A0A077ZGN1_TRITR Loading...

Peptidase C1 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZGN1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 315 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M69.1Low71Confident193 Ų19376.5 Ų76.595%0.95139%0.39SS*.  0139.50-77.8-179.5-168.600107.7
2V74.4Confident71.2Confident67 Ų6782.9 Ų82.941%0.40642%0.418SS..  trans-67.7130.8172.3-178.60000108.5Y230 E232 V234V2-Y230 HydrophobicContact CG1-CD2 4.31Å; V2-E232 WeakPolarHBondContact CA-O 3.45Å; V2-V234 VanDerWaalsContact CG2-C 3.47Å; V2-V234 WeakPolarHBondContact CG2-O 3.4Å
3K79.7Confident71.7Confident110 Ų11077.5 Ų77.548%0.47839%0.391SS..EExtended strand (participates in β ladder)trans-99.5128166.1-57.2-169-169.1143.60108.5K231 E232K3-K231 WeakPolarHBondContact O-CB 3.19Å; K3-K231 PolarHBondContact O-N 3.07Å; K3-E232 HydrophobicContact CB-CG 3.59Å; K3-E232 HydrophobicContact CD-CG 3.73Å; K3-E232 WeakPolarHBondContact CD-OE1 3.37Å; K3-E232 WeakPolarHBondContact CE-OE1 3.49Å; K3-E232 HydrophobicContact CG-CG 3.68Å; K3-E232 PolarHBondContact N-O 3.38Å; K3-E232 IonicContact NZ-OE1 2.97Å; K3-E232 PolarHBondContact NZ-OE1 3.08Å; K3-E232 IonicContact NZ-OE2 2.62Å; K3-E232 PolarHBondContact NZ-OE2 3.14Å; K3-E232 PolarHBondContact O-N 2.72Å
4A78.4Confident72.7Confident70 Ų7074.9 Ų74.958%0.57938%0.383SS*.EExtended strand (participates in β ladder)trans-104.8147.816600000108.7V229A4-V229 CarbonylContact C-O 3.5Å; A4-V229 WeakPolarHBondContact CA-O 3.38Å; A4-V229 HydrophobicContact CB-CB 4.29Å; A4-V229 HydrophobicContact CB-CG2 3.89Å
5D72.7Confident73.5Confident81 Ų8176.9 Ų76.943%0.43338%0.384SS..  trans-134.6150.9173.4-156.8-9.9000108.9N7 V229 K231D5-N7 PolarHBondContact O-N 3.04Å; D5-V229 PolarHBondContact N-O 3.48Å; D5-V229 WeakPolarHBondContact O-CB 3.44Å; D5-V229 WeakPolarHBondContact O-CG1 3.48Å; D5-K231 HydrophobicContact CB-CB 4.49Å; D5-K231 HydrophobicContact CB-CD 3.76Å; D5-K231 IonicContact OD2-NZ 2.65Å; D5-K231 PolarHBondContact OD2-NZ 3.22Å
6R66.3Low74.4Confident168 Ų16878.8 Ų78.863%0.63439%0.391SS*.  trans-62.5127.8-174.9-169.9-174.9163.7-163.1-2.1108.8D11 M158R6-D11 IonicContact CZ-OD2 3.72Å; R6-D11 IonicContact NE-OD2 3.04Å; R6-D11 PolarHBondContact NE-OD2 2.98Å; R6-D11 IonicContact NH2-OD2 3.84Å; R6-D11 PolarHBondContact NH2-OD2 2.65Å; R6-M158 HydrophobicContact CB-CE 3.45Å; R6-M158 VanDerWaalsContact CB-CE 3.45Å; R6-M158 VanDerWaalsContact CD-CE 3.49Å; R6-M158 HydrophobicContact CG-CE 3.39Å; R6-M158 WeakPolarHBondContact O-CE 3.22Å
7N66.5Low75.1Confident7 Ų774.1 Ų74.14%0.03737%0.368CS..  trans-110.279.6177.7-165-18.9000110.3D5 Y9 F10 D11 H156 H157 L228 V229D5-N7 PolarHBondContact O-N 3.04Å; N7-Y9 PolarHBondContact O-N 3.02Å; N7-Y9 WeakPolarHBondContact OD1-CB 3.33Å; N7-Y9 PolarHBondContact OD1-N 2.64Å; N7-F10 HydrophobicContact CB-CD2 3.97Å; N7-F10 WeakPolarHBondContact ND2-CD2 3.16Å; N7-F10 WeakPolarHBondContact ND2-CE2 3.39Å; N7-F10 PolarHBondContact O-N 3.35Å; N7-D11 PolarHBondContact O-N 3.4Å; N7-H156 PolarHBondContact ND2-O 2.88Å; N7-H157 WeakPolarHBondContact OD1-CA 3.47Å; N7-L228 PolarHBondContact ND2-O 3.39Å; N7-V229 HydrophobicContact CB-CG1 3.88Å
8A62.8Low75.8Confident15 Ų1570.5 Ų70.512%0.12435%0.35CS..Hα-helixtrans-68.1-10.6-179.400000115F10 D11 E12 M158A8-F10 PolarHBondContact O-N 2.92Å; A8-D11 WeakPolarHBondContact CA-OD2 3.37Å; A8-D11 HydrophobicContact CB-CB 4.09Å; A8-D11 PolarHBondContact O-N 2.99Å; A8-D11 VanDerWaalsContact O-N 3.14Å; A8-E12 PolarHBondContact O-N 2.84Å; A8-M158 HydrophobicContact CB-CE 3.55Å; A8-M158 HydrophobicContact CB-CG 3.42Å; A8-M158 VanDerWaalsContact CB-CG 3.42Å; A8-M158 HydrophobicContact CB-SD 3.12Å; A8-M158 WeakPolarHBondContact CB-SD 3.19Å
9Y67.4Low76.5Confident19 Ų1972.8 Ų72.88%0.07536%0.355CS..Hα-helixtrans-53.7-50162.1169.3-105.8000108.7N7 D11 E12 V13 M21 D155 C165N7-Y9 PolarHBondContact O-N 3.02Å; N7-Y9 WeakPolarHBondContact OD1-CB 3.33Å; N7-Y9 PolarHBondContact OD1-N 2.64Å; Y9-D11 VanDerWaalsContact C-N 3.29Å; Y9-D11 PolarHBondContact O-N 3.05Å; Y9-E12 PolarHBondContact O-N 2.94Å; Y9-V13 HydrophobicContact CD1-CG2 4.21Å; Y9-V13 HydrophobicContact CD2-CG2 3.48Å; Y9-V13 VanDerWaalsContact CD2-CG2 3.48Å; Y9-V13 HydrophobicContact CE1-CG2 3.98Å; Y9-V13 HydrophobicContact CE2-CB 4.49Å; Y9-V13 HydrophobicContact CE2-CG2 3.17Å; Y9-V13 HydrophobicContact CG-CG2 3.98Å; Y9-V13 VanDerWaalsContact CZ-CG2 3.46Å; Y9-V13 VanDerWaalsContact O-CB 3.25Å; Y9-V13 WeakPolarHBondContact O-CB 2.86Å; Y9-V13 WeakPolarHBondContact O-CG2 3.28Å; Y9-V13 PolarHBondContact O-N 2.68Å; Y9-M21 HydrophobicContact CE1-CE 3.86Å; Y9-D155 WeakPolarHBondContact CD2-O 3.45Å; Y9-C165 HydrophobicContact CE2-CB 3.54Å; Y9-C165 WeakPolarHBondContact OH-CB 3.5Å
10F71.4Confident77.1Confident21 Ų2170 Ų709%0.09235%0.345CS..Hα-helixtrans-75.9-10.1177.9-62.8-64.9000115.1N7 A8 I18 M21 L228N7-F10 HydrophobicContact CB-CD2 3.97Å; N7-F10 WeakPolarHBondContact ND2-CD2 3.16Å; N7-F10 WeakPolarHBondContact ND2-CE2 3.39Å; N7-F10 PolarHBondContact O-N 3.35Å; A8-F10 PolarHBondContact O-N 2.92Å; F10-I18 HydrophobicContact CB-CD1 4.1Å; F10-I18 HydrophobicContact CD1-CB 4.34Å; F10-I18 HydrophobicContact CD1-CD1 3.67Å; F10-I18 HydrophobicContact CD1-CG1 3.71Å; F10-I18 HydrophobicContact CD1-CG2 3.91Å; F10-I18 HydrophobicContact CE1-CB 4.48Å; F10-I18 HydrophobicContact CE1-CG1 4.24Å; F10-I18 HydrophobicContact CE1-CG2 3.93Å; F10-I18 HydrophobicContact CG-CD1 4.35Å; F10-M21 HydrophobicContact CE1-CE 3.46Å; F10-M21 VanDerWaalsContact CE1-CE 3.46Å; F10-M21 HydrophobicContact CZ-CE 3.87Å; F10-L228 HydrophobicContact CB-CD1 3.97Å; F10-L228 HydrophobicContact CD1-CD1 3.81Å; F10-L228 HydrophobicContact CD1-CD2 4.44Å; F10-L228 HydrophobicContact CD2-CB 3.54Å; F10-L228 HydrophobicContact CD2-CD1 3.97Å; F10-L228 HydrophobicContact CD2-CD2 4.27Å; F10-L228 HydrophobicContact CD2-CG 4.14Å; F10-L228 HydrophobicContact CE1-CD1 4.2Å; F10-L228 HydrophobicContact CE1-CD2 4Å; F10-L228 HydrophobicContact CE2-CB 3.77Å; F10-L228 HydrophobicContact CE2-CD1 4.39Å; F10-L228 HydrophobicContact CE2-CD2 3.86Å; F10-L228 HydrophobicContact CE2-CG 4.21Å; F10-L228 HydrophobicContact CG-CB 4.1Å; F10-L228 HydrophobicContact CG-CD1 3.66Å; F10-L228 HydrophobicContact CG-CG 4.33Å; F10-L228 HydrophobicContact CZ-CB 4.48Å; F10-L228 HydrophobicContact CZ-CD2 3.72Å; F10-L228 HydrophobicContact CZ-CG 4.45Å
11D72.2Confident77.7Confident91 Ų9166.6 Ų66.649%0.48733%0.328SS..Hα-helixtrans-76.9-31.9172.1-67-14.4000111.6R6 N7 A8 Y9R6-D11 IonicContact CZ-OD2 3.72Å; R6-D11 IonicContact NE-OD2 3.04Å; R6-D11 PolarHBondContact NE-OD2 2.98Å; R6-D11 IonicContact NH2-OD2 3.84Å; R6-D11 PolarHBondContact NH2-OD2 2.65Å; N7-D11 PolarHBondContact O-N 3.4Å; A8-D11 WeakPolarHBondContact CA-OD2 3.37Å; A8-D11 HydrophobicContact CB-CB 4.09Å; A8-D11 PolarHBondContact O-N 2.99Å; A8-D11 VanDerWaalsContact O-N 3.14Å; Y9-D11 VanDerWaalsContact C-N 3.29Å; Y9-D11 PolarHBondContact O-N 3.05Å
12E73.2Confident78.8Confident153 Ų15358.1 Ų58.172%0.71529%0.286SS*.Hα-helixtrans-106-17.4-174.4-62.4-171.6178.400113.4A8 Y9A8-E12 PolarHBondContact O-N 2.84Å; Y9-E12 PolarHBondContact O-N 2.94Å
13V78.6Confident79.6Confident12 Ų1255 Ų557%0.07327%0.267CS..SBendtrans-76.9132.7-179.51710000110.7Y9 Y15 V17 I18Y9-V13 HydrophobicContact CD1-CG2 4.21Å; Y9-V13 HydrophobicContact CD2-CG2 3.48Å; Y9-V13 VanDerWaalsContact CD2-CG2 3.48Å; Y9-V13 HydrophobicContact CE1-CG2 3.98Å; Y9-V13 HydrophobicContact CE2-CB 4.49Å; Y9-V13 HydrophobicContact CE2-CG2 3.17Å; Y9-V13 HydrophobicContact CG-CG2 3.98Å; Y9-V13 VanDerWaalsContact CZ-CG2 3.46Å; Y9-V13 VanDerWaalsContact O-CB 3.25Å; Y9-V13 WeakPolarHBondContact O-CB 2.86Å; Y9-V13 WeakPolarHBondContact O-CG2 3.28Å; Y9-V13 PolarHBondContact O-N 2.68Å; V13-Y15 PolarHBondContact O-N 3.27Å; V13-V17 HydrophobicContact CG1-CB 3.58Å; V13-V17 HydrophobicContact CG1-CG1 3.75Å; V13-V17 HydrophobicContact CG1-CG2 4.38Å; V13-I18 HydrophobicContact CB-CG1 4.28Å; V13-I18 HydrophobicContact CG1-CG1 3.74Å
