A0A077ZAK6_TRITR Loading...

Proteasome subunit alpha type

The proteasome is a multicatalytic proteinase complex which is characterized by its ability to cleave peptides with Arg, Phe, Tyr, Leu, and Glu adjacent to the leaving group at neutral or slightly basic pH. The proteasome has an ATP-dependent proteolytic activity.

AlphaFold DB , UniProt , Accession A0A077ZAK6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 258 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
1M55.9Low78.7Confident189 Ų189105.3 Ų105.393%0.93149%0.487SS*.  0-33.80-79.4169.1170.300111.2R3 Y4M1-R3 PolarHBondContact O-N 3.46Å; M1-Y4 PolarHBondContact O-N 3.01Å
2D68.4Low79.7Confident124 Ų12497 Ų9766%0.66345%0.45SS*.THydrogen-bonded Turntrans-55.1-1-172.6-48.96.6000119.3R6D2-R6 PolarHBondContact O-NE 3.17Å; D2-R6 VanDerWaalsContact O-NE 3.07Å
3R78.7Confident80.6Confident199 Ų19997.8 Ų97.875%0.75147%0.469SS*.THydrogen-bonded Turntrans-98.6-31.4-179.2-165.5175.3179.3179.9-0.5112.5M1M1-R3 PolarHBondContact O-N 3.46Å
4Y79.5Confident81.4Confident88 Ų8898.2 Ų98.235%0.34548%0.475SS..THydrogen-bonded Turntrans-93-15.8-170.7-59.8-77.8000113.3M1 I10 F11 P13M1-Y4 PolarHBondContact O-N 3.01Å; Y4-I10 HydrophobicContact CD1-CG2 3.71Å; Y4-I10 HydrophobicContact CG-CG2 4.44Å; Y4-F11 WeakPolarHBondContact CD1-O 2.93Å; Y4-P13 HydrophobicContact CD2-CG 4.42Å; Y4-P13 HydrophobicContact CE1-CG 4.24Å; Y4-P13 HydrophobicContact CE2-CG 3.72Å
5D80.6Confident82.1Confident36 Ų3694.9 Ų94.919%0.19348%0.477CS..SBendtrans-90.7-6.4179.466.3-16.3000114A7 F18 Q19 Y22D5-A7 VanDerWaalsContact C-N 3.31Å; D5-A7 PolarHBondContact O-N 2.58Å; D5-F18 HydrophobicContact CB-CB 3.98Å; D5-F18 HydrophobicContact CB-CD2 4Å; D5-F18 HydrophobicContact CB-CG 4.46Å; D5-Q19 PolarHBondContact O-NE2 3.24Å; D5-Y22 HydrophobicContact CB-CE2 3.88Å; D5-Y22 PolarHBondContact OD2-OH 3.4Å; D5-Y22 VanDerWaalsContact OD2-OH 3.1Å
6R81.4Confident82.7Confident207 Ų20793.9 Ų93.978%0.78147%0.47SS*.SBendtrans-68.8-26.9-177.1-66.2-172.4-179.5-160.1-4.5114.1D2D2-R6 PolarHBondContact O-NE 3.17Å; D2-R6 VanDerWaalsContact O-NE 3.07Å
7A80.1Confident83.2Confident37 Ų3790.6 Ų90.631%0.30645%0.454SS..SBendtrans-133.3155.5177.600000110.3D5 I10D5-A7 VanDerWaalsContact C-N 3.31Å; D5-A7 PolarHBondContact O-N 2.58Å; A7-I10 HydrophobicContact CB-CD1 3.64Å; A7-I10 HydrophobicContact CB-CG1 3.9Å
8I81.4Confident83.8Confident23 Ų2387 Ų8712%0.11844%0.435CS..THydrogen-bonded Turntrans-81-30.1-166-62164.7000111.1I10 Q19 T120 R125 P127I8-I10 VanDerWaalsContact C-N 3.35Å; I8-Q19 HydrophobicContact CB-CB 4.41Å; I8-Q19 HydrophobicContact CB-CG 4.42Å; I8-Q19 HydrophobicContact CG1-CB 4.05Å; I8-Q19 HydrophobicContact CG1-CG 3.79Å; I8-Q19 HydrophobicContact CG2-CB 4.33Å; I8-T120 WeakPolarHBondContact CG2-O 3.45Å; I8-R125 VanDerWaalsContact CD1-C 3.48Å; I8-R125 WeakPolarHBondContact CD1-O 2.84Å; I8-P127 HydrophobicContact CG2-CG 4.11Å
9T83Confident84.3Confident60 Ų6085.1 Ų85.137%0.36843%0.425SS..THydrogen-bonded Turntrans-95.612.8-177.3620000112.7
10I87Confident84.8Confident65 Ų6581.5 Ų81.533%0.33341%0.407SS..  trans-97.5115.7177.2-64.4178000108.2Y4 A7 I8Y4-I10 HydrophobicContact CD1-CG2 3.71Å; Y4-I10 HydrophobicContact CG-CG2 4.44Å; A7-I10 HydrophobicContact CB-CD1 3.64Å; A7-I10 HydrophobicContact CB-CG1 3.9Å; I8-I10 VanDerWaalsContact C-N 3.35Å
11F89.6Confident85.3Confident130 Ų13080.8 Ų80.857%0.5740%0.403SS*.  trans-74.2139.3168.8-68.9-89.9000109.9Y4 H16 L17Y4-F11 WeakPolarHBondContact CD1-O 2.93Å; F11-H16 WeakPolarHBondContact CA-O 3.23Å; F11-L17 HydrophobicContact CD1-CD2 3.71Å; F11-L17 HydrophobicContact CD1-CG 3.95Å; F11-L17 HydrophobicContact CD2-CD2 4.13Å; F11-L17 HydrophobicContact CE1-CD1 4.02Å; F11-L17 HydrophobicContact CE1-CD2 3.76Å; F11-L17 HydrophobicContact CE1-CG 3.71Å; F11-L17 HydrophobicContact CE2-CD2 4.16Å; F11-L17 HydrophobicContact CG-CD2 3.91Å; F11-L17 HydrophobicContact CZ-CD1 4.14Å; F11-L17 HydrophobicContact CZ-CD2 3.98Å; F11-L17 HydrophobicContact CZ-CG 4.2Å
12S90.4Very high87.2Confident6 Ų677 Ų774%0.04238%0.379CS..  trans-73.5164.3167.6630000111.1D14 G15 H16S12-D14 WeakPolarHBondContact CB-OD1 3.15Å; S12-D14 PolarHBondContact O-N 2.89Å; S12-D14 VanDerWaalsContact O-N 3.16Å; S12-D14 PolarHBondContact OG-OD1 2.96Å; S12-G15 PolarHBondContact O-N 3.45Å; S12-H16 PolarHBondContact N-O 3.33Å; S12-H16 WeakPolarHBondContact OG-CA 3.1Å; S12-H16 WeakPolarHBondContact OG-CB 3.37Å; S12-H16 PolarHBondContact OG-N 3.08Å; S12-H16 PolarHBondContact OG-O 2.93Å
13P91.5Very high88.5Confident107 Ų10771.5 Ų71.570%0.69535%0.351SS*.THydrogen-bonded Turntrans-58.8-25.5179.2-26.536.4000114.8Y4Y4-P13 HydrophobicContact CD2-CG 4.42Å; Y4-P13 HydrophobicContact CE1-CG 4.24Å; Y4-P13 HydrophobicContact CE2-CG 3.72Å
14D92.2Very high89.4Confident104 Ų10465.4 Ų65.456%0.55633%0.331SS*.THydrogen-bonded Turntrans-86.7-0.5174.952.6-24.3000113.5S12 H16S12-D14 WeakPolarHBondContact CB-OD1 3.15Å; S12-D14 PolarHBondContact O-N 2.89Å; S12-D14 VanDerWaalsContact O-N 3.16Å; S12-D14 PolarHBondContact OG-OD1 2.96Å; D14-H16 PolarHBondContact O-CD2 3.17Å; D14-H16 IonicContact OD1-CD2 3.07Å; D14-H16 IonicContact OD2-CD2 3.95Å; D14-H16 PolarHBondContact OD2-CD2 2.73Å; D14-H16 VanDerWaalsContact OD2-CD2 3.24Å; D14-H16 IonicContact OD2-NE2 2.61Å
15G91.6Very high90.2Very high49 Ų4965.4 Ų65.451%0.50533%0.334SS..SBendtrans89.613.1173.600000115.2S12S12-G15 PolarHBondContact O-N 3.45Å
16H92Very high91Very high79 Ų7964.9 Ų64.937%0.36634%0.335SS..  trans-91.9154.4-178.3-65.7-103.7000112.2F11 S12 D14 F18 E21F11-H16 WeakPolarHBondContact CA-O 3.23Å; S12-H16 PolarHBondContact N-O 3.33Å; S12-H16 WeakPolarHBondContact OG-CA 3.1Å; S12-H16 WeakPolarHBondContact OG-CB 3.37Å; S12-H16 PolarHBondContact OG-N 3.08Å; S12-H16 PolarHBondContact OG-O 2.93Å; D14-H16 PolarHBondContact O-CD2 3.17Å; D14-H16 IonicContact OD1-CD2 3.07Å; D14-H16 IonicContact OD2-CD2 3.95Å; D14-H16 PolarHBondContact OD2-CD2 2.73Å; D14-H16 VanDerWaalsContact OD2-CD2 3.24Å; D14-H16 IonicContact OD2-NE2 2.61Å; H16-F18 HydrophobicContact CB-CD1 4.23Å; H16-F18 HydrophobicContact CB-CE1 4.01Å; H16-E21 IonicContact CE1-OE1 3.42Å; H16-E21 IonicContact CG-OE1 3.91Å; H16-E21 IonicContact ND1-OE1 3.24Å; H16-E21 PolarHBondContact ND1-OE1 2.94Å
17L91.8Very high91.8Very high37 Ų3755.4 Ų55.419%0.19430%0.3CS..  trans-109.293.1169.3-69.6177.7000108.9F11 Q19 V20 E21F11-L17 HydrophobicContact CD1-CD2 3.71Å; F11-L17 HydrophobicContact CD1-CG 3.95Å; F11-L17 HydrophobicContact CD2-CD2 4.13Å; F11-L17 HydrophobicContact CE1-CD1 4.02Å; F11-L17 HydrophobicContact CE1-CD2 3.76Å; F11-L17 HydrophobicContact CE1-CG 3.71Å; F11-L17 HydrophobicContact CE2-CD2 4.16Å; F11-L17 HydrophobicContact CG-CD2 3.91Å; F11-L17 HydrophobicContact CZ-CD1 4.14Å; F11-L17 HydrophobicContact CZ-CD2 3.98Å; F11-L17 HydrophobicContact CZ-CG 4.2Å; L17-Q19 PolarHBondContact O-N 3.19Å; L17-Q19 VanDerWaalsContact O-N 3.11Å; L17-V20 HydrophobicContact CB-CB 4.31Å; L17-V20 HydrophobicContact CB-CG2 3.99Å; L17-V20 HydrophobicContact CD1-CG2 4.4Å; L17-V20 WeakPolarHBondContact O-CB 3.25Å; L17-V20 PolarHBondContact O-N 3.05Å; L17-E21 PolarHBondContact O-N 3.35Å
18F92.8Very high92.6Very high26 Ų2658.9 Ų58.911%0.11431%0.308CS..Hα-helixtrans-57.3-32.2-172.9-64.6-36.3000113.9D5 H16 V20 E21 Y22D5-F18 HydrophobicContact CB-CB 3.98Å; D5-F18 HydrophobicContact CB-CD2 4Å; D5-F18 HydrophobicContact CB-CG 4.46Å; H16-F18 HydrophobicContact CB-CD1 4.23Å; H16-F18 HydrophobicContact CB-CE1 4.01Å; F18-V20 VanDerWaalsContact C-N 3.27Å; F18-V20 PolarHBondContact O-N 3.49Å; F18-E21 PolarHBondContact O-N 2.98Å; F18-Y22 HydrophobicContact CB-CE1 4.35Å; F18-Y22 HydrophobicContact CB-CE2 4.37Å; F18-Y22 WeakPolarHBondContact O-CB 3.25Å; F18-Y22 WeakPolarHBondContact O-CD1 3.45Å; F18-Y22 PolarHBondContact O-N 3.44Å
19Q93.5Very high93.2Very high51 Ų5165.9 Ų65.924%0.23834%0.337CS..Hα-helixtrans-65.2-29.7176.5-72.3-68.7-33.400113.2D5 I8 L17 A23 P127D5-Q19 PolarHBondContact O-NE2 3.24Å; I8-Q19 HydrophobicContact CB-CB 4.41Å; I8-Q19 HydrophobicContact CB-CG 4.42Å; I8-Q19 HydrophobicContact CG1-CB 4.05Å; I8-Q19 HydrophobicContact CG1-CG 3.79Å; I8-Q19 HydrophobicContact CG2-CB 4.33Å; L17-Q19 PolarHBondContact O-N 3.19Å; L17-Q19 VanDerWaalsContact O-N 3.11Å; Q19-A23 PolarHBondContact O-N 2.93Å; Q19-P127 HydrophobicContact CB-CG 4.21Å
20V94.9Very high93.8Very high13 Ų1363.4 Ų63.48%0.07932%0.324CS..Hα-helixtrans-75.4-40.7174179.40000110.3L17 F18 A23 Q24 T120 P127L17-V20 HydrophobicContact CB-CB 4.31Å; L17-V20 HydrophobicContact CB-CG2 3.99Å; L17-V20 HydrophobicContact CD1-CG2 4.4Å; L17-V20 WeakPolarHBondContact O-CB 3.25Å; L17-V20 PolarHBondContact O-N 3.05Å; F18-V20 VanDerWaalsContact C-N 3.27Å; F18-V20 PolarHBondContact O-N 3.49Å; V20-A23 WeakPolarHBondContact O-CB 3.43Å; V20-A23 PolarHBondContact O-N 2.82Å; V20-Q24 WeakPolarHBondContact O-CG 3.41Å; V20-Q24 PolarHBondContact O-N 2.86Å; V20-T120 HydrophobicContact CG2-CG2 3.77Å; V20-P127 HydrophobicContact CG2-CG 4.38Å
21E94.9Very high94.2Very high66 Ų6660.9 Ų60.931%0.30831%0.312SS..Hα-helixtrans-64.4-42176.6-61.8-173.8164.400111.8H16 L17 F18 A23 Q24 E25H16-E21 IonicContact CE1-OE1 3.42Å; H16-E21 IonicContact CG-OE1 3.91Å; H16-E21 IonicContact ND1-OE1 3.24Å; H16-E21 PolarHBondContact ND1-OE1 2.94Å; L17-E21 PolarHBondContact O-N 3.35Å; F18-E21 PolarHBondContact O-N 2.98Å; E21-A23 VanDerWaalsContact C-N 3.27Å; E21-A23 PolarHBondContact O-N 2.97Å; E21-Q24 CarbonylContact O-C 3.57Å; E21-Q24 WeakPolarHBondContact O-CB 3.24Å; E21-Q24 PolarHBondContact O-N 3.2Å; E21-Q24 VanDerWaalsContact O-N 3.09Å; E21-E25 PolarHBondContact O-N 2.77Å
22Y95.3Very high94.5Very high109 Ų10954.7 Ų54.743%0.42729%0.285SS..Hα-helixtrans-61.2-36.8174.1-63.5-12.3000112D5 F18 E25 A26D5-Y22 HydrophobicContact CB-CE2 3.88Å; D5-Y22 PolarHBondContact OD2-OH 3.4Å; D5-Y22 VanDerWaalsContact OD2-OH 3.1Å; F18-Y22 HydrophobicContact CB-CE1 4.35Å; F18-Y22 HydrophobicContact CB-CE2 4.37Å; F18-Y22 WeakPolarHBondContact O-CB 3.25Å; F18-Y22 WeakPolarHBondContact O-CD1 3.45Å; F18-Y22 PolarHBondContact O-N 3.44Å; Y22-E25 PolarHBondContact O-N 2.95Å; Y22-A26 PolarHBondContact O-N 2.91Å; Y22-A26 VanDerWaalsContact O-N 3.09Å
23A96.7Very high94.9Very high9 Ų954.4 Ų54.47%0.07428%0.283CS..Hα-helixtrans-66-39.5173.700000111.9Q19 V20 E21 A26 V27 P127 P150Q19-A23 PolarHBondContact O-N 2.93Å; V20-A23 WeakPolarHBondContact O-CB 3.43Å; V20-A23 PolarHBondContact O-N 2.82Å; E21-A23 VanDerWaalsContact C-N 3.27Å; E21-A23 PolarHBondContact O-N 2.97Å; A23-A26 WeakPolarHBondContact O-CB 3.18Å; A23-A26 PolarHBondContact O-N 3.36Å; A23-V27 PolarHBondContact O-N 3Å; A23-P127 HydrophobicContact CB-CB 4.09Å; A23-P150 HydrophobicContact CB-CB 3.81Å; A23-P150 HydrophobicContact CB-CG 4.3Å
24Q96.7Very high95.2Very high71 Ų7149.3 Ų49.333%0.33225%0.25SS..Hα-helixtrans-65.1-36.5173-69.4175.7-17.800112.2V20 E21 A26 V27 K28 P150V20-Q24 WeakPolarHBondContact O-CG 3.41Å; V20-Q24 PolarHBondContact O-N 2.86Å; E21-Q24 CarbonylContact O-C 3.57Å; E21-Q24 WeakPolarHBondContact O-CB 3.24Å; E21-Q24 PolarHBondContact O-N 3.2Å; E21-Q24 VanDerWaalsContact O-N 3.09Å; Q24-A26 VanDerWaalsContact C-N 3.29Å; Q24-A26 PolarHBondContact O-N 3.27Å; Q24-V27 WeakPolarHBondContact O-CB 3.49Å; Q24-V27 PolarHBondContact O-N 3.34Å; Q24-V27 VanDerWaalsContact O-N 3.13Å; Q24-K28 PolarHBondContact O-N 2.86Å; Q24-P150 HydrophobicContact CG-CB 4.38Å; Q24-P150 HydrophobicContact CG-CG 4.18Å
25E97Very high95.5Very high88 Ų8844.4 Ų44.441%0.41122%0.224SC..Hα-helixtrans-63.6-34.4172.5-72-54.3125.900112.4E21 Y22 V27 K28 K29E21-E25 PolarHBondContact O-N 2.77Å; Y22-E25 PolarHBondContact O-N 2.95Å; E25-V27 VanDerWaalsContact C-N 3.31Å; E25-V27 PolarHBondContact O-N 3.4Å; E25-K28 PolarHBondContact O-N 2.83Å; E25-K28 WeakPolarHBondContact OE1-CD 3.34Å; E25-K28 WeakPolarHBondContact OE1-CE 3.48Å; E25-K28 IonicContact OE1-NZ 2.73Å; E25-K28 PolarHBondContact OE1-NZ 3.37Å; E25-K29 PolarHBondContact O-N 3.13Å
26A97.1Very high95.8Very high25 Ų2542.1 Ų42.121%0.20720%0.2CC..Hα-helixtrans-64.4-35.9172.600000112.1Y22 A23 Q24 K29Y22-A26 PolarHBondContact O-N 2.91Å; Y22-A26 VanDerWaalsContact O-N 3.09Å; A23-A26 WeakPolarHBondContact O-CB 3.18Å; A23-A26 PolarHBondContact O-N 3.36Å; Q24-A26 VanDerWaalsContact C-N 3.29Å; Q24-A26 PolarHBondContact O-N 3.27Å; A26-K29 PolarHBondContact O-N 3.36Å
27V97.8Very high96.1Very high8 Ų840.2 Ų40.25%0.04819%0.191CC..Hα-helixtrans-62.6-42.7174.6175.10000111.2A23 Q24 E25 K29 G30 A75 S131 P150 T162 G163A23-V27 PolarHBondContact O-N 3Å; Q24-V27 WeakPolarHBondContact O-CB 3.49Å; Q24-V27 PolarHBondContact O-N 3.34Å; Q24-V27 VanDerWaalsContact O-N 3.13Å; E25-V27 VanDerWaalsContact C-N 3.31Å; E25-V27 PolarHBondContact O-N 3.4Å; V27-K29 PolarHBondContact O-N 3.02Å; V27-G30 WeakPolarHBondContact O-CA 2.81Å; V27-G30 PolarHBondContact O-N 2.96Å; V27-A75 HydrophobicContact CG1-CB 4.11Å; V27-S131 VanDerWaalsContact CG1-CB 3.45Å; V27-P150 HydrophobicContact CG2-CG 3.86Å; V27-T162 WeakPolarHBondContact CG1-OG1 3.31Å; V27-G163 WeakPolarHBondContact O-CA 3.47Å
28K96.8Very high96.3Very high111 Ų11138.9 Ų38.948%0.48319%0.186SC..Hα-helixtrans-62.7-23-179.9-67.4177-174.2171.30113.5Q24 E25 G30 R164Q24-K28 PolarHBondContact O-N 2.86Å; E25-K28 PolarHBondContact O-N 2.83Å; E25-K28 WeakPolarHBondContact OE1-CD 3.34Å; E25-K28 WeakPolarHBondContact OE1-CE 3.48Å; E25-K28 IonicContact OE1-NZ 2.73Å; E25-K28 PolarHBondContact OE1-NZ 3.37Å; K28-G30 VanDerWaalsContact C-N 3.29Å; K28-R164 WeakPolarHBondContact O-CA 3.4Å; K28-R164 VanDerWaalsContact O-CB 3.26Å; K28-R164 WeakPolarHBondContact O-CB 3.43Å; K28-R164 PolarHBondContact O-N 3.33Å
29K95.1Very high96.2Very high169 Ų16945.1 Ų45.174%0.73521%0.213SC*.THydrogen-bonded Turntrans-83.3-8.2173-63175.6-175.91760112.9E25 A26 V27E25-K29 PolarHBondContact O-N 3.13Å; A26-K29 PolarHBondContact O-N 3.36Å; V27-K29 PolarHBondContact O-N 3.02Å
30G94.9Very high96.1Very high8 Ų846.4 Ų46.48%0.08222%0.221CC..SBendtrans-75.4166.8-175.300000114.8V27 K28 R164V27-G30 WeakPolarHBondContact O-CA 2.81Å; V27-G30 PolarHBondContact O-N 2.96Å; K28-G30 VanDerWaalsContact C-N 3.29Å; G30-R164 PolarHBondContact O-N 2.83Å; G30-R164 VanDerWaalsContact O-N 3.16Å
31S95.1Very high96Very high13 Ų1346 Ų469%0.09122%0.219CC..PPolyproline II helixtrans-46.5137.3164.758.30000114.4A33 E47 K49 K62 A75 G163S31-A33 PolarHBondContact O-N 3.38Å; S31-E47 WeakPolarHBondContact CB-OE2 3.38Å; S31-K49 WeakPolarHBondContact OG-CE 3.47Å; S31-K62 PolarHBondContact OG-NZ 3.04Å; S31-A75 WeakPolarHBondContact O-CB 2.99Å; S31-G163 WeakPolarHBondContact O-CA 3.39Å
32V97.4Very high96.1Very high0 Ų042.9 Ų42.90%021%0.205CC..PPolyproline II helixtrans-68.1134.8166.3-178.70000110.8I34 E47 T162 R164 I169 L196 V199V32-I34 HydrophobicContact CG1-CD1 4.2Å; V32-I34 HydrophobicContact CG1-CG1 3.83Å; V32-E47 HydrophobicContact CB-CB 4.12Å; V32-E47 PolarHBondContact N-OE2 3Å; V32-E47 VanDerWaalsContact N-OE2 3.08Å; V32-E47 PolarHBondContact O-N 2.91Å; V32-T162 WeakPolarHBondContact CA-O 3.17Å; V32-R164 HydrophobicContact CG2-CG 3.64Å; V32-R164 VanDerWaalsContact CG2-O 3.3Å; V32-R164 WeakPolarHBondContact CG2-O 3.34Å; V32-I169 HydrophobicContact CB-CD1 4.38Å; V32-I169 HydrophobicContact CG1-CD1 3.39Å; V32-I169 HydrophobicContact CG2-CD1 4.08Å; V32-L196 HydrophobicContact CB-CD2 4.02Å; V32-L196 HydrophobicContact CG1-CD2 3.61Å; V32-V199 HydrophobicContact CG2-CG2 4.14Å
33A97.6Very high96.2Very high0 Ų037.8 Ų37.80%019%0.185CC..EExtended strand (participates in β ladder)trans-130.9133.4167.100000109S31 V46 A73 I133 C161 T162S31-A33 PolarHBondContact O-N 3.38Å; A33-V46 HydrophobicContact CB-CB 4.47Å; A33-V46 HydrophobicContact CB-CG1 3.78Å; A33-A73 HydrophobicContact CB-CB 4.05Å; A33-I133 HydrophobicContact CB-CD1 4.27Å; A33-I133 WeakPolarHBondContact O-CD1 3.29Å; A33-C161 CarbonylContact O-C 3.57Å; A33-C161 WeakPolarHBondContact O-CA 3.34Å; A33-T162 HydrophobicContact CB-CG2 4.04Å; A33-T162 PolarHBondContact N-O 2.65Å; A33-T162 PolarHBondContact O-N 2.62Å
34I98.3Very high96.3Very high0 Ų037.3 Ų37.30%018%0.181CC..EExtended strand (participates in β ladder)trans-124.9138.7-177.3-53-172000108.7V32 V36 L44 A45 N160 C161 I169 L173 A195 L196V32-I34 HydrophobicContact CG1-CD1 4.2Å; V32-I34 HydrophobicContact CG1-CG1 3.83Å; I34-V36 HydrophobicContact CG2-CG2 4.25Å; I34-L44 CarbonylContact O-C 3.59Å; I34-L44 WeakPolarHBondContact O-CA 3.33Å; I34-A45 PolarHBondContact N-O 2.76Å; I34-A45 PolarHBondContact O-N 3.27Å; I34-N160 WeakPolarHBondContact CA-O 3.42Å; I34-C161 HydrophobicContact CG1-CB 3.95Å; I34-I169 HydrophobicContact CD1-CD1 4.46Å; I34-I169 HydrophobicContact CD1-CG2 3.61Å; I34-I169 HydrophobicContact CG1-CG2 4.27Å; I34-L173 HydrophobicContact CG2-CD1 4.16Å; I34-A195 HydrophobicContact CD1-CB 3.56Å; I34-A195 HydrophobicContact CG2-CB 4.5Å; I34-L196 HydrophobicContact CD1-CB 4.41Å; I34-L196 HydrophobicContact CD1-CD2 3.8Å; I34-L196 HydrophobicContact CD1-CG 3.7Å; I34-L196 HydrophobicContact CG1-CD2 4.09Å; I34-L196 HydrophobicContact CG1-CG 4.31Å
35G98.4Very high96.3Very high0 Ų034 Ų340%017%0.166CC..EExtended strand (participates in β ladder)trans-121.7138.9168.900000111.7V43 L145 A159 N160G35-V43 CarbonylContact C-O 3.5Å; G35-V43 WeakPolarHBondContact CA-O 3.36Å; G35-L145 VanDerWaalsContact C-CD2 3.48Å; G35-L145 WeakPolarHBondContact O-CD2 3.28Å; G35-A159 CarbonylContact O-C 3.54Å; G35-A159 VanDerWaalsContact O-CA 3.22Å; G35-A159 WeakPolarHBondContact O-CA 3.29Å; G35-N160 PolarHBondContact N-O 3.39Å; G35-N160 PolarHBondContact O-N 3.09Å
36V98.4Very high96.2Very high1 Ų129.8 Ų29.81%0.00615%0.146CC..EExtended strand (participates in β ladder)trans-131119.5178.5-178.10000109I34 V42 V43 A159 Y177 C188 L191I34-V36 HydrophobicContact CG2-CG2 4.25Å; V36-V42 WeakPolarHBondContact O-CA 3.29Å; V36-V43 PolarHBondContact N-O 3.08Å; V36-V43 PolarHBondContact O-N 3.02Å; V36-A159 HydrophobicContact CG2-CB 4.42Å; V36-Y177 HydrophobicContact CG1-CD2 4.46Å; V36-Y177 HydrophobicContact CG1-CE2 4.24Å; V36-C188 HydrophobicContact CB-CB 4.46Å; V36-C188 HydrophobicContact CG1-CB 3.99Å; V36-L191 HydrophobicContact CG1-CD2 4.01Å
37K98Very high96.1Very high40 Ų4029.4 Ų29.417%0.17414%0.14CC..EExtended strand (participates in β ladder)trans-88.6119.7173.8-177.9166.665.31750109.8P143 L145 E156 R158 Y177K37-P143 HydrophobicContact CD-CB 4.32Å; K37-P143 HydrophobicContact CD-CG 4.15Å; K37-P143 WeakPolarHBondContact CD-O 3.31Å; K37-P143 HydrophobicContact CG-CB 4.04Å; K37-P143 HydrophobicContact CG-CG 3.9Å; K37-L145 HydrophobicContact CB-CB 4.4Å; K37-E156 IonicContact NZ-OE1 2.87Å; K37-E156 PolarHBondContact NZ-OE1 3.28Å; K37-R158 WeakPolarHBondContact CA-O 3.47Å; K37-R158 WeakPolarHBondContact CB-O 3.37Å; K37-R158 PolarHBondContact N-O 3.13Å; K37-Y177 WeakPolarHBondContact O-CE2 3.34Å; K37-Y177 PolarHBondContact O-OH 3.43Å
