A0A077ZEG9_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZEG9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 396 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
1M53.3Low80.4Confident179 Ų17962.1 Ų62.188%0.88231%0.307SS*.  0126.10-92.5169.9172.800110.9E208M1-E208 VanDerWaalsContact CE-OE2 3.3Å; M1-E208 WeakPolarHBondContact CE-OE2 3.1Å; M1-E208 WeakPolarHBondContact CG-OE2 3.41Å
2V60Low81.6Confident39 Ų3958.8 Ų58.824%0.23629%0.289CS..  trans-81.6112.9163.6178.60000105.1P4 T226 R227V2-P4 VanDerWaalsContact O-CD 3.28Å; V2-P4 WeakPolarHBondContact O-CD 3.38Å; V2-T226 HydrophobicContact CB-CG2 4.4Å; V2-T226 HydrophobicContact CG1-CG2 4.18Å; V2-T226 HydrophobicContact CG2-CG2 3.38Å; V2-R227 HydrophobicContact CB-CG 4.41Å; V2-R227 HydrophobicContact CG1-CG 3.7Å; V2-R227 HydrophobicContact CG2-CG 4.11Å
3Q73.8Confident82.4Confident130 Ų13064.1 Ų64.161%0.60733%0.326SS*.PPolyproline II helixtrans-70.4121.3169.7-83.7-174.2-14.900107.6R350Q3-R350 VanDerWaalsContact O-CD 3.29Å; Q3-R350 WeakPolarHBondContact O-CD 3.29Å; Q3-R350 PolarHBondContact O-NE 3.04Å; Q3-R350 PolarHBondContact O-NH2 3.11Å
4P79.6Confident83.3Confident19 Ų1965.4 Ų65.412%0.12334%0.335CS..PPolyproline II helixtrans-67.4172.4176.624.1-28.6000111.3V2 L6 Q94 K348 R350V2-P4 VanDerWaalsContact O-CD 3.28Å; V2-P4 WeakPolarHBondContact O-CD 3.38Å; P4-L6 HydrophobicContact CG-CD2 3.96Å; P4-L6 PolarHBondContact O-N 3.04Å; P4-Q94 HydrophobicContact CG-CG 4.31Å; P4-K348 WeakPolarHBondContact CA-O 3.41Å; P4-K348 WeakPolarHBondContact CB-O 3.33Å; P4-R350 PolarHBondContact O-NH2 2.87Å
5D82.3Confident84.1Confident31 Ų3164.4 Ų64.417%0.16633%0.33CS..PPolyproline II helixtrans-62.9118.2159.2-168.5-3.9000108.7N7 R347 Y358D5-N7 VanDerWaalsContact C-N 3.33Å; D5-N7 VanDerWaalsContact OD1-CB 3.24Å; D5-N7 WeakPolarHBondContact OD1-CB 3.34Å; D5-N7 PolarHBondContact OD1-N 3.39Å; D5-R347 HydrophobicContact CB-CB 4.13Å; D5-R347 WeakPolarHBondContact CB-O 3.39Å; D5-R347 PolarHBondContact N-O 2.72Å; D5-R347 IonicContact OD2-NH1 3.36Å; D5-R347 PolarHBondContact OD2-NH1 3.41Å; D5-Y358 WeakPolarHBondContact CB-OH 3.26Å; D5-Y358 VanDerWaalsContact OD2-CE2 3.25Å; D5-Y358 WeakPolarHBondContact OD2-CE2 3.4Å; D5-Y358 VanDerWaalsContact OD2-CZ 3.28Å; D5-Y358 PolarHBondContact OD2-OH 2.93Å
6L83.2Confident84.8Confident46 Ų4670.2 Ų70.224%0.24135%0.352CS..  trans-96.810.5178.5-60.8178.9000111.8P4 F8 W42 I90P4-L6 HydrophobicContact CG-CD2 3.96Å; P4-L6 PolarHBondContact O-N 3.04Å; L6-F8 HydrophobicContact CB-CE2 4.25Å; L6-F8 HydrophobicContact CD2-CE2 4.08Å; L6-F8 HydrophobicContact CD2-CZ 4.14Å; L6-F8 WeakPolarHBondContact O-CD2 3.35Å; L6-F8 PolarHBondContact O-N 3.1Å; L6-W42 HydrophobicContact CB-CH2 3.91Å; L6-W42 HydrophobicContact CD1-CH2 4.19Å; L6-W42 HydrophobicContact CD1-CZ2 4.11Å; L6-I90 HydrophobicContact CD2-CG2 3.83Å
7N87.6Confident85.4Confident79 Ų7973.9 Ų73.942%0.42236%0.361SS..  trans-80.496.1171-172.2-16000110.1D5 D9D5-N7 VanDerWaalsContact C-N 3.33Å; D5-N7 VanDerWaalsContact OD1-CB 3.24Å; D5-N7 WeakPolarHBondContact OD1-CB 3.34Å; D5-N7 PolarHBondContact OD1-N 3.39Å; N7-D9 WeakPolarHBondContact OD1-CB 3.2Å; N7-D9 PolarHBondContact OD1-N 3.44Å; N7-D9 PolarHBondContact OD1-OD2 3.48Å
8F91.1Very high86Confident14 Ų1470.1 Ų70.16%0.06134%0.342CS..  trans-94.36.4175.6-56.5-73.6000112.9L6 R10 Y11 F12 Y39 I90 L93 Q94L6-F8 HydrophobicContact CB-CE2 4.25Å; L6-F8 HydrophobicContact CD2-CE2 4.08Å; L6-F8 HydrophobicContact CD2-CZ 4.14Å; L6-F8 WeakPolarHBondContact O-CD2 3.35Å; L6-F8 PolarHBondContact O-N 3.1Å; F8-R10 PolarHBondContact O-N 3.41Å; F8-Y11 HydrophobicContact CB-CD2 4.46Å; F8-Y11 HydrophobicContact CD1-CD2 4.48Å; F8-Y11 WeakPolarHBondContact O-CB 3.47Å; F8-Y11 PolarHBondContact O-N 3.49Å; F8-F12 HydrophobicContact CB-CD2 4.3Å; F8-F12 HydrophobicContact CB-CE2 3.94Å; F8-F12 WeakPolarHBondContact O-CD2 3.26Å; F8-Y39 HydrophobicContact CB-CD2 4.44Å; F8-Y39 HydrophobicContact CB-CE1 4.28Å; F8-Y39 HydrophobicContact CB-CE2 3.95Å; F8-Y39 HydrophobicContact CD2-CD2 4.13Å; F8-Y39 AromaticContact CD2-CE2 3.64Å; F8-Y39 HydrophobicContact CD2-CE2 3.64Å; F8-Y39 HydrophobicContact CG-CE2 4.3Å; F8-Y39 PolarHBondContact N-OH 3.3Å; F8-Y39 VanDerWaalsContact N-OH 3.11Å; F8-I90 HydrophobicContact CE2-CD1 4.24Å; F8-L93 HydrophobicContact CD1-CB 4.12Å; F8-L93 HydrophobicContact CD2-CB 4.06Å; F8-L93 HydrophobicContact CD2-CD1 3.76Å; F8-L93 HydrophobicContact CE1-CB 3.97Å; F8-L93 HydrophobicContact CE2-CB 3.91Å; F8-L93 HydrophobicContact CE2-CD1 4.11Å; F8-L93 HydrophobicContact CG-CB 4.17Å; F8-L93 HydrophobicContact CG-CD1 4.25Å; F8-L93 HydrophobicContact CZ-CB 3.87Å; F8-Q94 HydrophobicContact CE1-CG 4.49Å; F8-Q94 HydrophobicContact CZ-CG 3.98Å
9D92.3Very high86.5Confident51 Ų5172.3 Ų72.327%0.27335%0.346SS..Hα-helixtrans-53.8-37.2-173.7-66-11.5000111.6N7 Y11 F12 V13 Y39 K43N7-D9 WeakPolarHBondContact OD1-CB 3.2Å; N7-D9 PolarHBondContact OD1-N 3.44Å; N7-D9 PolarHBondContact OD1-OD2 3.48Å; D9-Y11 PolarHBondContact O-N 3.38Å; D9-F12 PolarHBondContact O-N 2.69Å; D9-V13 WeakPolarHBondContact O-CG2 3.31Å; D9-V13 PolarHBondContact O-N 3.01Å; D9-Y39 VanDerWaalsContact OD1-CE1 3.24Å; D9-Y39 WeakPolarHBondContact OD1-CE1 3.44Å; D9-Y39 PolarHBondContact OD1-OH 3.17Å; D9-K43 IonicContact OD1-NZ 2.76Å; D9-K43 PolarHBondContact OD1-NZ 3.49Å; D9-K43 IonicContact OD2-NZ 3.85Å; D9-K43 PolarHBondContact OD2-NZ 2.94Å
10R90Very high87Confident79 Ų7974.5 Ų74.530%0.29836%0.356SS..Hα-helixtrans-53-31.9179.474.2177.3-171.9174.81.7114F8 D343F8-R10 PolarHBondContact O-N 3.41Å; R10-D343 IonicContact CZ-OD1 3.08Å; R10-D343 IonicContact NH1-OD1 2.68Å; R10-D343 PolarHBondContact NH1-OD1 3.19Å; R10-D343 IonicContact NH1-OD2 2.67Å
11Y91.7Very high87.4Confident16 Ų1671.5 Ų71.56%0.06334%0.342CS..Hα-helixtrans-78.5-36.1179.2-71.2-71.6000111.6F8 D9 L18 L21 L96 P97F8-Y11 HydrophobicContact CB-CD2 4.46Å; F8-Y11 HydrophobicContact CD1-CD2 4.48Å; F8-Y11 WeakPolarHBondContact O-CB 3.47Å; F8-Y11 PolarHBondContact O-N 3.49Å; D9-Y11 PolarHBondContact O-N 3.38Å; Y11-L18 HydrophobicContact CD1-CD1 3.92Å; Y11-L21 HydrophobicContact CE1-CD2 4.33Å; Y11-L96 HydrophobicContact CD2-CD1 4.24Å; Y11-L96 HydrophobicContact CG-CD1 4.26Å; Y11-P97 VanDerWaalsContact CE1-O 3.27Å; Y11-P97 WeakPolarHBondContact CE1-O 3.43Å; Y11-P97 PolarHBondContact OH-O 3.32Å
12F94.5Very high89.5Confident23 Ų2363.1 Ų63.110%0.10130%0.301CS..Hα-helixtrans-92-10.4-172.4-60.1-65.3000114.3F8 D9 N14 L15 L18 L35 Y39 L93F8-F12 HydrophobicContact CB-CD2 4.3Å; F8-F12 HydrophobicContact CB-CE2 3.94Å; F8-F12 WeakPolarHBondContact O-CD2 3.26Å; D9-F12 PolarHBondContact O-N 2.69Å; F12-N14 PolarHBondContact O-N 3.34Å; F12-L15 HydrophobicContact CB-CD2 4.32Å; F12-L15 HydrophobicContact CD1-CD2 3.82Å; F12-L18 HydrophobicContact CD1-CD2 4Å; F12-L18 HydrophobicContact CE1-CD2 3.82Å; F12-L35 HydrophobicContact CE1-CB 4.2Å; F12-L35 HydrophobicContact CZ-CB 4.32Å; F12-Y39 AromaticContact CD2-CD1 3.34Å; F12-Y39 HydrophobicContact CD2-CD1 3.34Å; F12-Y39 AromaticContact CD2-CE1 3.76Å; F12-Y39 HydrophobicContact CD2-CE1 3.76Å; F12-Y39 HydrophobicContact CD2-CG 4.03Å; F12-Y39 AromaticContact CE2-CD1 3.54Å; F12-Y39 HydrophobicContact CE2-CD1 3.54Å; F12-Y39 HydrophobicContact CE2-CD2 4.49Å; F12-Y39 HydrophobicContact CE2-CE1 4.16Å; F12-Y39 AromaticContact CE2-CG 3.71Å; F12-Y39 HydrophobicContact CE2-CG 3.71Å; F12-Y39 HydrophobicContact CG-CD1 4.27Å; F12-L93 HydrophobicContact CE2-CD2 4.03Å; F12-L93 HydrophobicContact CZ-CD2 3.6Å
13V92.5Very high91.2Very high127 Ų12763.5 Ų63.577%0.7731%0.306SS*.THydrogen-bonded Turntrans-54.5-35.6172168.30000111.9D9D9-V13 WeakPolarHBondContact O-CG2 3.31Å; D9-V13 PolarHBondContact O-N 3.01Å
14N94.1Very high92.3Very high83 Ų8358.9 Ų58.944%0.44429%0.285SS..THydrogen-bonded Turntrans-137.992.3177.7-173.2-25.6000111F12 K16 R17 L18F12-N14 PolarHBondContact O-N 3.34Å; N14-K16 PolarHBondContact O-N 3.47Å; N14-K16 WeakPolarHBondContact OD1-CB 3.27Å; N14-K16 PolarHBondContact OD1-N 3.48Å; N14-R17 HydrophobicContact CB-CB 3.93Å; N14-R17 WeakPolarHBondContact O-CB 3.39Å; N14-R17 PolarHBondContact O-N 2.93Å; N14-R17 VanDerWaalsContact O-N 3.09Å; N14-R17 PolarHBondContact OD1-N 3.07Å; N14-L18 PolarHBondContact O-N 3.18Å
15L95Very high93Very high50 Ų5059 Ų5926%0.26228%0.283SS..Hα-helixtrans-59.3-32.7-179.2-58.4-178.2000113.2F12 L18 R19 V32F12-L15 HydrophobicContact CB-CD2 4.32Å; F12-L15 HydrophobicContact CD1-CD2 3.82Å; L15-L18 PolarHBondContact O-N 3.48Å; L15-R19 WeakPolarHBondContact O-CG 3.23Å; L15-R19 PolarHBondContact O-N 2.85Å; L15-V32 HydrophobicContact CB-CG1 4.11Å; L15-V32 HydrophobicContact CD2-CG1 3.84Å; L15-V32 HydrophobicContact CG-CG1 4.49Å
16K95.6Very high93.6Very high157 Ų15759.4 Ų59.468%0.68330%0.295SS*.Hα-helixtrans-65.3-44.6176.6-174.9179.7178.7-179.10110.6N14 L18 R19 Q20N14-K16 PolarHBondContact O-N 3.47Å; N14-K16 WeakPolarHBondContact OD1-CB 3.27Å; N14-K16 PolarHBondContact OD1-N 3.48Å; K16-L18 VanDerWaalsContact C-N 3.35Å; K16-R19 PolarHBondContact O-N 2.9Å; K16-Q20 PolarHBondContact O-N 3.27Å
17R95.3Very high94Very high134 Ų13459.8 Ų59.851%0.50630%0.297SS..Hα-helixtrans-61.6-42.8175.2-178.9-179.3167.6-168.7-10.2111.3N14 Q20 L21 D99N14-R17 HydrophobicContact CB-CB 3.93Å; N14-R17 WeakPolarHBondContact O-CB 3.39Å; N14-R17 PolarHBondContact O-N 2.93Å; N14-R17 VanDerWaalsContact O-N 3.09Å; N14-R17 PolarHBondContact OD1-N 3.07Å; R17-Q20 PolarHBondContact O-N 2.85Å; R17-L21 WeakPolarHBondContact O-CB 2.92Å; R17-L21 PolarHBondContact O-N 3Å; R17-D99 IonicContact CZ-OD1 3.82Å; R17-D99 IonicContact NE-OD1 3.63Å; R17-D99 IonicContact NH2-OD1 2.77Å; R17-D99 PolarHBondContact NH2-OD1 3.08Å; R17-D99 IonicContact NH2-OD2 3.74Å; R17-D99 PolarHBondContact NH2-OD2 3.35Å
18L95.7Very high94.1Very high4 Ų462 Ų622%0.02131%0.305CS..Hα-helixtrans-62.7-47.2177.4178.557.5000112Y11 F12 N14 L15 K16 Q20 L21 L22 V32Y11-L18 HydrophobicContact CD1-CD1 3.92Å; F12-L18 HydrophobicContact CD1-CD2 4Å; F12-L18 HydrophobicContact CE1-CD2 3.82Å; N14-L18 PolarHBondContact O-N 3.18Å; L15-L18 PolarHBondContact O-N 3.48Å; K16-L18 VanDerWaalsContact C-N 3.35Å; L18-Q20 VanDerWaalsContact C-N 3.28Å; L18-Q20 PolarHBondContact O-N 2.81Å; L18-L21 WeakPolarHBondContact O-CB 3.24Å; L18-L21 PolarHBondContact O-N 2.88Å; L18-L22 HydrophobicContact CD1-CD1 4.16Å; L18-L22 HydrophobicContact CD1-CD2 4.49Å; L18-L22 HydrophobicContact CD1-CG 4.07Å; L18-L22 HydrophobicContact CG-CD1 4.19Å; L18-L22 HydrophobicContact CG-CG 4.49Å; L18-L22 WeakPolarHBondContact O-CG 3.17Å; L18-L22 PolarHBondContact O-N 3.45Å; L18-V32 HydrophobicContact CB-CG1 4.41Å; L18-V32 HydrophobicContact CD2-CG1 3.79Å; L18-V32 HydrophobicContact CD2-CG2 4.18Å; L18-V32 HydrophobicContact CG-CG1 4.19Å; L18-V32 HydrophobicContact CG-CG2 4Å
19R96.6Very high94.1Very high112 Ų11270.7 Ų70.742%0.42335%0.345SS..Hα-helixtrans-57.2-43.3175.3-73.4-174.1-151.5119.63.9111.9L15 K16 L22 S23 V32 N33L15-R19 WeakPolarHBondContact O-CG 3.23Å; L15-R19 PolarHBondContact O-N 2.85Å; K16-R19 PolarHBondContact O-N 2.9Å; R19-L22 PolarHBondContact O-N 3.38Å; R19-S23 PolarHBondContact O-N 3.46Å; R19-V32 HydrophobicContact CB-CG2 4.47Å; R19-V32 HydrophobicContact CG-CB 3.74Å; R19-V32 HydrophobicContact CG-CG1 4.07Å; R19-V32 HydrophobicContact CG-CG2 3.55Å; R19-N33 PolarHBondContact NH2-OD1 2.86Å
20Q96Very high93.9Very high117 Ų11771.6 Ų71.655%0.54735%0.35SS..Hα-helixtrans-65.1-41.9177.6-172172.113.800112K16 R17 L18 L22 S23 N24K16-Q20 PolarHBondContact O-N 3.27Å; R17-Q20 PolarHBondContact O-N 2.85Å; L18-Q20 VanDerWaalsContact C-N 3.28Å; L18-Q20 PolarHBondContact O-N 2.81Å; Q20-L22 VanDerWaalsContact C-N 3.34Å; Q20-L22 PolarHBondContact O-N 3.19Å; Q20-S23 PolarHBondContact O-N 3.45Å; Q20-N24 WeakPolarHBondContact O-CB 3.41Å; Q20-N24 PolarHBondContact O-N 3.22Å; Q20-N24 PolarHBondContact O-OD1 2.9Å
21L96.5Very high94.1Very high11 Ų1171.8 Ų71.86%0.05836%0.357CS..Hα-helixtrans-58.7-47.2174.7174.963.1000111.2Y11 R17 L18 N24 R25 P97 L100Y11-L21 HydrophobicContact CE1-CD2 4.33Å; R17-L21 WeakPolarHBondContact O-CB 2.92Å; R17-L21 PolarHBondContact O-N 3Å; L18-L21 WeakPolarHBondContact O-CB 3.24Å; L18-L21 PolarHBondContact O-N 2.88Å; L21-N24 PolarHBondContact O-N 3.4Å; L21-R25 HydrophobicContact CD1-CG 4.28Å; L21-R25 WeakPolarHBondContact O-CB 3.31Å; L21-R25 WeakPolarHBondContact O-CG 3.11Å; L21-R25 PolarHBondContact O-N 2.93Å; L21-P97 HydrophobicContact CD2-CG 4.41Å; L21-P97 HydrophobicContact CG-CG 4.36Å; L21-L100 HydrophobicContact CD1-CB 4.42Å; L21-L100 HydrophobicContact CD1-CD1 3.88Å; L21-L100 HydrophobicContact CD1-CG 3.69Å
22L96.3Very high94.2Very high3 Ų371.2 Ų71.22%0.01636%0.355CS..Hα-helixtrans-64.3-42.8179.9-66.6177.4000111.6L18 R19 Q20 R25 G26 L27 L30 V32 L96 P97L18-L22 HydrophobicContact CD1-CD1 4.16Å; L18-L22 HydrophobicContact CD1-CD2 4.49Å; L18-L22 HydrophobicContact CD1-CG 4.07Å; L18-L22 HydrophobicContact CG-CD1 4.19Å; L18-L22 HydrophobicContact CG-CG 4.49Å; L18-L22 WeakPolarHBondContact O-CG 3.17Å; L18-L22 PolarHBondContact O-N 3.45Å; R19-L22 PolarHBondContact O-N 3.38Å; Q20-L22 VanDerWaalsContact C-N 3.34Å; Q20-L22 PolarHBondContact O-N 3.19Å; L22-R25 CarbonylContact O-C 3.56Å; L22-R25 PolarHBondContact O-N 3.38Å; L22-R25 VanDerWaalsContact O-N 3.11Å; L22-G26 PolarHBondContact O-N 3Å; L22-G26 VanDerWaalsContact O-N 3.11Å; L22-L27 HydrophobicContact CB-CB 4.31Å; L22-L27 HydrophobicContact CD2-CB 4.18Å; L22-L27 HydrophobicContact CD2-CD1 4.22Å; L22-L27 PolarHBondContact O-N 3Å; L22-L30 HydrophobicContact CD1-CB 4.08Å; L22-L30 HydrophobicContact CD1-CD1 4.42Å; L22-L30 HydrophobicContact CD2-CD1 4.21Å; L22-V32 HydrophobicContact CD1-CG2 3.53Å; L22-L96 HydrophobicContact CD2-CD2 4.09Å; L22-P97 HydrophobicContact CD2-CG 3.84Å
23S96.1Very high94.2Very high48 Ų4874 Ų7434%0.33637%0.371SS..Hα-helixtrans-63-44.7174.5177.30000112.8R19 Q20 R25 G26 E28R19-S23 PolarHBondContact O-N 3.46Å; Q20-S23 PolarHBondContact O-N 3.45Å; S23-R25 PolarHBondContact O-N 3.21Å; S23-R25 VanDerWaalsContact O-N 3.08Å; S23-G26 PolarHBondContact O-N 3.17Å; S23-E28 PolarHBondContact OG-OE1 3.19Å
24N96.3Very high94.3Very high33 Ų3371.8 Ų71.818%0.17636%0.357CS..Hα-helixtrans-60.6-23.9175-68.1-6.1000112.8Q20 L21 L100 V106 S310 K311Q20-N24 WeakPolarHBondContact O-CB 3.41Å; Q20-N24 PolarHBondContact O-N 3.22Å; Q20-N24 PolarHBondContact O-OD1 2.9Å; L21-N24 PolarHBondContact O-N 3.4Å; N24-L100 HydrophobicContact CB-CD1 3.75Å; N24-V106 HydrophobicContact CB-CG1 4.13Å; N24-V106 WeakPolarHBondContact OD1-CG1 2.88Å; N24-S310 VanDerWaalsContact O-CB 3.25Å; N24-S310 WeakPolarHBondContact O-CB 3.3Å; N24-S310 PolarHBondContact O-OG 3.2Å; N24-K311 WeakPolarHBondContact O-CG 3.45Å
25R95.2Very high94.3Very high20 Ų2068.9 Ų68.98%0.07534%0.342CS..THydrogen-bonded Turntrans-92.7-2.2176.4-68.4-73.1-164.7155.66.6113.7L21 L22 S23 L27 P97 N98 S310 L313 A314 E317L21-R25 HydrophobicContact CD1-CG 4.28Å; L21-R25 WeakPolarHBondContact O-CB 3.31Å; L21-R25 WeakPolarHBondContact O-CG 3.11Å; L21-R25 PolarHBondContact O-N 2.93Å; L22-R25 CarbonylContact O-C 3.56Å; L22-R25 PolarHBondContact O-N 3.38Å; L22-R25 VanDerWaalsContact O-N 3.11Å; S23-R25 PolarHBondContact O-N 3.21Å; S23-R25 VanDerWaalsContact O-N 3.08Å; R25-L27 HydrophobicContact CB-CD1 4.21Å; R25-L27 HydrophobicContact CB-CG 4.26Å; R25-P97 HydrophobicContact CB-CG 4.44Å; R25-P97 HydrophobicContact CG-CB 4.07Å; R25-P97 HydrophobicContact CG-CG 3.97Å; R25-N98 PolarHBondContact NH2-O 2.8Å; R25-S310 WeakPolarHBondContact CD-O 3.5Å; R25-L313 PolarHBondContact NH1-O 2.76Å; R25-A314 PolarHBondContact NH1-O 2.73Å; R25-E317 PolarHBondContact NH1-O 2.77Å; R25-E317 PolarHBondContact NH2-O 3.25Å
26G93.8Very high94.3Very high40 Ų4067.1 Ų67.141%0.41233%0.334SS..THydrogen-bonded Turntrans71.829.9-175.500000114.1L22 S23L22-G26 PolarHBondContact O-N 3Å; L22-G26 VanDerWaalsContact O-N 3.11Å; S23-G26 PolarHBondContact O-N 3.17Å
27L92.5Very high94.2Very high55 Ų5562.6 Ų62.629%0.28833%0.326SS..  trans-115.945-178.2-61.5175.6000111.5L22 R25 E29 L30 P97L22-L27 HydrophobicContact CB-CB 4.31Å; L22-L27 HydrophobicContact CD2-CB 4.18Å; L22-L27 HydrophobicContact CD2-CD1 4.22Å; L22-L27 PolarHBondContact O-N 3Å; R25-L27 HydrophobicContact CB-CD1 4.21Å; R25-L27 HydrophobicContact CB-CG 4.26Å; L27-E29 PolarHBondContact O-N 3.23Å; L27-L30 HydrophobicContact CB-CD1 4.24Å; L27-L30 PolarHBondContact O-N 2.87Å; L27-P97 HydrophobicContact CD1-CG 4.11Å
28E89.3Confident94.2Very high126 Ų12657.7 Ų57.759%0.58931%0.312SS*.THydrogen-bonded Turntrans-72.4-19.7-169.5-65.5151161.500113.1S23 L30S23-E28 PolarHBondContact OG-OE1 3.19Å; E28-L30 PolarHBondContact O-N 3.48Å
29E90.1Very high94.2Very high196 Ų19657.7 Ų57.792%0.91631%0.312SS*.THydrogen-bonded Turntrans-70.6-16.9-179.3-56.9-178.4176.900113.2L27 D31L27-E29 PolarHBondContact O-N 3.23Å; E29-D31 PolarHBondContact O-N 3.29Å
30L89.8Confident94.2Very high70 Ų7055.4 Ų55.437%0.36631%0.308SS..SBendtrans-77.8113.4-179.4-71.8172.7000111.5L22 L27 E28 V32 L35 L96L22-L30 HydrophobicContact CD1-CB 4.08Å; L22-L30 HydrophobicContact CD1-CD1 4.42Å; L22-L30 HydrophobicContact CD2-CD1 4.21Å; L27-L30 HydrophobicContact CB-CD1 4.24Å; L27-L30 PolarHBondContact O-N 2.87Å; E28-L30 PolarHBondContact O-N 3.48Å; L30-V32 PolarHBondContact O-N 3.21Å; L30-L35 HydrophobicContact CB-CD1 4.38Å; L30-L96 HydrophobicContact CD1-CD2 4.45Å
31D92.8Very high94.1Very high83 Ų8354 Ų5444%0.44430%0.301SS..  trans-72.698.6174.7-177.2-0.5000112E29 N33 T34 L35E29-D31 PolarHBondContact O-N 3.29Å; D31-N33 VanDerWaalsContact C-N 3.27Å; D31-N33 PolarHBondContact O-N 3.41Å; D31-N33 WeakPolarHBondContact OD1-CB 3.35Å; D31-N33 PolarHBondContact OD1-N 3.02Å; D31-T34 PolarHBondContact O-N 3.12Å; D31-T34 PolarHBondContact OD1-N 2.81Å; D31-T34 WeakPolarHBondContact OD2-CB 3.17Å; D31-T34 PolarHBondContact OD2-OG1 3.49Å; D31-L35 WeakPolarHBondContact O-CG 3.26Å; D31-L35 PolarHBondContact O-N 3.07Å
32V94.2Very high94.1Very high3 Ų354.6 Ų54.62%0.01830%0.303CS..Hα-helixtrans-58.6-34.4177.81710000113.3L15 L18 R19 L22 L30 S36L15-V32 HydrophobicContact CB-CG1 4.11Å; L15-V32 HydrophobicContact CD2-CG1 3.84Å; L15-V32 HydrophobicContact CG-CG1 4.49Å; L18-V32 HydrophobicContact CB-CG1 4.41Å; L18-V32 HydrophobicContact CD2-CG1 3.79Å; L18-V32 HydrophobicContact CD2-CG2 4.18Å; L18-V32 HydrophobicContact CG-CG1 4.19Å; L18-V32 HydrophobicContact CG-CG2 4Å; R19-V32 HydrophobicContact CB-CG2 4.47Å; R19-V32 HydrophobicContact CG-CB 3.74Å; R19-V32 HydrophobicContact CG-CG1 4.07Å; R19-V32 HydrophobicContact CG-CG2 3.55Å; L22-V32 HydrophobicContact CD1-CG2 3.53Å; L30-V32 PolarHBondContact O-N 3.21Å; V32-S36 WeakPolarHBondContact O-CB 3.3Å; V32-S36 PolarHBondContact O-N 3.45Å
33N94.4Very high93.9Very high83 Ų8357.6 Ų57.644%0.44432%0.316SS..Hα-helixtrans-70.3-46.7-178.4-67-36.7000110.6R19 D31 L35 S36 A37R19-N33 PolarHBondContact NH2-OD1 2.86Å; D31-N33 VanDerWaalsContact C-N 3.27Å; D31-N33 PolarHBondContact O-N 3.41Å; D31-N33 WeakPolarHBondContact OD1-CB 3.35Å; D31-N33 PolarHBondContact OD1-N 3.02Å; N33-L35 VanDerWaalsContact C-N 3.34Å; N33-S36 PolarHBondContact O-N 3.36Å; N33-A37 WeakPolarHBondContact O-CB 3.43Å; N33-A37 PolarHBondContact O-N 3.24Å
34T94.2Very high93.9Very high79 Ų7964.4 Ų64.449%0.48533%0.334SS..Hα-helixtrans-62.8-42.6177-64.70000111.1D31 S38D31-T34 PolarHBondContact O-N 3.12Å; D31-T34 PolarHBondContact OD1-N 2.81Å; D31-T34 WeakPolarHBondContact OD2-CB 3.17Å; D31-T34 PolarHBondContact OD2-OG1 3.49Å; T34-S38 VanDerWaalsContact O-CB 3.28Å; T34-S38 WeakPolarHBondContact O-CB 3.46Å; T34-S38 PolarHBondContact O-N 3.41Å; T34-S38 PolarHBondContact O-OG 3.16Å
35L93.8Very high93.8Very high22 Ų2264.1 Ų64.112%0.11533%0.332CS..Hα-helixtrans-59.9-46.7174.7-74.5173.1000112.1F12 L30 D31 N33 S38 Y39 L89 L93F12-L35 HydrophobicContact CE1-CB 4.2Å; F12-L35 HydrophobicContact CZ-CB 4.32Å; L30-L35 HydrophobicContact CB-CD1 4.38Å; D31-L35 WeakPolarHBondContact O-CG 3.26Å; D31-L35 PolarHBondContact O-N 3.07Å; N33-L35 VanDerWaalsContact C-N 3.34Å; L35-S38 PolarHBondContact O-N 3.47Å; L35-Y39 VanDerWaalsContact O-CB 3.3Å; L35-Y39 WeakPolarHBondContact O-CB 3.42Å; L35-Y39 PolarHBondContact O-N 2.82Å; L35-L89 HydrophobicContact CD2-CD1 3.62Å; L35-L93 HydrophobicContact CD2-CD2 4.18Å
36S94.8Very high93.7Very high14 Ų1466 Ų6610%0.09834%0.341CS..Hα-helixtrans-62.6-48.6179.7-170.80000111.9V32 N33 S38 Y39 D40V32-S36 WeakPolarHBondContact O-CB 3.3Å; V32-S36 PolarHBondContact O-N 3.45Å; N33-S36 PolarHBondContact O-N 3.36Å; S36-S38 VanDerWaalsContact C-N 3.33Å; S36-S38 PolarHBondContact O-N 3.26Å; S36-Y39 PolarHBondContact O-N 2.84Å; S36-D40 PolarHBondContact O-N 2.98Å
37A95.2Very high93.6Very high61 Ų6167.8 Ų67.850%0.50434%0.34SS..Hα-helixtrans-62.6-41.9-179.700000111.7N33 D40 Q41N33-A37 WeakPolarHBondContact O-CB 3.43Å; N33-A37 PolarHBondContact O-N 3.24Å; A37-D40 PolarHBondContact O-N 3.43Å; A37-Q41 PolarHBondContact O-N 3.22Å
38S95.3Very high93.7Very high31 Ų3166.5 Ų66.522%0.21734%0.341CS..Hα-helixtrans-67-39.3177.9-54.30000111.6T34 L35 S36 Q41 W42T34-S38 VanDerWaalsContact O-CB 3.28Å; T34-S38 WeakPolarHBondContact O-CB 3.46Å; T34-S38 PolarHBondContact O-N 3.41Å; T34-S38 PolarHBondContact O-OG 3.16Å; L35-S38 PolarHBondContact O-N 3.47Å; S36-S38 VanDerWaalsContact C-N 3.33Å; S36-S38 PolarHBondContact O-N 3.26Å; S38-Q41 PolarHBondContact O-N 3.3Å; S38-W42 WeakPolarHBondContact O-CB 3.29Å; S38-W42 PolarHBondContact O-N 2.93Å
39Y95.5Very high93.9Very high4 Ų460.9 Ų60.92%0.01631%0.314CS..Hα-helixtrans-65.4-41.9175.3175.5-113000112F8 D9 F12 L35 S36 Q41 W42 K43 L93F8-Y39 HydrophobicContact CB-CD2 4.44Å; F8-Y39 HydrophobicContact CB-CE1 4.28Å; F8-Y39 HydrophobicContact CB-CE2 3.95Å; F8-Y39 HydrophobicContact CD2-CD2 4.13Å; F8-Y39 AromaticContact CD2-CE2 3.64Å; F8-Y39 HydrophobicContact CD2-CE2 3.64Å; F8-Y39 HydrophobicContact CG-CE2 4.3Å; F8-Y39 PolarHBondContact N-OH 3.3Å; F8-Y39 VanDerWaalsContact N-OH 3.11Å; D9-Y39 VanDerWaalsContact OD1-CE1 3.24Å; D9-Y39 WeakPolarHBondContact OD1-CE1 3.44Å; D9-Y39 PolarHBondContact OD1-OH 3.17Å; F12-Y39 AromaticContact CD2-CD1 3.34Å; F12-Y39 HydrophobicContact CD2-CD1 3.34Å; F12-Y39 AromaticContact CD2-CE1 3.76Å; F12-Y39 HydrophobicContact CD2-CE1 3.76Å; F12-Y39 HydrophobicContact CD2-CG 4.03Å; F12-Y39 AromaticContact CE2-CD1 3.54Å; F12-Y39 HydrophobicContact CE2-CD1 3.54Å; F12-Y39 HydrophobicContact CE2-CD2 4.49Å; F12-Y39 HydrophobicContact CE2-CE1 4.16Å; F12-Y39 AromaticContact CE2-CG 3.71Å; F12-Y39 HydrophobicContact CE2-CG 3.71Å; F12-Y39 HydrophobicContact CG-CD1 4.27Å; L35-Y39 VanDerWaalsContact O-CB 3.3Å; L35-Y39 WeakPolarHBondContact O-CB 3.42Å; L35-Y39 PolarHBondContact O-N 2.82Å; S36-Y39 PolarHBondContact O-N 2.84Å; Y39-Q41 VanDerWaalsContact C-N 3.32Å; Y39-Q41 PolarHBondContact O-N 2.78Å; Y39-W42 AromaticContact CD2-CE3 3.89Å; Y39-W42 HydrophobicContact CD2-CE3 3.89Å; Y39-W42 HydrophobicContact CD2-CZ3 4.37Å; Y39-W42 AromaticContact CE2-CE3 3.69Å; Y39-W42 HydrophobicContact CE2-CE3 3.69Å; Y39-W42 AromaticContact CE2-CZ3 3.72Å; Y39-W42 HydrophobicContact CE2-CZ3 3.72Å; Y39-W42 PolarHBondContact O-N 3.06Å; Y39-K43 WeakPolarHBondContact O-CB 3.43Å; Y39-K43 PolarHBondContact O-N 3.25Å; Y39-L93 HydrophobicContact CD2-CD1 3.64Å; Y39-L93 HydrophobicContact CE2-CD1 4.47Å; Y39-L93 HydrophobicContact CG-CD1 4.14Å
40D95Very high94Very high65 Ų6556.1 Ų56.135%0.34829%0.292SS..Hα-helixtrans-61.4-41.3174.8-79.3-24.1000111.8S36 A37 K43 R44S36-D40 PolarHBondContact O-N 2.98Å; A37-D40 PolarHBondContact O-N 3.43Å; D40-K43 PolarHBondContact O-N 2.77Å; D40-R44 WeakPolarHBondContact O-CG 3.43Å; D40-R44 PolarHBondContact O-N 3.32Å
41Q95.1Very high94.1Very high87 Ų8759.1 Ų59.141%0.40730%0.302SS..Hα-helixtrans-63.1-47.2175.5-173.7177.91.300111.3A37 S38 Y39 K43 R44 L45 F86A37-Q41 PolarHBondContact O-N 3.22Å; S38-Q41 PolarHBondContact O-N 3.3Å; Y39-Q41 VanDerWaalsContact C-N 3.32Å; Y39-Q41 PolarHBondContact O-N 2.78Å; Q41-K43 VanDerWaalsContact C-N 3.33Å; Q41-K43 PolarHBondContact O-N 3.19Å; Q41-R44 PolarHBondContact O-N 2.95Å; Q41-L45 HydrophobicContact CG-CD1 4.18Å; Q41-L45 PolarHBondContact O-N 2.83Å; Q41-F86 HydrophobicContact CB-CE1 4.44Å; Q41-F86 HydrophobicContact CB-CZ 4.28Å; Q41-F86 HydrophobicContact CG-CE1 4.48Å; Q41-F86 HydrophobicContact CG-CZ 3.85Å
42W95.3Very high94Very high24 Ų2457.4 Ų57.49%0.09129%0.293CS..Hα-helixtrans-57.3-46174.9174.385000111.6L6 S38 Y39 R44 L45 K46 L83 F86 L89 I90L6-W42 HydrophobicContact CB-CH2 3.91Å; L6-W42 HydrophobicContact CD1-CH2 4.19Å; L6-W42 HydrophobicContact CD1-CZ2 4.11Å; S38-W42 WeakPolarHBondContact O-CB 3.29Å; S38-W42 PolarHBondContact O-N 2.93Å; Y39-W42 AromaticContact CD2-CE3 3.89Å; Y39-W42 HydrophobicContact CD2-CE3 3.89Å; Y39-W42 HydrophobicContact CD2-CZ3 4.37Å; Y39-W42 AromaticContact CE2-CE3 3.69Å; Y39-W42 HydrophobicContact CE2-CE3 3.69Å; Y39-W42 AromaticContact CE2-CZ3 3.72Å; Y39-W42 HydrophobicContact CE2-CZ3 3.72Å; Y39-W42 PolarHBondContact O-N 3.06Å; W42-R44 PolarHBondContact O-N 3.15Å; W42-L45 WeakPolarHBondContact O-CB 3.38Å; W42-L45 PolarHBondContact O-N 2.91Å; W42-K46 HydrophobicContact CH2-CG 4.34Å; W42-K46 HydrophobicContact CZ2-CD 4.36Å; W42-K46 HydrophobicContact CZ2-CG 4.31Å; W42-K46 WeakPolarHBondContact O-CB 3.38Å; W42-K46 PolarHBondContact O-N 3.15Å; W42-L83 HydrophobicContact CG-CD2 4.44Å; W42-F86 HydrophobicContact CB-CB 4.5Å; W42-F86 HydrophobicContact CB-CD1 4Å; W42-F86 HydrophobicContact CB-CE1 4.37Å; W42-F86 HydrophobicContact CB-CG 4.11Å; W42-F86 AromaticContact CD1-CG 3.89Å; W42-F86 HydrophobicContact CG-CB 4.34Å; W42-F86 HydrophobicContact CG-CG 4.41Å; W42-L89 HydrophobicContact CB-CD2 4.46Å; W42-I90 HydrophobicContact CD2-CD1 3.91Å; W42-I90 HydrophobicContact CE3-CD1 4.35Å; W42-I90 HydrophobicContact CG-CD1 4.34Å; W42-I90 HydrophobicContact CH2-CD1 4.35Å; W42-I90 HydrophobicContact CZ2-CD1 3.88Å
43K94.1Very high93.8Very high65 Ų6560.5 Ų60.528%0.28331%0.306SS..Hα-helixtrans-61.6-44.9-179.9-173.5176.9-174.7172.50111.9D9 Y39 D40 Q41 L45 K46 I47D9-K43 IonicContact OD1-NZ 2.76Å; D9-K43 PolarHBondContact OD1-NZ 3.49Å; D9-K43 IonicContact OD2-NZ 3.85Å; D9-K43 PolarHBondContact OD2-NZ 2.94Å; Y39-K43 WeakPolarHBondContact O-CB 3.43Å; Y39-K43 PolarHBondContact O-N 3.25Å; D40-K43 PolarHBondContact O-N 2.77Å; Q41-K43 VanDerWaalsContact C-N 3.33Å; Q41-K43 PolarHBondContact O-N 3.19Å; K43-L45 PolarHBondContact O-N 2.95Å; K43-K46 PolarHBondContact O-N 3.41Å; K43-I47 HydrophobicContact CG-CD1 4.17Å; K43-I47 WeakPolarHBondContact O-CG1 3.42Å; K43-I47 PolarHBondContact O-N 3.21Å
44R94.7Very high93.6Very high191 Ų19161.4 Ų61.472%0.72131%0.308SS*.Hα-helixtrans-60.8-44.3175.3-70.9175.8-164.8173.66.5111.7D40 Q41 W42 K46 G48D40-R44 WeakPolarHBondContact O-CG 3.43Å; D40-R44 PolarHBondContact O-N 3.32Å; Q41-R44 PolarHBondContact O-N 2.95Å; W42-R44 PolarHBondContact O-N 3.15Å; R44-K46 VanDerWaalsContact C-N 3.32Å; R44-K46 PolarHBondContact O-N 2.87Å; R44-G48 PolarHBondContact O-N 3.21Å
45L94.3Very high93.3Very high28 Ų2860.8 Ų60.815%0.14730%0.304CS..Hα-helixtrans-61.3-40.2174.5-91.8150.6000111.9Q41 W42 K43 G48 E49 R82 L83 F86Q41-L45 HydrophobicContact CG-CD1 4.18Å; Q41-L45 PolarHBondContact O-N 2.83Å; W42-L45 WeakPolarHBondContact O-CB 3.38Å; W42-L45 PolarHBondContact O-N 2.91Å; K43-L45 PolarHBondContact O-N 2.95Å; L45-G48 PolarHBondContact O-N 3.33Å; L45-E49 PolarHBondContact O-N 2.87Å; L45-R82 HydrophobicContact CD2-CB 4.11Å; L45-L83 HydrophobicContact CB-CD2 3.94Å; L45-L83 HydrophobicContact CB-CG 4.47Å; L45-F86 HydrophobicContact CD1-CE2 3.74Å; L45-F86 HydrophobicContact CD1-CZ 4.28Å
46K93.1Very high92.9Very high60 Ų6060.6 Ų60.626%0.26131%0.305SS..Hα-helixtrans-66.8-45.9-179.7-170.664.1-178.7173.10112.4W42 K43 R44 G48 E49 E50 L83W42-K46 HydrophobicContact CH2-CG 4.34Å; W42-K46 HydrophobicContact CZ2-CD 4.36Å; W42-K46 HydrophobicContact CZ2-CG 4.31Å; W42-K46 WeakPolarHBondContact O-CB 3.38Å; W42-K46 PolarHBondContact O-N 3.15Å; K43-K46 PolarHBondContact O-N 3.41Å; R44-K46 VanDerWaalsContact C-N 3.32Å; R44-K46 PolarHBondContact O-N 2.87Å; K46-G48 VanDerWaalsContact C-N 3.26Å; K46-G48 PolarHBondContact O-N 3.15Å; K46-E49 IonicContact NZ-OE2 3.23Å; K46-E49 PolarHBondContact NZ-OE2 2.8Å; K46-E49 WeakPolarHBondContact O-CB 3.44Å; K46-E49 PolarHBondContact O-N 2.93Å; K46-E49 VanDerWaalsContact O-N 3.15Å; K46-E50 PolarHBondContact O-N 3.04Å; K46-L83 HydrophobicContact CB-CD2 4.38Å; K46-L83 HydrophobicContact CD-CD1 4.14Å; K46-L83 HydrophobicContact CD-CD2 4.43Å
47I92.9Very high92.5Very high76 Ų7666.2 Ų66.239%0.3933%0.33SS..Hα-helixtrans-60-40.6172.8-66.8166.3000110.3K43 E50 K51K43-I47 HydrophobicContact CG-CD1 4.17Å; K43-I47 WeakPolarHBondContact O-CG1 3.42Å; K43-I47 PolarHBondContact O-N 3.21Å; I47-E50 PolarHBondContact O-N 2.95Å; I47-K51 HydrophobicContact CG2-CD 4.28Å; I47-K51 WeakPolarHBondContact O-CG 3.13Å; I47-K51 PolarHBondContact O-N 3.29Å
48G93.5Very high92.1Very high29 Ų2971.4 Ų71.430%0.29934%0.336SS..Hα-helixtrans-60.7-43.6173.900000112.9R44 L45 K46 K51 L52R44-G48 PolarHBondContact O-N 3.21Å; L45-G48 PolarHBondContact O-N 3.33Å; K46-G48 VanDerWaalsContact C-N 3.26Å; K46-G48 PolarHBondContact O-N 3.15Å; G48-K51 PolarHBondContact O-N 3.47Å; G48-L52 WeakPolarHBondContact O-CG 3.48Å; G48-L52 PolarHBondContact O-N 2.98Å
49E93.7Very high91.6Very high7 Ų771.5 Ų71.53%0.03333%0.334CS..Hα-helixtrans-60.1-44.8175.2-167-144.2171.900111.5L45 K46 L52 K53 R80 L83L45-E49 PolarHBondContact O-N 2.87Å; K46-E49 IonicContact NZ-OE2 3.23Å; K46-E49 PolarHBondContact NZ-OE2 2.8Å; K46-E49 WeakPolarHBondContact O-CB 3.44Å; K46-E49 PolarHBondContact O-N 2.93Å; K46-E49 VanDerWaalsContact O-N 3.15Å; E49-L52 PolarHBondContact O-N 3.43Å; E49-K53 WeakPolarHBondContact O-CG 3.33Å; E49-K53 PolarHBondContact O-N 2.97Å; E49-K53 WeakPolarHBondContact OE1-CE 3.35Å; E49-K53 IonicContact OE1-NZ 2.81Å; E49-K53 PolarHBondContact OE1-NZ 2.85Å; E49-K53 IonicContact OE2-NZ 2.8Å; E49-R80 HydrophobicContact CG-CG 4.37Å; E49-R80 IonicContact OE1-NE 3.3Å; E49-R80 PolarHBondContact OE1-NE 2.72Å; E49-L83 HydrophobicContact CB-CD1 3.99Å; E49-L83 HydrophobicContact CG-CD1 4.09Å
50E92.4Very high91Very high96 Ų9676.3 Ų76.345%0.44936%0.36SS..Hα-helixtrans-64.6-45.2179.4-73.6172.317900111.8K46 I47 L52 K53 E54K46-E50 PolarHBondContact O-N 3.04Å; I47-E50 PolarHBondContact O-N 2.95Å; E50-L52 VanDerWaalsContact C-N 3.31Å; E50-L52 PolarHBondContact O-N 2.88Å; E50-K53 WeakPolarHBondContact O-CB 3.3Å; E50-K53 PolarHBondContact O-N 3.4Å; E50-K53 VanDerWaalsContact O-N 3.11Å; E50-E54 PolarHBondContact O-N 3.21Å
51K92.5Very high90.3Very high134 Ų13478 Ų7858%0.58338%0.377SS*.Hα-helixtrans-60.2-39.6174.1-72178.1179.5-176.20112.6I47 G48 T55I47-K51 HydrophobicContact CG2-CD 4.28Å; I47-K51 WeakPolarHBondContact O-CG 3.13Å; I47-K51 PolarHBondContact O-N 3.29Å; G48-K51 PolarHBondContact O-N 3.47Å; K51-T55 WeakPolarHBondContact O-CB 3.43Å; K51-T55 PolarHBondContact O-N 3.24Å; K51-T55 PolarHBondContact O-OG1 3.42Å
52L90.2Very high89.4Confident47 Ų4776.5 Ų76.525%0.24638%0.376CS..Hα-helixtrans-66.6-36.9175.4-73.7169.8000111.8G48 E49 E50 T55 A56 H75 L76 A79G48-L52 WeakPolarHBondContact O-CG 3.48Å; G48-L52 PolarHBondContact O-N 2.98Å; E49-L52 PolarHBondContact O-N 3.43Å; E50-L52 VanDerWaalsContact C-N 3.31Å; E50-L52 PolarHBondContact O-N 2.88Å; L52-T55 PolarHBondContact O-N 3.09Å; L52-A56 WeakPolarHBondContact O-CB 3.34Å; L52-A56 PolarHBondContact O-N 2.88Å; L52-H75 HydrophobicContact CD1-CB 4.13Å; L52-H75 HydrophobicContact CD2-CB 4.31Å; L52-L76 HydrophobicContact CB-CD1 3.97Å; L52-A79 HydrophobicContact CD1-CB 4.47Å