14P84.5Confident80.2Confident42 Ų4250.4 Ų50.427%0.27325%0.249SC..  trans-56.2134.3174.7-25.634.7000111.8H16 V17 I18 H167P14-H16 VanDerWaalsContact CB-CE1 3.41Å; P14-H16 WeakPolarHBondContact CB-CE1 3.44Å; P14-H16 VanDerWaalsContact CB-ND1 3.31Å; P14-H16 WeakPolarHBondContact CB-ND1 3.18Å; P14-H16 PolarHBondContact O-N 3.11Å; P14-V17 HydrophobicContact CB-CG2 4.23Å; P14-V17 HydrophobicContact CG-CG2 4.41Å; P14-V17 WeakPolarHBondContact O-CB 3.27Å; P14-V17 PolarHBondContact O-N 3.36Å; P14-I18 PolarHBondContact O-N 3.12Å; P14-H167 HydrophobicContact CG-CB 4.33Å
15Y86.1Confident80.5Confident104 Ų10448.6 Ų48.641%0.40823%0.234SC..Hα-helixtrans-51.4-32.1-178-168.8-110.3000113.9V13 V17 I18 R19 L243V13-Y15 PolarHBondContact O-N 3.27Å; Y15-V17 VanDerWaalsContact C-N 3.34Å; Y15-V17 PolarHBondContact O-N 2.95Å; Y15-I18 PolarHBondContact O-N 2.99Å; Y15-R19 HydrophobicContact CD1-CG 4.28Å; Y15-R19 HydrophobicContact CE1-CG 4.07Å; Y15-R19 WeakPolarHBondContact O-CG 3.48Å; Y15-R19 PolarHBondContact O-N 3.07Å; Y15-L243 HydrophobicContact CD2-CD2 4.33Å; Y15-L243 HydrophobicContact CE2-CD2 3.39Å
16H86.5Confident80.1Confident107 Ų10751.4 Ų51.450%0.49524%0.238SC..Hα-helixtrans-67.2-30.517778.3-90.7000113.5P14 G20P14-H16 VanDerWaalsContact CB-CE1 3.41Å; P14-H16 WeakPolarHBondContact CB-CE1 3.44Å; P14-H16 VanDerWaalsContact CB-ND1 3.31Å; P14-H16 WeakPolarHBondContact CB-ND1 3.18Å; P14-H16 PolarHBondContact O-N 3.11Å; H16-G20 WeakPolarHBondContact O-CA 2.99Å; H16-G20 PolarHBondContact O-N 2.92Å
17V86.4Confident79.3Confident0 Ų049.1 Ų49.10%024%0.235CC..Hα-helixtrans-73-44.8174.9179.20000109.7V13 P14 Y15 R19 G20 M21 H167 L169V13-V17 HydrophobicContact CG1-CB 3.58Å; V13-V17 HydrophobicContact CG1-CG1 3.75Å; V13-V17 HydrophobicContact CG1-CG2 4.38Å; P14-V17 HydrophobicContact CB-CG2 4.23Å; P14-V17 HydrophobicContact CG-CG2 4.41Å; P14-V17 WeakPolarHBondContact O-CB 3.27Å; P14-V17 PolarHBondContact O-N 3.36Å; Y15-V17 VanDerWaalsContact C-N 3.34Å; Y15-V17 PolarHBondContact O-N 2.95Å; V17-R19 VanDerWaalsContact C-N 3.32Å; V17-R19 PolarHBondContact O-N 3.04Å; V17-G20 CarbonylContact O-C 3.41Å; V17-G20 WeakPolarHBondContact O-CA 3.16Å; V17-G20 PolarHBondContact O-N 2.9Å; V17-M21 WeakPolarHBondContact O-CG 3.42Å; V17-M21 PolarHBondContact O-N 3.22Å; V17-H167 WeakPolarHBondContact CG2-O 3.41Å; V17-L169 HydrophobicContact CG1-CD2 4.15Å
18I88.1Confident77.8Confident9 Ų959.4 Ų59.45%0.04627%0.274CS..Hα-helixtrans-53.1-52.6175.8-52.3-172.9000110.2F10 V13 P14 Y15 G20 M21 M22 L228 L243F10-I18 HydrophobicContact CB-CD1 4.1Å; F10-I18 HydrophobicContact CD1-CB 4.34Å; F10-I18 HydrophobicContact CD1-CD1 3.67Å; F10-I18 HydrophobicContact CD1-CG1 3.71Å; F10-I18 HydrophobicContact CD1-CG2 3.91Å; F10-I18 HydrophobicContact CE1-CB 4.48Å; F10-I18 HydrophobicContact CE1-CG1 4.24Å; F10-I18 HydrophobicContact CE1-CG2 3.93Å; F10-I18 HydrophobicContact CG-CD1 4.35Å; V13-I18 HydrophobicContact CB-CG1 4.28Å; V13-I18 HydrophobicContact CG1-CG1 3.74Å; P14-I18 PolarHBondContact O-N 3.12Å; Y15-I18 PolarHBondContact O-N 2.99Å; I18-G20 VanDerWaalsContact C-N 3.31Å; I18-G20 PolarHBondContact O-N 2.89Å; I18-M21 PolarHBondContact O-N 3.27Å; I18-M22 WeakPolarHBondContact O-CE 3.3Å; I18-L228 HydrophobicContact CG2-CD1 3.74Å; I18-L228 HydrophobicContact CG2-CD2 4.37Å; I18-L243 HydrophobicContact CG2-CD1 3.93Å; I18-L243 HydrophobicContact CG2-CD2 4.27Å
19R89.1Confident76.4Confident115 Ų11562.2 Ų62.243%0.43431%0.305SS..Hα-helixtrans-66.4-34.9177-64.3-169.378.8162.113.6112.4Y15 V17 M21 M22 L243Y15-R19 HydrophobicContact CD1-CG 4.28Å; Y15-R19 HydrophobicContact CE1-CG 4.07Å; Y15-R19 WeakPolarHBondContact O-CG 3.48Å; Y15-R19 PolarHBondContact O-N 3.07Å; V17-R19 VanDerWaalsContact C-N 3.32Å; V17-R19 PolarHBondContact O-N 3.04Å; R19-M21 PolarHBondContact O-N 2.88Å; R19-M22 WeakPolarHBondContact O-CA 3.44Å; R19-M22 VanDerWaalsContact O-CB 3.3Å; R19-M22 WeakPolarHBondContact O-CB 3.03Å; R19-M22 PolarHBondContact O-N 2.95Å; R19-L243 HydrophobicContact CG-CD2 4.37Å; R19-L243 WeakPolarHBondContact CG-O 3.26Å; R19-L243 PolarHBondContact NE-O 3.46Å
20G88.6Confident75Confident15 Ų1565.6 Ų65.616%0.15532%0.323CS..Hα-helixtrans-62.4-27.7176.400000114H16 V17 I18 M22 G74H16-G20 WeakPolarHBondContact O-CA 2.99Å; H16-G20 PolarHBondContact O-N 2.92Å; V17-G20 CarbonylContact O-C 3.41Å; V17-G20 WeakPolarHBondContact O-CA 3.16Å; V17-G20 PolarHBondContact O-N 2.9Å; I18-G20 VanDerWaalsContact C-N 3.31Å; I18-G20 PolarHBondContact O-N 2.89Å; G20-M22 VanDerWaalsContact C-N 3.29Å; G20-G74 WeakPolarHBondContact O-CA 3.33Å; G20-G74 PolarHBondContact O-N 2.84Å
21M89.8Confident73.5Confident0 Ų074 Ų740%036%0.363CS..Hα-helixtrans-76-18.6173.6-64.3-170.5-51.400113Y9 F10 V17 I18 R19 G23 Q70 L169Y9-M21 HydrophobicContact CE1-CE 3.86Å; F10-M21 HydrophobicContact CE1-CE 3.46Å; F10-M21 VanDerWaalsContact CE1-CE 3.46Å; F10-M21 HydrophobicContact CZ-CE 3.87Å; V17-M21 WeakPolarHBondContact O-CG 3.42Å; V17-M21 PolarHBondContact O-N 3.22Å; I18-M21 PolarHBondContact O-N 3.27Å; R19-M21 PolarHBondContact O-N 2.88Å; M21-G23 VanDerWaalsContact C-N 3.28Å; M21-G23 PolarHBondContact O-N 3.4Å; M21-Q70 PolarHBondContact O-NE2 3.35Å; M21-L169 HydrophobicContact CG-CD2 4.43Å
22M91.4Very high72.1Confident14 Ų1476.9 Ų76.97%0.06938%0.379CS..  trans-7978.4171.4-50.8-54.4130.400109.2I18 R19 G20 V24 V223 L228 L243 G245 H246 W268I18-M22 WeakPolarHBondContact O-CE 3.3Å; R19-M22 WeakPolarHBondContact O-CA 3.44Å; R19-M22 VanDerWaalsContact O-CB 3.3Å; R19-M22 WeakPolarHBondContact O-CB 3.03Å; R19-M22 PolarHBondContact O-N 2.95Å; G20-M22 VanDerWaalsContact C-N 3.29Å; M22-V24 VanDerWaalsContact C-N 3.28Å; M22-V24 PolarHBondContact O-N 3.1Å; M22-V223 HydrophobicContact CE-CG1 4.19Å; M22-V223 HydrophobicContact CG-CB 4.46Å; M22-V223 HydrophobicContact SD-CB 3.56Å; M22-V223 VanDerWaalsContact SD-CB 3.56Å; M22-V223 HydrophobicContact SD-CG1 3.73Å; M22-V223 HydrophobicContact SD-CG2 3.59Å; M22-V223 VanDerWaalsContact SD-CG2 3.59Å; M22-L228 HydrophobicContact CE-CD2 4.42Å; M22-L243 HydrophobicContact CG-CB 4.25Å; M22-G245 CarbonylContact C-O 3.56Å; M22-G245 WeakPolarHBondContact CA-O 3.49Å; M22-G245 WeakPolarHBondContact CB-O 3.36Å; M22-H246 HydrophobicContact SD-CB 3.9Å; M22-W268 HydrophobicContact CE-CH2 3.77Å; M22-W268 HydrophobicContact CE-CZ2 3.51Å; M22-W268 HydrophobicContact SD-CZ2 4.28Å
23G92.7Very high71.3Confident1 Ų171.7 Ų71.71%0.0135%0.354CS..  trans-80.111.5-168.900000116M21 G74 C76 G119 G120 G245M21-G23 VanDerWaalsContact C-N 3.28Å; M21-G23 PolarHBondContact O-N 3.4Å; G23-G74 WeakPolarHBondContact CA-O 3.4Å; G23-C76 VanDerWaalsContact C-SG 3.53Å; G23-C76 WeakPolarHBondContact CA-SG 3.46Å; G23-C76 PolarHBondContact N-SG 3.41Å; G23-G119 CarbonylContact O-C 3.6Å; G23-G119 WeakPolarHBondContact O-CA 3.35Å; G23-G120 PolarHBondContact O-N 3.34Å; G23-G245 PolarHBondContact N-O 2.81Å
24V91.8Very high70.3Confident14 Ų1475.2 Ų75.29%0.08537%0.37CS..BIsolated β-bridgetrans-93.8114.6173.5-177.80000109.7M22 R26 P122 A220 G245 A247M22-V24 VanDerWaalsContact C-N 3.28Å; M22-V24 PolarHBondContact O-N 3.1Å; V24-R26 PolarHBondContact O-N 3.43Å; V24-P122 HydrophobicContact CG1-CG 4.37Å; V24-P122 HydrophobicContact CG2-CG 4.21Å; V24-A220 HydrophobicContact CG1-CB 4.34Å; V24-A220 HydrophobicContact CG2-CB 4.11Å; V24-G245 WeakPolarHBondContact CB-O 3.49Å; V24-G245 PolarHBondContact N-O 3.31Å; V24-A247 HydrophobicContact CG2-CB 3.59Å; V24-A247 VanDerWaalsContact CG2-N 3.35Å