38G96Very high95.7Very high9 Ų930.5 Ų30.59%0.09314%0.144CC..  trans-95.1-167.6169.300000112.4C41 P143 C182 C188G38-C41 WeakPolarHBondContact CA-O 3.31Å; G38-C41 PolarHBondContact N-O 3.08Å; G38-P143 VanDerWaalsContact O-CG 3.29Å; G38-P143 WeakPolarHBondContact O-CG 3.4Å; G38-C182 VanDerWaalsContact CA-O 3.31Å; G38-C182 WeakPolarHBondContact CA-O 3.27Å; G38-C188 WeakPolarHBondContact CA-SG 3.32Å
39K91.3Very high95Very high157 Ų15731.1 Ų31.168%0.68315%0.147SC*.SBendtrans-66.5-50.1-179.9-173.6176-179174.50113.6C182K39-C182 PolarHBondContact N-O 2.79Å
40N90.1Very high94.1Very high78 Ų7831.6 Ų31.642%0.41715%0.154SC..SBendtrans-128.921.2-177.9-59.1-35.1000111.9Y214N40-Y214 PolarHBondContact O-N 3Å
41C94.3Very high93.3Very high5 Ų533.2 Ų33.23%0.03416%0.16CC..EExtended strand (participates in β ladder)trans-152.6164-177.667.10000111.3G38 P143 S185 V212G38-C41 WeakPolarHBondContact CA-O 3.31Å; G38-C41 PolarHBondContact N-O 3.08Å; C41-P143 WeakPolarHBondContact O-CB 3.38Å; C41-S185 VanDerWaalsContact SG-CA 3.53Å; C41-V212 CarbonylContact C-O 3.59Å; C41-V212 WeakPolarHBondContact CA-O 3.22Å; C41-V212 WeakPolarHBondContact CB-O 3.45Å
42V97.2Very high92.8Very high0 Ų035.6 Ų35.60%018%0.181CC..EExtended strand (participates in β ladder)trans-136.4139.9168.661.70000108.6V36 A135 V137 P143 L145 V212V36-V42 WeakPolarHBondContact O-CA 3.29Å; V42-A135 HydrophobicContact CB-CB 4.43Å; V42-A135 HydrophobicContact CG1-CB 3.89Å; V42-A135 HydrophobicContact CG2-CB 3.66Å; V42-V137 HydrophobicContact CG1-CG2 4.38Å; V42-P143 HydrophobicContact CB-CB 4.43Å; V42-L145 HydrophobicContact CG2-CB 4.24Å; V42-L145 HydrophobicContact CG2-CD1 4.08Å; V42-V212 HydrophobicContact CG1-CB 3.91Å; V42-V212 HydrophobicContact CG1-CG2 4.44Å; V42-V212 PolarHBondContact N-O 3.4Å; V42-V212 PolarHBondContact O-N 3.26Å
43V96.9Very high92.3Very high1 Ų146 Ų461%0.00623%0.226CC..EExtended strand (participates in β ladder)trans-119.9133.7-179.4-176.80000109.5G35 V36 C188 L189 C210 I211G35-V43 CarbonylContact C-O 3.5Å; G35-V43 WeakPolarHBondContact CA-O 3.36Å; V36-V43 PolarHBondContact N-O 3.08Å; V36-V43 PolarHBondContact O-N 3.02Å; V43-C188 HydrophobicContact CB-CB 4.28Å; V43-C188 HydrophobicContact CG2-CB 3.59Å; V43-L189 HydrophobicContact CG1-CB 4.21Å; V43-L189 HydrophobicContact CG1-CD1 3.97Å; V43-C210 WeakPolarHBondContact CA-O 3.49Å; V43-I211 HydrophobicContact CG1-CG1 4.3Å; V43-I211 HydrophobicContact CG2-CG1 3.99Å; V43-I211 HydrophobicContact CG2-CG2 4.47Å
44L97.8Very high92.1Very high0 Ų054.3 Ų54.30%027%0.269CS..EExtended strand (participates in β ladder)trans-105.3129.6164.5-63.6-172.8000109.1I34 I63 I71 A73 I133 A135 L145 A209 C210I34-L44 CarbonylContact O-C 3.59Å; I34-L44 WeakPolarHBondContact O-CA 3.33Å; L44-I63 HydrophobicContact CB-CD1 4Å; L44-I63 HydrophobicContact CD1-CG2 4.37Å; L44-I71 HydrophobicContact CB-CD1 4.16Å; L44-I71 HydrophobicContact CD1-CB 4.4Å; L44-I71 HydrophobicContact CD1-CD1 3.56Å; L44-I71 HydrophobicContact CD1-CG1 3.66Å; L44-I71 HydrophobicContact CG-CD1 3.67Å; L44-I71 HydrophobicContact CG-CG1 4.2Å; L44-A73 HydrophobicContact CD1-CB 3.73Å; L44-I133 HydrophobicContact CD2-CB 4.47Å; L44-I133 HydrophobicContact CD2-CG2 3.59Å; L44-A135 HydrophobicContact CD1-CB 4.09Å; L44-A135 HydrophobicContact CD2-CB 3.81Å; L44-A135 HydrophobicContact CG-CB 3.94Å; L44-L145 HydrophobicContact CD2-CD1 4.18Å; L44-A209 CarbonylContact O-C 3.56Å; L44-A209 WeakPolarHBondContact O-CA 3.13Å; L44-C210 PolarHBondContact N-O 3.3Å; L44-C210 PolarHBondContact O-N 2.99Å
45A96.2Very high91.5Very high1 Ų158.9 Ų58.91%0.00829%0.291CS..EExtended strand (participates in β ladder)trans-125.8123.4172.900000108.7I34 L196I34-A45 PolarHBondContact N-O 2.76Å; I34-A45 PolarHBondContact O-N 3.27Å; A45-L196 HydrophobicContact CB-CD1 3.9Å
46V95.9Very high90.9Very high0 Ų064.7 Ų64.70%032%0.318CS..EExtended strand (participates in β ladder)trans-127.1144.1-173.5-530000111.3A33 K48 K62 I63 A73 V207 E208A33-V46 HydrophobicContact CB-CB 4.47Å; A33-V46 HydrophobicContact CB-CG1 3.78Å; V46-K48 PolarHBondContact O-N 3.21Å; V46-K62 HydrophobicContact CB-CB 4.39Å; V46-K62 HydrophobicContact CB-CD 4.39Å; V46-K62 HydrophobicContact CG2-CB 3.84Å; V46-K62 HydrophobicContact CG2-CD 4.32Å; V46-I63 HydrophobicContact CG1-CD1 4.23Å; V46-I63 HydrophobicContact CG1-CG1 3.89Å; V46-I63 HydrophobicContact CG2-CD1 4.18Å; V46-I63 HydrophobicContact CG2-CG1 3.92Å; V46-A73 HydrophobicContact CG1-CB 3.69Å; V46-V207 WeakPolarHBondContact O-CA 3.29Å; V46-E208 HydrophobicContact CG2-CB 3.66Å; V46-E208 HydrophobicContact CG2-CG 4.13Å; V46-E208 WeakPolarHBondContact CG2-O 3.26Å; V46-E208 PolarHBondContact N-O 2.84Å; V46-E208 PolarHBondContact O-N 2.99Å
47E94.7Very high90Very high16 Ų1669.4 Ų69.48%0.07534%0.34CS..EExtended strand (participates in β ladder)trans-67.5120.9169.9173.5-174.4-169.300109.1S31 V32 K62 R164 L196 I200S31-E47 WeakPolarHBondContact CB-OE2 3.38Å; V32-E47 HydrophobicContact CB-CB 4.12Å; V32-E47 PolarHBondContact N-OE2 3Å; V32-E47 VanDerWaalsContact N-OE2 3.08Å; V32-E47 PolarHBondContact O-N 2.91Å; E47-K62 PolarHBondContact O-NZ 2.96Å; E47-R164 IonicContact OE1-CZ 3.04Å; E47-R164 IonicContact OE1-NE 3.71Å; E47-R164 PolarHBondContact OE1-NE 3.42Å; E47-R164 IonicContact OE1-NH2 3.8Å; E47-R164 PolarHBondContact OE1-NH2 3.02Å; E47-R164 IonicContact OE2-CZ 3.18Å; E47-R164 IonicContact OE2-NE 3.82Å; E47-R164 PolarHBondContact OE2-NE 2.61Å; E47-R164 IonicContact OE2-NH2 3.45Å; E47-L196 HydrophobicContact CB-CD2 4.4Å; E47-I200 HydrophobicContact CB-CD1 4.34Å; E47-I200 HydrophobicContact CG-CD1 4.21Å; E47-I200 HydrophobicContact CG-CG2 4.28Å
48K88.8Confident89.2Confident32 Ų3276.5 Ų76.514%0.13937%0.365CS..PPolyproline II helixtrans-96.2116.7168.1-169.1175.2-174.2174.90108.5V46 E57 S206V46-K48 PolarHBondContact O-N 3.21Å; K48-E57 WeakPolarHBondContact CE-OE1 3.4Å; K48-E57 VanDerWaalsContact NZ-CD 3.32Å; K48-E57 IonicContact NZ-OE1 3.48Å; K48-E57 PolarHBondContact NZ-OE1 2.94Å; K48-S206 PolarHBondContact N-O 2.85Å; K48-S206 WeakPolarHBondContact O-CA 3.35Å
49K83Confident88.5Confident124 Ų12480.4 Ų80.454%0.53939%0.387SS..PPolyproline II helixtrans-65.7140.8174.6-74.8-169.9174.1-176.20109S31 I51S31-K49 WeakPolarHBondContact OG-CE 3.47Å; K49-I51 WeakPolarHBondContact O-CG1 3.31Å; K49-I51 PolarHBondContact O-N 3.28Å
50M76.5Confident87.9Confident179 Ų17974.9 Ų74.988%0.88237%0.367SS*.PPolyproline II helixtrans-53.5125.3172.6-68.4-166-59.500109.6
51I78.3Confident87.6Confident42 Ų4278.6 Ų78.622%0.21538%0.375CS..PPolyproline II helixtrans-86.1137.1-177.8-62-178.6000107.1K49 Q55 E57 V60K49-I51 WeakPolarHBondContact O-CG1 3.31Å; K49-I51 PolarHBondContact O-N 3.28Å; I51-Q55 HydrophobicContact CG2-CB 3.43Å; I51-Q55 VanDerWaalsContact CG2-CB 3.43Å; I51-Q55 HydrophobicContact CG2-CG 3.47Å; I51-Q55 VanDerWaalsContact CG2-CG 3.47Å; I51-Q55 WeakPolarHBondContact CG2-O 3.44Å; I51-E57 HydrophobicContact CD1-CB 3.97Å; I51-E57 HydrophobicContact CD1-CG 3.84Å; I51-V60 HydrophobicContact CD1-CB 3.8Å; I51-V60 HydrophobicContact CD1-CG1 4.47Å; I51-V60 HydrophobicContact CD1-CG2 3.84Å; I51-V60 HydrophobicContact CG1-CG2 4.33Å
52A84.7Confident87.4Confident63 Ų6379.2 Ų79.252%0.52138%0.377SS..PPolyproline II helixtrans-59.1146.7176.100000109.6L54 Q55A52-L54 PolarHBondContact O-N 3.23Å; A52-Q55 HydrophobicContact CB-CB 4.39Å; A52-Q55 PolarHBondContact O-N 3.33Å
53K86.3Confident87.3Confident218 Ų21879.8 Ų79.895%0.94838%0.38SS*.THydrogen-bonded Turntrans-53.2-26.1-177.6-66.9-174.9179.2-177.80114.4
54L92.7Very high87.2Confident175 Ų17581.1 Ų81.192%0.91639%0.387SS*.THydrogen-bonded Turntrans-92.5-4.6-179.8-58.9177.8000113.7A52A52-L54 PolarHBondContact O-N 3.23Å
55Q86.8Confident87Confident96 Ų9686 Ų8645%0.44941%0.408SS..SBendtrans-98.8128.8-179.3177.2179.115.100110I51 A52 E57I51-Q55 HydrophobicContact CG2-CB 3.43Å; I51-Q55 VanDerWaalsContact CG2-CB 3.43Å; I51-Q55 HydrophobicContact CG2-CG 3.47Å; I51-Q55 VanDerWaalsContact CG2-CG 3.47Å; I51-Q55 WeakPolarHBondContact CG2-O 3.44Å; A52-Q55 HydrophobicContact CB-CB 4.39Å; A52-Q55 PolarHBondContact O-N 3.33Å; Q55-E57 PolarHBondContact O-N 2.97Å
56E85.4Confident87Confident121 Ų12186.3 Ų86.357%0.56541%0.41SS*.  trans-68116.4178.3-73.8-64.6150.400111.6R58 T59E56-R58 VanDerWaalsContact C-N 3.26Å; E56-R58 HydrophobicContact CB-CG 4.44Å; E56-R58 PolarHBondContact O-N 3.48Å; E56-T59 HydrophobicContact CB-CG2 3.9Å; E56-T59 WeakPolarHBondContact O-CB 3.46Å; E56-T59 PolarHBondContact O-N 3.22Å; E56-T59 VanDerWaalsContact O-N 3.1Å; E56-T59 PolarHBondContact O-OG1 3.21Å
57E80.2Confident86.9Confident100 Ų10086.8 Ų86.847%0.46741%0.412SS..G310 helixtrans-58-37.7-173.6174.5166.9-162.100113.4K48 I51 Q55 T59 V60K48-E57 WeakPolarHBondContact CE-OE1 3.4Å; K48-E57 VanDerWaalsContact NZ-CD 3.32Å; K48-E57 IonicContact NZ-OE1 3.48Å; K48-E57 PolarHBondContact NZ-OE1 2.94Å; I51-E57 HydrophobicContact CD1-CB 3.97Å; I51-E57 HydrophobicContact CD1-CG 3.84Å; Q55-E57 PolarHBondContact O-N 2.97Å; E57-T59 PolarHBondContact O-N 2.83Å; E57-V60 PolarHBondContact O-N 3.01Å
58R80.3Confident86.8Confident190 Ų19090.4 Ų90.472%0.71743%0.429SS*.G310 helixtrans-60.2-17.5-179.667.9-176.4-179110-0.1114.5E56 R61E56-R58 VanDerWaalsContact C-N 3.26Å; E56-R58 HydrophobicContact CB-CG 4.44Å; E56-R58 PolarHBondContact O-N 3.48Å; R58-R61 PolarHBondContact O-NE 3.19Å
59T80.6Confident87Confident90 Ų9089 Ų8955%0.55242%0.423SS*.G310 helixtrans-86-17.5-177.167.60000113.4E56 E57E56-T59 HydrophobicContact CB-CG2 3.9Å; E56-T59 WeakPolarHBondContact O-CB 3.46Å; E56-T59 PolarHBondContact O-N 3.22Å; E56-T59 VanDerWaalsContact O-N 3.1Å; E56-T59 PolarHBondContact O-OG1 3.21Å; E57-T59 PolarHBondContact O-N 2.83Å
60V79.4Confident87.6Confident42 Ų4283 Ų8326%0.25540%0.397SS..  trans-102101.4-179.4-175.10000108.8I51 E57I51-V60 HydrophobicContact CD1-CB 3.8Å; I51-V60 HydrophobicContact CD1-CG1 4.47Å; I51-V60 HydrophobicContact CD1-CG2 3.84Å; I51-V60 HydrophobicContact CG1-CG2 4.33Å; E57-V60 PolarHBondContact O-N 3.01Å
61R82.8Confident88.6Confident155 Ų15574.6 Ų74.659%0.58536%0.356SS*.  trans-122.9137.7176.2-60.4-176.7-173.6-170.4-4.4109.8R58R58-R61 PolarHBondContact O-NE 3.19Å
62K90.4Very high89.6Confident18 Ų1872.7 Ų72.78%0.07835%0.346CS..SBendtrans-111.4-29.8172.1-82.3-172179.61710112.7S31 V46 E47 N64 A73 F74 E208S31-K62 PolarHBondContact OG-NZ 3.04Å; V46-K62 HydrophobicContact CB-CB 4.39Å; V46-K62 HydrophobicContact CB-CD 4.39Å; V46-K62 HydrophobicContact CG2-CB 3.84Å; V46-K62 HydrophobicContact CG2-CD 4.32Å; E47-K62 PolarHBondContact O-NZ 2.96Å; K62-N64 PolarHBondContact O-ND2 3.47Å; K62-A73 WeakPolarHBondContact O-CA 3.38Å; K62-F74 HydrophobicContact CG-CZ 4.46Å; K62-E208 PolarHBondContact N-OE2 2.98Å
63I95.1Very high90.2Very high12 Ų1269.7 Ų69.76%0.06232%0.321CS..  trans-87.2119.9172-51.3-179000108.6L44 V46 I71 A73 E208 C210L44-I63 HydrophobicContact CB-CD1 4Å; L44-I63 HydrophobicContact CD1-CG2 4.37Å; V46-I63 HydrophobicContact CG1-CD1 4.23Å; V46-I63 HydrophobicContact CG1-CG1 3.89Å; V46-I63 HydrophobicContact CG2-CD1 4.18Å; V46-I63 HydrophobicContact CG2-CG1 3.92Å; I63-I71 HydrophobicContact CG2-CB 4.22Å; I63-I71 HydrophobicContact CG2-CD1 4.27Å; I63-A73 HydrophobicContact CG1-CB 4.45Å; I63-E208 HydrophobicContact CD1-CG 3.97Å; I63-E208 HydrophobicContact CG1-CG 4.21Å; I63-E208 PolarHBondContact N-OE2 2.62Å; I63-C210 HydrophobicContact CD1-CB 3.67Å; I63-C210 HydrophobicContact CG2-CB 3.74Å
64N94.6Very high90.7Very high29 Ų2959.8 Ų59.816%0.15528%0.278CS..EExtended strand (participates in β ladder)trans-116.4125.2-178.6-68.4-85.1000109.8K62 I66 I71 M72 T85K62-N64 PolarHBondContact O-ND2 3.47Å; N64-I66 PolarHBondContact O-N 3.5Å; N64-I71 CarbonylContact O-C 3.5Å; N64-I71 WeakPolarHBondContact O-CA 3.42Å; N64-M72 PolarHBondContact N-O 3.4Å; N64-M72 PolarHBondContact O-N 3.46Å; N64-T85 HydrophobicContact CB-CG2 3.67Å
65K94.9Very high90.9Very high103 Ų10351.5 Ų51.545%0.44824%0.235SC..EExtended strand (participates in β ladder)trans-69124.7169-169.2174.6-177.1176.50109.8D67 R89K65-D67 WeakPolarHBondContact CE-O 3.36Å; K65-D67 WeakPolarHBondContact CG-O 3.44Å; K65-R89 VanDerWaalsContact O-CZ 3.3Å; K65-R89 PolarHBondContact O-NE 2.9Å; K65-R89 PolarHBondContact O-NH2 3.45Å
66I96.2Very high91.4Very high7 Ų747.6 Ų47.64%0.03622%0.221CC..EExtended strand (participates in β ladder)trans-96-44.6175-57-54.9000110.1N64 I70 M72 T85 A88 R89 A92 I108N64-I66 PolarHBondContact O-N 3.5Å; I66-I70 HydrophobicContact CB-CB 4.23Å; I66-I70 HydrophobicContact CB-CG2 4Å; I66-I70 HydrophobicContact CG1-CG2 4.38Å; I66-I70 HydrophobicContact CG2-CG2 4.47Å; I66-I70 PolarHBondContact N-O 3.48Å; I66-M72 HydrophobicContact CD1-CB 4Å; I66-M72 HydrophobicContact CD1-CE 4.26Å; I66-M72 HydrophobicContact CG1-CB 3.81Å; I66-T85 HydrophobicContact CD1-CG2 3.85Å; I66-A88 HydrophobicContact CD1-CB 4.05Å; I66-A88 HydrophobicContact CG2-CB 3.92Å; I66-R89 HydrophobicContact CD1-CG 4.39Å; I66-A92 HydrophobicContact CG2-CB 4.17Å; I66-I108 HydrophobicContact CG2-CG2 4.14Å
67D94.3Very high91.9Very high10 Ų1045.5 Ų45.55%0.05321%0.213CC..EExtended strand (participates in β ladder)trans-144.9-179.5173.6-155.8-25.3000108.8K65 H69 I70 A92 R96 P103K65-D67 WeakPolarHBondContact CE-O 3.36Å; K65-D67 WeakPolarHBondContact CG-O 3.44Å; D67-H69 PolarHBondContact O-N 3.26Å; D67-H69 IonicContact OD2-CE1 3.58Å; D67-I70 HydrophobicContact CB-CB 4.27Å; D67-I70 HydrophobicContact CB-CG1 4.37Å; D67-I70 PolarHBondContact N-O 3.1Å; D67-I70 VanDerWaalsContact N-O 3.14Å; D67-I70 PolarHBondContact O-N 3.33Å; D67-I70 VanDerWaalsContact O-O 3.13Å; D67-A92 HydrophobicContact CB-CB 4.29Å; D67-R96 IonicContact OD1-CZ 2.62Å; D67-R96 IonicContact OD1-NE 3.58Å; D67-R96 PolarHBondContact OD1-NE 3.41Å; D67-R96 IonicContact OD1-NH2 3.23Å; D67-R96 PolarHBondContact OD1-NH2 3.02Å; D67-R96 IonicContact OD2-CZ 3.71Å; D67-R96 IonicContact OD2-NE 2.94Å; D67-R96 PolarHBondContact OD2-NE 3.37Å; D67-R96 IonicContact OD2-NH2 3.51Å; D67-R96 PolarHBondContact OD2-NH2 3.29Å; D67-P103 VanDerWaalsContact OD2-CD 3.3Å; D67-P103 WeakPolarHBondContact OD2-CD 3.43Å; D67-P103 WeakPolarHBondContact OD2-CG 3.43Å
68E91.1Very high92.6Very high92 Ų9245.4 Ų45.443%0.4322%0.216SC..THydrogen-bonded Turntrans-50.8-39.3177.6-69.6-179.7160.500113.7R96 S228E68-R96 IonicContact OE2-NH2 3.34Å; E68-S228 VanDerWaalsContact O-CB 3.24Å; E68-S228 WeakPolarHBondContact O-CB 3.17Å
69H93.6Very high93.3Very high2 Ų239.6 Ų39.61%0.00921%0.208CC..THydrogen-bonded Turntrans-113.94.1-173.562.4-56000114D67 P103 G136 V137 I226D67-H69 PolarHBondContact O-N 3.26Å; D67-H69 IonicContact OD2-CE1 3.58Å; H69-P103 PolarHBondContact NE2-O 2.76Å; H69-G136 WeakPolarHBondContact O-CA 3.41Å; H69-V137 WeakPolarHBondContact CB-O 3.41Å; H69-V137 PolarHBondContact CD2-O 2.83Å; H69-V137 VanDerWaalsContact CD2-O 3.27Å; H69-V137 PolarHBondContact O-N 3.07Å; H69-I226 HydrophobicContact CB-CB 4.22Å; H69-I226 HydrophobicContact CB-CD1 3.61Å; H69-I226 HydrophobicContact CB-CG1 4.43Å; H69-I226 HydrophobicContact CB-CG2 3.56Å
70I96.3Very high94.1Very high0 Ų035.8 Ų35.80%018%0.184CC..EExtended strand (participates in β ladder)trans-128124.8-176.5-51.9-177.8000110.1I66 D67 P103 V105 I108 V134 A135I66-I70 HydrophobicContact CB-CB 4.23Å; I66-I70 HydrophobicContact CB-CG2 4Å; I66-I70 HydrophobicContact CG1-CG2 4.38Å; I66-I70 HydrophobicContact CG2-CG2 4.47Å; I66-I70 PolarHBondContact N-O 3.48Å; D67-I70 HydrophobicContact CB-CB 4.27Å; D67-I70 HydrophobicContact CB-CG1 4.37Å; D67-I70 PolarHBondContact N-O 3.1Å; D67-I70 VanDerWaalsContact N-O 3.14Å; D67-I70 PolarHBondContact O-N 3.33Å; D67-I70 VanDerWaalsContact O-O 3.13Å; I70-P103 HydrophobicContact CD1-CG 4.06Å; I70-V105 HydrophobicContact CD1-CG2 4.48Å; I70-V105 HydrophobicContact CG1-CG2 4.23Å; I70-I108 HydrophobicContact CD1-CB 4.39Å; I70-I108 HydrophobicContact CD1-CG1 3.58Å; I70-I108 HydrophobicContact CG2-CG2 4.5Å; I70-V134 HydrophobicContact CG2-CG1 3.87Å; I70-A135 WeakPolarHBondContact CA-O 3.41Å
71I97.5Very high94.9Very high1 Ų133.8 Ų33.81%0.00517%0.172CC..EExtended strand (participates in β ladder)trans-121155174.261.1173.1000110.7L44 I63 N64 A135 C210 V212 S228L44-I71 HydrophobicContact CB-CD1 4.16Å; L44-I71 HydrophobicContact CD1-CB 4.4Å; L44-I71 HydrophobicContact CD1-CD1 3.56Å; L44-I71 HydrophobicContact CD1-CG1 3.66Å; L44-I71 HydrophobicContact CG-CD1 3.67Å; L44-I71 HydrophobicContact CG-CG1 4.2Å; I63-I71 HydrophobicContact CG2-CB 4.22Å; I63-I71 HydrophobicContact CG2-CD1 4.27Å; N64-I71 CarbonylContact O-C 3.5Å; N64-I71 WeakPolarHBondContact O-CA 3.42Å; I71-A135 HydrophobicContact CG1-CB 4.03Å; I71-A135 WeakPolarHBondContact CG1-O 3.45Å; I71-A135 PolarHBondContact N-O 2.91Å; I71-A135 PolarHBondContact O-N 2.88Å; I71-A135 VanDerWaalsContact O-O 3.04Å; I71-C210 HydrophobicContact CD1-CB 3.88Å; I71-V212 HydrophobicContact CB-CG2 4.47Å; I71-V212 HydrophobicContact CD1-CG2 3.57Å; I71-V212 HydrophobicContact CG1-CG2 3.71Å; I71-V212 HydrophobicContact CG2-CG2 3.99Å; I71-S228 WeakPolarHBondContact CG2-OG 3.28Å
72M97.9Very high95.6Very high2 Ų234.4 Ų34.41%0.0117%0.174CC..EExtended strand (participates in β ladder)trans-134.4125.9177.9-174.1-179.573.100110.6N64 I66 T85 L112 A132 I133 V134N64-M72 PolarHBondContact N-O 3.4Å; N64-M72 PolarHBondContact O-N 3.46Å; I66-M72 HydrophobicContact CD1-CB 4Å; I66-M72 HydrophobicContact CD1-CE 4.26Å; I66-M72 HydrophobicContact CG1-CB 3.81Å; M72-T85 HydrophobicContact CE-CG2 4.38Å; M72-T85 WeakPolarHBondContact CE-OG1 3.43Å; M72-L112 HydrophobicContact SD-CD1 3.75Å; M72-A132 HydrophobicContact CG-CB 4.14Å; M72-A132 HydrophobicContact SD-CB 3.93Å; M72-I133 CarbonylContact C-O 3.39Å; M72-I133 VanDerWaalsContact CA-O 3.28Å; M72-I133 WeakPolarHBondContact CA-O 3.37Å; M72-V134 HydrophobicContact CG-CG2 4.28Å
73A97.5Very high95.9Very high0 Ų036.5 Ų36.50%019%0.189CC..EExtended strand (participates in β ladder)trans-105.6164163.300000109.9A33 L44 V46 K62 I63 A132 I133A33-A73 HydrophobicContact CB-CB 4.05Å; L44-A73 HydrophobicContact CD1-CB 3.73Å; V46-A73 HydrophobicContact CG1-CB 3.69Å; K62-A73 WeakPolarHBondContact O-CA 3.38Å; I63-A73 HydrophobicContact CG1-CB 4.45Å; A73-A132 CarbonylContact O-C 3.55Å; A73-A132 WeakPolarHBondContact O-CA 3.32Å; A73-I133 PolarHBondContact N-O 3.04Å; A73-I133 PolarHBondContact O-N 2.73Å
74F97.5Very high96.1Very high10 Ų1036 Ų364%0.04419%0.186CC..EExtended strand (participates in β ladder)trans-151.3159.8-17967.6-89.8000112.8K62 N78 A81 V130 S131K62-F74 HydrophobicContact CG-CZ 4.46Å; F74-N78 VanDerWaalsContact CE2-OD1 3.3Å; F74-N78 WeakPolarHBondContact CE2-OD1 3.48Å; F74-A81 HydrophobicContact CB-CB 4.33Å; F74-A81 HydrophobicContact CD1-CB 3.64Å; F74-A81 HydrophobicContact CD2-CB 3.3Å; F74-A81 HydrophobicContact CE1-CB 3.66Å; F74-A81 HydrophobicContact CE2-CB 3.33Å; F74-A81 HydrophobicContact CG-CB 3.47Å; F74-A81 VanDerWaalsContact CG-CB 3.47Å; F74-A81 HydrophobicContact CZ-CB 3.51Å; F74-V130 HydrophobicContact CB-CG1 3.84Å; F74-V130 HydrophobicContact CD2-CG1 4.43Å; F74-V130 HydrophobicContact CG-CG1 4.45Å; F74-S131 CarbonylContact C-O 3.59Å; F74-S131 VanDerWaalsContact CA-O 3.26Å; F74-S131 WeakPolarHBondContact CA-O 3.39Å