53K89.7Confident88Confident68 Ų6881 Ų8130%0.29642%0.419SS..Hα-helixtrans-62.3-51.2173.1-75.7179.8-178.4156.70111.8E49 E50 T55 A56 E57 L76E49-K53 WeakPolarHBondContact O-CG 3.33Å; E49-K53 PolarHBondContact O-N 2.97Å; E49-K53 WeakPolarHBondContact OE1-CE 3.35Å; E49-K53 IonicContact OE1-NZ 2.81Å; E49-K53 PolarHBondContact OE1-NZ 2.85Å; E49-K53 IonicContact OE2-NZ 2.8Å; E50-K53 WeakPolarHBondContact O-CB 3.3Å; E50-K53 PolarHBondContact O-N 3.4Å; E50-K53 VanDerWaalsContact O-N 3.11Å; K53-T55 VanDerWaalsContact C-N 3.26Å; K53-T55 PolarHBondContact O-N 3.36Å; K53-A56 PolarHBondContact O-N 3Å; K53-A56 VanDerWaalsContact O-N 3.15Å; K53-E57 WeakPolarHBondContact O-CG 3.34Å; K53-E57 PolarHBondContact O-N 3.2Å; K53-L76 HydrophobicContact CB-CD1 4.35Å; K53-L76 HydrophobicContact CG-CD1 3.55Å
54E90.1Very high86.9Confident102 Ų10280 Ų8048%0.47742%0.418SS..Hα-helixtrans-59.2-40.6178.7-71.2-179.9-174.700111.4E50 E57 R58E50-E54 PolarHBondContact O-N 3.21Å; E54-E57 PolarHBondContact O-N 3.18Å; E54-R58 WeakPolarHBondContact O-CG 3.3Å; E54-R58 PolarHBondContact O-N 2.88Å
55T88.4Confident86Confident65 Ų6574.7 Ų74.740%0.39941%0.408SS..Hα-helixtrans-64.8-43.8176.7-54.30000111.2K51 L52 K53 E57 R58 L59K51-T55 WeakPolarHBondContact O-CB 3.43Å; K51-T55 PolarHBondContact O-N 3.24Å; K51-T55 PolarHBondContact O-OG1 3.42Å; L52-T55 PolarHBondContact O-N 3.09Å; K53-T55 VanDerWaalsContact C-N 3.26Å; K53-T55 PolarHBondContact O-N 3.36Å; T55-E57 PolarHBondContact O-N 2.9Å; T55-R58 PolarHBondContact O-N 3.08Å; T55-L59 HydrophobicContact CG2-CD1 4.09Å; T55-L59 HydrophobicContact CG2-CG 4.38Å; T55-L59 WeakPolarHBondContact O-CB 3.02Å; T55-L59 VanDerWaalsContact O-CG 3.31Å; T55-L59 WeakPolarHBondContact O-CG 3.4Å; T55-L59 PolarHBondContact O-N 3.4Å
56A85.2Confident85.3Confident18 Ų1881.4 Ų81.415%0.14944%0.439CS..Hα-helixtrans-62.5-40.8177.300000112.3L52 K53 L59 L60L52-A56 WeakPolarHBondContact O-CB 3.34Å; L52-A56 PolarHBondContact O-N 2.88Å; K53-A56 PolarHBondContact O-N 3Å; K53-A56 VanDerWaalsContact O-N 3.15Å; A56-L59 PolarHBondContact O-N 3.03Å; A56-L60 WeakPolarHBondContact O-CB 3.27Å; A56-L60 WeakPolarHBondContact O-CD1 3.46Å; A56-L60 VanDerWaalsContact O-CG 3.31Å; A56-L60 WeakPolarHBondContact O-CG 3.32Å; A56-L60 PolarHBondContact O-N 3Å
57E86.7Confident84.6Confident133 Ų13386.2 Ų86.262%0.62146%0.462SS*.Hα-helixtrans-64.8-39.7175.5-72.4176-175.900112K53 E54 T55 L60 S61K53-E57 WeakPolarHBondContact O-CG 3.34Å; K53-E57 PolarHBondContact O-N 3.2Å; E54-E57 PolarHBondContact O-N 3.18Å; T55-E57 PolarHBondContact O-N 2.9Å; E57-L60 PolarHBondContact O-N 2.99Å; E57-S61 PolarHBondContact O-N 2.81Å; E57-S61 PolarHBondContact O-OG 3.18Å
58R86.3Confident84.1Confident169 Ų16986.5 Ų86.564%0.63846%0.464SS*.Hα-helixtrans-66.6-39.9173.9-72.3-180-169171.47.7112.9E54 T55 S61 S62E54-R58 WeakPolarHBondContact O-CG 3.3Å; E54-R58 PolarHBondContact O-N 2.88Å; T55-R58 PolarHBondContact O-N 3.08Å; R58-S61 WeakPolarHBondContact CA-OG 3.3Å; R58-S61 PolarHBondContact O-N 3.29Å; R58-S61 PolarHBondContact O-OG 3.34Å; R58-S62 PolarHBondContact O-N 3.35Å; R58-S62 PolarHBondContact O-OG 3.3Å
59L85.9Confident83.5Confident33 Ų3386.4 Ų86.417%0.17346%0.457CS..Hα-helixtrans-66.7-37.9176.1-71.1172.6000111.6T55 A56 S61 S62 T64 I69 C72T55-L59 HydrophobicContact CG2-CD1 4.09Å; T55-L59 HydrophobicContact CG2-CG 4.38Å; T55-L59 WeakPolarHBondContact O-CB 3.02Å; T55-L59 VanDerWaalsContact O-CG 3.31Å; T55-L59 WeakPolarHBondContact O-CG 3.4Å; T55-L59 PolarHBondContact O-N 3.4Å; A56-L59 PolarHBondContact O-N 3.03Å; L59-S61 VanDerWaalsContact C-N 3.27Å; L59-S61 PolarHBondContact O-N 3.44Å; L59-S62 PolarHBondContact O-N 2.93Å; L59-S62 PolarHBondContact O-OG 2.86Å; L59-T64 HydrophobicContact CD2-CG2 3.91Å; L59-T64 PolarHBondContact O-OG1 3.01Å; L59-I69 HydrophobicContact CB-CG1 4.13Å; L59-C72 HydrophobicContact CD1-CB 4.27Å
60L81.1Confident83.1Confident106 Ų10691.4 Ų91.456%0.55548%0.48SS*.Hα-helixtrans-66.9-27.2176.2-77.8161.3000113.6A56 E57 I69A56-L60 WeakPolarHBondContact O-CB 3.27Å; A56-L60 WeakPolarHBondContact O-CD1 3.46Å; A56-L60 VanDerWaalsContact O-CG 3.31Å; A56-L60 WeakPolarHBondContact O-CG 3.32Å; A56-L60 PolarHBondContact O-N 3Å; E57-L60 PolarHBondContact O-N 2.99Å; L60-I69 HydrophobicContact CD2-CD1 4.4Å; L60-I69 HydrophobicContact CD2-CG2 4.36Å
61S81.2Confident83Confident100 Ų10091 Ų9170%0.69948%0.481SS*.Hα-helixtrans-90.6-7.9179.243.90000113.7E57 R58 L59E57-S61 PolarHBondContact O-N 2.81Å; E57-S61 PolarHBondContact O-OG 3.18Å; R58-S61 WeakPolarHBondContact CA-OG 3.3Å; R58-S61 PolarHBondContact O-N 3.29Å; R58-S61 PolarHBondContact O-OG 3.34Å; L59-S61 VanDerWaalsContact C-N 3.27Å; L59-S61 PolarHBondContact O-N 3.44Å
62S75.1Confident82.7Confident56 Ų5685.2 Ų85.239%0.39246%0.457SS..THydrogen-bonded Turntrans-112.3145.5174.848.30000109.7R58 L59 T64R58-S62 PolarHBondContact O-N 3.35Å; R58-S62 PolarHBondContact O-OG 3.3Å; L59-S62 PolarHBondContact O-N 2.93Å; L59-S62 PolarHBondContact O-OG 2.86Å; S62-T64 PolarHBondContact O-N 3.43Å; S62-T64 PolarHBondContact O-OG1 3.06Å; S62-T64 WeakPolarHBondContact OG-CG2 3.4Å
63A67.6Low82.6Confident119 Ų11989.1 Ų89.198%0.98347%0.469SS*.THydrogen-bonded Turntrans-71.863.7176.300000110.8
64T70.1Confident82.7Confident44 Ų4488 Ų8827%0.2747%0.469SS..  trans-95.3154.7-178.947.70000111.2L59 S62L59-T64 HydrophobicContact CD2-CG2 3.91Å; L59-T64 PolarHBondContact O-OG1 3.01Å; S62-T64 PolarHBondContact O-N 3.43Å; S62-T64 PolarHBondContact O-OG1 3.06Å; S62-T64 WeakPolarHBondContact OG-CG2 3.4Å
65P75.6Confident82.7Confident79 Ų7987.2 Ų87.251%0.51347%0.465SS..  trans-59.4137.5-177.5-19.629.4000112.2E67 N68P65-E67 PolarHBondContact O-N 3.46Å; P65-E67 VanDerWaalsContact O-N 3.11Å; P65-N68 PolarHBondContact O-N 2.96Å
66E79.9Confident82.8Confident169 Ų16985.1 Ų85.179%0.7945%0.452SS*.Hα-helixtrans-54-33-179.7-72174.8152.600112.9N68 I69 E70E66-N68 VanDerWaalsContact C-N 3.31Å; E66-N68 PolarHBondContact O-N 3.19Å; E66-I69 WeakPolarHBondContact O-CB 3.48Å; E66-I69 PolarHBondContact O-N 3.22Å; E66-I69 VanDerWaalsContact O-N 3.16Å; E66-E70 PolarHBondContact O-N 2.08Å
67E78.6Confident83.1Confident160 Ų16090.7 Ų90.775%0.74848%0.475SS*.Hα-helixtrans-60.4-37178.4-166175-172.400112.8P65 E70 N71P65-E67 PolarHBondContact O-N 3.46Å; P65-E67 VanDerWaalsContact O-N 3.11Å; E67-E70 PolarHBondContact O-N 3.28Å; E67-N71 WeakPolarHBondContact O-CB 3.23Å; E67-N71 PolarHBondContact O-N 2.81Å
68N81.7Confident83.4Confident83 Ų8390.4 Ų90.444%0.44447%0.471SS..Hα-helixtrans-70.6-35.9177.4-74.8-28.2000111.9P65 E66 C72P65-N68 PolarHBondContact O-N 2.96Å; E66-N68 VanDerWaalsContact C-N 3.31Å; E66-N68 PolarHBondContact O-N 3.19Å; N68-C72 WeakPolarHBondContact O-CB 3.44Å; N68-C72 PolarHBondContact O-N 3.07Å; N68-C72 VanDerWaalsContact O-N 3.09Å
69I81.9Confident83.7Confident26 Ų2682.9 Ų82.913%0.13345%0.446CS..Hα-helixtrans-65.9-45.6176.3-61.9174000109.5L59 L60 E66 C72 R73L59-I69 HydrophobicContact CB-CG1 4.13Å; L60-I69 HydrophobicContact CD2-CD1 4.4Å; L60-I69 HydrophobicContact CD2-CG2 4.36Å; E66-I69 WeakPolarHBondContact O-CB 3.48Å; E66-I69 PolarHBondContact O-N 3.22Å; E66-I69 VanDerWaalsContact O-N 3.16Å; I69-C72 PolarHBondContact O-N 2.67Å; I69-R73 WeakPolarHBondContact O-CG 3.45Å; I69-R73 PolarHBondContact O-N 3.2Å
70E85.7Confident84Confident112 Ų11286.8 Ų86.852%0.52346%0.458SS..Hα-helixtrans-67.2-40.6-178.1-16058.4-151.200112E66 E67 C72 R73 S74E66-E70 PolarHBondContact O-N 2.08Å; E67-E70 PolarHBondContact O-N 3.28Å; E70-C72 VanDerWaalsContact C-N 3.32Å; E70-C72 PolarHBondContact O-N 3.42Å; E70-R73 PolarHBondContact O-N 2.79Å; E70-R73 IonicContact OE2-NH1 2.82Å; E70-R73 PolarHBondContact OE2-NH1 2.81Å; E70-S74 PolarHBondContact O-N 2.87Å
71N88.8Confident84.6Confident89 Ų8988.3 Ų88.348%0.47646%0.46SS..Hα-helixtrans-63.9-39.1175.4-153.24.3000111.6E67 S74 H75E67-N71 WeakPolarHBondContact O-CB 3.23Å; E67-N71 PolarHBondContact O-N 2.81Å; N71-S74 PolarHBondContact O-N 3.45Å; N71-H75 PolarHBondContact O-N 2.9Å; N71-H75 PolarHBondContact O-ND1 3.1Å; N71-H75 PolarHBondContact OD1-CE1 2.87Å
72C87.4Confident85.1Confident11 Ų1189.3 Ų89.37%0.07445%0.449CS..Hα-helixtrans-64.3-43.2174.9-151.30000111.7L59 N68 I69 E70 S74 H75 L76L59-C72 HydrophobicContact CD1-CB 4.27Å; N68-C72 WeakPolarHBondContact O-CB 3.44Å; N68-C72 PolarHBondContact O-N 3.07Å; N68-C72 VanDerWaalsContact O-N 3.09Å; I69-C72 PolarHBondContact O-N 2.67Å; E70-C72 VanDerWaalsContact C-N 3.32Å; E70-C72 PolarHBondContact O-N 3.42Å; C72-S74 PolarHBondContact O-N 2.75Å; C72-H75 PolarHBondContact O-N 2.79Å; C72-L76 WeakPolarHBondContact O-CB 3.33Å; C72-L76 PolarHBondContact O-N 2.83Å
73R87.4Confident85.9Confident129 Ų12987.4 Ų87.449%0.48743%0.434SS..Hα-helixtrans-60.5-43.8174.7-75175.5177.1167.7-0.8112.3I69 E70 L76 Q77I69-R73 WeakPolarHBondContact O-CG 3.45Å; I69-R73 PolarHBondContact O-N 3.2Å; E70-R73 PolarHBondContact O-N 2.79Å; E70-R73 IonicContact OE2-NH1 2.82Å; E70-R73 PolarHBondContact OE2-NH1 2.81Å; R73-L76 WeakPolarHBondContact O-CB 3.29Å; R73-L76 PolarHBondContact O-N 3.37Å; R73-Q77 PolarHBondContact O-N 2.88Å
74S91Very high87.1Confident44 Ų4489.1 Ų89.131%0.30842%0.415SS..Hα-helixtrans-60.7-46.5176.7-177.90000111.8E70 N71 C72 L76 Q77 K78E70-S74 PolarHBondContact O-N 2.87Å; N71-S74 PolarHBondContact O-N 3.45Å; C72-S74 PolarHBondContact O-N 2.75Å; S74-L76 VanDerWaalsContact C-N 3.34Å; S74-L76 PolarHBondContact O-N 2.76Å; S74-Q77 PolarHBondContact O-N 3.22Å; S74-K78 WeakPolarHBondContact O-CG 3.05Å; S74-K78 PolarHBondContact O-N 3.43Å
75H91.2Very high88.2Confident86 Ų8693.1 Ų93.140%0.39843%0.43SS..Hα-helixtrans-61.8-40.8174.9-72.3138.2000112.6L52 N71 C72 Q77 K78 A79L52-H75 HydrophobicContact CD1-CB 4.13Å; L52-H75 HydrophobicContact CD2-CB 4.31Å; N71-H75 PolarHBondContact O-N 2.9Å; N71-H75 PolarHBondContact O-ND1 3.1Å; N71-H75 PolarHBondContact OD1-CE1 2.87Å; C72-H75 PolarHBondContact O-N 2.79Å; H75-Q77 PolarHBondContact O-N 3.29Å; H75-K78 PolarHBondContact O-N 3.41Å; H75-A79 WeakPolarHBondContact O-CB 3.5Å; H75-A79 PolarHBondContact O-N 3.48Å
76L90.4Very high89Confident21 Ų2190.4 Ų90.411%0.1141%0.411CS..Hα-helixtrans-63.2-41.5176.7-166.6117.7000112.1L52 K53 C72 R73 S74 A79 R80L52-L76 HydrophobicContact CB-CD1 3.97Å; K53-L76 HydrophobicContact CB-CD1 4.35Å; K53-L76 HydrophobicContact CG-CD1 3.55Å; C72-L76 WeakPolarHBondContact O-CB 3.33Å; C72-L76 PolarHBondContact O-N 2.83Å; R73-L76 WeakPolarHBondContact O-CB 3.29Å; R73-L76 PolarHBondContact O-N 3.37Å; S74-L76 VanDerWaalsContact C-N 3.34Å; S74-L76 PolarHBondContact O-N 2.76Å; L76-A79 PolarHBondContact O-N 3.5Å; L76-R80 WeakPolarHBondContact O-CB 3.46Å; L76-R80 WeakPolarHBondContact O-CG 3.26Å; L76-R80 PolarHBondContact O-N 3.01Å
77Q92.5Very high89.4Confident136 Ų13686.1 Ų86.164%0.63639%0.393SS*.Hα-helixtrans-66.1-41.4176.5-168.1177.411.600111.7R73 S74 H75 R80 K81R73-Q77 PolarHBondContact O-N 2.88Å; S74-Q77 PolarHBondContact O-N 3.22Å; H75-Q77 PolarHBondContact O-N 3.29Å; Q77-R80 PolarHBondContact O-N 2.93Å; Q77-K81 PolarHBondContact O-N 3.31Å
78K92.6Very high89.9Confident126 Ų12683.9 Ų83.955%0.54839%0.386SS..Hα-helixtrans-61.3-46173.4-72.4175.4-175.7174.60111.5S74 H75 R80 K81 R82S74-K78 WeakPolarHBondContact O-CG 3.05Å; S74-K78 PolarHBondContact O-N 3.43Å; H75-K78 PolarHBondContact O-N 3.41Å; K78-R80 PolarHBondContact O-N 3.43Å; K78-K81 PolarHBondContact O-N 3.03Å; K78-R82 PolarHBondContact O-N 3.25Å
79A91.8Very high90.4Very high12 Ų1281 Ų8110%0.09937%0.371CS..Hα-helixtrans-60.2-45.2177.200000111.7L52 H75 L76 K81 R82 L83L52-A79 HydrophobicContact CD1-CB 4.47Å; H75-A79 WeakPolarHBondContact O-CB 3.5Å; H75-A79 PolarHBondContact O-N 3.48Å; L76-A79 PolarHBondContact O-N 3.5Å; A79-K81 PolarHBondContact O-N 2.79Å; A79-R82 PolarHBondContact O-N 2.92Å; A79-L83 WeakPolarHBondContact O-CG 3.5Å; A79-L83 PolarHBondContact O-N 2.85Å
80R92.1Very high90.8Very high115 Ų11580.7 Ų80.743%0.43437%0.369SS..Hα-helixtrans-63-37.6175-74.9175.2173.8173.9-1.5113.2E49 L76 Q77 K78 L83 R84E49-R80 HydrophobicContact CG-CG 4.37Å; E49-R80 IonicContact OE1-NE 3.3Å; E49-R80 PolarHBondContact OE1-NE 2.72Å; L76-R80 WeakPolarHBondContact O-CB 3.46Å; L76-R80 WeakPolarHBondContact O-CG 3.26Å; L76-R80 PolarHBondContact O-N 3.01Å; Q77-R80 PolarHBondContact O-N 2.93Å; K78-R80 PolarHBondContact O-N 3.43Å; R80-L83 PolarHBondContact O-N 3.14Å; R80-R84 PolarHBondContact O-N 2.75Å
81K93.4Very high90.9Very high138 Ų13881 Ų8160%0.637%0.369SS*.Hα-helixtrans-62.6-47.1174.7-171.9179.7177.1-1770110.6Q77 K78 A79 L83 R84Q77-K81 PolarHBondContact O-N 3.31Å; K78-K81 PolarHBondContact O-N 3.03Å; A79-K81 PolarHBondContact O-N 2.79Å; K81-L83 PolarHBondContact O-N 2.98Å; K81-R84 WeakPolarHBondContact O-CB 3.33Å; K81-R84 PolarHBondContact O-N 3.37Å
82R92.6Very high90.9Very high121 Ų12178.7 Ų78.746%0.45736%0.362SS..Hα-helixtrans-64-37.8176.1-68.1-171.677.5-178.36.8112.8L45 K78 A79 R84 E85 F86L45-R82 HydrophobicContact CD2-CB 4.11Å; K78-R82 PolarHBondContact O-N 3.25Å; A79-R82 PolarHBondContact O-N 2.92Å; R82-R84 PolarHBondContact O-N 3.07Å; R82-E85 VanDerWaalsContact O-CB 3.25Å; R82-E85 WeakPolarHBondContact O-CB 3.46Å; R82-E85 PolarHBondContact O-N 2.64Å; R82-F86 VanDerWaalsContact O-CD2 3.32Å; R82-F86 WeakPolarHBondContact O-CD2 3.42Å
83L91.9Very high91.1Very high15 Ų1578.3 Ų78.38%0.07936%0.359CS..Hα-helixtrans-61.1-33.8176-78.6169.1000112.6W42 L45 K46 E49 A79 R80 K81 E85 F86W42-L83 HydrophobicContact CG-CD2 4.44Å; L45-L83 HydrophobicContact CB-CD2 3.94Å; L45-L83 HydrophobicContact CB-CG 4.47Å; K46-L83 HydrophobicContact CB-CD2 4.38Å; K46-L83 HydrophobicContact CD-CD1 4.14Å; K46-L83 HydrophobicContact CD-CD2 4.43Å; E49-L83 HydrophobicContact CB-CD1 3.99Å; E49-L83 HydrophobicContact CG-CD1 4.09Å; A79-L83 WeakPolarHBondContact O-CG 3.5Å; A79-L83 PolarHBondContact O-N 2.85Å; R80-L83 PolarHBondContact O-N 3.14Å; K81-L83 PolarHBondContact O-N 2.98Å; L83-E85 PolarHBondContact O-N 3.07Å; L83-F86 WeakPolarHBondContact O-CB 3.19Å; L83-F86 PolarHBondContact O-N 3.04Å; L83-F86 VanDerWaalsContact O-N 3.09Å
84R92.2Very high91.1Very high155 Ų15574.7 Ų74.759%0.58535%0.348SS*.Hα-helixtrans-66.4-24.2175.1-74.4-176.3-81.1-158.9-1.1113.4R80 K81 R82 F86 D87R80-R84 PolarHBondContact O-N 2.75Å; K81-R84 WeakPolarHBondContact O-CB 3.33Å; K81-R84 PolarHBondContact O-N 3.37Å; R82-R84 PolarHBondContact O-N 3.07Å; R84-F86 PolarHBondContact O-N 3.3Å; R84-D87 WeakPolarHBondContact O-CB 3.39Å; R84-D87 PolarHBondContact O-N 3.3Å; R84-D87 VanDerWaalsContact O-N 3.16Å
85E93Very high91Very high128 Ų12875.8 Ų75.860%0.59835%0.348SS*.THydrogen-bonded Turntrans-64.9-17173.2-58.4163.8-176.100111.6R82 L83R82-E85 VanDerWaalsContact O-CB 3.25Å; R82-E85 WeakPolarHBondContact O-CB 3.46Å; R82-E85 PolarHBondContact O-N 2.64Å; L83-E85 PolarHBondContact O-N 3.07Å
86F93.3Very high91Very high23 Ų2371.8 Ų71.810%0.10133%0.33CS..THydrogen-bonded Turntrans-99.96.4177.4-66.3-88000113.6Q41 W42 L45 R82 L83 R84 D88 L89 I90Q41-F86 HydrophobicContact CB-CE1 4.44Å; Q41-F86 HydrophobicContact CB-CZ 4.28Å; Q41-F86 HydrophobicContact CG-CE1 4.48Å; Q41-F86 HydrophobicContact CG-CZ 3.85Å; W42-F86 HydrophobicContact CB-CB 4.5Å; W42-F86 HydrophobicContact CB-CD1 4Å; W42-F86 HydrophobicContact CB-CE1 4.37Å; W42-F86 HydrophobicContact CB-CG 4.11Å; W42-F86 AromaticContact CD1-CG 3.89Å; W42-F86 HydrophobicContact CG-CB 4.34Å; W42-F86 HydrophobicContact CG-CG 4.41Å; L45-F86 HydrophobicContact CD1-CE2 3.74Å; L45-F86 HydrophobicContact CD1-CZ 4.28Å; R82-F86 VanDerWaalsContact O-CD2 3.32Å; R82-F86 WeakPolarHBondContact O-CD2 3.42Å; L83-F86 WeakPolarHBondContact O-CB 3.19Å; L83-F86 PolarHBondContact O-N 3.04Å; L83-F86 VanDerWaalsContact O-N 3.09Å; R84-F86 PolarHBondContact O-N 3.3Å; F86-D88 VanDerWaalsContact C-N 3.25Å; F86-D88 PolarHBondContact O-N 2.94Å; F86-L89 HydrophobicContact CB-CB 4.45Å; F86-L89 HydrophobicContact CD1-CB 4.45Å; F86-L89 HydrophobicContact CD1-CD2 3.69Å; F86-L89 HydrophobicContact CE1-CD2 4.44Å; F86-L89 WeakPolarHBondContact O-CB 3.3Å; F86-L89 PolarHBondContact O-N 2.95Å; F86-L89 VanDerWaalsContact O-N 3.12Å; F86-I90 WeakPolarHBondContact O-CG1 3.22Å; F86-I90 PolarHBondContact O-N 2.87Å
87D88.6Confident91.2Very high78 Ų7870.9 Ų70.942%0.41733%0.325SS..Hα-helixtrans-58.9-39.2-177.1-76.6-15.2000111.5R84 I90 K91R84-D87 WeakPolarHBondContact O-CB 3.39Å; R84-D87 PolarHBondContact O-N 3.3Å; R84-D87 VanDerWaalsContact O-N 3.16Å; D87-I90 PolarHBondContact O-N 2.9Å; D87-K91 WeakPolarHBondContact O-CG 3.4Å; D87-K91 PolarHBondContact O-N 3.28Å
88D88.8Confident91.3Very high113 Ų11364.7 Ų64.760%0.60430%0.296SS*.Hα-helixtrans-72.6-33.3177.9-65.5-29000112.8F86 I90 K91 A92F86-D88 VanDerWaalsContact C-N 3.25Å; F86-D88 PolarHBondContact O-N 2.94Å; D88-I90 VanDerWaalsContact C-N 3.35Å; D88-K91 PolarHBondContact O-N 2.79Å; D88-K91 IonicContact OD1-NZ 2.83Å; D88-K91 PolarHBondContact OD1-NZ 3.37Å; D88-A92 WeakPolarHBondContact O-CB 3.4Å; D88-A92 PolarHBondContact O-N 2.79Å
89L92.2Very high91.4Very high24 Ų2460.9 Ų60.913%0.12628%0.282CS..Hα-helixtrans-59.2-48.6168.3173.171.3000110L35 W42 F86 K91 A92 L93L35-L89 HydrophobicContact CD2-CD1 3.62Å; W42-L89 HydrophobicContact CB-CD2 4.46Å; F86-L89 HydrophobicContact CB-CB 4.45Å; F86-L89 HydrophobicContact CD1-CB 4.45Å; F86-L89 HydrophobicContact CD1-CD2 3.69Å; F86-L89 HydrophobicContact CE1-CD2 4.44Å; F86-L89 WeakPolarHBondContact O-CB 3.3Å; F86-L89 PolarHBondContact O-N 2.95Å; F86-L89 VanDerWaalsContact O-N 3.12Å; L89-K91 VanDerWaalsContact C-N 3.31Å; L89-K91 PolarHBondContact O-N 3.14Å; L89-A92 WeakPolarHBondContact O-CB 3.3Å; L89-A92 PolarHBondContact O-N 2.94Å; L89-A92 VanDerWaalsContact O-N 3.09Å; L89-L93 HydrophobicContact CD1-CD1 4.21Å; L89-L93 HydrophobicContact CD1-CD2 4.37Å; L89-L93 HydrophobicContact CD1-CG 4.05Å; L89-L93 HydrophobicContact CD2-CD1 4.35Å; L89-L93 HydrophobicContact CG-CD1 3.96Å; L89-L93 HydrophobicContact CG-CG 4.16Å; L89-L93 VanDerWaalsContact O-CG 3.32Å; L89-L93 WeakPolarHBondContact O-CG 3.36Å; L89-L93 PolarHBondContact O-N 2.93Å
90I90.3Very high91.7Very high18 Ų1862.2 Ų62.29%0.09229%0.287CS..Hα-helixtrans-62-40.9-178.9-65.6-62.4000111L6 F8 W42 F86 D87 D88 L93 Q94L6-I90 HydrophobicContact CD2-CG2 3.83Å; F8-I90 HydrophobicContact CE2-CD1 4.24Å; W42-I90 HydrophobicContact CD2-CD1 3.91Å; W42-I90 HydrophobicContact CE3-CD1 4.35Å; W42-I90 HydrophobicContact CG-CD1 4.34Å; W42-I90 HydrophobicContact CH2-CD1 4.35Å; W42-I90 HydrophobicContact CZ2-CD1 3.88Å; F86-I90 WeakPolarHBondContact O-CG1 3.22Å; F86-I90 PolarHBondContact O-N 2.87Å; D87-I90 PolarHBondContact O-N 2.9Å; D88-I90 VanDerWaalsContact C-N 3.35Å; I90-L93 HydrophobicContact CD1-CD1 4.43Å; I90-L93 PolarHBondContact O-N 3.4Å; I90-Q94 WeakPolarHBondContact O-CB 3.16Å; I90-Q94 VanDerWaalsContact O-CG 3.23Å; I90-Q94 WeakPolarHBondContact O-CG 3.21Å; I90-Q94 PolarHBondContact O-N 2.89Å
91K86.9Confident91.9Very high118 Ų11858.1 Ų58.151%0.51327%0.274SS..Hα-helixtrans-59.2-46.2172-69172.5-162.3157.40111.1D87 D88 L89 L93 Q94 Q95D87-K91 WeakPolarHBondContact O-CG 3.4Å; D87-K91 PolarHBondContact O-N 3.28Å; D88-K91 PolarHBondContact O-N 2.79Å; D88-K91 IonicContact OD1-NZ 2.83Å; D88-K91 PolarHBondContact OD1-NZ 3.37Å; L89-K91 VanDerWaalsContact C-N 3.31Å; L89-K91 PolarHBondContact O-N 3.14Å; K91-L93 PolarHBondContact O-N 3.01Å; K91-Q94 WeakPolarHBondContact O-CB 3.38Å; K91-Q94 PolarHBondContact O-N 2.92Å; K91-Q95 WeakPolarHBondContact O-CG 3.37Å; K91-Q95 PolarHBondContact O-N 2.9Å
92A88.5Confident91.9Very high42 Ų4258.3 Ų58.335%0.34729%0.287SS..Hα-helixtrans-62.1-43.8178.100000112.4D88 L89 Q94 Q95 L96D88-A92 WeakPolarHBondContact O-CB 3.4Å; D88-A92 PolarHBondContact O-N 2.79Å; L89-A92 WeakPolarHBondContact O-CB 3.3Å; L89-A92 PolarHBondContact O-N 2.94Å; L89-A92 VanDerWaalsContact O-N 3.09Å; A92-Q94 VanDerWaalsContact C-N 3.32Å; A92-Q94 PolarHBondContact O-N 3.02Å; A92-Q95 WeakPolarHBondContact O-CA 3.43Å; A92-Q95 WeakPolarHBondContact O-CB 3.34Å; A92-Q95 PolarHBondContact O-N 3.16Å; A92-L96 PolarHBondContact O-N 2.85Å
93L91.8Very high92Very high2 Ų256.1 Ų56.11%0.0128%0.278CS..Hα-helixtrans-63.7-37.4176.8-67.2-179.4000112.2F8 F12 L35 Y39 L89 I90 K91 Q95 L96F8-L93 HydrophobicContact CD1-CB 4.12Å; F8-L93 HydrophobicContact CD2-CB 4.06Å; F8-L93 HydrophobicContact CD2-CD1 3.76Å; F8-L93 HydrophobicContact CE1-CB 3.97Å; F8-L93 HydrophobicContact CE2-CB 3.91Å; F8-L93 HydrophobicContact CE2-CD1 4.11Å; F8-L93 HydrophobicContact CG-CB 4.17Å; F8-L93 HydrophobicContact CG-CD1 4.25Å; F8-L93 HydrophobicContact CZ-CB 3.87Å; F12-L93 HydrophobicContact CE2-CD2 4.03Å; F12-L93 HydrophobicContact CZ-CD2 3.6Å; L35-L93 HydrophobicContact CD2-CD2 4.18Å; Y39-L93 HydrophobicContact CD2-CD1 3.64Å; Y39-L93 HydrophobicContact CE2-CD1 4.47Å; Y39-L93 HydrophobicContact CG-CD1 4.14Å; L89-L93 HydrophobicContact CD1-CD1 4.21Å; L89-L93 HydrophobicContact CD1-CD2 4.37Å; L89-L93 HydrophobicContact CD1-CG 4.05Å; L89-L93 HydrophobicContact CD2-CD1 4.35Å; L89-L93 HydrophobicContact CG-CD1 3.96Å; L89-L93 HydrophobicContact CG-CG 4.16Å; L89-L93 VanDerWaalsContact O-CG 3.32Å; L89-L93 WeakPolarHBondContact O-CG 3.36Å; L89-L93 PolarHBondContact O-N 2.93Å; I90-L93 HydrophobicContact CD1-CD1 4.43Å; I90-L93 PolarHBondContact O-N 3.4Å; K91-L93 PolarHBondContact O-N 3.01Å; L93-Q95 PolarHBondContact O-N 3.35Å; L93-L96 HydrophobicContact CD2-CD1 3.83Å; L93-L96 WeakPolarHBondContact O-CB 3.36Å; L93-L96 WeakPolarHBondContact O-CG 3.4Å; L93-L96 PolarHBondContact O-N 3.07Å
94Q88.3Confident92.3Very high53 Ų5355.9 Ų55.925%0.24828%0.277CS..Hα-helixtrans-64.5-22.4172-72.1172.18.900112.2P4 F8 I90 K91 A92 K348P4-Q94 HydrophobicContact CG-CG 4.31Å; F8-Q94 HydrophobicContact CE1-CG 4.49Å; F8-Q94 HydrophobicContact CZ-CG 3.98Å; I90-Q94 WeakPolarHBondContact O-CB 3.16Å; I90-Q94 VanDerWaalsContact O-CG 3.23Å; I90-Q94 WeakPolarHBondContact O-CG 3.21Å; I90-Q94 PolarHBondContact O-N 2.89Å; K91-Q94 WeakPolarHBondContact O-CB 3.38Å; K91-Q94 PolarHBondContact O-N 2.92Å; A92-Q94 VanDerWaalsContact C-N 3.32Å; A92-Q94 PolarHBondContact O-N 3.02Å; Q94-K348 WeakPolarHBondContact O-CE 3.44Å; Q94-K348 PolarHBondContact O-NZ 3.48Å
95Q87.8Confident92.6Very high67 Ų6749.6 Ų49.631%0.31326%0.257SS..THydrogen-bonded Turntrans-88.8-0.3177.3-65.6-58.1-37.200113.9K91 A92 L93 K315K91-Q95 WeakPolarHBondContact O-CG 3.37Å; K91-Q95 PolarHBondContact O-N 2.9Å; A92-Q95 WeakPolarHBondContact O-CA 3.43Å; A92-Q95 WeakPolarHBondContact O-CB 3.34Å; A92-Q95 PolarHBondContact O-N 3.16Å; L93-Q95 PolarHBondContact O-N 3.35Å; Q95-K315 VanDerWaalsContact OE1-NZ 3.09Å
96L92.6Very high92.7Very high3 Ų348 Ų482%0.01626%0.256CS..PPolyproline II helixtrans-61.7139174.2-70.9174.8000110.9Y11 L22 L30 A92 L93 Y344Y11-L96 HydrophobicContact CD2-CD1 4.24Å; Y11-L96 HydrophobicContact CG-CD1 4.26Å; L22-L96 HydrophobicContact CD2-CD2 4.09Å; L30-L96 HydrophobicContact CD1-CD2 4.45Å; A92-L96 PolarHBondContact O-N 2.85Å; L93-L96 HydrophobicContact CD2-CD1 3.83Å; L93-L96 WeakPolarHBondContact O-CB 3.36Å; L93-L96 WeakPolarHBondContact O-CG 3.4Å; L93-L96 PolarHBondContact O-N 3.07Å; L96-Y344 VanDerWaalsContact O-CE2 3.29Å; L96-Y344 WeakPolarHBondContact O-CE2 3.49Å; L96-Y344 PolarHBondContact O-OH 2.99Å
97P94.3Very high92.8Very high1 Ų147.6 Ų47.61%0.00626%0.258CS..PPolyproline II helixtrans-70.3163.2-178.330.7-36000112.2Y11 L21 L22 R25 L27 K315Y11-P97 VanDerWaalsContact CE1-O 3.27Å; Y11-P97 WeakPolarHBondContact CE1-O 3.43Å; Y11-P97 PolarHBondContact OH-O 3.32Å; L21-P97 HydrophobicContact CD2-CG 4.41Å; L21-P97 HydrophobicContact CG-CG 4.36Å; L22-P97 HydrophobicContact CD2-CG 3.84Å; R25-P97 HydrophobicContact CB-CG 4.44Å; R25-P97 HydrophobicContact CG-CB 4.07Å; R25-P97 HydrophobicContact CG-CG 3.97Å; L27-P97 HydrophobicContact CD1-CG 4.11Å; P97-K315 CarbonylContact C-O 3.49Å; P97-K315 WeakPolarHBondContact CA-O 3.17Å
98N95.3Very high93.2Very high6 Ų647.6 Ų47.63%0.03226%0.258CS..PPolyproline II helixtrans-70.1157169.3-162.312.7000111.1R25 K315 A316 Y341 Y344R25-N98 PolarHBondContact NH2-O 2.8Å; N98-K315 WeakPolarHBondContact CB-O 3.34Å; N98-K315 PolarHBondContact N-O 2.77Å; N98-A316 VanDerWaalsContact CB-O 3.32Å; N98-A316 WeakPolarHBondContact CB-O 3.18Å; N98-A316 PolarHBondContact ND2-O 3.23Å; N98-Y341 PolarHBondContact ND2-O 2.94Å; N98-Y344 HydrophobicContact CB-CD2 3.46Å; N98-Y344 VanDerWaalsContact CB-CD2 3.46Å; N98-Y344 HydrophobicContact CB-CE2 4.06Å; N98-Y344 HydrophobicContact CB-CG 3.8Å; N98-Y344 VanDerWaalsContact CG-CB 3.44Å; N98-Y344 WeakPolarHBondContact ND2-CB 3.41Å
99D94.9Very high93.5Very high47 Ų4751.4 Ų51.425%0.25127%0.265SS..PPolyproline II helixtrans-56.8147.1168.3-81.1-42.6000111R17 S318R17-D99 IonicContact CZ-OD1 3.82Å; R17-D99 IonicContact NE-OD1 3.63Å; R17-D99 IonicContact NH2-OD1 2.77Å; R17-D99 PolarHBondContact NH2-OD1 3.08Å; R17-D99 IonicContact NH2-OD2 3.74Å; R17-D99 PolarHBondContact NH2-OD2 3.35Å; D99-S318 WeakPolarHBondContact O-CA 3.32Å; D99-S318 WeakPolarHBondContact O-CB 3.46Å
100L96.5Very high93.7Very high39 Ų3953.2 Ų53.220%0.20428%0.279CS..PPolyproline II helixtrans-87.4138.9174.6-67.8169.1000110L21 N24 T104 L313L21-L100 HydrophobicContact CD1-CB 4.42Å; L21-L100 HydrophobicContact CD1-CD1 3.88Å; L21-L100 HydrophobicContact CD1-CG 3.69Å; N24-L100 HydrophobicContact CB-CD1 3.75Å; L100-T104 HydrophobicContact CD2-CG2 4.09Å; L100-L313 HydrophobicContact CD2-CD1 3.83Å
101D96.1Very high94.1Very high30 Ų3058 Ų5816%0.1630%0.295CS..PPolyproline II helixtrans-63142.2164.9-173.5-69.4000109.2R103 T104 S318 A319D101-R103 PolarHBondContact O-N 3.17Å; D101-R103 VanDerWaalsContact OD1-CB 3.31Å; D101-R103 WeakPolarHBondContact OD1-CB 3.29Å; D101-R103 IonicContact OD1-CZ 3.31Å; D101-R103 PolarHBondContact OD1-N 3.07Å; D101-R103 IonicContact OD1-NE 2.96Å; D101-R103 PolarHBondContact OD1-NE 2.91Å; D101-R103 IonicContact OD1-NH2 3.99Å; D101-R103 IonicContact OD2-CZ 2.74Å; D101-R103 IonicContact OD2-NE 2.73Å; D101-R103 IonicContact OD2-NH2 3.18Å; D101-R103 PolarHBondContact OD2-NH2 3.32Å; D101-T104 WeakPolarHBondContact O-CB 3.1Å; D101-T104 PolarHBondContact O-N 3.47Å; D101-T104 PolarHBondContact O-OG1 3.49Å; D101-S318 PolarHBondContact N-O 3.34Å; D101-A319 HydrophobicContact CB-CB 3.86Å
102V94.9Very high94.6Very high142 Ų14256.2 Ų56.286%0.86129%0.291SS*.THydrogen-bonded Turntrans-58-22.5-178.868.50000113.3
103R94.4Very high95.1Very high75 Ų7556.9 Ų56.928%0.28329%0.288SS..THydrogen-bonded Turntrans-89.7-10.8-179.6-60.5165-65.3161.9-2.3112.8D101 P105 R111 N282 Q307D101-R103 PolarHBondContact O-N 3.17Å; D101-R103 VanDerWaalsContact OD1-CB 3.31Å; D101-R103 WeakPolarHBondContact OD1-CB 3.29Å; D101-R103 IonicContact OD1-CZ 3.31Å; D101-R103 PolarHBondContact OD1-N 3.07Å; D101-R103 IonicContact OD1-NE 2.96Å; D101-R103 PolarHBondContact OD1-NE 2.91Å; D101-R103 IonicContact OD1-NH2 3.99Å; D101-R103 IonicContact OD2-CZ 2.74Å; D101-R103 IonicContact OD2-NE 2.73Å; D101-R103 IonicContact OD2-NH2 3.18Å; D101-R103 PolarHBondContact OD2-NH2 3.32Å; R103-P105 WeakPolarHBondContact O-CD 3.48Å; R103-R111 PolarHBondContact O-NH2 3.03Å; R103-N282 VanDerWaalsContact CZ-CG 3.48Å; R103-N282 PolarHBondContact NH1-ND2 2.92Å; R103-N282 PolarHBondContact NH1-OD1 3.46Å; R103-N282 VanDerWaalsContact NH2-CG 3.28Å; R103-N282 PolarHBondContact NH2-OD1 3.37Å; R103-Q307 VanDerWaalsContact C-NE2 3.26Å; R103-Q307 VanDerWaalsContact O-CD 3.26Å; R103-Q307 PolarHBondContact O-NE2 3.22Å; R103-Q307 PolarHBondContact O-OE1 3.42Å
104T97.6Very high95.3Very high9 Ų961.2 Ų61.26%0.05531%0.305CS..SBendtrans-66.4122.9-179.4-65.70000109.5L100 D101 V106 L313 S318L100-T104 HydrophobicContact CD2-CG2 4.09Å; D101-T104 WeakPolarHBondContact O-CB 3.1Å; D101-T104 PolarHBondContact O-N 3.47Å; D101-T104 PolarHBondContact O-OG1 3.49Å; T104-V106 PolarHBondContact O-N 2.89Å; T104-L313 HydrophobicContact CG2-CD1 3.71Å; T104-S318 PolarHBondContact OG1-O 2.9Å
105P97.7Very high95.7Very high23 Ų2362.7 Ų62.715%0.14932%0.32CS..PPolyproline II helixtrans-59.1134175.8-21.231.9000110.7R103 R111 Q307 P309 S310R103-P105 WeakPolarHBondContact O-CD 3.48Å; P105-R111 HydrophobicContact CB-CB 4.43Å; P105-R111 HydrophobicContact CG-CB 3.56Å; P105-Q307 HydrophobicContact CG-CB 4.31Å; P105-Q307 HydrophobicContact CG-CG 4.28Å; P105-P309 HydrophobicContact CB-CB 4.23Å; P105-P309 CarbonylContact O-C 3.49Å; P105-P309 VanDerWaalsContact O-CA 3.27Å; P105-P309 WeakPolarHBondContact O-CA 3.37Å; P105-S310 PolarHBondContact O-N 3.39Å
106V97Very high96.1Very high95 Ų9560.2 Ų60.258%0.57631%0.309SS*.PPolyproline II helixtrans-86.8133.6177.7177.80000109.6N24 T104 S310N24-V106 HydrophobicContact CB-CG1 4.13Å; N24-V106 WeakPolarHBondContact OD1-CG1 2.88Å; T104-V106 PolarHBondContact O-N 2.89Å; V106-S310 WeakPolarHBondContact CA-OG 3.46Å
107G94.8Very high95.9Very high15 Ų1562.7 Ų62.716%0.15534%0.335CS..SBendtrans110.9-143.4175.900000113.1P309 S310 K311G107-P309 WeakPolarHBondContact O-CB 3.47Å; G107-S310 PolarHBondContact N-OG 2.97Å; G107-S310 VanDerWaalsContact N-OG 3.08Å; G107-K311 WeakPolarHBondContact O-CB 3.36Å; G107-K311 WeakPolarHBondContact O-CG 3.47Å; G107-K311 PolarHBondContact O-N 2.87Å
108D95.8Very high95.4Very high78 Ų7871.7 Ų71.742%0.41737%0.374SS..SBendtrans-105.9-17.1-169.3-60-76.1000113.6P309 K311D108-P309 WeakPolarHBondContact O-CG 3.44Å; D108-K311 WeakPolarHBondContact OD1-CD 3.3Å; D108-K311 IonicContact OD1-NZ 3.58Å; D108-K311 PolarHBondContact OD1-NZ 2.8Å; D108-K311 IonicContact OD2-NZ 3.59Å; D108-K311 PolarHBondContact OD2-NZ 2.89Å
109Y96.2Very high94.5Very high192 Ų19279.7 Ų79.775%0.75341%0.409SS*.PPolyproline II helixtrans-102.5126.1-169.1-60.3-76.8000112.6P309Y109-P309 WeakPolarHBondContact O-CB 3.31Å
110P96.6Very high93.6Very high63 Ų6380.7 Ų80.741%0.40941%0.41SS..PPolyproline II helixtrans-68.7153176.830.4-35.1000111.8W306 Q307P110-W306 HydrophobicContact CB-CE3 4.01Å; P110-W306 HydrophobicContact CG-CE3 4.1Å; P110-W306 HydrophobicContact CG-CZ3 4.42Å; P110-Q307 WeakPolarHBondContact CA-O 3.48Å; P110-Q307 WeakPolarHBondContact CB-O 3.43Å
111R98Very high92.2Very high118 Ų11888.2 Ų88.245%0.44545%0.447SS..EExtended strand (participates in β ladder)trans-101.6119.2175179.8173.971.7173.93.2110.3R103 P105 L113 Q307R103-R111 PolarHBondContact O-NH2 3.03Å; P105-R111 HydrophobicContact CB-CB 4.43Å; P105-R111 HydrophobicContact CG-CB 3.56Å; R111-L113 HydrophobicContact CG-CD2 4.48Å; R111-L113 PolarHBondContact O-N 3.48Å; R111-Q307 HydrophobicContact CB-CB 4.36Å; R111-Q307 PolarHBondContact N-O 2.89Å; R111-Q307 PolarHBondContact O-N 3.46Å
112L98.1Very high91.6Very high81 Ų8191.6 Ų91.642%0.42447%0.473SS..EExtended strand (participates in β ladder)trans-65.7125.6170.2-175.261.4000109.3W306L112-W306 HydrophobicContact CB-CD2 4.45Å; L112-W306 HydrophobicContact CB-CE3 3.8Å; L112-W306 HydrophobicContact CB-CH2 3.85Å; L112-W306 HydrophobicContact CB-CZ2 4.48Å; L112-W306 HydrophobicContact CB-CZ3 3.48Å; L112-W306 VanDerWaalsContact CB-CZ3 3.48Å; L112-W306 HydrophobicContact CD1-CD2 3.96Å; L112-W306 HydrophobicContact CD1-CE3 4.18Å; L112-W306 HydrophobicContact CD1-CH2 4.03Å; L112-W306 HydrophobicContact CD1-CZ2 3.79Å; L112-W306 HydrophobicContact CD1-CZ3 4.23Å; L112-W306 HydrophobicContact CD2-CH2 4.42Å; L112-W306 HydrophobicContact CG-CH2 4.31Å; L112-W306 HydrophobicContact CG-CZ3 4.36Å