25A83.9Confident69.7Low32 Ų3279.6 Ų79.626%0.26440%0.396SS..  trans-74.3111.9173.300000109.6G120 F121A25-G120 PolarHBondContact N-O 2.72Å; A25-F121 HydrophobicContact CB-CD1 4.08Å; A25-F121 HydrophobicContact CB-CE1 3.51Å; A25-F121 HydrophobicContact CB-CZ 3.83Å
26R64.2Low69.8Low141 Ų14176 Ų7653%0.53238%0.384SS..  trans-63.8140.2174.2-86.9-177.1161.8160.1-6.7110.8V24 Y28 E222V24-R26 PolarHBondContact O-N 3.43Å; R26-Y28 PolarHBondContact O-N 3.05Å; R26-E222 IonicContact CZ-OE1 2.64Å; R26-E222 IonicContact CZ-OE2 2.82Å; R26-E222 IonicContact NE-OE2 2.78Å; R26-E222 PolarHBondContact NE-OE2 3.37Å; R26-E222 IonicContact NH1-OE1 3.56Å; R26-E222 PolarHBondContact NH1-OE1 2.91Å; R26-E222 IonicContact NH1-OE2 3.25Å; R26-E222 PolarHBondContact NH1-OE2 3.45Å; R26-E222 VanDerWaalsContact NH2-CG 3.3Å; R26-E222 IonicContact NH2-OE1 3.55Å; R26-E222 IonicContact NH2-OE2 3.36Å; R26-E222 PolarHBondContact NH2-OE2 2.74Å
27H49.7Very low70.2Confident119 Ų11976 Ų7655%0.55139%0.391SS*.  trans-62.265179.9-75.530.3000113.4G29H27-G29 PolarHBondContact O-N 2.92Å
28Y34.7Very low70.6Confident223 Ų22380 Ų8088%0.87542%0.416SS*.SBendtrans-85.494.7160.5-94.8-82.1000108.9R26R26-Y28 PolarHBondContact O-N 3.05Å
29G33.5Very low71Confident75 Ų7582 Ų8277%0.77342%0.424SS*.SBendtrans91.432.3151.700000118.5H27H27-G29 PolarHBondContact O-N 2.92Å
30I39.2Very low71.3Confident89 Ų8980.2 Ų80.246%0.45643%0.426SS..  trans-132.999.9176.6-57.6-177.4000111.1D32I30-D32 HydrophobicContact CG2-CB 3.58Å; I30-D32 PolarHBondContact O-N 2.75Å
31E40.3Very low71.6Confident198 Ų19880.5 Ų80.593%0.92542%0.423SS*.THydrogen-bonded Turntrans-63.5-6.5164.3-67.6-178.215100112.8
32D42.9Very low71.6Confident152 Ų15284.9 Ų84.981%0.81345%0.451SS*.THydrogen-bonded Turntrans-95.42.7-174-75.6-38.7000116I30 E34I30-D32 HydrophobicContact CG2-CB 3.58Å; I30-D32 PolarHBondContact O-N 2.75Å; D32-E34 PolarHBondContact O-N 3.31Å
33H54.6Low71.6Confident43 Ų4393 Ų9320%0.19949%0.489CS..SBendtrans-80.8125.4173.6-74.4-65.5000111T35 F121H33-T35 PolarHBondContact O-N 2.94Å; H33-F121 AromaticContact CE1-CD2 3.41Å; H33-F121 VanDerWaalsContact CE1-CD2 3.41Å; H33-F121 WeakPolarHBondContact CE1-CD2 3.38Å; H33-F121 AromaticContact CE1-CE2 3.38Å; H33-F121 WeakPolarHBondContact CE1-CE2 3.37Å; H33-F121 AromaticContact CE1-CG 3.92Å; H33-F121 AromaticContact CE1-CZ 3.85Å; H33-F121 AromaticContact NE2-CD2 3.85Å; H33-F121 AromaticContact NE2-CE1 3.79Å; H33-F121 AromaticContact NE2-CE2 3.47Å; H33-F121 WeakPolarHBondContact NE2-CE2 3.47Å; H33-F121 AromaticContact NE2-CZ 3.43Å; H33-F121 WeakPolarHBondContact NE2-CZ 3.24Å
34E58.2Low71.5Confident86 Ų8696.1 Ų96.140%0.40251%0.505SS..  trans-43.8110-174.2-168.6164.2-156.700111.9D32 L36 S127 K131D32-E34 PolarHBondContact O-N 3.31Å; E34-L36 VanDerWaalsContact C-N 3.34Å; E34-L36 PolarHBondContact O-N 3.22Å; E34-S127 WeakPolarHBondContact OE2-CB 3.49Å; E34-S127 PolarHBondContact OE2-OG 3.4Å; E34-K131 WeakPolarHBondContact OE1-CE 3.35Å; E34-K131 IonicContact OE1-NZ 2.6Å; E34-K131 PolarHBondContact OE1-NZ 3.22Å; E34-K131 IonicContact OE2-NZ 2.77Å; E34-K131 PolarHBondContact OE2-NZ 2.95Å
35T71.7Confident71.4Confident134 Ų134100.6 Ų100.682%0.82254%0.544SS*.  trans-70.290.6-177.942.80000109.6H33 T37H33-T35 PolarHBondContact O-N 2.94Å; T35-T37 PolarHBondContact O-N 2.67Å
36L89.1Confident71.8Confident28 Ų28101.9 Ų101.915%0.14755%0.545CS..PPolyproline II helixtrans-57.2138.1171.5-67-174.8000109.4E34 T38 P123 S127 S197 K199 I294E34-L36 VanDerWaalsContact C-N 3.34Å; E34-L36 PolarHBondContact O-N 3.22Å; L36-T38 PolarHBondContact O-N 3.15Å; L36-P123 HydrophobicContact CD1-CB 3.86Å; L36-P123 HydrophobicContact CG-CB 4.24Å; L36-S127 WeakPolarHBondContact CD2-OG 3.43Å; L36-S197 WeakPolarHBondContact CD2-OG 3.46Å; L36-K199 HydrophobicContact CB-CB 4.31Å; L36-I294 HydrophobicContact CD1-CG2 3.63Å
37T93.9Very high73.2Confident107 Ų107101.6 Ų101.666%0.65656%0.559SS**PPolyproline II helixtrans-64.6136.1174.651.20000109.8T35 Y198 K199T35-T37 PolarHBondContact O-N 2.67Å; T37-Y198 WeakPolarHBondContact O-CA 3.39Å; T37-Y198 VanDerWaalsContact O-CB 3.3Å; T37-Y198 WeakPolarHBondContact O-CB 3.47Å; T37-K199 PolarHBondContact O-N 2.78Å
38T95.7Very high75.4Confident86 Ų8697.8 Ų97.853%0.52854%0.542SS..EExtended strand (participates in β ladder)trans-82123.3175.2-550000109.6L36 K199L36-T38 PolarHBondContact O-N 3.15Å; T38-K199 CarbonylContact C-O 3.59Å; T38-K199 WeakPolarHBondContact CA-O 3.31Å
39K95.8Very high78.4Confident50 Ų5090 Ų9022%0.21752%0.519CS..EExtended strand (participates in β ladder)trans-94.1132.9175.8-167.4177.4-177.8-168.10109.9Y41 Y198 K199 S201 E210K39-Y41 WeakPolarHBondContact CE-OH 3.16Å; K39-Y41 HydrophobicContact CG-CE2 4.48Å; K39-Y41 PolarHBondContact NZ-OH 3.04Å; K39-Y198 HydrophobicContact CB-CD2 3.93Å; K39-Y198 HydrophobicContact CB-CG 4.4Å; K39-Y198 HydrophobicContact CD-CD2 3.67Å; K39-Y198 HydrophobicContact CD-CE1 4.42Å; K39-Y198 HydrophobicContact CD-CE2 3.48Å; K39-Y198 VanDerWaalsContact CD-CE2 3.48Å; K39-Y198 HydrophobicContact CD-CG 4.22Å; K39-Y198 HydrophobicContact CG-CD2 4.49Å; K39-Y198 PolarHBondContact NZ-OH 3.43Å; K39-K199 WeakPolarHBondContact CB-O 3.17Å; K39-K199 PolarHBondContact N-O 2.91Å; K39-S201 PolarHBondContact O-N 2.99Å; K39-E210 IonicContact NZ-OE2 3Å; K39-E210 PolarHBondContact NZ-OE2 3.31Å
40T96.2Very high81.5Confident77 Ų7793.7 Ų93.747%0.47252%0.516SS..  trans-128.9163.3175.8600000109.7P42 D206T40-P42 WeakPolarHBondContact OG1-CD 3.41Å; T40-D206 VanDerWaalsContact CA-OD2 3.3Å; T40-D206 WeakPolarHBondContact CA-OD2 3.35Å; T40-D206 WeakPolarHBondContact CB-OD2 3.27Å
41Y94.9Very high84.3Confident22 Ų2293 Ų939%0.08652%0.519CS..  trans-12653.4177.8-64.7-86.9000113.9K39 H43 L44 D206 K209 E210 I213K39-Y41 WeakPolarHBondContact CE-OH 3.16Å; K39-Y41 HydrophobicContact CG-CE2 4.48Å; K39-Y41 PolarHBondContact NZ-OH 3.04Å; Y41-H43 VanDerWaalsContact C-N 3.3Å; Y41-H43 PolarHBondContact O-N 2.94Å; Y41-L44 HydrophobicContact CD1-CB 4.33Å; Y41-L44 HydrophobicContact CD1-CD2 3.7Å; Y41-L44 HydrophobicContact CE1-CD2 4.22Å; Y41-L44 HydrophobicContact CG-CD2 4.49Å; Y41-L44 PolarHBondContact O-N 3.17Å; Y41-D206 WeakPolarHBondContact CA-OD1 3.43Å; Y41-D206 VanDerWaalsContact CB-OD1 3.32Å; Y41-D206 WeakPolarHBondContact CB-OD1 3.37Å; Y41-D206 HydrophobicContact CD2-CB 4.13Å; Y41-D206 PolarHBondContact N-OD1 3.42Å; Y41-K209 HydrophobicContact CD1-CB 4.46Å; Y41-K209 HydrophobicContact CD2-CB 3.84Å; Y41-K209 HydrophobicContact CD2-CD 4.3Å; Y41-K209 HydrophobicContact CE2-CB 4.16Å; Y41-K209 HydrophobicContact CG-CB 3.99Å; Y41-K209 HydrophobicContact CG-CD 3.91Å; Y41-K209 PolarHBondContact O-NZ 3.25Å; Y41-E210 HydrophobicContact CE2-CB 3.93Å; Y41-E210 PolarHBondContact OH-OE2 2.79Å; Y41-I213 HydrophobicContact CD1-CD1 4.11Å; Y41-I213 HydrophobicContact CE1-CD1 3.45Å; Y41-I213 VanDerWaalsContact CE1-CD1 3.45Å
42P90.4Very high87.1Confident92 Ų9284.6 Ų84.660%0.59748%0.479SS*.THydrogen-bonded Turntrans-68-27.3-17327.7-36.2000113.6T40T40-P42 WeakPolarHBondContact OG1-CD 3.41Å
43H89.9Confident89.7Confident183 Ų18378.4 Ų78.485%0.84745%0.446SS*.THydrogen-bonded Turntrans-1094.8-174.8-55.1-51.6000113.7Y41 A45Y41-H43 VanDerWaalsContact C-N 3.3Å; Y41-H43 PolarHBondContact O-N 2.94Å; H43-A45 PolarHBondContact O-N 2.79Å
44L90.3Very high91.8Very high67 Ų6776.3 Ų76.335%0.35144%0.437SS..  trans-91.398.8177-175.762.8000109.3Y41 M46 I213Y41-L44 HydrophobicContact CD1-CB 4.33Å; Y41-L44 HydrophobicContact CD1-CD2 3.7Å; Y41-L44 HydrophobicContact CE1-CD2 4.22Å; Y41-L44 HydrophobicContact CG-CD2 4.49Å; Y41-L44 PolarHBondContact O-N 3.17Å; L44-M46 HydrophobicContact CD2-CE 3.85Å; L44-M46 HydrophobicContact CG-CB 4.17Å; L44-M46 HydrophobicContact CG-CE 4.44Å; L44-M46 PolarHBondContact O-N 3.4Å; L44-M46 VanDerWaalsContact O-N 3.1Å; L44-I213 HydrophobicContact CD2-CD1 3.45Å; L44-I213 VanDerWaalsContact CD2-CD1 3.45Å