75A97.4Very high96.2Very high1 Ų134.7 Ų34.71%0.00818%0.179CC..EExtended strand (participates in β ladder)trans-126.8147.3164.800000110.7V27 S31 V130 S131 T162 G163V27-A75 HydrophobicContact CG1-CB 4.11Å; S31-A75 WeakPolarHBondContact O-CB 2.99Å; A75-V130 WeakPolarHBondContact O-CA 3.08Å; A75-S131 PolarHBondContact N-O 3.46Å; A75-S131 PolarHBondContact O-N 3.24Å; A75-T162 HydrophobicContact CB-CG2 3.71Å; A75-G163 VanDerWaalsContact CB-CA 3.42Å
76G96.9Very high96.4Very high15 Ų1533.6 Ų33.616%0.15518%0.178CC..EExtended strand (participates in β ladder)trans117.8-141.9-17900000112.7N78 G129G76-N78 PolarHBondContact O-N 3.41Å; G76-G129 CarbonylContact C-O 3.54Å; G76-G129 VanDerWaalsContact CA-O 3.27Å; G76-G129 WeakPolarHBondContact CA-O 3.39Å
77L96.2Very high96.5Very high77 Ų7736 Ų3640%0.40319%0.19SC..  trans-76116.5-175.4-61.2179.5000112A79 D80 A81 G129 V130L77-A79 VanDerWaalsContact C-N 3.26Å; L77-A79 PolarHBondContact O-N 3.01Å; L77-D80 HydrophobicContact CB-CB 4.04Å; L77-D80 WeakPolarHBondContact O-CB 3.25Å; L77-D80 PolarHBondContact O-N 3.3Å; L77-A81 PolarHBondContact O-N 2.82Å; L77-A81 VanDerWaalsContact O-N 3.12Å; L77-G129 PolarHBondContact N-O 2.93Å; L77-V130 HydrophobicContact CB-CG2 4.45Å; L77-V130 VanDerWaalsContact O-CG2 3.25Å; L77-V130 WeakPolarHBondContact O-CG2 3.18Å
78N94.2Very high96.7Very high98 Ų9835.6 Ų35.652%0.52419%0.188SC..Hα-helixtrans-59.3-33.7-179.8-68.4-23.7000113.7F74 G76 R82F74-N78 VanDerWaalsContact CE2-OD1 3.3Å; F74-N78 WeakPolarHBondContact CE2-OD1 3.48Å; G76-N78 PolarHBondContact O-N 3.41Å; N78-R82 PolarHBondContact O-N 3Å
79A95.3Very high97Very high67 Ų6735.5 Ų35.555%0.55418%0.183SC*.Hα-helixtrans-66.4-44.4179.600000111.6L77 R82 V83L77-A79 VanDerWaalsContact C-N 3.26Å; L77-A79 PolarHBondContact O-N 3.01Å; A79-R82 WeakPolarHBondContact O-CB 3.29Å; A79-R82 PolarHBondContact O-N 3.48Å; A79-V83 PolarHBondContact O-N 3.16Å
80D97.1Very high97.2Very high10 Ų1040.5 Ų40.55%0.05321%0.214CC..Hα-helixtrans-63.5-43.9177.4-74.616.9000111.3L77 R82 V83 L84 R126 F128 G129 V130L77-D80 HydrophobicContact CB-CB 4.04Å; L77-D80 WeakPolarHBondContact O-CB 3.25Å; L77-D80 PolarHBondContact O-N 3.3Å; D80-R82 VanDerWaalsContact C-N 3.25Å; D80-R82 PolarHBondContact O-N 3.06Å; D80-V83 WeakPolarHBondContact O-CB 3.43Å; D80-V83 PolarHBondContact O-N 3.35Å; D80-V83 VanDerWaalsContact O-N 3.12Å; D80-L84 PolarHBondContact O-N 3.04Å; D80-L84 VanDerWaalsContact O-N 3.07Å; D80-R126 IonicContact OD1-CZ 2.67Å; D80-R126 IonicContact OD1-NH1 3.87Å; D80-R126 PolarHBondContact OD1-NH1 3.48Å; D80-R126 IonicContact OD1-NH2 2.73Å; D80-R126 PolarHBondContact OD1-NH2 2.92Å; D80-R126 IonicContact OD2-CZ 3.83Å; D80-R126 IonicContact OD2-NH1 3.46Å; D80-R126 PolarHBondContact OD2-NH1 3.25Å; D80-R126 IonicContact OD2-NH2 3.7Å; D80-R126 PolarHBondContact OD2-NH2 3.21Å; D80-F128 HydrophobicContact CB-CD1 3.88Å; D80-G129 PolarHBondContact OD2-N 3.28Å; D80-V130 HydrophobicContact CB-CG2 3.45Å; D80-V130 VanDerWaalsContact CB-CG2 3.45Å
81A96.9Very high97.3Very high0 Ų042.5 Ų42.50%022%0.223CC..Hα-helixtrans-60.8-35.5179.300000112.3F74 L77 L84 T85 V130F74-A81 HydrophobicContact CB-CB 4.33Å; F74-A81 HydrophobicContact CD1-CB 3.64Å; F74-A81 HydrophobicContact CD2-CB 3.3Å; F74-A81 HydrophobicContact CE1-CB 3.66Å; F74-A81 HydrophobicContact CE2-CB 3.33Å; F74-A81 HydrophobicContact CG-CB 3.47Å; F74-A81 VanDerWaalsContact CG-CB 3.47Å; F74-A81 HydrophobicContact CZ-CB 3.51Å; L77-A81 PolarHBondContact O-N 2.82Å; L77-A81 VanDerWaalsContact O-N 3.12Å; A81-L84 PolarHBondContact O-N 2.98Å; A81-T85 WeakPolarHBondContact O-CB 3.49Å; A81-T85 PolarHBondContact O-N 2.98Å; A81-T85 PolarHBondContact O-OG1 3.25Å; A81-V130 HydrophobicContact CB-CG1 4.27Å; A81-V130 HydrophobicContact CB-CG2 4.14Å
82R96.3Very high97.4Very high168 Ų16842.5 Ų42.563%0.63422%0.223SC*.Hα-helixtrans-62.9-42.4175.8-168.2-169.6-46.4-87-5.1111.9N78 A79 D80 N86N78-R82 PolarHBondContact O-N 3Å; A79-R82 WeakPolarHBondContact O-CB 3.29Å; A79-R82 PolarHBondContact O-N 3.48Å; D80-R82 VanDerWaalsContact C-N 3.25Å; D80-R82 PolarHBondContact O-N 3.06Å; R82-N86 PolarHBondContact O-N 2.79Å; R82-N86 VanDerWaalsContact O-N 3.12Å
83V97.5Very high97.3Very high63 Ų6347.2 Ų47.238%0.38225%0.245SC..Hα-helixtrans-63.6-49.1177.8176.70000110.1A79 D80 T85 N86 M87 F128A79-V83 PolarHBondContact O-N 3.16Å; D80-V83 WeakPolarHBondContact O-CB 3.43Å; D80-V83 PolarHBondContact O-N 3.35Å; D80-V83 VanDerWaalsContact O-N 3.12Å; V83-T85 PolarHBondContact O-N 2.76Å; V83-N86 PolarHBondContact O-N 3.49Å; V83-M87 HydrophobicContact CG1-CE 3.6Å; V83-M87 HydrophobicContact CG1-SD 4.07Å; V83-M87 WeakPolarHBondContact O-CG 3.47Å; V83-M87 PolarHBondContact O-N 3.04Å; V83-F128 HydrophobicContact CB-CE1 4.37Å; V83-F128 HydrophobicContact CG1-CE1 4.19Å; V83-F128 HydrophobicContact CG1-CZ 4.42Å
84L98.1Very high97.4Very high1 Ų149.8 Ų49.81%0.00526%0.263CS..Hα-helixtrans-61.8-42.1178.7-69.3163.9000112.5D80 A81 N86 M87 A88 L112 T115 M116 F128 V130D80-L84 PolarHBondContact O-N 3.04Å; D80-L84 VanDerWaalsContact O-N 3.07Å; A81-L84 PolarHBondContact O-N 2.98Å; L84-N86 VanDerWaalsContact C-N 3.32Å; L84-N86 PolarHBondContact O-N 3.23Å; L84-M87 PolarHBondContact O-N 3.28Å; L84-A88 WeakPolarHBondContact O-CB 3.24Å; L84-A88 PolarHBondContact O-N 3.27Å; L84-L112 HydrophobicContact CB-CD2 4.07Å; L84-L112 HydrophobicContact CD2-CD2 4.08Å; L84-T115 HydrophobicContact CD2-CG2 4.46Å; L84-M116 HydrophobicContact CD1-CE 3.31Å; L84-M116 HydrophobicContact CD2-CE 4.06Å; L84-M116 HydrophobicContact CD2-CG 4.11Å; L84-M116 HydrophobicContact CG-CE 4.28Å; L84-F128 HydrophobicContact CD1-CB 4.14Å; L84-F128 HydrophobicContact CD1-CD1 3.87Å; L84-F128 HydrophobicContact CD1-CE1 4.39Å; L84-F128 HydrophobicContact CD1-CG 3.96Å; L84-F128 HydrophobicContact CD2-CD1 4.18Å; L84-F128 HydrophobicContact CD2-CD2 4.01Å; L84-F128 HydrophobicContact CD2-CE1 4.05Å; L84-F128 HydrophobicContact CD2-CE2 3.86Å; L84-F128 HydrophobicContact CD2-CG 4.15Å; L84-F128 HydrophobicContact CD2-CZ 3.87Å; L84-F128 HydrophobicContact CG-CD1 3.9Å; L84-F128 HydrophobicContact CG-CE1 3.91Å; L84-F128 HydrophobicContact CG-CG 4.23Å; L84-F128 HydrophobicContact CG-CZ 4.25Å; L84-V130 HydrophobicContact CD1-CB 4.06Å; L84-V130 HydrophobicContact CD1-CG1 4.13Å
85T97.6Very high97.4Very high2 Ų252 Ų521%0.01227%0.271CS..Hα-helixtrans-57.7-45.9175.9-58.50000111.1N64 I66 M72 A81 V83 A88 R89N64-T85 HydrophobicContact CB-CG2 3.67Å; I66-T85 HydrophobicContact CD1-CG2 3.85Å; M72-T85 HydrophobicContact CE-CG2 4.38Å; M72-T85 WeakPolarHBondContact CE-OG1 3.43Å; A81-T85 WeakPolarHBondContact O-CB 3.49Å; A81-T85 PolarHBondContact O-N 2.98Å; A81-T85 PolarHBondContact O-OG1 3.25Å; V83-T85 PolarHBondContact O-N 2.76Å; T85-A88 PolarHBondContact O-N 3.1Å; T85-R89 WeakPolarHBondContact O-CG 3.42Å; T85-R89 PolarHBondContact O-N 2.85Å
86N98Very high97.2Very high80 Ų8054.5 Ų54.543%0.42828%0.28SS..Hα-helixtrans-68.1-41.1-179.9-72.7-12.6000111.8R82 V83 L84 R89 V90R82-N86 PolarHBondContact O-N 2.79Å; R82-N86 VanDerWaalsContact O-N 3.12Å; V83-N86 PolarHBondContact O-N 3.49Å; L84-N86 VanDerWaalsContact C-N 3.32Å; L84-N86 PolarHBondContact O-N 3.23Å; N86-R89 PolarHBondContact O-N 2.91Å; N86-V90 WeakPolarHBondContact O-CG2 3.38Å; N86-V90 PolarHBondContact O-N 2.98Å
87M98.4Very high97.2Very high58 Ų5860.6 Ų60.629%0.28631%0.309SS..Hα-helixtrans-59.8-45.7174.4-70.3174.9173.700111.5V83 L84 R89 V90 E91 F111 T115V83-M87 HydrophobicContact CG1-CE 3.6Å; V83-M87 HydrophobicContact CG1-SD 4.07Å; V83-M87 WeakPolarHBondContact O-CG 3.47Å; V83-M87 PolarHBondContact O-N 3.04Å; L84-M87 PolarHBondContact O-N 3.28Å; M87-R89 PolarHBondContact O-N 3.4Å; M87-V90 PolarHBondContact O-N 3.29Å; M87-E91 PolarHBondContact O-N 3.46Å; M87-F111 HydrophobicContact CB-CE1 4.02Å; M87-F111 HydrophobicContact CB-CZ 4.3Å; M87-T115 HydrophobicContact SD-CG2 3.81Å
88A98.6Very high97.3Very high0 Ų061.6 Ų61.60%032%0.318CS..Hα-helixtrans-64.1-36.9177.900000113I66 L84 T85 E91 A92 I108 L112I66-A88 HydrophobicContact CD1-CB 4.05Å; I66-A88 HydrophobicContact CG2-CB 3.92Å; L84-A88 WeakPolarHBondContact O-CB 3.24Å; L84-A88 PolarHBondContact O-N 3.27Å; T85-A88 PolarHBondContact O-N 3.1Å; A88-E91 PolarHBondContact O-N 2.94Å; A88-A92 WeakPolarHBondContact O-CB 3.45Å; A88-A92 PolarHBondContact O-N 2.85Å; A88-I108 HydrophobicContact CB-CG2 4.17Å; A88-L112 HydrophobicContact CB-CD1 4.32Å; A88-L112 HydrophobicContact CB-CD2 4.05Å; A88-L112 HydrophobicContact CB-CG 4.24Å
89R98.3Very high97.3Very high90 Ų9062 Ų6234%0.3432%0.318SS..Hα-helixtrans-64-44.6174.7-77.5173.1176.3155.32112.2K65 I66 T85 N86 M87 E91 A92 Q93K65-R89 VanDerWaalsContact O-CZ 3.3Å; K65-R89 PolarHBondContact O-NE 2.9Å; K65-R89 PolarHBondContact O-NH2 3.45Å; I66-R89 HydrophobicContact CD1-CG 4.39Å; T85-R89 WeakPolarHBondContact O-CG 3.42Å; T85-R89 PolarHBondContact O-N 2.85Å; N86-R89 PolarHBondContact O-N 2.91Å; M87-R89 PolarHBondContact O-N 3.4Å; R89-E91 VanDerWaalsContact C-N 3.33Å; R89-A92 PolarHBondContact O-N 3.26Å; R89-Q93 WeakPolarHBondContact O-CG 3.38Å; R89-Q93 PolarHBondContact O-N 3.47Å; R89-Q93 VanDerWaalsContact O-N 3.13Å
90V98.5Very high97.2Very high107 Ų10767.4 Ų67.465%0.64833%0.332SS*.Hα-helixtrans-62.2-44.4176.9172.70000110.1N86 M87 A92 Q93 S94N86-V90 WeakPolarHBondContact O-CG2 3.38Å; N86-V90 PolarHBondContact O-N 2.98Å; M87-V90 PolarHBondContact O-N 3.29Å; V90-A92 PolarHBondContact O-N 3.2Å; V90-Q93 PolarHBondContact O-N 2.88Å; V90-S94 WeakPolarHBondContact O-CB 3.21Å; V90-S94 PolarHBondContact O-N 2.8Å
91E98.5Very high97Very high43 Ų4371.4 Ų71.420%0.20135%0.354CS..Hα-helixtrans-60.6-44.9176.3179.762-165.300112.3M87 A88 R89 Q93 S94 W95 H107 I108 F111M87-E91 PolarHBondContact O-N 3.46Å; A88-E91 PolarHBondContact O-N 2.94Å; R89-E91 VanDerWaalsContact C-N 3.33Å; E91-Q93 VanDerWaalsContact C-N 3.31Å; E91-Q93 PolarHBondContact O-N 3.39Å; E91-S94 WeakPolarHBondContact O-CB 3.47Å; E91-S94 PolarHBondContact O-N 2.92Å; E91-W95 PolarHBondContact O-N 3.26Å; E91-H107 IonicContact OE1-CD2 2.62Å; E91-H107 IonicContact OE1-CE1 3.83Å; E91-H107 PolarHBondContact OE1-CE1 3.29Å; E91-H107 IonicContact OE1-NE2 3.94Å; E91-H107 PolarHBondContact OE1-NE2 3.47Å; E91-I108 HydrophobicContact CG-CD1 4.26Å; E91-F111 HydrophobicContact CB-CD1 3.9Å; E91-F111 HydrophobicContact CB-CD2 4.04Å; E91-F111 HydrophobicContact CB-CE1 3.82Å; E91-F111 HydrophobicContact CB-CE2 3.94Å; E91-F111 HydrophobicContact CB-CG 4.01Å; E91-F111 HydrophobicContact CB-CZ 3.84Å; E91-F111 HydrophobicContact CG-CB 4.07Å; E91-F111 HydrophobicContact CG-CD1 3.98Å; E91-F111 HydrophobicContact CG-CD2 3.56Å; E91-F111 HydrophobicContact CG-CE1 4.33Å; E91-F111 HydrophobicContact CG-CE2 3.93Å; E91-F111 HydrophobicContact CG-CG 3.59Å; E91-F111 HydrophobicContact CG-CZ 4.31Å
92A97.7Very high96.7Very high0 Ų071.9 Ų71.90%036%0.358CS..Hα-helixtrans-58.9-42.2178.700000112.3I66 D67 A88 R89 V90 R96 P103 I108I66-A92 HydrophobicContact CG2-CB 4.17Å; D67-A92 HydrophobicContact CB-CB 4.29Å; A88-A92 WeakPolarHBondContact O-CB 3.45Å; A88-A92 PolarHBondContact O-N 2.85Å; R89-A92 PolarHBondContact O-N 3.26Å; V90-A92 PolarHBondContact O-N 3.2Å; A92-R96 PolarHBondContact O-N 3.16Å; A92-P103 HydrophobicContact CB-CG 3.98Å; A92-I108 HydrophobicContact CB-CD1 3.87Å
93Q97.5Very high96.7Very high101 Ų10163.9 Ų63.947%0.47233%0.327SS..Hα-helixtrans-73.7-35.7177-61.5-52.7-5800112.5R89 V90 E91 W95 R96 L97R89-Q93 WeakPolarHBondContact O-CG 3.38Å; R89-Q93 PolarHBondContact O-N 3.47Å; R89-Q93 VanDerWaalsContact O-N 3.13Å; V90-Q93 PolarHBondContact O-N 2.88Å; E91-Q93 VanDerWaalsContact C-N 3.31Å; E91-Q93 PolarHBondContact O-N 3.39Å; Q93-W95 VanDerWaalsContact C-N 3.31Å; Q93-W95 PolarHBondContact O-N 3.41Å; Q93-R96 PolarHBondContact O-N 2.98Å; Q93-L97 PolarHBondContact O-N 2.89Å
94S98.1Very high96.6Very high54 Ų5463 Ų6338%0.37832%0.323SS..Hα-helixtrans-59.6-42.4173-175.60000111.5V90 E91 L97 T98V90-S94 WeakPolarHBondContact O-CB 3.21Å; V90-S94 PolarHBondContact O-N 2.8Å; E91-S94 WeakPolarHBondContact O-CB 3.47Å; E91-S94 PolarHBondContact O-N 2.92Å; S94-L97 PolarHBondContact O-N 3.48Å; S94-T98 WeakPolarHBondContact O-CB 3.47Å; S94-T98 PolarHBondContact O-N 3.04Å; S94-T98 PolarHBondContact O-OG1 3.47Å
95W97.5Very high96.6Very high57 Ų5763 Ų6322%0.21632%0.323CS..Hα-helixtrans-59.2-50.3173.5-179.4-78.9000111.4E91 Q93 L97 T98 M99 A102 P103 P104 H107E91-W95 PolarHBondContact O-N 3.26Å; Q93-W95 VanDerWaalsContact C-N 3.31Å; Q93-W95 PolarHBondContact O-N 3.41Å; W95-L97 VanDerWaalsContact C-N 3.26Å; W95-L97 PolarHBondContact O-N 2.85Å; W95-T98 PolarHBondContact O-N 3.4Å; W95-T98 VanDerWaalsContact O-N 3.08Å; W95-M99 HydrophobicContact CD2-CB 4.47Å; W95-M99 HydrophobicContact CD2-CG 3.86Å; W95-M99 HydrophobicContact CE3-CG 4.29Å; W95-M99 HydrophobicContact CG-CG 4.28Å; W95-M99 HydrophobicContact CH2-CG 4.4Å; W95-M99 HydrophobicContact CZ2-CB 4.49Å; W95-M99 HydrophobicContact CZ2-CG 3.96Å; W95-M99 HydrophobicContact CZ3-CE 4.48Å; W95-M99 WeakPolarHBondContact O-CB 3.17Å; W95-M99 PolarHBondContact O-N 3.21Å; W95-A102 PolarHBondContact NE1-O 2.9Å; W95-P103 HydrophobicContact CB-CB 4.02Å; W95-P103 VanDerWaalsContact CD1-N 3.33Å; W95-P103 HydrophobicContact CD2-CB 4.25Å; W95-P103 HydrophobicContact CG-CB 3.72Å; W95-P104 VanDerWaalsContact CZ2-CD 3.46Å; W95-P104 HydrophobicContact CZ2-CG 4.12Å; W95-H107 AromaticContact CE3-CD2 3.42Å; W95-H107 VanDerWaalsContact CE3-CD2 3.42Å; W95-H107 AromaticContact CE3-CE1 3.56Å; W95-H107 AromaticContact CE3-CG 3.7Å; W95-H107 AromaticContact CE3-ND1 3.82Å; W95-H107 AromaticContact CE3-NE2 3.33Å; W95-H107 VanDerWaalsContact CE3-NE2 3.33Å; W95-H107 HydrophobicContact CZ3-CB 4.4Å; W95-H107 AromaticContact CZ3-CD2 3.85Å; W95-H107 AromaticContact CZ3-CE1 3.52Å; W95-H107 AromaticContact CZ3-CG 3.62Å; W95-H107 AromaticContact CZ3-ND1 3.44Å; W95-H107 WeakPolarHBondContact CZ3-ND1 3.28Å; W95-H107 AromaticContact CZ3-NE2 3.78Å
96R94Very high96.6Very high53 Ų5365 Ų6520%0.233%0.334CS..Hα-helixtrans-57.4-39.7177.7-74180173.6-92.215.2112.8D67 E68 A92 Q93 E100 D101D67-R96 IonicContact OD1-CZ 2.62Å; D67-R96 IonicContact OD1-NE 3.58Å; D67-R96 PolarHBondContact OD1-NE 3.41Å; D67-R96 IonicContact OD1-NH2 3.23Å; D67-R96 PolarHBondContact OD1-NH2 3.02Å; D67-R96 IonicContact OD2-CZ 3.71Å; D67-R96 IonicContact OD2-NE 2.94Å; D67-R96 PolarHBondContact OD2-NE 3.37Å; D67-R96 IonicContact OD2-NH2 3.51Å; D67-R96 PolarHBondContact OD2-NH2 3.29Å; E68-R96 IonicContact OE2-NH2 3.34Å; A92-R96 PolarHBondContact O-N 3.16Å; Q93-R96 PolarHBondContact O-N 2.98Å; R96-E100 WeakPolarHBondContact O-CA 3.13Å; R96-E100 PolarHBondContact O-N 3.36Å; R96-E100 VanDerWaalsContact O-N 3.08Å; R96-D101 WeakPolarHBondContact CA-O 3.35Å; R96-D101 WeakPolarHBondContact CG-O 3.3Å
97L96.9Very high96.6Very high144 Ų14462.9 Ų62.975%0.75432%0.321SS*.Hα-helixtrans-67.6-36.7177.6-177.263.7000112.3Q93 S94 W95Q93-L97 PolarHBondContact O-N 2.89Å; S94-L97 PolarHBondContact O-N 3.48Å; W95-L97 VanDerWaalsContact C-N 3.26Å; W95-L97 PolarHBondContact O-N 2.85Å
98T97.4Very high96.6Very high97 Ų9760.1 Ų60.160%0.59531%0.307SS*.Hα-helixtrans-87.7-40.7-173.1-52.80000112.7S94 W95S94-T98 WeakPolarHBondContact O-CB 3.47Å; S94-T98 PolarHBondContact O-N 3.04Å; S94-T98 PolarHBondContact O-OG1 3.47Å; W95-T98 PolarHBondContact O-N 3.4Å; W95-T98 VanDerWaalsContact O-N 3.08Å
99M95.1Very high96.7Very high106 Ų10660.1 Ų60.152%0.52231%0.307SS..Hα-helixtrans-100.8-6.6-173.6-59.9-62.1176.600112.8W95 D101W95-M99 HydrophobicContact CD2-CB 4.47Å; W95-M99 HydrophobicContact CD2-CG 3.86Å; W95-M99 HydrophobicContact CE3-CG 4.29Å; W95-M99 HydrophobicContact CG-CG 4.28Å; W95-M99 HydrophobicContact CH2-CG 4.4Å; W95-M99 HydrophobicContact CZ2-CB 4.49Å; W95-M99 HydrophobicContact CZ2-CG 3.96Å; W95-M99 HydrophobicContact CZ3-CE 4.48Å; W95-M99 WeakPolarHBondContact O-CB 3.17Å; W95-M99 PolarHBondContact O-N 3.21Å; M99-D101 PolarHBondContact O-N 2.87Å
100E93Very high96.7Very high182 Ų18260 Ų6085%0.8531%0.307SS*.SBendtrans53.820.8-174.6-60-172.2164.700114.3R96R96-E100 WeakPolarHBondContact O-CA 3.13Å; R96-E100 PolarHBondContact O-N 3.36Å; R96-E100 VanDerWaalsContact O-N 3.08Å
101D92.2Very high96.7Very high94 Ų9457.3 Ų57.350%0.50329%0.287SS..SBendtrans-138.6164.3-179.1-160.94.6000110.8R96 M99R96-D101 WeakPolarHBondContact CA-O 3.35Å; R96-D101 WeakPolarHBondContact CG-O 3.3Å; M99-D101 PolarHBondContact O-N 2.87Å
102A92.3Very high96.7Very high10 Ų1055.3 Ų55.38%0.08328%0.277CS..PPolyproline II helixtrans-69.1141176.500000111.2W95 L223W95-A102 PolarHBondContact NE1-O 2.9Å; A102-L223 HydrophobicContact CB-CD2 3.94Å
103P95.5Very high96.7Very high0 Ų055.3 Ų55.30%028%0.277CS..PPolyproline II helixtrans-63.8136.1177.625.1-35.1000111.6D67 H69 I70 A92 W95 I108D67-P103 VanDerWaalsContact OD2-CD 3.3Å; D67-P103 WeakPolarHBondContact OD2-CD 3.43Å; D67-P103 WeakPolarHBondContact OD2-CG 3.43Å; H69-P103 PolarHBondContact NE2-O 2.76Å; I70-P103 HydrophobicContact CD1-CG 4.06Å; A92-P103 HydrophobicContact CB-CG 3.98Å; W95-P103 HydrophobicContact CB-CB 4.02Å; W95-P103 VanDerWaalsContact CD1-N 3.33Å; W95-P103 HydrophobicContact CD2-CB 4.25Å; W95-P103 HydrophobicContact CG-CB 3.72Å; P103-I108 HydrophobicContact CB-CD1 4.08Å; P103-I108 HydrophobicContact CB-CG1 4.21Å; P103-I108 HydrophobicContact CG-CD1 4.31Å; P103-I108 HydrophobicContact CG-CG1 4.44Å
104P96.4Very high96.8Very high45 Ų4554.5 Ų54.529%0.29228%0.276SS..PPolyproline II helixtrans-59.8145.9166.4-22.433000111.1W95 D106 H107 I108W95-P104 VanDerWaalsContact CZ2-CD 3.46Å; W95-P104 HydrophobicContact CZ2-CG 4.12Å; P104-D106 PolarHBondContact O-N 3.34Å; P104-H107 HydrophobicContact CB-CB 4.38Å; P104-H107 WeakPolarHBondContact O-CB 3.36Å; P104-H107 PolarHBondContact O-N 3.13Å; P104-I108 PolarHBondContact O-N 3.14Å
105V97.7Very high96.8Very high0 Ų052.8 Ų52.80%026%0.264CS..Hα-helixtrans-57.7-40.5179-176.30000111.6I70 H107 I108 A109 V134 N138 H144 F146I70-V105 HydrophobicContact CD1-CG2 4.48Å; I70-V105 HydrophobicContact CG1-CG2 4.23Å; V105-H107 VanDerWaalsContact C-N 3.3Å; V105-H107 PolarHBondContact O-N 2.92Å; V105-I108 PolarHBondContact O-N 3.44Å; V105-A109 PolarHBondContact O-N 3.01Å; V105-A109 VanDerWaalsContact O-N 3.13Å; V105-V134 HydrophobicContact CG1-CG1 4.08Å; V105-N138 WeakPolarHBondContact CG2-OD1 3.22Å; V105-N138 PolarHBondContact N-OD1 3.36Å; V105-H144 HydrophobicContact CB-CB 3.85Å; V105-H144 HydrophobicContact CG1-CB 3.91Å; V105-H144 HydrophobicContact CG2-CB 4.21Å; V105-F146 HydrophobicContact CB-CE2 4.43Å; V105-F146 HydrophobicContact CG1-CD2 3.96Å; V105-F146 HydrophobicContact CG1-CE2 4.17Å