113L97.8Very high91.4Very high55 Ų5586.9 Ų86.929%0.28844%0.443SS..EExtended strand (participates in β ladder)trans-93-45.6176-60.7-177.7000111.2R111 V305 Q307 I321R111-L113 HydrophobicContact CG-CD2 4.48Å; R111-L113 PolarHBondContact O-N 3.48Å; L113-V305 HydrophobicContact CB-CB 4.42Å; L113-V305 HydrophobicContact CB-CG1 4.38Å; L113-V305 WeakPolarHBondContact CB-O 3.36Å; L113-V305 HydrophobicContact CD1-CG1 4.2Å; L113-V305 PolarHBondContact N-O 3.29Å; L113-Q307 HydrophobicContact CD1-CB 4.22Å; L113-Q307 HydrophobicContact CD2-CB 4.16Å; L113-Q307 HydrophobicContact CG-CB 4.19Å; L113-I321 HydrophobicContact CD1-CD1 4.14Å; L113-I321 HydrophobicContact CD1-CG1 4.3Å
114R97.3Very high91.3Very high93 Ų9384.6 Ų84.635%0.35144%0.438SS..EExtended strand (participates in β ladder)trans-172.4167.5-179.652.8-172.7161.7-87.6-2.7111.2E293 V305R114-E293 IonicContact CZ-OE1 2.76Å; R114-E293 IonicContact NE-OE1 3.93Å; R114-E293 PolarHBondContact NE-OE1 2.96Å; R114-E293 IonicContact NE-OE2 3.96Å; R114-E293 IonicContact NH2-OE1 3.41Å; R114-E293 PolarHBondContact NH2-OE1 3.18Å; R114-E293 IonicContact NH2-OE2 2.86Å; R114-V305 HydrophobicContact CG-CB 4.02Å; R114-V305 HydrophobicContact CG-CG2 3.94Å; R114-V305 PolarHBondContact O-N 3.36Å
115C97Very high91.1Very high84 Ų8486 Ų8657%0.56845%0.445SS*.EExtended strand (participates in β ladder)trans-111.2150.3170-59.50000110.3A303C115-A303 CarbonylContact C-O 3.55Å; C115-A303 WeakPolarHBondContact CA-O 3.5Å
116I95.5Very high90.9Very high15 Ų1585 Ų858%0.07744%0.438CS..EExtended strand (participates in β ladder)trans-118.4140.7178.2-55.8169.8000107.3E293 L296 Q302 A303 V305 F323I116-E293 HydrophobicContact CD1-CB 4.26Å; I116-E293 HydrophobicContact CD1-CG 3.81Å; I116-L296 HydrophobicContact CD1-CB 4.45Å; I116-L296 HydrophobicContact CD1-CD1 3.98Å; I116-L296 HydrophobicContact CG2-CB 4.32Å; I116-Q302 WeakPolarHBondContact O-CA 3.11Å; I116-A303 HydrophobicContact CB-CB 4.41Å; I116-A303 PolarHBondContact N-O 2.59Å; I116-A303 PolarHBondContact O-N 2.83Å; I116-V305 HydrophobicContact CD1-CG2 3.69Å; I116-V305 HydrophobicContact CG1-CG2 4.05Å; I116-F323 HydrophobicContact CD1-CD1 4.26Å; I116-F323 HydrophobicContact CD1-CE1 4.37Å
117G89.2Confident90.6Very high55 Ų5581.9 Ų81.957%0.56742%0.419SS*.SBendtrans74.4177.2179.100000113.9
118K83.8Confident90.4Very high190 Ų19085.6 Ų85.683%0.82643%0.432SS*.  trans-104.4148176-67.5-178.8-177.9175.80109.6K120K118-K120 PolarHBondContact O-N 2.91Å
119K75.8Confident90.3Very high175 Ų17582 Ų8276%0.76141%0.413SS*.  trans-65.3115.4176.2-169.2174.6-179179.40110.4Q302K119-Q302 VanDerWaalsContact CA-OE1 3.3Å
120K74.9Confident90.2Very high67 Ų6772.9 Ų72.929%0.29138%0.377SS..  trans-76.5139.7170.3-75.1-174.6173.6177.30109.1K118 Q378K118-K120 PolarHBondContact O-N 2.91Å; K120-Q378 HydrophobicContact CD-CB 3.93Å; K120-Q378 HydrophobicContact CD-CG 4.28Å; K120-Q378 WeakPolarHBondContact CD-O 3.22Å; K120-Q378 PolarHBondContact NZ-O 2.97Å
121M68.6Low90Very high198 Ų19872.7 Ų72.798%0.97538%0.377SS*.SBendtrans-76.3-24.3-172.2-71.2-166.483.200113.4
122S83.3Confident89.7Confident100 Ų10072.6 Ų72.670%0.69938%0.382SS*.  trans-140.5122177.657.30000110
123L90.8Very high89.4Confident44 Ų4473 Ų7323%0.2338%0.38CS..  trans-95.5134.9169.1-63.8177.2000108.1H328 E377 Q378L123-H328 HydrophobicContact CB-CB 3.85Å; L123-E377 WeakPolarHBondContact CA-O 3.33Å; L123-E377 HydrophobicContact CB-CB 4.36Å; L123-E377 HydrophobicContact CD2-CB 4.46Å; L123-Q378 HydrophobicContact CD2-CG 3.53Å
124C92Very high89.2Confident26 Ų2672.4 Ų72.418%0.17639%0.387CS..  trans-77.8154.8176.286.50000111.2H126 H328 I376 E377 W380C124-H126 PolarHBondContact O-N 2.75Å; C124-H328 WeakPolarHBondContact O-CB 3.31Å; C124-I376 PolarHBondContact SG-O 2.86Å; C124-E377 PolarHBondContact N-O 3.02Å; C124-E377 VanDerWaalsContact O-CG 3.23Å; C124-E377 WeakPolarHBondContact O-CG 3.31Å; C124-E377 VanDerWaalsContact SG-CA 3.55Å; C124-W380 VanDerWaalsContact CB-O 3.31Å; C124-W380 WeakPolarHBondContact CB-O 2.89Å; C124-W380 PolarHBondContact SG-O 3.18Å
125N92.7Very high89Confident40 Ų4070.4 Ų70.421%0.21438%0.38CS..  trans-77.7102.7168.2-179.2-11.3000109D127 E128 L129 H328N125-D127 PolarHBondContact ND2-OD2 3.47Å; N125-D127 PolarHBondContact O-N 3.48Å; N125-D127 PolarHBondContact OD1-N 2.82Å; N125-D127 PolarHBondContact OD1-OD1 3.37Å; N125-D127 PolarHBondContact OD1-OD2 3.43Å; N125-E128 HydrophobicContact CB-CB 4.05Å; N125-E128 WeakPolarHBondContact ND2-CB 3.48Å; N125-E128 PolarHBondContact OD1-N 2.88Å; N125-E128 VanDerWaalsContact OD1-N 3.17Å; N125-L129 VanDerWaalsContact O-CB 3.24Å; N125-L129 WeakPolarHBondContact O-CB 3.38Å; N125-L129 PolarHBondContact O-N 2.86Å; N125-H328 VanDerWaalsContact CG-CE1 3.45Å; N125-H328 PolarHBondContact OD1-CE1 2.88Å; N125-H328 PolarHBondContact OD1-NE2 2.99Å
126H93.1Very high88.8Confident0 Ų066.8 Ų66.80%036%0.355CS..Hα-helixtrans-65.8-35-179.474.6-85.8000112.9C124 L130 D259 L260 F261 I376 E377C124-H126 PolarHBondContact O-N 2.75Å; H126-L130 VanDerWaalsContact O-CB 3.3Å; H126-L130 WeakPolarHBondContact O-CB 3.37Å; H126-L130 WeakPolarHBondContact O-CG 3.16Å; H126-L130 PolarHBondContact O-N 2.89Å; H126-D259 IonicContact CE1-OD2 2.8Å; H126-L260 PolarHBondContact NE2-N 3.19Å; H126-L260 VanDerWaalsContact NE2-N 3.19Å; H126-F261 AromaticContact CE1-CD2 3.59Å; H126-F261 AromaticContact CE1-CE2 3.75Å; H126-F261 AromaticContact ND1-CE2 3.94Å; H126-I376 HydrophobicContact CB-CB 4.06Å; H126-I376 HydrophobicContact CB-CG2 3.56Å; H126-E377 HydrophobicContact CB-CG 3.82Å; H126-E377 IonicContact CE1-OE1 3.53Å; H126-E377 IonicContact CG-OE1 3.61Å; H126-E377 IonicContact ND1-OE1 3.62Å; H126-E377 PolarHBondContact ND1-OE1 3.15Å
127D91Very high88.6Confident31 Ų3172.5 Ų72.517%0.16638%0.376CS..Hα-helixtrans-68.4-45.1-177.760.3-104.2000111.1N125 S131 D259 H328 K329N125-D127 PolarHBondContact ND2-OD2 3.47Å; N125-D127 PolarHBondContact O-N 3.48Å; N125-D127 PolarHBondContact OD1-N 2.82Å; N125-D127 PolarHBondContact OD1-OD1 3.37Å; N125-D127 PolarHBondContact OD1-OD2 3.43Å; D127-S131 WeakPolarHBondContact O-CB 3.4Å; D127-S131 PolarHBondContact O-N 2.93Å; D127-S131 PolarHBondContact O-OG 3.18Å; D127-D259 HydrophobicContact CB-CB 4.12Å; D127-H328 IonicContact OD1-CE1 3.71Å; D127-K329 IonicContact OD1-NZ 2.93Å; D127-K329 PolarHBondContact OD1-NZ 2.91Å
128E91.4Very high88.3Confident92 Ų9272.2 Ų72.243%0.4336%0.361SS..Hα-helixtrans-64.1-47.6174-178.6175.4-17300111.5N125 L130 S131 Q132N125-E128 HydrophobicContact CB-CB 4.05Å; N125-E128 WeakPolarHBondContact ND2-CB 3.48Å; N125-E128 PolarHBondContact OD1-N 2.88Å; N125-E128 VanDerWaalsContact OD1-N 3.17Å; E128-L130 PolarHBondContact O-N 3.43Å; E128-S131 PolarHBondContact O-N 3.23Å; E128-Q132 HydrophobicContact CG-CG 4.32Å; E128-Q132 WeakPolarHBondContact O-CB 3.41Å; E128-Q132 VanDerWaalsContact O-CG 3.29Å; E128-Q132 WeakPolarHBondContact O-CG 3.38Å; E128-Q132 PolarHBondContact O-N 3.45Å; E128-Q132 PolarHBondContact OE1-NE2 3.4Å
129L93.2Very high88.2Confident4 Ų466.8 Ų66.82%0.02134%0.338CS..Hα-helixtrans-58.1-52.1-179.8177.364.4000111.6N125 S131 Q132 K133 I376 W380 L382N125-L129 VanDerWaalsContact O-CB 3.24Å; N125-L129 WeakPolarHBondContact O-CB 3.38Å; N125-L129 PolarHBondContact O-N 2.86Å; L129-S131 VanDerWaalsContact C-N 3.34Å; L129-S131 PolarHBondContact O-N 2.93Å; L129-Q132 PolarHBondContact O-N 2.74Å; L129-K133 HydrophobicContact CD1-CG 4.36Å; L129-K133 VanDerWaalsContact O-CG 3.31Å; L129-K133 WeakPolarHBondContact O-CG 3.23Å; L129-K133 PolarHBondContact O-N 3.01Å; L129-K133 VanDerWaalsContact O-N 3.07Å; L129-I376 HydrophobicContact CD2-CG2 3.86Å; L129-W380 HydrophobicContact CD2-CB 3.68Å; L129-W380 HydrophobicContact CD2-CE3 3.97Å; L129-L382 HydrophobicContact CD1-CD2 3.74Å; L129-L382 HydrophobicContact CD1-CG 4.19Å
130L93.9Very high87.7Confident0 Ų068.3 Ų68.30%034%0.339CS..Hα-helixtrans-65.9-38.5-178.4-68.2174.4000111.6H126 E128 K133 G134 W135 L136 L147 L260 I376 W380H126-L130 VanDerWaalsContact O-CB 3.3Å; H126-L130 WeakPolarHBondContact O-CB 3.37Å; H126-L130 WeakPolarHBondContact O-CG 3.16Å; H126-L130 PolarHBondContact O-N 2.89Å; E128-L130 PolarHBondContact O-N 3.43Å; L130-K133 PolarHBondContact O-N 3.1Å; L130-G134 PolarHBondContact O-N 3.13Å; L130-G134 VanDerWaalsContact O-N 3.1Å; L130-W135 HydrophobicContact CD2-CB 3.97Å; L130-W135 HydrophobicContact CD2-CE3 3.99Å; L130-W135 PolarHBondContact O-N 2.95Å; L130-L136 HydrophobicContact CB-CB 3.5Å; L130-L136 VanDerWaalsContact CB-CB 3.5Å; L130-L136 HydrophobicContact CB-CD2 4.32Å; L130-L136 HydrophobicContact CD1-CB 4.29Å; L130-L136 HydrophobicContact CD1-CD2 4.4Å; L130-L136 PolarHBondContact O-N 2.77Å; L130-L147 HydrophobicContact CD1-CD1 4.39Å; L130-L260 HydrophobicContact CD1-CD1 3.53Å; L130-L260 HydrophobicContact CD1-CG 4.29Å; L130-I376 HydrophobicContact CD1-CD1 3.86Å; L130-I376 HydrophobicContact CD2-CD1 4.02Å; L130-I376 HydrophobicContact CG-CD1 4.24Å; L130-W380 HydrophobicContact CD2-CZ3 4.06Å
131S92Very high87.4Confident59 Ų5973.5 Ų73.541%0.41336%0.364SS..Hα-helixtrans-65.3-44.7177.4-600000111.3D127 E128 L129 K133 G134D127-S131 WeakPolarHBondContact O-CB 3.4Å; D127-S131 PolarHBondContact O-N 2.93Å; D127-S131 PolarHBondContact O-OG 3.18Å; E128-S131 PolarHBondContact O-N 3.23Å; L129-S131 VanDerWaalsContact C-N 3.34Å; L129-S131 PolarHBondContact O-N 2.93Å; S131-K133 VanDerWaalsContact C-N 3.31Å; S131-K133 PolarHBondContact O-N 3.46Å; S131-G134 PolarHBondContact O-N 2.95Å
132Q92.4Very high87.2Confident115 Ų11568.9 Ų68.954%0.53734%0.34SS..Hα-helixtrans-63.3-35.2177.9-74.8-175.312.500112.6E128 L129 G134E128-Q132 HydrophobicContact CG-CG 4.32Å; E128-Q132 WeakPolarHBondContact O-CB 3.41Å; E128-Q132 VanDerWaalsContact O-CG 3.29Å; E128-Q132 WeakPolarHBondContact O-CG 3.38Å; E128-Q132 PolarHBondContact O-N 3.45Å; E128-Q132 PolarHBondContact OE1-NE2 3.4Å; L129-Q132 PolarHBondContact O-N 2.74Å; Q132-G134 VanDerWaalsContact C-N 3.28Å
133K92.2Very high86.6Confident89 Ų8968.2 Ų68.239%0.38733%0.325SS..THydrogen-bonded Turntrans-81.4-5.1175.3-59.6-68.3-178.6178.50113.3L129 L130 S131 W135 L382L129-K133 HydrophobicContact CD1-CG 4.36Å; L129-K133 VanDerWaalsContact O-CG 3.31Å; L129-K133 WeakPolarHBondContact O-CG 3.23Å; L129-K133 PolarHBondContact O-N 3.01Å; L129-K133 VanDerWaalsContact O-N 3.07Å; L130-K133 PolarHBondContact O-N 3.1Å; S131-K133 VanDerWaalsContact C-N 3.31Å; S131-K133 PolarHBondContact O-N 3.46Å; K133-W135 VanDerWaalsContact C-N 3.29Å; K133-W135 HydrophobicContact CB-CD2 3.61Å; K133-W135 HydrophobicContact CB-CE3 3.75Å; K133-W135 HydrophobicContact CB-CG 4.07Å; K133-W135 HydrophobicContact CB-CH2 4.2Å; K133-W135 HydrophobicContact CB-CZ2 4.09Å; K133-W135 HydrophobicContact CB-CZ3 4.05Å; K133-W135 HydrophobicContact CD-CH2 4.47Å; K133-W135 HydrophobicContact CG-CD2 4.48Å; K133-W135 HydrophobicContact CG-CE3 4.17Å; K133-W135 HydrophobicContact CG-CH2 4.18Å; K133-W135 HydrophobicContact CG-CZ2 4.49Å; K133-W135 HydrophobicContact CG-CZ3 4.02Å; K133-W135 PolarHBondContact O-N 3.43Å; K133-W135 PolarHBondContact O-NE1 3.12Å; K133-L382 PolarHBondContact NZ-O 2.97Å
134G93Very high86.2Confident43 Ų4369.5 Ų69.544%0.44333%0.33SS..THydrogen-bonded Turntrans71.121.6-176.500000114.1L130 S131 Q132L130-G134 PolarHBondContact O-N 3.13Å; L130-G134 VanDerWaalsContact O-N 3.1Å; S131-G134 PolarHBondContact O-N 2.95Å; Q132-G134 VanDerWaalsContact C-N 3.28Å
135W94.5Very high85.9Confident52 Ų5269.8 Ų69.820%0.19733%0.332CS..  trans-97.2-5.5180-60.5-20.5000113.4L130 K133 I148 R150 W380 C385L130-W135 HydrophobicContact CD2-CB 3.97Å; L130-W135 HydrophobicContact CD2-CE3 3.99Å; L130-W135 PolarHBondContact O-N 2.95Å; K133-W135 VanDerWaalsContact C-N 3.29Å; K133-W135 HydrophobicContact CB-CD2 3.61Å; K133-W135 HydrophobicContact CB-CE3 3.75Å; K133-W135 HydrophobicContact CB-CG 4.07Å; K133-W135 HydrophobicContact CB-CH2 4.2Å; K133-W135 HydrophobicContact CB-CZ2 4.09Å; K133-W135 HydrophobicContact CB-CZ3 4.05Å; K133-W135 HydrophobicContact CD-CH2 4.47Å; K133-W135 HydrophobicContact CG-CD2 4.48Å; K133-W135 HydrophobicContact CG-CE3 4.17Å; K133-W135 HydrophobicContact CG-CH2 4.18Å; K133-W135 HydrophobicContact CG-CZ2 4.49Å; K133-W135 HydrophobicContact CG-CZ3 4.02Å; K133-W135 PolarHBondContact O-N 3.43Å; K133-W135 PolarHBondContact O-NE1 3.12Å; W135-I148 VanDerWaalsContact CA-O 3.27Å; W135-I148 WeakPolarHBondContact CA-O 3.42Å; W135-I148 VanDerWaalsContact CB-O 3.26Å; W135-I148 WeakPolarHBondContact CB-O 3.39Å; W135-I148 PolarHBondContact O-N 2.93Å; W135-R150 HydrophobicContact CD2-CB 3.87Å; W135-R150 HydrophobicContact CE3-CB 4.05Å; W135-R150 HydrophobicContact CH2-CB 4Å; W135-R150 HydrophobicContact CH2-CG 4.39Å; W135-R150 HydrophobicContact CZ2-CB 3.8Å; W135-R150 HydrophobicContact CZ3-CB 4.11Å; W135-R150 HydrophobicContact CZ3-CG 4.49Å; W135-W380 HydrophobicContact CE3-CH2 4.47Å; W135-W380 AromaticContact CE3-CZ3 3.95Å; W135-W380 HydrophobicContact CE3-CZ3 3.95Å; W135-W380 HydrophobicContact CZ3-CE3 4.39Å; W135-W380 HydrophobicContact CZ3-CH2 4.17Å; W135-W380 AromaticContact CZ3-CZ3 3.72Å; W135-W380 HydrophobicContact CZ3-CZ3 3.72Å; W135-C385 HydrophobicContact CH2-CB 4.03Å; W135-C385 HydrophobicContact CZ3-CB 3.97Å
136L92.7Very high85.8Confident8 Ų872.8 Ų72.84%0.04234%0.343CS..EExtended strand (participates in β ladder)trans-133.1128.5170.9176.663.5000109.3L130 L138 F146 F263L130-L136 HydrophobicContact CB-CB 3.5Å; L130-L136 VanDerWaalsContact CB-CB 3.5Å; L130-L136 HydrophobicContact CB-CD2 4.32Å; L130-L136 HydrophobicContact CD1-CB 4.29Å; L130-L136 HydrophobicContact CD1-CD2 4.4Å; L130-L136 PolarHBondContact O-N 2.77Å; L136-L138 HydrophobicContact CD1-CD2 3.93Å; L136-L138 HydrophobicContact CD1-CG 4.41Å; L136-L138 HydrophobicContact CD2-CD1 4.31Å; L136-L138 HydrophobicContact CD2-CD2 4.19Å; L136-L138 HydrophobicContact CD2-CG 4.21Å; L136-L138 HydrophobicContact CG-CD2 4.09Å; L136-L138 HydrophobicContact CG-CG 4.07Å; L136-F146 WeakPolarHBondContact CA-O 3.47Å; L136-F263 HydrophobicContact CD1-CZ 3.75Å
137Y89.6Confident85.8Confident135 Ų13574.3 Ų74.353%0.52935%0.351SS..EExtended strand (participates in β ladder)trans-121.6118.7172.6-178.9-103.8000110K139 F146Y137-K139 HydrophobicContact CE1-CB 4.29Å; Y137-F146 AromaticContact CD1-CD2 3.85Å; Y137-F146 HydrophobicContact CD1-CD2 3.85Å; Y137-F146 HydrophobicContact CD1-CE2 4.45Å; Y137-F146 PolarHBondContact N-O 3.24Å; Y137-F146 PolarHBondContact O-N 3.42Å
138L84.3Confident85.9Confident48 Ų4876.6 Ų76.625%0.25136%0.362SS..EExtended strand (participates in β ladder)trans-106.7117.5-178.1-61.6173.6000110.1L136 C145 E258 F263L136-L138 HydrophobicContact CD1-CD2 3.93Å; L136-L138 HydrophobicContact CD1-CG 4.41Å; L136-L138 HydrophobicContact CD2-CD1 4.31Å; L136-L138 HydrophobicContact CD2-CD2 4.19Å; L136-L138 HydrophobicContact CD2-CG 4.21Å; L136-L138 HydrophobicContact CG-CD2 4.09Å; L136-L138 HydrophobicContact CG-CG 4.07Å; L138-C145 HydrophobicContact CD2-CB 3.9Å; L138-C145 WeakPolarHBondContact CD2-SG 3.34Å; L138-E258 WeakPolarHBondContact CD1-O 3.13Å; L138-F263 HydrophobicContact CD2-CE1 4.2Å
139K80.1Confident86Confident76 Ų7673.9 Ų73.933%0.3336%0.359SS..EExtended strand (participates in β ladder)trans-101.189.1172.6-167.8-174.2-178.4-165.90109.3Y137 E141 Q142 F143 Q144Y137-K139 HydrophobicContact CE1-CB 4.29Å; K139-E141 VanDerWaalsContact C-N 3.25Å; K139-E141 PolarHBondContact O-N 2.79Å; K139-E141 VanDerWaalsContact O-N 3.11Å; K139-Q142 PolarHBondContact O-N 2.83Å; K139-F143 PolarHBondContact O-N 3.41Å; K139-Q144 HydrophobicContact CB-CB 4.12Å; K139-Q144 PolarHBondContact N-O 2.91Å; K139-Q144 PolarHBondContact O-N 3.04Å
140R66.9Low85.9Confident208 Ų20877.5 Ų77.579%0.78537%0.373SS*.THydrogen-bonded Turntrans-54.4-31.5-169.8-66.1-177.2176.6177.6-3.3115.1Q142R140-Q142 VanDerWaalsContact C-N 3.32Å; R140-Q142 PolarHBondContact O-N 3.41Å
141E67.1Low85.7Confident175 Ų17577.5 Ų77.582%0.81837%0.373SS*.THydrogen-bonded Turntrans-72.4-22.2-176.5-67.9-177.9168.600114.2K139K139-E141 VanDerWaalsContact C-N 3.25Å; K139-E141 PolarHBondContact O-N 2.79Å; K139-E141 VanDerWaalsContact O-N 3.11Å
142Q64.7Low85.8Confident101 Ų10177.1 Ų77.147%0.47237%0.369SS..THydrogen-bonded Turntrans-123.79.4-172-68.3-175-29.400113.6K139 R140 Q144K139-Q142 PolarHBondContact O-N 2.83Å; R140-Q142 VanDerWaalsContact C-N 3.32Å; R140-Q142 PolarHBondContact O-N 3.41Å; Q142-Q144 HydrophobicContact CB-CB 4.36Å; Q142-Q144 HydrophobicContact CB-CG 3.82Å; Q142-Q144 PolarHBondContact O-N 2.83Å; Q142-Q144 VanDerWaalsContact OE1-NE2 3.08Å
143F72Confident85.9Confident86 Ų8676.1 Ų76.138%0.37737%0.368SS..THydrogen-bonded Turntrans53.833.5-174.3-52-70.6000112.2K139 E258 R264K139-F143 PolarHBondContact O-N 3.41Å; F143-E258 WeakPolarHBondContact CA-OE1 3.46Å; F143-E258 VanDerWaalsContact CA-OE2 3.3Å; F143-E258 WeakPolarHBondContact CA-OE2 3.44Å; F143-E258 WeakPolarHBondContact CB-OE1 3.38Å; F143-E258 HydrophobicContact CD1-CG 4.37Å; F143-E258 WeakPolarHBondContact CD1-OE1 3.45Å; F143-R264 VanDerWaalsContact CE1-NH2 3.26Å; F143-R264 VanDerWaalsContact CE2-NH1 3.28Å; F143-R264 VanDerWaalsContact CZ-NH2 3.29Å
144Q80.8Confident86Confident72 Ų7272 Ų7234%0.33635%0.35SS..EExtended strand (participates in β ladder)trans-101.2118.8-175.3-78.8175.63.800109K139 Q142 F146K139-Q144 HydrophobicContact CB-CB 4.12Å; K139-Q144 PolarHBondContact N-O 2.91Å; K139-Q144 PolarHBondContact O-N 3.04Å; Q142-Q144 HydrophobicContact CB-CB 4.36Å; Q142-Q144 HydrophobicContact CB-CG 3.82Å; Q142-Q144 PolarHBondContact O-N 2.83Å; Q142-Q144 VanDerWaalsContact OE1-NE2 3.08Å; Q144-F146 HydrophobicContact CB-CE2 3.96Å; Q144-F146 HydrophobicContact CB-CZ 4.46Å
145C86.1Confident86.1Confident32 Ų3270.7 Ų70.722%0.21633%0.333CS..EExtended strand (participates in β ladder)trans-119.2133179.7-55.80000109.6L138 F263L138-C145 HydrophobicContact CD2-CB 3.9Å; L138-C145 WeakPolarHBondContact CD2-SG 3.34Å; C145-F263 HydrophobicContact CB-CD1 3.9Å; C145-F263 HydrophobicContact CB-CD2 4.05Å; C145-F263 HydrophobicContact CB-CE1 3.41Å; C145-F263 VanDerWaalsContact CB-CE1 3.41Å; C145-F263 HydrophobicContact CB-CE2 3.53Å; C145-F263 HydrophobicContact CB-CG 4.25Å; C145-F263 HydrophobicContact CB-CZ 3.23Å; C145-F263 VanDerWaalsContact SG-CD1 3.6Å; C145-F263 WeakPolarHBondContact SG-CE1 3.39Å
146F90.9Very high86.1Confident103 Ų10370.9 Ų70.945%0.45234%0.34SS..EExtended strand (participates in β ladder)trans-120.6121.9178.9-59.3-94.5000109.4L136 Y137 Q144 I148L136-F146 WeakPolarHBondContact CA-O 3.47Å; Y137-F146 AromaticContact CD1-CD2 3.85Å; Y137-F146 HydrophobicContact CD1-CD2 3.85Å; Y137-F146 HydrophobicContact CD1-CE2 4.45Å; Y137-F146 PolarHBondContact N-O 3.24Å; Y137-F146 PolarHBondContact O-N 3.42Å; Q144-F146 HydrophobicContact CB-CE2 3.96Å; Q144-F146 HydrophobicContact CB-CZ 4.46Å; F146-I148 HydrophobicContact CB-CD1 4.46Å; F146-I148 HydrophobicContact CB-CG1 4.33Å
147L92.9Very high86.3Confident31 Ų3170.9 Ų70.916%0.16234%0.34CS..EExtended strand (participates in β ladder)trans-92.4127.7172.1-164.568.4000108.4L130 G151 C152 L155 L260 L372L130-L147 HydrophobicContact CD1-CD1 4.39Å; L147-G151 VanDerWaalsContact CD2-O 3.3Å; L147-G151 WeakPolarHBondContact CD2-O 3.36Å; L147-C152 HydrophobicContact CG-CB 4.47Å; L147-L155 HydrophobicContact CD2-CB 4Å; L147-L155 HydrophobicContact CD2-CD2 3.91Å; L147-L260 HydrophobicContact CD1-CD2 4.27Å; L147-L372 HydrophobicContact CD1-CD2 4.49Å; L147-L372 HydrophobicContact CD2-CD2 3.66Å
148I93.6Very high86.6Confident79 Ų7964.4 Ų64.441%0.40532%0.315SS..  trans-130.5147.2-167.7-52.3172.8000109.5W135 F146 R150 G151W135-I148 VanDerWaalsContact CA-O 3.27Å; W135-I148 WeakPolarHBondContact CA-O 3.42Å; W135-I148 VanDerWaalsContact CB-O 3.26Å; W135-I148 WeakPolarHBondContact CB-O 3.39Å; W135-I148 PolarHBondContact O-N 2.93Å; F146-I148 HydrophobicContact CB-CD1 4.46Å; F146-I148 HydrophobicContact CB-CG1 4.33Å; I148-R150 PolarHBondContact O-N 3.15Å; I148-G151 PolarHBondContact O-N 2.84Å
149G92.9Very high87.2Confident36 Ų3663.5 Ų63.537%0.37131%0.309SS..THydrogen-bonded Turntrans57.3-131.2174.100000112.2G151 C152 D153G149-G151 PolarHBondContact O-N 2.98Å; G149-G151 VanDerWaalsContact O-N 3.12Å; G149-C152 WeakPolarHBondContact O-CA 3.2Å; G149-C152 VanDerWaalsContact O-CB 3.29Å; G149-C152 WeakPolarHBondContact O-CB 3.37Å; G149-C152 PolarHBondContact O-N 2.86Å; G149-D153 PolarHBondContact O-N 3.21Å; G149-D153 VanDerWaalsContact O-N 3.07Å
150R91Very high87.9Confident79 Ų7964.2 Ų64.230%0.29831%0.314SS..Hα-helixtrans-59.2-30.4-172-165173.6-1711555.1114.1W135 I148 C152 D153 L154 W380 C385 C386W135-R150 HydrophobicContact CD2-CB 3.87Å; W135-R150 HydrophobicContact CE3-CB 4.05Å; W135-R150 HydrophobicContact CH2-CB 4Å; W135-R150 HydrophobicContact CH2-CG 4.39Å; W135-R150 HydrophobicContact CZ2-CB 3.8Å; W135-R150 HydrophobicContact CZ3-CB 4.11Å; W135-R150 HydrophobicContact CZ3-CG 4.49Å; I148-R150 PolarHBondContact O-N 3.15Å; R150-C152 VanDerWaalsContact C-N 3.31Å; R150-D153 PolarHBondContact O-N 3.19Å; R150-L154 WeakPolarHBondContact O-CB 3.35Å; R150-L154 PolarHBondContact O-N 2.81Å; R150-W380 HydrophobicContact CG-CH2 4.15Å; R150-C385 PolarHBondContact NE-O 3.33Å; R150-C385 PolarHBondContact NH1-O 3.38Å; R150-C385 PolarHBondContact NH2-O 2.93Å; R150-C386 PolarHBondContact NH1-SG 2.93Å
151G91.1Very high89.3Confident0 Ų055.2 Ų55.20%028%0.28CS..Hα-helixtrans-61.7-41.9173.400000111.7L147 I148 G149 L155L147-G151 VanDerWaalsContact CD2-O 3.3Å; L147-G151 WeakPolarHBondContact CD2-O 3.36Å; I148-G151 PolarHBondContact O-N 2.84Å; G149-G151 PolarHBondContact O-N 2.98Å; G149-G151 VanDerWaalsContact O-N 3.12Å; G151-L155 PolarHBondContact O-N 3.24Å; G151-L155 VanDerWaalsContact O-N 3.09Å
152C94.2Very high90.7Very high51 Ų5146.9 Ų46.935%0.34524%0.241SC..Hα-helixtrans-70.4-39.3177.7-173.40000111.9L147 G149 R150 L155 T156L147-C152 HydrophobicContact CG-CB 4.47Å; G149-C152 WeakPolarHBondContact O-CA 3.2Å; G149-C152 VanDerWaalsContact O-CB 3.29Å; G149-C152 WeakPolarHBondContact O-CB 3.37Å; G149-C152 PolarHBondContact O-N 2.86Å; R150-C152 VanDerWaalsContact C-N 3.31Å; C152-L155 PolarHBondContact O-N 3.4Å; C152-T156 PolarHBondContact O-N 2.86Å; C152-T156 PolarHBondContact O-OG1 3.03Å
153D93.6Very high92.2Very high94 Ų9444 Ų4450%0.50323%0.228SC..Hα-helixtrans-60.9-47.6175.9-59.5-30.4000110.3G149 R150 L155 T156 S157G149-D153 PolarHBondContact O-N 3.21Å; G149-D153 VanDerWaalsContact O-N 3.07Å; R150-D153 PolarHBondContact O-N 3.19Å; D153-L155 PolarHBondContact O-N 2.74Å; D153-T156 WeakPolarHBondContact O-CA 3.27Å; D153-T156 WeakPolarHBondContact O-CB 2.97Å; D153-T156 PolarHBondContact O-N 3.32Å; D153-S157 PolarHBondContact O-N 2.86Å; D153-S157 PolarHBondContact O-OG 3.1Å
154L93.6Very high93.4Very high3 Ų342.9 Ų42.92%0.01623%0.232CC..Hα-helixtrans-62.5-40.2178.1-177.359.4000112.6R150 T156 S157 L158 L372 I375 I376 W380 L388 L392R150-L154 WeakPolarHBondContact O-CB 3.35Å; R150-L154 PolarHBondContact O-N 2.81Å; L154-T156 VanDerWaalsContact C-N 3.27Å; L154-T156 PolarHBondContact O-N 3.07Å; L154-S157 PolarHBondContact O-N 3.1Å; L154-L158 WeakPolarHBondContact O-CB 3.41Å; L154-L158 PolarHBondContact O-N 3.46Å; L154-L372 HydrophobicContact CB-CD1 3.97Å; L154-L372 HydrophobicContact CD2-CD1 3.44Å; L154-L372 VanDerWaalsContact CD2-CD1 3.44Å; L154-L372 HydrophobicContact CG-CD1 3.49Å; L154-L372 VanDerWaalsContact CG-CD1 3.49Å; L154-I375 HydrophobicContact CD2-CG2 4.23Å; L154-I376 HydrophobicContact CD2-CG1 4.26Å; L154-W380 HydrophobicContact CD2-CH2 3.86Å; L154-W380 HydrophobicContact CD2-CZ2 3.58Å; L154-L388 HydrophobicContact CD1-CD1 4.2Å; L154-L388 HydrophobicContact CD1-CD2 3.54Å; L154-L388 HydrophobicContact CD2-CD2 4Å; L154-L388 HydrophobicContact CG-CD2 4.45Å; L154-L392 HydrophobicContact CD1-CD1 3.86Å
155L95.5Very high94.1Very high15 Ų1540.5 Ų40.58%0.07922%0.221CC..Hα-helixtrans-59-42.7172.8-17860.2000110.8L147 G151 C152 D153 L158 E159 R267 L368 L372L147-L155 HydrophobicContact CD2-CB 4Å; L147-L155 HydrophobicContact CD2-CD2 3.91Å; G151-L155 PolarHBondContact O-N 3.24Å; G151-L155 VanDerWaalsContact O-N 3.09Å; C152-L155 PolarHBondContact O-N 3.4Å; D153-L155 PolarHBondContact O-N 2.74Å; L155-L158 WeakPolarHBondContact O-CB 3.47Å; L155-L158 PolarHBondContact O-N 2.99Å; L155-E159 WeakPolarHBondContact O-CG 3.35Å; L155-E159 PolarHBondContact O-N 2.83Å; L155-R267 HydrophobicContact CD2-CG 4.4Å; L155-L368 HydrophobicContact CD1-CB 4.06Å; L155-L372 HydrophobicContact CB-CD2 4.11Å; L155-L372 HydrophobicContact CD1-CD2 4.4Å
156T95.5Very high94.6Very high57 Ų5739 Ų3935%0.3521%0.21SC..Hα-helixtrans-64.8-44.7179.3-560000111.7C152 D153 L154 L158 E159 H160C152-T156 PolarHBondContact O-N 2.86Å; C152-T156 PolarHBondContact O-OG1 3.03Å; D153-T156 WeakPolarHBondContact O-CA 3.27Å; D153-T156 WeakPolarHBondContact O-CB 2.97Å; D153-T156 PolarHBondContact O-N 3.32Å; L154-T156 VanDerWaalsContact C-N 3.27Å; L154-T156 PolarHBondContact O-N 3.07Å; T156-L158 VanDerWaalsContact C-N 3.3Å; T156-L158 PolarHBondContact O-N 2.91Å; T156-E159 PolarHBondContact O-N 2.81Å; T156-H160 PolarHBondContact O-N 3.45Å; T156-H160 PolarHBondContact O-ND1 3.29Å
157S95.3Very high94.8Very high7 Ų736.8 Ų36.85%0.04921%0.212CC..Hα-helixtrans-61.3-39.6174.6-55.70000111.6D153 L154 H160 Y161 F395D153-S157 PolarHBondContact O-N 2.86Å; D153-S157 PolarHBondContact O-OG 3.1Å; L154-S157 PolarHBondContact O-N 3.1Å; S157-H160 PolarHBondContact O-N 3.22Å; S157-Y161 PolarHBondContact O-N 2.93Å; S157-F395 PolarHBondContact OG-O 2.71Å
158L96.6Very high95Very high0 Ų038.6 Ų38.60%024%0.237CC..Hα-helixtrans-64.1-43.2174.1-177.262.2000112L154 L155 T156 H160 Y161 V162 L299 L371 L372 I375 L392L154-L158 WeakPolarHBondContact O-CB 3.41Å; L154-L158 PolarHBondContact O-N 3.46Å; L155-L158 WeakPolarHBondContact O-CB 3.47Å; L155-L158 PolarHBondContact O-N 2.99Å; T156-L158 VanDerWaalsContact C-N 3.3Å; T156-L158 PolarHBondContact O-N 2.91Å; L158-H160 VanDerWaalsContact C-N 3.34Å; L158-H160 PolarHBondContact O-N 3.5Å; L158-Y161 HydrophobicContact CD1-CD1 4.35Å; L158-Y161 PolarHBondContact O-N 3.33Å; L158-V162 HydrophobicContact CD1-CG2 4.24Å; L158-V162 WeakPolarHBondContact O-CG2 3.4Å; L158-V162 PolarHBondContact O-N 3.08Å; L158-L299 HydrophobicContact CD1-CD1 4.11Å; L158-L299 HydrophobicContact CD1-CD2 4.17Å; L158-L371 HydrophobicContact CD1-CD2 3.84Å; L158-L371 HydrophobicContact CD1-CG 4.4Å; L158-L371 HydrophobicContact CD2-CB 4.09Å; L158-L371 HydrophobicContact CD2-CD2 4.03Å; L158-L371 HydrophobicContact CD2-CG 4.11Å; L158-L371 HydrophobicContact CG-CD2 4.3Å; L158-L372 HydrophobicContact CD2-CB 4.33Å; L158-I375 HydrophobicContact CD1-CD1 3.99Å; L158-I375 HydrophobicContact CD2-CD1 4.06Å; L158-L392 HydrophobicContact CD1-CD2 4.3Å
159E96.5Very high95.2Very high28 Ų2835.7 Ų35.713%0.13122%0.224CC..Hα-helixtrans-57.3-47.1174.4-70.2-165.516100110.9L155 T156 Y161 V162 L163 I243 R267 L368L155-E159 WeakPolarHBondContact O-CG 3.35Å; L155-E159 PolarHBondContact O-N 2.83Å; T156-E159 PolarHBondContact O-N 2.81Å; E159-Y161 PolarHBondContact O-N 3.33Å; E159-V162 PolarHBondContact O-N 2.98Å; E159-L163 VanDerWaalsContact O-CB 3.27Å; E159-L163 WeakPolarHBondContact O-CB 3.48Å; E159-L163 WeakPolarHBondContact O-CG 3.43Å; E159-L163 PolarHBondContact O-N 2.83Å; E159-I243 HydrophobicContact CB-CD1 3.81Å; E159-I243 HydrophobicContact CG-CD1 3.79Å; E159-R267 WeakPolarHBondContact OE1-CD 3.48Å; E159-R267 WeakPolarHBondContact OE1-CG 3.49Å; E159-R267 IonicContact OE1-CZ 3.68Å; E159-R267 IonicContact OE1-NE 3.59Å; E159-R267 IonicContact OE1-NH1 3.86Å; E159-R267 PolarHBondContact OE1-NH1 3.28Å; E159-R267 IonicContact OE2-NH1 2.77Å; E159-R267 PolarHBondContact OE2-NH1 2.87Å; E159-R267 VanDerWaalsContact OE2-NH1 3.14Å; E159-L368 HydrophobicContact CG-CD1 3.82Å
160H95.9Very high95.3Very high91 Ų9142.5 Ų42.542%0.42124%0.243SC..Hα-helixtrans-62.6-40.9177.7-70.8139.6000113.6T156 S157 L158 S164 F395T156-H160 PolarHBondContact O-N 3.45Å; T156-H160 PolarHBondContact O-ND1 3.29Å; S157-H160 PolarHBondContact O-N 3.22Å; L158-H160 VanDerWaalsContact C-N 3.34Å; L158-H160 PolarHBondContact O-N 3.5Å; H160-S164 WeakPolarHBondContact O-CB 3.49Å; H160-S164 PolarHBondContact O-N 2.92Å; H160-S164 PolarHBondContact O-OG 3.11Å; H160-F395 HydrophobicContact CB-CD1 3.72Å; H160-F395 HydrophobicContact CB-CE1 4.05Å; H160-F395 HydrophobicContact CB-CG 4.33Å
161Y96.4Very high95.6Very high19 Ų1939.2 Ų39.28%0.07523%0.231CC..Hα-helixtrans-61-51.9176167.5-109.6000111.3S157 L158 E159 L163 S164 M165 M295 D298 L299 C391 L392 F395S157-Y161 PolarHBondContact O-N 2.93Å; L158-Y161 HydrophobicContact CD1-CD1 4.35Å; L158-Y161 PolarHBondContact O-N 3.33Å; E159-Y161 PolarHBondContact O-N 3.33Å; Y161-L163 PolarHBondContact O-N 3.4Å; Y161-S164 WeakPolarHBondContact O-CB 3.43Å; Y161-S164 PolarHBondContact O-N 2.95Å; Y161-M165 PolarHBondContact O-N 3.37Å; Y161-M295 HydrophobicContact CE1-CG 3.85Å; Y161-D298 WeakPolarHBondContact OH-CB 3.47Å; Y161-D298 PolarHBondContact OH-OD2 3.18Å; Y161-L299 HydrophobicContact CD1-CD2 4.36Å; Y161-L299 HydrophobicContact CE1-CD1 4.28Å; Y161-L299 HydrophobicContact CE1-CD2 4.23Å; Y161-L299 HydrophobicContact CE1-CG 4.11Å; Y161-C391 HydrophobicContact CD2-CB 4.27Å; Y161-C391 HydrophobicContact CE2-CB 3.93Å; Y161-L392 HydrophobicContact CD1-CD2 4.3Å; Y161-L392 HydrophobicContact CG-CD2 4.1Å; Y161-F395 HydrophobicContact CD2-CE2 4.15Å
162V96.5Very high95.9Very high0 Ų042.6 Ų42.60%026%0.255CS..Hα-helixtrans-67.5-38.9-178.1-172.20000110.7L158 E159 S164 M165 F166 L269 M295 I366 L368L158-V162 HydrophobicContact CD1-CG2 4.24Å; L158-V162 WeakPolarHBondContact O-CG2 3.4Å; L158-V162 PolarHBondContact O-N 3.08Å; E159-V162 PolarHBondContact O-N 2.98Å; V162-S164 VanDerWaalsContact C-N 3.32Å; V162-S164 PolarHBondContact O-N 3.41Å; V162-M165 HydrophobicContact CG1-CE 4.05Å; V162-M165 PolarHBondContact O-N 2.94Å; V162-F166 HydrophobicContact CG1-CD2 3.87Å; V162-F166 HydrophobicContact CG1-CE2 3.82Å; V162-F166 WeakPolarHBondContact O-CD2 3.34Å; V162-F166 PolarHBondContact O-N 3.28Å; V162-F166 VanDerWaalsContact O-N 3.1Å; V162-L269 HydrophobicContact CB-CD1 4.34Å; V162-L269 HydrophobicContact CG1-CB 4.37Å; V162-L269 HydrophobicContact CG1-CD1 3.56Å; V162-L269 HydrophobicContact CG1-CD2 4.26Å; V162-L269 HydrophobicContact CG1-CG 4.27Å; V162-M295 HydrophobicContact CG1-SD 4.36Å; V162-M295 HydrophobicContact CG2-SD 3.93Å; V162-I366 HydrophobicContact CG1-CD1 4.42Å; V162-L368 HydrophobicContact CG2-CD2 4.12Å
163L96.1Very high96Very high40 Ų4045.1 Ų45.121%0.20927%0.265CS..Hα-helixtrans-56-47.1172.8-80173.6000111.6E159 Y161 M165 F166 A167 L173 F241 I243E159-L163 VanDerWaalsContact O-CB 3.27Å; E159-L163 WeakPolarHBondContact O-CB 3.48Å; E159-L163 WeakPolarHBondContact O-CG 3.43Å; E159-L163 PolarHBondContact O-N 2.83Å; Y161-L163 PolarHBondContact O-N 3.4Å; L163-M165 VanDerWaalsContact C-N 3.33Å; L163-M165 PolarHBondContact O-N 2.81Å; L163-F166 PolarHBondContact O-N 2.85Å; L163-A167 WeakPolarHBondContact O-CB 3.4Å; L163-A167 PolarHBondContact O-N 3.04Å; L163-L173 HydrophobicContact CD2-CD1 4.26Å; L163-F241 HydrophobicContact CD2-CE2 3.6Å; L163-F241 HydrophobicContact CD2-CZ 4.24Å; L163-I243 HydrophobicContact CD1-CD1 4.5Å; L163-I243 HydrophobicContact CD1-CG2 4.45Å; L163-I243 HydrophobicContact CD2-CB 4.32Å; L163-I243 HydrophobicContact CD2-CD1 4.35Å; L163-I243 HydrophobicContact CD2-CG2 3.8Å; L163-I243 HydrophobicContact CG-CD1 4.1Å; L163-I243 HydrophobicContact CG-CG2 4.41Å