45A91.1Very high93.8Very high109 Ų10976.3 Ų76.390%0.90143%0.433SS*.  trans-70.8100.6168.100000108.9H43H43-A45 PolarHBondContact O-N 2.79Å
46M91.2Very high95Very high58 Ų5877.3 Ų77.329%0.28643%0.428SS..  trans-135.2125179.2176.3179.8-7600108.3L44 I48 K209 I212 I213L44-M46 HydrophobicContact CD2-CE 3.85Å; L44-M46 HydrophobicContact CG-CB 4.17Å; L44-M46 HydrophobicContact CG-CE 4.44Å; L44-M46 PolarHBondContact O-N 3.4Å; L44-M46 VanDerWaalsContact O-N 3.1Å; M46-I48 HydrophobicContact CB-CD1 4.47Å; M46-I48 HydrophobicContact CG-CD1 3.97Å; M46-I48 PolarHBondContact O-N 3.22Å; M46-I48 HydrophobicContact SD-CD1 4.04Å; M46-K209 HydrophobicContact SD-CB 4.46Å; M46-K209 HydrophobicContact SD-CG 4.05Å; M46-I212 HydrophobicContact CE-CG2 4.11Å; M46-I212 HydrophobicContact SD-CB 4.21Å; M46-I212 HydrophobicContact SD-CD1 3.81Å; M46-I212 HydrophobicContact SD-CG2 3.95Å; M46-I213 HydrophobicContact CE-CD1 4.1Å; M46-I213 HydrophobicContact CE-CG1 3.81Å
47T93.3Very high95.5Very high135 Ų13581 Ų8183%0.82845%0.445SS*.PPolyproline II helixtrans-72.5120170.2-54.80000108.5
48I96.6Very high95.7Very high40 Ų4077.8 Ų77.821%0.20542%0.421CS..PPolyproline II helixtrans-88.8121.7178.1-52.2-58000108.3M46 L205 Q208 K209 I212 W253M46-I48 HydrophobicContact CB-CD1 4.47Å; M46-I48 HydrophobicContact CG-CD1 3.97Å; M46-I48 PolarHBondContact O-N 3.22Å; M46-I48 HydrophobicContact SD-CD1 4.04Å; I48-L205 HydrophobicContact CG1-CD2 4.32Å; I48-Q208 HydrophobicContact CD1-CB 4.46Å; I48-Q208 HydrophobicContact CG2-CB 3.92Å; I48-Q208 HydrophobicContact CG2-CG 4.2Å; I48-K209 HydrophobicContact CD1-CG 3.65Å; I48-I212 HydrophobicContact CD1-CD1 3.93Å; I48-W253 HydrophobicContact CG2-CH2 4.28Å; I48-W253 HydrophobicContact CG2-CZ2 3.54Å
49P97.5Very high95.8Very high59 Ų5978.2 Ų78.238%0.38343%0.425SS..PPolyproline II helixtrans-67.6156.8176.430.2-36.4000111.5S51 F52 W253P49-S51 WeakPolarHBondContact CB-O 3.41Å; P49-S51 WeakPolarHBondContact CG-O 3.29Å; P49-S51 PolarHBondContact O-N 3.24Å; P49-F52 HydrophobicContact CG-CB 4.43Å; P49-W253 HydrophobicContact CG-CZ2 4Å; P49-W253 PolarHBondContact O-NE1 3.33Å
50E97.9Very high95.8Very high152 Ų15280.9 Ų80.971%0.7144%0.442SS*.SBendtrans-60.8-35.9177.3-175.6174.379.500112.2W253 V255E50-W253 PolarHBondContact O-NE1 3.2Å; E50-V255 HydrophobicContact CG-CG2 3.85Å
51S98.6Very high95.9Very high75 Ų7577.5 Ų77.552%0.52442%0.421SS..  trans-131.1149.1175.860.30000111.8P49 W253P49-S51 WeakPolarHBondContact CB-O 3.41Å; P49-S51 WeakPolarHBondContact CG-O 3.29Å; P49-S51 PolarHBondContact O-N 3.24Å; S51-W253 WeakPolarHBondContact CA-O 3.33Å
52F98.8Very high96.1Very high21 Ų2180.2 Ų80.29%0.09244%0.441CS..EExtended strand (participates in β ladder)trans-148.8135.9174177.1-87.1000109.7P49 A54 Q57 W58 L211 I212 G252 W253P49-F52 HydrophobicContact CG-CB 4.43Å; F52-A54 HydrophobicContact CE1-CB 4.09Å; F52-Q57 HydrophobicContact CE2-CB 3.9Å; F52-Q57 HydrophobicContact CE2-CG 3.87Å; F52-Q57 HydrophobicContact CZ-CB 3.85Å; F52-Q57 HydrophobicContact CZ-CG 3.93Å; F52-W58 HydrophobicContact CE1-CZ3 4.17Å; F52-W58 AromaticContact CZ-CH2 3.76Å; F52-W58 HydrophobicContact CZ-CH2 3.76Å; F52-W58 AromaticContact CZ-CZ3 3.63Å; F52-W58 HydrophobicContact CZ-CZ3 3.63Å; F52-L211 HydrophobicContact CD1-CD2 3.48Å; F52-L211 VanDerWaalsContact CD1-CD2 3.48Å; F52-L211 HydrophobicContact CD1-CG 4.45Å; F52-L211 HydrophobicContact CE1-CD2 3.52Å; F52-L211 HydrophobicContact CE1-CG 4.05Å; F52-I212 HydrophobicContact CD2-CG1 3.92Å; F52-I212 HydrophobicContact CE2-CB 4.47Å; F52-I212 HydrophobicContact CE2-CG1 3.87Å; F52-I212 HydrophobicContact CG-CG1 4.5Å; F52-I212 HydrophobicContact CZ-CG1 4.41Å; F52-G252 CarbonylContact O-C 3.45Å; F52-G252 WeakPolarHBondContact O-CA 2.93Å; F52-W253 HydrophobicContact CB-CD2 3.7Å; F52-W253 VanDerWaalsContact CB-CE2 3.49Å; F52-W253 HydrophobicContact CB-CE3 3.75Å; F52-W253 HydrophobicContact CB-CH2 3.54Å; F52-W253 HydrophobicContact CB-CZ2 3.41Å; F52-W253 VanDerWaalsContact CB-CZ2 3.41Å; F52-W253 HydrophobicContact CB-CZ3 3.68Å; F52-W253 HydrophobicContact CD1-CE3 4.14Å; F52-W253 HydrophobicContact CD1-CH2 4.18Å; F52-W253 AromaticContact CD1-CZ3 3.76Å; F52-W253 HydrophobicContact CD1-CZ3 3.76Å; F52-W253 HydrophobicContact CD2-CH2 4.34Å; F52-W253 HydrophobicContact CG-CE3 4.26Å; F52-W253 AromaticContact CG-CH2 3.78Å; F52-W253 HydrophobicContact CG-CH2 3.78Å; F52-W253 HydrophobicContact CG-CZ2 4.14Å; F52-W253 AromaticContact CG-CZ3 3.82Å; F52-W253 HydrophobicContact CG-CZ3 3.82Å; F52-W253 PolarHBondContact N-O 2.97Å; F52-W253 PolarHBondContact O-N 3.29Å
53D98.8Very high96.4Very high22 Ų2276.1 Ų76.112%0.11842%0.415CS..EExtended strand (participates in β ladder)trans-131.1117.7172.9-170.1-33.6000109.3R55 E56 Q57D53-R55 PolarHBondContact O-N 3.2Å; D53-R55 VanDerWaalsContact O-N 3.12Å; D53-R55 WeakPolarHBondContact OD1-CB 3.39Å; D53-R55 VanDerWaalsContact OD1-CG 3.28Å; D53-R55 WeakPolarHBondContact OD1-CG 3.45Å; D53-R55 IonicContact OD1-CZ 2.68Å; D53-R55 PolarHBondContact OD1-N 3.43Å; D53-R55 IonicContact OD1-NE 3.91Å; D53-R55 PolarHBondContact OD1-NE 2.98Å; D53-R55 IonicContact OD1-NH2 2.98Å; D53-R55 IonicContact OD2-CZ 2.64Å; D53-R55 VanDerWaalsContact OD2-CZ 3.25Å; D53-R55 IonicContact OD2-NE 3.25Å; D53-R55 PolarHBondContact OD2-NE 2.82Å; D53-R55 IonicContact OD2-NH2 3.05Å; D53-R55 PolarHBondContact OD2-NH2 2.85Å; D53-E56 HydrophobicContact CB-CB 4.35Å; D53-E56 HydrophobicContact CB-CG 4.02Å; D53-E56 PolarHBondContact O-N 3.37Å; D53-Q57 PolarHBondContact O-N 3.27Å
54A98.7Very high96.8Very high0 Ų067.4 Ų67.40%038%0.375CS..Hα-helixtrans-58.7-26.1179.900000112.9F52 E56 Q57 W58 I64 P216 L251F52-A54 HydrophobicContact CE1-CB 4.09Å; A54-E56 VanDerWaalsContact C-N 3.34Å; A54-Q57 PolarHBondContact O-N 3.07Å; A54-W58 HydrophobicContact CB-CE3 3.86Å; A54-W58 HydrophobicContact CB-CZ3 3.75Å; A54-W58 PolarHBondContact O-N 3Å; A54-I64 HydrophobicContact CB-CG2 3.69Å; A54-P216 HydrophobicContact CB-CG 3.86Å; A54-L251 HydrophobicContact CB-CB 4.26Å; A54-L251 WeakPolarHBondContact CB-O 3.41Å; A54-L251 PolarHBondContact N-O 3.13Å
55R98.7Very high97.2Very high85 Ų8566.1 Ų66.132%0.32138%0.377SS..Hα-helixtrans-68.6-36.2177.9-57.4171.9-66.5-176.86111.2D53 P59 I64 L251 F277D53-R55 PolarHBondContact O-N 3.2Å; D53-R55 VanDerWaalsContact O-N 3.12Å; D53-R55 WeakPolarHBondContact OD1-CB 3.39Å; D53-R55 VanDerWaalsContact OD1-CG 3.28Å; D53-R55 WeakPolarHBondContact OD1-CG 3.45Å; D53-R55 IonicContact OD1-CZ 2.68Å; D53-R55 PolarHBondContact OD1-N 3.43Å; D53-R55 IonicContact OD1-NE 3.91Å; D53-R55 PolarHBondContact OD1-NE 2.98Å; D53-R55 IonicContact OD1-NH2 2.98Å; D53-R55 IonicContact OD2-CZ 2.64Å; D53-R55 VanDerWaalsContact OD2-CZ 3.25Å; D53-R55 IonicContact OD2-NE 3.25Å; D53-R55 PolarHBondContact OD2-NE 2.82Å; D53-R55 IonicContact OD2-NH2 3.05Å; D53-R55 PolarHBondContact OD2-NH2 2.85Å; R55-P59 WeakPolarHBondContact O-CA 3.21Å; R55-I64 HydrophobicContact CB-CG2 4.45Å; R55-I64 HydrophobicContact CG-CB 4.25Å; R55-I64 HydrophobicContact CG-CG2 3.61Å; R55-L251 HydrophobicContact CG-CD1 4.23Å; R55-F277 VanDerWaalsContact NH1-CZ 3.26Å
56E98.4Very high97.5Very high155 Ų15562.4 Ų62.472%0.72434%0.341SS*.Hα-helixtrans-77.5-37176.2-62.1-177176.300111.6D53 A54 P59D53-E56 HydrophobicContact CB-CB 4.35Å; D53-E56 HydrophobicContact CB-CG 4.02Å; D53-E56 PolarHBondContact O-N 3.37Å; A54-E56 VanDerWaalsContact C-N 3.34Å; E56-P59 WeakPolarHBondContact O-CD 3.23Å