106D98Very high96.8Very high45 Ų4550.1 Ų50.124%0.24125%0.253CS..Hα-helixtrans-58.7-37.6175.9166.472.3000112.9P104 I108 A109 R110 F146P104-D106 PolarHBondContact O-N 3.34Å; D106-I108 PolarHBondContact O-N 3.45Å; D106-A109 PolarHBondContact O-N 2.84Å; D106-R110 VanDerWaalsContact CG-NH2 3.26Å; D106-R110 WeakPolarHBondContact O-CB 3.44Å; D106-R110 PolarHBondContact O-N 3.43Å; D106-R110 IonicContact OD1-CZ 3.95Å; D106-R110 IonicContact OD1-NH2 2.94Å; D106-R110 PolarHBondContact OD1-NH2 3.15Å; D106-R110 IonicContact OD2-CZ 2.98Å; D106-R110 IonicContact OD2-NH1 3.56Å; D106-R110 PolarHBondContact OD2-NH1 3.04Å; D106-R110 IonicContact OD2-NH2 2.98Å; D106-R110 PolarHBondContact OD2-NH2 2.81Å; D106-F146 HydrophobicContact CB-CE1 4.47Å; D106-F146 HydrophobicContact CB-CE2 3.87Å; D106-F146 HydrophobicContact CB-CZ 3.62Å
107H98Very high96.9Very high34 Ų3450.3 Ų50.316%0.15726%0.256CS..Hα-helixtrans-61.5-46.5178.517968.3000111.3E91 W95 P104 V105 A109 R110 F111E91-H107 IonicContact OE1-CD2 2.62Å; E91-H107 IonicContact OE1-CE1 3.83Å; E91-H107 PolarHBondContact OE1-CE1 3.29Å; E91-H107 IonicContact OE1-NE2 3.94Å; E91-H107 PolarHBondContact OE1-NE2 3.47Å; W95-H107 AromaticContact CE3-CD2 3.42Å; W95-H107 VanDerWaalsContact CE3-CD2 3.42Å; W95-H107 AromaticContact CE3-CE1 3.56Å; W95-H107 AromaticContact CE3-CG 3.7Å; W95-H107 AromaticContact CE3-ND1 3.82Å; W95-H107 AromaticContact CE3-NE2 3.33Å; W95-H107 VanDerWaalsContact CE3-NE2 3.33Å; W95-H107 HydrophobicContact CZ3-CB 4.4Å; W95-H107 AromaticContact CZ3-CD2 3.85Å; W95-H107 AromaticContact CZ3-CE1 3.52Å; W95-H107 AromaticContact CZ3-CG 3.62Å; W95-H107 AromaticContact CZ3-ND1 3.44Å; W95-H107 WeakPolarHBondContact CZ3-ND1 3.28Å; W95-H107 AromaticContact CZ3-NE2 3.78Å; P104-H107 HydrophobicContact CB-CB 4.38Å; P104-H107 WeakPolarHBondContact O-CB 3.36Å; P104-H107 PolarHBondContact O-N 3.13Å; V105-H107 VanDerWaalsContact C-N 3.3Å; V105-H107 PolarHBondContact O-N 2.92Å; H107-A109 PolarHBondContact O-N 2.97Å; H107-R110 PolarHBondContact O-N 2.87Å; H107-F111 WeakPolarHBondContact O-CB 3.41Å; H107-F111 PolarHBondContact O-N 3.39Å
108I98.5Very high96.9Very high0 Ų051.6 Ų51.60%025%0.251CS..Hα-helixtrans-64.3-41.8177.5-60.8-55.5000111.3I66 I70 A88 E91 A92 P103 P104 V105 D106 F111 L112 V134I66-I108 HydrophobicContact CG2-CG2 4.14Å; I70-I108 HydrophobicContact CD1-CB 4.39Å; I70-I108 HydrophobicContact CD1-CG1 3.58Å; I70-I108 HydrophobicContact CG2-CG2 4.5Å; A88-I108 HydrophobicContact CB-CG2 4.17Å; E91-I108 HydrophobicContact CG-CD1 4.26Å; A92-I108 HydrophobicContact CB-CD1 3.87Å; P103-I108 HydrophobicContact CB-CD1 4.08Å; P103-I108 HydrophobicContact CB-CG1 4.21Å; P103-I108 HydrophobicContact CG-CD1 4.31Å; P103-I108 HydrophobicContact CG-CG1 4.44Å; P104-I108 PolarHBondContact O-N 3.14Å; V105-I108 PolarHBondContact O-N 3.44Å; D106-I108 PolarHBondContact O-N 3.45Å; I108-F111 PolarHBondContact O-N 2.83Å; I108-L112 HydrophobicContact CG2-CD1 4.29Å; I108-L112 WeakPolarHBondContact O-CG 3.42Å; I108-L112 PolarHBondContact O-N 2.95Å; I108-V134 HydrophobicContact CG2-CG1 4.22Å
109A98.6Very high96.9Very high0 Ų049 Ų490%023%0.231CC..Hα-helixtrans-61.1-46.4176.400000111.7V105 D106 H107 L112 A113 V134 F146 V148 Y154V105-A109 PolarHBondContact O-N 3.01Å; V105-A109 VanDerWaalsContact O-N 3.13Å; D106-A109 PolarHBondContact O-N 2.84Å; H107-A109 PolarHBondContact O-N 2.97Å; A109-L112 PolarHBondContact O-N 3.06Å; A109-A113 WeakPolarHBondContact O-CB 3.42Å; A109-A113 PolarHBondContact O-N 2.74Å; A109-V134 HydrophobicContact CB-CB 4.46Å; A109-F146 HydrophobicContact CB-CB 3.6Å; A109-F146 HydrophobicContact CB-CD1 4.15Å; A109-F146 HydrophobicContact CB-CD2 3.95Å; A109-F146 HydrophobicContact CB-CG 3.64Å; A109-V148 HydrophobicContact CB-CG2 4.33Å; A109-Y154 HydrophobicContact CB-CD2 4.15Å
110R98.6Very high96.8Very high88 Ų8844.4 Ų44.433%0.33221%0.209SC..Hα-helixtrans-63.3-42176.6-175.3-175-61.9117.55.8112.4D106 H107 L112 A113 N114 Y154D106-R110 VanDerWaalsContact CG-NH2 3.26Å; D106-R110 WeakPolarHBondContact O-CB 3.44Å; D106-R110 PolarHBondContact O-N 3.43Å; D106-R110 IonicContact OD1-CZ 3.95Å; D106-R110 IonicContact OD1-NH2 2.94Å; D106-R110 PolarHBondContact OD1-NH2 3.15Å; D106-R110 IonicContact OD2-CZ 2.98Å; D106-R110 IonicContact OD2-NH1 3.56Å; D106-R110 PolarHBondContact OD2-NH1 3.04Å; D106-R110 IonicContact OD2-NH2 2.98Å; D106-R110 PolarHBondContact OD2-NH2 2.81Å; H107-R110 PolarHBondContact O-N 2.87Å; R110-L112 VanDerWaalsContact C-N 3.35Å; R110-L112 PolarHBondContact O-N 2.62Å; R110-A113 WeakPolarHBondContact O-CB 3.44Å; R110-A113 PolarHBondContact O-N 3.45Å; R110-N114 WeakPolarHBondContact O-CB 3.26Å; R110-N114 PolarHBondContact O-N 3.18Å; R110-N114 PolarHBondContact O-ND2 3.31Å; R110-Y154 HydrophobicContact CB-CE1 4.48Å; R110-Y154 HydrophobicContact CB-CE2 4.17Å; R110-Y154 HydrophobicContact CG-CE1 4.34Å; R110-Y154 PolarHBondContact NE-OH 3.47Å; R110-Y154 VanDerWaalsContact NE-OH 3.15Å; R110-Y154 PolarHBondContact NH2-OH 2.83Å
111F98.7Very high96.7Very high51 Ų5141.6 Ų41.622%0.22420%0.196CC..Hα-helixtrans-59.1-46.4176.2169.5-94.4000111.5M87 E91 H107 I108 N114 T115M87-F111 HydrophobicContact CB-CE1 4.02Å; M87-F111 HydrophobicContact CB-CZ 4.3Å; E91-F111 HydrophobicContact CB-CD1 3.9Å; E91-F111 HydrophobicContact CB-CD2 4.04Å; E91-F111 HydrophobicContact CB-CE1 3.82Å; E91-F111 HydrophobicContact CB-CE2 3.94Å; E91-F111 HydrophobicContact CB-CG 4.01Å; E91-F111 HydrophobicContact CB-CZ 3.84Å; E91-F111 HydrophobicContact CG-CB 4.07Å; E91-F111 HydrophobicContact CG-CD1 3.98Å; E91-F111 HydrophobicContact CG-CD2 3.56Å; E91-F111 HydrophobicContact CG-CE1 4.33Å; E91-F111 HydrophobicContact CG-CE2 3.93Å; E91-F111 HydrophobicContact CG-CG 3.59Å; E91-F111 HydrophobicContact CG-CZ 4.31Å; H107-F111 WeakPolarHBondContact O-CB 3.41Å; H107-F111 PolarHBondContact O-N 3.39Å; I108-F111 PolarHBondContact O-N 2.83Å; F111-N114 PolarHBondContact O-N 3.45Å; F111-T115 WeakPolarHBondContact O-CB 3.15Å; F111-T115 PolarHBondContact O-N 3.3Å; F111-T115 PolarHBondContact O-OG1 3.02Å
112L98.7Very high96.6Very high0 Ų039.1 Ų39.10%019%0.186CC..Hα-helixtrans-62.2-44.3176.1-76.9169.7000111.5M72 L84 A88 I108 A109 R110 T115 M116 V134 V148M72-L112 HydrophobicContact SD-CD1 3.75Å; L84-L112 HydrophobicContact CB-CD2 4.07Å; L84-L112 HydrophobicContact CD2-CD2 4.08Å; A88-L112 HydrophobicContact CB-CD1 4.32Å; A88-L112 HydrophobicContact CB-CD2 4.05Å; A88-L112 HydrophobicContact CB-CG 4.24Å; I108-L112 HydrophobicContact CG2-CD1 4.29Å; I108-L112 WeakPolarHBondContact O-CG 3.42Å; I108-L112 PolarHBondContact O-N 2.95Å; A109-L112 PolarHBondContact O-N 3.06Å; R110-L112 VanDerWaalsContact C-N 3.35Å; R110-L112 PolarHBondContact O-N 2.62Å; L112-T115 WeakPolarHBondContact O-CB 3.45Å; L112-T115 PolarHBondContact O-N 2.87Å; L112-M116 WeakPolarHBondContact O-CG 3.17Å; L112-M116 PolarHBondContact O-N 3.36Å; L112-V134 HydrophobicContact CD1-CG2 3.68Å; L112-V148 HydrophobicContact CB-CG1 4.29Å; L112-V148 HydrophobicContact CB-CG2 4.34Å
113A98.7Very high96.3Very high0 Ų045 Ų450%022%0.216CC..Hα-helixtrans-58.7-50.6178.300000111.8A109 R110 T115 M116 Q117 V148 G152 Y154A109-A113 WeakPolarHBondContact O-CB 3.42Å; A109-A113 PolarHBondContact O-N 2.74Å; R110-A113 WeakPolarHBondContact O-CB 3.44Å; R110-A113 PolarHBondContact O-N 3.45Å; A113-T115 VanDerWaalsContact C-N 3.3Å; A113-T115 PolarHBondContact O-N 3.4Å; A113-M116 PolarHBondContact O-N 2.87Å; A113-Q117 VanDerWaalsContact O-CB 3.29Å; A113-Q117 WeakPolarHBondContact O-CB 3.45Å; A113-Q117 PolarHBondContact O-N 3.45Å; A113-V148 HydrophobicContact CB-CG1 3.87Å; A113-G152 WeakPolarHBondContact CB-O 3.3Å; A113-G152 VanDerWaalsContact O-CA 3.28Å; A113-G152 WeakPolarHBondContact O-CA 3.45Å; A113-Y154 HydrophobicContact CB-CD1 3.59Å; A113-Y154 HydrophobicContact CB-CE1 4.44Å; A113-Y154 HydrophobicContact CB-CG 3.93Å
114N98.4Very high95.9Very high84 Ų8449.2 Ų49.245%0.44926%0.259SS..Hα-helixtrans-62.5-37.2176.5-72.7-22.1000112.1R110 F111 R118R110-N114 WeakPolarHBondContact O-CB 3.26Å; R110-N114 PolarHBondContact O-N 3.18Å; R110-N114 PolarHBondContact O-ND2 3.31Å; F111-N114 PolarHBondContact O-N 3.45Å; N114-R118 VanDerWaalsContact O-CG 3.32Å; N114-R118 WeakPolarHBondContact O-CG 3.5Å; N114-R118 PolarHBondContact O-N 3.47Å
115T98Very high95.7Very high19 Ų1952.9 Ų52.912%0.11727%0.267CS..Hα-helixtrans-65.2-47.2176.7-62.60000111.1L84 M87 F111 L112 A113 R118 Y119 F128L84-T115 HydrophobicContact CD2-CG2 4.46Å; M87-T115 HydrophobicContact SD-CG2 3.81Å; F111-T115 WeakPolarHBondContact O-CB 3.15Å; F111-T115 PolarHBondContact O-N 3.3Å; F111-T115 PolarHBondContact O-OG1 3.02Å; L112-T115 WeakPolarHBondContact O-CB 3.45Å; L112-T115 PolarHBondContact O-N 2.87Å; A113-T115 VanDerWaalsContact C-N 3.3Å; A113-T115 PolarHBondContact O-N 3.4Å; T115-R118 PolarHBondContact O-N 3.3Å; T115-Y119 HydrophobicContact CG2-CE2 4.44Å; T115-Y119 VanDerWaalsContact O-CD2 3.25Å; T115-Y119 WeakPolarHBondContact O-CD2 3.46Å; T115-F128 HydrophobicContact CG2-CE2 4.45Å
116M98.1Very high95.5Very high0 Ų059 Ų590%029%0.29CS..Hα-helixtrans-62.9-43.7176.6-70.8179175.500111.5L84 L112 A113 R118 Y119 T120 F128 V148 E149L84-M116 HydrophobicContact CD1-CE 3.31Å; L84-M116 HydrophobicContact CD2-CE 4.06Å; L84-M116 HydrophobicContact CD2-CG 4.11Å; L84-M116 HydrophobicContact CG-CE 4.28Å; L112-M116 WeakPolarHBondContact O-CG 3.17Å; L112-M116 PolarHBondContact O-N 3.36Å; A113-M116 PolarHBondContact O-N 2.87Å; M116-R118 VanDerWaalsContact C-N 3.32Å; M116-R118 PolarHBondContact O-N 3.13Å; M116-Y119 WeakPolarHBondContact O-CB 3.3Å; M116-Y119 PolarHBondContact O-N 2.97Å; M116-T120 PolarHBondContact O-N 2.91Å; M116-F128 HydrophobicContact CB-CD2 4.47Å; M116-F128 HydrophobicContact CG-CB 4.47Å; M116-F128 HydrophobicContact CG-CD2 3.98Å; M116-V148 HydrophobicContact CE-CG1 4.38Å; M116-V148 HydrophobicContact SD-CG1 3.64Å; M116-E149 VanDerWaalsContact SD-O 3.39Å
117Q97.2Very high95.4Very high57 Ų5757.1 Ų57.127%0.26628%0.281SS..Hα-helixtrans-56.7-42.7176.9-171.5-86.80.400112A113 Y119 T120 Q121A113-Q117 VanDerWaalsContact O-CB 3.29Å; A113-Q117 WeakPolarHBondContact O-CB 3.45Å; A113-Q117 PolarHBondContact O-N 3.45Å; Q117-Y119 PolarHBondContact O-N 3.5Å; Q117-T120 PolarHBondContact O-N 3.4Å; Q117-T120 PolarHBondContact O-OG1 2.93Å; Q117-Q121 PolarHBondContact O-N 2.87Å
118R96.6Very high95.4Very high171 Ų17156 Ų5665%0.64528%0.275SS*.Hα-helixtrans-60.6-31.9178-74.6173.1-178.1-1641.8112.4N114 T115 M116 T120 Q121 S122N114-R118 VanDerWaalsContact O-CG 3.32Å; N114-R118 WeakPolarHBondContact O-CG 3.5Å; N114-R118 PolarHBondContact O-N 3.47Å; T115-R118 PolarHBondContact O-N 3.3Å; M116-R118 VanDerWaalsContact C-N 3.32Å; M116-R118 PolarHBondContact O-N 3.13Å; R118-T120 VanDerWaalsContact C-N 3.28Å; R118-Q121 PolarHBondContact O-N 3.4Å; R118-S122 VanDerWaalsContact O-CB 3.28Å; R118-S122 WeakPolarHBondContact O-CB 3.42Å; R118-S122 PolarHBondContact O-N 2.81Å; R118-S122 VanDerWaalsContact O-N 3.07Å; R118-S122 PolarHBondContact O-OG 2.73Å
119Y95.8Very high95.4Very high44 Ų4456 Ų5617%0.17328%0.276CS..Hα-helixtrans-77.5-11.7177.1-80.2-120000113.1T115 M116 Q117 R125 R126 F128T115-Y119 HydrophobicContact CG2-CE2 4.44Å; T115-Y119 VanDerWaalsContact O-CD2 3.25Å; T115-Y119 WeakPolarHBondContact O-CD2 3.46Å; M116-Y119 WeakPolarHBondContact O-CB 3.3Å; M116-Y119 PolarHBondContact O-N 2.97Å; Q117-Y119 PolarHBondContact O-N 3.5Å; Y119-R125 HydrophobicContact CD1-CB 3.87Å; Y119-R125 HydrophobicContact CD1-CG 4.46Å; Y119-R125 HydrophobicContact CE1-CB 4.35Å; Y119-R125 VanDerWaalsContact CE2-NH1 3.25Å; Y119-R125 HydrophobicContact CG-CB 4.38Å; Y119-R125 PolarHBondContact OH-NH1 3.5Å; Y119-R126 WeakPolarHBondContact CD1-O 3.48Å; Y119-F128 HydrophobicContact CD1-CD2 4.17Å; Y119-F128 AromaticContact CD1-CE2 3.59Å; Y119-F128 HydrophobicContact CD1-CE2 3.59Å; Y119-F128 AromaticContact CD1-CZ 3.94Å; Y119-F128 HydrophobicContact CD1-CZ 3.94Å; Y119-F128 HydrophobicContact CD2-CD2 4.46Å; Y119-F128 AromaticContact CD2-CE2 3.61Å; Y119-F128 HydrophobicContact CD2-CE2 3.61Å; Y119-F128 HydrophobicContact CD2-CZ 4.33Å; Y119-F128 HydrophobicContact CE1-CE1 4.46Å; Y119-F128 AromaticContact CE1-CE2 3.74Å; Y119-F128 HydrophobicContact CE1-CE2 3.74Å; Y119-F128 AromaticContact CE1-CZ 3.62Å; Y119-F128 HydrophobicContact CE1-CZ 3.62Å; Y119-F128 AromaticContact CE2-CE2 3.75Å; Y119-F128 HydrophobicContact CE2-CE2 3.75Å; Y119-F128 HydrophobicContact CE2-CZ 4.03Å; Y119-F128 HydrophobicContact CG-CD2 4.04Å; Y119-F128 AromaticContact CG-CE2 3.52Å; Y119-F128 HydrophobicContact CG-CE2 3.52Å; Y119-F128 HydrophobicContact CG-CZ 4.28Å; Y119-F128 AromaticContact CZ-CE2 3.79Å; Y119-F128 AromaticContact CZ-CZ 3.65Å
120T94.5Very high95.4Very high9 Ų956.1 Ų56.16%0.05528%0.276CS..Hα-helixtrans-90.9-11.4171730000112.8I8 V20 M116 Q117 R118 P127 P150I8-T120 WeakPolarHBondContact CG2-O 3.45Å; V20-T120 HydrophobicContact CG2-CG2 3.77Å; M116-T120 PolarHBondContact O-N 2.91Å; Q117-T120 PolarHBondContact O-N 3.4Å; Q117-T120 PolarHBondContact O-OG1 2.93Å; R118-T120 VanDerWaalsContact C-N 3.28Å; T120-P127 HydrophobicContact CG2-CB 4.19Å; T120-P127 HydrophobicContact CG2-CG 4.22Å; T120-P150 WeakPolarHBondContact CG2-O 3.44Å
121Q91.5Very high95.4Very high122 Ų12251.9 Ų51.957%0.5726%0.26SS*.Hα-helixtrans-117.3-8.7-177.1-61.6-170.3-22.400114Q117 R118Q117-Q121 PolarHBondContact O-N 2.87Å; R118-Q121 PolarHBondContact O-N 3.4Å
122S89.9Confident95.3Very high43 Ų4349.5 Ų49.530%0.30125%0.25SS..SBendtrans-95.9128.1-178.8-60.30000111.8R118R118-S122 VanDerWaalsContact O-CB 3.28Å; R118-S122 WeakPolarHBondContact O-CB 3.42Å; R118-S122 PolarHBondContact O-N 2.81Å; R118-S122 VanDerWaalsContact O-N 3.07Å; R118-S122 PolarHBondContact O-OG 2.73Å
123N85.3Confident95.3Very high133 Ų13349.6 Ų49.671%0.71125%0.251SS*.THydrogen-bonded Turntrans-60.9142.4170.3-69.6-31.4000111.1R125N123-R125 VanDerWaalsContact C-N 3.31Å; N123-R125 PolarHBondContact O-N 3.06Å
124G87.7Confident95.3Very high88 Ų8849.6 Ų49.691%0.90725%0.251SS*.THydrogen-bonded Turntrans78.45.2176.500000115.7
125R90.9Very high95.3Very high122 Ų12245.6 Ų45.646%0.4623%0.229SC..  trans-124.7128.3174.8-59.5-169.5-177.5-146-0.6109.8I8 Y119 N123I8-R125 VanDerWaalsContact CD1-C 3.48Å; I8-R125 WeakPolarHBondContact CD1-O 2.84Å; Y119-R125 HydrophobicContact CD1-CB 3.87Å; Y119-R125 HydrophobicContact CD1-CG 4.46Å; Y119-R125 HydrophobicContact CE1-CB 4.35Å; Y119-R125 VanDerWaalsContact CE2-NH1 3.25Å; Y119-R125 HydrophobicContact CG-CB 4.38Å; Y119-R125 PolarHBondContact OH-NH1 3.5Å; N123-R125 VanDerWaalsContact C-N 3.31Å; N123-R125 PolarHBondContact O-N 3.06Å
126R93.7Very high95.3Very high130 Ų13044.7 Ų44.749%0.49122%0.224SC..PPolyproline II helixtrans-76.6150171.264.3171-177.576.3-0.9112.1D80 Y119D80-R126 IonicContact OD1-CZ 2.67Å; D80-R126 IonicContact OD1-NH1 3.87Å; D80-R126 PolarHBondContact OD1-NH1 3.48Å; D80-R126 IonicContact OD1-NH2 2.73Å; D80-R126 PolarHBondContact OD1-NH2 2.92Å; D80-R126 IonicContact OD2-CZ 3.83Å; D80-R126 IonicContact OD2-NH1 3.46Å; D80-R126 PolarHBondContact OD2-NH1 3.25Å; D80-R126 IonicContact OD2-NH2 3.7Å; D80-R126 PolarHBondContact OD2-NH2 3.21Å; Y119-R126 WeakPolarHBondContact CD1-O 3.48Å
127P96.5Very high95.2Very high5 Ų544.7 Ų44.73%0.03222%0.224CC..PPolyproline II helixtrans-55.7152.9167.7-24.935.7000112.1I8 Q19 V20 A23 T120 G129I8-P127 HydrophobicContact CG2-CG 4.11Å; Q19-P127 HydrophobicContact CB-CG 4.21Å; V20-P127 HydrophobicContact CG2-CG 4.38Å; A23-P127 HydrophobicContact CB-CB 4.09Å; T120-P127 HydrophobicContact CG2-CB 4.19Å; T120-P127 HydrophobicContact CG2-CG 4.22Å; P127-G129 PolarHBondContact O-N 3.05Å
128F98Very high95Very high9 Ų943.3 Ų43.34%0.03922%0.218CC..PPolyproline II helixtrans-72.3127.4172.7-70.8-81.9000109.9D80 V83 L84 T115 M116 Y119 V130 P150D80-F128 HydrophobicContact CB-CD1 3.88Å; V83-F128 HydrophobicContact CB-CE1 4.37Å; V83-F128 HydrophobicContact CG1-CE1 4.19Å; V83-F128 HydrophobicContact CG1-CZ 4.42Å; L84-F128 HydrophobicContact CD1-CB 4.14Å; L84-F128 HydrophobicContact CD1-CD1 3.87Å; L84-F128 HydrophobicContact CD1-CE1 4.39Å; L84-F128 HydrophobicContact CD1-CG 3.96Å; L84-F128 HydrophobicContact CD2-CD1 4.18Å; L84-F128 HydrophobicContact CD2-CD2 4.01Å; L84-F128 HydrophobicContact CD2-CE1 4.05Å; L84-F128 HydrophobicContact CD2-CE2 3.86Å; L84-F128 HydrophobicContact CD2-CG 4.15Å; L84-F128 HydrophobicContact CD2-CZ 3.87Å; L84-F128 HydrophobicContact CG-CD1 3.9Å; L84-F128 HydrophobicContact CG-CE1 3.91Å; L84-F128 HydrophobicContact CG-CG 4.23Å; L84-F128 HydrophobicContact CG-CZ 4.25Å; T115-F128 HydrophobicContact CG2-CE2 4.45Å; M116-F128 HydrophobicContact CB-CD2 4.47Å; M116-F128 HydrophobicContact CG-CB 4.47Å; M116-F128 HydrophobicContact CG-CD2 3.98Å; Y119-F128 HydrophobicContact CD1-CD2 4.17Å; Y119-F128 AromaticContact CD1-CE2 3.59Å; Y119-F128 HydrophobicContact CD1-CE2 3.59Å; Y119-F128 AromaticContact CD1-CZ 3.94Å; Y119-F128 HydrophobicContact CD1-CZ 3.94Å; Y119-F128 HydrophobicContact CD2-CD2 4.46Å; Y119-F128 AromaticContact CD2-CE2 3.61Å; Y119-F128 HydrophobicContact CD2-CE2 3.61Å; Y119-F128 HydrophobicContact CD2-CZ 4.33Å; Y119-F128 HydrophobicContact CE1-CE1 4.46Å; Y119-F128 AromaticContact CE1-CE2 3.74Å; Y119-F128 HydrophobicContact CE1-CE2 3.74Å; Y119-F128 AromaticContact CE1-CZ 3.62Å; Y119-F128 HydrophobicContact CE1-CZ 3.62Å; Y119-F128 AromaticContact CE2-CE2 3.75Å; Y119-F128 HydrophobicContact CE2-CE2 3.75Å; Y119-F128 HydrophobicContact CE2-CZ 4.03Å; Y119-F128 HydrophobicContact CG-CD2 4.04Å; Y119-F128 AromaticContact CG-CE2 3.52Å; Y119-F128 HydrophobicContact CG-CE2 3.52Å; Y119-F128 HydrophobicContact CG-CZ 4.28Å; Y119-F128 AromaticContact CZ-CE2 3.79Å; Y119-F128 AromaticContact CZ-CZ 3.65Å; F128-V130 PolarHBondContact O-N 3.35Å; F128-P150 VanDerWaalsContact O-CB 3.32Å; F128-P150 WeakPolarHBondContact O-CB 3.43Å
129G97.8Very high94.6Very high2 Ų236.9 Ų36.92%0.02120%0.202CC..  trans-82.146.3176.100000112.1G76 L77 D80 P127G76-G129 CarbonylContact C-O 3.54Å; G76-G129 VanDerWaalsContact CA-O 3.27Å; G76-G129 WeakPolarHBondContact CA-O 3.39Å; L77-G129 PolarHBondContact N-O 2.93Å; D80-G129 PolarHBondContact OD2-N 3.28Å; P127-G129 PolarHBondContact O-N 3.05Å
130V98.1Very high94.2Very high1 Ų139.4 Ų39.41%0.00622%0.218CC..EExtended strand (participates in β ladder)trans-139.4135.4-170.8175.10000111.1F74 A75 L77 D80 A81 L84 F128 P150F74-V130 HydrophobicContact CB-CG1 3.84Å; F74-V130 HydrophobicContact CD2-CG1 4.43Å; F74-V130 HydrophobicContact CG-CG1 4.45Å; A75-V130 WeakPolarHBondContact O-CA 3.08Å; L77-V130 HydrophobicContact CB-CG2 4.45Å; L77-V130 VanDerWaalsContact O-CG2 3.25Å; L77-V130 WeakPolarHBondContact O-CG2 3.18Å; D80-V130 HydrophobicContact CB-CG2 3.45Å; D80-V130 VanDerWaalsContact CB-CG2 3.45Å; A81-V130 HydrophobicContact CB-CG1 4.27Å; A81-V130 HydrophobicContact CB-CG2 4.14Å; L84-V130 HydrophobicContact CD1-CB 4.06Å; L84-V130 HydrophobicContact CD1-CG1 4.13Å; F128-V130 PolarHBondContact O-N 3.35Å; V130-P150 WeakPolarHBondContact O-CD 3.44Å; V130-P150 WeakPolarHBondContact O-CG 3.04Å