164S95.8Very high96.2Very high64 Ų6442.7 Ų42.745%0.44825%0.251SS..Hα-helixtrans-62.3-40.7179.4-62.20000111.8H160 Y161 V162 A167 G168H160-S164 WeakPolarHBondContact O-CB 3.49Å; H160-S164 PolarHBondContact O-N 2.92Å; H160-S164 PolarHBondContact O-OG 3.11Å; Y161-S164 WeakPolarHBondContact O-CB 3.43Å; Y161-S164 PolarHBondContact O-N 2.95Å; V162-S164 VanDerWaalsContact C-N 3.32Å; V162-S164 PolarHBondContact O-N 3.41Å; S164-A167 PolarHBondContact O-N 2.81Å; S164-G168 PolarHBondContact O-N 2.83Å
165M96.3Very high96.2Very high21 Ų2148.1 Ų48.110%0.10329%0.289CS..Hα-helixtrans-62-43.8177.2-177.1-177.263.100112.3Y161 V162 L163 S169 M295Y161-M165 PolarHBondContact O-N 3.37Å; V162-M165 HydrophobicContact CG1-CE 4.05Å; V162-M165 PolarHBondContact O-N 2.94Å; L163-M165 VanDerWaalsContact C-N 3.33Å; L163-M165 PolarHBondContact O-N 2.81Å; M165-S169 WeakPolarHBondContact O-CB 3.46Å; M165-S169 PolarHBondContact O-N 2.92Å; M165-S169 VanDerWaalsContact O-N 3.12Å; M165-S169 PolarHBondContact O-OG 3.5Å; M165-M295 HydrophobicContact CE-CB 3.89Å; M165-M295 HydrophobicContact CE-CG 4.1Å; M165-M295 HydrophobicContact CE-SD 4.21Å; M165-M295 HydrophobicContact SD-CB 3.85Å; M165-M295 HydrophobicContact SD-CG 4.42Å
166F97.4Very high96.1Very high0 Ų047.8 Ų47.80%029%0.288CS..Hα-helixtrans-73.7-38179.4-84.8-96.9000112.7V162 L163 S169 K170 F171 F241 L269 A271 L291 L364 I366V162-F166 HydrophobicContact CG1-CD2 3.87Å; V162-F166 HydrophobicContact CG1-CE2 3.82Å; V162-F166 WeakPolarHBondContact O-CD2 3.34Å; V162-F166 PolarHBondContact O-N 3.28Å; V162-F166 VanDerWaalsContact O-N 3.1Å; L163-F166 PolarHBondContact O-N 2.85Å; F166-S169 CarbonylContact O-C 3.54Å; F166-S169 WeakPolarHBondContact O-CA 3.44Å; F166-S169 WeakPolarHBondContact O-CB 3.02Å; F166-S169 PolarHBondContact O-N 3.27Å; F166-S169 VanDerWaalsContact O-N 3.12Å; F166-K170 PolarHBondContact O-N 2.83Å; F166-F171 HydrophobicContact CB-CB 4.48Å; F166-F171 HydrophobicContact CD1-CB 4.44Å; F166-F171 HydrophobicContact CD1-CD1 4.14Å; F166-F171 AromaticContact CD1-CD2 3.95Å; F166-F171 HydrophobicContact CD1-CD2 3.95Å; F166-F171 HydrophobicContact CD1-CE1 4.42Å; F166-F171 HydrophobicContact CD1-CE2 4.21Å; F166-F171 AromaticContact CD1-CG 3.92Å; F166-F171 HydrophobicContact CD1-CG 3.92Å; F166-F171 HydrophobicContact CD1-CZ 4.46Å; F166-F171 HydrophobicContact CE1-CE1 4.5Å; F166-F171 HydrophobicContact CE1-CZ 4.45Å; F166-F171 PolarHBondContact O-N 3.19Å; F166-F171 VanDerWaalsContact O-N 3.17Å; F166-F241 HydrophobicContact CB-CD1 4.43Å; F166-F241 HydrophobicContact CB-CD2 3.64Å; F166-F241 HydrophobicContact CB-CE1 4.35Å; F166-F241 HydrophobicContact CB-CE2 3.55Å; F166-F241 HydrophobicContact CB-CG 4.07Å; F166-F241 HydrophobicContact CB-CZ 3.93Å; F166-F241 HydrophobicContact CD1-CB 4.2Å; F166-F241 HydrophobicContact CD1-CD2 4.35Å; F166-F241 HydrophobicContact CD1-CG 4.34Å; F166-F241 HydrophobicContact CG-CD2 4.06Å; F166-F241 HydrophobicContact CG-CE2 4.4Å; F166-F241 HydrophobicContact CG-CG 4.45Å; F166-L269 HydrophobicContact CD1-CD2 4.27Å; F166-L269 HydrophobicContact CD2-CD1 4Å; F166-L269 HydrophobicContact CD2-CD2 3.77Å; F166-L269 HydrophobicContact CE1-CD2 3.9Å; F166-L269 HydrophobicContact CE2-CD1 4.32Å; F166-L269 HydrophobicContact CE2-CD2 3.33Å; F166-L269 HydrophobicContact CE2-CG 4.46Å; F166-L269 HydrophobicContact CG-CD1 4.43Å; F166-L269 HydrophobicContact CG-CD2 4.21Å; F166-L269 HydrophobicContact CZ-CD2 3.4Å; F166-A271 HydrophobicContact CD1-CB 4.27Å; F166-A271 HydrophobicContact CE1-CB 3.66Å; F166-L291 HydrophobicContact CE1-CD1 4.32Å; F166-L364 HydrophobicContact CE1-CD2 3.93Å; F166-L364 HydrophobicContact CZ-CD2 3.56Å; F166-I366 HydrophobicContact CE2-CD1 3.92Å; F166-I366 HydrophobicContact CZ-CD1 4.04Å
167A95.1Very high95.9Very high58 Ų5848.8 Ų48.848%0.47930%0.295SS..Hα-helixtrans-60.3-47.4172.500000111.3L163 S164 S169 K170L163-A167 WeakPolarHBondContact O-CB 3.4Å; L163-A167 PolarHBondContact O-N 3.04Å; S164-A167 PolarHBondContact O-N 2.81Å; A167-S169 PolarHBondContact O-N 3.09Å; A167-K170 PolarHBondContact O-N 3.4Å
168G96.4Very high95.8Very high68 Ų6851.6 Ų51.670%0.70131%0.308SS*.Hα-helixtrans-60.7-25.7174.200000113.6S164 K170S164-G168 PolarHBondContact O-N 2.83Å; G168-K170 VanDerWaalsContact C-N 3.26Å; G168-K170 PolarHBondContact O-N 3.29Å
169S96.8Very high95.6Very high18 Ų1854.7 Ų54.713%0.12632%0.324CS..THydrogen-bonded Turntrans-85.910.1176.6-600000114.1M165 F166 A167 F171 L291M165-S169 WeakPolarHBondContact O-CB 3.46Å; M165-S169 PolarHBondContact O-N 2.92Å; M165-S169 VanDerWaalsContact O-N 3.12Å; M165-S169 PolarHBondContact O-OG 3.5Å; F166-S169 CarbonylContact O-C 3.54Å; F166-S169 WeakPolarHBondContact O-CA 3.44Å; F166-S169 WeakPolarHBondContact O-CB 3.02Å; F166-S169 PolarHBondContact O-N 3.27Å; F166-S169 VanDerWaalsContact O-N 3.12Å; A167-S169 PolarHBondContact O-N 3.09Å; S169-F171 VanDerWaalsContact C-N 3.35Å; S169-F171 PolarHBondContact O-N 3.28Å; S169-L291 VanDerWaalsContact OG-CD2 3.31Å; S169-L291 WeakPolarHBondContact OG-CD2 3.37Å
170K96Very high95.3Very high179 Ų17953.7 Ų53.778%0.77832%0.32SS*.THydrogen-bonded Turntrans61.435.6179.4-52.2-177.9-179.8-177.90113.6F166 A167 G168F166-K170 PolarHBondContact O-N 2.83Å; A167-K170 PolarHBondContact O-N 3.4Å; G168-K170 VanDerWaalsContact C-N 3.26Å; G168-K170 PolarHBondContact O-N 3.29Å
171F97.6Very high94.9Very high11 Ų1156.7 Ų56.75%0.04833%0.327CS..PPolyproline II helixtrans-83.5144.9166.1-76.4-109.6000110.1F166 S169 K239 F241 A271 V273 F287 L288 L291F166-F171 HydrophobicContact CB-CB 4.48Å; F166-F171 HydrophobicContact CD1-CB 4.44Å; F166-F171 HydrophobicContact CD1-CD1 4.14Å; F166-F171 AromaticContact CD1-CD2 3.95Å; F166-F171 HydrophobicContact CD1-CD2 3.95Å; F166-F171 HydrophobicContact CD1-CE1 4.42Å; F166-F171 HydrophobicContact CD1-CE2 4.21Å; F166-F171 AromaticContact CD1-CG 3.92Å; F166-F171 HydrophobicContact CD1-CG 3.92Å; F166-F171 HydrophobicContact CD1-CZ 4.46Å; F166-F171 HydrophobicContact CE1-CE1 4.5Å; F166-F171 HydrophobicContact CE1-CZ 4.45Å; F166-F171 PolarHBondContact O-N 3.19Å; F166-F171 VanDerWaalsContact O-N 3.17Å; S169-F171 VanDerWaalsContact C-N 3.35Å; S169-F171 PolarHBondContact O-N 3.28Å; F171-K239 HydrophobicContact CB-CB 4.45Å; F171-K239 HydrophobicContact CD1-CB 3.59Å; F171-K239 HydrophobicContact CD2-CB 4.3Å; F171-K239 HydrophobicContact CD2-CD 4.17Å; F171-K239 HydrophobicContact CE1-CB 3.74Å; F171-K239 HydrophobicContact CE1-CD 4.43Å; F171-K239 HydrophobicContact CE1-CG 4.29Å; F171-K239 HydrophobicContact CE2-CB 4.45Å; F171-K239 HydrophobicContact CE2-CD 3.91Å; F171-K239 HydrophobicContact CG-CB 3.87Å; F171-K239 HydrophobicContact CZ-CB 4.18Å; F171-K239 HydrophobicContact CZ-CD 4.03Å; F171-K239 HydrophobicContact CZ-CG 4.32Å; F171-F241 HydrophobicContact CB-CB 4.25Å; F171-F241 HydrophobicContact CB-CD1 3.35Å; F171-F241 HydrophobicContact CB-CE1 3.85Å; F171-F241 HydrophobicContact CB-CG 4.01Å; F171-F241 HydrophobicContact CD1-CB 4.13Å; F171-F241 HydrophobicContact CG-CD1 4.43Å; F171-F241 WeakPolarHBondContact O-CE1 3.48Å; F171-A271 HydrophobicContact CD1-CB 4.14Å; F171-A271 HydrophobicContact CE1-CB 3.81Å; F171-V273 HydrophobicContact CE1-CG2 3.75Å; F171-V273 HydrophobicContact CZ-CG2 3.98Å; F171-F287 AromaticContact CE2-CE1 3.87Å; F171-F287 HydrophobicContact CE2-CE1 3.87Å; F171-F287 HydrophobicContact CE2-CZ 4.37Å; F171-F287 HydrophobicContact CZ-CE1 4.16Å; F171-L288 HydrophobicContact CE1-CD2 4.34Å; F171-L288 HydrophobicContact CZ-CD2 3.7Å; F171-L291 HydrophobicContact CE2-CD1 3.96Å; F171-L291 HydrophobicContact CZ-CD1 4.42Å
172S96.9Very high94.5Very high71 Ų7155.9 Ų55.950%0.49732%0.324SS..EExtended strand (participates in β ladder)trans-91.1121.4173.5-59.50000109.8K239 L240 F241S172-K239 PolarHBondContact N-O 2.94Å; S172-L240 WeakPolarHBondContact O-CA 3.43Å; S172-F241 VanDerWaalsContact C-CD1 3.49Å; S172-F241 WeakPolarHBondContact O-CD1 3.32Å; S172-F241 PolarHBondContact O-N 2.96Å
173L97.2Very high93.9Very high104 Ų10457.3 Ų57.355%0.54534%0.336SS..EExtended strand (participates in β ladder)trans-69.8133.7176.7-177.663.8000109.4L163 F241L163-L173 HydrophobicContact CD2-CD1 4.26Å; L173-F241 CarbonylContact C-O 3.52Å; L173-F241 VanDerWaalsContact CA-CE1 3.43Å; L173-F241 WeakPolarHBondContact CA-O 3.45Å; L173-F241 HydrophobicContact CB-CD1 4.23Å; L173-F241 HydrophobicContact CB-CE1 3.59Å; L173-F241 HydrophobicContact CB-CZ 3.88Å; L173-F241 HydrophobicContact CD1-CD1 4.41Å; L173-F241 HydrophobicContact CD1-CD2 4.2Å; L173-F241 HydrophobicContact CD1-CE1 4.12Å; L173-F241 HydrophobicContact CD1-CE2 3.87Å; L173-F241 HydrophobicContact CD1-CG 4.48Å; L173-F241 HydrophobicContact CD1-CZ 3.83Å; L173-F241 HydrophobicContact CG-CE1 4.45Å; L173-F241 HydrophobicContact CG-CZ 4.38Å; L173-F241 VanDerWaalsContact N-CE1 3.29Å
174I96.5Very high93.6Very high42 Ų4256 Ų5622%0.21533%0.33CS..  trans-127.9156.1172.367.6161.7000110.3P176 Y221 L224 L240 F241 S242I174-P176 WeakPolarHBondContact O-CD 3.37Å; I174-Y221 HydrophobicContact CD1-CD1 3.61Å; I174-Y221 HydrophobicContact CD1-CE1 3.32Å; I174-Y221 HydrophobicContact CG1-CE1 3.94Å; I174-L224 HydrophobicContact CD1-CD2 4.5Å; I174-L240 HydrophobicContact CD1-CB 4.47Å; I174-L240 HydrophobicContact CD1-CD1 4.46Å; I174-L240 HydrophobicContact CG2-CD2 4.11Å; I174-F241 WeakPolarHBondContact CG1-O 3.27Å; I174-F241 PolarHBondContact N-O 3.18Å; I174-S242 VanDerWaalsContact O-CB 3.28Å; I174-S242 WeakPolarHBondContact O-CB 3.37Å
175S94.4Very high93.2Very high117 Ų11753.4 Ų53.482%0.81831%0.311SS*.  trans-110.294.8169.4-173.10000108.8
176P92.2Very high92.6Very high8 Ų857.3 Ų57.35%0.05233%0.329CS..  trans-76155.3179.627.1-28.9000112.1I174 P220 S242I174-P176 WeakPolarHBondContact O-CD 3.37Å; P176-P220 HydrophobicContact CB-CB 3.33Å; P176-P220 HydrophobicContact CB-CG 4.08Å; P176-P220 HydrophobicContact CG-CB 4.33Å; P176-S242 VanDerWaalsContact CD-CB 3.47Å
177P92.8Very high91.9Very high78 Ų7857.5 Ų57.551%0.50633%0.33SS..  trans-66.5147.7168.130.1-35.5000110.9L179 P220P177-L179 VanDerWaalsContact C-N 3.34Å; P177-P220 HydrophobicContact CG-CB 4.42Å; P177-P220 VanDerWaalsContact O-CG 3.25Å; P177-P220 WeakPolarHBondContact O-CG 3.46Å
178H92.4Very high91Very high67 Ų6755 Ų5531%0.3131%0.31SS..SBendtrans-82.9-14.2176.6-67.770.5000113.1L213 V214 G215 H216H178-L213 HydrophobicContact CB-CD1 4.27Å; H178-V214 WeakPolarHBondContact O-CG2 3.45Å; H178-V214 PolarHBondContact O-N 2.81Å; H178-G215 PolarHBondContact O-N 3.3Å; H178-G215 VanDerWaalsContact O-N 3.08Å; H178-H216 AromaticContact CE1-NE2 3.61Å; H178-H216 AromaticContact NE2-CD2 3.54Å; H178-H216 AromaticContact NE2-NE2 3.53Å
179L92.3Very high90Very high65 Ų6552 Ų5234%0.3428%0.278SS..EExtended strand (participates in β ladder)trans-116.5134.2-179.3-68.8164.9000109.6P177 I198 L211 C212 L213P177-L179 VanDerWaalsContact C-N 3.34Å; L179-I198 HydrophobicContact CD1-CD1 4.12Å; L179-I198 HydrophobicContact CD2-CD1 3.64Å; L179-I198 HydrophobicContact CD2-CG1 4.42Å; L179-L211 HydrophobicContact CD2-CB 4.43Å; L179-C212 WeakPolarHBondContact CA-O 3.41Å; L179-L213 HydrophobicContact CD2-CB 4.01Å; L179-L213 HydrophobicContact CD2-CD1 4.14Å
180V90.5Very high88.8Confident7 Ų752.5 Ų52.54%0.04228%0.284CS..EExtended strand (participates in β ladder)trans-132.3159.2174-61.70000109.9V185 L211 C212 V214 P220 A223V180-V185 HydrophobicContact CG2-CG2 3.63Å; V180-L211 CarbonylContact O-C 3.49Å; V180-L211 WeakPolarHBondContact O-CA 3.25Å; V180-C212 PolarHBondContact N-O 3.31Å; V180-C212 PolarHBondContact O-N 3.34Å; V180-V214 HydrophobicContact CB-CG2 4.31Å; V180-V214 HydrophobicContact CG1-CG2 3.84Å; V180-V214 HydrophobicContact CG2-CB 4.24Å; V180-V214 HydrophobicContact CG2-CG1 3.55Å; V180-V214 HydrophobicContact CG2-CG2 3.65Å; V180-P220 HydrophobicContact CG1-CB 4.47Å; V180-P220 HydrophobicContact CG1-CG 4.24Å; V180-A223 HydrophobicContact CG1-CB 4.05Å
181R88.1Confident87.2Confident154 Ų15450.6 Ų50.658%0.58128%0.282SS*.EExtended strand (participates in β ladder)trans-69.4143.5174.3-64.8-175.7-177.9-141.10.7110.9A183 V184 S210 L211R181-A183 PolarHBondContact O-N 2.77Å; R181-A183 VanDerWaalsContact O-N 3.12Å; R181-V184 WeakPolarHBondContact O-CB 3.4Å; R181-V184 PolarHBondContact O-N 2.91Å; R181-S210 CarbonylContact C-O 3.6Å; R181-S210 WeakPolarHBondContact CA-O 3.48Å; R181-L211 HydrophobicContact CG-CD2 4.11Å
182A86.3Confident85Confident1 Ų153.5 Ų53.51%0.00830%0.303CS..Hα-helixtrans-54.6-32.7178.500000113.1V184 V185 H186 S210A182-V184 PolarHBondContact O-N 2.96Å; A182-V184 VanDerWaalsContact O-N 3.13Å; A182-V185 WeakPolarHBondContact O-CA 3.12Å; A182-V185 WeakPolarHBondContact O-CB 3.35Å; A182-V185 PolarHBondContact O-N 3.07Å; A182-H186 PolarHBondContact O-N 3.16Å; A182-H186 PolarHBondContact O-ND1 3.25Å; A182-H186 VanDerWaalsContact O-ND1 3.1Å; A182-S210 VanDerWaalsContact CB-OG 3.3Å; A182-S210 WeakPolarHBondContact CB-OG 3.39Å; A182-S210 PolarHBondContact N-O 3.39Å
183A84.7Confident83.2Confident30 Ų3057 Ų5725%0.24832%0.316CS..Hα-helixtrans-52.7-33.4172.900000114.2R181 E208R181-A183 PolarHBondContact O-N 2.77Å; R181-A183 VanDerWaalsContact O-N 3.12Å; A183-E208 HydrophobicContact CB-CB 4.25Å; A183-E208 PolarHBondContact N-O 2.59Å
184V89.3Confident81.7Confident12 Ų1253.7 Ų53.77%0.07330%0.302CS..Hα-helixtrans-77.9-35.1176.9-178.40000110.8R181 A182 T187 Y219 L222 A223 L349R181-V184 WeakPolarHBondContact O-CB 3.4Å; R181-V184 PolarHBondContact O-N 2.91Å; A182-V184 PolarHBondContact O-N 2.96Å; A182-V184 VanDerWaalsContact O-N 3.13Å; V184-T187 WeakPolarHBondContact O-CB 3.35Å; V184-T187 WeakPolarHBondContact O-CG2 3.2Å; V184-T187 PolarHBondContact O-OG1 2.86Å; V184-Y219 HydrophobicContact CG1-CD1 4.41Å; V184-L222 HydrophobicContact CG1-CB 3.76Å; V184-A223 HydrophobicContact CG1-CB 4.36Å; V184-A223 HydrophobicContact CG2-CB 4.27Å; V184-L349 HydrophobicContact CG1-CD1 4.39Å
185V87.9Confident80.7Confident11 Ų1153.1 Ų53.17%0.06730%0.298CS..Hα-helixtrans-68.6-42-179.4-176.60000111.5V180 A182 T187 H195 C212 V214 Y219V180-V185 HydrophobicContact CG2-CG2 3.63Å; A182-V185 WeakPolarHBondContact O-CA 3.12Å; A182-V185 WeakPolarHBondContact O-CB 3.35Å; A182-V185 PolarHBondContact O-N 3.07Å; V185-T187 PolarHBondContact O-N 2.67Å; V185-H195 VanDerWaalsContact CG1-CD2 3.48Å; V185-H195 WeakPolarHBondContact CG1-CD2 3.3Å; V185-C212 HydrophobicContact CG2-CB 4.1Å; V185-V214 HydrophobicContact CG2-CG1 3.97Å; V185-Y219 HydrophobicContact CB-CD1 4.5Å; V185-Y219 HydrophobicContact CB-CE1 4.28Å; V185-Y219 HydrophobicContact CG1-CE1 4.16Å; V185-Y219 HydrophobicContact CG2-CD1 4.36Å; V185-Y219 HydrophobicContact CG2-CG 4.47Å
186H84.7Confident80Confident102 Ų10251.8 Ų51.847%0.47228%0.281SS..THydrogen-bonded Turntrans-68.96.6-179.7-62.9136.7000115A182 G188A182-H186 PolarHBondContact O-N 3.16Å; A182-H186 PolarHBondContact O-ND1 3.25Å; A182-H186 VanDerWaalsContact O-ND1 3.1Å; H186-G188 PolarHBondContact O-N 2.68Å
187T82.3Confident79.4Confident5 Ų554.4 Ų54.43%0.03130%0.299CS..THydrogen-bonded Turntrans-65.4-19173.652.80000113.3V184 V185 K348 L349V184-T187 WeakPolarHBondContact O-CB 3.35Å; V184-T187 WeakPolarHBondContact O-CG2 3.2Å; V184-T187 PolarHBondContact O-OG1 2.86Å; V185-T187 PolarHBondContact O-N 2.67Å; T187-K348 HydrophobicContact CG2-CB 4.42Å; T187-K348 WeakPolarHBondContact O-CD 3.49Å; T187-K348 PolarHBondContact O-NZ 3.2Å; T187-L349 HydrophobicContact CG2-CD1 3.9Å; T187-L349 HydrophobicContact CG2-CD2 3.56Å; T187-L349 HydrophobicContact CG2-CG 3.65Å
188G76.4Confident78.8Confident4 Ų454.8 Ų54.84%0.04130%0.296CS..THydrogen-bonded Turntrans87.419.8-178.500000113.6H186 A190 A316H186-G188 PolarHBondContact O-N 2.68Å; G188-A190 PolarHBondContact O-N 2.6Å; G188-A316 WeakPolarHBondContact O-CB 3.34Å; G188-A316 PolarHBondContact O-N 3.31Å; G188-A316 VanDerWaalsContact O-N 3.16Å
189A74.4Confident77.7Confident5 Ų559.9 Ų59.94%0.04132%0.32CS..SBendtrans-66.8-23.7174.100000112.9I218 Y219 L222 Y341 L345A189-I218 HydrophobicContact CB-CG2 3.86Å; A189-Y219 HydrophobicContact CB-CD1 4.49Å; A189-Y219 HydrophobicContact CB-CE1 3.76Å; A189-L222 HydrophobicContact CB-CD1 4.3Å; A189-Y341 HydrophobicContact CB-CE1 4.49Å; A189-Y341 PolarHBondContact O-OH 2.88Å; A189-L345 HydrophobicContact CB-CD1 4.36Å; A189-L345 HydrophobicContact CB-CD2 3.85Å
190A72.3Confident76.1Confident30 Ų3062.5 Ų62.525%0.24833%0.334CS..SBendtrans-135.1174.9168.400000110.3G188 Y219G188-A190 PolarHBondContact O-N 2.6Å; A190-Y219 HydrophobicContact CB-CE2 4.46Å; A190-Y219 WeakPolarHBondContact CB-OH 3.45Å; A190-Y219 PolarHBondContact N-OH 3.12Å
191L61.6Low74.5Confident139 Ų13968.4 Ų68.473%0.72838%0.376SS*.  trans-64.3137.2172.3-66.9164.3000109.5D193L191-D193 VanDerWaalsContact C-N 3.26Å; L191-D193 PolarHBondContact O-N 2.85Å
192S52.1Low72.9Confident71 Ų7165.8 Ų65.850%0.49738%0.381SS..THydrogen-bonded Turntrans-69.5-8.6-153.2-55.90000116.9
193D58.3Low71.1Confident146 Ų14669.1 Ų69.178%0.78140%0.404SS*.THydrogen-bonded Turntrans-118.412.2-172.2-60.9-32.5000114.6L191 H195L191-D193 VanDerWaalsContact C-N 3.26Å; L191-D193 PolarHBondContact O-N 2.85Å; D193-H195 VanDerWaalsContact C-N 3.35Å; D193-H195 PolarHBondContact O-N 2.93Å
194S66.2Low69.3Low34 Ų3476.1 Ų76.124%0.23844%0.437CS..  trans-82.3-2.4-169.667.70000115.8N249S194-N249 VanDerWaalsContact O-CB 3.29Å; S194-N249 WeakPolarHBondContact O-CB 3.32Å; S194-N249 PolarHBondContact O-N 2.82Å
195H76.2Confident67.2Low30 Ų3080.3 Ų80.314%0.13947%0.466CS..SBendtrans-118.6138.8-167.6-59-69.9000113.2V185 D193 C197 C212 Y219V185-H195 VanDerWaalsContact CG1-CD2 3.48Å; V185-H195 WeakPolarHBondContact CG1-CD2 3.3Å; D193-H195 VanDerWaalsContact C-N 3.35Å; D193-H195 PolarHBondContact O-N 2.93Å; H195-C197 PolarHBondContact O-N 3.28Å; H195-C212 HydrophobicContact CB-CB 4.31Å; H195-Y219 AromaticContact CE1-CE2 3.52Å; H195-Y219 AromaticContact NE2-CE2 3.22Å; H195-Y219 WeakPolarHBondContact NE2-CE2 3.5Å; H195-Y219 AromaticContact NE2-CZ 3.65Å; H195-Y219 PolarHBondContact NE2-OH 3.12Å
196L79.1Confident65.6Low89 Ų8985.2 Ų85.247%0.46651%0.507SS..EExtended strand (participates in β ladder)trans-75.2117.1172.2-71.4166.7000109.3C212 L213 N249L196-C212 CarbonylContact O-C 3.55Å; L196-C212 WeakPolarHBondContact O-CA 3.21Å; L196-L213 HydrophobicContact CB-CB 4.31Å; L196-L213 HydrophobicContact CD1-CD2 4.36Å; L196-L213 PolarHBondContact O-N 3.12Å; L196-N249 HydrophobicContact CG-CB 4.28Å
197C80Confident64.4Low63 Ų6383 Ų8343%0.42650%0.499SS..EExtended strand (participates in β ladder)trans-103.9129.6176.4-58.70000111.4H195 Q199 L211 C212H195-C197 PolarHBondContact O-N 3.28Å; C197-Q199 PolarHBondContact O-N 3.42Å; C197-L211 CarbonylContact C-O 3.6Å; C197-L211 WeakPolarHBondContact CA-O 3.48Å; C197-C212 HydrophobicContact CB-CB 4.19Å; C197-C212 WeakPolarHBondContact CB-SG 3.28Å; C197-C212 WeakPolarHBondContact SG-CB 3.07Å; C197-C212 CovalentContact SG-SG 2.08Å; C197-C212 PolarHBondContact SG-SG 2.96Å
198I79.8Confident63.5Low86 Ų8686.4 Ų86.444%0.44152%0.515SS..EExtended strand (participates in β ladder)trans-77107.1174.1-54.4176.9000106.9L179 L211L179-I198 HydrophobicContact CD1-CD1 4.12Å; L179-I198 HydrophobicContact CD2-CD1 3.64Å; L179-I198 HydrophobicContact CD2-CG1 4.42Å; I198-L211 PolarHBondContact N-O 2.93Å
199Q68.9Low62.9Low173 Ų17392.3 Ų92.381%0.80854%0.541SS*.  trans-77.6124.9171.2-70.9-174.8-5.500109.3C197 S201C197-Q199 PolarHBondContact O-N 3.42Å; Q199-S201 PolarHBondContact O-N 3.26Å
200N59.8Low63.2Low120 Ų12093.4 Ų93.464%0.64255%0.548SS*.  trans-71.6122.5164.2-91.3-11.4000107.7S202 C203N200-S202 PolarHBondContact O-N 3.45Å; N200-C203 PolarHBondContact O-N 2.86Å
201S55.2Low64Low131 Ų13195.4 Ų95.492%0.91655%0.554SS**THydrogen-bonded Turntrans-56.9-7.9-179.947.60000114.9Q199Q199-S201 PolarHBondContact O-N 3.26Å
202S56.2Low65.3Low100 Ų10088.8 Ų88.870%0.69952%0.52SS*.THydrogen-bonded Turntrans-99.7-3.8-178.557.20000115.8N200N200-S202 PolarHBondContact O-N 3.45Å
203C48.6Very low67.2Low71 Ų7187.3 Ų87.348%0.4851%0.506SS..  trans-126.5108.1-178.2-80.60000112.5N200 C205N200-C203 PolarHBondContact O-N 2.86Å; C203-C205 PolarHBondContact O-N 3.16Å
204N47.1Very low68.7Low177 Ų17780.5 Ų80.595%0.94747%0.47SS*.  trans-73.85.5176.3-79.5-11.2000115
205C44.2Very low69.9Low100 Ų10078.9 Ų78.968%0.67646%0.459SS*.SBendtrans-104.2139.2172.7-90.60000109C203 D207C203-C205 PolarHBondContact O-N 3.16Å; C205-D207 WeakPolarHBondContact O-CB 3.48Å; C205-D207 PolarHBondContact O-N 3.12Å
206A53.9Low70.8Confident113 Ų11377.9 Ų77.993%0.93445%0.454SS*.  trans-61.871.4167.100000110.1
207D59.1Low71.4Confident55 Ų5574.4 Ų74.429%0.29444%0.437SS..  trans-82.9137.9-162.3-150-0.2000109.1C205 Q209 S210C205-D207 WeakPolarHBondContact O-CB 3.48Å; C205-D207 PolarHBondContact O-N 3.12Å; D207-Q209 HydrophobicContact CB-CB 4.37Å; D207-Q209 PolarHBondContact O-N 3.06Å; D207-Q209 PolarHBondContact OD2-NE2 3.2Å; D207-S210 WeakPolarHBondContact O-CB 3.26Å; D207-S210 PolarHBondContact O-N 2.67Å; D207-S210 PolarHBondContact O-OG 3.4Å
208E63.4Low72.1Confident78 Ų7871.7 Ų71.736%0.36442%0.418SS..THydrogen-bonded Turntrans-58.5-9.2173.1-70.8-173.6171.400112.9M1 A183M1-E208 VanDerWaalsContact CE-OE2 3.3Å; M1-E208 WeakPolarHBondContact CE-OE2 3.1Å; M1-E208 WeakPolarHBondContact CG-OE2 3.41Å; A183-E208 HydrophobicContact CB-CB 4.25Å; A183-E208 PolarHBondContact N-O 2.59Å
209Q65.2Low72.8Confident127 Ų12767.9 Ų67.959%0.59340%0.398SS*.THydrogen-bonded Turntrans-82.1-12.7175.2-54.5-167.739.900113.9D207D207-Q209 HydrophobicContact CB-CB 4.37Å; D207-Q209 PolarHBondContact O-N 3.06Å; D207-Q209 PolarHBondContact OD2-NE2 3.2Å
210S80.2Confident74Confident29 Ų2959.7 Ų59.720%0.20336%0.36CS..  trans-60.7147176.559.40000111.1R181 A182 D207R181-S210 CarbonylContact C-O 3.6Å; R181-S210 WeakPolarHBondContact CA-O 3.48Å; A182-S210 VanDerWaalsContact CB-OG 3.3Å; A182-S210 WeakPolarHBondContact CB-OG 3.39Å; A182-S210 PolarHBondContact N-O 3.39Å; D207-S210 WeakPolarHBondContact O-CB 3.26Å; D207-S210 PolarHBondContact O-N 2.67Å; D207-S210 PolarHBondContact O-OG 3.4Å
211L88.5Confident75.8Confident71 Ų7154 Ų5437%0.37233%0.33SS..EExtended strand (participates in β ladder)trans-96.2130.3176.2-68175.8000108.6L179 V180 R181 C197 I198L179-L211 HydrophobicContact CD2-CB 4.43Å; V180-L211 CarbonylContact O-C 3.49Å; V180-L211 WeakPolarHBondContact O-CA 3.25Å; R181-L211 HydrophobicContact CG-CD2 4.11Å; C197-L211 CarbonylContact C-O 3.6Å; C197-L211 WeakPolarHBondContact CA-O 3.48Å; I198-L211 PolarHBondContact N-O 2.93Å
212C89.4Confident77.7Confident1 Ų147.8 Ų47.81%0.00729%0.286CS..EExtended strand (participates in β ladder)trans-111.7134.6175.9-55.20000110.1L179 V180 V185 H195 L196 C197 V214L179-C212 WeakPolarHBondContact CA-O 3.41Å; V180-C212 PolarHBondContact N-O 3.31Å; V180-C212 PolarHBondContact O-N 3.34Å; V185-C212 HydrophobicContact CG2-CB 4.1Å; H195-C212 HydrophobicContact CB-CB 4.31Å; L196-C212 CarbonylContact O-C 3.55Å; L196-C212 WeakPolarHBondContact O-CA 3.21Å; C197-C212 HydrophobicContact CB-CB 4.19Å; C197-C212 WeakPolarHBondContact CB-SG 3.28Å; C197-C212 WeakPolarHBondContact SG-CB 3.07Å; C197-C212 CovalentContact SG-SG 2.08Å; C197-C212 PolarHBondContact SG-SG 2.96Å; C212-V214 HydrophobicContact CB-CG1 4.42Å; C212-V214 PolarHBondContact O-N 2.81Å
213L91Very high79.4Confident40 Ų4044.8 Ų44.821%0.20927%0.268CS..EExtended strand (participates in β ladder)trans-76.4106.3175.1-17966.8000108.3H178 L179 L196 Y247H178-L213 HydrophobicContact CB-CD1 4.27Å; L179-L213 HydrophobicContact CD2-CB 4.01Å; L179-L213 HydrophobicContact CD2-CD1 4.14Å; L196-L213 HydrophobicContact CB-CB 4.31Å; L196-L213 HydrophobicContact CD1-CD2 4.36Å; L196-L213 PolarHBondContact O-N 3.12Å; L213-Y247 HydrophobicContact CD1-CD2 3.96Å; L213-Y247 HydrophobicContact CD1-CE2 3.63Å; L213-Y247 HydrophobicContact CD2-CD1 3.98Å; L213-Y247 HydrophobicContact CD2-CD2 3.98Å; L213-Y247 HydrophobicContact CD2-CE1 4.15Å; L213-Y247 HydrophobicContact CD2-CE2 4.16Å; L213-Y247 HydrophobicContact CD2-CG 3.89Å; L213-Y247 HydrophobicContact CG-CD2 3.63Å; L213-Y247 HydrophobicContact CG-CE2 3.85Å; L213-Y247 HydrophobicContact CG-CG 4.01Å
214V90.4Very high81.6Confident3 Ų345 Ų452%0.01826%0.264CS..  trans-115.9-14-175.2-63.70000112.6H178 V180 V185 C212 S217 Y219 P220H178-V214 WeakPolarHBondContact O-CG2 3.45Å; H178-V214 PolarHBondContact O-N 2.81Å; V180-V214 HydrophobicContact CB-CG2 4.31Å; V180-V214 HydrophobicContact CG1-CG2 3.84Å; V180-V214 HydrophobicContact CG2-CB 4.24Å; V180-V214 HydrophobicContact CG2-CG1 3.55Å; V180-V214 HydrophobicContact CG2-CG2 3.65Å; V185-V214 HydrophobicContact CG2-CG1 3.97Å; C212-V214 HydrophobicContact CB-CG1 4.42Å; C212-V214 PolarHBondContact O-N 2.81Å; V214-S217 WeakPolarHBondContact CB-OG 3.37Å; V214-S217 WeakPolarHBondContact O-CB 3.28Å; V214-S217 PolarHBondContact O-OG 2.85Å; V214-Y219 HydrophobicContact CB-CD2 4.04Å; V214-Y219 HydrophobicContact CG1-CD2 3.87Å; V214-Y219 HydrophobicContact CG1-CG 4.31Å; V214-P220 HydrophobicContact CG2-CG 3.91Å
215G91.9Very high83.8Confident0 Ų037.2 Ų37.20%022%0.222CC..  trans54.7-145.1-177.800000113.3H178 S217 P220 N245H178-G215 PolarHBondContact O-N 3.3Å; H178-G215 VanDerWaalsContact O-N 3.08Å; G215-S217 PolarHBondContact O-N 2.98Å; G215-P220 WeakPolarHBondContact O-CG 3.47Å; G215-N245 CarbonylContact C-O 3.57Å; G215-N245 WeakPolarHBondContact CA-O 3.32Å
216H93.8Very high86.1Confident9 Ų933.7 Ų33.74%0.04220%0.197CC..SBendtrans-81.487.2174.3-75-105.7000110.4H178 S242 I243 G244 N245 T246 T270H178-H216 AromaticContact CE1-NE2 3.61Å; H178-H216 AromaticContact NE2-CD2 3.54Å; H178-H216 AromaticContact NE2-NE2 3.53Å; H216-S242 PolarHBondContact ND1-OG 3.1Å; H216-I243 PolarHBondContact CE1-O 3.18Å; H216-I243 VanDerWaalsContact ND1-C 3.3Å; H216-I243 PolarHBondContact ND1-O 3.37Å; H216-I243 PolarHBondContact NE2-O 3.43Å; H216-G244 VanDerWaalsContact CD2-C 3.43Å; H216-G244 VanDerWaalsContact CD2-CA 3.4Å; H216-G244 WeakPolarHBondContact CD2-CA 3.42Å; H216-G244 PolarHBondContact ND1-N 3.09Å; H216-G244 WeakPolarHBondContact NE2-CA 3.44Å; H216-N245 PolarHBondContact CD2-N 3.06Å; H216-N245 PolarHBondContact N-O 3.38Å; H216-T246 HydrophobicContact CB-CG2 4.25Å; H216-T246 WeakPolarHBondContact O-CG2 3.37Å; H216-T270 HydrophobicContact CB-CG2 4.37Å; H216-T270 WeakPolarHBondContact O-CG2 3.41Å
217S93.1Very high87.8Confident15 Ų1536.5 Ų36.511%0.10518%0.184CC..SBendtrans-134.7-168.5-179.957.70000110.8V214 G215 Y219 P220 Y221 Y363V214-S217 WeakPolarHBondContact CB-OG 3.37Å; V214-S217 WeakPolarHBondContact O-CB 3.28Å; V214-S217 PolarHBondContact O-OG 2.85Å; G215-S217 PolarHBondContact O-N 2.98Å; S217-Y219 VanDerWaalsContact C-N 3.3Å; S217-Y219 WeakPolarHBondContact OG-CD2 3.22Å; S217-P220 WeakPolarHBondContact O-CD 3.28Å; S217-Y221 VanDerWaalsContact O-CD2 3.22Å; S217-Y221 WeakPolarHBondContact O-CD2 3.48Å; S217-Y221 VanDerWaalsContact O-CE2 3.28Å; S217-Y221 WeakPolarHBondContact O-CE2 3.34Å; S217-Y363 VanDerWaalsContact C-OH 3.24Å; S217-Y363 VanDerWaalsContact CA-OH 3.28Å; S217-Y363 WeakPolarHBondContact CA-OH 3.44Å
218I94.7Very high89.3Confident7 Ų740.8 Ų40.84%0.03620%0.196CC..Hα-helixtrans-66.8-31.8174.2-168.3169.7000112.5A189 Y221 L222 F272 Y341 L345 Y363A189-I218 HydrophobicContact CB-CG2 3.86Å; I218-Y221 WeakPolarHBondContact O-CB 3.14Å; I218-Y221 PolarHBondContact O-N 3.42Å; I218-Y221 VanDerWaalsContact O-N 3.15Å; I218-L222 HydrophobicContact CG1-CD1 4.18Å; I218-L222 HydrophobicContact CG1-CD2 4.47Å; I218-L222 HydrophobicContact CG1-CG 4.1Å; I218-L222 HydrophobicContact CG2-CD1 4.48Å; I218-L222 WeakPolarHBondContact O-CG 3.33Å; I218-L222 PolarHBondContact O-N 3.48Å; I218-F272 HydrophobicContact CD1-CE2 4.25Å; I218-F272 HydrophobicContact CG1-CD2 4.31Å; I218-F272 HydrophobicContact CG1-CE2 4.17Å; I218-Y341 HydrophobicContact CD1-CD2 3.84Å; I218-Y341 HydrophobicContact CD1-CE1 4.37Å; I218-Y341 HydrophobicContact CD1-CE2 3.31Å; I218-L345 HydrophobicContact CD1-CD1 3.66Å; I218-Y363 HydrophobicContact CB-CD1 4.3Å; I218-Y363 HydrophobicContact CB-CD2 3.82Å; I218-Y363 HydrophobicContact CB-CE1 4.19Å; I218-Y363 HydrophobicContact CB-CE2 3.72Å; I218-Y363 HydrophobicContact CB-CG 4.11Å; I218-Y363 HydrophobicContact CD1-CD1 4.48Å; I218-Y363 HydrophobicContact CD1-CD2 4.22Å; I218-Y363 HydrophobicContact CD1-CG 3.97Å; I218-Y363 HydrophobicContact CG1-CD2 3.86Å; I218-Y363 HydrophobicContact CG1-CE2 4.25Å; I218-Y363 HydrophobicContact CG1-CG 4.11Å; I218-Y363 PolarHBondContact N-OH 3.38Å
219Y94.5Very high90.7Very high5 Ų539.6 Ų39.62%0.0220%0.196CC..Hα-helixtrans-64.8-37.7-167.7-56.8-74.8000115.5V184 V185 A189 A190 H195 V214 S217 Y221 L222 A223V184-Y219 HydrophobicContact CG1-CD1 4.41Å; V185-Y219 HydrophobicContact CB-CD1 4.5Å; V185-Y219 HydrophobicContact CB-CE1 4.28Å; V185-Y219 HydrophobicContact CG1-CE1 4.16Å; V185-Y219 HydrophobicContact CG2-CD1 4.36Å; V185-Y219 HydrophobicContact CG2-CG 4.47Å; A189-Y219 HydrophobicContact CB-CD1 4.49Å; A189-Y219 HydrophobicContact CB-CE1 3.76Å; A190-Y219 HydrophobicContact CB-CE2 4.46Å; A190-Y219 WeakPolarHBondContact CB-OH 3.45Å; A190-Y219 PolarHBondContact N-OH 3.12Å; H195-Y219 AromaticContact CE1-CE2 3.52Å; H195-Y219 AromaticContact NE2-CE2 3.22Å; H195-Y219 WeakPolarHBondContact NE2-CE2 3.5Å; H195-Y219 AromaticContact NE2-CZ 3.65Å; H195-Y219 PolarHBondContact NE2-OH 3.12Å; V214-Y219 HydrophobicContact CB-CD2 4.04Å; V214-Y219 HydrophobicContact CG1-CD2 3.87Å; V214-Y219 HydrophobicContact CG1-CG 4.31Å; S217-Y219 VanDerWaalsContact C-N 3.3Å; S217-Y219 WeakPolarHBondContact OG-CD2 3.22Å; Y219-Y221 VanDerWaalsContact C-N 3.31Å; Y219-Y221 PolarHBondContact O-N 3.33Å; Y219-L222 HydrophobicContact CD1-CD1 4.22Å; Y219-L222 WeakPolarHBondContact O-CB 3.4Å; Y219-L222 PolarHBondContact O-N 3.17Å; Y219-A223 WeakPolarHBondContact O-CB 3.37Å; Y219-A223 PolarHBondContact O-N 3.2Å
220P94.7Very high91.9Very high2 Ų234.6 Ų34.61%0.01317%0.173CC..Hα-helixtrans-63.4-34.8174.5-24.735.2000113.7P176 P177 V180 V214 G215 S217 L222 A223 L224P176-P220 HydrophobicContact CB-CB 3.33Å; P176-P220 HydrophobicContact CB-CG 4.08Å; P176-P220 HydrophobicContact CG-CB 4.33Å; P177-P220 HydrophobicContact CG-CB 4.42Å; P177-P220 VanDerWaalsContact O-CG 3.25Å; P177-P220 WeakPolarHBondContact O-CG 3.46Å; V180-P220 HydrophobicContact CG1-CB 4.47Å; V180-P220 HydrophobicContact CG1-CG 4.24Å; V214-P220 HydrophobicContact CG2-CG 3.91Å; G215-P220 WeakPolarHBondContact O-CG 3.47Å; S217-P220 WeakPolarHBondContact O-CD 3.28Å; P220-L222 VanDerWaalsContact C-N 3.34Å; P220-A223 PolarHBondContact O-N 3.48Å; P220-L224 WeakPolarHBondContact O-CB 3.36Å; P220-L224 PolarHBondContact O-N 3.01Å