57Q98.1Very high97.8Very high105 Ų10560.4 Ų60.449%0.49133%0.332SS..Hα-helixtrans-68.5-37179-177.761.627.300112.5F52 D53 A54F52-Q57 HydrophobicContact CE2-CB 3.9Å; F52-Q57 HydrophobicContact CE2-CG 3.87Å; F52-Q57 HydrophobicContact CZ-CB 3.85Å; F52-Q57 HydrophobicContact CZ-CG 3.93Å; D53-Q57 PolarHBondContact O-N 3.27Å; A54-Q57 PolarHBondContact O-N 3.07Å
58W98.5Very high98Very high40 Ų4054.4 Ų54.415%0.15229%0.294CS..  trans-127.767.6-179.4-59.9-76.4000112.2F52 A54 N60 C61 I64 I91 L211 I212F52-W58 HydrophobicContact CE1-CZ3 4.17Å; F52-W58 AromaticContact CZ-CH2 3.76Å; F52-W58 HydrophobicContact CZ-CH2 3.76Å; F52-W58 AromaticContact CZ-CZ3 3.63Å; F52-W58 HydrophobicContact CZ-CZ3 3.63Å; A54-W58 HydrophobicContact CB-CE3 3.86Å; A54-W58 HydrophobicContact CB-CZ3 3.75Å; A54-W58 PolarHBondContact O-N 3Å; W58-N60 PolarHBondContact O-N 3.13Å; W58-C61 HydrophobicContact CB-CB 4.21Å; W58-C61 WeakPolarHBondContact O-CB 3.21Å; W58-C61 PolarHBondContact O-N 3.09Å; W58-I64 HydrophobicContact CB-CD1 3.67Å; W58-I64 HydrophobicContact CE3-CD1 4.13Å; W58-I64 HydrophobicContact CG-CD1 4.44Å; W58-I91 HydrophobicContact CB-CG1 4.24Å; W58-I91 HydrophobicContact CD2-CD1 3.67Å; W58-I91 HydrophobicContact CD2-CG1 3.76Å; W58-I91 HydrophobicContact CD2-CG2 4.35Å; W58-I91 HydrophobicContact CE3-CD1 3.62Å; W58-I91 HydrophobicContact CE3-CG1 4.22Å; W58-I91 HydrophobicContact CG-CD1 4.18Å; W58-I91 HydrophobicContact CG-CG1 3.76Å; W58-I91 HydrophobicContact CH2-CD1 4.39Å; W58-I91 HydrophobicContact CZ2-CD1 4.41Å; W58-I91 HydrophobicContact CZ2-CG2 4.14Å; W58-I91 HydrophobicContact CZ3-CD1 4Å; W58-L211 VanDerWaalsContact CH2-O 3.3Å; W58-L211 WeakPolarHBondContact CH2-O 3.2Å; W58-I212 WeakPolarHBondContact CH2-O 3.5Å; W58-I212 WeakPolarHBondContact CZ2-O 3.47Å
59P97.5Very high98Very high96 Ų9653 Ų5362%0.62329%0.287SS*.THydrogen-bonded Turntrans-65.8-19.5-174.728-35.8000113R55 E56 C61R55-P59 WeakPolarHBondContact O-CA 3.21Å; E56-P59 WeakPolarHBondContact O-CD 3.23Å; P59-C61 PolarHBondContact O-N 2.67Å
60N97.2Very high98Very high106 Ų10650.2 Ų50.257%0.56727%0.268SS*.THydrogen-bonded Turntrans-76.4-5.3175.7-67.6-39.5000113.6W58 P62 K98W58-N60 PolarHBondContact O-N 3.13Å; N60-P62 WeakPolarHBondContact O-CD 3.46Å; N60-K98 WeakPolarHBondContact O-CE 3.32Å; N60-K98 PolarHBondContact O-NZ 2.62Å
61C98.5Very high97.9Very high6 Ų643.1 Ų43.14%0.04124%0.235CC..  trans-110.382.6-179.1-70.50000111.6W58 P59 T63 I64 C90W58-C61 HydrophobicContact CB-CB 4.21Å; W58-C61 WeakPolarHBondContact O-CB 3.21Å; W58-C61 PolarHBondContact O-N 3.09Å; P59-C61 PolarHBondContact O-N 2.67Å; C61-T63 PolarHBondContact O-N 2.74Å; C61-T63 VanDerWaalsContact O-N 3.15Å; C61-I64 HydrophobicContact CB-CD1 3.65Å; C61-I64 HydrophobicContact CB-CG1 3.98Å; C61-I64 WeakPolarHBondContact O-CG1 3.19Å; C61-I64 PolarHBondContact O-N 2.98Å; C61-I64 VanDerWaalsContact O-N 3.13Å; C61-C90 WeakPolarHBondContact CA-SG 3.13Å; C61-C90 HydrophobicContact CB-CB 3.78Å; C61-C90 WeakPolarHBondContact CB-SG 3.21Å; C61-C90 WeakPolarHBondContact SG-CB 2.98Å; C61-C90 CovalentContact SG-SG 2.04Å; C61-C90 PolarHBondContact SG-SG 3.43Å
62P97.5Very high97.6Very high78 Ų7839.7 Ų39.751%0.50621%0.211SC..G310 helixtrans-65.5-20.2-173.927.5-36.2000113.8N60 I64 G65 E66 K98N60-P62 WeakPolarHBondContact O-CD 3.46Å; P62-I64 PolarHBondContact O-N 3.23Å; P62-G65 PolarHBondContact O-N 3.15Å; P62-E66 PolarHBondContact O-N 3Å; P62-K98 HydrophobicContact CG-CD 4.14Å
63T97.5Very high97.4Very high7 Ų738.7 Ų38.74%0.04321%0.207CC..G310 helixtrans-60.1-26.1175.758.70000112.1C61 G65 E66 D87 R249C61-T63 PolarHBondContact O-N 2.74Å; C61-T63 VanDerWaalsContact O-N 3.15Å; T63-G65 VanDerWaalsContact C-N 3.33Å; T63-G65 PolarHBondContact O-N 2.91Å; T63-E66 PolarHBondContact O-N 3.34Å; T63-D87 WeakPolarHBondContact CB-OD1 3.22Å; T63-D87 PolarHBondContact OG1-OD1 2.04Å; T63-R249 PolarHBondContact O-NH1 2.8Å
64I98.6Very high97.3Very high0 Ų037.7 Ų37.70%020%0.201CC..G310 helixtrans-65.1-41.5-179.1-56.2174000110.3A54 R55 W58 C61 P62 E66 D87 I91 P216 R249A54-I64 HydrophobicContact CB-CG2 3.69Å; R55-I64 HydrophobicContact CB-CG2 4.45Å; R55-I64 HydrophobicContact CG-CB 4.25Å; R55-I64 HydrophobicContact CG-CG2 3.61Å; W58-I64 HydrophobicContact CB-CD1 3.67Å; W58-I64 HydrophobicContact CE3-CD1 4.13Å; W58-I64 HydrophobicContact CG-CD1 4.44Å; C61-I64 HydrophobicContact CB-CD1 3.65Å; C61-I64 HydrophobicContact CB-CG1 3.98Å; C61-I64 WeakPolarHBondContact O-CG1 3.19Å; C61-I64 PolarHBondContact O-N 2.98Å; C61-I64 VanDerWaalsContact O-N 3.13Å; P62-I64 PolarHBondContact O-N 3.23Å; I64-E66 VanDerWaalsContact C-N 3.35Å; I64-D87 WeakPolarHBondContact CA-OD1 3.22Å; I64-D87 HydrophobicContact CG1-CB 3.97Å; I64-D87 PolarHBondContact N-OD1 3.18Å; I64-D87 VanDerWaalsContact N-OD1 3.09Å; I64-I91 HydrophobicContact CD1-CD1 4.08Å; I64-I91 HydrophobicContact CD1-CG1 4.31Å; I64-P216 HydrophobicContact CG2-CG 4.02Å; I64-R249 VanDerWaalsContact CA-NH1 3.31Å; I64-R249 PolarHBondContact O-NH1 3.32Å; I64-R249 PolarHBondContact O-NH2 2.98Å; I64-R249 VanDerWaalsContact O-NH2 3.13Å
65G97.9Very high97.3Very high39 Ų3937.7 Ų37.740%0.40220%0.201SC..G310 helixtrans-84.4-3.8178.500000114.7P62 T63P62-G65 PolarHBondContact O-N 3.15Å; T63-G65 VanDerWaalsContact C-N 3.33Å; T63-G65 PolarHBondContact O-N 2.91Å
66E97.8Very high97.3Very high32 Ų3233.6 Ų33.615%0.1519%0.186CC..  trans-81.1132.7-179.1-176.1168.2-166.600111.1P62 T63 I64 H100 K142 R249P62-E66 PolarHBondContact O-N 3Å; T63-E66 PolarHBondContact O-N 3.34Å; I64-E66 VanDerWaalsContact C-N 3.35Å; E66-H100 IonicContact OE1-CD2 3.62Å; E66-H100 IonicContact OE1-NE2 3.84Å; E66-H100 PolarHBondContact OE1-NE2 3.07Å; E66-H100 IonicContact OE2-CD2 3.22Å; E66-H100 PolarHBondContact OE2-CD2 3.36Å; E66-H100 VanDerWaalsContact OE2-CD2 3.26Å; E66-H100 IonicContact OE2-CE1 3.22Å; E66-H100 IonicContact OE2-NE2 2.72Å; E66-H100 PolarHBondContact OE2-NE2 3.09Å; E66-K142 IonicContact OE1-NZ 3.99Å; E66-K142 PolarHBondContact OE1-NZ 3.04Å; E66-R249 PolarHBondContact O-NH2 2.91Å
67I98Very high97.2Very high16 Ų1626.2 Ų26.28%0.08215%0.152CC..  trans-103.1136.7169.8-61.7-60.3000108.5A265 N269 T270 F277I67-A265 HydrophobicContact CD1-CB 3.5Å; I67-A265 VanDerWaalsContact CD1-CB 3.5Å; I67-N269 VanDerWaalsContact CG2-C 3.44Å; I67-N269 WeakPolarHBondContact CG2-O 2.95Å; I67-T270 HydrophobicContact CB-CG2 3.79Å; I67-T270 HydrophobicContact CG1-CG2 4.23Å; I67-T270 HydrophobicContact CG2-CG2 4.25Å; I67-F277 HydrophobicContact CD1-CD1 4.05Å; I67-F277 HydrophobicContact CD1-CD2 4.2Å; I67-F277 HydrophobicContact CD1-CE1 3.72Å; I67-F277 HydrophobicContact CD1-CE2 3.86Å; I67-F277 HydrophobicContact CD1-CG 4.28Å; I67-F277 HydrophobicContact CD1-CZ 3.6Å; I67-F277 HydrophobicContact CG1-CD2 4.35Å; I67-F277 HydrophobicContact CG1-CE1 4.49Å; I67-F277 HydrophobicContact CG1-CE2 3.8Å; I67-F277 HydrophobicContact CG1-CZ 3.88Å
68R97.5Very high97.2Very high9 Ų921.2 Ų21.23%0.03413%0.128CC..  trans-109.7173175.9-52.6-167.9-179.4-175.77.3111.1F79 E83 S86 I101 N139 S267 N269R68-F79 HydrophobicContact CB-CD1 3.84Å; R68-F79 HydrophobicContact CB-CE1 3.69Å; R68-E83 WeakPolarHBondContact CB-OE1 3.38Å; R68-E83 HydrophobicContact CG-CG 4.24Å; R68-S86 PolarHBondContact NH2-OG 3.2Å; R68-I101 PolarHBondContact NH1-O 3.32Å; R68-N139 WeakPolarHBondContact CD-OD1 3.35Å; R68-N139 VanDerWaalsContact CG-OD1 3.32Å; R68-N139 WeakPolarHBondContact CG-OD1 3.34Å; R68-S267 CarbonylContact O-C 3.11Å; R68-S267 VanDerWaalsContact O-C 3.23Å; R68-S267 WeakPolarHBondContact O-CA 3.15Å; R68-N269 PolarHBondContact O-N 3.34Å