131S98.5Very high94Very high0 Ų039.2 Ų39.20%022%0.218CC..EExtended strand (participates in β ladder)trans-109.9126.5164.4-174.80000107.6V27 F74 A75 Q147 V148 E149 T162V27-S131 VanDerWaalsContact CG1-CB 3.45Å; F74-S131 CarbonylContact C-O 3.59Å; F74-S131 VanDerWaalsContact CA-O 3.26Å; F74-S131 WeakPolarHBondContact CA-O 3.39Å; A75-S131 PolarHBondContact N-O 3.46Å; A75-S131 PolarHBondContact O-N 3.24Å; S131-Q147 PolarHBondContact OG-NE2 2.91Å; S131-V148 CarbonylContact C-O 3.26Å; S131-V148 WeakPolarHBondContact CA-O 3.42Å; S131-E149 WeakPolarHBondContact CB-OE2 3.34Å; S131-E149 VanDerWaalsContact OG-CD 3.3Å; S131-E149 PolarHBondContact OG-OE2 3.33Å; S131-T162 WeakPolarHBondContact CB-OG1 3.22Å; S131-T162 PolarHBondContact OG-OG1 3.01Å
132A98.4Very high94.1Very high1 Ų135.9 Ų35.91%0.00821%0.206CC..EExtended strand (participates in β ladder)trans-109.3139.6-176.300000110.7M72 A73 Q147 V148M72-A132 HydrophobicContact CG-CB 4.14Å; M72-A132 HydrophobicContact SD-CB 3.93Å; A73-A132 CarbonylContact O-C 3.55Å; A73-A132 WeakPolarHBondContact O-CA 3.32Å; A132-Q147 CarbonylContact O-C 3.57Å; A132-Q147 WeakPolarHBondContact O-CA 3.31Å; A132-V148 HydrophobicContact CB-CB 4.47Å; A132-V148 PolarHBondContact N-O 3Å; A132-V148 PolarHBondContact O-N 3.44Å
133I98.6Very high94.5Very high2 Ų234.5 Ų34.51%0.0120%0.196CC..EExtended strand (participates in β ladder)trans-105.5113.8165.9-62-179.7000107A33 L44 M72 A73 L145 F146 T162A33-I133 HydrophobicContact CB-CD1 4.27Å; A33-I133 WeakPolarHBondContact O-CD1 3.29Å; L44-I133 HydrophobicContact CD2-CB 4.47Å; L44-I133 HydrophobicContact CD2-CG2 3.59Å; M72-I133 CarbonylContact C-O 3.39Å; M72-I133 VanDerWaalsContact CA-O 3.28Å; M72-I133 WeakPolarHBondContact CA-O 3.37Å; A73-I133 PolarHBondContact N-O 3.04Å; A73-I133 PolarHBondContact O-N 2.73Å; I133-L145 HydrophobicContact CG2-CD1 3.36Å; I133-L145 HydrophobicContact CG2-CG 4.45Å; I133-F146 CarbonylContact C-O 3.5Å; I133-F146 WeakPolarHBondContact CA-O 3.33Å; I133-T162 HydrophobicContact CD1-CG2 3.9Å; I133-T162 HydrophobicContact CG1-CG2 3.9Å
134V98.5Very high95.1Very high0 Ų029.8 Ų29.80%017%0.17CC..EExtended strand (participates in β ladder)trans-100.9122.1176.3-175.30000107.8I70 M72 V105 I108 A109 L112 F146 V148I70-V134 HydrophobicContact CG2-CG1 3.87Å; M72-V134 HydrophobicContact CG-CG2 4.28Å; V105-V134 HydrophobicContact CG1-CG1 4.08Å; I108-V134 HydrophobicContact CG2-CG1 4.22Å; A109-V134 HydrophobicContact CB-CB 4.46Å; L112-V134 HydrophobicContact CD1-CG2 3.68Å; V134-F146 HydrophobicContact CB-CB 4.43Å; V134-F146 PolarHBondContact N-O 3.37Å; V134-F146 PolarHBondContact O-N 3.49Å; V134-V148 HydrophobicContact CG2-CG2 4.33Å
135A98.2Very high95.6Very high0 Ų025.7 Ų25.70%013%0.127CC..EExtended strand (participates in β ladder)trans-130.7144.2-177.400000110V42 L44 I70 I71 H144 L145V42-A135 HydrophobicContact CB-CB 4.43Å; V42-A135 HydrophobicContact CG1-CB 3.89Å; V42-A135 HydrophobicContact CG2-CB 3.66Å; L44-A135 HydrophobicContact CD1-CB 4.09Å; L44-A135 HydrophobicContact CD2-CB 3.81Å; L44-A135 HydrophobicContact CG-CB 3.94Å; I70-A135 WeakPolarHBondContact CA-O 3.41Å; I71-A135 HydrophobicContact CG1-CB 4.03Å; I71-A135 WeakPolarHBondContact CG1-O 3.45Å; I71-A135 PolarHBondContact N-O 2.91Å; I71-A135 PolarHBondContact O-N 2.88Å; I71-A135 VanDerWaalsContact O-O 3.04Å; A135-H144 WeakPolarHBondContact CA-O 3.48Å; A135-L145 HydrophobicContact CB-CD1 3.91Å
136G97.1Very high96Very high0 Ų020.3 Ų20.30%011%0.107CC..EExtended strand (participates in β ladder)trans-174.2-178.4173.400000112.2H69 H144H69-G136 WeakPolarHBondContact O-CA 3.41Å; G136-H144 PolarHBondContact N-O 3.17Å; G136-H144 VanDerWaalsContact N-O 3.1Å; G136-H144 PolarHBondContact O-N 3.16Å
137V95.7Very high96.2Very high0 Ų014.4 Ų14.40%09%0.085CC..EExtended strand (participates in β ladder)trans-125.4125.6173.5-176.40000107.8V42 H69 G141 T142 P143 V212 Y214 I226V42-V137 HydrophobicContact CG1-CG2 4.38Å; H69-V137 WeakPolarHBondContact CB-O 3.41Å; H69-V137 PolarHBondContact CD2-O 2.83Å; H69-V137 VanDerWaalsContact CD2-O 3.27Å; H69-V137 PolarHBondContact O-N 3.07Å; V137-G141 WeakPolarHBondContact CG1-O 3.37Å; V137-T142 WeakPolarHBondContact CA-O 3.33Å; V137-P143 HydrophobicContact CG2-CB 4.15Å; V137-V212 HydrophobicContact CB-CG1 4.2Å; V137-V212 HydrophobicContact CG2-CB 4.28Å; V137-V212 HydrophobicContact CG2-CG1 3.83Å; V137-Y214 HydrophobicContact CG1-CG 4.46Å; V137-I226 WeakPolarHBondContact O-CD1 3.43Å
138N93.5Very high96.3Very high28 Ų2814.2 Ų14.215%0.158%0.083CC..  trans-69168.8176.5-74.6-18.1000110.9V105 D140 G141 T142 H144V105-N138 WeakPolarHBondContact CG2-OD1 3.22Å; V105-N138 PolarHBondContact N-OD1 3.36Å; N138-D140 VanDerWaalsContact CB-OD1 3.29Å; N138-D140 WeakPolarHBondContact CB-OD1 3.48Å; N138-D140 PolarHBondContact O-N 3.46Å; N138-G141 WeakPolarHBondContact O-CA 3.47Å; N138-G141 PolarHBondContact O-N 3.09Å; N138-T142 PolarHBondContact N-O 2.91Å; N138-H144 PolarHBondContact ND2-CD2 3.4Å; N138-H144 PolarHBondContact ND2-NE2 3.01Å
139A87.5Confident96.3Very high36 Ų3615.7 Ų15.730%0.2989%0.09SC..THydrogen-bonded Turntrans-55.6-35.6179.200000113.3G141 Y214 V222A139-G141 PolarHBondContact O-N 3.47Å; A139-Y214 WeakPolarHBondContact O-CE2 3.08Å; A139-Y214 PolarHBondContact O-OH 3.24Å; A139-V222 VanDerWaalsContact C-CG1 3.44Å; A139-V222 VanDerWaalsContact CA-CG1 3.43Å; A139-V222 HydrophobicContact CB-CG1 3.59Å; A139-V222 WeakPolarHBondContact O-CG1 3.25Å
140D88.2Confident96.3Very high97 Ų9715.6 Ų15.652%0.5199%0.089SC..THydrogen-bonded Turntrans-72.4-4.8176.362-2.9000114.4N138 T142N138-D140 VanDerWaalsContact CB-OD1 3.29Å; N138-D140 WeakPolarHBondContact CB-OD1 3.48Å; N138-D140 PolarHBondContact O-N 3.46Å; D140-T142 WeakPolarHBondContact OD1-CG2 3.41Å; D140-T142 PolarHBondContact OD1-N 3.03Å; D140-T142 PolarHBondContact OD1-OG1 2.94Å; D140-T142 WeakPolarHBondContact OD2-CG2 3.36Å
141G90.8Very high96.2Very high5 Ų517 Ų175%0.05210%0.099CC..SBendtrans90.15.1-177.200000114.3V137 N138 A139 P143 Y214V137-G141 WeakPolarHBondContact CG1-O 3.37Å; N138-G141 WeakPolarHBondContact O-CA 3.47Å; N138-G141 PolarHBondContact O-N 3.09Å; A139-G141 PolarHBondContact O-N 3.47Å; G141-P143 WeakPolarHBondContact O-CD 3.45Å; G141-Y214 VanDerWaalsContact CA-CG 3.44Å
142T94.1Very high96.2Very high52 Ų5217.6 Ų17.632%0.31911%0.106SC..  trans-75.6119.9178.363.90000111.1V137 N138 D140 H144V137-T142 WeakPolarHBondContact CA-O 3.33Å; N138-T142 PolarHBondContact N-O 2.91Å; D140-T142 WeakPolarHBondContact OD1-CG2 3.41Å; D140-T142 PolarHBondContact OD1-N 3.03Å; D140-T142 PolarHBondContact OD1-OG1 2.94Å; D140-T142 WeakPolarHBondContact OD2-CG2 3.36Å; T142-H144 PolarHBondContact O-CD2 2.96Å; T142-H144 VanDerWaalsContact O-CD2 3.28Å; T142-H144 PolarHBondContact OG1-NE2 3.26Å
143P96.5Very high96.1Very high14 Ų1420 Ų209%0.09112%0.12CC..EExtended strand (participates in β ladder)trans-76.8142.6175.531-32.6000110.5K37 G38 C41 V42 V137 G141K37-P143 HydrophobicContact CD-CB 4.32Å; K37-P143 HydrophobicContact CD-CG 4.15Å; K37-P143 WeakPolarHBondContact CD-O 3.31Å; K37-P143 HydrophobicContact CG-CB 4.04Å; K37-P143 HydrophobicContact CG-CG 3.9Å; G38-P143 VanDerWaalsContact O-CG 3.29Å; G38-P143 WeakPolarHBondContact O-CG 3.4Å; C41-P143 WeakPolarHBondContact O-CB 3.38Å; V42-P143 HydrophobicContact CB-CB 4.43Å; V137-P143 HydrophobicContact CG2-CB 4.15Å; G141-P143 WeakPolarHBondContact O-CD 3.45Å
144H98.1Very high96.1Very high34 Ų3423.1 Ų23.116%0.15713%0.132CC..EExtended strand (participates in β ladder)trans-133.3146177.4-68.6-76.3000111.4V105 A135 G136 N138 T142 F146 E156V105-H144 HydrophobicContact CB-CB 3.85Å; V105-H144 HydrophobicContact CG1-CB 3.91Å; V105-H144 HydrophobicContact CG2-CB 4.21Å; A135-H144 WeakPolarHBondContact CA-O 3.48Å; G136-H144 PolarHBondContact N-O 3.17Å; G136-H144 VanDerWaalsContact N-O 3.1Å; G136-H144 PolarHBondContact O-N 3.16Å; N138-H144 PolarHBondContact ND2-CD2 3.4Å; N138-H144 PolarHBondContact ND2-NE2 3.01Å; T142-H144 PolarHBondContact O-CD2 2.96Å; T142-H144 VanDerWaalsContact O-CD2 3.28Å; T142-H144 PolarHBondContact OG1-NE2 3.26Å; H144-F146 HydrophobicContact CB-CD2 4.26Å; H144-F146 HydrophobicContact CB-CE2 3.72Å; H144-E156 IonicContact CE1-OE1 3.22Å; H144-E156 IonicContact CG-OE1 3.06Å; H144-E156 IonicContact ND1-OE1 2.83Å; H144-E156 PolarHBondContact ND1-OE1 3.5Å
145L98.6Very high96.1Very high1 Ų129.9 Ų29.91%0.00516%0.159CC..EExtended strand (participates in β ladder)trans-141.4110-179.9178.569.7000108.9G35 K37 V42 L44 I133 A135 E156 W157G35-L145 VanDerWaalsContact C-CD2 3.48Å; G35-L145 WeakPolarHBondContact O-CD2 3.28Å; K37-L145 HydrophobicContact CB-CB 4.4Å; V42-L145 HydrophobicContact CG2-CB 4.24Å; V42-L145 HydrophobicContact CG2-CD1 4.08Å; L44-L145 HydrophobicContact CD2-CD1 4.18Å; I133-L145 HydrophobicContact CG2-CD1 3.36Å; I133-L145 HydrophobicContact CG2-CG 4.45Å; A135-L145 HydrophobicContact CB-CD1 3.91Å; L145-E156 CarbonylContact O-C 3.55Å; L145-E156 WeakPolarHBondContact O-CA 3.42Å; L145-E156 WeakPolarHBondContact O-CG 3.36Å; L145-W157 HydrophobicContact CD2-CB 4.26Å; L145-W157 PolarHBondContact O-N 3.02Å
146F98.8Very high96.1Very high9 Ų934.1 Ų34.14%0.03918%0.179CC..EExtended strand (participates in β ladder)trans-112.6146.3178.8-67.1-87.6000111V105 D106 A109 I133 V134 H144 Y154 Y155 E156V105-F146 HydrophobicContact CB-CE2 4.43Å; V105-F146 HydrophobicContact CG1-CD2 3.96Å; V105-F146 HydrophobicContact CG1-CE2 4.17Å; D106-F146 HydrophobicContact CB-CE1 4.47Å; D106-F146 HydrophobicContact CB-CE2 3.87Å; D106-F146 HydrophobicContact CB-CZ 3.62Å; A109-F146 HydrophobicContact CB-CB 3.6Å; A109-F146 HydrophobicContact CB-CD1 4.15Å; A109-F146 HydrophobicContact CB-CD2 3.95Å; A109-F146 HydrophobicContact CB-CG 3.64Å; I133-F146 CarbonylContact C-O 3.5Å; I133-F146 WeakPolarHBondContact CA-O 3.33Å; V134-F146 HydrophobicContact CB-CB 4.43Å; V134-F146 PolarHBondContact N-O 3.37Å; V134-F146 PolarHBondContact O-N 3.49Å; H144-F146 HydrophobicContact CB-CD2 4.26Å; H144-F146 HydrophobicContact CB-CE2 3.72Å; F146-Y154 HydrophobicContact CD1-CD2 4.03Å; F146-Y154 HydrophobicContact CE1-CD2 4.42Å; F146-Y154 HydrophobicContact CE1-CE2 4.48Å; F146-Y155 VanDerWaalsContact CA-O 3.31Å; F146-Y155 WeakPolarHBondContact CA-O 3.3Å; F146-E156 HydrophobicContact CD1-CB 3.87Å; F146-E156 HydrophobicContact CD1-CG 4.21Å; F146-E156 HydrophobicContact CE1-CB 3.56Å; F146-E156 HydrophobicContact CE1-CG 3.85Å; F146-E156 HydrophobicContact CE2-CG 4.44Å; F146-E156 HydrophobicContact CZ-CB 4.16Å; F146-E156 HydrophobicContact CZ-CG 3.96Å
147Q98.5Very high96.2Very high7 Ų737.9 Ų37.93%0.03319%0.193CC..EExtended strand (participates in β ladder)trans-111.3133.3164.9-167.1-1705.300108.9S131 A132 E149 Y154 Y155 N160S131-Q147 PolarHBondContact OG-NE2 2.91Å; A132-Q147 CarbonylContact O-C 3.57Å; A132-Q147 WeakPolarHBondContact O-CA 3.31Å; Q147-E149 VanDerWaalsContact CD-OE1 3.31Å; Q147-E149 VanDerWaalsContact NE2-CD 3.34Å; Q147-E149 PolarHBondContact NE2-OE1 3.46Å; Q147-Y154 WeakPolarHBondContact O-CA 3.46Å; Q147-Y155 PolarHBondContact N-O 2.85Å; Q147-Y155 PolarHBondContact O-N 2.87Å; Q147-Y155 VanDerWaalsContact O-N 3.07Å; Q147-N160 PolarHBondContact OE1-ND2 3.34Å
148V98.7Very high96.3Very high0 Ų046.3 Ų46.30%023%0.225CC..EExtended strand (participates in β ladder)trans-117.4126.8174.9-169.50000108.9A109 L112 A113 M116 S131 A132 V134A109-V148 HydrophobicContact CB-CG2 4.33Å; L112-V148 HydrophobicContact CB-CG1 4.29Å; L112-V148 HydrophobicContact CB-CG2 4.34Å; A113-V148 HydrophobicContact CB-CG1 3.87Å; M116-V148 HydrophobicContact CE-CG1 4.38Å; M116-V148 HydrophobicContact SD-CG1 3.64Å; S131-V148 CarbonylContact C-O 3.26Å; S131-V148 WeakPolarHBondContact CA-O 3.42Å; A132-V148 HydrophobicContact CB-CB 4.47Å; A132-V148 PolarHBondContact N-O 3Å; A132-V148 PolarHBondContact O-N 3.44Å; V134-V148 HydrophobicContact CG2-CG2 4.33Å
149E98.3Very high96.5Very high40 Ų4045.9 Ų45.919%0.18723%0.225CC..  trans-106.3159.1-175-65.7-73.1-162.700112.6M116 S131 Q147 S151 G152 T153M116-E149 VanDerWaalsContact SD-O 3.39Å; S131-E149 WeakPolarHBondContact CB-OE2 3.34Å; S131-E149 VanDerWaalsContact OG-CD 3.3Å; S131-E149 PolarHBondContact OG-OE2 3.33Å; Q147-E149 VanDerWaalsContact CD-OE1 3.31Å; Q147-E149 VanDerWaalsContact NE2-CD 3.34Å; Q147-E149 PolarHBondContact NE2-OE1 3.46Å; E149-S151 PolarHBondContact O-N 3.33Å; E149-G152 PolarHBondContact O-N 3.07Å; E149-T153 PolarHBondContact N-O 2.8Å
150P97.8Very high97Very high0 Ų044.3 Ų44.30%021%0.212CC..THydrogen-bonded Turntrans-50.2-27.6177.8-32.837.1000116.2A23 Q24 V27 T120 F128 V130 G152A23-P150 HydrophobicContact CB-CB 3.81Å; A23-P150 HydrophobicContact CB-CG 4.3Å; Q24-P150 HydrophobicContact CG-CB 4.38Å; Q24-P150 HydrophobicContact CG-CG 4.18Å; V27-P150 HydrophobicContact CG2-CG 3.86Å; T120-P150 WeakPolarHBondContact CG2-O 3.44Å; F128-P150 VanDerWaalsContact O-CB 3.32Å; F128-P150 WeakPolarHBondContact O-CB 3.43Å; V130-P150 WeakPolarHBondContact O-CD 3.44Å; V130-P150 WeakPolarHBondContact O-CG 3.04Å; P150-G152 PolarHBondContact O-N 3.02Å
151S96.5Very high97.5Very high31 Ų3139.7 Ų39.722%0.21719%0.187CC..THydrogen-bonded Turntrans-67-18.1176.151.90000113.6E149 T153E149-S151 PolarHBondContact O-N 3.33Å; S151-T153 PolarHBondContact OG-N 2.79Å; S151-T153 PolarHBondContact OG-OG1 2.83Å
152G97.4Very high97.9Very high13 Ų1339.6 Ų39.613%0.13419%0.186CC..SBendtrans85.910.9-169.200000114.2A113 E149 P150A113-G152 WeakPolarHBondContact CB-O 3.3Å; A113-G152 VanDerWaalsContact O-CA 3.28Å; A113-G152 WeakPolarHBondContact O-CA 3.45Å; E149-G152 PolarHBondContact O-N 3.07Å; P150-G152 PolarHBondContact O-N 3.02Å
153T97.7Very high98Very high52 Ų5237.2 Ų37.232%0.31917%0.171SC..  trans-80.7143.8169.255.80000110.4E149 S151E149-T153 PolarHBondContact N-O 2.8Å; S151-T153 PolarHBondContact OG-N 2.79Å; S151-T153 PolarHBondContact OG-OG1 2.83Å
154Y98Very high98Very high67 Ų6740.4 Ų40.426%0.26318%0.182SC..EExtended strand (participates in β ladder)trans-135144.2171.674.3-65.6000111.1A109 R110 A113 F146 Q147A109-Y154 HydrophobicContact CB-CD2 4.15Å; R110-Y154 HydrophobicContact CB-CE1 4.48Å; R110-Y154 HydrophobicContact CB-CE2 4.17Å; R110-Y154 HydrophobicContact CG-CE1 4.34Å; R110-Y154 PolarHBondContact NE-OH 3.47Å; R110-Y154 VanDerWaalsContact NE-OH 3.15Å; R110-Y154 PolarHBondContact NH2-OH 2.83Å; A113-Y154 HydrophobicContact CB-CD1 3.59Å; A113-Y154 HydrophobicContact CB-CE1 4.44Å; A113-Y154 HydrophobicContact CB-CG 3.93Å; F146-Y154 HydrophobicContact CD1-CD2 4.03Å; F146-Y154 HydrophobicContact CE1-CD2 4.42Å; F146-Y154 HydrophobicContact CE1-CE2 4.48Å; Q147-Y154 WeakPolarHBondContact O-CA 3.46Å
155Y98.3Very high97.9Very high142 Ų14241.2 Ų41.256%0.55719%0.191SC*.EExtended strand (participates in β ladder)trans-141.6147.9179.3-61.5-73.5000110.4F146 Q147 W157F146-Y155 VanDerWaalsContact CA-O 3.31Å; F146-Y155 WeakPolarHBondContact CA-O 3.3Å; Q147-Y155 PolarHBondContact N-O 2.85Å; Q147-Y155 PolarHBondContact O-N 2.87Å; Q147-Y155 VanDerWaalsContact O-N 3.07Å; Y155-W157 PolarHBondContact O-NE1 3.11Å
156E98.5Very high97.8Very high89 Ų8943 Ų4342%0.41620%0.202SC..EExtended strand (participates in β ladder)trans-85.1142.1171.9-160.4-177.5171.300110.9K37 H144 L145 F146K37-E156 IonicContact NZ-OE1 2.87Å; K37-E156 PolarHBondContact NZ-OE1 3.28Å; H144-E156 IonicContact CE1-OE1 3.22Å; H144-E156 IonicContact CG-OE1 3.06Å; H144-E156 IonicContact ND1-OE1 2.83Å; H144-E156 PolarHBondContact ND1-OE1 3.5Å; L145-E156 CarbonylContact O-C 3.55Å; L145-E156 WeakPolarHBondContact O-CA 3.42Å; L145-E156 WeakPolarHBondContact O-CG 3.36Å; F146-E156 HydrophobicContact CD1-CB 3.87Å; F146-E156 HydrophobicContact CD1-CG 4.21Å; F146-E156 HydrophobicContact CE1-CB 3.56Å; F146-E156 HydrophobicContact CE1-CG 3.85Å; F146-E156 HydrophobicContact CE2-CG 4.44Å; F146-E156 HydrophobicContact CZ-CB 4.16Å; F146-E156 HydrophobicContact CZ-CG 3.96Å
157W98.4Very high97.7Very high78 Ų7846.9 Ų46.930%0.29523%0.23SC..  trans-131.1155.2-176.9-61.984.1000112.1L145 Y155 N160L145-W157 HydrophobicContact CD2-CB 4.26Å; L145-W157 PolarHBondContact O-N 3.02Å; Y155-W157 PolarHBondContact O-NE1 3.11Å; W157-N160 HydrophobicContact CB-CB 3.75Å; W157-N160 HydrophobicContact CD2-CB 3.74Å; W157-N160 HydrophobicContact CE3-CB 3.96Å; W157-N160 HydrophobicContact CG-CB 3.61Å; W157-N160 PolarHBondContact NE1-ND2 3.05Å; W157-N160 VanDerWaalsContact NE1-ND2 3.19Å
158R97.9Very high97.7Very high177 Ų17750.7 Ų50.767%0.66825%0.25SC*.SBendtrans-83.5-44.1167.4-69.9-174.5-178-170.3-1.3111.4K37 Y177K37-R158 WeakPolarHBondContact CA-O 3.47Å; K37-R158 WeakPolarHBondContact CB-O 3.37Å; K37-R158 PolarHBondContact N-O 3.13Å; R158-Y177 HydrophobicContact CB-CD1 4.5Å; R158-Y177 HydrophobicContact CB-CE1 3.82Å; R158-Y177 HydrophobicContact CB-CE2 4.21Å; R158-Y177 HydrophobicContact CG-CE1 4.4Å; R158-Y177 WeakPolarHBondContact O-CE2 3.45Å
159A98.4Very high97.7Very high19 Ų1950.7 Ų50.716%0.15725%0.25CC..EExtended strand (participates in β ladder)trans-149.7146.516500000107.3G35 V36 L173 Y177G35-A159 CarbonylContact O-C 3.54Å; G35-A159 VanDerWaalsContact O-CA 3.22Å; G35-A159 WeakPolarHBondContact O-CA 3.29Å; V36-A159 HydrophobicContact CG2-CB 4.42Å; A159-L173 HydrophobicContact CB-CD1 4.38Å; A159-L173 HydrophobicContact CB-CD2 4.3Å; A159-Y177 HydrophobicContact CB-CD2 3.6Å; A159-Y177 HydrophobicContact CB-CE2 3.94Å; A159-Y177 HydrophobicContact CB-CG 4.45Å
160N98.2Very high97.6Very high3 Ų352.5 Ų52.52%0.01626%0.255CS..EExtended strand (participates in β ladder)trans-160.3166.2179.4-165.311.4000110.9I34 G35 Q147 W157 R170I34-N160 WeakPolarHBondContact CA-O 3.42Å; G35-N160 PolarHBondContact N-O 3.39Å; G35-N160 PolarHBondContact O-N 3.09Å; Q147-N160 PolarHBondContact OE1-ND2 3.34Å; W157-N160 HydrophobicContact CB-CB 3.75Å; W157-N160 HydrophobicContact CD2-CB 3.74Å; W157-N160 HydrophobicContact CE3-CB 3.96Å; W157-N160 HydrophobicContact CG-CB 3.61Å; W157-N160 PolarHBondContact NE1-ND2 3.05Å; W157-N160 VanDerWaalsContact NE1-ND2 3.19Å; N160-R170 PolarHBondContact OD1-NE 3.33Å; N160-R170 PolarHBondContact OD1-NH2 3.19Å
161C98.3Very high97.6Very high0 Ų054.7 Ų54.70%027%0.271CS..EExtended strand (participates in β ladder)trans-139.7154.817863.50000111.9A33 I34 I169A33-C161 CarbonylContact O-C 3.57Å; A33-C161 WeakPolarHBondContact O-CA 3.34Å; I34-C161 HydrophobicContact CG1-CB 3.95Å; C161-I169 HydrophobicContact CB-CB 4.34Å; C161-I169 HydrophobicContact CB-CG2 3.72Å