221Y95.7Very high92.2Very high0 Ų036.4 Ų36.40%019%0.186CC..Hα-helixtrans-63.8-43.2172.8-60.3-81.5000111.2I174 S217 I218 Y219 L224 L225 L240 S242 T270 F272 Y363I174-Y221 HydrophobicContact CD1-CD1 3.61Å; I174-Y221 HydrophobicContact CD1-CE1 3.32Å; I174-Y221 HydrophobicContact CG1-CE1 3.94Å; S217-Y221 VanDerWaalsContact O-CD2 3.22Å; S217-Y221 WeakPolarHBondContact O-CD2 3.48Å; S217-Y221 VanDerWaalsContact O-CE2 3.28Å; S217-Y221 WeakPolarHBondContact O-CE2 3.34Å; I218-Y221 WeakPolarHBondContact O-CB 3.14Å; I218-Y221 PolarHBondContact O-N 3.42Å; I218-Y221 VanDerWaalsContact O-N 3.15Å; Y219-Y221 VanDerWaalsContact C-N 3.31Å; Y219-Y221 PolarHBondContact O-N 3.33Å; Y221-L224 WeakPolarHBondContact O-CB 3.47Å; Y221-L224 PolarHBondContact O-N 3.02Å; Y221-L225 WeakPolarHBondContact O-CG 3.35Å; Y221-L225 PolarHBondContact O-N 3.46Å; Y221-L240 HydrophobicContact CD1-CB 4.11Å; Y221-L240 HydrophobicContact CD1-CD1 4.18Å; Y221-L240 HydrophobicContact CE1-CB 3.75Å; Y221-S242 WeakPolarHBondContact OH-CB 3.36Å; Y221-S242 PolarHBondContact OH-N 2.94Å; Y221-S242 VanDerWaalsContact OH-N 3.07Å; Y221-S242 PolarHBondContact OH-OG 3.4Å; Y221-S242 VanDerWaalsContact OH-OG 3.1Å; Y221-T270 WeakPolarHBondContact CE2-OG1 3.45Å; Y221-T270 PolarHBondContact OH-O 2.99Å; Y221-T270 PolarHBondContact OH-OG1 2.85Å; Y221-F272 HydrophobicContact CD1-CB 3.54Å; Y221-F272 HydrophobicContact CD1-CD1 4.26Å; Y221-F272 HydrophobicContact CD1-CG 4.13Å; Y221-F272 HydrophobicContact CD2-CB 3.95Å; Y221-F272 HydrophobicContact CD2-CG 4.4Å; Y221-F272 HydrophobicContact CE1-CB 3.82Å; Y221-F272 HydrophobicContact CE2-CB 4.22Å; Y221-F272 HydrophobicContact CG-CB 3.6Å; Y221-F272 HydrophobicContact CG-CD1 4.18Å; Y221-F272 AromaticContact CG-CG 3.88Å; Y221-F272 HydrophobicContact CG-CG 3.88Å; Y221-Y363 HydrophobicContact CD2-CE2 4.41Å; Y221-Y363 HydrophobicContact CE2-CE2 4.21Å
222L95.2Very high91.9Very high0 Ų042.7 Ų42.70%021%0.21CC..Hα-helixtrans-61.5-45.9176.1-64.5-178.5000111.4V184 A189 I218 Y219 P220 L224 L225 T226 F272 L345 L349 M351V184-L222 HydrophobicContact CG1-CB 3.76Å; A189-L222 HydrophobicContact CB-CD1 4.3Å; I218-L222 HydrophobicContact CG1-CD1 4.18Å; I218-L222 HydrophobicContact CG1-CD2 4.47Å; I218-L222 HydrophobicContact CG1-CG 4.1Å; I218-L222 HydrophobicContact CG2-CD1 4.48Å; I218-L222 WeakPolarHBondContact O-CG 3.33Å; I218-L222 PolarHBondContact O-N 3.48Å; Y219-L222 HydrophobicContact CD1-CD1 4.22Å; Y219-L222 WeakPolarHBondContact O-CB 3.4Å; Y219-L222 PolarHBondContact O-N 3.17Å; P220-L222 VanDerWaalsContact C-N 3.34Å; L222-L224 VanDerWaalsContact C-N 3.3Å; L222-L224 PolarHBondContact O-N 3.11Å; L222-L225 PolarHBondContact O-N 3.37Å; L222-T226 WeakPolarHBondContact O-CB 3.4Å; L222-T226 PolarHBondContact O-N 2.93Å; L222-T226 PolarHBondContact O-OG1 2.62Å; L222-F272 HydrophobicContact CD2-CE2 4.41Å; L222-F272 HydrophobicContact CD2-CZ 4.12Å; L222-L345 HydrophobicContact CD1-CD1 4.16Å; L222-L345 HydrophobicContact CD1-CD2 4.33Å; L222-L345 HydrophobicContact CD2-CB 4.04Å; L222-L345 HydrophobicContact CD2-CD1 3.97Å; L222-L349 HydrophobicContact CB-CD1 3.58Å; L222-L349 HydrophobicContact CD1-CD1 4.13Å; L222-L349 HydrophobicContact CD2-CD1 4.13Å; L222-L349 HydrophobicContact CG-CD1 4.15Å; L222-M351 HydrophobicContact CD2-CE 3.57Å; L222-M351 HydrophobicContact CD2-SD 4.05Å
223A93.4Very high91.7Very high37 Ų3752.1 Ų52.131%0.30625%0.251SS..Hα-helixtrans-60.2-40.1177.400000111.8V180 V184 Y219 P220 L225V180-A223 HydrophobicContact CG1-CB 4.05Å; V184-A223 HydrophobicContact CG1-CB 4.36Å; V184-A223 HydrophobicContact CG2-CB 4.27Å; Y219-A223 WeakPolarHBondContact O-CB 3.37Å; Y219-A223 PolarHBondContact O-N 3.2Å; P220-A223 PolarHBondContact O-N 3.48Å; A223-L225 PolarHBondContact O-N 3.08Å
224L93.4Very high91.5Very high76 Ų7655 Ų5540%0.39827%0.265SS..Hα-helixtrans-60.6-32.6178.1178.663.7000113.2I174 P220 Y221 L222 R228 L240I174-L224 HydrophobicContact CD1-CD2 4.5Å; P220-L224 WeakPolarHBondContact O-CB 3.36Å; P220-L224 PolarHBondContact O-N 3.01Å; Y221-L224 WeakPolarHBondContact O-CB 3.47Å; Y221-L224 PolarHBondContact O-N 3.02Å; L222-L224 VanDerWaalsContact C-N 3.3Å; L222-L224 PolarHBondContact O-N 3.11Å; L224-R228 VanDerWaalsContact O-CD 3.32Å; L224-R228 WeakPolarHBondContact O-CD 3.45Å; L224-R228 PolarHBondContact O-NE 3.07Å; L224-R228 PolarHBondContact O-NH1 3.33Å; L224-R228 VanDerWaalsContact O-NH1 3.1Å; L224-L240 HydrophobicContact CD2-CD1 4.42Å
225L93.2Very high91.3Very high14 Ų1459 Ų597%0.07330%0.298CS..Hα-helixtrans-106.7-7.8-171.9-61.8165.9000113.5Y221 L222 A223 R227 R228 L230 F272 I274 M351 M359Y221-L225 WeakPolarHBondContact O-CG 3.35Å; Y221-L225 PolarHBondContact O-N 3.46Å; L222-L225 PolarHBondContact O-N 3.37Å; A223-L225 PolarHBondContact O-N 3.08Å; L225-R227 PolarHBondContact O-N 3.39Å; L225-R228 WeakPolarHBondContact O-CB 3.33Å; L225-R228 PolarHBondContact O-N 2.9Å; L225-L230 HydrophobicContact CD2-CD2 4.45Å; L225-F272 HydrophobicContact CD1-CD1 4.29Å; L225-F272 HydrophobicContact CD1-CE1 3.64Å; L225-I274 HydrophobicContact CD1-CD1 3.39Å; L225-I274 HydrophobicContact CD1-CG1 4.3Å; L225-I274 HydrophobicContact CD2-CD1 4.29Å; L225-I274 HydrophobicContact CG-CD1 4.48Å; L225-M351 HydrophobicContact CB-CB 4.35Å; L225-M351 HydrophobicContact CB-CG 4.11Å; L225-M351 HydrophobicContact CB-SD 3.59Å; L225-M351 VanDerWaalsContact CB-SD 3.59Å; L225-M351 HydrophobicContact CD1-SD 4.5Å; L225-M351 WeakPolarHBondContact O-CG 3.49Å; L225-M359 HydrophobicContact CD1-SD 4.2Å; L225-M359 HydrophobicContact CD2-CE 4.21Å
226T92.6Very high91.3Very high25 Ų2561.7 Ų61.715%0.15331%0.312CS..THydrogen-bonded Turntrans-54.9127.4179.8-70.50000110.8V2 L222 R228 L349V2-T226 HydrophobicContact CB-CG2 4.4Å; V2-T226 HydrophobicContact CG1-CG2 4.18Å; V2-T226 HydrophobicContact CG2-CG2 3.38Å; L222-T226 WeakPolarHBondContact O-CB 3.4Å; L222-T226 PolarHBondContact O-N 2.93Å; L222-T226 PolarHBondContact O-OG1 2.62Å; T226-R228 PolarHBondContact O-N 3.42Å; T226-L349 HydrophobicContact CG2-CD2 4.35Å
227R90.6Very high91.4Very high173 Ų17363.4 Ų63.465%0.65332%0.324SS*.THydrogen-bonded Turntrans57.626-177-59.1177.162.7-174.60.3114.7V2 L225 L349 R350V2-R227 HydrophobicContact CB-CG 4.41Å; V2-R227 HydrophobicContact CG1-CG 3.7Å; V2-R227 HydrophobicContact CG2-CG 4.11Å; L225-R227 PolarHBondContact O-N 3.39Å; R227-L349 PolarHBondContact N-O 2.86Å; R227-R350 WeakPolarHBondContact CA-O 3.27Å; R227-R350 PolarHBondContact N-O 3.23Å
228R91Very high91.5Very high144 Ų14463.7 Ų63.754%0.54332%0.324SS..  trans-109.9143.6176-63-171.1175.5176.7-7.4111.4L224 L225 T226 M352L224-R228 VanDerWaalsContact O-CD 3.32Å; L224-R228 WeakPolarHBondContact O-CD 3.45Å; L224-R228 PolarHBondContact O-NE 3.07Å; L224-R228 PolarHBondContact O-NH1 3.33Å; L224-R228 VanDerWaalsContact O-NH1 3.1Å; L225-R228 WeakPolarHBondContact O-CB 3.33Å; L225-R228 PolarHBondContact O-N 2.9Å; T226-R228 PolarHBondContact O-N 3.42Å; R228-M352 PolarHBondContact O-N 3.11Å
229S91.8Very high91.6Very high54 Ų5465.3 Ų65.338%0.37833%0.331SS..BIsolated β-bridgetrans-100.3139.5159.8-172.80000108.5M352S229-M352 CarbonylContact C-O 3.48Å; S229-M352 VanDerWaalsContact CA-O 3.22Å; S229-M352 WeakPolarHBondContact CA-O 3.37Å
230L90.9Very high91.8Very high21 Ų2166 Ų6611%0.1134%0.335CS..PPolyproline II helixtrans-64.8148.6170.9-57.6176.4000110L225 M234 L236 I238 I274 M352 C353 M359L225-L230 HydrophobicContact CD2-CD2 4.45Å; L230-M234 HydrophobicContact CB-SD 4.44Å; L230-M234 HydrophobicContact CD2-SD 3.94Å; L230-L236 HydrophobicContact CD1-CD2 3.88Å; L230-I238 HydrophobicContact CD1-CD1 3.61Å; L230-I238 HydrophobicContact CD2-CD1 3.75Å; L230-I238 HydrophobicContact CG-CD1 4.3Å; L230-I274 HydrophobicContact CD1-CG2 4.41Å; L230-M352 PolarHBondContact N-O 3.38Å; L230-C353 HydrophobicContact CD1-CB 4.5Å; L230-M359 HydrophobicContact CD1-CE 4.04Å; L230-M359 HydrophobicContact CD2-CE 3.64Å; L230-M359 HydrophobicContact CG-CE 3.59Å
231S86.9Confident92Very high67 Ų6766.1 Ų66.147%0.46934%0.335SS..PPolyproline II helixtrans-69.8142.8169174.10000109.4K233 M234S231-K233 PolarHBondContact O-N 2.82Å; S231-K233 PolarHBondContact OG-N 2.92Å; S231-M234 PolarHBondContact O-N 3.45Å
232K82.3Confident92Very high204 Ų20466.1 Ų66.189%0.88734%0.335SS*.THydrogen-bonded Turntrans-55.5-18.3172.9-66.2-175.2178.2-177.60113.5
233K84.8Confident92.1Very high198 Ų19867.7 Ų67.786%0.86134%0.343SS*.THydrogen-bonded Turntrans-81.3-14.3178.1-61.6-174.7179.7-177.10113.8S231 A235S231-K233 PolarHBondContact O-N 2.82Å; S231-K233 PolarHBondContact OG-N 2.92Å; K233-A235 PolarHBondContact O-N 2.91Å
234M86.5Confident92.3Very high101 Ų10166.2 Ų66.250%0.49833%0.332SS..SBendtrans-78.8122.5-178.9-66.7-169.710600110.1L230 S231 I238L230-M234 HydrophobicContact CB-SD 4.44Å; L230-M234 HydrophobicContact CD2-SD 3.94Å; S231-M234 PolarHBondContact O-N 3.45Å; M234-I238 HydrophobicContact CB-CD1 4.32Å; M234-I238 HydrophobicContact CE-CD1 4.12Å; M234-I238 HydrophobicContact SD-CD1 3.96Å
235A86.9Confident92.3Very high87 Ų8764.2 Ų64.272%0.71932%0.322SS*.PPolyproline II helixtrans-71.9131.1171.900000110K233K233-A235 PolarHBondContact O-N 2.91Å
236L91.5Very high92.2Very high57 Ų5764 Ų6430%0.29832%0.321SS..SBendtrans-100.1146.8172.6-73.3156.3000109.5L230 I238 I274 D276 C353L230-L236 HydrophobicContact CD1-CD2 3.88Å; L236-I238 HydrophobicContact CD2-CD1 4.39Å; L236-I238 HydrophobicContact CD2-CG1 4.12Å; L236-I274 HydrophobicContact CD2-CG2 4.2Å; L236-D276 HydrophobicContact CD1-CB 3.66Å; L236-C353 HydrophobicContact CD1-CB 4.49Å
237P95.5Very high92Very high44 Ų4465.6 Ų65.629%0.28633%0.325SS..SBendcis-71.7142-0.527.2-33.8000114V273 I274 L275P237-V273 HydrophobicContact CB-CG1 4.11Å; P237-I274 VanDerWaalsContact CA-O 3.26Å; P237-I274 WeakPolarHBondContact CA-O 3.49Å; P237-L275 HydrophobicContact CB-CD2 3.66Å; P237-L275 HydrophobicContact CG-CD2 4.42Å
238I95.9Very high91.5Very high21 Ų2160.6 Ų60.611%0.10832%0.315CS..EExtended strand (participates in β ladder)trans-83.2128.7166-63.4171000107.5L230 M234 L236 L240 V273 I274L230-I238 HydrophobicContact CD1-CD1 3.61Å; L230-I238 HydrophobicContact CD2-CD1 3.75Å; L230-I238 HydrophobicContact CG-CD1 4.3Å; M234-I238 HydrophobicContact CB-CD1 4.32Å; M234-I238 HydrophobicContact CE-CD1 4.12Å; M234-I238 HydrophobicContact SD-CD1 3.96Å; L236-I238 HydrophobicContact CD2-CD1 4.39Å; L236-I238 HydrophobicContact CD2-CG1 4.12Å; I238-L240 HydrophobicContact CG2-CD1 4.33Å; I238-L240 HydrophobicContact CG2-CD2 3.8Å; I238-L240 HydrophobicContact CG2-CG 3.84Å; I238-V273 WeakPolarHBondContact O-CA 3.4Å; I238-I274 HydrophobicContact CB-CB 4.18Å; I238-I274 HydrophobicContact CB-CD1 4.2Å; I238-I274 HydrophobicContact CG2-CD1 4.19Å; I238-I274 PolarHBondContact N-O 3.29Å; I238-I274 VanDerWaalsContact N-O 3.07Å; I238-I274 PolarHBondContact O-N 2.88Å
239K97.3Very high90.6Very high42 Ų4255.7 Ų55.718%0.18330%0.3CS..EExtended strand (participates in β ladder)trans-123108.3-178.5-62.3-176.9-172-177.90109.1F171 S172 V273F171-K239 HydrophobicContact CB-CB 4.45Å; F171-K239 HydrophobicContact CD1-CB 3.59Å; F171-K239 HydrophobicContact CD2-CB 4.3Å; F171-K239 HydrophobicContact CD2-CD 4.17Å; F171-K239 HydrophobicContact CE1-CB 3.74Å; F171-K239 HydrophobicContact CE1-CD 4.43Å; F171-K239 HydrophobicContact CE1-CG 4.29Å; F171-K239 HydrophobicContact CE2-CB 4.45Å; F171-K239 HydrophobicContact CE2-CD 3.91Å; F171-K239 HydrophobicContact CG-CB 3.87Å; F171-K239 HydrophobicContact CZ-CB 4.18Å; F171-K239 HydrophobicContact CZ-CD 4.03Å; F171-K239 HydrophobicContact CZ-CG 4.32Å; S172-K239 PolarHBondContact N-O 2.94Å; K239-V273 HydrophobicContact CG-CG1 4.34Å; K239-V273 HydrophobicContact CG-CG2 4.33Å
240L97.7Very high89.4Confident18 Ų1857.1 Ų57.19%0.09430%0.303CS..EExtended strand (participates in β ladder)trans-112.2146.5179.9-53.5178.2000109.5S172 I174 Y221 L224 I238 A271 F272S172-L240 WeakPolarHBondContact O-CA 3.43Å; I174-L240 HydrophobicContact CD1-CB 4.47Å; I174-L240 HydrophobicContact CD1-CD1 4.46Å; I174-L240 HydrophobicContact CG2-CD2 4.11Å; Y221-L240 HydrophobicContact CD1-CB 4.11Å; Y221-L240 HydrophobicContact CD1-CD1 4.18Å; Y221-L240 HydrophobicContact CE1-CB 3.75Å; L224-L240 HydrophobicContact CD2-CD1 4.42Å; I238-L240 HydrophobicContact CG2-CD1 4.33Å; I238-L240 HydrophobicContact CG2-CD2 3.8Å; I238-L240 HydrophobicContact CG2-CG 3.84Å; L240-A271 CarbonylContact O-C 3.5Å; L240-A271 VanDerWaalsContact O-CA 3.27Å; L240-A271 WeakPolarHBondContact O-CA 3.4Å; L240-F272 PolarHBondContact N-O 3.45Å; L240-F272 PolarHBondContact O-N 3.16Å
241F98.1Very high87.8Confident5 Ų560.2 Ų60.22%0.02232%0.32CS..EExtended strand (participates in β ladder)trans-143.9158.5170.281.1-65.5000111.3L163 F166 F171 S172 L173 I174 L269 T270 A271L163-F241 HydrophobicContact CD2-CE2 3.6Å; L163-F241 HydrophobicContact CD2-CZ 4.24Å; F166-F241 HydrophobicContact CB-CD1 4.43Å; F166-F241 HydrophobicContact CB-CD2 3.64Å; F166-F241 HydrophobicContact CB-CE1 4.35Å; F166-F241 HydrophobicContact CB-CE2 3.55Å; F166-F241 HydrophobicContact CB-CG 4.07Å; F166-F241 HydrophobicContact CB-CZ 3.93Å; F166-F241 HydrophobicContact CD1-CB 4.2Å; F166-F241 HydrophobicContact CD1-CD2 4.35Å; F166-F241 HydrophobicContact CD1-CG 4.34Å; F166-F241 HydrophobicContact CG-CD2 4.06Å; F166-F241 HydrophobicContact CG-CE2 4.4Å; F166-F241 HydrophobicContact CG-CG 4.45Å; F171-F241 HydrophobicContact CB-CB 4.25Å; F171-F241 HydrophobicContact CB-CD1 3.35Å; F171-F241 HydrophobicContact CB-CE1 3.85Å; F171-F241 HydrophobicContact CB-CG 4.01Å; F171-F241 HydrophobicContact CD1-CB 4.13Å; F171-F241 HydrophobicContact CG-CD1 4.43Å; F171-F241 WeakPolarHBondContact O-CE1 3.48Å; S172-F241 VanDerWaalsContact C-CD1 3.49Å; S172-F241 WeakPolarHBondContact O-CD1 3.32Å; S172-F241 PolarHBondContact O-N 2.96Å; L173-F241 CarbonylContact C-O 3.52Å; L173-F241 VanDerWaalsContact CA-CE1 3.43Å; L173-F241 WeakPolarHBondContact CA-O 3.45Å; L173-F241 HydrophobicContact CB-CD1 4.23Å; L173-F241 HydrophobicContact CB-CE1 3.59Å; L173-F241 HydrophobicContact CB-CZ 3.88Å; L173-F241 HydrophobicContact CD1-CD1 4.41Å; L173-F241 HydrophobicContact CD1-CD2 4.2Å; L173-F241 HydrophobicContact CD1-CE1 4.12Å; L173-F241 HydrophobicContact CD1-CE2 3.87Å; L173-F241 HydrophobicContact CD1-CG 4.48Å; L173-F241 HydrophobicContact CD1-CZ 3.83Å; L173-F241 HydrophobicContact CG-CE1 4.45Å; L173-F241 HydrophobicContact CG-CZ 4.38Å; L173-F241 VanDerWaalsContact N-CE1 3.29Å; I174-F241 WeakPolarHBondContact CG1-O 3.27Å; I174-F241 PolarHBondContact N-O 3.18Å; F241-L269 HydrophobicContact CD2-CD1 3.84Å; F241-L269 HydrophobicContact CD2-CG 4.39Å; F241-L269 HydrophobicContact CE2-CD1 4.22Å; F241-T270 CarbonylContact C-O 3.42Å; F241-T270 WeakPolarHBondContact CA-O 3.4Å; F241-T270 WeakPolarHBondContact CB-O 3.32Å; F241-A271 HydrophobicContact CB-CB 4.04Å
242S97.4Very high86Confident0 Ų065.4 Ų65.40%034%0.336CS..EExtended strand (participates in β ladder)trans-148.9158.117880.20000109.9I174 P176 H216 Y221 L269 T270I174-S242 VanDerWaalsContact O-CB 3.28Å; I174-S242 WeakPolarHBondContact O-CB 3.37Å; P176-S242 VanDerWaalsContact CD-CB 3.47Å; H216-S242 PolarHBondContact ND1-OG 3.1Å; Y221-S242 WeakPolarHBondContact OH-CB 3.36Å; Y221-S242 PolarHBondContact OH-N 2.94Å; Y221-S242 VanDerWaalsContact OH-N 3.07Å; Y221-S242 PolarHBondContact OH-OG 3.4Å; Y221-S242 VanDerWaalsContact OH-OG 3.1Å; S242-L269 WeakPolarHBondContact O-CA 3.5Å; S242-T270 PolarHBondContact N-O 2.96Å; S242-T270 PolarHBondContact O-N 2.93Å; S242-T270 PolarHBondContact OG-OG1 3.48Å
243I97Very high84.6Confident33 Ų3360.2 Ų60.217%0.16932%0.318CS..EExtended strand (participates in β ladder)trans-135.9137.6177.9-167.9168.8000109.2E159 L163 H216 S268 L269 L368E159-I243 HydrophobicContact CB-CD1 3.81Å; E159-I243 HydrophobicContact CG-CD1 3.79Å; L163-I243 HydrophobicContact CD1-CD1 4.5Å; L163-I243 HydrophobicContact CD1-CG2 4.45Å; L163-I243 HydrophobicContact CD2-CB 4.32Å; L163-I243 HydrophobicContact CD2-CD1 4.35Å; L163-I243 HydrophobicContact CD2-CG2 3.8Å; L163-I243 HydrophobicContact CG-CD1 4.1Å; L163-I243 HydrophobicContact CG-CG2 4.41Å; H216-I243 PolarHBondContact CE1-O 3.18Å; H216-I243 VanDerWaalsContact ND1-C 3.3Å; H216-I243 PolarHBondContact ND1-O 3.37Å; H216-I243 PolarHBondContact NE2-O 3.43Å; I243-S268 WeakPolarHBondContact CA-O 3.31Å; I243-L269 HydrophobicContact CD1-CD1 4.44Å; I243-L269 HydrophobicContact CG1-CB 4.37Å; I243-L368 HydrophobicContact CD1-CD1 3.61Å; I243-L368 HydrophobicContact CG1-CD1 3.92Å
244G96.3Very high83Confident7 Ų756.5 Ų56.57%0.07231%0.307CS..EExtended strand (participates in β ladder)trans160.4-157.2177.200000112.3H216 R267 S268H216-G244 VanDerWaalsContact CD2-C 3.43Å; H216-G244 VanDerWaalsContact CD2-CA 3.4Å; H216-G244 WeakPolarHBondContact CD2-CA 3.42Å; H216-G244 PolarHBondContact ND1-N 3.09Å; H216-G244 WeakPolarHBondContact NE2-CA 3.44Å; G244-R267 CarbonylContact O-C 3.53Å; G244-R267 WeakPolarHBondContact O-CA 3.46Å; G244-S268 PolarHBondContact N-O 3.35Å; G244-S268 VanDerWaalsContact N-O 3.07Å; G244-S268 PolarHBondContact O-N 3.14Å
245N94.5Very high81.5Confident34 Ų3456.5 Ų56.518%0.18232%0.317CS..EExtended strand (participates in β ladder)trans-79.1133.4-170.1-65.9-20.9000112.4G215 H216 Y247 Q265 S266 R267G215-N245 CarbonylContact C-O 3.57Å; G215-N245 WeakPolarHBondContact CA-O 3.32Å; H216-N245 PolarHBondContact CD2-N 3.06Å; H216-N245 PolarHBondContact N-O 3.38Å; N245-Y247 HydrophobicContact CB-CE1 4.45Å; N245-Y247 HydrophobicContact CB-CE2 4.21Å; N245-Q265 HydrophobicContact CB-CG 4.42Å; N245-Q265 PolarHBondContact ND2-NE2 3.21Å; N245-S266 CarbonylContact C-O 3.59Å; N245-S266 VanDerWaalsContact CA-O 3.3Å; N245-S266 WeakPolarHBondContact CA-O 3.35Å; N245-R267 WeakPolarHBondContact OD1-CD 3.44Å; N245-R267 PolarHBondContact OD1-NE 2.93Å
246T91.8Very high80.1Confident10 Ų1056.6 Ų56.66%0.06130%0.301CS..EExtended strand (participates in β ladder)trans-108.2152165.240.80000110.3H216 Q265 S266 S268H216-T246 HydrophobicContact CB-CG2 4.25Å; H216-T246 WeakPolarHBondContact O-CG2 3.37Å; T246-Q265 WeakPolarHBondContact O-CA 3.31Å; T246-S266 PolarHBondContact N-O 3.29Å; T246-S266 PolarHBondContact O-N 3.44Å; T246-S266 PolarHBondContact OG1-O 3.12Å; T246-S266 VanDerWaalsContact OG1-O 3.1Å; T246-S266 PolarHBondContact OG1-OG 3.22Å; T246-S268 VanDerWaalsContact CG2-OG 3.31Å; T246-S268 WeakPolarHBondContact CG2-OG 3.46Å; T246-S268 PolarHBondContact OG1-OG 3.16Å
247Y88Confident79Confident58 Ų5859.6 Ų59.623%0.22732%0.317CS..EExtended strand (participates in β ladder)trans-128.2132-178.2-51.9-85.3000109.3L213 N245 R264 Q265L213-Y247 HydrophobicContact CD1-CD2 3.96Å; L213-Y247 HydrophobicContact CD1-CE2 3.63Å; L213-Y247 HydrophobicContact CD2-CD1 3.98Å; L213-Y247 HydrophobicContact CD2-CD2 3.98Å; L213-Y247 HydrophobicContact CD2-CE1 4.15Å; L213-Y247 HydrophobicContact CD2-CE2 4.16Å; L213-Y247 HydrophobicContact CD2-CG 3.89Å; L213-Y247 HydrophobicContact CG-CD2 3.63Å; L213-Y247 HydrophobicContact CG-CE2 3.85Å; L213-Y247 HydrophobicContact CG-CG 4.01Å; N245-Y247 HydrophobicContact CB-CE1 4.45Å; N245-Y247 HydrophobicContact CB-CE2 4.21Å; Y247-R264 CarbonylContact C-O 3.5Å; Y247-R264 VanDerWaalsContact CA-O 3.3Å; Y247-R264 WeakPolarHBondContact CA-O 3.35Å; Y247-Q265 HydrophobicContact CD1-CB 4.22Å; Y247-Q265 HydrophobicContact CD1-CG 4.01Å; Y247-Q265 HydrophobicContact CE1-CB 4.39Å; Y247-Q265 HydrophobicContact CE1-CG 3.74Å
248C78.9Confident78.2Confident67 Ų6759 Ų5945%0.45331%0.31SS..  trans-118.4122.5176-173.10000109.1R264C248-R264 PolarHBondContact N-O 3.47Å
249N73.3Confident77.8Confident42 Ų4258 Ų5823%0.22531%0.306CS..  trans-10323.7176.2-165.939.4000112.7S194 L196 L251S194-N249 VanDerWaalsContact O-CB 3.29Å; S194-N249 WeakPolarHBondContact O-CB 3.32Å; S194-N249 PolarHBondContact O-N 2.82Å; L196-N249 HydrophobicContact CG-CB 4.28Å; N249-L251 PolarHBondContact O-N 3.39Å
250D66.3Low77.5Confident84 Ų8456 Ų5645%0.44930%0.297SS..  trans-74.382.6-179.2-155-6.5000110.3Q252D250-Q252 PolarHBondContact O-N 3.4Å
251L56.8Low77.2Confident86 Ų8655.3 Ų55.345%0.4529%0.293SS..THydrogen-bonded Turntrans-71.9-6.8179.8-68.5172.7000112.3N249 N253 I254N249-L251 PolarHBondContact O-N 3.39Å; L251-N253 VanDerWaalsContact C-N 3.3Å; L251-N253 PolarHBondContact O-N 2.97Å; L251-I254 WeakPolarHBondContact O-CD1 3.32Å; L251-I254 WeakPolarHBondContact O-CG1 3.26Å
252Q50.3Low76.7Confident175 Ų17556.8 Ų56.882%0.81830%0.304SS*.THydrogen-bonded Turntrans-76.7-20.4-174.5-62-168.54.900112.8D250 I254D250-Q252 PolarHBondContact O-N 3.4Å; Q252-I254 PolarHBondContact O-N 3.19Å
253N51.9Low76.2Confident95 Ų9557.5 Ų57.551%0.50831%0.307SS..  trans-102.153.1-178.9-81-34.1000112.4L251 S255 F256L251-N253 VanDerWaalsContact C-N 3.3Å; L251-N253 PolarHBondContact O-N 2.97Å; N253-S255 PolarHBondContact O-N 3.43Å; N253-F256 HydrophobicContact CB-CD2 3.92Å; N253-F256 HydrophobicContact CB-CE2 4.01Å
254I52.1Low75.6Confident121 Ų12158.5 Ų58.562%0.62131%0.309SS*.THydrogen-bonded Turntrans-67.3-13.1179.1-43.3-178.1000111.9L251 Q252 F256L251-I254 WeakPolarHBondContact O-CD1 3.32Å; L251-I254 WeakPolarHBondContact O-CG1 3.26Å; Q252-I254 PolarHBondContact O-N 3.19Å; I254-F256 VanDerWaalsContact C-N 3.33Å; I254-F256 PolarHBondContact O-N 3.41Å
255S54.1Low75.4Confident101 Ų10163.2 Ų63.271%0.70633%0.329SS*.THydrogen-bonded Turntrans-81.1-2.4-172.762.50000115.5N253N253-S255 PolarHBondContact O-N 3.43Å
256F56.7Low75.2Confident88 Ų8862 Ų6239%0.38632%0.324SS..SBendtrans-98.7131.9-177.4-63.8-78.8000111.1N253 I254 E258 M331N253-F256 HydrophobicContact CB-CD2 3.92Å; N253-F256 HydrophobicContact CB-CE2 4.01Å; I254-F256 VanDerWaalsContact C-N 3.33Å; I254-F256 PolarHBondContact O-N 3.41Å; F256-E258 PolarHBondContact O-N 3.05Å; F256-M331 HydrophobicContact CE1-CE 4.16Å
257D70.2Confident75.4Confident120 Ų12065.5 Ų65.564%0.64234%0.336SS*.PPolyproline II helixtrans-54.1121.6167.2-75.8-40.8000108.9D259 S262D257-D259 PolarHBondContact O-N 2.93Å; D257-S262 PolarHBondContact O-OG 2.87Å
258E77.6Confident75.8Confident31 Ų3162.8 Ų62.815%0.14533%0.325CS..PPolyproline II helixtrans-63.9119.5178.6-71.2-161.712900110.8L138 F143 F256L138-E258 WeakPolarHBondContact CD1-O 3.13Å; F143-E258 WeakPolarHBondContact CA-OE1 3.46Å; F143-E258 VanDerWaalsContact CA-OE2 3.3Å; F143-E258 WeakPolarHBondContact CA-OE2 3.44Å; F143-E258 WeakPolarHBondContact CB-OE1 3.38Å; F143-E258 HydrophobicContact CD1-CG 4.37Å; F143-E258 WeakPolarHBondContact CD1-OE1 3.45Å; F256-E258 PolarHBondContact O-N 3.05Å
259D87Confident76.7Confident1 Ų159.6 Ų59.61%0.00530%0.303CS..  trans-144.2176.5-179.268.69.8000109.9H126 D127 D257 F261 S262 F263 K329H126-D259 IonicContact CE1-OD2 2.8Å; D127-D259 HydrophobicContact CB-CB 4.12Å; D257-D259 PolarHBondContact O-N 2.93Å; D259-F261 PolarHBondContact O-N 2.87Å; D259-F261 WeakPolarHBondContact OD1-CB 3.36Å; D259-F261 PolarHBondContact OD1-N 2.75Å; D259-S262 PolarHBondContact N-OG 3.11Å; D259-S262 PolarHBondContact O-N 2.64Å; D259-S262 PolarHBondContact O-OG 3.35Å; D259-S262 PolarHBondContact OD1-N 2.76Å; D259-S262 PolarHBondContact OD1-OG 2.97Å; D259-F263 VanDerWaalsContact C-CD1 3.48Å; D259-F263 WeakPolarHBondContact O-CD1 3.41Å; D259-F263 VanDerWaalsContact O-CE1 3.26Å; D259-F263 WeakPolarHBondContact O-CE1 3.45Å; D259-F263 PolarHBondContact O-N 2.76Å; D259-F263 VanDerWaalsContact O-N 3.15Å; D259-K329 IonicContact OD2-NZ 2.9Å; D259-K329 PolarHBondContact OD2-NZ 3.48Å
260L91.7Very high77.9Confident1 Ų157.6 Ų57.61%0.00529%0.293CS..THydrogen-bonded Turntrans-59.5-17.9-176.4-71.5176.3000113.2H126 L130 L147 F263 H369 L372 A373 I376H126-L260 PolarHBondContact NE2-N 3.19Å; H126-L260 VanDerWaalsContact NE2-N 3.19Å; L130-L260 HydrophobicContact CD1-CD1 3.53Å; L130-L260 HydrophobicContact CD1-CG 4.29Å; L147-L260 HydrophobicContact CD1-CD2 4.27Å; L260-F263 HydrophobicContact CD2-CD2 4.24Å; L260-F263 HydrophobicContact CD2-CE1 4.36Å; L260-F263 HydrophobicContact CD2-CE2 3.49Å; L260-F263 VanDerWaalsContact CD2-CE2 3.49Å; L260-F263 HydrophobicContact CD2-CZ 3.52Å; L260-F263 HydrophobicContact CG-CZ 4.27Å; L260-H369 CarbonylContact O-C 3.55Å; L260-L372 HydrophobicContact CD1-CD2 3.97Å; L260-L372 HydrophobicContact CD1-CG 4.16Å; L260-L372 HydrophobicContact CD2-CD2 4.43Å; L260-A373 HydrophobicContact CB-CB 3.64Å; L260-A373 HydrophobicContact CD1-CB 4.3Å; L260-I376 HydrophobicContact CD1-CD1 4.01Å
261F91.4Very high79.4Confident2 Ų253.6 Ų53.61%0.00927%0.271CS..THydrogen-bonded Turntrans-78.8-27.2175.2-71.4-66.3000114H126 D259 T325 Y333 R370 A373 E377H126-F261 AromaticContact CE1-CD2 3.59Å; H126-F261 AromaticContact CE1-CE2 3.75Å; H126-F261 AromaticContact ND1-CE2 3.94Å; D259-F261 PolarHBondContact O-N 2.87Å; D259-F261 WeakPolarHBondContact OD1-CB 3.36Å; D259-F261 PolarHBondContact OD1-N 2.75Å; F261-T325 HydrophobicContact CE1-CG2 4.1Å; F261-T325 HydrophobicContact CZ-CG2 4.46Å; F261-Y333 HydrophobicContact CB-CD1 3.65Å; F261-Y333 HydrophobicContact CB-CD2 3.9Å; F261-Y333 HydrophobicContact CB-CE1 3.61Å; F261-Y333 HydrophobicContact CB-CE2 3.83Å; F261-Y333 HydrophobicContact CB-CG 3.78Å; F261-Y333 HydrophobicContact CD1-CD1 4.27Å; F261-Y333 AromaticContact CD1-CD2 3.67Å; F261-Y333 HydrophobicContact CD1-CD2 3.67Å; F261-Y333 HydrophobicContact CD1-CE2 4.36Å; F261-Y333 AromaticContact CD1-CG 3.59Å; F261-Y333 HydrophobicContact CD1-CG 3.59Å; F261-Y333 AromaticContact CD2-CD2 3.75Å; F261-Y333 HydrophobicContact CD2-CD2 3.75Å; F261-Y333 AromaticContact CD2-CE2 3.68Å; F261-Y333 HydrophobicContact CD2-CE2 3.68Å; F261-Y333 HydrophobicContact CD2-CG 4.39Å; F261-Y333 HydrophobicContact CE1-CD2 4.07Å; F261-Y333 HydrophobicContact CE1-CG 4.25Å; F261-Y333 HydrophobicContact CE2-CD2 4.13Å; F261-Y333 HydrophobicContact CE2-CE2 4.3Å; F261-Y333 HydrophobicContact CG-CD1 4.11Å; F261-Y333 AromaticContact CG-CD2 3.5Å; F261-Y333 HydrophobicContact CG-CD2 3.5Å; F261-Y333 HydrophobicContact CG-CE1 4.32Å; F261-Y333 AromaticContact CG-CE2 3.72Å; F261-Y333 HydrophobicContact CG-CE2 3.72Å; F261-Y333 AromaticContact CG-CG 3.69Å; F261-Y333 HydrophobicContact CG-CG 3.69Å; F261-Y333 HydrophobicContact CZ-CD2 4.29Å; F261-R370 HydrophobicContact CD1-CB 3.98Å; F261-R370 HydrophobicContact CD1-CG 4.03Å; F261-R370 HydrophobicContact CE1-CB 4.39Å; F261-R370 WeakPolarHBondContact CE1-O 3.21Å; F261-R370 PolarHBondContact O-NE 2.93Å; F261-R370 PolarHBondContact O-NH2 3.13Å; F261-A373 HydrophobicContact CD1-CB 3.99Å; F261-A373 HydrophobicContact CD2-CB 4.02Å; F261-A373 HydrophobicContact CE1-CB 3.67Å; F261-A373 HydrophobicContact CE2-CB 3.71Å; F261-A373 HydrophobicContact CG-CB 4.15Å; F261-A373 HydrophobicContact CZ-CB 3.53Å; F261-E377 WeakPolarHBondContact CE2-OE1 3.37Å
262S86.8Confident81.3Confident36 Ų3649.5 Ų49.525%0.25225%0.25SC..THydrogen-bonded Turntrans-115.73.1-16752.80000114.1D257 D259 R264D257-S262 PolarHBondContact O-OG 2.87Å; D259-S262 PolarHBondContact N-OG 3.11Å; D259-S262 PolarHBondContact O-N 2.64Å; D259-S262 PolarHBondContact O-OG 3.35Å; D259-S262 PolarHBondContact OD1-N 2.76Å; D259-S262 PolarHBondContact OD1-OG 2.97Å; S262-R264 PolarHBondContact O-N 2.85Å
263F87.3Confident83.6Confident16 Ų1641.3 Ų41.37%0.0721%0.212CC..  trans-50.4130.3177.2-79.811.6000113.1L136 L138 C145 D259 L260 H369L136-F263 HydrophobicContact CD1-CZ 3.75Å; L138-F263 HydrophobicContact CD2-CE1 4.2Å; C145-F263 HydrophobicContact CB-CD1 3.9Å; C145-F263 HydrophobicContact CB-CD2 4.05Å; C145-F263 HydrophobicContact CB-CE1 3.41Å; C145-F263 VanDerWaalsContact CB-CE1 3.41Å; C145-F263 HydrophobicContact CB-CE2 3.53Å; C145-F263 HydrophobicContact CB-CG 4.25Å; C145-F263 HydrophobicContact CB-CZ 3.23Å; C145-F263 VanDerWaalsContact SG-CD1 3.6Å; C145-F263 WeakPolarHBondContact SG-CE1 3.39Å; D259-F263 VanDerWaalsContact C-CD1 3.48Å; D259-F263 WeakPolarHBondContact O-CD1 3.41Å; D259-F263 VanDerWaalsContact O-CE1 3.26Å; D259-F263 WeakPolarHBondContact O-CE1 3.45Å; D259-F263 PolarHBondContact O-N 2.76Å; D259-F263 VanDerWaalsContact O-N 3.15Å; L260-F263 HydrophobicContact CD2-CD2 4.24Å; L260-F263 HydrophobicContact CD2-CE1 4.36Å; L260-F263 HydrophobicContact CD2-CE2 3.49Å; L260-F263 VanDerWaalsContact CD2-CE2 3.49Å; L260-F263 HydrophobicContact CD2-CZ 3.52Å; L260-F263 HydrophobicContact CG-CZ 4.27Å; F263-H369 AromaticContact CD2-CD2 3.43Å; F263-H369 VanDerWaalsContact CD2-CD2 3.43Å; F263-H369 WeakPolarHBondContact CD2-CD2 3.46Å; F263-H369 AromaticContact CE2-CD2 3.71Å
264R85.3Confident85.8Confident54 Ų5436.8 Ų36.820%0.20419%0.187CC..SBendtrans-74.3-30.9177.7-62.2-170.5-179.5-171.8-1.8113.2F143 Y247 C248 S262F143-R264 VanDerWaalsContact CE1-NH2 3.26Å; F143-R264 VanDerWaalsContact CE2-NH1 3.28Å; F143-R264 VanDerWaalsContact CZ-NH2 3.29Å; Y247-R264 CarbonylContact C-O 3.5Å; Y247-R264 VanDerWaalsContact CA-O 3.3Å; Y247-R264 WeakPolarHBondContact CA-O 3.35Å; C248-R264 PolarHBondContact N-O 3.47Å; S262-R264 PolarHBondContact O-N 2.85Å
265Q90.4Very high87.9Confident105 Ų10531.2 Ų31.249%0.49116%0.159SC..EExtended strand (participates in β ladder)trans-110.6111.8165.9-179.2-178.8-35.800107.9N245 T246 Y247N245-Q265 HydrophobicContact CB-CG 4.42Å; N245-Q265 PolarHBondContact ND2-NE2 3.21Å; T246-Q265 WeakPolarHBondContact O-CA 3.31Å; Y247-Q265 HydrophobicContact CD1-CB 4.22Å; Y247-Q265 HydrophobicContact CD1-CG 4.01Å; Y247-Q265 HydrophobicContact CE1-CB 4.39Å; Y247-Q265 HydrophobicContact CE1-CG 3.74Å
266S91.9Very high89.8Confident10 Ų1028.6 Ų28.67%0.0714%0.137CC..EExtended strand (participates in β ladder)trans-120.5165.6177.857.20000110.9N245 T246 N367N245-S266 CarbonylContact C-O 3.59Å; N245-S266 VanDerWaalsContact CA-O 3.3Å; N245-S266 WeakPolarHBondContact CA-O 3.35Å; T246-S266 PolarHBondContact N-O 3.29Å; T246-S266 PolarHBondContact O-N 3.44Å; T246-S266 PolarHBondContact OG1-O 3.12Å; T246-S266 VanDerWaalsContact OG1-O 3.1Å; T246-S266 PolarHBondContact OG1-OG 3.22Å; S266-N367 PolarHBondContact OG-ND2 3Å
267R95.8Very high91.6Very high83 Ų8325.9 Ų25.931%0.31313%0.129SC..EExtended strand (participates in β ladder)trans-90.4130.4165.2-72.4-73.3-175.5108.30.2108.9L155 E159 G244 N245 L368 H369L155-R267 HydrophobicContact CD2-CG 4.4Å; E159-R267 WeakPolarHBondContact OE1-CD 3.48Å; E159-R267 WeakPolarHBondContact OE1-CG 3.49Å; E159-R267 IonicContact OE1-CZ 3.68Å; E159-R267 IonicContact OE1-NE 3.59Å; E159-R267 IonicContact OE1-NH1 3.86Å; E159-R267 PolarHBondContact OE1-NH1 3.28Å; E159-R267 IonicContact OE2-NH1 2.77Å; E159-R267 PolarHBondContact OE2-NH1 2.87Å; E159-R267 VanDerWaalsContact OE2-NH1 3.14Å; G244-R267 CarbonylContact O-C 3.53Å; G244-R267 WeakPolarHBondContact O-CA 3.46Å; N245-R267 WeakPolarHBondContact OD1-CD 3.44Å; N245-R267 PolarHBondContact OD1-NE 2.93Å; R267-L368 HydrophobicContact CB-CB 4.21Å; R267-L368 HydrophobicContact CB-CD1 4.38Å; R267-L368 WeakPolarHBondContact O-CB 3.38Å; R267-L368 PolarHBondContact O-N 3.42Å; R267-H369 PolarHBondContact N-CE1 3.29Å; R267-H369 PolarHBondContact N-ND1 2.99Å
268S96.2Very high92.6Very high0 Ų022.8 Ų22.80%012%0.12CC..EExtended strand (participates in β ladder)trans-128.6147.1172.4-60.80000110.7I243 G244 T246 E365 I366I243-S268 WeakPolarHBondContact CA-O 3.31Å; G244-S268 PolarHBondContact N-O 3.35Å; G244-S268 VanDerWaalsContact N-O 3.07Å; G244-S268 PolarHBondContact O-N 3.14Å; T246-S268 VanDerWaalsContact CG2-OG 3.31Å; T246-S268 WeakPolarHBondContact CG2-OG 3.46Å; T246-S268 PolarHBondContact OG1-OG 3.16Å; S268-E365 PolarHBondContact OG-OE1 3.15Å; S268-I366 CarbonylContact C-O 3.5Å; S268-I366 WeakPolarHBondContact CA-O 3.24Å; S268-I366 WeakPolarHBondContact CB-O 3.27Å