69D96.9Very high97.2Very high11 Ų1119.4 Ų19.46%0.05912%0.121CC..BIsolated β-bridgetrans-127.3120.7177-163.7-25.1000109.3S71 F79 P153 C154 H156 S267 N269D69-S71 VanDerWaalsContact C-N 3.25Å; D69-S71 WeakPolarHBondContact OD1-CA 3.34Å; D69-S71 PolarHBondContact OD1-N 3Å; D69-F79 WeakPolarHBondContact O-CE1 3.37Å; D69-F79 WeakPolarHBondContact O-CZ 3.16Å; D69-P153 HydrophobicContact CB-CB 3.84Å; D69-P153 VanDerWaalsContact OD2-CA 3.23Å; D69-P153 WeakPolarHBondContact OD2-CA 3.1Å; D69-P153 WeakPolarHBondContact OD2-CB 3.39Å; D69-C154 PolarHBondContact OD2-N 2.8Å; D69-C154 VanDerWaalsContact OD2-N 3.09Å; D69-H156 IonicContact OD1-CD2 3.99Å; D69-H156 IonicContact OD1-NE2 3.16Å; D69-H156 PolarHBondContact OD1-NE2 3.39Å; D69-H156 IonicContact OD2-NE2 3.96Å; D69-S267 CarbonylContact C-O 3.6Å; D69-S267 WeakPolarHBondContact CA-O 3.47Å; D69-N269 HydrophobicContact CB-CB 4Å; D69-N269 WeakPolarHBondContact OD2-CB 3.14Å; D69-N269 PolarHBondContact OD2-ND2 3.49Å
70Q96.7Very high97.3Very high0 Ų014.9 Ų14.90%09%0.092CC..  trans-81.8-3.1175.877.4-17964.200113.1M21 C73 C76 F79 Y149 S267M21-Q70 PolarHBondContact O-NE2 3.35Å; Q70-C73 PolarHBondContact NE2-O 3.45Å; Q70-C73 WeakPolarHBondContact O-CB 3.14Å; Q70-C73 PolarHBondContact O-N 3.39Å; Q70-C76 VanDerWaalsContact OE1-CB 3.26Å; Q70-F79 VanDerWaalsContact CA-CZ 3.46Å; Q70-F79 HydrophobicContact CB-CD1 4.29Å; Q70-F79 HydrophobicContact CB-CD2 3.86Å; Q70-F79 HydrophobicContact CB-CE1 4.17Å; Q70-F79 HydrophobicContact CB-CE2 3.73Å; Q70-F79 HydrophobicContact CB-CG 4.15Å; Q70-F79 HydrophobicContact CB-CZ 3.91Å; Q70-Y149 PolarHBondContact O-OH 2.65Å; Q70-S267 PolarHBondContact N-O 2.78Å; Q70-S267 PolarHBondContact OE1-OG 3.02Å
71S94.9Very high97.3Very high2 Ų29.8 Ų9.81%0.0147%0.065CC..THydrogen-bonded Turntrans56.8-162.8-172.8-160.20000111.9D69 C73 P152D69-S71 VanDerWaalsContact C-N 3.25Å; D69-S71 WeakPolarHBondContact OD1-CA 3.34Å; D69-S71 PolarHBondContact OD1-N 3Å; S71-C73 PolarHBondContact O-N 2.89Å; S71-P152 WeakPolarHBondContact CB-O 3.4Å; S71-P152 PolarHBondContact OG-O 2.85Å
72N92.6Very high97.4Very high4 Ų49.5 Ų9.52%0.0216%0.063CC..THydrogen-bonded Turntrans-68.341.6163.658.1-37.1000113.7C165 S166 D168 L169 E170N72-C165 HydrophobicContact CB-CB 4.33Å; N72-S166 WeakPolarHBondContact ND2-CB 3.34Å; N72-D168 PolarHBondContact ND2-O 2.95Å; N72-L169 CarbonylContact O-C 3.59Å; N72-L169 VanDerWaalsContact O-CA 3.25Å; N72-L169 WeakPolarHBondContact O-CA 2.95Å; N72-L169 WeakPolarHBondContact O-CD2 3.13Å; N72-E170 WeakPolarHBondContact ND2-CG 3.43Å; N72-E170 PolarHBondContact ND2-OE1 3.36Å; N72-E170 PolarHBondContact O-N 3.5Å; N72-E170 WeakPolarHBondContact OD1-CG 3.36Å; N72-E170 PolarHBondContact OD1-OE1 2.89Å
73C96Very high97.4Very high0 Ų06 Ų60%04%0.04CC..SBendtrans-124.7129174169.10000109.3Q70 S71 S75 C117 F151 E170Q70-C73 PolarHBondContact NE2-O 3.45Å; Q70-C73 WeakPolarHBondContact O-CB 3.14Å; Q70-C73 PolarHBondContact O-N 3.39Å; S71-C73 PolarHBondContact O-N 2.89Å; C73-S75 PolarHBondContact O-N 3.16Å; C73-S75 PolarHBondContact O-OG 2.79Å; C73-S75 WeakPolarHBondContact SG-CB 3.38Å; C73-S75 PolarHBondContact SG-OG 3.02Å; C73-C117 HydrophobicContact CB-CB 3.93Å; C73-C117 WeakPolarHBondContact CB-SG 3.36Å; C73-C117 WeakPolarHBondContact SG-CA 3.04Å; C73-C117 WeakPolarHBondContact SG-CB 3.42Å; C73-C117 CovalentContact SG-SG 2.04Å; C73-C117 PolarHBondContact SG-SG 2.87Å; C73-F151 HydrophobicContact CB-CD2 4.01Å; C73-F151 HydrophobicContact CB-CE2 3.97Å; C73-E170 HydrophobicContact CB-CB 4.14Å
74G96.6Very high97.5Very high0 Ų05.7 Ų5.70%04%0.038CC..BIsolated β-bridgetrans-69.954.8175.800000114G20 G23 W77 C117 G119G20-G74 WeakPolarHBondContact O-CA 3.33Å; G20-G74 PolarHBondContact O-N 2.84Å; G23-G74 WeakPolarHBondContact CA-O 3.4Å; G74-W77 PolarHBondContact O-NE1 3.09Å; G74-C117 WeakPolarHBondContact CA-O 3.14Å; G74-C117 PolarHBondContact N-O 3.08Å; G74-G119 WeakPolarHBondContact O-CA 3.42Å; G74-G119 PolarHBondContact O-N 3.07Å
75S97.8Very high97.5Very high0 Ų05.7 Ų5.70%04%0.038CC..  trans-110.413.5-172.457.60000113.7C73 W77 A78 F79 L107 Y149C73-S75 PolarHBondContact O-N 3.16Å; C73-S75 PolarHBondContact O-OG 2.79Å; C73-S75 WeakPolarHBondContact SG-CB 3.38Å; C73-S75 PolarHBondContact SG-OG 3.02Å; S75-W77 PolarHBondContact O-N 3.3Å; S75-W77 VanDerWaalsContact O-N 3.13Å; S75-A78 WeakPolarHBondContact O-CA 3.42Å; S75-A78 WeakPolarHBondContact O-CB 3.27Å; S75-A78 PolarHBondContact O-N 3.18Å; S75-F79 WeakPolarHBondContact O-CD2 3.36Å; S75-F79 PolarHBondContact O-N 3.08Å; S75-F79 WeakPolarHBondContact OG-CE2 3.48Å; S75-L107 VanDerWaalsContact CB-CD1 3.47Å; S75-Y149 PolarHBondContact OG-OH 2.83Å
76C97.9Very high97.5Very high0 Ų03.9 Ų3.90%02%0.019CC..Hα-helixtrans-50.3-40178.367.10000112.7G23 Q70 A78 F79 G80 H246 A247G23-C76 VanDerWaalsContact C-SG 3.53Å; G23-C76 WeakPolarHBondContact CA-SG 3.46Å; G23-C76 PolarHBondContact N-SG 3.41Å; Q70-C76 VanDerWaalsContact OE1-CB 3.26Å; C76-A78 PolarHBondContact O-N 3.27Å; C76-F79 PolarHBondContact O-N 2.94Å; C76-G80 PolarHBondContact O-N 2.89Å; C76-H246 WeakPolarHBondContact CB-CE1 3.41Å; C76-H246 VanDerWaalsContact CB-ND1 3.27Å; C76-H246 WeakPolarHBondContact CB-ND1 3.49Å; C76-H246 PolarHBondContact SG-ND1 3.41Å; C76-A247 HydrophobicContact CB-CB 4.37Å; C76-A247 PolarHBondContact SG-N 2.83Å
77W97.6Very high97.6Very high0 Ų02.3 Ų2.30%01%0.012CC..Hα-helixtrans-60-24.9176.170-91.4000113.9G74 S75 L106 L107 C113 G116 P122 A125G74-W77 PolarHBondContact O-NE1 3.09Å; S75-W77 PolarHBondContact O-N 3.3Å; S75-W77 VanDerWaalsContact O-N 3.13Å; W77-L106 HydrophobicContact CH2-CG 4.31Å; W77-L106 HydrophobicContact CZ3-CD1 4.21Å; W77-L106 HydrophobicContact CZ3-CD2 4.25Å; W77-L106 HydrophobicContact CZ3-CG 3.93Å; W77-L107 HydrophobicContact CZ2-CD1 3.9Å; W77-C113 HydrophobicContact CE3-CB 4.13Å; W77-C113 HydrophobicContact CH2-CB 3.43Å; W77-C113 VanDerWaalsContact CH2-CB 3.43Å; W77-C113 HydrophobicContact CZ2-CB 4.39Å; W77-C113 HydrophobicContact CZ3-CB 3.27Å; W77-G116 PolarHBondContact NE1-O 2.5Å; W77-P122 HydrophobicContact CB-CG 4.2Å; W77-A125 HydrophobicContact CE3-CB 4.02Å; W77-A125 HydrophobicContact CZ3-CB 4.03Å
78A98.4Very high97.6Very high0 Ų01.9 Ų1.90%01%0.009CC..Hα-helixtrans-90.4-35.1173.900000110.7S75 C76 V82 L106 L107S75-A78 WeakPolarHBondContact O-CA 3.42Å; S75-A78 WeakPolarHBondContact O-CB 3.27Å; S75-A78 PolarHBondContact O-N 3.18Å; C76-A78 PolarHBondContact O-N 3.27Å; A78-V82 WeakPolarHBondContact O-CG1 3.34Å; A78-V82 WeakPolarHBondContact O-CG2 3.46Å; A78-V82 PolarHBondContact O-N 3.43Å; A78-L106 HydrophobicContact CB-CD2 3.77Å; A78-L106 HydrophobicContact CB-CG 4.09Å; A78-L107 HydrophobicContact CB-CB 4.39Å
79F98.6Very high97.7Very high1 Ų11.5 Ų1.50%0.0041%0.008CC..Hα-helixtrans-66.6-54.9179.1-88.4-109.5000112.2R68 D69 Q70 S75 C76 A81 V82 E83 A103 Y149R68-F79 HydrophobicContact CB-CD1 3.84Å; R68-F79 HydrophobicContact CB-CE1 3.69Å; D69-F79 WeakPolarHBondContact O-CE1 3.37Å; D69-F79 WeakPolarHBondContact O-CZ 3.16Å; Q70-F79 VanDerWaalsContact CA-CZ 3.46Å; Q70-F79 HydrophobicContact CB-CD1 4.29Å; Q70-F79 HydrophobicContact CB-CD2 3.86Å; Q70-F79 HydrophobicContact CB-CE1 4.17Å; Q70-F79 HydrophobicContact CB-CE2 3.73Å; Q70-F79 HydrophobicContact CB-CG 4.15Å; Q70-F79 HydrophobicContact CB-CZ 3.91Å; S75-F79 WeakPolarHBondContact O-CD2 3.36Å; S75-F79 PolarHBondContact O-N 3.08Å; S75-F79 WeakPolarHBondContact OG-CE2 3.48Å; C76-F79 PolarHBondContact O-N 2.94Å; F79-A81 PolarHBondContact O-N 3.32Å; F79-V82 PolarHBondContact O-N 2.96Å; F79-V82 VanDerWaalsContact O-N 3.16Å; F79-E83 VanDerWaalsContact O-CB 3.31Å; F79-E83 WeakPolarHBondContact O-CB 3.12Å; F79-E83 WeakPolarHBondContact O-CG 3.24Å; F79-E83 PolarHBondContact O-N 3.48Å; F79-A103 HydrophobicContact CD2-CB 3.93Å; F79-A103 HydrophobicContact CE2-CB 3.65Å; F79-A103 HydrophobicContact CZ-CB 4.04Å; F79-Y149 HydrophobicContact CE2-CD2 4.02Å; F79-Y149 HydrophobicContact CE2-CE1 4.18Å; F79-Y149 AromaticContact CE2-CE2 3.33Å; F79-Y149 HydrophobicContact CE2-CE2 3.33Å; F79-Y149 AromaticContact CE2-CZ 3.41Å; F79-Y149 VanDerWaalsContact CE2-CZ 3.41Å; F79-Y149 WeakPolarHBondContact CE2-OH 3.36Å; F79-Y149 HydrophobicContact CZ-CD1 4.04Å; F79-Y149 AromaticContact CZ-CD2 3.79Å; F79-Y149 HydrophobicContact CZ-CD2 3.79Å; F79-Y149 AromaticContact CZ-CE1 3.72Å; F79-Y149 HydrophobicContact CZ-CE1 3.72Å; F79-Y149 AromaticContact CZ-CE2 3.49Å; F79-Y149 HydrophobicContact CZ-CE2 3.49Å; F79-Y149 VanDerWaalsContact CZ-CE2 3.49Å; F79-Y149 HydrophobicContact CZ-CG 4.06Å; F79-Y149 AromaticContact CZ-CZ 3.43Å; F79-Y149 VanDerWaalsContact CZ-CZ 3.43Å