162T98.1Very high97.7Very high4 Ų454.2 Ų54.23%0.02526%0.264CS..EExtended strand (participates in β ladder)trans-135.6161.3171.1-170.10000111V27 V32 A33 A75 S131 I133V27-T162 WeakPolarHBondContact CG1-OG1 3.31Å; V32-T162 WeakPolarHBondContact CA-O 3.17Å; A33-T162 HydrophobicContact CB-CG2 4.04Å; A33-T162 PolarHBondContact N-O 2.65Å; A33-T162 PolarHBondContact O-N 2.62Å; A75-T162 HydrophobicContact CB-CG2 3.71Å; S131-T162 WeakPolarHBondContact CB-OG1 3.22Å; S131-T162 PolarHBondContact OG-OG1 3.01Å; I133-T162 HydrophobicContact CD1-CG2 3.9Å; I133-T162 HydrophobicContact CG1-CG2 3.9Å
163G97.4Very high97.8Very high2 Ų253.9 Ų53.92%0.02126%0.26CS..SBendtrans109.2-151.9-176.800000113.9V27 S31 A75 T166V27-G163 WeakPolarHBondContact O-CA 3.47Å; S31-G163 WeakPolarHBondContact O-CA 3.39Å; A75-G163 VanDerWaalsContact CB-CA 3.42Å; G163-T166 VanDerWaalsContact O-CG2 3.31Å; G163-T166 WeakPolarHBondContact O-CG2 3.33Å
164R96.6Very high97.8Very high81 Ų8158.5 Ų58.531%0.30628%0.278SS..THydrogen-bonded Turntrans-70.5150.3176.367.6-175.5-176.399.4-5.5111.8K28 G30 V32 E47 T166K28-R164 WeakPolarHBondContact O-CA 3.4Å; K28-R164 VanDerWaalsContact O-CB 3.26Å; K28-R164 WeakPolarHBondContact O-CB 3.43Å; K28-R164 PolarHBondContact O-N 3.33Å; G30-R164 PolarHBondContact O-N 2.83Å; G30-R164 VanDerWaalsContact O-N 3.16Å; V32-R164 HydrophobicContact CG2-CG 3.64Å; V32-R164 VanDerWaalsContact CG2-O 3.3Å; V32-R164 WeakPolarHBondContact CG2-O 3.34Å; E47-R164 IonicContact OE1-CZ 3.04Å; E47-R164 IonicContact OE1-NE 3.71Å; E47-R164 PolarHBondContact OE1-NE 3.42Å; E47-R164 IonicContact OE1-NH2 3.8Å; E47-R164 PolarHBondContact OE1-NH2 3.02Å; E47-R164 IonicContact OE2-CZ 3.18Å; E47-R164 IonicContact OE2-NE 3.82Å; E47-R164 PolarHBondContact OE2-NE 2.61Å; E47-R164 IonicContact OE2-NH2 3.45Å; R164-T166 VanDerWaalsContact C-N 3.28Å; R164-T166 PolarHBondContact O-N 3.1Å
165S96.1Very high97.7Very high51 Ų5163.1 Ų63.136%0.35730%0.299SS..THydrogen-bonded Turntrans58.831170.7-51.70000115.4S167 I168 I169S165-S167 VanDerWaalsContact C-N 3.27Å; S165-S167 PolarHBondContact O-N 3.43Å; S165-I168 PolarHBondContact O-N 3.3Å; S165-I169 PolarHBondContact O-N 3.07Å
166T96.4Very high97.7Very high39 Ų3959.9 Ų59.924%0.23929%0.288CS..Hα-helixtrans-60.1-31.6-17846.40000114.2G163 R164 I169 R170G163-T166 VanDerWaalsContact O-CG2 3.31Å; G163-T166 WeakPolarHBondContact O-CG2 3.33Å; R164-T166 VanDerWaalsContact C-N 3.28Å; R164-T166 PolarHBondContact O-N 3.1Å; T166-I169 PolarHBondContact O-N 3.2Å; T166-R170 WeakPolarHBondContact O-CB 3.48Å; T166-R170 PolarHBondContact O-N 3.16Å
167S97Very high97.7Very high90 Ų9058.7 Ų58.763%0.62928%0.28SS*.Hα-helixtrans-62-42.8178.451.70000112.8S165 S171S165-S167 VanDerWaalsContact C-N 3.27Å; S165-S167 PolarHBondContact O-N 3.43Å; S167-S171 PolarHBondContact O-N 2.94Å; S167-S171 VanDerWaalsContact O-N 3.11Å
168I97.7Very high97.6Very high86 Ų8656.9 Ų56.944%0.44128%0.28SS..Hα-helixtrans-64.7-48.4178.5-61174.9000109.6S165 S171 F172 E198S165-I168 PolarHBondContact O-N 3.3Å; I168-S171 PolarHBondContact O-N 3.43Å; I168-F172 PolarHBondContact O-N 2.82Å; I168-F172 VanDerWaalsContact O-N 3.11Å; I168-E198 HydrophobicContact CG2-CB 4.06Å
169I98Very high97.4Very high0 Ų057.2 Ų57.20%029%0.288CS..Hα-helixtrans-67-43-176.8-58.5171.5000111.1V32 I34 C161 S165 T166 F172 L173 A195 V199V32-I169 HydrophobicContact CB-CD1 4.38Å; V32-I169 HydrophobicContact CG1-CD1 3.39Å; V32-I169 HydrophobicContact CG2-CD1 4.08Å; I34-I169 HydrophobicContact CD1-CD1 4.46Å; I34-I169 HydrophobicContact CD1-CG2 3.61Å; I34-I169 HydrophobicContact CG1-CG2 4.27Å; C161-I169 HydrophobicContact CB-CB 4.34Å; C161-I169 HydrophobicContact CB-CG2 3.72Å; S165-I169 PolarHBondContact O-N 3.07Å; T166-I169 PolarHBondContact O-N 3.2Å; I169-F172 WeakPolarHBondContact O-CB 3.19Å; I169-F172 PolarHBondContact O-N 3.11Å; I169-L173 HydrophobicContact CG2-CD1 4.02Å; I169-L173 HydrophobicContact CG2-CG 4.37Å; I169-L173 WeakPolarHBondContact O-CG 3.39Å; I169-L173 PolarHBondContact O-N 3.26Å; I169-A195 HydrophobicContact CG2-CB 4.09Å; I169-V199 HydrophobicContact CD1-CG1 3.98Å; I169-V199 HydrophobicContact CD1-CG2 3.94Å; I169-V199 HydrophobicContact CG1-CG1 3.78Å; I169-V199 HydrophobicContact CG1-CG2 4.37Å
170R97.7Very high97.2Very high78 Ų7863.2 Ų63.229%0.29431%0.313SS..Hα-helixtrans-60.2-46174.8-91.2-173.5-165.2151.97.9111.8N160 T166 F172 L173 E174N160-R170 PolarHBondContact OD1-NE 3.33Å; N160-R170 PolarHBondContact OD1-NH2 3.19Å; T166-R170 WeakPolarHBondContact O-CB 3.48Å; T166-R170 PolarHBondContact O-N 3.16Å; R170-F172 PolarHBondContact O-N 2.9Å; R170-L173 PolarHBondContact O-N 3.11Å; R170-L173 VanDerWaalsContact O-N 3.11Å; R170-E174 WeakPolarHBondContact O-CB 3.45Å; R170-E174 VanDerWaalsContact O-CG 3.29Å; R170-E174 WeakPolarHBondContact O-CG 3.38Å; R170-E174 PolarHBondContact O-N 3.24Å
171S98Very high97Very high47 Ų4765.7 Ų65.733%0.32933%0.327SS..Hα-helixtrans-59.9-35.5178.3-171.40000112.2S167 I168 K175S167-S171 PolarHBondContact O-N 2.94Å; S167-S171 VanDerWaalsContact O-N 3.11Å; I168-S171 PolarHBondContact O-N 3.43Å; S171-K175 WeakPolarHBondContact O-CG 3.3Å; S171-K175 PolarHBondContact O-N 3.15Å
172F98Very high96.9Very high20 Ų2066 Ų669%0.08833%0.328CS..Hα-helixtrans-66.6-49.9172.4175.3-88000112.1I168 I169 R170 E174 K175 K176 L191 R194 A195 E198I168-F172 PolarHBondContact O-N 2.82Å; I168-F172 VanDerWaalsContact O-N 3.11Å; I169-F172 WeakPolarHBondContact O-CB 3.19Å; I169-F172 PolarHBondContact O-N 3.11Å; R170-F172 PolarHBondContact O-N 2.9Å; F172-E174 VanDerWaalsContact C-N 3.34Å; F172-E174 PolarHBondContact O-N 2.78Å; F172-K175 PolarHBondContact O-N 3.21Å; F172-K175 VanDerWaalsContact O-N 3.16Å; F172-K176 HydrophobicContact CD2-CG 4.25Å; F172-K176 HydrophobicContact CE1-CB 4.15Å; F172-K176 HydrophobicContact CE1-CG 4.12Å; F172-K176 HydrophobicContact CE2-CG 3.79Å; F172-K176 HydrophobicContact CZ-CB 4.15Å; F172-K176 HydrophobicContact CZ-CG 3.69Å; F172-K176 PolarHBondContact O-N 3.49Å; F172-L191 HydrophobicContact CE1-CD1 3.96Å; F172-R194 HydrophobicContact CE1-CB 3.92Å; F172-R194 HydrophobicContact CZ-CB 3.58Å; F172-A195 HydrophobicContact CD1-CB 3.7Å; F172-A195 HydrophobicContact CE1-CB 3.86Å; F172-E198 HydrophobicContact CB-CG 3.98Å; F172-E198 HydrophobicContact CD2-CG 3.67Å; F172-E198 WeakPolarHBondContact CD2-OE1 3.49Å; F172-E198 HydrophobicContact CE2-CG 4.34Å; F172-E198 HydrophobicContact CG-CG 3.81Å
173L98.2Very high96.6Very high7 Ų771.4 Ų71.44%0.03735%0.354CS..Hα-helixtrans-60.9-41.6180-72171.8000111.7I34 A159 I169 R170 K175 K176 Y177 L191 A195I34-L173 HydrophobicContact CG2-CD1 4.16Å; A159-L173 HydrophobicContact CB-CD1 4.38Å; A159-L173 HydrophobicContact CB-CD2 4.3Å; I169-L173 HydrophobicContact CG2-CD1 4.02Å; I169-L173 HydrophobicContact CG2-CG 4.37Å; I169-L173 WeakPolarHBondContact O-CG 3.39Å; I169-L173 PolarHBondContact O-N 3.26Å; R170-L173 PolarHBondContact O-N 3.11Å; R170-L173 VanDerWaalsContact O-N 3.11Å; L173-K175 VanDerWaalsContact C-N 3.25Å; L173-K175 PolarHBondContact O-N 3.01Å; L173-K176 PolarHBondContact O-N 3.36Å; L173-Y177 WeakPolarHBondContact O-CB 3.45Å; L173-Y177 PolarHBondContact O-N 3.11Å; L173-L191 HydrophobicContact CD2-CG 4.31Å; L173-A195 HydrophobicContact CD2-CB 3.71Å; L173-A195 HydrophobicContact CG-CB 4.09Å
174E97.8Very high96.4Very high148 Ų14874.3 Ų74.369%0.69237%0.368SS*.Hα-helixtrans-57.9-36.5176.1-75.7168.5-176.300112.5R170 F172R170-E174 WeakPolarHBondContact O-CB 3.45Å; R170-E174 VanDerWaalsContact O-CG 3.29Å; R170-E174 WeakPolarHBondContact O-CG 3.38Å; R170-E174 PolarHBondContact O-N 3.24Å; F172-E174 VanDerWaalsContact C-N 3.34Å; F172-E174 PolarHBondContact O-N 2.78Å
175K97.6Very high96.2Very high164 Ų16472.4 Ų72.471%0.71337%0.368SS*.Hα-helixtrans-81.6-32.5179.8-69.2171.3-174.7171.70113.5S171 F172 L173S171-K175 WeakPolarHBondContact O-CG 3.3Å; S171-K175 PolarHBondContact O-N 3.15Å; F172-K175 PolarHBondContact O-N 3.21Å; F172-K175 VanDerWaalsContact O-N 3.16Å; L173-K175 VanDerWaalsContact C-N 3.25Å; L173-K175 PolarHBondContact O-N 3.01Å
176K97.3Very high96.1Very high74 Ų7475.6 Ų75.632%0.32237%0.372SS..Hα-helixtrans-106.2-16-169.1-64.5-64.3-171.2174.40113.9F172 L173 S178 N181 L191F172-K176 HydrophobicContact CD2-CG 4.25Å; F172-K176 HydrophobicContact CE1-CB 4.15Å; F172-K176 HydrophobicContact CE1-CG 4.12Å; F172-K176 HydrophobicContact CE2-CG 3.79Å; F172-K176 HydrophobicContact CZ-CB 4.15Å; F172-K176 HydrophobicContact CZ-CG 3.69Å; F172-K176 PolarHBondContact O-N 3.49Å; L173-K176 PolarHBondContact O-N 3.36Å; K176-S178 PolarHBondContact O-N 3.1Å; K176-N181 PolarHBondContact O-ND2 3.4Å; K176-L191 HydrophobicContact CB-CD1 3.72Å
177Y98Very high96.1Very high64 Ų6475 Ų7525%0.25137%0.37SS..  trans-69.7116.4175.8-174-85.9000110.4V36 K37 R158 A159 L173 C182 L191V36-Y177 HydrophobicContact CG1-CD2 4.46Å; V36-Y177 HydrophobicContact CG1-CE2 4.24Å; K37-Y177 WeakPolarHBondContact O-CE2 3.34Å; K37-Y177 PolarHBondContact O-OH 3.43Å; R158-Y177 HydrophobicContact CB-CD1 4.5Å; R158-Y177 HydrophobicContact CB-CE1 3.82Å; R158-Y177 HydrophobicContact CB-CE2 4.21Å; R158-Y177 HydrophobicContact CG-CE1 4.4Å; R158-Y177 WeakPolarHBondContact O-CE2 3.45Å; A159-Y177 HydrophobicContact CB-CD2 3.6Å; A159-Y177 HydrophobicContact CB-CE2 3.94Å; A159-Y177 HydrophobicContact CB-CG 4.45Å; L173-Y177 WeakPolarHBondContact O-CB 3.45Å; L173-Y177 PolarHBondContact O-N 3.11Å; Y177-C182 VanDerWaalsContact CD2-SG 3.52Å; Y177-C182 HydrophobicContact CE2-CB 4.32Å; Y177-C182 WeakPolarHBondContact CE2-SG 3.21Å; Y177-L191 HydrophobicContact CD2-CD2 4.05Å
178S97.3Very high96.1Very high41 Ų4170.8 Ų70.829%0.28734%0.34SS..  trans-147.5166.3177.767.10000109.8K176 E180 N181 C182K176-S178 PolarHBondContact O-N 3.1Å; S178-E180 VanDerWaalsContact C-N 3.26Å; S178-E180 PolarHBondContact O-N 2.96Å; S178-N181 PolarHBondContact O-N 3.4Å; S178-N181 PolarHBondContact OG-N 3.44Å; S178-N181 VanDerWaalsContact OG-N 3.16Å; S178-N181 PolarHBondContact OG-ND2 3.29Å; S178-C182 VanDerWaalsContact O-CB 3.3Å; S178-C182 WeakPolarHBondContact O-CB 3.43Å; S178-C182 PolarHBondContact O-N 2.91Å; S178-C182 VanDerWaalsContact O-N 3.13Å
179E93.7Very high96.1Very high183 Ų18366.7 Ų66.786%0.85532%0.319SS*.THydrogen-bonded Turntrans-60-38.5174.7-66.5-173.9176.800111.9C182 Q183E179-C182 CarbonylContact O-C 3.57Å; E179-C182 PolarHBondContact O-N 3.49Å; E179-Q183 WeakPolarHBondContact O-CA 3.26Å; E179-Q183 PolarHBondContact O-N 2.82Å
180E94.2Very high96Very high146 Ų14668.6 Ų68.668%0.68233%0.327SS*.G310 helixtrans-61.1-49175.9-176.2-177.2-177.800111.8S178 C182 Q183S178-E180 VanDerWaalsContact C-N 3.26Å; S178-E180 PolarHBondContact O-N 2.96Å; E180-C182 PolarHBondContact O-N 3.36Å; E180-Q183 WeakPolarHBondContact O-CG 3.25Å
181N94.8Very high96Very high55 Ų5565.1 Ų65.129%0.29431%0.314SS..G310 helixtrans-74.7-5.2-179.6-70.3-31.4000113.5K176 S178 S187 L191K176-N181 PolarHBondContact O-ND2 3.4Å; S178-N181 PolarHBondContact O-N 3.4Å; S178-N181 PolarHBondContact OG-N 3.44Å; S178-N181 VanDerWaalsContact OG-N 3.16Å; S178-N181 PolarHBondContact OG-ND2 3.29Å; N181-S187 CarbonylContact O-C 3.57Å; N181-S187 VanDerWaalsContact O-C 3.26Å; N181-S187 WeakPolarHBondContact O-CB 3.31Å; N181-L191 HydrophobicContact CB-CD2 4.47Å
182C95Very high96Very high5 Ų562.9 Ų62.93%0.03430%0.299CS..G310 helixtrans-131.122.4-177.1-65.90000113.2G38 K39 Y177 S178 E179 E180 C188G38-C182 VanDerWaalsContact CA-O 3.31Å; G38-C182 WeakPolarHBondContact CA-O 3.27Å; K39-C182 PolarHBondContact N-O 2.79Å; Y177-C182 VanDerWaalsContact CD2-SG 3.52Å; Y177-C182 HydrophobicContact CE2-CB 4.32Å; Y177-C182 WeakPolarHBondContact CE2-SG 3.21Å; S178-C182 VanDerWaalsContact O-CB 3.3Å; S178-C182 WeakPolarHBondContact O-CB 3.43Å; S178-C182 PolarHBondContact O-N 2.91Å; S178-C182 VanDerWaalsContact O-N 3.13Å; E179-C182 CarbonylContact O-C 3.57Å; E179-C182 PolarHBondContact O-N 3.49Å; E180-C182 PolarHBondContact O-N 3.36Å; C182-C188 VanDerWaalsContact CA-SG 3.54Å
183Q93Very high96Very high119 Ų11962 Ų6256%0.55630%0.295SS*.SBendtrans-68.2-34.9-175.767-176.6-3.300113.4E179 E180E179-Q183 WeakPolarHBondContact O-CA 3.26Å; E179-Q183 PolarHBondContact O-N 2.82Å; E180-Q183 WeakPolarHBondContact O-CG 3.25Å
184D92.4Very high95.9Very high62 Ų6263.2 Ų63.233%0.33230%0.299SS..SBendtrans-143.4171.4-175.866.758.2000111.1R186 S187 C188D184-R186 VanDerWaalsContact C-N 3.3Å; D184-R186 PolarHBondContact O-N 2.85Å; D184-R186 WeakPolarHBondContact OD1-CA 3.4Å; D184-R186 WeakPolarHBondContact OD1-CB 2.99Å; D184-R186 PolarHBondContact OD1-N 3.07Å; D184-S187 PolarHBondContact O-N 2.67Å; D184-S187 PolarHBondContact OD1-N 3.21Å; D184-S187 PolarHBondContact OD1-OG 2.87Å; D184-C188 PolarHBondContact O-N 2.85Å; D184-C188 PolarHBondContact O-SG 3.16Å; D184-C188 VanDerWaalsContact O-SG 3.37Å
185S93Very high95.9Very high42 Ų4256.2 Ų56.229%0.29427%0.266SS..Hα-helixtrans-63.9-31.6-176.455.10000113.7C41 L189C41-S185 VanDerWaalsContact SG-CA 3.53Å; S185-L189 VanDerWaalsContact O-CB 3.29Å; S185-L189 WeakPolarHBondContact O-CB 3.49Å; S185-L189 PolarHBondContact O-N 2.93Å
186R94Very high95.9Very high118 Ų11848.4 Ų48.445%0.44523%0.232SC..Hα-helixtrans-73.3-43.7178.2-178.5179.9174.61412.1110.8D184 L189 K190 V239 E242D184-R186 VanDerWaalsContact C-N 3.3Å; D184-R186 PolarHBondContact O-N 2.85Å; D184-R186 WeakPolarHBondContact OD1-CA 3.4Å; D184-R186 WeakPolarHBondContact OD1-CB 2.99Å; D184-R186 PolarHBondContact OD1-N 3.07Å; R186-L189 PolarHBondContact O-N 2.81Å; R186-K190 WeakPolarHBondContact O-CB 3.48Å; R186-K190 PolarHBondContact O-N 2.8Å; R186-V239 HydrophobicContact CG-CG2 4.44Å; R186-E242 IonicContact NH2-OE2 3.21Å; R186-E242 PolarHBondContact NH2-OE2 3.16Å
187S95.8Very high95.8Very high27 Ų2746.5 Ų46.519%0.18923%0.225CC..Hα-helixtrans-61.5-44.1174.2-65.60000111.6N181 D184 L189 K190 L191N181-S187 CarbonylContact O-C 3.57Å; N181-S187 VanDerWaalsContact O-C 3.26Å; N181-S187 WeakPolarHBondContact O-CB 3.31Å; D184-S187 PolarHBondContact O-N 2.67Å; D184-S187 PolarHBondContact OD1-N 3.21Å; D184-S187 PolarHBondContact OD1-OG 2.87Å; S187-L189 PolarHBondContact O-N 2.86Å; S187-K190 PolarHBondContact O-N 2.93Å; S187-L191 PolarHBondContact O-N 3.42Å
188C97Very high95.7Very high0 Ų045.9 Ų45.90%022%0.224CC..Hα-helixtrans-61.7-42.3174.1-710000112.6V36 G38 V43 C182 D184 L191 G192V36-C188 HydrophobicContact CB-CB 4.46Å; V36-C188 HydrophobicContact CG1-CB 3.99Å; G38-C188 WeakPolarHBondContact CA-SG 3.32Å; V43-C188 HydrophobicContact CB-CB 4.28Å; V43-C188 HydrophobicContact CG2-CB 3.59Å; C182-C188 VanDerWaalsContact CA-SG 3.54Å; D184-C188 PolarHBondContact O-N 2.85Å; D184-C188 PolarHBondContact O-SG 3.16Å; D184-C188 VanDerWaalsContact O-SG 3.37Å; C188-L191 PolarHBondContact O-N 2.86Å; C188-G192 PolarHBondContact O-N 3.47Å
189L96.6Very high95.6Very high0 Ų045.3 Ų45.30%022%0.219CC..Hα-helixtrans-61.2-47.4174.9175.262.2000111.2V43 S185 R186 S187 L191 G192 V193 A209 I211 V231 L235 V239V43-L189 HydrophobicContact CG1-CB 4.21Å; V43-L189 HydrophobicContact CG1-CD1 3.97Å; S185-L189 VanDerWaalsContact O-CB 3.29Å; S185-L189 WeakPolarHBondContact O-CB 3.49Å; S185-L189 PolarHBondContact O-N 2.93Å; R186-L189 PolarHBondContact O-N 2.81Å; S187-L189 PolarHBondContact O-N 2.86Å; L189-L191 VanDerWaalsContact C-N 3.35Å; L189-L191 PolarHBondContact O-N 3.45Å; L189-G192 PolarHBondContact O-N 3.16Å; L189-G192 VanDerWaalsContact O-N 3.16Å; L189-V193 HydrophobicContact CD1-CG2 4.18Å; L189-V193 WeakPolarHBondContact O-CG2 3.48Å; L189-V193 PolarHBondContact O-N 3.05Å; L189-A209 HydrophobicContact CD1-CB 3.56Å; L189-I211 HydrophobicContact CD2-CD1 4.4Å; L189-V231 HydrophobicContact CD1-CG2 4.38Å; L189-V231 HydrophobicContact CD2-CG1 3.91Å; L189-V231 HydrophobicContact CD2-CG2 4.14Å; L189-L235 HydrophobicContact CD2-CD2 4.37Å; L189-L235 HydrophobicContact CD2-CG 4.18Å; L189-V239 HydrophobicContact CD2-CG2 3.98Å; L189-V239 HydrophobicContact CG-CG1 4.31Å; L189-V239 HydrophobicContact CG-CG2 4.37Å
190K97Very high95.6Very high40 Ų4037.8 Ų37.817%0.17418%0.184CC..Hα-helixtrans-57.7-46.6176.2-175-180175.1-176.40111.3R186 S187 G192 V193 R194 V239 E242 V243 E246R186-K190 WeakPolarHBondContact O-CB 3.48Å; R186-K190 PolarHBondContact O-N 2.8Å; S187-K190 PolarHBondContact O-N 2.93Å; K190-G192 VanDerWaalsContact C-N 3.33Å; K190-G192 PolarHBondContact O-N 3.08Å; K190-V193 PolarHBondContact O-N 3.38Å; K190-R194 VanDerWaalsContact O-CG 3.31Å; K190-R194 WeakPolarHBondContact O-CG 3.32Å; K190-R194 PolarHBondContact O-N 2.92Å; K190-V239 HydrophobicContact CB-CG1 3.97Å; K190-V239 HydrophobicContact CG-CG1 4.32Å; K190-E242 VanDerWaalsContact CE-OE1 3.26Å; K190-E242 WeakPolarHBondContact CE-OE1 3.44Å; K190-E242 IonicContact NZ-OE1 3.44Å; K190-E242 PolarHBondContact NZ-OE1 3.45Å; K190-V243 HydrophobicContact CG-CG2 3.87Å; K190-E246 WeakPolarHBondContact CE-OE1 3.46Å; K190-E246 WeakPolarHBondContact CE-OE2 3.18Å; K190-E246 IonicContact NZ-OE1 2.65Å; K190-E246 PolarHBondContact NZ-OE1 3.31Å; K190-E246 IonicContact NZ-OE2 3.52Å
191L97.9Very high95.5Very high5 Ų537.1 Ų37.13%0.02618%0.181CC..Hα-helixtrans-59.7-42.4176-177.761.4000112V36 F172 L173 K176 Y177 N181 S187 C188 L189 R194 A195V36-L191 HydrophobicContact CG1-CD2 4.01Å; F172-L191 HydrophobicContact CE1-CD1 3.96Å; L173-L191 HydrophobicContact CD2-CG 4.31Å; K176-L191 HydrophobicContact CB-CD1 3.72Å; Y177-L191 HydrophobicContact CD2-CD2 4.05Å; N181-L191 HydrophobicContact CB-CD2 4.47Å; S187-L191 PolarHBondContact O-N 3.42Å; C188-L191 PolarHBondContact O-N 2.86Å; L189-L191 VanDerWaalsContact C-N 3.35Å; L189-L191 PolarHBondContact O-N 3.45Å; L191-R194 PolarHBondContact O-N 3.17Å; L191-A195 WeakPolarHBondContact O-CB 3.28Å; L191-A195 PolarHBondContact O-N 2.88Å
192G97.6Very high95.3Very high1 Ų134.6 Ų34.61%0.0117%0.167CC..Hα-helixtrans-61.5-44.3175.300000113.2C188 L189 K190 A195 L196C188-G192 PolarHBondContact O-N 3.47Å; L189-G192 PolarHBondContact O-N 3.16Å; L189-G192 VanDerWaalsContact O-N 3.16Å; K190-G192 VanDerWaalsContact C-N 3.33Å; K190-G192 PolarHBondContact O-N 3.08Å; G192-A195 PolarHBondContact O-N 2.78Å; G192-L196 PolarHBondContact O-N 3.35Å
193V97.1Very high95.2Very high0 Ų036.4 Ų36.40%018%0.18CC..Hα-helixtrans-68-39.2176.7178.70000111.4L189 K190 A195 L196 H197 P202 V207 L236 V239 V240 V243L189-V193 HydrophobicContact CD1-CG2 4.18Å; L189-V193 WeakPolarHBondContact O-CG2 3.48Å; L189-V193 PolarHBondContact O-N 3.05Å; K190-V193 PolarHBondContact O-N 3.38Å; V193-A195 VanDerWaalsContact C-N 3.32Å; V193-A195 PolarHBondContact O-N 2.68Å; V193-L196 PolarHBondContact O-N 3Å; V193-H197 PolarHBondContact O-N 3Å; V193-P202 HydrophobicContact CG1-CB 3.98Å; V193-P202 HydrophobicContact CG1-CG 4.29Å; V193-V207 HydrophobicContact CG2-CG1 4.48Å; V193-L236 HydrophobicContact CG2-CD1 4.33Å; V193-V239 HydrophobicContact CB-CG1 4.2Å; V193-V239 HydrophobicContact CG2-CG1 4.05Å; V193-V240 HydrophobicContact CG1-CG2 3.94Å; V193-V243 HydrophobicContact CB-CG2 4.2Å; V193-V243 HydrophobicContact CG1-CB 4.23Å; V193-V243 HydrophobicContact CG1-CG1 4.2Å; V193-V243 HydrophobicContact CG1-CG2 4.03Å