269L97.8Very high93.3Very high0 Ų028.2 Ų28.20%015%0.15CC..EExtended strand (participates in β ladder)trans-97.2132.6159179.8140.6000108.7V162 F166 F241 S242 I243 E365 I366V162-L269 HydrophobicContact CB-CD1 4.34Å; V162-L269 HydrophobicContact CG1-CB 4.37Å; V162-L269 HydrophobicContact CG1-CD1 3.56Å; V162-L269 HydrophobicContact CG1-CD2 4.26Å; V162-L269 HydrophobicContact CG1-CG 4.27Å; F166-L269 HydrophobicContact CD1-CD2 4.27Å; F166-L269 HydrophobicContact CD2-CD1 4Å; F166-L269 HydrophobicContact CD2-CD2 3.77Å; F166-L269 HydrophobicContact CE1-CD2 3.9Å; F166-L269 HydrophobicContact CE2-CD1 4.32Å; F166-L269 HydrophobicContact CE2-CD2 3.33Å; F166-L269 HydrophobicContact CE2-CG 4.46Å; F166-L269 HydrophobicContact CG-CD1 4.43Å; F166-L269 HydrophobicContact CG-CD2 4.21Å; F166-L269 HydrophobicContact CZ-CD2 3.4Å; F241-L269 HydrophobicContact CD2-CD1 3.84Å; F241-L269 HydrophobicContact CD2-CG 4.39Å; F241-L269 HydrophobicContact CE2-CD1 4.22Å; S242-L269 WeakPolarHBondContact O-CA 3.5Å; I243-L269 HydrophobicContact CD1-CD1 4.44Å; I243-L269 HydrophobicContact CG1-CB 4.37Å; L269-E365 WeakPolarHBondContact O-CA 3.36Å; L269-I366 HydrophobicContact CD2-CD1 4.11Å; L269-I366 PolarHBondContact N-O 3.3Å; L269-I366 PolarHBondContact O-N 2.86Å
270T97.8Very high93.6Very high0 Ų029.7 Ų29.70%016%0.16CC..EExtended strand (participates in β ladder)trans-122.7144.8177.463.20000110.4H216 Y221 F241 S242 Y363 L364 E365H216-T270 HydrophobicContact CB-CG2 4.37Å; H216-T270 WeakPolarHBondContact O-CG2 3.41Å; Y221-T270 WeakPolarHBondContact CE2-OG1 3.45Å; Y221-T270 PolarHBondContact OH-O 2.99Å; Y221-T270 PolarHBondContact OH-OG1 2.85Å; F241-T270 CarbonylContact C-O 3.42Å; F241-T270 WeakPolarHBondContact CA-O 3.4Å; F241-T270 WeakPolarHBondContact CB-O 3.32Å; S242-T270 PolarHBondContact N-O 2.96Å; S242-T270 PolarHBondContact O-N 2.93Å; S242-T270 PolarHBondContact OG-OG1 3.48Å; T270-Y363 HydrophobicContact CG2-CE2 4.28Å; T270-Y363 WeakPolarHBondContact CG2-OH 3.43Å; T270-L364 CarbonylContact C-O 3.52Å; T270-L364 VanDerWaalsContact CA-O 3.26Å; T270-L364 WeakPolarHBondContact CA-O 3.4Å; T270-E365 HydrophobicContact CG2-CG 4.29Å
271A98.2Very high93.7Very high0 Ų030.3 Ų30.30%016%0.163CC..EExtended strand (participates in β ladder)trans-132.9143.1173.600000111F166 F171 L240 F241 Y363 L364F166-A271 HydrophobicContact CD1-CB 4.27Å; F166-A271 HydrophobicContact CE1-CB 3.66Å; F171-A271 HydrophobicContact CD1-CB 4.14Å; F171-A271 HydrophobicContact CE1-CB 3.81Å; L240-A271 CarbonylContact O-C 3.5Å; L240-A271 VanDerWaalsContact O-CA 3.27Å; L240-A271 WeakPolarHBondContact O-CA 3.4Å; F241-A271 HydrophobicContact CB-CB 4.04Å; A271-Y363 CarbonylContact O-C 3.56Å; A271-Y363 WeakPolarHBondContact O-CA 3.36Å; A271-Y363 VanDerWaalsContact O-CD2 3.31Å; A271-Y363 WeakPolarHBondContact O-CD2 3.14Å; A271-L364 HydrophobicContact CB-CB 4.23Å; A271-L364 HydrophobicContact CB-CD2 4.44Å; A271-L364 PolarHBondContact N-O 2.95Å; A271-L364 PolarHBondContact O-N 3.34Å
272F97.8Very high93.9Very high0 Ų032.7 Ų32.70%018%0.176CC..EExtended strand (participates in β ladder)trans-131123-178.9-169.5-111.8000109.3I218 Y221 L222 L225 L240 I274 C361 L362 Y363I218-F272 HydrophobicContact CD1-CE2 4.25Å; I218-F272 HydrophobicContact CG1-CD2 4.31Å; I218-F272 HydrophobicContact CG1-CE2 4.17Å; Y221-F272 HydrophobicContact CD1-CB 3.54Å; Y221-F272 HydrophobicContact CD1-CD1 4.26Å; Y221-F272 HydrophobicContact CD1-CG 4.13Å; Y221-F272 HydrophobicContact CD2-CB 3.95Å; Y221-F272 HydrophobicContact CD2-CG 4.4Å; Y221-F272 HydrophobicContact CE1-CB 3.82Å; Y221-F272 HydrophobicContact CE2-CB 4.22Å; Y221-F272 HydrophobicContact CG-CB 3.6Å; Y221-F272 HydrophobicContact CG-CD1 4.18Å; Y221-F272 AromaticContact CG-CG 3.88Å; Y221-F272 HydrophobicContact CG-CG 3.88Å; L222-F272 HydrophobicContact CD2-CE2 4.41Å; L222-F272 HydrophobicContact CD2-CZ 4.12Å; L225-F272 HydrophobicContact CD1-CD1 4.29Å; L225-F272 HydrophobicContact CD1-CE1 3.64Å; L240-F272 PolarHBondContact N-O 3.45Å; L240-F272 PolarHBondContact O-N 3.16Å; F272-I274 HydrophobicContact CD1-CD1 4.09Å; F272-I274 HydrophobicContact CD1-CG1 3.77Å; F272-I274 HydrophobicContact CE1-CD1 3.89Å; F272-I274 HydrophobicContact CE1-CG1 3.5Å; F272-I274 VanDerWaalsContact CE1-CG1 3.5Å; F272-I274 HydrophobicContact CZ-CG1 4.45Å; F272-C361 HydrophobicContact CE2-CB 3.83Å; F272-C361 HydrophobicContact CZ-CB 3.76Å; F272-L362 WeakPolarHBondContact CA-O 3.24Å; F272-L362 VanDerWaalsContact CD2-O 3.32Å; F272-L362 WeakPolarHBondContact CD2-O 3.41Å; F272-Y363 HydrophobicContact CD2-CD2 4.25Å
273V97.9Very high94.4Very high3 Ų336.2 Ų36.22%0.01819%0.192CC..EExtended strand (participates in β ladder)trans-115.7129.2-179.3-177.50000109.4F171 P237 I238 K239 L275 L288 L362F171-V273 HydrophobicContact CE1-CG2 3.75Å; F171-V273 HydrophobicContact CZ-CG2 3.98Å; P237-V273 HydrophobicContact CB-CG1 4.11Å; I238-V273 WeakPolarHBondContact O-CA 3.4Å; K239-V273 HydrophobicContact CG-CG1 4.34Å; K239-V273 HydrophobicContact CG-CG2 4.33Å; V273-L275 HydrophobicContact CG1-CG 4.5Å; V273-L288 HydrophobicContact CG2-CD1 4.16Å; V273-L288 HydrophobicContact CG2-CD2 4.06Å; V273-L288 HydrophobicContact CG2-CG 4.5Å; V273-L362 HydrophobicContact CB-CB 4.22Å; V273-L362 PolarHBondContact N-O 3Å; V273-L362 PolarHBondContact O-N 3.36Å
274I97.2Very high94.9Very high0 Ų038.5 Ų38.50%020%0.202CC..EExtended strand (participates in β ladder)trans-113.1128.5-179.6-55.9162.7000108.8L225 L230 L236 P237 I238 F272 M359 Q360L225-I274 HydrophobicContact CD1-CD1 3.39Å; L225-I274 HydrophobicContact CD1-CG1 4.3Å; L225-I274 HydrophobicContact CD2-CD1 4.29Å; L225-I274 HydrophobicContact CG-CD1 4.48Å; L230-I274 HydrophobicContact CD1-CG2 4.41Å; L236-I274 HydrophobicContact CD2-CG2 4.2Å; P237-I274 VanDerWaalsContact CA-O 3.26Å; P237-I274 WeakPolarHBondContact CA-O 3.49Å; I238-I274 HydrophobicContact CB-CB 4.18Å; I238-I274 HydrophobicContact CB-CD1 4.2Å; I238-I274 HydrophobicContact CG2-CD1 4.19Å; I238-I274 PolarHBondContact N-O 3.29Å; I238-I274 VanDerWaalsContact N-O 3.07Å; I238-I274 PolarHBondContact O-N 2.88Å; F272-I274 HydrophobicContact CD1-CD1 4.09Å; F272-I274 HydrophobicContact CD1-CG1 3.77Å; F272-I274 HydrophobicContact CE1-CD1 3.89Å; F272-I274 HydrophobicContact CE1-CG1 3.5Å; F272-I274 VanDerWaalsContact CE1-CG1 3.5Å; F272-I274 HydrophobicContact CZ-CG1 4.45Å; I274-M359 HydrophobicContact CD1-SD 4.34Å; I274-M359 HydrophobicContact CG2-CB 3.85Å; I274-M359 HydrophobicContact CG2-CG 3.65Å; I274-M359 HydrophobicContact CG2-SD 3.79Å; I274-Q360 WeakPolarHBondContact CA-O 3.34Å
275L96.7Very high95.5Very high5 Ų536 Ų363%0.02619%0.193CC..EExtended strand (participates in β ladder)trans-122.7161.7174.6-56.9153.3000109.3P237 V273 P280 L281 K284 Q360 L362P237-L275 HydrophobicContact CB-CD2 3.66Å; P237-L275 HydrophobicContact CG-CD2 4.42Å; V273-L275 HydrophobicContact CG1-CG 4.5Å; L275-P280 HydrophobicContact CD1-CG 4.44Å; L275-P280 HydrophobicContact CD2-CG 4.09Å; L275-L281 HydrophobicContact CD1-CB 4.4Å; L275-L281 HydrophobicContact CD1-CD1 3.71Å; L275-K284 HydrophobicContact CD1-CB 4.08Å; L275-K284 HydrophobicContact CD1-CG 4.04Å; L275-K284 HydrophobicContact CD2-CG 3.85Å; L275-Q360 HydrophobicContact CB-CB 4.13Å; L275-Q360 PolarHBondContact N-O 2.94Å; L275-Q360 PolarHBondContact O-N 3.06Å; L275-L362 HydrophobicContact CD1-CD1 4.33Å
276D94.1Very high95.8Very high45 Ų4534.3 Ų34.324%0.24119%0.186CC..SBendtrans-97.2-24173.168.4-38.7000113.4L236 C353 K357L236-D276 HydrophobicContact CD1-CB 3.66Å; D276-C353 HydrophobicContact CB-CB 4.02Å; D276-K357 WeakPolarHBondContact O-CE 3.49Å; D276-K357 IonicContact OD2-NZ 2.68Å; D276-K357 PolarHBondContact OD2-NZ 3.43Å
277S93.6Very high96.1Very high32 Ų3237.4 Ų37.422%0.22420%0.198CC..  trans-121156.3176.565.90000112.7P280 Q360S277-P280 WeakPolarHBondContact O-CD 3.34Å; S277-P280 WeakPolarHBondContact OG-CD 3.34Å; S277-Q360 WeakPolarHBondContact O-CG 3.33Å
278A93Very high96.2Very high55 Ų5533.5 Ų33.546%0.45518%0.183SC..SBendtrans-77-22.6176.200000112.4L281A278-L281 WeakPolarHBondContact O-CB 3.25Å; A278-L281 PolarHBondContact O-N 2.98Å
279D92.1Very high96.4Very high144 Ų14433.5 Ų33.577%0.7718%0.183SC*.THydrogen-bonded Turntrans-56-49.8-176.6-47.6-32.1000113.5L281D279-L281 PolarHBondContact O-N 3.41Å
280P92.3Very high96.4Very high33 Ų3334.7 Ų34.721%0.21420%0.195CC..THydrogen-bonded Turntrans-81.40.1178.335.3-38.5000113.3L275 S277 N282 D283 K284L275-P280 HydrophobicContact CD1-CG 4.44Å; L275-P280 HydrophobicContact CD2-CG 4.09Å; S277-P280 WeakPolarHBondContact O-CD 3.34Å; S277-P280 WeakPolarHBondContact OG-CD 3.34Å; P280-N282 VanDerWaalsContact C-N 3.28Å; P280-N282 PolarHBondContact O-N 3.45Å; P280-D283 PolarHBondContact O-N 3.08Å; P280-K284 HydrophobicContact CB-CG 4.46Å; P280-K284 WeakPolarHBondContact O-CB 3.46Å; P280-K284 VanDerWaalsContact O-CG 3.27Å; P280-K284 WeakPolarHBondContact O-CG 3.27Å; P280-K284 PolarHBondContact O-N 3.38Å
281L94.6Very high96.4Very high14 Ų1434.8 Ų34.87%0.07320%0.196CC..Hα-helixtrans-59.3-43.2-170.8-17262.9000111.3L275 A278 D279 M285 N340 Q360 L362L275-L281 HydrophobicContact CD1-CB 4.4Å; L275-L281 HydrophobicContact CD1-CD1 3.71Å; A278-L281 WeakPolarHBondContact O-CB 3.25Å; A278-L281 PolarHBondContact O-N 2.98Å; D279-L281 PolarHBondContact O-N 3.41Å; L281-M285 WeakPolarHBondContact O-CB 3.33Å; L281-M285 PolarHBondContact O-N 3.35Å; L281-N340 WeakPolarHBondContact CD2-ND2 3.37Å; L281-N340 VanDerWaalsContact CD2-OD1 3.31Å; L281-N340 WeakPolarHBondContact CD2-OD1 3.05Å; L281-Q360 HydrophobicContact CD1-CB 3.9Å; L281-L362 HydrophobicContact CD1-CD1 4.12Å; L281-L362 HydrophobicContact CD1-CD2 3.51Å; L281-L362 HydrophobicContact CD1-CG 3.64Å; L281-L362 HydrophobicContact CG-CD2 4.1Å
282N95.2Very high96.4Very high52 Ų5234.8 Ų34.828%0.27820%0.196SC..Hα-helixtrans-65.8-49.1177179.140000112.5R103 P280 K284 M285 M286R103-N282 VanDerWaalsContact CZ-CG 3.48Å; R103-N282 PolarHBondContact NH1-ND2 2.92Å; R103-N282 PolarHBondContact NH1-OD1 3.46Å; R103-N282 VanDerWaalsContact NH2-CG 3.28Å; R103-N282 PolarHBondContact NH2-OD1 3.37Å; P280-N282 VanDerWaalsContact C-N 3.28Å; P280-N282 PolarHBondContact O-N 3.45Å; N282-K284 PolarHBondContact O-N 2.96Å; N282-M285 WeakPolarHBondContact O-CA 3.43Å; N282-M285 WeakPolarHBondContact O-CB 3.25Å; N282-M285 PolarHBondContact O-N 2.86Å; N282-M286 WeakPolarHBondContact O-CG 3.19Å; N282-M286 PolarHBondContact O-N 3.4Å
283D96.8Very high96.4Very high110 Ų11036.7 Ų36.759%0.58821%0.205SC*.Hα-helixtrans-59.9-35.9-178.5-65.4-12.2000111.3P280 M286 F287P280-D283 PolarHBondContact O-N 3.08Å; D283-M286 PolarHBondContact O-N 2.86Å; D283-F287 WeakPolarHBondContact O-CB 3.38Å; D283-F287 PolarHBondContact O-N 2.88Å
284K97.4Very high96.4Very high64 Ų6443 Ų4328%0.27823%0.228SC..Hα-helixtrans-73.7-34.3175.1-63-61178.2-155.60112.9L275 P280 N282 M286 F287 L288 L362L275-K284 HydrophobicContact CD1-CB 4.08Å; L275-K284 HydrophobicContact CD1-CG 4.04Å; L275-K284 HydrophobicContact CD2-CG 3.85Å; P280-K284 HydrophobicContact CB-CG 4.46Å; P280-K284 WeakPolarHBondContact O-CB 3.46Å; P280-K284 VanDerWaalsContact O-CG 3.27Å; P280-K284 WeakPolarHBondContact O-CG 3.27Å; P280-K284 PolarHBondContact O-N 3.38Å; N282-K284 PolarHBondContact O-N 2.96Å; K284-M286 VanDerWaalsContact C-N 3.35Å; K284-F287 WeakPolarHBondContact O-CB 3.5Å; K284-F287 PolarHBondContact O-N 2.91Å; K284-L288 WeakPolarHBondContact O-CG 3.45Å; K284-L288 PolarHBondContact O-N 2.91Å; K284-L288 VanDerWaalsContact O-N 3.08Å; K284-L362 HydrophobicContact CB-CD1 3.62Å
285M97.9Very high96.4Very high2 Ų243 Ų431%0.0123%0.228CC..Hα-helixtrans-61.9-45.5170.5-170.9-175.7-178.200110.5L281 N282 F287 L288 V289 A319 I321 V338 N340 L362L281-M285 WeakPolarHBondContact O-CB 3.33Å; L281-M285 PolarHBondContact O-N 3.35Å; N282-M285 WeakPolarHBondContact O-CA 3.43Å; N282-M285 WeakPolarHBondContact O-CB 3.25Å; N282-M285 PolarHBondContact O-N 2.86Å; M285-F287 VanDerWaalsContact C-N 3.32Å; M285-F287 PolarHBondContact O-N 2.76Å; M285-L288 WeakPolarHBondContact O-CB 3.47Å; M285-L288 PolarHBondContact O-N 3.31Å; M285-L288 VanDerWaalsContact O-N 3.16Å; M285-V289 WeakPolarHBondContact O-CG2 3.32Å; M285-V289 PolarHBondContact O-N 3.27Å; M285-A319 HydrophobicContact CE-CB 4.18Å; M285-I321 HydrophobicContact CE-CB 4.48Å; M285-I321 HydrophobicContact CE-CD1 3.91Å; M285-I321 HydrophobicContact CE-CG1 3.93Å; M285-V338 HydrophobicContact CE-CG1 4.29Å; M285-V338 WeakPolarHBondContact CE-O 3.36Å; M285-V338 HydrophobicContact CG-CG1 3.73Å; M285-N340 HydrophobicContact CE-CB 4.4Å; M285-N340 HydrophobicContact SD-CB 3.97Å; M285-L362 HydrophobicContact CB-CD1 4.24Å; M285-L362 HydrophobicContact CB-CD2 4.17Å
286M97.8Very high96.4Very high69 Ų6942.8 Ų42.834%0.3423%0.227SC..Hα-helixtrans-66.9-32.7177.5-66.6-52.5-5600112.7N282 D283 K284 V289 G290N282-M286 WeakPolarHBondContact O-CG 3.19Å; N282-M286 PolarHBondContact O-N 3.4Å; D283-M286 PolarHBondContact O-N 2.86Å; K284-M286 VanDerWaalsContact C-N 3.35Å; M286-V289 HydrophobicContact CE-CG1 4.17Å; M286-V289 PolarHBondContact O-N 3.03Å; M286-G290 PolarHBondContact O-N 2.59Å
287F98Very high96.5Very high74 Ų7444.5 Ų44.533%0.32524%0.239SC..Hα-helixtrans-61.2-44169.8167.8-97.2000112.2F171 D283 K284 M285 G290 L291F171-F287 AromaticContact CE2-CE1 3.87Å; F171-F287 HydrophobicContact CE2-CE1 3.87Å; F171-F287 HydrophobicContact CE2-CZ 4.37Å; F171-F287 HydrophobicContact CZ-CE1 4.16Å; D283-F287 WeakPolarHBondContact O-CB 3.38Å; D283-F287 PolarHBondContact O-N 2.88Å; K284-F287 WeakPolarHBondContact O-CB 3.5Å; K284-F287 PolarHBondContact O-N 2.91Å; M285-F287 VanDerWaalsContact C-N 3.32Å; M285-F287 PolarHBondContact O-N 2.76Å; F287-G290 PolarHBondContact O-N 3.32Å; F287-L291 HydrophobicContact CD1-CD1 4.46Å; F287-L291 HydrophobicContact CE1-CD1 3.76Å; F287-L291 HydrophobicContact CE1-CG 4.38Å; F287-L291 HydrophobicContact CZ-CD1 3.88Å; F287-L291 HydrophobicContact CZ-CD2 4.36Å; F287-L291 HydrophobicContact CZ-CG 4.23Å; F287-L291 PolarHBondContact O-N 2.99Å; F287-L291 VanDerWaalsContact O-N 3.12Å
288L98.6Very high96.6Very high1 Ų146.3 Ų46.31%0.00525%0.246CC..Hα-helixtrans-64.1-43.1175.7-67.9176.6000111.6F171 V273 K284 M285 G290 L291 V292 V338 L362 L364F171-L288 HydrophobicContact CE1-CD2 4.34Å; F171-L288 HydrophobicContact CZ-CD2 3.7Å; V273-L288 HydrophobicContact CG2-CD1 4.16Å; V273-L288 HydrophobicContact CG2-CD2 4.06Å; V273-L288 HydrophobicContact CG2-CG 4.5Å; K284-L288 WeakPolarHBondContact O-CG 3.45Å; K284-L288 PolarHBondContact O-N 2.91Å; K284-L288 VanDerWaalsContact O-N 3.08Å; M285-L288 WeakPolarHBondContact O-CB 3.47Å; M285-L288 PolarHBondContact O-N 3.31Å; M285-L288 VanDerWaalsContact O-N 3.16Å; L288-G290 VanDerWaalsContact C-N 3.3Å; L288-G290 PolarHBondContact O-N 2.89Å; L288-L291 HydrophobicContact CD2-CD1 4.45Å; L288-L291 WeakPolarHBondContact O-CB 3.43Å; L288-L291 PolarHBondContact O-N 3.37Å; L288-L291 VanDerWaalsContact O-N 3.16Å; L288-V292 PolarHBondContact O-N 2.96Å; L288-V338 HydrophobicContact CB-CG1 3.96Å; L288-V338 HydrophobicContact CB-CG2 4.12Å; L288-V338 HydrophobicContact CD1-CG1 4.11Å; L288-L362 HydrophobicContact CD1-CB 3.96Å; L288-L362 HydrophobicContact CD1-CD1 4.29Å; L288-L364 HydrophobicContact CB-CD2 4.36Å; L288-L364 HydrophobicContact CD1-CB 4.34Å; L288-L364 HydrophobicContact CD2-CD2 4.09Å
289V98.6Very high96.7Very high0 Ų043.7 Ų43.70%023%0.225CC..Hα-helixtrans-55.5-47.4172.71630000110.5M285 M286 L291 V292 E293 I321 F323 V338M285-V289 WeakPolarHBondContact O-CG2 3.32Å; M285-V289 PolarHBondContact O-N 3.27Å; M286-V289 HydrophobicContact CE-CG1 4.17Å; M286-V289 PolarHBondContact O-N 3.03Å; V289-L291 VanDerWaalsContact C-N 3.27Å; V289-L291 PolarHBondContact O-N 3.3Å; V289-V292 PolarHBondContact O-N 3.4Å; V289-V292 VanDerWaalsContact O-N 3.12Å; V289-E293 HydrophobicContact CG1-CG 4.28Å; V289-E293 WeakPolarHBondContact CG1-OE1 3.43Å; V289-E293 WeakPolarHBondContact O-CG 3.45Å; V289-E293 PolarHBondContact O-N 3.33Å; V289-I321 HydrophobicContact CG2-CB 4.39Å; V289-I321 HydrophobicContact CG2-CD1 3.74Å; V289-I321 HydrophobicContact CG2-CG2 4.3Å; V289-F323 HydrophobicContact CB-CZ 4.26Å; V289-F323 HydrophobicContact CG1-CZ 3.89Å; V289-F323 HydrophobicContact CG2-CZ 4.33Å; V289-V338 HydrophobicContact CG2-CB 4.24Å; V289-V338 HydrophobicContact CG2-CG1 4.46Å; V289-V338 HydrophobicContact CG2-CG2 4.05Å
290G98.1Very high96.8Very high25 Ų2541.9 Ų41.926%0.25821%0.212SC..Hα-helixtrans-62.5-28.8178.400000114.5M286 F287 L288 R294M286-G290 PolarHBondContact O-N 2.59Å; F287-G290 PolarHBondContact O-N 3.32Å; L288-G290 VanDerWaalsContact C-N 3.3Å; L288-G290 PolarHBondContact O-N 2.89Å; G290-R294 WeakPolarHBondContact O-CB 3.29Å; G290-R294 PolarHBondContact O-N 2.87Å
291L98.3Very high96.9Very high2 Ų240.3 Ų40.31%0.0120%0.202CC..Hα-helixtrans-67.9-44.3172.6-70.1177.3000111.5F166 S169 F171 F287 L288 V289 R294 M295F166-L291 HydrophobicContact CE1-CD1 4.32Å; S169-L291 VanDerWaalsContact OG-CD2 3.31Å; S169-L291 WeakPolarHBondContact OG-CD2 3.37Å; F171-L291 HydrophobicContact CE2-CD1 3.96Å; F171-L291 HydrophobicContact CZ-CD1 4.42Å; F287-L291 HydrophobicContact CD1-CD1 4.46Å; F287-L291 HydrophobicContact CE1-CD1 3.76Å; F287-L291 HydrophobicContact CE1-CG 4.38Å; F287-L291 HydrophobicContact CZ-CD1 3.88Å; F287-L291 HydrophobicContact CZ-CD2 4.36Å; F287-L291 HydrophobicContact CZ-CG 4.23Å; F287-L291 PolarHBondContact O-N 2.99Å; F287-L291 VanDerWaalsContact O-N 3.12Å; L288-L291 HydrophobicContact CD2-CD1 4.45Å; L288-L291 WeakPolarHBondContact O-CB 3.43Å; L288-L291 PolarHBondContact O-N 3.37Å; L288-L291 VanDerWaalsContact O-N 3.16Å; V289-L291 VanDerWaalsContact C-N 3.27Å; V289-L291 PolarHBondContact O-N 3.3Å; L291-R294 PolarHBondContact O-N 3.31Å; L291-M295 PolarHBondContact O-N 2.9Å
292V98.5Very high96.9Very high0 Ų041.3 Ų41.30%021%0.206CC..Hα-helixtrans-65.9-42.2177.3-177.60000110.7L288 V289 R294 M295 L296 F323 A336 L364 I366L288-V292 PolarHBondContact O-N 2.96Å; V289-V292 PolarHBondContact O-N 3.4Å; V289-V292 VanDerWaalsContact O-N 3.12Å; V292-R294 VanDerWaalsContact C-N 3.33Å; V292-R294 PolarHBondContact O-N 3.31Å; V292-M295 HydrophobicContact CG1-CE 4.28Å; V292-M295 WeakPolarHBondContact O-CB 3.25Å; V292-M295 PolarHBondContact O-N 2.96Å; V292-L296 HydrophobicContact CG1-CD1 3.96Å; V292-L296 HydrophobicContact CG1-CG 4.32Å; V292-L296 WeakPolarHBondContact O-CG 3.32Å; V292-L296 PolarHBondContact O-N 3.35Å; V292-F323 HydrophobicContact CB-CD1 4.48Å; V292-F323 HydrophobicContact CB-CD2 4.26Å; V292-F323 HydrophobicContact CB-CE1 4.1Å; V292-F323 HydrophobicContact CB-CE2 3.85Å; V292-F323 HydrophobicContact CB-CZ 3.75Å; V292-F323 HydrophobicContact CG1-CB 4.35Å; V292-F323 HydrophobicContact CG1-CD1 3.75Å; V292-F323 HydrophobicContact CG1-CD2 3.63Å; V292-F323 HydrophobicContact CG1-CE1 3.87Å; V292-F323 HydrophobicContact CG1-CE2 3.75Å; V292-F323 HydrophobicContact CG1-CG 3.63Å; V292-F323 HydrophobicContact CG1-CZ 3.86Å; V292-F323 HydrophobicContact CG2-CE2 4.16Å; V292-F323 HydrophobicContact CG2-CZ 4.46Å; V292-A336 HydrophobicContact CG1-CB 3.74Å; V292-A336 HydrophobicContact CG2-CB 4.38Å; V292-L364 HydrophobicContact CG2-CD1 3.46Å; V292-L364 VanDerWaalsContact CG2-CD1 3.46Å; V292-L364 HydrophobicContact CG2-CD2 4.09Å; V292-L364 HydrophobicContact CG2-CG 4.47Å; V292-I366 HydrophobicContact CG2-CD1 4.37Å; V292-I366 HydrophobicContact CG2-CG1 4.46Å
293E98.1Very high97Very high40 Ų4038.8 Ų38.819%0.18719%0.193CC..Hα-helixtrans-61.4-42.1177.7-69.8-178.8166.900112.4R114 I116 V289 L296 T297 F323R114-E293 IonicContact CZ-OE1 2.76Å; R114-E293 IonicContact NE-OE1 3.93Å; R114-E293 PolarHBondContact NE-OE1 2.96Å; R114-E293 IonicContact NE-OE2 3.96Å; R114-E293 IonicContact NH2-OE1 3.41Å; R114-E293 PolarHBondContact NH2-OE1 3.18Å; R114-E293 IonicContact NH2-OE2 2.86Å; I116-E293 HydrophobicContact CD1-CB 4.26Å; I116-E293 HydrophobicContact CD1-CG 3.81Å; V289-E293 HydrophobicContact CG1-CG 4.28Å; V289-E293 WeakPolarHBondContact CG1-OE1 3.43Å; V289-E293 WeakPolarHBondContact O-CG 3.45Å; V289-E293 PolarHBondContact O-N 3.33Å; E293-L296 PolarHBondContact O-N 3.04Å; E293-T297 WeakPolarHBondContact O-CB 3.27Å; E293-T297 PolarHBondContact O-N 3.47Å; E293-T297 PolarHBondContact O-OG1 3.42Å; E293-F323 HydrophobicContact CG-CE1 3.64Å; E293-F323 HydrophobicContact CG-CZ 4.26Å
294R97.2Very high97Very high136 Ų13634.3 Ų34.351%0.51317%0.17SC..Hα-helixtrans-61-48.2174.4-174.4-176.8-57.21643.4111G290 L291 V292 L296 T297 D298G290-R294 WeakPolarHBondContact O-CB 3.29Å; G290-R294 PolarHBondContact O-N 2.87Å; L291-R294 PolarHBondContact O-N 3.31Å; V292-R294 VanDerWaalsContact C-N 3.33Å; V292-R294 PolarHBondContact O-N 3.31Å; R294-L296 VanDerWaalsContact C-N 3.35Å; R294-L296 PolarHBondContact O-N 2.99Å; R294-T297 PolarHBondContact O-N 2.82Å; R294-D298 WeakPolarHBondContact O-CB 3.44Å; R294-D298 VanDerWaalsContact O-CG 3.24Å; R294-D298 PolarHBondContact O-N 3.29Å
295M97.5Very high97.1Very high0 Ų031.3 Ų31.30%016%0.157CC..Hα-helixtrans-56-48.5177.7-174.3-166.268.800111.9Y161 V162 M165 L291 V292 T297 D298 L299 I366 L371Y161-M295 HydrophobicContact CE1-CG 3.85Å; V162-M295 HydrophobicContact CG1-SD 4.36Å; V162-M295 HydrophobicContact CG2-SD 3.93Å; M165-M295 HydrophobicContact CE-CB 3.89Å; M165-M295 HydrophobicContact CE-CG 4.1Å; M165-M295 HydrophobicContact CE-SD 4.21Å; M165-M295 HydrophobicContact SD-CB 3.85Å; M165-M295 HydrophobicContact SD-CG 4.42Å; L291-M295 PolarHBondContact O-N 2.9Å; V292-M295 HydrophobicContact CG1-CE 4.28Å; V292-M295 WeakPolarHBondContact O-CB 3.25Å; V292-M295 PolarHBondContact O-N 2.96Å; M295-T297 VanDerWaalsContact C-N 3.32Å; M295-T297 PolarHBondContact O-N 3.04Å; M295-D298 PolarHBondContact O-N 2.72Å; M295-L299 HydrophobicContact CG-CD1 3.91Å; M295-L299 WeakPolarHBondContact O-CB 2.98Å; M295-L299 WeakPolarHBondContact O-CD1 3.23Å; M295-L299 VanDerWaalsContact O-CG 3.23Å; M295-L299 WeakPolarHBondContact O-CG 3.46Å; M295-L299 PolarHBondContact O-N 2.93Å; M295-I366 HydrophobicContact CE-CD1 4.29Å; M295-I366 HydrophobicContact CE-CG2 3.89Å; M295-I366 HydrophobicContact SD-CD1 3.93Å; M295-I366 HydrophobicContact SD-CG2 4.11Å; M295-L371 HydrophobicContact CE-CD1 4.03Å; M295-L371 HydrophobicContact CE-CD2 3.74Å; M295-L371 HydrophobicContact SD-CD2 3.8Å
296L97.4Very high97.1Very high0 Ų034.7 Ų34.70%017%0.169CC..Hα-helixtrans-66.8-34.9179.7-65.8172.9000112.2I116 V292 E293 R294 E300 I301 A303 F323 L335 L371I116-L296 HydrophobicContact CD1-CB 4.45Å; I116-L296 HydrophobicContact CD1-CD1 3.98Å; I116-L296 HydrophobicContact CG2-CB 4.32Å; V292-L296 HydrophobicContact CG1-CD1 3.96Å; V292-L296 HydrophobicContact CG1-CG 4.32Å; V292-L296 WeakPolarHBondContact O-CG 3.32Å; V292-L296 PolarHBondContact O-N 3.35Å; E293-L296 PolarHBondContact O-N 3.04Å; R294-L296 VanDerWaalsContact C-N 3.35Å; R294-L296 PolarHBondContact O-N 2.99Å; L296-E300 PolarHBondContact O-N 3.44Å; L296-E300 VanDerWaalsContact O-N 3.14Å; L296-I301 HydrophobicContact CD2-CB 4.16Å; L296-I301 HydrophobicContact CD2-CD1 4.28Å; L296-I301 HydrophobicContact CD2-CG2 4.05Å; L296-I301 PolarHBondContact O-N 2.8Å; L296-A303 HydrophobicContact CD1-CB 3.87Å; L296-F323 HydrophobicContact CD1-CB 4.07Å; L296-F323 HydrophobicContact CD1-CD1 3.71Å; L296-F323 HydrophobicContact CD1-CG 4.19Å; L296-L335 HydrophobicContact CD2-CD1 3.73Å; L296-L371 HydrophobicContact CD2-CD1 3.79Å
297T96.1Very high97.1Very high81 Ų8131.8 Ų31.850%0.49716%0.155SC..Hα-helixtrans-68.2-46175.5-56.70000111.3E293 R294 M295 L299 E300E293-T297 WeakPolarHBondContact O-CB 3.27Å; E293-T297 PolarHBondContact O-N 3.47Å; E293-T297 PolarHBondContact O-OG1 3.42Å; R294-T297 PolarHBondContact O-N 2.82Å; M295-T297 VanDerWaalsContact C-N 3.32Å; M295-T297 PolarHBondContact O-N 3.04Å; T297-L299 VanDerWaalsContact C-N 3.28Å; T297-L299 PolarHBondContact O-N 2.84Å; T297-E300 WeakPolarHBondContact O-CA 3.48Å; T297-E300 PolarHBondContact O-N 3.37Å
298D95.1Very high97.1Very high70 Ų7028.6 Ų28.637%0.37414%0.142SC..Hα-helixtrans-63.7-33.5178.8-71.9-3.1000112.1Y161 R294 M295 E300 C391Y161-D298 WeakPolarHBondContact OH-CB 3.47Å; Y161-D298 PolarHBondContact OH-OD2 3.18Å; R294-D298 WeakPolarHBondContact O-CB 3.44Å; R294-D298 VanDerWaalsContact O-CG 3.24Å; R294-D298 PolarHBondContact O-N 3.29Å; M295-D298 PolarHBondContact O-N 2.72Å; D298-E300 VanDerWaalsContact C-N 3.27Å; D298-C391 HydrophobicContact CB-CB 4.4Å; D298-C391 PolarHBondContact O-SG 3.32Å
299L94.6Very high97.1Very high0 Ų028.6 Ų28.60%014%0.142CC..THydrogen-bonded Turntrans-83.1-3.8174.7-65.9168.6000113.1L158 Y161 M295 T297 I301 L371 I375 W379 P389 L392L158-L299 HydrophobicContact CD1-CD1 4.11Å; L158-L299 HydrophobicContact CD1-CD2 4.17Å; Y161-L299 HydrophobicContact CD1-CD2 4.36Å; Y161-L299 HydrophobicContact CE1-CD1 4.28Å; Y161-L299 HydrophobicContact CE1-CD2 4.23Å; Y161-L299 HydrophobicContact CE1-CG 4.11Å; M295-L299 HydrophobicContact CG-CD1 3.91Å; M295-L299 WeakPolarHBondContact O-CB 2.98Å; M295-L299 WeakPolarHBondContact O-CD1 3.23Å; M295-L299 VanDerWaalsContact O-CG 3.23Å; M295-L299 WeakPolarHBondContact O-CG 3.46Å; M295-L299 PolarHBondContact O-N 2.93Å; T297-L299 VanDerWaalsContact C-N 3.28Å; T297-L299 PolarHBondContact O-N 2.84Å; L299-I301 HydrophobicContact CB-CD1 3.68Å; L299-I301 HydrophobicContact CB-CG1 3.8Å; L299-I301 HydrophobicContact CD1-CD1 3.93Å; L299-I301 HydrophobicContact CG-CD1 4.44Å; L299-I301 PolarHBondContact O-N 2.81Å; L299-L371 HydrophobicContact CD1-CD1 3.96Å; L299-L371 HydrophobicContact CD1-CD2 3.76Å; L299-L371 HydrophobicContact CD1-CG 3.96Å; L299-I375 HydrophobicContact CD1-CD1 4.48Å; L299-I375 HydrophobicContact CD2-CD1 4.06Å; L299-W379 PolarHBondContact O-NE1 3.11Å; L299-P389 HydrophobicContact CD2-CB 4.47Å; L299-P389 HydrophobicContact CD2-CG 4.27Å; L299-P389 WeakPolarHBondContact O-CG 3.16Å; L299-L392 HydrophobicContact CD2-CD1 3.85Å; L299-L392 HydrophobicContact CD2-CD2 4.02Å; L299-L392 HydrophobicContact CD2-CG 3.88Å
300E94Very high97Very high106 Ų10628.6 Ų28.650%0.49514%0.142SC..THydrogen-bonded Turntrans5139.8-174.2-50.2-177.5-167.900113.7L296 T297 D298 Q378 W379L296-E300 PolarHBondContact O-N 3.44Å; L296-E300 VanDerWaalsContact O-N 3.14Å; T297-E300 WeakPolarHBondContact O-CA 3.48Å; T297-E300 PolarHBondContact O-N 3.37Å; D298-E300 VanDerWaalsContact C-N 3.27Å; E300-Q378 PolarHBondContact O-OE1 2.94Å; E300-W379 HydrophobicContact CB-CZ2 3.79Å; E300-W379 VanDerWaalsContact CD-CZ2 3.5Å; E300-W379 HydrophobicContact CG-CZ2 3.9Å; E300-W379 WeakPolarHBondContact OE2-CZ2 3.49Å
301I94.9Very high96.9Very high0 Ų031.3 Ų31.30%015%0.146CC..  trans-88.5124.5180-67.4172.8000109.3L296 L299 A303 L335 L371 A374 I375L296-I301 HydrophobicContact CD2-CB 4.16Å; L296-I301 HydrophobicContact CD2-CD1 4.28Å; L296-I301 HydrophobicContact CD2-CG2 4.05Å; L296-I301 PolarHBondContact O-N 2.8Å; L299-I301 HydrophobicContact CB-CD1 3.68Å; L299-I301 HydrophobicContact CB-CG1 3.8Å; L299-I301 HydrophobicContact CD1-CD1 3.93Å; L299-I301 HydrophobicContact CG-CD1 4.44Å; L299-I301 PolarHBondContact O-N 2.81Å; I301-A303 PolarHBondContact O-N 3.33Å; I301-L335 HydrophobicContact CG2-CD1 3.96Å; I301-L371 HydrophobicContact CD1-CD1 3.38Å; I301-L371 HydrophobicContact CD1-CG 4.17Å; I301-A374 HydrophobicContact CD1-CB 4.26Å; I301-A374 HydrophobicContact CG2-CB 4.2Å; I301-I375 HydrophobicContact CD1-CG1 3.86Å; I301-I375 HydrophobicContact CG1-CG1 4.46Å
302Q94.6Very high96.7Very high35 Ų3535.9 Ų35.916%0.16417%0.17CC..  trans-64.2125.8166.9-175.2-167.6-12.900110.1I116 K119 T325I116-Q302 WeakPolarHBondContact O-CA 3.11Å; K119-Q302 VanDerWaalsContact CA-OE1 3.3Å; Q302-T325 PolarHBondContact O-OG1 2.97Å; Q302-T325 VanDerWaalsContact O-OG1 3.08Å
303A97.1Very high96.5Very high0 Ų036.5 Ų36.50%017%0.173CC..EExtended strand (participates in β ladder)trans-148.1158.4177.600000112.9C115 I116 L296 I301 T324C115-A303 CarbonylContact C-O 3.55Å; C115-A303 WeakPolarHBondContact CA-O 3.5Å; I116-A303 HydrophobicContact CB-CB 4.41Å; I116-A303 PolarHBondContact N-O 2.59Å; I116-A303 PolarHBondContact O-N 2.83Å; L296-A303 HydrophobicContact CD1-CB 3.87Å; I301-A303 PolarHBondContact O-N 3.33Å; A303-T324 CarbonylContact C-O 3.44Å; A303-T324 WeakPolarHBondContact CA-O 3.45Å; A303-T324 VanDerWaalsContact CB-O 3.29Å; A303-T324 WeakPolarHBondContact CB-O 3.47Å
304S97.6Very high96.3Very high16 Ų1634.9 Ų34.911%0.11217%0.167CC..EExtended strand (participates in β ladder)trans-115.3136.6171.5-69.30000110.3F323 T324S304-F323 WeakPolarHBondContact O-CA 3.36Å; S304-T324 PolarHBondContact N-O 3.06Å; S304-T324 PolarHBondContact O-N 2.76Å
305V98.5Very high96.1Very high0 Ų031.7 Ų31.70%016%0.157CC..EExtended strand (participates in β ladder)trans-101.7112.6-179.8-1700000108.3L113 R114 I116 I321 F323L113-V305 HydrophobicContact CB-CB 4.42Å; L113-V305 HydrophobicContact CB-CG1 4.38Å; L113-V305 WeakPolarHBondContact CB-O 3.36Å; L113-V305 HydrophobicContact CD1-CG1 4.2Å; L113-V305 PolarHBondContact N-O 3.29Å; R114-V305 HydrophobicContact CG-CB 4.02Å; R114-V305 HydrophobicContact CG-CG2 3.94Å; R114-V305 PolarHBondContact O-N 3.36Å; I116-V305 HydrophobicContact CD1-CG2 3.69Å; I116-V305 HydrophobicContact CG1-CG2 4.05Å; V305-I321 HydrophobicContact CG1-CG2 3.54Å; V305-F323 HydrophobicContact CB-CE1 4.44Å; V305-F323 HydrophobicContact CG1-CD1 4.32Å; V305-F323 HydrophobicContact CG1-CE1 3.92Å; V305-F323 HydrophobicContact CG1-CZ 4.25Å; V305-F323 HydrophobicContact CG2-CD1 3.79Å; V305-F323 HydrophobicContact CG2-CE1 3.72Å
306W98.4Very high96Very high73 Ų7331.7 Ų31.728%0.27716%0.157SC..EExtended strand (participates in β ladder)trans-113.6136.2-175-63.595.2000111.1P110 L112 I321 N322 T324P110-W306 HydrophobicContact CB-CE3 4.01Å; P110-W306 HydrophobicContact CG-CE3 4.1Å; P110-W306 HydrophobicContact CG-CZ3 4.42Å; L112-W306 HydrophobicContact CB-CD2 4.45Å; L112-W306 HydrophobicContact CB-CE3 3.8Å; L112-W306 HydrophobicContact CB-CH2 3.85Å; L112-W306 HydrophobicContact CB-CZ2 4.48Å; L112-W306 HydrophobicContact CB-CZ3 3.48Å; L112-W306 VanDerWaalsContact CB-CZ3 3.48Å; L112-W306 HydrophobicContact CD1-CD2 3.96Å; L112-W306 HydrophobicContact CD1-CE3 4.18Å; L112-W306 HydrophobicContact CD1-CH2 4.03Å; L112-W306 HydrophobicContact CD1-CZ2 3.79Å; L112-W306 HydrophobicContact CD1-CZ3 4.23Å; L112-W306 HydrophobicContact CD2-CH2 4.42Å; L112-W306 HydrophobicContact CG-CH2 4.31Å; L112-W306 HydrophobicContact CG-CZ3 4.36Å; W306-I321 CarbonylContact O-C 3.53Å; W306-I321 WeakPolarHBondContact O-CA 3.43Å; W306-N322 PolarHBondContact N-O 2.99Å; W306-N322 PolarHBondContact O-N 2.73Å; W306-T324 VanDerWaalsContact CD1-OG1 3.27Å; W306-T324 PolarHBondContact NE1-OG1 3.47Å; W306-T324 VanDerWaalsContact NE1-OG1 3.07Å
307Q98.4Very high96Very high9 Ų931.9 Ų31.94%0.04216%0.158CC..EExtended strand (participates in β ladder)trans-90.2124.3164.9-164.5169.77.100109.9R103 P105 P110 R111 L113R103-Q307 VanDerWaalsContact C-NE2 3.26Å; R103-Q307 VanDerWaalsContact O-CD 3.26Å; R103-Q307 PolarHBondContact O-NE2 3.22Å; R103-Q307 PolarHBondContact O-OE1 3.42Å; P105-Q307 HydrophobicContact CG-CB 4.31Å; P105-Q307 HydrophobicContact CG-CG 4.28Å; P110-Q307 WeakPolarHBondContact CA-O 3.48Å; P110-Q307 WeakPolarHBondContact CB-O 3.43Å; R111-Q307 HydrophobicContact CB-CB 4.36Å; R111-Q307 PolarHBondContact N-O 2.89Å; R111-Q307 PolarHBondContact O-N 3.46Å; L113-Q307 HydrophobicContact CD1-CB 4.22Å; L113-Q307 HydrophobicContact CD2-CB 4.16Å; L113-Q307 HydrophobicContact CG-CB 4.19Å