80G98.3Very high97.8Very high1 Ų11 Ų11%0.011%0.005CC..Hα-helixtrans-52.3-44.9177.600000111.6C76 A84 E218C76-G80 PolarHBondContact O-N 2.89Å; G80-A84 WeakPolarHBondContact O-CB 3.48Å; G80-A84 PolarHBondContact O-N 2.87Å; G80-A84 VanDerWaalsContact O-N 3.15Å; G80-E218 WeakPolarHBondContact CA-OE1 3.24Å
81A98.6Very high97.8Very high0 Ų02.1 Ų2.10%01%0.011CC..Hα-helixtrans-59.2-59.8174.300000112.7F79 E83 A84 I85 L106 A125 E218F79-A81 PolarHBondContact O-N 3.32Å; A81-E83 VanDerWaalsContact C-N 3.31Å; A81-E83 PolarHBondContact O-N 3.31Å; A81-A84 PolarHBondContact O-N 3.32Å; A81-I85 WeakPolarHBondContact O-CB 3.39Å; A81-I85 WeakPolarHBondContact O-CD1 3.46Å; A81-I85 WeakPolarHBondContact O-CG1 3.13Å; A81-I85 PolarHBondContact O-N 2.97Å; A81-L106 HydrophobicContact CB-CD2 4.03Å; A81-A125 HydrophobicContact CB-CB 3.86Å; A81-E218 WeakPolarHBondContact CB-OE2 3.28Å; A81-E218 PolarHBondContact N-OE1 3.03Å; A81-E218 PolarHBondContact N-OE2 2.91Å
82V98.8Very high97.9Very high0 Ų04 Ų40%03%0.026CC..Hα-helixtrans-70.4-27.7-172.4-59.60000113.3A78 F79 S86 I101 A103 L106 L134A78-V82 WeakPolarHBondContact O-CG1 3.34Å; A78-V82 WeakPolarHBondContact O-CG2 3.46Å; A78-V82 PolarHBondContact O-N 3.43Å; F79-V82 PolarHBondContact O-N 2.96Å; F79-V82 VanDerWaalsContact O-N 3.16Å; V82-S86 WeakPolarHBondContact O-CB 3.45Å; V82-S86 PolarHBondContact O-N 2.75Å; V82-S86 PolarHBondContact O-OG 2.99Å; V82-I101 HydrophobicContact CB-CB 4.01Å; V82-I101 HydrophobicContact CB-CG2 3.89Å; V82-I101 HydrophobicContact CG1-CB 4.45Å; V82-I101 HydrophobicContact CG1-CG2 3.78Å; V82-I101 WeakPolarHBondContact CG2-O 3.49Å; V82-A103 HydrophobicContact CG2-CB 3.89Å; V82-L106 HydrophobicContact CG1-CB 4.2Å; V82-L106 HydrophobicContact CG1-CD2 3.74Å; V82-L134 HydrophobicContact CG1-CD1 4.02Å
83E98.8Very high98.1Very high5 Ų54.2 Ų4.22%0.0233%0.028CC..Hα-helixtrans-65.8-54.2173.1-70.2172.8-172.300110.4R68 F79 A81 I85 S86 D87 R249R68-E83 WeakPolarHBondContact CB-OE1 3.38Å; R68-E83 HydrophobicContact CG-CG 4.24Å; F79-E83 VanDerWaalsContact O-CB 3.31Å; F79-E83 WeakPolarHBondContact O-CB 3.12Å; F79-E83 WeakPolarHBondContact O-CG 3.24Å; F79-E83 PolarHBondContact O-N 3.48Å; A81-E83 VanDerWaalsContact C-N 3.31Å; A81-E83 PolarHBondContact O-N 3.31Å; E83-I85 VanDerWaalsContact C-N 3.31Å; E83-I85 PolarHBondContact O-N 3.16Å; E83-S86 WeakPolarHBondContact O-CB 3.45Å; E83-S86 PolarHBondContact O-N 3.33Å; E83-S86 VanDerWaalsContact O-N 3.09Å; E83-D87 PolarHBondContact O-N 3.34Å; E83-R249 IonicContact OE2-NE 2.66Å; E83-R249 PolarHBondContact OE2-NE 3.46Å
84A98.9Very high98.1Very high0 Ų010.9 Ų10.90%06%0.063CC..Hα-helixtrans-62.9-37.6178.200000112G80 A81 D87 R88 W126 R249G80-A84 WeakPolarHBondContact O-CB 3.48Å; G80-A84 PolarHBondContact O-N 2.87Å; G80-A84 VanDerWaalsContact O-N 3.15Å; A81-A84 PolarHBondContact O-N 3.32Å; A84-D87 PolarHBondContact O-N 3.22Å; A84-R88 WeakPolarHBondContact O-CB 3.2Å; A84-R88 WeakPolarHBondContact O-CG 3.15Å; A84-R88 PolarHBondContact O-N 3.46Å; A84-W126 HydrophobicContact CB-CH2 3.85Å; A84-W126 HydrophobicContact CB-CZ2 3.78Å; A84-R249 HydrophobicContact CB-CG 4.34Å
85I98.9Very high98.1Very high0 Ų011.6 Ų11.60%07%0.071CC..Hα-helixtrans-61.7-44.2173.6-69.6164.7000110.7A81 E83 D87 R88 I89 I101 W126 W129 L134A81-I85 WeakPolarHBondContact O-CB 3.39Å; A81-I85 WeakPolarHBondContact O-CD1 3.46Å; A81-I85 WeakPolarHBondContact O-CG1 3.13Å; A81-I85 PolarHBondContact O-N 2.97Å; E83-I85 VanDerWaalsContact C-N 3.31Å; E83-I85 PolarHBondContact O-N 3.16Å; I85-D87 VanDerWaalsContact C-N 3.31Å; I85-D87 PolarHBondContact O-N 2.59Å; I85-R88 PolarHBondContact O-N 3.43Å; I85-I89 HydrophobicContact CG2-CD1 3.77Å; I85-I89 HydrophobicContact CG2-CG1 4.37Å; I85-I89 WeakPolarHBondContact O-CD1 3.42Å; I85-I89 VanDerWaalsContact O-CG1 3.24Å; I85-I89 WeakPolarHBondContact O-CG1 3.18Å; I85-I89 PolarHBondContact O-N 3.18Å; I85-I101 HydrophobicContact CG2-CG1 3.91Å; I85-W126 HydrophobicContact CD1-CE3 4.43Å; I85-W126 HydrophobicContact CG1-CE3 4.05Å; I85-W126 HydrophobicContact CG1-CH2 3.88Å; I85-W126 HydrophobicContact CG1-CZ2 4.42Å; I85-W126 HydrophobicContact CG1-CZ3 3.66Å; I85-W129 HydrophobicContact CD1-CB 3.84Å; I85-W129 HydrophobicContact CD1-CD2 3.8Å; I85-W129 HydrophobicContact CD1-CE3 4.12Å; I85-W129 HydrophobicContact CD1-CG 3.69Å; I85-W129 HydrophobicContact CG1-CD2 3.99Å; I85-W129 HydrophobicContact CG1-CE3 4.07Å; I85-W129 HydrophobicContact CG1-CG 4.39Å; I85-W129 HydrophobicContact CG1-CZ3 4.36Å; I85-W129 HydrophobicContact CG2-CD2 4.08Å; I85-W129 HydrophobicContact CG2-CG 4.41Å; I85-W129 HydrophobicContact CG2-CH2 4.41Å; I85-W129 HydrophobicContact CG2-CZ2 3.71Å; I85-L134 HydrophobicContact CD1-CD1 4.15Å
86S98.8Very high98Very high0 Ų019.4 Ų19.40%010%0.1CC..Hα-helixtrans-57.8-46.1178.4-60.10000110.7R68 V82 E83 I89 C90 P99 I101R68-S86 PolarHBondContact NH2-OG 3.2Å; V82-S86 WeakPolarHBondContact O-CB 3.45Å; V82-S86 PolarHBondContact O-N 2.75Å; V82-S86 PolarHBondContact O-OG 2.99Å; E83-S86 WeakPolarHBondContact O-CB 3.45Å; E83-S86 PolarHBondContact O-N 3.33Å; E83-S86 VanDerWaalsContact O-N 3.09Å; S86-I89 PolarHBondContact O-N 3.39Å; S86-C90 PolarHBondContact O-N 2.87Å; S86-P99 WeakPolarHBondContact CB-O 3.27Å; S86-P99 PolarHBondContact OG-O 3.37Å; S86-I101 PolarHBondContact OG-N 3.08Å
87D98.9Very high97.9Very high0 Ų021 Ų210%011%0.107CC..Hα-helixtrans-62.9-47.9177.3-59-29.7000112.2T63 I64 E83 A84 I85 I89 C90 I91 P216 R249T63-D87 WeakPolarHBondContact CB-OD1 3.22Å; T63-D87 PolarHBondContact OG1-OD1 2.04Å; I64-D87 WeakPolarHBondContact CA-OD1 3.22Å; I64-D87 HydrophobicContact CG1-CB 3.97Å; I64-D87 PolarHBondContact N-OD1 3.18Å; I64-D87 VanDerWaalsContact N-OD1 3.09Å; E83-D87 PolarHBondContact O-N 3.34Å; A84-D87 PolarHBondContact O-N 3.22Å; I85-D87 VanDerWaalsContact C-N 3.31Å; I85-D87 PolarHBondContact O-N 2.59Å; D87-I89 VanDerWaalsContact C-N 3.26Å; D87-I89 PolarHBondContact O-N 3.5Å; D87-C90 CarbonylContact O-C 3.1Å; D87-C90 WeakPolarHBondContact O-CA 3.33Å; D87-C90 WeakPolarHBondContact O-CB 3.38Å; D87-C90 PolarHBondContact O-N 2.83Å; D87-I91 WeakPolarHBondContact O-CG1 3.27Å; D87-I91 PolarHBondContact O-N 2.93Å; D87-P216 HydrophobicContact CB-CB 4.43Å; D87-P216 HydrophobicContact CB-CG 4.11Å; D87-P216 WeakPolarHBondContact OD2-CB 3.03Å; D87-P216 WeakPolarHBondContact OD2-CG 3.29Å; D87-R249 IonicContact OD1-NH1 2.78Å; D87-R249 PolarHBondContact OD1-NH1 3.34Å; D87-R249 VanDerWaalsContact OD2-CD 3.31Å; D87-R249 WeakPolarHBondContact OD2-CD 3.46Å; D87-R249 IonicContact OD2-CZ 2.82Å; D87-R249 IonicContact OD2-NE 3.38Å; D87-R249 IonicContact OD2-NH1 3.26Å; D87-R249 PolarHBondContact OD2-NH1 3.25Å