194R97.3Very high94.8Very high34 Ų3432.3 Ų32.313%0.12817%0.166CC..Hα-helixtrans-60.6-42.6173-70.6-177.765159.8-0.7111.8F172 K190 L191 L196 H197 V243 E246 E250F172-R194 HydrophobicContact CE1-CB 3.92Å; F172-R194 HydrophobicContact CZ-CB 3.58Å; K190-R194 VanDerWaalsContact O-CG 3.31Å; K190-R194 WeakPolarHBondContact O-CG 3.32Å; K190-R194 PolarHBondContact O-N 2.92Å; L191-R194 PolarHBondContact O-N 3.17Å; R194-L196 VanDerWaalsContact C-N 3.33Å; R194-L196 PolarHBondContact O-N 3.24Å; R194-H197 VanDerWaalsContact O-CB 3.31Å; R194-H197 WeakPolarHBondContact O-CB 3.41Å; R194-H197 PolarHBondContact O-N 3.12Å; R194-H197 VanDerWaalsContact O-N 3.09Å; R194-V243 HydrophobicContact CB-CG1 4.41Å; R194-V243 HydrophobicContact CG-CB 4.22Å; R194-V243 HydrophobicContact CG-CG1 3.8Å; R194-V243 HydrophobicContact CG-CG2 3.52Å; R194-E246 IonicContact CZ-OE2 3.81Å; R194-E246 IonicContact NE-OE2 3.55Å; R194-E246 IonicContact NH1-OE2 3.88Å; R194-E246 PolarHBondContact NH1-OE2 2.68Å; R194-E250 IonicContact CZ-OE1 3.15Å; R194-E250 IonicContact NH2-OE1 3.22Å; R194-E250 PolarHBondContact NH2-OE1 3.09Å; R194-E250 IonicContact NH2-OE2 3.57Å
195A97.8Very high94.5Very high0 Ų036.4 Ų36.40%018%0.183CC..Hα-helixtrans-65.6-35.9177.700000112.1I34 I169 F172 L173 L191 G192 V193 H197I34-A195 HydrophobicContact CD1-CB 3.56Å; I34-A195 HydrophobicContact CG2-CB 4.5Å; I169-A195 HydrophobicContact CG2-CB 4.09Å; F172-A195 HydrophobicContact CD1-CB 3.7Å; F172-A195 HydrophobicContact CE1-CB 3.86Å; L173-A195 HydrophobicContact CD2-CB 3.71Å; L173-A195 HydrophobicContact CG-CB 4.09Å; L191-A195 WeakPolarHBondContact O-CB 3.28Å; L191-A195 PolarHBondContact O-N 2.88Å; G192-A195 PolarHBondContact O-N 2.78Å; V193-A195 VanDerWaalsContact C-N 3.32Å; V193-A195 PolarHBondContact O-N 2.68Å; A195-H197 VanDerWaalsContact C-N 3.33Å
196L96.3Very high94.3Very high0 Ų035.1 Ų35.10%018%0.175CC..Hα-helixtrans-65.3-35.6169.8-77.4173.4000112.2V32 I34 A45 E47 G192 V193 R194 E198 V199 I200 V207V32-L196 HydrophobicContact CB-CD2 4.02Å; V32-L196 HydrophobicContact CG1-CD2 3.61Å; I34-L196 HydrophobicContact CD1-CB 4.41Å; I34-L196 HydrophobicContact CD1-CD2 3.8Å; I34-L196 HydrophobicContact CD1-CG 3.7Å; I34-L196 HydrophobicContact CG1-CD2 4.09Å; I34-L196 HydrophobicContact CG1-CG 4.31Å; A45-L196 HydrophobicContact CB-CD1 3.9Å; E47-L196 HydrophobicContact CB-CD2 4.4Å; G192-L196 PolarHBondContact O-N 3.35Å; V193-L196 PolarHBondContact O-N 3Å; R194-L196 VanDerWaalsContact C-N 3.33Å; R194-L196 PolarHBondContact O-N 3.24Å; L196-E198 PolarHBondContact O-N 3.28Å; L196-E198 VanDerWaalsContact O-N 3.16Å; L196-V199 WeakPolarHBondContact O-CG2 3.29Å; L196-V199 PolarHBondContact O-N 3.24Å; L196-I200 HydrophobicContact CB-CD1 4.39Å; L196-I200 HydrophobicContact CB-CG1 4.29Å; L196-I200 VanDerWaalsContact O-CG1 3.26Å; L196-I200 WeakPolarHBondContact O-CG1 3.15Å; L196-I200 PolarHBondContact O-N 3.17Å; L196-I200 VanDerWaalsContact O-N 3.08Å; L196-V207 HydrophobicContact CD1-CG1 3.88Å; L196-V207 HydrophobicContact CD1-CG2 4.14Å
197H96.3Very high94.2Very high34 Ų3429.7 Ų29.716%0.15716%0.155CC..Hα-helixtrans-61.5-23.4-179.2-163.7-176.1000113.1V193 R194 A195 V199 I200 H201 P202 V243V193-H197 PolarHBondContact O-N 3Å; R194-H197 VanDerWaalsContact O-CB 3.31Å; R194-H197 WeakPolarHBondContact O-CB 3.41Å; R194-H197 PolarHBondContact O-N 3.12Å; R194-H197 VanDerWaalsContact O-N 3.09Å; A195-H197 VanDerWaalsContact C-N 3.33Å; H197-V199 PolarHBondContact O-N 3.18Å; H197-V199 VanDerWaalsContact O-N 3.16Å; H197-I200 CarbonylContact C-O 3.6Å; H197-I200 VanDerWaalsContact CA-O 3.27Å; H197-I200 WeakPolarHBondContact CA-O 3.31Å; H197-I200 PolarHBondContact CD2-O 2.67Å; H197-I200 VanDerWaalsContact O-O 3.13Å; H197-H201 AromaticContact NE2-ND1 3.89Å; H197-P202 HydrophobicContact CB-CG 4.06Å; H197-P202 WeakPolarHBondContact CD2-CD 3.25Å; H197-V243 HydrophobicContact CB-CG1 4.14Å
198E95.6Very high94Very high51 Ų5129.7 Ų29.724%0.23815%0.152CC..THydrogen-bonded Turntrans-65.8-14.7175.6-64.3-61.5147.300113.3I168 F172 L196 R247I168-E198 HydrophobicContact CG2-CB 4.06Å; F172-E198 HydrophobicContact CB-CG 3.98Å; F172-E198 HydrophobicContact CD2-CG 3.67Å; F172-E198 WeakPolarHBondContact CD2-OE1 3.49Å; F172-E198 HydrophobicContact CE2-CG 4.34Å; F172-E198 HydrophobicContact CG-CG 3.81Å; L196-E198 PolarHBondContact O-N 3.28Å; L196-E198 VanDerWaalsContact O-N 3.16Å; E198-R247 IonicContact OE1-CZ 2.68Å; E198-R247 IonicContact OE1-NH1 2.66Å; E198-R247 PolarHBondContact OE1-NH1 2.92Å; E198-R247 IonicContact OE1-NH2 3.51Å; E198-R247 PolarHBondContact OE1-NH2 3.05Å; E198-R247 IonicContact OE2-CZ 2.72Å; E198-R247 IonicContact OE2-NH1 3.48Å; E198-R247 IonicContact OE2-NH2 3.55Å; E198-R247 PolarHBondContact OE2-NH2 2.94Å; E198-R247 VanDerWaalsContact OE2-NH2 3.07Å
199V94.5Very high93.9Very high29 Ų2929.9 Ų29.918%0.17615%0.153CC..THydrogen-bonded Turntrans-131.9-15.3-175.2-630000115.1V32 I169 L196 H197V32-V199 HydrophobicContact CG2-CG2 4.14Å; I169-V199 HydrophobicContact CD1-CG1 3.98Å; I169-V199 HydrophobicContact CD1-CG2 3.94Å; I169-V199 HydrophobicContact CG1-CG1 3.78Å; I169-V199 HydrophobicContact CG1-CG2 4.37Å; L196-V199 WeakPolarHBondContact O-CG2 3.29Å; L196-V199 PolarHBondContact O-N 3.24Å; H197-V199 PolarHBondContact O-N 3.18Å; H197-V199 VanDerWaalsContact O-N 3.16Å
200I93.9Very high93.9Very high26 Ų2630 Ų3013%0.13315%0.154CC..SBendtrans-140.2159.5175.559.8165000110E47 L196 H197 P202 V207E47-I200 HydrophobicContact CB-CD1 4.34Å; E47-I200 HydrophobicContact CG-CD1 4.21Å; E47-I200 HydrophobicContact CG-CG2 4.28Å; L196-I200 HydrophobicContact CB-CD1 4.39Å; L196-I200 HydrophobicContact CB-CG1 4.29Å; L196-I200 VanDerWaalsContact O-CG1 3.26Å; L196-I200 WeakPolarHBondContact O-CG1 3.15Å; L196-I200 PolarHBondContact O-N 3.17Å; L196-I200 VanDerWaalsContact O-N 3.08Å; H197-I200 CarbonylContact C-O 3.6Å; H197-I200 VanDerWaalsContact CA-O 3.27Å; H197-I200 WeakPolarHBondContact CA-O 3.31Å; H197-I200 PolarHBondContact CD2-O 2.67Å; H197-I200 VanDerWaalsContact O-O 3.13Å; I200-P202 VanDerWaalsContact O-CD 3.31Å; I200-P202 WeakPolarHBondContact O-CD 3.4Å; I200-V207 HydrophobicContact CD1-CG2 4.41Å
201H93.1Very high93.8Very high132 Ų13228.3 Ų28.361%0.61115%0.147SC*.  trans-83.3110.8163.2-171.765.9000108.8H197 S206H197-H201 AromaticContact NE2-ND1 3.89Å; H201-S206 PolarHBondContact O-OG 2.97Å
202P91.3Very high93.6Very high1 Ų128 Ų281%0.00615%0.146CC..  trans-71.9137.8-17530.1-34.5000110.8V193 H197 I200 V207 V240 I244V193-P202 HydrophobicContact CG1-CB 3.98Å; V193-P202 HydrophobicContact CG1-CG 4.29Å; H197-P202 HydrophobicContact CB-CG 4.06Å; H197-P202 WeakPolarHBondContact CD2-CD 3.25Å; I200-P202 VanDerWaalsContact O-CD 3.31Å; I200-P202 WeakPolarHBondContact O-CD 3.4Å; P202-V207 HydrophobicContact CB-CG2 3.91Å; P202-V240 HydrophobicContact CB-CG1 4.31Å; P202-V240 HydrophobicContact CB-CG2 4.38Å; P202-V240 HydrophobicContact CG-CG1 4.44Å; P202-V240 VanDerWaalsContact O-CG1 3.3Å; P202-V240 WeakPolarHBondContact O-CG1 3.35Å; P202-I244 HydrophobicContact CG-CG1 4.42Å
203S90.9Very high93.3Very high44 Ų4429 Ų2931%0.30815%0.152SC..  trans-141.5163.9169.677.10000108.1Q205 S206 V207S203-Q205 PolarHBondContact O-N 3.36Å; S203-Q205 VanDerWaalsContact O-N 3.09Å; S203-Q205 PolarHBondContact OG-N 3.5Å; S203-S206 PolarHBondContact N-OG 3.11Å; S203-S206 PolarHBondContact O-N 3.29Å; S203-S206 PolarHBondContact O-OG 3.05Å; S203-S206 PolarHBondContact OG-N 3.39Å; S203-S206 VanDerWaalsContact OG-N 3.13Å; S203-S206 PolarHBondContact OG-OG 2.87Å; S203-V207 PolarHBondContact O-N 3.36Å; S203-V207 VanDerWaalsContact O-N 3.11Å
204A85.4Confident92.8Very high32 Ų3230.7 Ų30.726%0.26416%0.159SC..THydrogen-bonded Turntrans-60.1-21.1175.600000113.2E237A204-E237 HydrophobicContact CB-CG 3.56Å
205Q85.4Confident91.9Very high148 Ų14831.3 Ų31.369%0.69217%0.165SC*.THydrogen-bonded Turntrans-89.3-24.4176.2-66.1178.1-1500113.1S203S203-Q205 PolarHBondContact O-N 3.36Å; S203-Q205 VanDerWaalsContact O-N 3.09Å; S203-Q205 PolarHBondContact OG-N 3.5Å
206S89.3Confident90.7Very high16 Ų1640.3 Ų40.311%0.11220%0.199CC..THydrogen-bonded Turntrans-96.8-4.6-178.573.10000113.8K48 H201 S203K48-S206 PolarHBondContact N-O 2.85Å; K48-S206 WeakPolarHBondContact O-CA 3.35Å; H201-S206 PolarHBondContact O-OG 2.97Å; S203-S206 PolarHBondContact N-OG 3.11Å; S203-S206 PolarHBondContact O-N 3.29Å; S203-S206 PolarHBondContact O-OG 3.05Å; S203-S206 PolarHBondContact OG-N 3.39Å; S203-S206 VanDerWaalsContact OG-N 3.13Å; S203-S206 PolarHBondContact OG-OG 2.87Å
207V92.3Very high89.3Confident4 Ų444.9 Ų44.92%0.02423%0.231CC..EExtended strand (participates in β ladder)trans-124.5134.6179.3-177.30000109.9V46 V193 L196 I200 P202 S203 L236V46-V207 WeakPolarHBondContact O-CA 3.29Å; V193-V207 HydrophobicContact CG2-CG1 4.48Å; L196-V207 HydrophobicContact CD1-CG1 3.88Å; L196-V207 HydrophobicContact CD1-CG2 4.14Å; I200-V207 HydrophobicContact CD1-CG2 4.41Å; P202-V207 HydrophobicContact CB-CG2 3.91Å; S203-V207 PolarHBondContact O-N 3.36Å; S203-V207 VanDerWaalsContact O-N 3.11Å; V207-L236 HydrophobicContact CB-CD1 4.36Å; V207-L236 HydrophobicContact CB-CD2 4.33Å; V207-L236 HydrophobicContact CG1-CD1 3.95Å; V207-L236 HydrophobicContact CG1-CD2 4.49Å; V207-L236 WeakPolarHBondContact O-CD2 3.19Å
208E92.5Very high87.6Confident26 Ų2648.7 Ų48.712%0.12124%0.244CC..EExtended strand (participates in β ladder)trans-115.9136.8163.5170.4-178.8-126.500107.3V46 K62 I63 L230V46-E208 HydrophobicContact CG2-CB 3.66Å; V46-E208 HydrophobicContact CG2-CG 4.13Å; V46-E208 WeakPolarHBondContact CG2-O 3.26Å; V46-E208 PolarHBondContact N-O 2.84Å; V46-E208 PolarHBondContact O-N 2.99Å; K62-E208 PolarHBondContact N-OE2 2.98Å; I63-E208 HydrophobicContact CD1-CG 3.97Å; I63-E208 HydrophobicContact CG1-CG 4.21Å; I63-E208 PolarHBondContact N-OE2 2.62Å; E208-L230 HydrophobicContact CG-CD2 4.11Å
209A94.8Very high85.2Confident4 Ų452.4 Ų52.43%0.03327%0.272CS..EExtended strand (participates in β ladder)trans-138.3148.1-18000000111.8L44 L189 V231 L236L44-A209 CarbonylContact O-C 3.56Å; L44-A209 WeakPolarHBondContact O-CA 3.13Å; L189-A209 HydrophobicContact CD1-CB 3.56Å; A209-V231 HydrophobicContact CB-CB 4.16Å; A209-V231 HydrophobicContact CB-CG2 3.77Å; A209-V231 PolarHBondContact O-N 2.69Å; A209-L236 HydrophobicContact CB-CD1 4.41Å
210C95.4Very high83.1Confident4 Ų454.6 Ų54.63%0.02729%0.286CS..EExtended strand (participates in β ladder)trans-139.5136.1176.6-172.70000109.7V43 L44 I63 I71 E229 L230V43-C210 WeakPolarHBondContact CA-O 3.49Å; L44-C210 PolarHBondContact N-O 3.3Å; L44-C210 PolarHBondContact O-N 2.99Å; I63-C210 HydrophobicContact CD1-CB 3.67Å; I63-C210 HydrophobicContact CG2-CB 3.74Å; I71-C210 HydrophobicContact CD1-CB 3.88Å; C210-E229 WeakPolarHBondContact CA-O 3.45Å; C210-E229 PolarHBondContact SG-O 3.34Å; C210-L230 HydrophobicContact CB-CD2 4.34Å
211I95.2Very high81.3Confident3 Ų361.7 Ų61.72%0.01532%0.316CS..EExtended strand (participates in β ladder)trans-110.5131.1178.9-60.5171.5000107.3V43 L189 S228 E229 V231V43-I211 HydrophobicContact CG1-CG1 4.3Å; V43-I211 HydrophobicContact CG2-CG1 3.99Å; V43-I211 HydrophobicContact CG2-CG2 4.47Å; L189-I211 HydrophobicContact CD2-CD1 4.4Å; I211-S228 WeakPolarHBondContact O-CA 3.48Å; I211-E229 PolarHBondContact N-O 3.26Å; I211-E229 PolarHBondContact O-N 3.29Å; I211-V231 HydrophobicContact CD1-CG2 3.75Å; I211-V231 HydrophobicContact CG1-CG2 3.74Å
212V94.5Very high79.4Confident0 Ų058.6 Ų58.60%031%0.306CS..EExtended strand (participates in β ladder)trans-112.2117.7162.5-169.40000108C41 V42 I71 V137 I226 I227C41-V212 CarbonylContact C-O 3.59Å; C41-V212 WeakPolarHBondContact CA-O 3.22Å; C41-V212 WeakPolarHBondContact CB-O 3.45Å; V42-V212 HydrophobicContact CG1-CB 3.91Å; V42-V212 HydrophobicContact CG1-CG2 4.44Å; V42-V212 PolarHBondContact N-O 3.4Å; V42-V212 PolarHBondContact O-N 3.26Å; I71-V212 HydrophobicContact CB-CG2 4.47Å; I71-V212 HydrophobicContact CD1-CG2 3.57Å; I71-V212 HydrophobicContact CG1-CG2 3.71Å; I71-V212 HydrophobicContact CG2-CG2 3.99Å; V137-V212 HydrophobicContact CB-CG1 4.2Å; V137-V212 HydrophobicContact CG2-CB 4.28Å; V137-V212 HydrophobicContact CG2-CG1 3.83Å; V212-I226 HydrophobicContact CG1-CG2 3.71Å; V212-I227 CarbonylContact C-O 3.6Å; V212-I227 VanDerWaalsContact CA-O 3.25Å; V212-I227 WeakPolarHBondContact CA-O 3.37Å
213S91.1Very high77.8Confident22 Ų2260.4 Ų60.415%0.15432%0.316CS..EExtended strand (participates in β ladder)trans-128.2155.5-178.461.20000111.5I226 I227S213-I226 VanDerWaalsContact O-CA 3.31Å; S213-I226 WeakPolarHBondContact O-CA 3.41Å; S213-I227 PolarHBondContact N-O 2.87Å; S213-I227 PolarHBondContact O-N 3.43Å
214Y85.6Confident76.1Confident34 Ų3462.2 Ų62.213%0.13332%0.322CS..EExtended strand (participates in β ladder)trans-110.2111.9172.2-176.4-103.2000110.4N40 V137 A139 G141 R216 V222 L225 I226N40-Y214 PolarHBondContact O-N 3Å; V137-Y214 HydrophobicContact CG1-CG 4.46Å; A139-Y214 WeakPolarHBondContact O-CE2 3.08Å; A139-Y214 PolarHBondContact O-OH 3.24Å; G141-Y214 VanDerWaalsContact CA-CG 3.44Å; Y214-R216 HydrophobicContact CD1-CG 3.81Å; Y214-R216 HydrophobicContact CE1-CG 3.38Å; Y214-V222 HydrophobicContact CE2-CG1 4.18Å; Y214-L225 HydrophobicContact CD2-CB 3.75Å; Y214-L225 HydrophobicContact CE1-CD1 4.31Å; Y214-L225 HydrophobicContact CE2-CB 3.52Å; Y214-L225 HydrophobicContact CE2-CD1 3.52Å; Y214-L225 HydrophobicContact CE2-CG 4.11Å; Y214-L225 WeakPolarHBondContact OH-CD1 3.41Å; Y214-I226 HydrophobicContact CD2-CG1 3.81Å; Y214-I226 HydrophobicContact CE2-CG1 4.46Å
215D77.8Confident74.6Confident48 Ų4861.5 Ų61.526%0.25731%0.313SS..  trans-104.498.1-178.7-177.75.6000110.9S217 R218 L225 I227D215-S217 PolarHBondContact O-N 2.87Å; D215-S217 VanDerWaalsContact OD1-CB 3.23Å; D215-S217 WeakPolarHBondContact OD1-CB 3.42Å; D215-S217 PolarHBondContact OD1-N 3.21Å; D215-S217 PolarHBondContact OD1-OG 2.88Å; D215-S217 PolarHBondContact OD2-OG 2.98Å; D215-R218 HydrophobicContact CB-CG 4.47Å; D215-R218 PolarHBondContact O-N 2.9Å; D215-R218 IonicContact OD2-NE 3.99Å; D215-R218 PolarHBondContact OD2-NE 3.43Å; D215-L225 PolarHBondContact N-O 3.12Å; D215-L225 WeakPolarHBondContact O-CB 3.05Å; D215-L225 VanDerWaalsContact O-CD2 3.25Å; D215-L225 WeakPolarHBondContact O-CD2 3.3Å; D215-I227 HydrophobicContact CB-CD1 4.15Å
216R73Confident73.4Confident188 Ų18855.2 Ų55.271%0.70928%0.284SS*.THydrogen-bonded Turntrans-64-15176-69.8-176.8-177.4-168.9-3.3113.8Y214 R218Y214-R216 HydrophobicContact CD1-CG 3.81Å; Y214-R216 HydrophobicContact CE1-CG 3.38Å; R216-R218 VanDerWaalsContact C-N 3.26Å; R216-R218 PolarHBondContact O-N 3.28Å
217S67.3Low72.1Confident97 Ų9755.8 Ų55.868%0.67829%0.286SS*.THydrogen-bonded Turntrans-77.5-12.3-177.776.10000113.3D215D215-S217 PolarHBondContact O-N 2.87Å; D215-S217 VanDerWaalsContact OD1-CB 3.23Å; D215-S217 WeakPolarHBondContact OD1-CB 3.42Å; D215-S217 PolarHBondContact OD1-N 3.21Å; D215-S217 PolarHBondContact OD1-OG 2.88Å; D215-S217 PolarHBondContact OD2-OG 2.98Å
218R60.7Low70.8Confident113 Ų11357.1 Ų57.143%0.42630%0.295SS..SBendtrans-81.5126.4178.3-69.7-179.6178.7-153.5-3.2110.9D215 R216 T220 N224 L225D215-R218 HydrophobicContact CB-CG 4.47Å; D215-R218 PolarHBondContact O-N 2.9Å; D215-R218 IonicContact OD2-NE 3.99Å; D215-R218 PolarHBondContact OD2-NE 3.43Å; R216-R218 VanDerWaalsContact C-N 3.26Å; R216-R218 PolarHBondContact O-N 3.28Å; R218-T220 VanDerWaalsContact C-N 3.29Å; R218-T220 PolarHBondContact O-N 2.93Å; R218-N224 VanDerWaalsContact CD-O 3.24Å; R218-N224 WeakPolarHBondContact CD-O 3.36Å; R218-L225 HydrophobicContact CB-CD2 3.86Å; R218-L225 WeakPolarHBondContact O-CD2 3.2Å
219P45.7Very low70Confident129 Ų12960.4 Ų60.484%0.83831%0.311SS*.  trans-85.839.9-169.132.7-36.5000114.8
220T50.6Low69.2Low75 Ų7564.9 Ų64.946%0.4633%0.334SS..SBendtrans-138.6176.3-171.550.30000113.4R218 N224R218-T220 VanDerWaalsContact C-N 3.29Å; R218-T220 PolarHBondContact O-N 2.93Å; T220-N224 WeakPolarHBondContact CB-ND2 3.3Å; T220-N224 WeakPolarHBondContact OG1-CB 3.49Å; T220-N224 PolarHBondContact OG1-ND2 3.07Å
221K54.6Low68.4Low176 Ų17665.6 Ų65.677%0.76534%0.338SS*.  trans-39.8144.4-178.6-70.5-174.6178.5-175.70110.8L223 N224K221-L223 PolarHBondContact O-N 3.44Å; K221-N224 WeakPolarHBondContact O-CA 3.49Å; K221-N224 VanDerWaalsContact O-CB 3.25Å; K221-N224 WeakPolarHBondContact O-CB 3.43Å; K221-N224 PolarHBondContact O-N 3.08Å
222V54.8Low67.7Low66 Ų6669.5 Ų69.540%0.436%0.362SS..G310 helixtrans-45.1-39-172.5178.20000114.7A139 Y214 N224 L225A139-V222 VanDerWaalsContact C-CG1 3.44Å; A139-V222 VanDerWaalsContact CA-CG1 3.43Å; A139-V222 HydrophobicContact CB-CG1 3.59Å; A139-V222 WeakPolarHBondContact O-CG1 3.25Å; Y214-V222 HydrophobicContact CE2-CG1 4.18Å; V222-N224 VanDerWaalsContact C-N 3.3Å; V222-N224 PolarHBondContact O-N 2.76Å; V222-L225 WeakPolarHBondContact O-CB 3.49Å; V222-L225 WeakPolarHBondContact O-CG 3.43Å; V222-L225 PolarHBondContact O-N 3.22Å; V222-L225 VanDerWaalsContact O-N 3.08Å
223L55.9Low67.1Low40 Ų4072.9 Ų72.921%0.20939%0.385CS..G310 helixtrans-62.5-31.6176-74.1166.1000114.3A102 K221 L225 I226A102-L223 HydrophobicContact CB-CD2 3.94Å; K221-L223 PolarHBondContact O-N 3.44Å; L223-L225 PolarHBondContact O-N 3.48Å; L223-I226 HydrophobicContact CD2-CD1 4.4Å; L223-I226 PolarHBondContact O-N 3.44Å
224N56.7Low67Low82 Ų8279.4 Ų79.444%0.43941%0.413SS..G310 helixtrans-72.9-14.8176.7-63.1-1.3000112.8R218 T220 K221 V222 I226R218-N224 VanDerWaalsContact CD-O 3.24Å; R218-N224 WeakPolarHBondContact CD-O 3.36Å; T220-N224 WeakPolarHBondContact CB-ND2 3.3Å; T220-N224 WeakPolarHBondContact OG1-CB 3.49Å; T220-N224 PolarHBondContact OG1-ND2 3.07Å; K221-N224 WeakPolarHBondContact O-CA 3.49Å; K221-N224 VanDerWaalsContact O-CB 3.25Å; K221-N224 WeakPolarHBondContact O-CB 3.43Å; K221-N224 PolarHBondContact O-N 3.08Å; V222-N224 VanDerWaalsContact C-N 3.3Å; V222-N224 PolarHBondContact O-N 2.76Å; N224-I226 VanDerWaalsContact C-N 3.26Å
225L54Low67.2Low16 Ų1680 Ų808%0.08442%0.419CS..G310 helixtrans-74.9-22.4168.7-47.9178.2000110.4Y214 D215 R218 V222 L223Y214-L225 HydrophobicContact CD2-CB 3.75Å; Y214-L225 HydrophobicContact CE1-CD1 4.31Å; Y214-L225 HydrophobicContact CE2-CB 3.52Å; Y214-L225 HydrophobicContact CE2-CD1 3.52Å; Y214-L225 HydrophobicContact CE2-CG 4.11Å; Y214-L225 WeakPolarHBondContact OH-CD1 3.41Å; D215-L225 PolarHBondContact N-O 3.12Å; D215-L225 WeakPolarHBondContact O-CB 3.05Å; D215-L225 VanDerWaalsContact O-CD2 3.25Å; D215-L225 WeakPolarHBondContact O-CD2 3.3Å; R218-L225 HydrophobicContact CB-CD2 3.86Å; R218-L225 WeakPolarHBondContact O-CD2 3.2Å; V222-L225 WeakPolarHBondContact O-CB 3.49Å; V222-L225 WeakPolarHBondContact O-CG 3.43Å; V222-L225 PolarHBondContact O-N 3.22Å; V222-L225 VanDerWaalsContact O-N 3.08Å; L223-L225 PolarHBondContact O-N 3.48Å