308V97.8Very high96Very high7 Ų728.6 Ų28.64%0.04214%0.138CC..PPolyproline II helixtrans-75.4135.8-176.3-1800000109.8L312 L313 R320 N322V308-L312 HydrophobicContact CG1-CB 3.8Å; V308-L313 HydrophobicContact CB-CD2 3.97Å; V308-L313 HydrophobicContact CG1-CD2 3.8Å; V308-L313 HydrophobicContact CG1-CG 4.32Å; V308-R320 HydrophobicContact CB-CB 4.08Å; V308-R320 HydrophobicContact CG2-CB 4.07Å; V308-R320 HydrophobicContact CG2-CG 4.03Å; V308-R320 PolarHBondContact N-O 2.92Å; V308-N322 HydrophobicContact CG2-CB 4.26Å; V308-N322 WeakPolarHBondContact CG2-ND2 3.38Å
309P97.8Very high96.1Very high1 Ų125.3 Ų25.31%0.00612%0.121CC..PPolyproline II helixtrans-80.9161.8-177.335.5-36.1000112.1P105 G107 D108 Y109 K311 L312 L313P105-P309 HydrophobicContact CB-CB 4.23Å; P105-P309 CarbonylContact O-C 3.49Å; P105-P309 VanDerWaalsContact O-CA 3.27Å; P105-P309 WeakPolarHBondContact O-CA 3.37Å; G107-P309 WeakPolarHBondContact O-CB 3.47Å; D108-P309 WeakPolarHBondContact O-CG 3.44Å; Y109-P309 WeakPolarHBondContact O-CB 3.31Å; P309-K311 VanDerWaalsContact C-N 3.31Å; P309-K311 PolarHBondContact O-N 3.41Å; P309-L312 HydrophobicContact CG-CB 4.17Å; P309-L312 HydrophobicContact CG-CD1 3.76Å; P309-L312 HydrophobicContact CG-CG 3.93Å; P309-L312 PolarHBondContact O-N 3.48Å; P309-L313 PolarHBondContact O-N 2.96Å
310S97.3Very high96.3Very high0 Ų027.7 Ų27.70%013%0.13CC..G310 helixtrans-55.5-37.4-169.158.70000114.8N24 R25 P105 V106 G107 L312N24-S310 VanDerWaalsContact O-CB 3.25Å; N24-S310 WeakPolarHBondContact O-CB 3.3Å; N24-S310 PolarHBondContact O-OG 3.2Å; R25-S310 WeakPolarHBondContact CD-O 3.5Å; P105-S310 PolarHBondContact O-N 3.39Å; V106-S310 WeakPolarHBondContact CA-OG 3.46Å; G107-S310 PolarHBondContact N-OG 2.97Å; G107-S310 VanDerWaalsContact N-OG 3.08Å; S310-L312 VanDerWaalsContact C-N 3.34Å
311K95.5Very high96.5Very high81 Ų8123 Ų2335%0.35211%0.108SC..G310 helixtrans-75.3-21.1-179.5-68.8177.8172.8-178.80114N24 G107 D108 P309N24-K311 WeakPolarHBondContact O-CG 3.45Å; G107-K311 WeakPolarHBondContact O-CB 3.36Å; G107-K311 WeakPolarHBondContact O-CG 3.47Å; G107-K311 PolarHBondContact O-N 2.87Å; D108-K311 WeakPolarHBondContact OD1-CD 3.3Å; D108-K311 IonicContact OD1-NZ 3.58Å; D108-K311 PolarHBondContact OD1-NZ 2.8Å; D108-K311 IonicContact OD2-NZ 3.59Å; D108-K311 PolarHBondContact OD2-NZ 2.89Å; P309-K311 VanDerWaalsContact C-N 3.31Å; P309-K311 PolarHBondContact O-N 3.41Å
312L94.1Very high96.7Very high98 Ų9824.5 Ų24.551%0.51312%0.116SC..G310 helixtrans-96.5-1.7-179.9-60.2-176.5000113.2V308 P309 S310 R320V308-L312 HydrophobicContact CG1-CB 3.8Å; P309-L312 HydrophobicContact CG-CB 4.17Å; P309-L312 HydrophobicContact CG-CD1 3.76Å; P309-L312 HydrophobicContact CG-CG 3.93Å; P309-L312 PolarHBondContact O-N 3.48Å; S310-L312 VanDerWaalsContact C-N 3.34Å; L312-R320 PolarHBondContact O-NH2 3.22Å
313L95.2Very high96.9Very high13 Ų1322.9 Ų22.97%0.06811%0.108CC..SBendtrans-78.2139173.6-70.2-178.6000110.6R25 L100 T104 V308 P309 E317 R320R25-L313 PolarHBondContact NH1-O 2.76Å; L100-L313 HydrophobicContact CD2-CD1 3.83Å; T104-L313 HydrophobicContact CG2-CD1 3.71Å; V308-L313 HydrophobicContact CB-CD2 3.97Å; V308-L313 HydrophobicContact CG1-CD2 3.8Å; V308-L313 HydrophobicContact CG1-CG 4.32Å; P309-L313 PolarHBondContact O-N 2.96Å; L313-E317 HydrophobicContact CB-CB 4.21Å; L313-E317 HydrophobicContact CD2-CB 4.15Å; L313-R320 HydrophobicContact CD2-CB 3.44Å; L313-R320 VanDerWaalsContact CD2-CB 3.44Å
314A93.3Very high96.9Very high7 Ų723.5 Ų23.56%0.05811%0.112CC..  trans-59.8154.7167.500000110R25 A316 E317R25-A314 PolarHBondContact NH1-O 2.73Å; A314-A316 PolarHBondContact O-N 2.95Å; A314-A316 VanDerWaalsContact O-N 3.07Å; A314-E317 HydrophobicContact CB-CG 4.07Å; A314-E317 WeakPolarHBondContact CB-OE2 3.28Å; A314-E317 PolarHBondContact N-OE2 3.41Å; A314-E317 PolarHBondContact O-N 3.22Å
315K93Very high96.8Very high69 Ų6922.8 Ų22.830%0.311%0.107SC..THydrogen-bonded Turntrans-53-37.7-175.8-68.3-178.3-179.2-176.60112.3Q95 P97 N98Q95-K315 VanDerWaalsContact OE1-NZ 3.09Å; P97-K315 CarbonylContact C-O 3.49Å; P97-K315 WeakPolarHBondContact CA-O 3.17Å; N98-K315 WeakPolarHBondContact CB-O 3.34Å; N98-K315 PolarHBondContact N-O 2.77Å
316A95.4Very high96.6Very high0 Ų023.8 Ų23.80%011%0.114CC..THydrogen-bonded Turntrans-78.2-21.2-178.900000114.8N98 G188 A314 Y341 Y344 L345N98-A316 VanDerWaalsContact CB-O 3.32Å; N98-A316 WeakPolarHBondContact CB-O 3.18Å; N98-A316 PolarHBondContact ND2-O 3.23Å; G188-A316 WeakPolarHBondContact O-CB 3.34Å; G188-A316 PolarHBondContact O-N 3.31Å; G188-A316 VanDerWaalsContact O-N 3.16Å; A314-A316 PolarHBondContact O-N 2.95Å; A314-A316 VanDerWaalsContact O-N 3.07Å; A316-Y341 HydrophobicContact CB-CD1 3.58Å; A316-Y341 HydrophobicContact CB-CE1 3.84Å; A316-Y341 WeakPolarHBondContact O-CD1 3.34Å; A316-Y344 VanDerWaalsContact CA-CD1 3.5Å; A316-Y344 HydrophobicContact CB-CD1 3.39Å; A316-Y344 HydrophobicContact CB-CE1 3.46Å; A316-Y344 VanDerWaalsContact CB-CE1 3.46Å; A316-Y344 HydrophobicContact CB-CG 4.36Å; A316-L345 HydrophobicContact CB-CD2 3.72Å; A316-L345 HydrophobicContact CB-CG 4.24Å
317E96.4Very high96.4Very high4 Ų420.5 Ų20.52%0.01910%0.102CC..  trans-80.8130.8-173-65.7176.4132.100111.1R25 L313 A314 R320 S339 N340 Y341R25-E317 PolarHBondContact NH1-O 2.77Å; R25-E317 PolarHBondContact NH2-O 3.25Å; L313-E317 HydrophobicContact CB-CB 4.21Å; L313-E317 HydrophobicContact CD2-CB 4.15Å; A314-E317 HydrophobicContact CB-CG 4.07Å; A314-E317 WeakPolarHBondContact CB-OE2 3.28Å; A314-E317 PolarHBondContact N-OE2 3.41Å; A314-E317 PolarHBondContact O-N 3.22Å; E317-R320 WeakPolarHBondContact OE1-CD 3.46Å; E317-R320 IonicContact OE1-CZ 3.84Å; E317-R320 IonicContact OE1-NE 3.36Å; E317-R320 IonicContact OE1-NH1 2.75Å; E317-R320 PolarHBondContact OE1-NH1 2.9Å; E317-R320 IonicContact OE2-CZ 3.61Å; E317-R320 IonicContact OE2-NH1 3.14Å; E317-R320 PolarHBondContact OE2-NH1 3.44Å; E317-S339 VanDerWaalsContact OE1-CB 3.32Å; E317-S339 WeakPolarHBondContact OE1-CB 3.46Å; E317-S339 PolarHBondContact OE1-OG 3.02Å; E317-N340 CarbonylContact C-O 3.55Å; E317-N340 WeakPolarHBondContact CA-O 3.44Å; E317-Y341 HydrophobicContact CB-CE1 4.41Å; E317-Y341 HydrophobicContact CG-CD1 4.05Å; E317-Y341 HydrophobicContact CG-CE1 3.42Å; E317-Y341 VanDerWaalsContact CG-CE1 3.42Å
318S97.1Very high96Very high11 Ų1122.6 Ų22.68%0.07711%0.111CC..SBendtrans-86.5-29169.162.60000112.8D99 D101 T104 N340D99-S318 WeakPolarHBondContact O-CA 3.32Å; D99-S318 WeakPolarHBondContact O-CB 3.46Å; D101-S318 PolarHBondContact N-O 3.34Å; T104-S318 PolarHBondContact OG1-O 2.9Å; S318-N340 PolarHBondContact N-O 2.97Å; S318-N340 WeakPolarHBondContact OG-CB 3.48Å; S318-N340 PolarHBondContact OG-ND2 3.29Å; S318-N340 PolarHBondContact OG-O 3.42Å; S318-N340 VanDerWaalsContact OG-O 3.11Å
319A97.7Very high95.7Very high1 Ų126 Ų261%0.00813%0.126CC..EExtended strand (participates in β ladder)trans-156.7151.517500000110.3D101 M285 N340D101-A319 HydrophobicContact CB-CB 3.86Å; M285-A319 HydrophobicContact CE-CB 4.18Å; A319-N340 HydrophobicContact CB-CB 4.32Å; A319-N340 PolarHBondContact O-N 3.5Å
320R98.1Very high95.3Very high51 Ų5129 Ų2919%0.19216%0.157CC..EExtended strand (participates in β ladder)trans-139.8139.5169.3-178.4172.163.3-145.54.4110.2V308 L312 L313 E317 N322 N337 V338 S339V308-R320 HydrophobicContact CB-CB 4.08Å; V308-R320 HydrophobicContact CG2-CB 4.07Å; V308-R320 HydrophobicContact CG2-CG 4.03Å; V308-R320 PolarHBondContact N-O 2.92Å; L312-R320 PolarHBondContact O-NH2 3.22Å; L313-R320 HydrophobicContact CD2-CB 3.44Å; L313-R320 VanDerWaalsContact CD2-CB 3.44Å; E317-R320 WeakPolarHBondContact OE1-CD 3.46Å; E317-R320 IonicContact OE1-CZ 3.84Å; E317-R320 IonicContact OE1-NE 3.36Å; E317-R320 IonicContact OE1-NH1 2.75Å; E317-R320 PolarHBondContact OE1-NH1 2.9Å; E317-R320 IonicContact OE2-CZ 3.61Å; E317-R320 IonicContact OE2-NH1 3.14Å; E317-R320 PolarHBondContact OE2-NH1 3.44Å; R320-N322 WeakPolarHBondContact CD-OD1 3.46Å; R320-N322 WeakPolarHBondContact CG-OD1 3.42Å; R320-N322 PolarHBondContact NE-OD1 3.31Å; R320-N337 HydrophobicContact CG-CB 4.29Å; R320-V338 CarbonylContact C-O 3.52Å; R320-V338 WeakPolarHBondContact CA-O 3.45Å; R320-S339 WeakPolarHBondContact CD-OG 3.37Å; R320-S339 WeakPolarHBondContact CG-OG 3.29Å
321I98.6Very high94.9Very high8 Ų833.2 Ų33.24%0.04118%0.177CC..EExtended strand (participates in β ladder)trans-113.7128.2169.5-67.1171.1000107.8L113 M285 V289 V305 W306 F323 N337 V338L113-I321 HydrophobicContact CD1-CD1 4.14Å; L113-I321 HydrophobicContact CD1-CG1 4.3Å; M285-I321 HydrophobicContact CE-CB 4.48Å; M285-I321 HydrophobicContact CE-CD1 3.91Å; M285-I321 HydrophobicContact CE-CG1 3.93Å; V289-I321 HydrophobicContact CG2-CB 4.39Å; V289-I321 HydrophobicContact CG2-CD1 3.74Å; V289-I321 HydrophobicContact CG2-CG2 4.3Å; V305-I321 HydrophobicContact CG1-CG2 3.54Å; W306-I321 CarbonylContact O-C 3.53Å; W306-I321 WeakPolarHBondContact O-CA 3.43Å; I321-F323 HydrophobicContact CG2-CE2 4.06Å; I321-F323 HydrophobicContact CG2-CZ 4.29Å; I321-N337 CarbonylContact O-C 3.56Å; I321-N337 VanDerWaalsContact O-CA 3.26Å; I321-N337 WeakPolarHBondContact O-CA 3.32Å; I321-V338 PolarHBondContact N-O 2.96Å; I321-V338 PolarHBondContact O-N 2.74Å
322N98.5Very high94.8Very high31 Ų3134 Ų3417%0.16618%0.182CC..EExtended strand (participates in β ladder)trans-108.5143.5176.7-75.2-1.5000110.2W306 V308 R320 T324 N337W306-N322 PolarHBondContact N-O 2.99Å; W306-N322 PolarHBondContact O-N 2.73Å; V308-N322 HydrophobicContact CG2-CB 4.26Å; V308-N322 WeakPolarHBondContact CG2-ND2 3.38Å; R320-N322 WeakPolarHBondContact CD-OD1 3.46Å; R320-N322 WeakPolarHBondContact CG-OD1 3.42Å; R320-N322 PolarHBondContact NE-OD1 3.31Å; N322-T324 HydrophobicContact CB-CG2 4.5Å; N322-N337 WeakPolarHBondContact OD1-CB 3.34Å
323F98.6Very high94.8Very high0 Ų030.9 Ų30.90%016%0.164CC..EExtended strand (participates in β ladder)trans-108.9114170-62.4-97.4000107.5I116 V289 V292 E293 L296 S304 V305 I321 C334 L335 A336 V338I116-F323 HydrophobicContact CD1-CD1 4.26Å; I116-F323 HydrophobicContact CD1-CE1 4.37Å; V289-F323 HydrophobicContact CB-CZ 4.26Å; V289-F323 HydrophobicContact CG1-CZ 3.89Å; V289-F323 HydrophobicContact CG2-CZ 4.33Å; V292-F323 HydrophobicContact CB-CD1 4.48Å; V292-F323 HydrophobicContact CB-CD2 4.26Å; V292-F323 HydrophobicContact CB-CE1 4.1Å; V292-F323 HydrophobicContact CB-CE2 3.85Å; V292-F323 HydrophobicContact CB-CZ 3.75Å; V292-F323 HydrophobicContact CG1-CB 4.35Å; V292-F323 HydrophobicContact CG1-CD1 3.75Å; V292-F323 HydrophobicContact CG1-CD2 3.63Å; V292-F323 HydrophobicContact CG1-CE1 3.87Å; V292-F323 HydrophobicContact CG1-CE2 3.75Å; V292-F323 HydrophobicContact CG1-CG 3.63Å; V292-F323 HydrophobicContact CG1-CZ 3.86Å; V292-F323 HydrophobicContact CG2-CE2 4.16Å; V292-F323 HydrophobicContact CG2-CZ 4.46Å; E293-F323 HydrophobicContact CG-CE1 3.64Å; E293-F323 HydrophobicContact CG-CZ 4.26Å; L296-F323 HydrophobicContact CD1-CB 4.07Å; L296-F323 HydrophobicContact CD1-CD1 3.71Å; L296-F323 HydrophobicContact CD1-CG 4.19Å; S304-F323 WeakPolarHBondContact O-CA 3.36Å; V305-F323 HydrophobicContact CB-CE1 4.44Å; V305-F323 HydrophobicContact CG1-CD1 4.32Å; V305-F323 HydrophobicContact CG1-CE1 3.92Å; V305-F323 HydrophobicContact CG1-CZ 4.25Å; V305-F323 HydrophobicContact CG2-CD1 3.79Å; V305-F323 HydrophobicContact CG2-CE1 3.72Å; I321-F323 HydrophobicContact CG2-CE2 4.06Å; I321-F323 HydrophobicContact CG2-CZ 4.29Å; F323-C334 CarbonylContact O-C 3.53Å; F323-C334 WeakPolarHBondContact O-CA 3.41Å; F323-L335 PolarHBondContact O-N 3.02Å; F323-A336 HydrophobicContact CB-CB 4.28Å; F323-A336 HydrophobicContact CD2-CB 4.05Å; F323-A336 HydrophobicContact CG-CB 4.46Å; F323-A336 PolarHBondContact N-O 3.32Å; F323-V338 HydrophobicContact CE2-CG2 4.28Å
324T97.7Very high94.8Very high14 Ų1431.7 Ų31.79%0.08617%0.17CC..EExtended strand (participates in β ladder)trans-111.7149.5-17968.70000111.2A303 S304 W306 N322 E332 Y333A303-T324 CarbonylContact C-O 3.44Å; A303-T324 WeakPolarHBondContact CA-O 3.45Å; A303-T324 VanDerWaalsContact CB-O 3.29Å; A303-T324 WeakPolarHBondContact CB-O 3.47Å; S304-T324 PolarHBondContact N-O 3.06Å; S304-T324 PolarHBondContact O-N 2.76Å; W306-T324 VanDerWaalsContact CD1-OG1 3.27Å; W306-T324 PolarHBondContact NE1-OG1 3.47Å; W306-T324 VanDerWaalsContact NE1-OG1 3.07Å; N322-T324 HydrophobicContact CB-CG2 4.5Å; T324-E332 WeakPolarHBondContact CB-OE2 3.48Å; T324-E332 PolarHBondContact OG1-OE2 3.39Å; T324-Y333 CarbonylContact C-O 3.56Å; T324-Y333 WeakPolarHBondContact CA-O 3.49Å
325T96Very high95Very high0 Ų031.4 Ų31.40%017%0.168CC..EExtended strand (participates in β ladder)trans-123.2143.6169-176.30000109.2F261 Q302 E332 Y333 L335 A374F261-T325 HydrophobicContact CE1-CG2 4.1Å; F261-T325 HydrophobicContact CZ-CG2 4.46Å; Q302-T325 PolarHBondContact O-OG1 2.97Å; Q302-T325 VanDerWaalsContact O-OG1 3.08Å; T325-E332 WeakPolarHBondContact O-CA 3.32Å; T325-Y333 PolarHBondContact N-O 3.09Å; T325-Y333 PolarHBondContact O-N 3.03Å; T325-L335 HydrophobicContact CG2-CD1 3.8Å; T325-L335 HydrophobicContact CG2-CD2 3.58Å; T325-L335 HydrophobicContact CG2-CG 3.7Å; T325-A374 HydrophobicContact CG2-CB 4.06Å
326P94.2Very high95.3Very high21 Ų2128.1 Ų28.114%0.13615%0.154CC..EExtended strand (participates in β ladder)trans-66.4147.516329.1-34.1000109.7M331 E332P326-M331 CarbonylContact C-O 3.56Å; P326-E332 WeakPolarHBondContact CA-OE1 3.46Å; P326-E332 WeakPolarHBondContact CB-OE1 3.28Å
327S93.1Very high95.4Very high4 Ų429.5 Ų29.53%0.02816%0.161CC..  trans-101.5168.5166.658.20000111.2K329 G330 M331 Y333 E377S327-K329 PolarHBondContact O-N 2.84Å; S327-K329 VanDerWaalsContact O-N 3.16Å; S327-G330 PolarHBondContact O-N 3.17Å; S327-M331 PolarHBondContact N-O 2.67Å; S327-M331 PolarHBondContact OG-N 2.87Å; S327-M331 PolarHBondContact OG-O 2.83Å; S327-Y333 WeakPolarHBondContact OG-CE2 3.3Å; S327-E377 WeakPolarHBondContact CA-OE2 3.36Å
328H91.6Very high95.5Very high53 Ų5329.3 Ų29.325%0.24516%0.161CC..THydrogen-bonded Turntrans-56.5-27.8172.180.5-88.3000113.4L123 C124 N125 D127 G330 E377L123-H328 HydrophobicContact CB-CB 3.85Å; C124-H328 WeakPolarHBondContact O-CB 3.31Å; N125-H328 VanDerWaalsContact CG-CE1 3.45Å; N125-H328 PolarHBondContact OD1-CE1 2.88Å; N125-H328 PolarHBondContact OD1-NE2 2.99Å; D127-H328 IonicContact OD1-CE1 3.71Å; H328-G330 PolarHBondContact O-N 3.07Å; H328-E377 IonicContact CE1-OE1 3.54Å; H328-E377 IonicContact CG-OE1 2.73Å; H328-E377 PolarHBondContact N-OE2 2.88Å; H328-E377 IonicContact ND1-OE1 3.68Å; H328-E377 PolarHBondContact ND1-OE1 2.58Å
329K90.4Very high95.5Very high79 Ų7928.8 Ų28.834%0.34316%0.157SC..THydrogen-bonded Turntrans-76-0.9176.5-60.6175.5179151.50113D127 D259 S327 M331D127-K329 IonicContact OD1-NZ 2.93Å; D127-K329 PolarHBondContact OD1-NZ 2.91Å; D259-K329 IonicContact OD2-NZ 2.9Å; D259-K329 PolarHBondContact OD2-NZ 3.48Å; S327-K329 PolarHBondContact O-N 2.84Å; S327-K329 VanDerWaalsContact O-N 3.16Å; K329-M331 HydrophobicContact CB-CG 4.37Å; K329-M331 PolarHBondContact O-N 2.95Å
330G88.8Confident95.5Very high64 Ų6429 Ų2966%0.6616%0.158SC*.SBendtrans75.98.5-175.400000114.3S327 H328S327-G330 PolarHBondContact O-N 3.17Å; H328-G330 PolarHBondContact O-N 3.07Å
331M90.6Very high95.5Very high88 Ų8826.9 Ų26.943%0.43315%0.15SC..  trans-92.5141.4178.3-62.7-64.1-72.700110.8F256 P326 S327 K329 Y333F256-M331 HydrophobicContact CE1-CE 4.16Å; P326-M331 CarbonylContact C-O 3.56Å; S327-M331 PolarHBondContact N-O 2.67Å; S327-M331 PolarHBondContact OG-N 2.87Å; S327-M331 PolarHBondContact OG-O 2.83Å; K329-M331 HydrophobicContact CB-CG 4.37Å; K329-M331 PolarHBondContact O-N 2.95Å; M331-Y333 HydrophobicContact CB-CE2 3.87Å
332E92.5Very high95.4Very high98 Ų9826.9 Ų26.946%0.45815%0.152SC..EExtended strand (participates in β ladder)trans-89.4126.3175.3-74-74.9144.300111T324 T325 P326T324-E332 WeakPolarHBondContact CB-OE2 3.48Å; T324-E332 PolarHBondContact OG1-OE2 3.39Å; T325-E332 WeakPolarHBondContact O-CA 3.32Å; P326-E332 WeakPolarHBondContact CA-OE1 3.46Å; P326-E332 WeakPolarHBondContact CB-OE1 3.28Å
333Y94.3Very high95.2Very high32 Ų3226.6 Ų26.613%0.12515%0.15CC..EExtended strand (participates in β ladder)trans-116.4134.7177.9-70.3-77.7000111.9F261 T324 T325 S327 M331 L335F261-Y333 HydrophobicContact CB-CD1 3.65Å; F261-Y333 HydrophobicContact CB-CD2 3.9Å; F261-Y333 HydrophobicContact CB-CE1 3.61Å; F261-Y333 HydrophobicContact CB-CE2 3.83Å; F261-Y333 HydrophobicContact CB-CG 3.78Å; F261-Y333 HydrophobicContact CD1-CD1 4.27Å; F261-Y333 AromaticContact CD1-CD2 3.67Å; F261-Y333 HydrophobicContact CD1-CD2 3.67Å; F261-Y333 HydrophobicContact CD1-CE2 4.36Å; F261-Y333 AromaticContact CD1-CG 3.59Å; F261-Y333 HydrophobicContact CD1-CG 3.59Å; F261-Y333 AromaticContact CD2-CD2 3.75Å; F261-Y333 HydrophobicContact CD2-CD2 3.75Å; F261-Y333 AromaticContact CD2-CE2 3.68Å; F261-Y333 HydrophobicContact CD2-CE2 3.68Å; F261-Y333 HydrophobicContact CD2-CG 4.39Å; F261-Y333 HydrophobicContact CE1-CD2 4.07Å; F261-Y333 HydrophobicContact CE1-CG 4.25Å; F261-Y333 HydrophobicContact CE2-CD2 4.13Å; F261-Y333 HydrophobicContact CE2-CE2 4.3Å; F261-Y333 HydrophobicContact CG-CD1 4.11Å; F261-Y333 AromaticContact CG-CD2 3.5Å; F261-Y333 HydrophobicContact CG-CD2 3.5Å; F261-Y333 HydrophobicContact CG-CE1 4.32Å; F261-Y333 AromaticContact CG-CE2 3.72Å; F261-Y333 HydrophobicContact CG-CE2 3.72Å; F261-Y333 AromaticContact CG-CG 3.69Å; F261-Y333 HydrophobicContact CG-CG 3.69Å; F261-Y333 HydrophobicContact CZ-CD2 4.29Å; T324-Y333 CarbonylContact C-O 3.56Å; T324-Y333 WeakPolarHBondContact CA-O 3.49Å; T325-Y333 PolarHBondContact N-O 3.09Å; T325-Y333 PolarHBondContact O-N 3.03Å; S327-Y333 WeakPolarHBondContact OG-CE2 3.3Å; M331-Y333 HydrophobicContact CB-CE2 3.87Å; Y333-L335 PolarHBondContact O-N 3Å
334C95.8Very high95.1Very high30 Ų3026.8 Ų26.820%0.20315%0.151CC..EExtended strand (participates in β ladder)trans-75.7110.8175.7-1730000110.8F323 A336 R370F323-C334 CarbonylContact O-C 3.53Å; F323-C334 WeakPolarHBondContact O-CA 3.41Å; C334-A336 PolarHBondContact SG-O 3.24Å; C334-R370 WeakPolarHBondContact O-CD 3.25Å; C334-R370 PolarHBondContact O-NH1 3.45Å
335L97.3Very high94.9Very high1 Ų126.1 Ų26.11%0.00515%0.147CC..EExtended strand (participates in β ladder)trans-78.7-39.4176.5-62.3-175.9000112L296 I301 F323 T325 Y333 N367 R370 L371 A374L296-L335 HydrophobicContact CD2-CD1 3.73Å; I301-L335 HydrophobicContact CG2-CD1 3.96Å; F323-L335 PolarHBondContact O-N 3.02Å; T325-L335 HydrophobicContact CG2-CD1 3.8Å; T325-L335 HydrophobicContact CG2-CD2 3.58Å; T325-L335 HydrophobicContact CG2-CG 3.7Å; Y333-L335 PolarHBondContact O-N 3Å; L335-N367 PolarHBondContact O-N 3.18Å; L335-R370 HydrophobicContact CD2-CB 3.68Å; L335-R370 WeakPolarHBondContact CD2-O 3.49Å; L335-L371 HydrophobicContact CD1-CD1 4.15Å; L335-A374 HydrophobicContact CD2-CB 4.34Å
336A98.2Very high94.9Very high1 Ų126.1 Ų26.11%0.00815%0.147CC..EExtended strand (participates in β ladder)trans-152.7155-175.900000111.4V292 F323 C334 E365 I366V292-A336 HydrophobicContact CG1-CB 3.74Å; V292-A336 HydrophobicContact CG2-CB 4.38Å; F323-A336 HydrophobicContact CB-CB 4.28Å; F323-A336 HydrophobicContact CD2-CB 4.05Å; F323-A336 HydrophobicContact CG-CB 4.46Å; F323-A336 PolarHBondContact N-O 3.32Å; C334-A336 PolarHBondContact SG-O 3.24Å; A336-E365 CarbonylContact C-O 3.57Å; A336-E365 WeakPolarHBondContact CA-O 3.41Å; A336-E365 WeakPolarHBondContact CB-O 3.22Å; A336-I366 HydrophobicContact CB-CB 4.37Å; A336-I366 HydrophobicContact CB-CG1 3.85Å
337N97.7Very high94.8Very high29 Ų2928.1 Ų28.116%0.15515%0.152CC..EExtended strand (participates in β ladder)trans-138.1147.6173.465.970.4000111.6R320 I321 N322 L364 E365R320-N337 HydrophobicContact CG-CB 4.29Å; I321-N337 CarbonylContact O-C 3.56Å; I321-N337 VanDerWaalsContact O-CA 3.26Å; I321-N337 WeakPolarHBondContact O-CA 3.32Å; N322-N337 WeakPolarHBondContact OD1-CB 3.34Å; N337-L364 VanDerWaalsContact O-CA 3.32Å; N337-L364 WeakPolarHBondContact O-CA 3.46Å; N337-L364 VanDerWaalsContact O-CD1 3.27Å; N337-L364 WeakPolarHBondContact O-CD1 2.99Å; N337-E365 PolarHBondContact N-O 3.02Å; N337-E365 PolarHBondContact O-N 3.41Å
338V98.5Very high94.7Very high0 Ų029.3 Ų29.30%016%0.156CC..EExtended strand (participates in β ladder)trans-122.1117.6170.8-179.20000108M285 L288 V289 R320 I321 F323 Y363 L364M285-V338 HydrophobicContact CE-CG1 4.29Å; M285-V338 WeakPolarHBondContact CE-O 3.36Å; M285-V338 HydrophobicContact CG-CG1 3.73Å; L288-V338 HydrophobicContact CB-CG1 3.96Å; L288-V338 HydrophobicContact CB-CG2 4.12Å; L288-V338 HydrophobicContact CD1-CG1 4.11Å; V289-V338 HydrophobicContact CG2-CB 4.24Å; V289-V338 HydrophobicContact CG2-CG1 4.46Å; V289-V338 HydrophobicContact CG2-CG2 4.05Å; R320-V338 CarbonylContact C-O 3.52Å; R320-V338 WeakPolarHBondContact CA-O 3.45Å; I321-V338 PolarHBondContact N-O 2.96Å; I321-V338 PolarHBondContact O-N 2.74Å; F323-V338 HydrophobicContact CE2-CG2 4.28Å; V338-Y363 CarbonylContact C-O 3.52Å; V338-Y363 WeakPolarHBondContact CA-O 3.48Å; V338-L364 HydrophobicContact CG2-CB 4.38Å; V338-L364 HydrophobicContact CG2-CD1 3.78Å
339S98.1Very high94.8Very high0 Ų027 Ų270%015%0.146CC..EExtended strand (participates in β ladder)trans-113.4135.6-177.7-63.50000111.7E317 R320 L362 Y363E317-S339 VanDerWaalsContact OE1-CB 3.32Å; E317-S339 WeakPolarHBondContact OE1-CB 3.46Å; E317-S339 PolarHBondContact OE1-OG 3.02Å; R320-S339 WeakPolarHBondContact CD-OG 3.37Å; R320-S339 WeakPolarHBondContact CG-OG 3.29Å; S339-L362 WeakPolarHBondContact O-CA 3.49Å; S339-Y363 PolarHBondContact N-O 2.92Å; S339-Y363 PolarHBondContact O-N 3Å
340N97.9Very high94.9Very high4 Ų427.7 Ų27.72%0.02115%0.146CC..EExtended strand (participates in β ladder)trans-101125.1171.3-176.7-0.2000109.5L281 M285 E317 S318 A319 G342 L362L281-N340 WeakPolarHBondContact CD2-ND2 3.37Å; L281-N340 VanDerWaalsContact CD2-OD1 3.31Å; L281-N340 WeakPolarHBondContact CD2-OD1 3.05Å; M285-N340 HydrophobicContact CE-CB 4.4Å; M285-N340 HydrophobicContact SD-CB 3.97Å; E317-N340 CarbonylContact C-O 3.55Å; E317-N340 WeakPolarHBondContact CA-O 3.44Å; S318-N340 PolarHBondContact N-O 2.97Å; S318-N340 WeakPolarHBondContact OG-CB 3.48Å; S318-N340 PolarHBondContact OG-ND2 3.29Å; S318-N340 PolarHBondContact OG-O 3.42Å; S318-N340 VanDerWaalsContact OG-O 3.11Å; A319-N340 HydrophobicContact CB-CB 4.32Å; A319-N340 PolarHBondContact O-N 3.5Å; N340-G342 PolarHBondContact OD1-N 3.38Å; N340-L362 HydrophobicContact CB-CD2 3.8Å
341Y97.1Very high95.2Very high7 Ų724.7 Ų24.73%0.02712%0.115CC..EExtended strand (participates in β ladder)trans-111.4-8177.5-63.6-83.6000113.1N98 A189 I218 A316 E317 D343 Y344 L345 C361 Y363N98-Y341 PolarHBondContact ND2-O 2.94Å; A189-Y341 HydrophobicContact CB-CE1 4.49Å; A189-Y341 PolarHBondContact O-OH 2.88Å; I218-Y341 HydrophobicContact CD1-CD2 3.84Å; I218-Y341 HydrophobicContact CD1-CE1 4.37Å; I218-Y341 HydrophobicContact CD1-CE2 3.31Å; A316-Y341 HydrophobicContact CB-CD1 3.58Å; A316-Y341 HydrophobicContact CB-CE1 3.84Å; A316-Y341 WeakPolarHBondContact O-CD1 3.34Å; E317-Y341 HydrophobicContact CB-CE1 4.41Å; E317-Y341 HydrophobicContact CG-CD1 4.05Å; E317-Y341 HydrophobicContact CG-CE1 3.42Å; E317-Y341 VanDerWaalsContact CG-CE1 3.42Å; Y341-D343 PolarHBondContact O-N 2.96Å; Y341-Y344 WeakPolarHBondContact O-CB 3.48Å; Y341-Y344 PolarHBondContact O-N 3.04Å; Y341-Y344 VanDerWaalsContact O-N 3.14Å; Y341-L345 HydrophobicContact CD1-CD1 3.51Å; Y341-L345 HydrophobicContact CD1-CG 4Å; Y341-L345 HydrophobicContact CD2-CD1 3.95Å; Y341-L345 HydrophobicContact CE1-CD1 4.03Å; Y341-L345 HydrophobicContact CE2-CD1 4.42Å; Y341-L345 HydrophobicContact CG-CD1 3.45Å; Y341-L345 VanDerWaalsContact CG-CD1 3.45Å; Y341-L345 HydrophobicContact CG-CG 4.15Å; Y341-C361 PolarHBondContact N-O 3.21Å; Y341-Y363 HydrophobicContact CE2-CG 4.46Å
342G96.6Very high95.3Very high8 Ų822.7 Ų22.78%0.08211%0.105CC..EExtended strand (participates in β ladder)trans49.3-133.1-171.300000111.5N340 Q360 C361N340-G342 PolarHBondContact OD1-N 3.38Å; G342-Q360 VanDerWaalsContact CA-OE1 3.22Å; G342-Q360 CarbonylContact O-C 3.48Å; G342-Q360 WeakPolarHBondContact O-CA 3.42Å; G342-C361 PolarHBondContact O-N 3.26Å
343D95.3Very high95.3Very high25 Ų2518.2 Ų18.213%0.1349%0.085CC..THydrogen-bonded Turntrans-95.48.8178.270.15.3000114.8R10 Y341 S346 R347 M359 Q360R10-D343 IonicContact CZ-OD1 3.08Å; R10-D343 IonicContact NH1-OD1 2.68Å; R10-D343 PolarHBondContact NH1-OD1 3.19Å; R10-D343 IonicContact NH1-OD2 2.67Å; Y341-D343 PolarHBondContact O-N 2.96Å; D343-S346 VanDerWaalsContact C-OG 3.27Å; D343-S346 VanDerWaalsContact CA-OG 3.26Å; D343-S346 WeakPolarHBondContact CA-OG 3.46Å; D343-S346 PolarHBondContact O-N 3.39Å; D343-S346 PolarHBondContact O-OG 3.43Å; D343-R347 WeakPolarHBondContact O-CB 3.26Å; D343-R347 VanDerWaalsContact O-CG 3.29Å; D343-R347 WeakPolarHBondContact O-CG 3.43Å; D343-R347 PolarHBondContact O-N 2.8Å; D343-R347 IonicContact OD1-NE 2.83Å; D343-R347 PolarHBondContact OD1-NE 3.05Å; D343-R347 IonicContact OD2-CZ 3.65Å; D343-R347 VanDerWaalsContact OD2-CZ 3.23Å; D343-R347 IonicContact OD2-NE 2.81Å; D343-R347 PolarHBondContact OD2-NE 3Å; D343-R347 IonicContact OD2-NH2 3.67Å; D343-R347 PolarHBondContact OD2-NH2 2.98Å; D343-M359 WeakPolarHBondContact CA-O 3.22Å; D343-Q360 VanDerWaalsContact N-OE1 3.15Å
344Y95Very high95Very high4 Ų420 Ų202%0.0169%0.094CC..Hα-helixtrans-64.7-50.1-172.3-179.2-86000112.2L96 N98 A316 Y341 S346 K348L96-Y344 VanDerWaalsContact O-CE2 3.29Å; L96-Y344 WeakPolarHBondContact O-CE2 3.49Å; L96-Y344 PolarHBondContact O-OH 2.99Å; N98-Y344 HydrophobicContact CB-CD2 3.46Å; N98-Y344 VanDerWaalsContact CB-CD2 3.46Å; N98-Y344 HydrophobicContact CB-CE2 4.06Å; N98-Y344 HydrophobicContact CB-CG 3.8Å; N98-Y344 VanDerWaalsContact CG-CB 3.44Å; N98-Y344 WeakPolarHBondContact ND2-CB 3.41Å; A316-Y344 VanDerWaalsContact CA-CD1 3.5Å; A316-Y344 HydrophobicContact CB-CD1 3.39Å; A316-Y344 HydrophobicContact CB-CE1 3.46Å; A316-Y344 VanDerWaalsContact CB-CE1 3.46Å; A316-Y344 HydrophobicContact CB-CG 4.36Å; Y341-Y344 WeakPolarHBondContact O-CB 3.48Å; Y341-Y344 PolarHBondContact O-N 3.04Å; Y341-Y344 VanDerWaalsContact O-N 3.14Å; Y344-S346 VanDerWaalsContact C-N 3.34Å; Y344-K348 HydrophobicContact CD1-CD 4.34Å; Y344-K348 HydrophobicContact CE1-CD 3.78Å; Y344-K348 VanDerWaalsContact CZ-CE 3.42Å; Y344-K348 PolarHBondContact O-N 3.45Å; Y344-K348 VanDerWaalsContact OH-CE 3.25Å; Y344-K348 WeakPolarHBondContact OH-CE 3.29Å; Y344-K348 PolarHBondContact OH-NZ 3.47Å
345L94.5Very high94.5Very high0 Ų024.1 Ų24.10%012%0.121CC..Hα-helixtrans-67.1-38.7179.8-64.1174.4000111.3A189 I218 L222 A316 Y341 K348 L349 M351A189-L345 HydrophobicContact CB-CD1 4.36Å; A189-L345 HydrophobicContact CB-CD2 3.85Å; I218-L345 HydrophobicContact CD1-CD1 3.66Å; L222-L345 HydrophobicContact CD1-CD1 4.16Å; L222-L345 HydrophobicContact CD1-CD2 4.33Å; L222-L345 HydrophobicContact CD2-CB 4.04Å; L222-L345 HydrophobicContact CD2-CD1 3.97Å; A316-L345 HydrophobicContact CB-CD2 3.72Å; A316-L345 HydrophobicContact CB-CG 4.24Å; Y341-L345 HydrophobicContact CD1-CD1 3.51Å; Y341-L345 HydrophobicContact CD1-CG 4Å; Y341-L345 HydrophobicContact CD2-CD1 3.95Å; Y341-L345 HydrophobicContact CE1-CD1 4.03Å; Y341-L345 HydrophobicContact CE2-CD1 4.42Å; Y341-L345 HydrophobicContact CG-CD1 3.45Å; Y341-L345 VanDerWaalsContact CG-CD1 3.45Å; Y341-L345 HydrophobicContact CG-CG 4.15Å; L345-K348 PolarHBondContact O-N 2.95Å; L345-L349 WeakPolarHBondContact O-CB 3.44Å; L345-L349 PolarHBondContact O-N 2.82Å; L345-M351 HydrophobicContact CB-CE 4.15Å
346S94.9Very high93.9Very high0 Ų027.5 Ų27.50%016%0.155CC..Hα-helixtrans-70.2-33.7-177.860.20000112.9D343 Y344 R350 M351 Y358 M359D343-S346 VanDerWaalsContact C-OG 3.27Å; D343-S346 VanDerWaalsContact CA-OG 3.26Å; D343-S346 WeakPolarHBondContact CA-OG 3.46Å; D343-S346 PolarHBondContact O-N 3.39Å; D343-S346 PolarHBondContact O-OG 3.43Å; Y344-S346 VanDerWaalsContact C-N 3.34Å; S346-R350 CarbonylContact O-C 3.48Å; S346-R350 WeakPolarHBondContact O-CA 3.21Å; S346-R350 PolarHBondContact O-N 2.83Å; S346-M351 WeakPolarHBondContact CB-O 3.21Å; S346-M351 PolarHBondContact O-N 3.28Å; S346-Y358 WeakPolarHBondContact O-CD1 3.46Å; S346-M359 WeakPolarHBondContact CB-O 3.28Å; S346-M359 PolarHBondContact OG-O 3.22Å
347R93Very high93.6Very high63 Ų6331.1 Ų31.124%0.23817%0.171CC..Hα-helixtrans-64.8-46.2169.5-76176.9-174.7-80.9-3.9112.6D5 D343 L349 R350 Y358D5-R347 HydrophobicContact CB-CB 4.13Å; D5-R347 WeakPolarHBondContact CB-O 3.39Å; D5-R347 PolarHBondContact N-O 2.72Å; D5-R347 IonicContact OD2-NH1 3.36Å; D5-R347 PolarHBondContact OD2-NH1 3.41Å; D343-R347 WeakPolarHBondContact O-CB 3.26Å; D343-R347 VanDerWaalsContact O-CG 3.29Å; D343-R347 WeakPolarHBondContact O-CG 3.43Å; D343-R347 PolarHBondContact O-N 2.8Å; D343-R347 IonicContact OD1-NE 2.83Å; D343-R347 PolarHBondContact OD1-NE 3.05Å; D343-R347 IonicContact OD2-CZ 3.65Å; D343-R347 VanDerWaalsContact OD2-CZ 3.23Å; D343-R347 IonicContact OD2-NE 2.81Å; D343-R347 PolarHBondContact OD2-NE 3Å; D343-R347 IonicContact OD2-NH2 3.67Å; D343-R347 PolarHBondContact OD2-NH2 2.98Å; R347-L349 VanDerWaalsContact C-N 3.31Å; R347-L349 PolarHBondContact O-N 3.28Å; R347-R350 PolarHBondContact O-N 3.06Å; R347-Y358 HydrophobicContact CG-CD1 4.07Å; R347-Y358 HydrophobicContact CG-CD2 3.53Å; R347-Y358 HydrophobicContact CG-CE1 4.25Å; R347-Y358 HydrophobicContact CG-CE2 3.71Å; R347-Y358 HydrophobicContact CG-CG 3.71Å
348K91.7Very high93.5Very high30 Ų3031.5 Ų31.513%0.1317%0.17CC..Hα-helixtrans-63-38.1178.9-75.4-169.4167.6-159.20112.9P4 Q94 T187 Y344 L345P4-K348 WeakPolarHBondContact CA-O 3.41Å; P4-K348 WeakPolarHBondContact CB-O 3.33Å; Q94-K348 WeakPolarHBondContact O-CE 3.44Å; Q94-K348 PolarHBondContact O-NZ 3.48Å; T187-K348 HydrophobicContact CG2-CB 4.42Å; T187-K348 WeakPolarHBondContact O-CD 3.49Å; T187-K348 PolarHBondContact O-NZ 3.2Å; Y344-K348 HydrophobicContact CD1-CD 4.34Å; Y344-K348 HydrophobicContact CE1-CD 3.78Å; Y344-K348 VanDerWaalsContact CZ-CE 3.42Å; Y344-K348 PolarHBondContact O-N 3.45Å; Y344-K348 VanDerWaalsContact OH-CE 3.25Å; Y344-K348 WeakPolarHBondContact OH-CE 3.29Å; Y344-K348 PolarHBondContact OH-NZ 3.47Å; L345-K348 PolarHBondContact O-N 2.95Å
349L92.7Very high93.4Very high4 Ų431.5 Ų31.52%0.02117%0.17CC..Hα-helixtrans-101.45-176-65.7175.8000114V184 T187 L222 T226 R227 L345 R347 M351V184-L349 HydrophobicContact CG1-CD1 4.39Å; T187-L349 HydrophobicContact CG2-CD1 3.9Å; T187-L349 HydrophobicContact CG2-CD2 3.56Å; T187-L349 HydrophobicContact CG2-CG 3.65Å; L222-L349 HydrophobicContact CB-CD1 3.58Å; L222-L349 HydrophobicContact CD1-CD1 4.13Å; L222-L349 HydrophobicContact CD2-CD1 4.13Å; L222-L349 HydrophobicContact CG-CD1 4.15Å; T226-L349 HydrophobicContact CG2-CD2 4.35Å; R227-L349 PolarHBondContact N-O 2.86Å; L345-L349 WeakPolarHBondContact O-CB 3.44Å; L345-L349 PolarHBondContact O-N 2.82Å; R347-L349 VanDerWaalsContact C-N 3.31Å; R347-L349 PolarHBondContact O-N 3.28Å; L349-M351 VanDerWaalsContact C-N 3.33Å; L349-M351 HydrophobicContact CB-CG 3.72Å; L349-M351 HydrophobicContact CB-SD 4.12Å; L349-M351 HydrophobicContact CD1-SD 4.19Å; L349-M351 PolarHBondContact O-N 3.49Å
350R92.3Very high93.4Very high94 Ų9432.6 Ų32.636%0.35518%0.175SC..THydrogen-bonded Turntrans49.250.4-174.4-63-167.6176.1173.411.2113.2Q3 P4 R227 S346 R347Q3-R350 VanDerWaalsContact O-CD 3.29Å; Q3-R350 WeakPolarHBondContact O-CD 3.29Å; Q3-R350 PolarHBondContact O-NE 3.04Å; Q3-R350 PolarHBondContact O-NH2 3.11Å; P4-R350 PolarHBondContact O-NH2 2.87Å; R227-R350 WeakPolarHBondContact CA-O 3.27Å; R227-R350 PolarHBondContact N-O 3.23Å; S346-R350 CarbonylContact O-C 3.48Å; S346-R350 WeakPolarHBondContact O-CA 3.21Å; S346-R350 PolarHBondContact O-N 2.83Å; R347-R350 PolarHBondContact O-N 3.06Å