226I59.1Low67.8Low16 Ų1678.1 Ų78.18%0.08241%0.408CS..EExtended strand (participates in β ladder)trans-91122.3-176.9-57.2166.8000109.9H69 V137 V212 S213 Y214 L223 N224H69-I226 HydrophobicContact CB-CB 4.22Å; H69-I226 HydrophobicContact CB-CD1 3.61Å; H69-I226 HydrophobicContact CB-CG1 4.43Å; H69-I226 HydrophobicContact CB-CG2 3.56Å; V137-I226 WeakPolarHBondContact O-CD1 3.43Å; V212-I226 HydrophobicContact CG1-CG2 3.71Å; S213-I226 VanDerWaalsContact O-CA 3.31Å; S213-I226 WeakPolarHBondContact O-CA 3.41Å; Y214-I226 HydrophobicContact CD2-CG1 3.81Å; Y214-I226 HydrophobicContact CE2-CG1 4.46Å; L223-I226 HydrophobicContact CD2-CD1 4.4Å; L223-I226 PolarHBondContact O-N 3.44Å; N224-I226 VanDerWaalsContact C-N 3.26Å
227I61.8Low68.8Low28 Ų2872.3 Ų72.314%0.14439%0.39CS..EExtended strand (participates in β ladder)trans-112.2114.7177.7-53166000107.3V212 S213 D215 E229V212-I227 CarbonylContact C-O 3.6Å; V212-I227 VanDerWaalsContact CA-O 3.25Å; V212-I227 WeakPolarHBondContact CA-O 3.37Å; S213-I227 PolarHBondContact N-O 2.87Å; S213-I227 PolarHBondContact O-N 3.43Å; D215-I227 HydrophobicContact CB-CD1 4.15Å; I227-E229 HydrophobicContact CG2-CB 4.21Å; I227-E229 HydrophobicContact CG2-CG 4.07Å
228S65.1Low70.1Confident32 Ų3269.7 Ų69.722%0.22437%0.371CS..EExtended strand (participates in β ladder)trans-105.8104.9165.9173.80000108.3E68 I71 I211E68-S228 VanDerWaalsContact O-CB 3.24Å; E68-S228 WeakPolarHBondContact O-CB 3.17Å; I71-S228 WeakPolarHBondContact CG2-OG 3.28Å; I211-S228 WeakPolarHBondContact O-CA 3.48Å
229E76Confident71.7Confident95 Ų9564.3 Ų64.344%0.44435%0.351SS..EExtended strand (participates in β ladder)trans-125.2135.3-179.962.6-173.4-173.200111.5C210 I211 I227 V231C210-E229 WeakPolarHBondContact CA-O 3.45Å; C210-E229 PolarHBondContact SG-O 3.34Å; I211-E229 PolarHBondContact N-O 3.26Å; I211-E229 PolarHBondContact O-N 3.29Å; I227-E229 HydrophobicContact CG2-CB 4.21Å; I227-E229 HydrophobicContact CG2-CG 4.07Å; E229-V231 PolarHBondContact O-N 3.12Å
230L78.8Confident74.1Confident99 Ų9958.5 Ų58.552%0.51831%0.313SS..EExtended strand (participates in β ladder)trans-65.6130.4161.3-81.2160.7000106.9E208 C210 T232E208-L230 HydrophobicContact CG-CD2 4.11Å; C210-L230 HydrophobicContact CB-CD2 4.34Å; L230-T232 PolarHBondContact O-N 3.23Å
231V77.5Confident76.2Confident19 Ų1962.9 Ų62.912%0.11532%0.321CS..PPolyproline II helixtrans-60.7133.4-178.4177.50000109.1L189 A209 I211 E229 L235 L236L189-V231 HydrophobicContact CD1-CG2 4.38Å; L189-V231 HydrophobicContact CD2-CG1 3.91Å; L189-V231 HydrophobicContact CD2-CG2 4.14Å; A209-V231 HydrophobicContact CB-CB 4.16Å; A209-V231 HydrophobicContact CB-CG2 3.77Å; A209-V231 PolarHBondContact O-N 2.69Å; I211-V231 HydrophobicContact CD1-CG2 3.75Å; I211-V231 HydrophobicContact CG1-CG2 3.74Å; E229-V231 PolarHBondContact O-N 3.12Å; V231-L235 HydrophobicContact CG1-CB 3.88Å; V231-L235 HydrophobicContact CG1-CD2 3.97Å; V231-L235 HydrophobicContact CG1-CG 3.88Å; V231-L236 HydrophobicContact CG1-CB 3.92Å
232T80.4Confident78.2Confident84 Ų8457.6 Ų57.652%0.51530%0.299SS..PPolyproline II helixtrans-63150.7176.762.30000110.7L230 E234 L235 L236L230-T232 PolarHBondContact O-N 3.23Å; T232-E234 PolarHBondContact O-N 2.93Å; T232-L235 PolarHBondContact O-N 3.35Å; T232-L235 WeakPolarHBondContact OG1-CB 3.33Å; T232-L235 PolarHBondContact OG1-N 3.37Å; T232-L236 WeakPolarHBondContact O-CB 3.32Å; T232-L236 PolarHBondContact O-N 3.35Å
233S82.4Confident80.1Confident71 Ų7154.6 Ų54.650%0.49728%0.281SS..Hα-helixtrans-54.5-40.2176.7-163.10000111.1L236 E237S233-L236 PolarHBondContact O-N 2.7Å; S233-E237 VanDerWaalsContact O-CB 3.28Å; S233-E237 WeakPolarHBondContact O-CB 3.37Å; S233-E237 WeakPolarHBondContact O-CG 3.34Å; S233-E237 PolarHBondContact O-N 3.23Å; S233-E237 PolarHBondContact OG-OE1 2.72Å
234E88.4Confident82Confident159 Ų15954.3 Ų54.374%0.74328%0.279SS*.Hα-helixtrans-61.9-49.1-179.9-64.1171.1-172.900112.9T232 E237 S238T232-E234 PolarHBondContact O-N 2.93Å; E234-E237 PolarHBondContact O-N 2.83Å; E234-S238 PolarHBondContact O-N 3.07Å
235L90.7Very high83.8Confident47 Ų4753 Ų5325%0.24628%0.28CS..Hα-helixtrans-65.2-44.7178.6176.957.1000110.4L189 V231 T232 E237 S238 V239L189-L235 HydrophobicContact CD2-CD2 4.37Å; L189-L235 HydrophobicContact CD2-CG 4.18Å; V231-L235 HydrophobicContact CG1-CB 3.88Å; V231-L235 HydrophobicContact CG1-CD2 3.97Å; V231-L235 HydrophobicContact CG1-CG 3.88Å; T232-L235 PolarHBondContact O-N 3.35Å; T232-L235 WeakPolarHBondContact OG1-CB 3.33Å; T232-L235 PolarHBondContact OG1-N 3.37Å; L235-E237 PolarHBondContact O-N 2.81Å; L235-S238 PolarHBondContact O-N 2.95Å; L235-S238 PolarHBondContact O-OG 3.38Å; L235-V239 HydrophobicContact CD1-CG2 4.27Å; L235-V239 WeakPolarHBondContact O-CG2 3.26Å; L235-V239 PolarHBondContact O-N 3.2Å
236L90.8Very high85.7Confident8 Ų855 Ų554%0.04229%0.288CS..Hα-helixtrans-61.4-45.6178.6-175.861.1000111.6V193 V207 A209 V231 T232 S233 S238 V239 V240V193-L236 HydrophobicContact CG2-CD1 4.33Å; V207-L236 HydrophobicContact CB-CD1 4.36Å; V207-L236 HydrophobicContact CB-CD2 4.33Å; V207-L236 HydrophobicContact CG1-CD1 3.95Å; V207-L236 HydrophobicContact CG1-CD2 4.49Å; V207-L236 WeakPolarHBondContact O-CD2 3.19Å; A209-L236 HydrophobicContact CB-CD1 4.41Å; V231-L236 HydrophobicContact CG1-CB 3.92Å; T232-L236 WeakPolarHBondContact O-CB 3.32Å; T232-L236 PolarHBondContact O-N 3.35Å; S233-L236 PolarHBondContact O-N 2.7Å; L236-S238 VanDerWaalsContact C-N 3.33Å; L236-S238 PolarHBondContact O-N 3.04Å; L236-V239 PolarHBondContact O-N 3.21Å; L236-V240 HydrophobicContact CD1-CG2 4.24Å; L236-V240 HydrophobicContact CG-CG2 4.35Å; L236-V240 WeakPolarHBondContact O-CB 3.49Å; L236-V240 WeakPolarHBondContact O-CG2 3.43Å; L236-V240 PolarHBondContact O-N 2.83Å
237E93.3Very high87.2Confident67 Ų6758.1 Ų58.131%0.31330%0.299SS..Hα-helixtrans-59.5-43175.7-79.1177.2-141.800112.1A204 S233 E234 L235 V239 V240 R241A204-E237 HydrophobicContact CB-CG 3.56Å; S233-E237 VanDerWaalsContact O-CB 3.28Å; S233-E237 WeakPolarHBondContact O-CB 3.37Å; S233-E237 WeakPolarHBondContact O-CG 3.34Å; S233-E237 PolarHBondContact O-N 3.23Å; S233-E237 PolarHBondContact OG-OE1 2.72Å; E234-E237 PolarHBondContact O-N 2.83Å; L235-E237 PolarHBondContact O-N 2.81Å; E237-V239 PolarHBondContact O-N 3.22Å; E237-V240 PolarHBondContact O-N 3.18Å; E237-R241 VanDerWaalsContact O-CG 3.29Å; E237-R241 WeakPolarHBondContact O-CG 3.48Å; E237-R241 PolarHBondContact O-N 3.13Å; E237-R241 IonicContact OE2-NH2 3.48Å; E237-R241 PolarHBondContact OE2-NH2 3.47Å
238S94.9Very high88.7Confident41 Ų4162.9 Ų62.929%0.28732%0.321SS..Hα-helixtrans-60.7-45.8178.680.80000111.6E234 L235 L236 R241 E242E234-S238 PolarHBondContact O-N 3.07Å; L235-S238 PolarHBondContact O-N 2.95Å; L235-S238 PolarHBondContact O-OG 3.38Å; L236-S238 VanDerWaalsContact C-N 3.33Å; L236-S238 PolarHBondContact O-N 3.04Å; S238-R241 PolarHBondContact O-N 3.37Å; S238-E242 WeakPolarHBondContact O-CB 3.42Å; S238-E242 PolarHBondContact O-N 2.99Å; S238-E242 VanDerWaalsContact O-N 3.1Å
239V95Very high90Very high0 Ų063.8 Ų63.80%033%0.33CS..Hα-helixtrans-68-42.2179.21720000110.7R186 L189 K190 V193 L235 L236 E237 R241 E242 V243R186-V239 HydrophobicContact CG-CG2 4.44Å; L189-V239 HydrophobicContact CD2-CG2 3.98Å; L189-V239 HydrophobicContact CG-CG1 4.31Å; L189-V239 HydrophobicContact CG-CG2 4.37Å; K190-V239 HydrophobicContact CB-CG1 3.97Å; K190-V239 HydrophobicContact CG-CG1 4.32Å; V193-V239 HydrophobicContact CB-CG1 4.2Å; V193-V239 HydrophobicContact CG2-CG1 4.05Å; L235-V239 HydrophobicContact CD1-CG2 4.27Å; L235-V239 WeakPolarHBondContact O-CG2 3.26Å; L235-V239 PolarHBondContact O-N 3.2Å; L236-V239 PolarHBondContact O-N 3.21Å; E237-V239 PolarHBondContact O-N 3.22Å; V239-R241 PolarHBondContact O-N 3.17Å; V239-E242 WeakPolarHBondContact O-CB 3.41Å; V239-E242 PolarHBondContact O-N 3.33Å; V239-V243 HydrophobicContact CG1-CG2 4.26Å; V239-V243 WeakPolarHBondContact O-CB 3.4Å; V239-V243 VanDerWaalsContact O-CG2 3.3Å; V239-V243 WeakPolarHBondContact O-CG2 3.48Å; V239-V243 PolarHBondContact O-N 3Å
240V94.7Very high90.6Very high7 Ų762.2 Ų62.24%0.04232%0.323CS..Hα-helixtrans-60.8-45.1177.7167.60000111.2V193 P202 L236 E237 E242 V243 I244V193-V240 HydrophobicContact CG1-CG2 3.94Å; P202-V240 HydrophobicContact CB-CG1 4.31Å; P202-V240 HydrophobicContact CB-CG2 4.38Å; P202-V240 HydrophobicContact CG-CG1 4.44Å; P202-V240 VanDerWaalsContact O-CG1 3.3Å; P202-V240 WeakPolarHBondContact O-CG1 3.35Å; L236-V240 HydrophobicContact CD1-CG2 4.24Å; L236-V240 HydrophobicContact CG-CG2 4.35Å; L236-V240 WeakPolarHBondContact O-CB 3.49Å; L236-V240 WeakPolarHBondContact O-CG2 3.43Å; L236-V240 PolarHBondContact O-N 2.83Å; E237-V240 PolarHBondContact O-N 3.18Å; V240-E242 VanDerWaalsContact C-N 3.33Å; V240-E242 PolarHBondContact O-N 3.42Å; V240-V243 PolarHBondContact O-N 2.89Å; V240-I244 HydrophobicContact CG1-CD1 3.78Å; V240-I244 HydrophobicContact CG1-CG1 4.45Å; V240-I244 VanDerWaalsContact O-CG1 3.32Å; V240-I244 WeakPolarHBondContact O-CG1 3.27Å; V240-I244 PolarHBondContact O-N 3.49Å
241R95.8Very high91Very high168 Ų16860.3 Ų60.363%0.63432%0.315SS*.Hα-helixtrans-60.4-44.1176.7-71.6176.2-160.8173.39.8111.6E237 S238 V239 I244 A245E237-R241 VanDerWaalsContact O-CG 3.29Å; E237-R241 WeakPolarHBondContact O-CG 3.48Å; E237-R241 PolarHBondContact O-N 3.13Å; E237-R241 IonicContact OE2-NH2 3.48Å; E237-R241 PolarHBondContact OE2-NH2 3.47Å; S238-R241 PolarHBondContact O-N 3.37Å; V239-R241 PolarHBondContact O-N 3.17Å; R241-I244 PolarHBondContact O-N 2.72Å; R241-A245 WeakPolarHBondContact O-CB 3.46Å; R241-A245 PolarHBondContact O-N 3.48Å
242E95.9Very high91.4Very high65 Ų6562.7 Ų62.730%0.30433%0.333SS..Hα-helixtrans-60.5-45.7176.7-168.2178.5159.500111.5R186 K190 S238 V239 V240 I244 A245 E246R186-E242 IonicContact NH2-OE2 3.21Å; R186-E242 PolarHBondContact NH2-OE2 3.16Å; K190-E242 VanDerWaalsContact CE-OE1 3.26Å; K190-E242 WeakPolarHBondContact CE-OE1 3.44Å; K190-E242 IonicContact NZ-OE1 3.44Å; K190-E242 PolarHBondContact NZ-OE1 3.45Å; S238-E242 WeakPolarHBondContact O-CB 3.42Å; S238-E242 PolarHBondContact O-N 2.99Å; S238-E242 VanDerWaalsContact O-N 3.1Å; V239-E242 WeakPolarHBondContact O-CB 3.41Å; V239-E242 PolarHBondContact O-N 3.33Å; V240-E242 VanDerWaalsContact C-N 3.33Å; V240-E242 PolarHBondContact O-N 3.42Å; E242-I244 PolarHBondContact O-N 3.5Å; E242-A245 PolarHBondContact O-N 2.89Å; E242-E246 WeakPolarHBondContact O-CG 3.36Å; E242-E246 PolarHBondContact O-N 3.37Å
243V95.6Very high91.4Very high3 Ų362.1 Ų62.12%0.01833%0.329CS..Hα-helixtrans-63.7-39.71781660000112.9K190 V193 R194 H197 V239 V240 R247K190-V243 HydrophobicContact CG-CG2 3.87Å; V193-V243 HydrophobicContact CB-CG2 4.2Å; V193-V243 HydrophobicContact CG1-CB 4.23Å; V193-V243 HydrophobicContact CG1-CG1 4.2Å; V193-V243 HydrophobicContact CG1-CG2 4.03Å; R194-V243 HydrophobicContact CB-CG1 4.41Å; R194-V243 HydrophobicContact CG-CB 4.22Å; R194-V243 HydrophobicContact CG-CG1 3.8Å; R194-V243 HydrophobicContact CG-CG2 3.52Å; H197-V243 HydrophobicContact CB-CG1 4.14Å; V239-V243 HydrophobicContact CG1-CG2 4.26Å; V239-V243 WeakPolarHBondContact O-CB 3.4Å; V239-V243 VanDerWaalsContact O-CG2 3.3Å; V239-V243 WeakPolarHBondContact O-CG2 3.48Å; V239-V243 PolarHBondContact O-N 3Å; V240-V243 PolarHBondContact O-N 2.89Å; V243-R247 PolarHBondContact O-N 3.22Å; V243-R247 VanDerWaalsContact O-N 3.16Å
244I95.1Very high91.2Very high34 Ų3462.8 Ų62.817%0.17433%0.33CS..Hα-helixtrans-65.6-48.3177-68.8168.2000109.8P202 V240 R241 E242 E246 R247 E248P202-I244 HydrophobicContact CG-CG1 4.42Å; V240-I244 HydrophobicContact CG1-CD1 3.78Å; V240-I244 HydrophobicContact CG1-CG1 4.45Å; V240-I244 VanDerWaalsContact O-CG1 3.32Å; V240-I244 WeakPolarHBondContact O-CG1 3.27Å; V240-I244 PolarHBondContact O-N 3.49Å; R241-I244 PolarHBondContact O-N 2.72Å; E242-I244 PolarHBondContact O-N 3.5Å; I244-E246 PolarHBondContact O-N 3.34Å; I244-R247 PolarHBondContact O-N 3.27Å; I244-E248 WeakPolarHBondContact O-CG 3.42Å; I244-E248 PolarHBondContact O-N 2.99Å
245A95.4Very high90.4Very high55 Ų5564.3 Ų64.346%0.45533%0.329SS..Hα-helixtrans-60.3-42.5179.500000112.6R241 E242 R247 E248 A249R241-A245 WeakPolarHBondContact O-CB 3.46Å; R241-A245 PolarHBondContact O-N 3.48Å; E242-A245 PolarHBondContact O-N 2.89Å; A245-R247 PolarHBondContact O-N 3.43Å; A245-E248 PolarHBondContact O-N 3.34Å; A245-A249 PolarHBondContact O-N 2.68Å
246E93.8Very high89.3Confident56 Ų5666.1 Ų66.126%0.26235%0.346SS..Hα-helixtrans-61.4-42.7175.4-75.7-171.5162.700112.3K190 R194 E242 I244 A249 E250K190-E246 WeakPolarHBondContact CE-OE1 3.46Å; K190-E246 WeakPolarHBondContact CE-OE2 3.18Å; K190-E246 IonicContact NZ-OE1 2.65Å; K190-E246 PolarHBondContact NZ-OE1 3.31Å; K190-E246 IonicContact NZ-OE2 3.52Å; R194-E246 IonicContact CZ-OE2 3.81Å; R194-E246 IonicContact NE-OE2 3.55Å; R194-E246 IonicContact NH1-OE2 3.88Å; R194-E246 PolarHBondContact NH1-OE2 2.68Å; E242-E246 WeakPolarHBondContact O-CG 3.36Å; E242-E246 PolarHBondContact O-N 3.37Å; I244-E246 PolarHBondContact O-N 3.34Å; E246-A249 PolarHBondContact O-N 2.91Å; E246-E250 WeakPolarHBondContact O-CG 3.46Å; E246-E250 PolarHBondContact O-N 2.66Å
247R90.6Very high87.9Confident83 Ų8372.9 Ų72.931%0.31338%0.377SS..Hα-helixtrans-66.1-40.2-179.8-175.354.4164.9-146.1-13.1111.6E198 V243 I244 A245 A249 E250 V251E198-R247 IonicContact OE1-CZ 2.68Å; E198-R247 IonicContact OE1-NH1 2.66Å; E198-R247 PolarHBondContact OE1-NH1 2.92Å; E198-R247 IonicContact OE1-NH2 3.51Å; E198-R247 PolarHBondContact OE1-NH2 3.05Å; E198-R247 IonicContact OE2-CZ 2.72Å; E198-R247 IonicContact OE2-NH1 3.48Å; E198-R247 IonicContact OE2-NH2 3.55Å; E198-R247 PolarHBondContact OE2-NH2 2.94Å; E198-R247 VanDerWaalsContact OE2-NH2 3.07Å; V243-R247 PolarHBondContact O-N 3.22Å; V243-R247 VanDerWaalsContact O-N 3.16Å; I244-R247 PolarHBondContact O-N 3.27Å; A245-R247 PolarHBondContact O-N 3.43Å; R247-A249 VanDerWaalsContact C-N 3.31Å; R247-A249 PolarHBondContact O-N 3.21Å; R247-E250 IonicContact NH1-OE2 2.76Å; R247-E250 PolarHBondContact O-N 3.26Å; R247-V251 VanDerWaalsContact O-CG2 3.3Å; R247-V251 WeakPolarHBondContact O-CG2 2.74Å; R247-V251 PolarHBondContact O-N 3.35Å
248E91.7Very high85.8Confident128 Ų12879.8 Ų79.860%0.59841%0.409SS*.Hα-helixtrans-63.7-38175.5-70.4174.7175.100111.8I244 A245 V251 S252I244-E248 WeakPolarHBondContact O-CG 3.42Å; I244-E248 PolarHBondContact O-N 2.99Å; A245-E248 PolarHBondContact O-N 3.34Å; E248-V251 PolarHBondContact O-N 3.09Å; E248-S252 PolarHBondContact O-N 2.88Å; E248-S252 PolarHBondContact O-OG 3.42Å
249A92.6Very high85.4Confident50 Ų5081.8 Ų81.841%0.41342%0.415SS..Hα-helixtrans-67.2-40.4173.900000112.9A245 E246 R247 V251 S252 T253A245-A249 PolarHBondContact O-N 2.68Å; E246-A249 PolarHBondContact O-N 2.91Å; R247-A249 VanDerWaalsContact C-N 3.31Å; R247-A249 PolarHBondContact O-N 3.21Å; A249-V251 VanDerWaalsContact C-N 3.35Å; A249-V251 PolarHBondContact O-N 3.35Å; A249-S252 WeakPolarHBondContact CA-OG 3.33Å; A249-S252 PolarHBondContact O-N 3.48Å; A249-S252 PolarHBondContact O-OG 3.46Å; A249-T253 WeakPolarHBondContact O-CB 3.43Å; A249-T253 PolarHBondContact O-N 3.37Å; A249-T253 PolarHBondContact O-OG1 2.67Å
250E89Confident84.9Confident62 Ų6286.1 Ų86.129%0.2944%0.437SS..Hα-helixtrans-62.8-41175.5-73.4176173.100111.5R194 E246 R247 T254R194-E250 IonicContact CZ-OE1 3.15Å; R194-E250 IonicContact NH2-OE1 3.22Å; R194-E250 PolarHBondContact NH2-OE1 3.09Å; R194-E250 IonicContact NH2-OE2 3.57Å; E246-E250 WeakPolarHBondContact O-CG 3.46Å; E246-E250 PolarHBondContact O-N 2.66Å; R247-E250 IonicContact NH1-OE2 2.76Å; R247-E250 PolarHBondContact O-N 3.26Å; E250-T254 PolarHBondContact O-N 3.24Å; E250-T254 VanDerWaalsContact O-N 3.11Å; E250-T254 PolarHBondContact O-OG1 3.16Å
251V87.2Confident84.3Confident60 Ų6090.4 Ų90.436%0.36446%0.459SS..Hα-helixtrans-69.4-41.5178.8173.20000111.5R247 E248 A249 T254 R255R247-V251 VanDerWaalsContact O-CG2 3.3Å; R247-V251 WeakPolarHBondContact O-CG2 2.74Å; R247-V251 PolarHBondContact O-N 3.35Å; E248-V251 PolarHBondContact O-N 3.09Å; A249-V251 VanDerWaalsContact C-N 3.35Å; A249-V251 PolarHBondContact O-N 3.35Å; V251-T254 PolarHBondContact O-N 3.11Å; V251-R255 WeakPolarHBondContact O-CG 3.04Å; V251-R255 PolarHBondContact O-N 2.47Å; V251-R255 VanDerWaalsContact O-N 3.15Å
252S85.5Confident83.7Confident68 Ų6885.9 Ų85.948%0.47645%0.449SS..Hα-helixtrans-65-42.2177.562.10000112.1E248 A249 T254 R255 S256E248-S252 PolarHBondContact O-N 2.88Å; E248-S252 PolarHBondContact O-OG 3.42Å; A249-S252 WeakPolarHBondContact CA-OG 3.33Å; A249-S252 PolarHBondContact O-N 3.48Å; A249-S252 PolarHBondContact O-OG 3.46Å; S252-T254 VanDerWaalsContact C-N 3.32Å; S252-T254 PolarHBondContact O-N 2.85Å; S252-R255 PolarHBondContact O-N 3.4Å; S252-S256 PolarHBondContact O-N 3.1Å; S252-S256 VanDerWaalsContact O-N 3.1Å; S252-S256 PolarHBondContact O-OG 3.3Å
253T82Confident82.9Confident73 Ų7387.2 Ų87.245%0.44846%0.458SS..Hα-helixtrans-61.2-39.4175.1-49.50000112A249 R255 S256 H257A249-T253 WeakPolarHBondContact O-CB 3.43Å; A249-T253 PolarHBondContact O-N 3.37Å; A249-T253 PolarHBondContact O-OG1 2.67Å; T253-R255 VanDerWaalsContact C-N 3.32Å; T253-R255 PolarHBondContact O-N 3.16Å; T253-S256 PolarHBondContact O-N 2.96Å; T253-S256 PolarHBondContact O-OG 2.94Å; T253-H257 PolarHBondContact O-CD2 3.07Å
254T77.6Confident82Confident84 Ų8492.8 Ų92.852%0.51549%0.487SS..Hα-helixtrans-67.4-35.2179-52.60000111.8E250 V251 S252 H257 H258E250-T254 PolarHBondContact O-N 3.24Å; E250-T254 VanDerWaalsContact O-N 3.11Å; E250-T254 PolarHBondContact O-OG1 3.16Å; V251-T254 PolarHBondContact O-N 3.11Å; S252-T254 VanDerWaalsContact C-N 3.32Å; S252-T254 PolarHBondContact O-N 2.85Å; T254-H257 PolarHBondContact O-N 2.78Å; T254-H258 PolarHBondContact O-ND1 2.9Å
255R71.6Confident81.1Confident191 Ų19197 Ų9772%0.72151%0.509SS*.Hα-helixtrans-73.2-29.7177.4-73.9179.4178.9-178.30.7113.6V251 S252 T253 H257V251-R255 WeakPolarHBondContact O-CG 3.04Å; V251-R255 PolarHBondContact O-N 2.47Å; V251-R255 VanDerWaalsContact O-N 3.15Å; S252-R255 PolarHBondContact O-N 3.4Å; T253-R255 VanDerWaalsContact C-N 3.32Å; T253-R255 PolarHBondContact O-N 3.16Å; R255-H257 PolarHBondContact O-N 2.82Å
256S67.8Low80Confident85 Ų85100.2 Ų100.259%0.59451%0.513SS*.Hα-helixtrans-74.9-12.5176.352.20000113.9S252 T253S252-S256 PolarHBondContact O-N 3.1Å; S252-S256 VanDerWaalsContact O-N 3.1Å; S252-S256 PolarHBondContact O-OG 3.3Å; T253-S256 PolarHBondContact O-N 2.96Å; T253-S256 PolarHBondContact O-OG 2.94Å
257H61.1Low78.9Confident150 Ų150103.9 Ų103.969%0.69453%0.534SS*.THydrogen-bonded Turntrans-101.36.2178.3-68.9-54.5000113.9T253 T254 R255T253-H257 PolarHBondContact O-CD2 3.07Å; T254-H257 PolarHBondContact O-N 2.78Å; R255-H257 PolarHBondContact O-N 2.82Å
258H49.8Very low77.8Confident213 Ų213105.8 Ų105.899%0.98655%0.554SS**  trans-117.10171-7268.4000109.5T254T254-H258 PolarHBondContact O-ND1 2.9Å

Retrieved 258 of 258 residues in 414.7 ms (Link to these results)

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