351M94.4Very high93.3Very high0 Ų032.4 Ų32.40%017%0.174CC..  trans-93.5115.1174.6-41.7-174.2-67.900108.9L222 L225 L345 S346 L349 M359L222-M351 HydrophobicContact CD2-CE 3.57Å; L222-M351 HydrophobicContact CD2-SD 4.05Å; L225-M351 HydrophobicContact CB-CB 4.35Å; L225-M351 HydrophobicContact CB-CG 4.11Å; L225-M351 HydrophobicContact CB-SD 3.59Å; L225-M351 VanDerWaalsContact CB-SD 3.59Å; L225-M351 HydrophobicContact CD1-SD 4.5Å; L225-M351 WeakPolarHBondContact O-CG 3.49Å; L345-M351 HydrophobicContact CB-CE 4.15Å; S346-M351 WeakPolarHBondContact CB-O 3.21Å; S346-M351 PolarHBondContact O-N 3.28Å; L349-M351 VanDerWaalsContact C-N 3.33Å; L349-M351 HydrophobicContact CB-CG 3.72Å; L349-M351 HydrophobicContact CB-SD 4.12Å; L349-M351 HydrophobicContact CD1-SD 4.19Å; L349-M351 PolarHBondContact O-N 3.49Å; M351-M359 HydrophobicContact CB-CE 4.04Å; M351-M359 HydrophobicContact CB-CG 4.29Å; M351-M359 HydrophobicContact CB-SD 3.52Å; M351-M359 VanDerWaalsContact CB-SD 3.52Å; M351-M359 PolarHBondContact O-N 3.49Å; M351-M359 VanDerWaalsContact O-N 3.17Å
352M94.1Very high93.4Very high47 Ų4732 Ų3223%0.23217%0.173CC..EExtended strand (participates in β ladder)trans-121.4142.9-171-68.8-179.9-73.300112R228 S229 L230 K357 Y358 M359R228-M352 PolarHBondContact O-N 3.11Å; S229-M352 CarbonylContact C-O 3.48Å; S229-M352 VanDerWaalsContact CA-O 3.22Å; S229-M352 WeakPolarHBondContact CA-O 3.37Å; L230-M352 PolarHBondContact N-O 3.38Å; M352-K357 WeakPolarHBondContact CA-O 3.36Å; M352-Y358 HydrophobicContact CG-CD1 4Å; M352-Y358 HydrophobicContact CG-CE1 4.11Å; M352-M359 VanDerWaalsContact O-CE 3.28Å; M352-M359 WeakPolarHBondContact O-CE 3.46Å
353C93Very high93.5Very high4 Ų432 Ų323%0.02717%0.17CC..EExtended strand (participates in β ladder)trans-75.5-40.6166.2-64.90000110.4L230 L236 D276 K357L230-C353 HydrophobicContact CD1-CB 4.5Å; L236-C353 HydrophobicContact CD1-CB 4.49Å; D276-C353 HydrophobicContact CB-CB 4.02Å; C353-K357 PolarHBondContact N-O 3.41Å
354H87.4Confident93.6Very high68 Ų6830.8 Ų30.832%0.31516%0.164SC..EExtended strand (participates in β ladder)trans-151.5161.7176.6-6.569.2000107.3G356 K357H354-G356 PolarHBondContact O-N 2.81Å; H354-G356 VanDerWaalsContact O-N 3.13Å; H354-K357 PolarHBondContact O-N 3.34Å
355P85.2Confident93.7Very high118 Ų11832.8 Ų32.877%0.76617%0.173SC*.THydrogen-bonded Turntrans-47.5123.6175.7-27.835.3000111.8K357P355-K357 VanDerWaalsContact C-N 3.34Å; P355-K357 PolarHBondContact O-N 3.04Å
356G85.3Confident93.9Very high71 Ų7132.8 Ų32.873%0.73217%0.173SC*.THydrogen-bonded Turntrans83.2-5.1179.500000116.3H354H354-G356 PolarHBondContact O-N 2.81Å; H354-G356 VanDerWaalsContact O-N 3.13Å
357K92.1Very high94Very high78 Ų7833.4 Ų33.434%0.33918%0.177SC..EExtended strand (participates in β ladder)trans-122.3106.7179.3-177.2163.5172.2-164.30110.6D276 M352 C353 H354 P355D276-K357 WeakPolarHBondContact O-CE 3.49Å; D276-K357 IonicContact OD2-NZ 2.68Å; D276-K357 PolarHBondContact OD2-NZ 3.43Å; M352-K357 WeakPolarHBondContact CA-O 3.36Å; C353-K357 PolarHBondContact N-O 3.41Å; H354-K357 PolarHBondContact O-N 3.34Å; P355-K357 VanDerWaalsContact C-N 3.34Å; P355-K357 PolarHBondContact O-N 3.04Å
358Y94.6Very high94.2Very high36 Ų3630.4 Ų30.414%0.14117%0.166CC..EExtended strand (participates in β ladder)trans-73.1148.7-179.5-66.8-71.8000112.2D5 S346 R347 M352D5-Y358 WeakPolarHBondContact CB-OH 3.26Å; D5-Y358 VanDerWaalsContact OD2-CE2 3.25Å; D5-Y358 WeakPolarHBondContact OD2-CE2 3.4Å; D5-Y358 VanDerWaalsContact OD2-CZ 3.28Å; D5-Y358 PolarHBondContact OD2-OH 2.93Å; S346-Y358 WeakPolarHBondContact O-CD1 3.46Å; R347-Y358 HydrophobicContact CG-CD1 4.07Å; R347-Y358 HydrophobicContact CG-CD2 3.53Å; R347-Y358 HydrophobicContact CG-CE1 4.25Å; R347-Y358 HydrophobicContact CG-CE2 3.71Å; R347-Y358 HydrophobicContact CG-CG 3.71Å; M352-Y358 HydrophobicContact CG-CD1 4Å; M352-Y358 HydrophobicContact CG-CE1 4.11Å
359M96.3Very high94.4Very high0 Ų029.8 Ų29.80%016%0.163CC..PPolyproline II helixtrans-65.1142.3175-67.1174.8-172.700111.3L225 L230 I274 D343 S346 M351 M352L225-M359 HydrophobicContact CD1-SD 4.2Å; L225-M359 HydrophobicContact CD2-CE 4.21Å; L230-M359 HydrophobicContact CD1-CE 4.04Å; L230-M359 HydrophobicContact CD2-CE 3.64Å; L230-M359 HydrophobicContact CG-CE 3.59Å; I274-M359 HydrophobicContact CD1-SD 4.34Å; I274-M359 HydrophobicContact CG2-CB 3.85Å; I274-M359 HydrophobicContact CG2-CG 3.65Å; I274-M359 HydrophobicContact CG2-SD 3.79Å; D343-M359 WeakPolarHBondContact CA-O 3.22Å; S346-M359 WeakPolarHBondContact CB-O 3.28Å; S346-M359 PolarHBondContact OG-O 3.22Å; M351-M359 HydrophobicContact CB-CE 4.04Å; M351-M359 HydrophobicContact CB-CG 4.29Å; M351-M359 HydrophobicContact CB-SD 3.52Å; M351-M359 VanDerWaalsContact CB-SD 3.52Å; M351-M359 PolarHBondContact O-N 3.49Å; M351-M359 VanDerWaalsContact O-N 3.17Å; M352-M359 VanDerWaalsContact O-CE 3.28Å; M352-M359 WeakPolarHBondContact O-CE 3.46Å
360Q97.3Very high94.6Very high23 Ų2333 Ų3311%0.10718%0.175CC..EExtended strand (participates in β ladder)trans-92.9133.8161.4-48.4-67.4-40.200109.3I274 L275 S277 L281 G342 D343I274-Q360 WeakPolarHBondContact CA-O 3.34Å; L275-Q360 HydrophobicContact CB-CB 4.13Å; L275-Q360 PolarHBondContact N-O 2.94Å; L275-Q360 PolarHBondContact O-N 3.06Å; S277-Q360 WeakPolarHBondContact O-CG 3.33Å; L281-Q360 HydrophobicContact CD1-CB 3.9Å; G342-Q360 VanDerWaalsContact CA-OE1 3.22Å; G342-Q360 CarbonylContact O-C 3.48Å; G342-Q360 WeakPolarHBondContact O-CA 3.42Å; D343-Q360 VanDerWaalsContact N-OE1 3.15Å
361C97.6Very high94.8Very high0 Ų028.6 Ų28.60%016%0.158CC..EExtended strand (participates in β ladder)trans-117.9125.5-170.6-600000111.5F272 Y341 G342F272-C361 HydrophobicContact CE2-CB 3.83Å; F272-C361 HydrophobicContact CZ-CB 3.76Å; Y341-C361 PolarHBondContact N-O 3.21Å; G342-C361 PolarHBondContact O-N 3.26Å
362L98.2Very high94.9Very high0 Ų028.6 Ų28.60%016%0.158CC..EExtended strand (participates in β ladder)trans-115.6147.6165.2-60.5173.8000109.4F272 V273 L275 L281 K284 M285 L288 S339 N340F272-L362 WeakPolarHBondContact CA-O 3.24Å; F272-L362 VanDerWaalsContact CD2-O 3.32Å; F272-L362 WeakPolarHBondContact CD2-O 3.41Å; V273-L362 HydrophobicContact CB-CB 4.22Å; V273-L362 PolarHBondContact N-O 3Å; V273-L362 PolarHBondContact O-N 3.36Å; L275-L362 HydrophobicContact CD1-CD1 4.33Å; L281-L362 HydrophobicContact CD1-CD1 4.12Å; L281-L362 HydrophobicContact CD1-CD2 3.51Å; L281-L362 HydrophobicContact CD1-CG 3.64Å; L281-L362 HydrophobicContact CG-CD2 4.1Å; K284-L362 HydrophobicContact CB-CD1 3.62Å; M285-L362 HydrophobicContact CB-CD1 4.24Å; M285-L362 HydrophobicContact CB-CD2 4.17Å; L288-L362 HydrophobicContact CD1-CB 3.96Å; L288-L362 HydrophobicContact CD1-CD1 4.29Å; S339-L362 WeakPolarHBondContact O-CA 3.49Å; N340-L362 HydrophobicContact CB-CD2 3.8Å
363Y98.1Very high95Very high6 Ų626.3 Ų26.32%0.02415%0.147CC..EExtended strand (participates in β ladder)trans-133.6145.9178.4-177.1-112.4000110S217 I218 Y221 T270 A271 F272 V338 S339 Y341 E365S217-Y363 VanDerWaalsContact C-OH 3.24Å; S217-Y363 VanDerWaalsContact CA-OH 3.28Å; S217-Y363 WeakPolarHBondContact CA-OH 3.44Å; I218-Y363 HydrophobicContact CB-CD1 4.3Å; I218-Y363 HydrophobicContact CB-CD2 3.82Å; I218-Y363 HydrophobicContact CB-CE1 4.19Å; I218-Y363 HydrophobicContact CB-CE2 3.72Å; I218-Y363 HydrophobicContact CB-CG 4.11Å; I218-Y363 HydrophobicContact CD1-CD1 4.48Å; I218-Y363 HydrophobicContact CD1-CD2 4.22Å; I218-Y363 HydrophobicContact CD1-CG 3.97Å; I218-Y363 HydrophobicContact CG1-CD2 3.86Å; I218-Y363 HydrophobicContact CG1-CE2 4.25Å; I218-Y363 HydrophobicContact CG1-CG 4.11Å; I218-Y363 PolarHBondContact N-OH 3.38Å; Y221-Y363 HydrophobicContact CD2-CE2 4.41Å; Y221-Y363 HydrophobicContact CE2-CE2 4.21Å; T270-Y363 HydrophobicContact CG2-CE2 4.28Å; T270-Y363 WeakPolarHBondContact CG2-OH 3.43Å; A271-Y363 CarbonylContact O-C 3.56Å; A271-Y363 WeakPolarHBondContact O-CA 3.36Å; A271-Y363 VanDerWaalsContact O-CD2 3.31Å; A271-Y363 WeakPolarHBondContact O-CD2 3.14Å; F272-Y363 HydrophobicContact CD2-CD2 4.25Å; V338-Y363 CarbonylContact C-O 3.52Å; V338-Y363 WeakPolarHBondContact CA-O 3.48Å; S339-Y363 PolarHBondContact N-O 2.92Å; S339-Y363 PolarHBondContact O-N 3Å; Y341-Y363 HydrophobicContact CE2-CG 4.46Å; Y363-E365 HydrophobicContact CE1-CB 3.76Å
364L98.3Very high95.1Very high0 Ų026.1 Ų26.10%015%0.146CC..EExtended strand (participates in β ladder)trans-132.8136.2172.3159.762.9000107.9F166 T270 A271 L288 V292 N337 V338 I366F166-L364 HydrophobicContact CE1-CD2 3.93Å; F166-L364 HydrophobicContact CZ-CD2 3.56Å; T270-L364 CarbonylContact C-O 3.52Å; T270-L364 VanDerWaalsContact CA-O 3.26Å; T270-L364 WeakPolarHBondContact CA-O 3.4Å; A271-L364 HydrophobicContact CB-CB 4.23Å; A271-L364 HydrophobicContact CB-CD2 4.44Å; A271-L364 PolarHBondContact N-O 2.95Å; A271-L364 PolarHBondContact O-N 3.34Å; L288-L364 HydrophobicContact CB-CD2 4.36Å; L288-L364 HydrophobicContact CD1-CB 4.34Å; L288-L364 HydrophobicContact CD2-CD2 4.09Å; V292-L364 HydrophobicContact CG2-CD1 3.46Å; V292-L364 VanDerWaalsContact CG2-CD1 3.46Å; V292-L364 HydrophobicContact CG2-CD2 4.09Å; V292-L364 HydrophobicContact CG2-CG 4.47Å; N337-L364 VanDerWaalsContact O-CA 3.32Å; N337-L364 WeakPolarHBondContact O-CA 3.46Å; N337-L364 VanDerWaalsContact O-CD1 3.27Å; N337-L364 WeakPolarHBondContact O-CD1 2.99Å; V338-L364 HydrophobicContact CG2-CB 4.38Å; V338-L364 HydrophobicContact CG2-CD1 3.78Å; L364-I366 HydrophobicContact CD1-CD1 4.35Å; L364-I366 HydrophobicContact CD1-CG1 3.9Å; L364-I366 HydrophobicContact CG-CG1 4.44Å
365E97.5Very high95.4Very high46 Ų4622.9 Ų22.922%0.21513%0.131CC..EExtended strand (participates in β ladder)trans-128.8136.1170.5-179.4179.9-173.200109.7S268 L269 T270 A336 N337 Y363S268-E365 PolarHBondContact OG-OE1 3.15Å; L269-E365 WeakPolarHBondContact O-CA 3.36Å; T270-E365 HydrophobicContact CG2-CG 4.29Å; A336-E365 CarbonylContact C-O 3.57Å; A336-E365 WeakPolarHBondContact CA-O 3.41Å; A336-E365 WeakPolarHBondContact CB-O 3.22Å; N337-E365 PolarHBondContact N-O 3.02Å; N337-E365 PolarHBondContact O-N 3.41Å; Y363-E365 HydrophobicContact CE1-CB 3.76Å
366I98Very high95.9Very high0 Ų017.3 Ų17.30%09%0.094CC..EExtended strand (participates in β ladder)trans-125.6122.2173.5-60164.6000107.2V162 F166 S268 L269 V292 M295 A336 L364 L368 L371V162-I366 HydrophobicContact CG1-CD1 4.42Å; F166-I366 HydrophobicContact CE2-CD1 3.92Å; F166-I366 HydrophobicContact CZ-CD1 4.04Å; S268-I366 CarbonylContact C-O 3.5Å; S268-I366 WeakPolarHBondContact CA-O 3.24Å; S268-I366 WeakPolarHBondContact CB-O 3.27Å; L269-I366 HydrophobicContact CD2-CD1 4.11Å; L269-I366 PolarHBondContact N-O 3.3Å; L269-I366 PolarHBondContact O-N 2.86Å; V292-I366 HydrophobicContact CG2-CD1 4.37Å; V292-I366 HydrophobicContact CG2-CG1 4.46Å; M295-I366 HydrophobicContact CE-CD1 4.29Å; M295-I366 HydrophobicContact CE-CG2 3.89Å; M295-I366 HydrophobicContact SD-CD1 3.93Å; M295-I366 HydrophobicContact SD-CG2 4.11Å; A336-I366 HydrophobicContact CB-CB 4.37Å; A336-I366 HydrophobicContact CB-CG1 3.85Å; L364-I366 HydrophobicContact CD1-CD1 4.35Å; L364-I366 HydrophobicContact CD1-CG1 3.9Å; L364-I366 HydrophobicContact CG-CG1 4.44Å; I366-L368 HydrophobicContact CG2-CD2 4Å; I366-L371 HydrophobicContact CG2-CD2 4.28Å
367N96.9Very high96.4Very high14 Ų1414 Ų148%0.0756%0.06CC..EExtended strand (participates in β ladder)trans-88.2112.7175.4-171.2-52.4000109.9S266 L335 H369 R370 L371S266-N367 PolarHBondContact OG-ND2 3Å; L335-N367 PolarHBondContact O-N 3.18Å; N367-H369 PolarHBondContact OD1-N 3.25Å; N367-R370 HydrophobicContact CB-CB 4.11Å; N367-R370 HydrophobicContact CB-CG 4.02Å; N367-R370 WeakPolarHBondContact OD1-CG 3.4Å; N367-R370 PolarHBondContact OD1-N 2.95Å; N367-L371 WeakPolarHBondContact O-CB 3.38Å; N367-L371 PolarHBondContact O-N 2.87Å
368L97.5Very high96.4Very high0 Ų011 Ų110%05%0.047CC..Hα-helixtrans-77.4-26.2-173.6-56.8179.6000112.8L155 E159 V162 I243 R267 I366 L371 L372L155-L368 HydrophobicContact CD1-CB 4.06Å; E159-L368 HydrophobicContact CG-CD1 3.82Å; V162-L368 HydrophobicContact CG2-CD2 4.12Å; I243-L368 HydrophobicContact CD1-CD1 3.61Å; I243-L368 HydrophobicContact CG1-CD1 3.92Å; R267-L368 HydrophobicContact CB-CB 4.21Å; R267-L368 HydrophobicContact CB-CD1 4.38Å; R267-L368 WeakPolarHBondContact O-CB 3.38Å; R267-L368 PolarHBondContact O-N 3.42Å; I366-L368 HydrophobicContact CG2-CD2 4Å; L368-L371 HydrophobicContact CD2-CD2 4.37Å; L368-L372 VanDerWaalsContact O-CB 3.27Å; L368-L372 WeakPolarHBondContact O-CB 3.04Å; L368-L372 PolarHBondContact O-N 3.36Å
369H96.1Very high96.2Very high16 Ų1611.9 Ų11.97%0.0745%0.05CC..Hα-helixtrans-71.1-41.9173.6-7759.5000111.4L260 F263 R267 N367 L371 L372 A373L260-H369 CarbonylContact O-C 3.55Å; F263-H369 AromaticContact CD2-CD2 3.43Å; F263-H369 VanDerWaalsContact CD2-CD2 3.43Å; F263-H369 WeakPolarHBondContact CD2-CD2 3.46Å; F263-H369 AromaticContact CE2-CD2 3.71Å; R267-H369 PolarHBondContact N-CE1 3.29Å; R267-H369 PolarHBondContact N-ND1 2.99Å; N367-H369 PolarHBondContact OD1-N 3.25Å; H369-L371 VanDerWaalsContact C-N 3.29Å; H369-L371 PolarHBondContact O-N 2.76Å; H369-L372 WeakPolarHBondContact O-CB 3.44Å; H369-L372 PolarHBondContact O-N 3.46Å; H369-A373 PolarHBondContact O-N 2.96Å
370R96Very high95.9Very high73 Ų7312.3 Ų12.328%0.2755%0.052SC..Hα-helixtrans-63.9-38.7173.7-65.3-175.9173.6160.54.6111.9F261 C334 L335 N367 A373 A374F261-R370 HydrophobicContact CD1-CB 3.98Å; F261-R370 HydrophobicContact CD1-CG 4.03Å; F261-R370 HydrophobicContact CE1-CB 4.39Å; F261-R370 WeakPolarHBondContact CE1-O 3.21Å; F261-R370 PolarHBondContact O-NE 2.93Å; F261-R370 PolarHBondContact O-NH2 3.13Å; C334-R370 WeakPolarHBondContact O-CD 3.25Å; C334-R370 PolarHBondContact O-NH1 3.45Å; L335-R370 HydrophobicContact CD2-CB 3.68Å; L335-R370 WeakPolarHBondContact CD2-O 3.49Å; N367-R370 HydrophobicContact CB-CB 4.11Å; N367-R370 HydrophobicContact CB-CG 4.02Å; N367-R370 WeakPolarHBondContact OD1-CG 3.4Å; N367-R370 PolarHBondContact OD1-N 2.95Å; R370-A373 WeakPolarHBondContact O-CB 3.42Å; R370-A373 PolarHBondContact O-N 2.97Å; R370-A374 WeakPolarHBondContact O-CB 3.4Å; R370-A374 PolarHBondContact O-N 2.99Å
371L97Very high95.4Very high0 Ų013.4 Ų13.40%06%0.062CC..Hα-helixtrans-66-42.2176-166.366.1000111.2L158 M295 L296 L299 I301 L335 I366 N367 L368 H369 A374 I375L158-L371 HydrophobicContact CD1-CD2 3.84Å; L158-L371 HydrophobicContact CD1-CG 4.4Å; L158-L371 HydrophobicContact CD2-CB 4.09Å; L158-L371 HydrophobicContact CD2-CD2 4.03Å; L158-L371 HydrophobicContact CD2-CG 4.11Å; L158-L371 HydrophobicContact CG-CD2 4.3Å; M295-L371 HydrophobicContact CE-CD1 4.03Å; M295-L371 HydrophobicContact CE-CD2 3.74Å; M295-L371 HydrophobicContact SD-CD2 3.8Å; L296-L371 HydrophobicContact CD2-CD1 3.79Å; L299-L371 HydrophobicContact CD1-CD1 3.96Å; L299-L371 HydrophobicContact CD1-CD2 3.76Å; L299-L371 HydrophobicContact CD1-CG 3.96Å; I301-L371 HydrophobicContact CD1-CD1 3.38Å; I301-L371 HydrophobicContact CD1-CG 4.17Å; L335-L371 HydrophobicContact CD1-CD1 4.15Å; I366-L371 HydrophobicContact CG2-CD2 4.28Å; N367-L371 WeakPolarHBondContact O-CB 3.38Å; N367-L371 PolarHBondContact O-N 2.87Å; L368-L371 HydrophobicContact CD2-CD2 4.37Å; H369-L371 VanDerWaalsContact C-N 3.29Å; H369-L371 PolarHBondContact O-N 2.76Å; L371-A374 PolarHBondContact O-N 3.41Å; L371-I375 VanDerWaalsContact O-CG1 3.3Å; L371-I375 WeakPolarHBondContact O-CG1 2.74Å; L371-I375 PolarHBondContact O-N 3.01Å
372L96.5Very high94.5Very high0 Ų017.5 Ų17.50%08%0.084CC..Hα-helixtrans-58.3-47.5172176.568.6000111.7L147 L154 L155 L158 L260 L368 H369 A374 I375 I376L147-L372 HydrophobicContact CD1-CD2 4.49Å; L147-L372 HydrophobicContact CD2-CD2 3.66Å; L154-L372 HydrophobicContact CB-CD1 3.97Å; L154-L372 HydrophobicContact CD2-CD1 3.44Å; L154-L372 VanDerWaalsContact CD2-CD1 3.44Å; L154-L372 HydrophobicContact CG-CD1 3.49Å; L154-L372 VanDerWaalsContact CG-CD1 3.49Å; L155-L372 HydrophobicContact CB-CD2 4.11Å; L155-L372 HydrophobicContact CD1-CD2 4.4Å; L158-L372 HydrophobicContact CD2-CB 4.33Å; L260-L372 HydrophobicContact CD1-CD2 3.97Å; L260-L372 HydrophobicContact CD1-CG 4.16Å; L260-L372 HydrophobicContact CD2-CD2 4.43Å; L368-L372 VanDerWaalsContact O-CB 3.27Å; L368-L372 WeakPolarHBondContact O-CB 3.04Å; L368-L372 PolarHBondContact O-N 3.36Å; H369-L372 WeakPolarHBondContact O-CB 3.44Å; H369-L372 PolarHBondContact O-N 3.46Å; L372-A374 VanDerWaalsContact C-N 3.33Å; L372-A374 PolarHBondContact O-N 3.48Å; L372-I375 PolarHBondContact O-N 3.37Å; L372-I376 HydrophobicContact CD1-CD1 4.02Å; L372-I376 HydrophobicContact CD1-CG1 4.39Å; L372-I376 HydrophobicContact CG-CD1 3.87Å; L372-I376 WeakPolarHBondContact O-CG1 3.45Å; L372-I376 PolarHBondContact O-N 3.01Å
373A95.8Very high93.8Very high0 Ų025.3 Ų25.30%013%0.125CC..Hα-helixtrans-55.7-49.917600000110.6L260 F261 H369 R370 I375 I376 E377L260-A373 HydrophobicContact CB-CB 3.64Å; L260-A373 HydrophobicContact CD1-CB 4.3Å; F261-A373 HydrophobicContact CD1-CB 3.99Å; F261-A373 HydrophobicContact CD2-CB 4.02Å; F261-A373 HydrophobicContact CE1-CB 3.67Å; F261-A373 HydrophobicContact CE2-CB 3.71Å; F261-A373 HydrophobicContact CG-CB 4.15Å; F261-A373 HydrophobicContact CZ-CB 3.53Å; H369-A373 PolarHBondContact O-N 2.96Å; R370-A373 WeakPolarHBondContact O-CB 3.42Å; R370-A373 PolarHBondContact O-N 2.97Å; A373-I375 VanDerWaalsContact C-N 3.31Å; A373-I375 PolarHBondContact O-N 3.31Å; A373-I376 PolarHBondContact O-N 3.46Å; A373-I376 VanDerWaalsContact O-N 3.15Å; A373-E377 WeakPolarHBondContact O-CG 3.39Å; A373-E377 PolarHBondContact O-N 2.68Å
374A95.6Very high93.2Very high0 Ų028.6 Ų28.60%014%0.143CC..Hα-helixtrans-59.7-38.4178.300000113.1I301 T325 L335 R370 L371 L372 Q378I301-A374 HydrophobicContact CD1-CB 4.26Å; I301-A374 HydrophobicContact CG2-CB 4.2Å; T325-A374 HydrophobicContact CG2-CB 4.06Å; L335-A374 HydrophobicContact CD2-CB 4.34Å; R370-A374 WeakPolarHBondContact O-CB 3.4Å; R370-A374 PolarHBondContact O-N 2.99Å; L371-A374 PolarHBondContact O-N 3.41Å; L372-A374 VanDerWaalsContact C-N 3.33Å; L372-A374 PolarHBondContact O-N 3.48Å; A374-Q378 VanDerWaalsContact O-CB 3.26Å; A374-Q378 WeakPolarHBondContact O-CB 3.43Å; A374-Q378 VanDerWaalsContact O-CG 3.23Å; A374-Q378 WeakPolarHBondContact O-CG 3.39Å; A374-Q378 PolarHBondContact O-N 2.92Å; A374-Q378 VanDerWaalsContact O-N 3.15Å
375I94.5Very high92.6Very high0 Ų029.1 Ų29.10%015%0.147CC..Hα-helixtrans-62.5-51174.5-68160.1000109.8L154 L158 L299 I301 L371 L372 A373 E377 Q378 W379 L388 P389 L392L154-I375 HydrophobicContact CD2-CG2 4.23Å; L158-I375 HydrophobicContact CD1-CD1 3.99Å; L158-I375 HydrophobicContact CD2-CD1 4.06Å; L299-I375 HydrophobicContact CD1-CD1 4.48Å; L299-I375 HydrophobicContact CD2-CD1 4.06Å; I301-I375 HydrophobicContact CD1-CG1 3.86Å; I301-I375 HydrophobicContact CG1-CG1 4.46Å; L371-I375 VanDerWaalsContact O-CG1 3.3Å; L371-I375 WeakPolarHBondContact O-CG1 2.74Å; L371-I375 PolarHBondContact O-N 3.01Å; L372-I375 PolarHBondContact O-N 3.37Å; A373-I375 VanDerWaalsContact C-N 3.31Å; A373-I375 PolarHBondContact O-N 3.31Å; I375-E377 PolarHBondContact O-N 3.34Å; I375-Q378 PolarHBondContact O-N 3.35Å; I375-W379 VanDerWaalsContact O-CB 3.3Å; I375-W379 WeakPolarHBondContact O-CB 3.37Å; I375-W379 PolarHBondContact O-N 3.47Å; I375-L388 HydrophobicContact CG2-CD2 4.39Å; I375-P389 HydrophobicContact CG2-CG 4.5Å; I375-L392 HydrophobicContact CD1-CD1 4.01Å
376I94.8Very high92Very high0 Ų030.8 Ų30.80%016%0.162CC..Hα-helixtrans-60.2-49.4-178.2-66.3166.5000110.5C124 H126 L129 L130 L154 L260 L372 A373 Q378 W379 W380C124-I376 PolarHBondContact SG-O 2.86Å; H126-I376 HydrophobicContact CB-CB 4.06Å; H126-I376 HydrophobicContact CB-CG2 3.56Å; L129-I376 HydrophobicContact CD2-CG2 3.86Å; L130-I376 HydrophobicContact CD1-CD1 3.86Å; L130-I376 HydrophobicContact CD2-CD1 4.02Å; L130-I376 HydrophobicContact CG-CD1 4.24Å; L154-I376 HydrophobicContact CD2-CG1 4.26Å; L260-I376 HydrophobicContact CD1-CD1 4.01Å; L372-I376 HydrophobicContact CD1-CD1 4.02Å; L372-I376 HydrophobicContact CD1-CG1 4.39Å; L372-I376 HydrophobicContact CG-CD1 3.87Å; L372-I376 WeakPolarHBondContact O-CG1 3.45Å; L372-I376 PolarHBondContact O-N 3.01Å; A373-I376 PolarHBondContact O-N 3.46Å; A373-I376 VanDerWaalsContact O-N 3.15Å; I376-Q378 PolarHBondContact O-N 3.47Å; I376-W379 PolarHBondContact O-N 3.09Å; I376-W380 HydrophobicContact CB-CE3 4.32Å; I376-W380 HydrophobicContact CD1-CZ3 4.29Å; I376-W380 HydrophobicContact CG1-CD2 4.23Å; I376-W380 HydrophobicContact CG1-CE3 3.88Å; I376-W380 HydrophobicContact CG1-CZ3 4.03Å; I376-W380 HydrophobicContact CG2-CB 4.25Å; I376-W380 HydrophobicContact CG2-CD2 4.28Å; I376-W380 HydrophobicContact CG2-CE3 3.78Å; I376-W380 WeakPolarHBondContact O-CB 3.49Å; I376-W380 PolarHBondContact O-N 3.16Å
377E94.7Very high91.4Very high2 Ų232.2 Ų32.21%0.00917%0.174CC..Hα-helixtrans-60.2-31.3-180-67.1-159.516800113.2L123 C124 H126 F261 S327 H328 A373 I375L123-E377 WeakPolarHBondContact CA-O 3.33Å; L123-E377 HydrophobicContact CB-CB 4.36Å; L123-E377 HydrophobicContact CD2-CB 4.46Å; C124-E377 PolarHBondContact N-O 3.02Å; C124-E377 VanDerWaalsContact O-CG 3.23Å; C124-E377 WeakPolarHBondContact O-CG 3.31Å; C124-E377 VanDerWaalsContact SG-CA 3.55Å; H126-E377 HydrophobicContact CB-CG 3.82Å; H126-E377 IonicContact CE1-OE1 3.53Å; H126-E377 IonicContact CG-OE1 3.61Å; H126-E377 IonicContact ND1-OE1 3.62Å; H126-E377 PolarHBondContact ND1-OE1 3.15Å; F261-E377 WeakPolarHBondContact CE2-OE1 3.37Å; S327-E377 WeakPolarHBondContact CA-OE2 3.36Å; H328-E377 IonicContact CE1-OE1 3.54Å; H328-E377 IonicContact CG-OE1 2.73Å; H328-E377 PolarHBondContact N-OE2 2.88Å; H328-E377 IonicContact ND1-OE1 3.68Å; H328-E377 PolarHBondContact ND1-OE1 2.58Å; A373-E377 WeakPolarHBondContact O-CG 3.39Å; A373-E377 PolarHBondContact O-N 2.68Å; I375-E377 PolarHBondContact O-N 3.34Å
378Q92.1Very high90.8Very high15 Ų1532.1 Ų32.17%0.0717%0.174CC..Hα-helixtrans-94.2-25.5-176.1-70.6-172.44600114.2K120 L123 E300 A374 I375 I376K120-Q378 HydrophobicContact CD-CB 3.93Å; K120-Q378 HydrophobicContact CD-CG 4.28Å; K120-Q378 WeakPolarHBondContact CD-O 3.22Å; K120-Q378 PolarHBondContact NZ-O 2.97Å; L123-Q378 HydrophobicContact CD2-CG 3.53Å; E300-Q378 PolarHBondContact O-OE1 2.94Å; A374-Q378 VanDerWaalsContact O-CB 3.26Å; A374-Q378 WeakPolarHBondContact O-CB 3.43Å; A374-Q378 VanDerWaalsContact O-CG 3.23Å; A374-Q378 WeakPolarHBondContact O-CG 3.39Å; A374-Q378 PolarHBondContact O-N 2.92Å; A374-Q378 VanDerWaalsContact O-N 3.15Å; I375-Q378 PolarHBondContact O-N 3.35Å; I376-Q378 PolarHBondContact O-N 3.47Å
379W90.8Very high90.4Very high54 Ų5432.1 Ų32.121%0.20517%0.174CC..Hα-helixtrans-114.2-26.5-172.2-74.586000114L299 E300 I375 I376 A387 L388 P389L299-W379 PolarHBondContact O-NE1 3.11Å; E300-W379 HydrophobicContact CB-CZ2 3.79Å; E300-W379 VanDerWaalsContact CD-CZ2 3.5Å; E300-W379 HydrophobicContact CG-CZ2 3.9Å; E300-W379 WeakPolarHBondContact OE2-CZ2 3.49Å; I375-W379 VanDerWaalsContact O-CB 3.3Å; I375-W379 WeakPolarHBondContact O-CB 3.37Å; I375-W379 PolarHBondContact O-N 3.47Å; I376-W379 PolarHBondContact O-N 3.09Å; W379-A387 HydrophobicContact CE3-CB 4.27Å; W379-L388 WeakPolarHBondContact CZ3-O 3.31Å; W379-P389 HydrophobicContact CD2-CG 4.22Å; W379-P389 HydrophobicContact CG-CG 4.49Å; W379-P389 HydrophobicContact CZ2-CB 3.95Å; W379-P389 HydrophobicContact CZ2-CG 3.85Å
380W90.9Very high90Very high10 Ų1038.3 Ų38.34%0.03820%0.201CC..  trans-101.9154.9-175.6-66.3-0.7000112.2C124 L129 L130 W135 R150 L154 I376 D384 C385 A387 L388C124-W380 VanDerWaalsContact CB-O 3.31Å; C124-W380 WeakPolarHBondContact CB-O 2.89Å; C124-W380 PolarHBondContact SG-O 3.18Å; L129-W380 HydrophobicContact CD2-CB 3.68Å; L129-W380 HydrophobicContact CD2-CE3 3.97Å; L130-W380 HydrophobicContact CD2-CZ3 4.06Å; W135-W380 HydrophobicContact CE3-CH2 4.47Å; W135-W380 AromaticContact CE3-CZ3 3.95Å; W135-W380 HydrophobicContact CE3-CZ3 3.95Å; W135-W380 HydrophobicContact CZ3-CE3 4.39Å; W135-W380 HydrophobicContact CZ3-CH2 4.17Å; W135-W380 AromaticContact CZ3-CZ3 3.72Å; W135-W380 HydrophobicContact CZ3-CZ3 3.72Å; R150-W380 HydrophobicContact CG-CH2 4.15Å; L154-W380 HydrophobicContact CD2-CH2 3.86Å; L154-W380 HydrophobicContact CD2-CZ2 3.58Å; I376-W380 HydrophobicContact CB-CE3 4.32Å; I376-W380 HydrophobicContact CD1-CZ3 4.29Å; I376-W380 HydrophobicContact CG1-CD2 4.23Å; I376-W380 HydrophobicContact CG1-CE3 3.88Å; I376-W380 HydrophobicContact CG1-CZ3 4.03Å; I376-W380 HydrophobicContact CG2-CB 4.25Å; I376-W380 HydrophobicContact CG2-CD2 4.28Å; I376-W380 HydrophobicContact CG2-CE3 3.78Å; I376-W380 WeakPolarHBondContact O-CB 3.49Å; I376-W380 PolarHBondContact O-N 3.16Å; W380-D384 WeakPolarHBondContact CA-O 3.31Å; W380-C385 HydrophobicContact CD2-CB 4.09Å; W380-C385 HydrophobicContact CE3-CB 4.16Å; W380-C385 HydrophobicContact CG-CB 4.39Å; W380-C385 PolarHBondContact NE1-O 3.39Å; W380-A387 PolarHBondContact NE1-O 3.02Å; W380-L388 HydrophobicContact CZ2-CD2 4.26Å
381S85.4Confident89.7Confident46 Ų4635.6 Ų35.632%0.32219%0.193SC..  trans-135.1175167.665.50000109.1D383 D384 C385S381-D383 PolarHBondContact O-N 3.11Å; S381-D384 PolarHBondContact N-O 3.45Å; S381-D384 CarbonylContact O-C 3.49Å; S381-D384 PolarHBondContact OG-N 2.96Å; S381-C385 PolarHBondContact O-SG 2.73Å
382L79.6Confident89.4Confident86 Ų8635.6 Ų35.645%0.4519%0.193SC..SBendtrans-60.3-33.8174.2-78.2163.6000112.5L129 K133L129-L382 HydrophobicContact CD1-CD2 3.74Å; L129-L382 HydrophobicContact CD1-CG 4.19Å; K133-L382 PolarHBondContact NZ-O 2.97Å
383D84Confident88.5Confident164 Ų16439.6 Ų39.688%0.87721%0.214SC*.SBendtrans-87.8-31.4-176.1-59.3-40.8000112.9S381S381-D383 PolarHBondContact O-N 3.11Å
384D84.6Confident87.7Confident75 Ų7546.7 Ų46.740%0.40125%0.245SC..  trans-131.3105.9179.7-173.72.1000111.3W380 S381 C386 A387W380-D384 WeakPolarHBondContact CA-O 3.31Å; S381-D384 PolarHBondContact N-O 3.45Å; S381-D384 CarbonylContact O-C 3.49Å; S381-D384 PolarHBondContact OG-N 2.96Å; D384-C386 WeakPolarHBondContact OD1-CA 3.47Å; D384-C386 WeakPolarHBondContact OD1-CB 3.5Å; D384-C386 PolarHBondContact OD1-N 3.28Å; D384-A387 PolarHBondContact OD1-N 3.36Å
385C85.4Confident86.4Confident11 Ų1149.8 Ų49.87%0.07426%0.259CS..  trans-109.116.4171.4-44.50000111.9W135 R150 W380 S381W135-C385 HydrophobicContact CH2-CB 4.03Å; W135-C385 HydrophobicContact CZ3-CB 3.97Å; R150-C385 PolarHBondContact NE-O 3.33Å; R150-C385 PolarHBondContact NH1-O 3.38Å; R150-C385 PolarHBondContact NH2-O 2.93Å; W380-C385 HydrophobicContact CD2-CB 4.09Å; W380-C385 HydrophobicContact CE3-CB 4.16Å; W380-C385 HydrophobicContact CG-CB 4.39Å; W380-C385 PolarHBondContact NE1-O 3.39Å; S381-C385 PolarHBondContact O-SG 2.73Å
386C85Confident84.7Confident80 Ų8056.3 Ų56.354%0.54129%0.294SS..  trans-100.5-27.4-178.5-70.40000113R150 D384 L388R150-C386 PolarHBondContact NH1-SG 2.93Å; D384-C386 WeakPolarHBondContact OD1-CA 3.47Å; D384-C386 WeakPolarHBondContact OD1-CB 3.5Å; D384-C386 PolarHBondContact OD1-N 3.28Å; C386-L388 PolarHBondContact O-N 2.82Å
387A85.6Confident84.2Confident30 Ų3059.2 Ų59.225%0.24831%0.308CS..  trans-61.1130.1177.300000111.8W379 W380 D384W379-A387 HydrophobicContact CE3-CB 4.27Å; W380-A387 PolarHBondContact NE1-O 3.02Å; D384-A387 PolarHBondContact OD1-N 3.36Å
388L85.7Confident83.7Confident13 Ų1362.2 Ų62.27%0.06832%0.324CS..  trans-141.6156.2178.2-72.4172.2000110.8L154 I375 W379 W380 C386 F390 N396L154-L388 HydrophobicContact CD1-CD1 4.2Å; L154-L388 HydrophobicContact CD1-CD2 3.54Å; L154-L388 HydrophobicContact CD2-CD2 4Å; L154-L388 HydrophobicContact CG-CD2 4.45Å; I375-L388 HydrophobicContact CG2-CD2 4.39Å; W379-L388 WeakPolarHBondContact CZ3-O 3.31Å; W380-L388 HydrophobicContact CZ2-CD2 4.26Å; C386-L388 PolarHBondContact O-N 2.82Å; L388-F390 PolarHBondContact O-N 3.22Å; L388-N396 WeakPolarHBondContact CD1-ND2 3.32Å
389P87.4Confident83.2Confident0 Ų064.8 Ų64.80%034%0.338CS..  trans-54.6136.5166.1-18.926.7000110.9L299 I375 W379 C391 L392 D393L299-P389 HydrophobicContact CD2-CB 4.47Å; L299-P389 HydrophobicContact CD2-CG 4.27Å; L299-P389 WeakPolarHBondContact O-CG 3.16Å; I375-P389 HydrophobicContact CG2-CG 4.5Å; W379-P389 HydrophobicContact CD2-CG 4.22Å; W379-P389 HydrophobicContact CG-CG 4.49Å; W379-P389 HydrophobicContact CZ2-CB 3.95Å; W379-P389 HydrophobicContact CZ2-CG 3.85Å; P389-C391 PolarHBondContact O-N 3.47Å; P389-L392 HydrophobicContact CG-CD1 4.18Å; P389-L392 PolarHBondContact O-N 3.44Å; P389-D393 PolarHBondContact O-N 3.39Å
390F89.5Confident82.7Confident145 Ų14565.4 Ų65.464%0.63635%0.346SS*.Hα-helixtrans-54.7-28.7-179.8177-102.4000113.5L388 L392 D393L388-F390 PolarHBondContact O-N 3.22Å; F390-L392 PolarHBondContact O-N 2.88Å; F390-D393 PolarHBondContact O-N 2.77Å
391C89.5Confident82.2Confident17 Ų1768.9 Ų68.912%0.11537%0.365CS..Hα-helixtrans-67.4-23.6177.1640000113.4Y161 D298 P389 F395Y161-C391 HydrophobicContact CD2-CB 4.27Å; Y161-C391 HydrophobicContact CE2-CB 3.93Å; D298-C391 HydrophobicContact CB-CB 4.4Å; D298-C391 PolarHBondContact O-SG 3.32Å; P389-C391 PolarHBondContact O-N 3.47Å; C391-F395 WeakPolarHBondContact O-CD2 3.35Å; C391-F395 WeakPolarHBondContact O-CE2 3.46Å
392L89.5Confident82Confident0 Ų070.4 Ų70.40%037%0.368CS..Hα-helixtrans-90.8-24.7178.8-62.5-175.5000113.1L154 L158 Y161 L299 I375 P389 F390 K394 F395L154-L392 HydrophobicContact CD1-CD1 3.86Å; L158-L392 HydrophobicContact CD1-CD2 4.3Å; Y161-L392 HydrophobicContact CD1-CD2 4.3Å; Y161-L392 HydrophobicContact CG-CD2 4.1Å; L299-L392 HydrophobicContact CD2-CD1 3.85Å; L299-L392 HydrophobicContact CD2-CD2 4.02Å; L299-L392 HydrophobicContact CD2-CG 3.88Å; I375-L392 HydrophobicContact CD1-CD1 4.01Å; P389-L392 HydrophobicContact CG-CD1 4.18Å; P389-L392 PolarHBondContact O-N 3.44Å; F390-L392 PolarHBondContact O-N 2.88Å; L392-K394 PolarHBondContact O-N 3.21Å; L392-F395 PolarHBondContact O-N 3.36Å
393D78.6Confident82.2Confident83 Ų8369.3 Ų69.344%0.44436%0.362SS..Hα-helixtrans-57.9-25.5177.7-82.3-15.6000113.4P389 F390 F395P389-D393 PolarHBondContact O-N 3.39Å; F390-D393 PolarHBondContact O-N 2.77Å; D393-F395 PolarHBondContact O-N 2.98Å
394K77.4Confident82Confident150 Ų15062 Ų6265%0.65232%0.323SS*.THydrogen-bonded Turntrans-71.2-10176.9-61.3179.5-176.4176.60113.8L392L392-K394 PolarHBondContact O-N 3.21Å
395F68.5Low81.8Confident65 Ų6560.9 Ų60.929%0.28532%0.316SS..THydrogen-bonded Turntrans-123.312-173.9-57-80.2000112.3S157 H160 Y161 C391 L392 D393S157-F395 PolarHBondContact OG-O 2.71Å; H160-F395 HydrophobicContact CB-CD1 3.72Å; H160-F395 HydrophobicContact CB-CE1 4.05Å; H160-F395 HydrophobicContact CB-CG 4.33Å; Y161-F395 HydrophobicContact CD2-CE2 4.15Å; C391-F395 WeakPolarHBondContact O-CD2 3.35Å; C391-F395 WeakPolarHBondContact O-CE2 3.46Å; L392-F395 PolarHBondContact O-N 3.36Å; D393-F395 PolarHBondContact O-N 2.98Å
396N59.9Low81.5Confident137 Ų13765.5 Ų65.573%0.73334%0.338SS*.  trans-93.40171.3-86.1-28.5000112.4L388L388-N396 WeakPolarHBondContact CD1-ND2 3.32Å

Retrieved 396 of 396 residues in 118.9 ms (Link to these results)

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