88R98.7Very high97.9Very high7 Ų725.9 Ų25.93%0.02613%0.129CC..Hα-helixtrans-65.3-30.5-177.8-73.7-178.3172.4-111.6-11.8112.6A84 I85 A92 Y198 E210 N214 G215 P216 G296A84-R88 WeakPolarHBondContact O-CB 3.2Å; A84-R88 WeakPolarHBondContact O-CG 3.15Å; A84-R88 PolarHBondContact O-N 3.46Å; I85-R88 PolarHBondContact O-N 3.43Å; R88-A92 WeakPolarHBondContact O-CB 3.42Å; R88-A92 PolarHBondContact O-N 2.82Å; R88-Y198 PolarHBondContact NH1-OH 3.03Å; R88-E210 IonicContact CZ-OE1 2.79Å; R88-E210 IonicContact NH1-OE1 3.93Å; R88-E210 PolarHBondContact NH1-OE1 2.82Å; R88-E210 IonicContact NH2-OE1 3.79Å; R88-E210 PolarHBondContact NH2-OE1 3Å; R88-N214 WeakPolarHBondContact CG-O 3.43Å; R88-G215 PolarHBondContact NH2-O 3.5Å; R88-P216 PolarHBondContact NE-O 2.99Å; R88-P216 PolarHBondContact NH2-O 2.84Å; R88-G296 VanDerWaalsContact CD-O 3.32Å; R88-G296 WeakPolarHBondContact CD-O 3.18Å; R88-G296 PolarHBondContact NH1-O 3.2Å
89I98.6Very high97.9Very high0 Ų026.4 Ų26.40%013%0.132CC..Hα-helixtrans-64.9-45.7169.8-68162.2000109.9I85 S86 D87 T93 Q97 P99 I101 Y192 Y298I85-I89 HydrophobicContact CG2-CD1 3.77Å; I85-I89 HydrophobicContact CG2-CG1 4.37Å; I85-I89 WeakPolarHBondContact O-CD1 3.42Å; I85-I89 VanDerWaalsContact O-CG1 3.24Å; I85-I89 WeakPolarHBondContact O-CG1 3.18Å; I85-I89 PolarHBondContact O-N 3.18Å; S86-I89 PolarHBondContact O-N 3.39Å; D87-I89 VanDerWaalsContact C-N 3.26Å; D87-I89 PolarHBondContact O-N 3.5Å; I89-T93 WeakPolarHBondContact O-CB 3.16Å; I89-T93 VanDerWaalsContact O-CG2 3.28Å; I89-T93 WeakPolarHBondContact O-CG2 3.19Å; I89-T93 PolarHBondContact O-N 2.66Å; I89-T93 VanDerWaalsContact O-N 3.08Å; I89-T93 PolarHBondContact O-OG1 2.88Å; I89-Q97 HydrophobicContact CG2-CB 3.88Å; I89-P99 HydrophobicContact CB-CG 4.09Å; I89-P99 HydrophobicContact CD1-CG 3.85Å; I89-P99 HydrophobicContact CG2-CG 3.67Å; I89-I101 HydrophobicContact CD1-CD1 3.71Å; I89-I101 HydrophobicContact CD1-CG1 3.78Å; I89-Y192 HydrophobicContact CD1-CD1 3.81Å; I89-Y192 HydrophobicContact CD1-CG 4.15Å; I89-Y192 HydrophobicContact CG2-CD1 4.25Å; I89-Y192 HydrophobicContact CG2-CE1 4.31Å; I89-Y298 HydrophobicContact CB-CD1 4.45Å; I89-Y298 HydrophobicContact CB-CG 4.39Å; I89-Y298 HydrophobicContact CD1-CD2 4.35Å; I89-Y298 HydrophobicContact CD1-CE2 4.46Å; I89-Y298 HydrophobicContact CG1-CD1 4.26Å; I89-Y298 HydrophobicContact CG1-CD2 3.63Å; I89-Y298 HydrophobicContact CG1-CE2 4.04Å; I89-Y298 HydrophobicContact CG1-CG 3.75Å; I89-Y298 HydrophobicContact CG2-CD1 4.18Å; I89-Y298 HydrophobicContact CG2-CE1 4.04Å
90C98.5Very high97.9Very high0 Ų027.9 Ų27.90%014%0.139CC..Hα-helixtrans-62.7-48.6178.2-175.40000112.7C61 S86 D87 T93 N94 G95 Q97C61-C90 WeakPolarHBondContact CA-SG 3.13Å; C61-C90 HydrophobicContact CB-CB 3.78Å; C61-C90 WeakPolarHBondContact CB-SG 3.21Å; C61-C90 WeakPolarHBondContact SG-CB 2.98Å; C61-C90 CovalentContact SG-SG 2.04Å; C61-C90 PolarHBondContact SG-SG 3.43Å; S86-C90 PolarHBondContact O-N 2.87Å; D87-C90 CarbonylContact O-C 3.1Å; D87-C90 WeakPolarHBondContact O-CA 3.33Å; D87-C90 WeakPolarHBondContact O-CB 3.38Å; D87-C90 PolarHBondContact O-N 2.83Å; C90-T93 CarbonylContact O-C 3.55Å; C90-T93 PolarHBondContact O-N 3.38Å; C90-T93 PolarHBondContact O-OG1 3.35Å; C90-N94 PolarHBondContact O-N 3.24Å; C90-N94 VanDerWaalsContact O-N 3.09Å; C90-G95 PolarHBondContact O-N 2.9Å; C90-Q97 WeakPolarHBondContact CA-O 3.18Å; C90-Q97 WeakPolarHBondContact CB-O 3.35Å
91I98Very high97.9Very high24 Ų2427.9 Ų27.912%0.12314%0.139CC..Hα-helixtrans-60.2-51.5178.8-68170000110.3W58 I64 D87 T93 N94W58-I91 HydrophobicContact CB-CG1 4.24Å; W58-I91 HydrophobicContact CD2-CD1 3.67Å; W58-I91 HydrophobicContact CD2-CG1 3.76Å; W58-I91 HydrophobicContact CD2-CG2 4.35Å; W58-I91 HydrophobicContact CE3-CD1 3.62Å; W58-I91 HydrophobicContact CE3-CG1 4.22Å; W58-I91 HydrophobicContact CG-CD1 4.18Å; W58-I91 HydrophobicContact CG-CG1 3.76Å; W58-I91 HydrophobicContact CH2-CD1 4.39Å; W58-I91 HydrophobicContact CZ2-CD1 4.41Å; W58-I91 HydrophobicContact CZ2-CG2 4.14Å; W58-I91 HydrophobicContact CZ3-CD1 4Å; I64-I91 HydrophobicContact CD1-CD1 4.08Å; I64-I91 HydrophobicContact CD1-CG1 4.31Å; D87-I91 WeakPolarHBondContact O-CG1 3.27Å; D87-I91 PolarHBondContact O-N 2.93Å; I91-T93 PolarHBondContact O-N 3.26Å; I91-N94 PolarHBondContact O-N 2.9Å
92A97.2Very high97.9Very high41 Ų4127.9 Ų27.934%0.33914%0.139SC..Hα-helixtrans-64.3-27.6-177.500000112.5R88 Y298 Q300R88-A92 WeakPolarHBondContact O-CB 3.42Å; R88-A92 PolarHBondContact O-N 2.82Å; A92-Y298 HydrophobicContact CB-CD1 4.47Å; A92-Q300 PolarHBondContact O-NE2 2.89Å
93T96.6Very high97.9Very high9 Ų928 Ų286%0.05514%0.14CC..THydrogen-bonded Turntrans-95.28.9177.965.50000113.8I89 C90 I91 G95 R96 Q97 Y298I89-T93 WeakPolarHBondContact O-CB 3.16Å; I89-T93 VanDerWaalsContact O-CG2 3.28Å; I89-T93 WeakPolarHBondContact O-CG2 3.19Å; I89-T93 PolarHBondContact O-N 2.66Å; I89-T93 VanDerWaalsContact O-N 3.08Å; I89-T93 PolarHBondContact O-OG1 2.88Å; C90-T93 CarbonylContact O-C 3.55Å; C90-T93 PolarHBondContact O-N 3.38Å; C90-T93 PolarHBondContact O-OG1 3.35Å; I91-T93 PolarHBondContact O-N 3.26Å; T93-G95 VanDerWaalsContact C-N 3.31Å; T93-G95 PolarHBondContact O-N 3.48Å; T93-R96 VanDerWaalsContact O-CB 3.24Å; T93-R96 WeakPolarHBondContact O-CB 3.42Å; T93-R96 PolarHBondContact O-N 3.27Å; T93-R96 VanDerWaalsContact O-N 3.16Å; T93-Q97 HydrophobicContact CG2-CB 4.28Å; T93-Q97 HydrophobicContact CG2-CG 4.14Å; T93-Q97 PolarHBondContact OG1-N 3.42Å; T93-Y298 HydrophobicContact CG2-CD1 4.04Å; T93-Y298 HydrophobicContact CG2-CE1 3.77Å
94N95.4Very high97.9Very high140 Ų14027.9 Ų27.975%0.74914%0.14SC*.THydrogen-bonded Turntrans51.148.1-177.6-165.335.6000112.4C90 I91 R96C90-N94 PolarHBondContact O-N 3.24Å; C90-N94 VanDerWaalsContact O-N 3.09Å; I91-N94 PolarHBondContact O-N 2.9Å; N94-R96 VanDerWaalsContact C-N 3.27Å; N94-R96 PolarHBondContact O-N 3.22Å
95G95.9Very high97.9Very high15 Ų1527.9 Ų27.916%0.15514%0.14CC..THydrogen-bonded Turntrans78.7-2.5178.600000115.7C90 T93 K98C90-G95 PolarHBondContact O-N 2.9Å; T93-G95 VanDerWaalsContact C-N 3.31Å; T93-G95 PolarHBondContact O-N 3.48Å; G95-K98 WeakPolarHBondContact O-CE 3.18Å
96R96Very high97.9Very high165 Ų16527.9 Ų27.962%0.62314%0.14SC*.SBendtrans-68.7-33.8-178.9-179.2176.354.61211.3112.9T93 N94T93-R96 VanDerWaalsContact O-CB 3.24Å; T93-R96 WeakPolarHBondContact O-CB 3.42Å; T93-R96 PolarHBondContact O-N 3.27Å; T93-R96 VanDerWaalsContact O-N 3.16Å; N94-R96 VanDerWaalsContact C-N 3.27Å; N94-R96 PolarHBondContact O-N 3.22Å
97Q97Very high97.8Very high32 Ų3228.1 Ų28.115%0.1514%0.141CC..  trans-116.3135.8174.8-61.617911.900108.8I89 C90 T93 P99 Y192 Y298I89-Q97 HydrophobicContact CG2-CB 3.88Å; C90-Q97 WeakPolarHBondContact CA-O 3.18Å; C90-Q97 WeakPolarHBondContact CB-O 3.35Å; T93-Q97 HydrophobicContact CG2-CB 4.28Å; T93-Q97 HydrophobicContact CG2-CG 4.14Å; T93-Q97 PolarHBondContact OG1-N 3.42Å; Q97-P99 VanDerWaalsContact C-CD 3.48Å; Q97-Y192 VanDerWaalsContact OE1-CE1 3.3Å; Q97-Y298 PolarHBondContact OE1-OH 3.3Å; Q97-Y298 VanDerWaalsContact OE1-OH 3.06Å
98K97.5Very high97.8Very high104 Ų10428.1 Ų28.145%0.45214%0.141SC..  trans-134.452.1179.5-56.5173.8-172.2-1740110.5N60 P62 G95N60-K98 WeakPolarHBondContact O-CE 3.32Å; N60-K98 PolarHBondContact O-NZ 2.62Å; P62-K98 HydrophobicContact CG-CD 4.14Å; G95-K98 WeakPolarHBondContact O-CE 3.18Å
99P97.8Very high97.8Very high11 Ų1128.5 Ų28.57%0.07115%0.145CC..  trans-74.8142.3-172.332.8-34000110.5S86 I89 Q97 I101 T136 Y192S86-P99 WeakPolarHBondContact CB-O 3.27Å; S86-P99 PolarHBondContact OG-O 3.37Å; I89-P99 HydrophobicContact CB-CG 4.09Å; I89-P99 HydrophobicContact CD1-CG 3.85Å; I89-P99 HydrophobicContact CG2-CG 3.67Å; Q97-P99 VanDerWaalsContact C-CD 3.48Å; P99-I101 HydrophobicContact CB-CD1 4.08Å; P99-I101 HydrophobicContact CG-CD1 4.08Å; P99-I101 PolarHBondContact O-N 3.15Å; P99-T136 HydrophobicContact CB-CG2 4.04Å; P99-Y192 HydrophobicContact CB-CE1 4.26Å; P99-Y192 HydrophobicContact CB-CE2 4.37Å; P99-Y192 HydrophobicContact CG-CD1 4.29Å; P99-Y192 HydrophobicContact CG-CE1 3.93Å
100H98.5Very high97.7Very high32 Ų3228.7 Ų28.715%0.14815%0.146CC..  trans-81.4108.9156.8-60.691000108.3E66 T136 G137 D144E66-H100 IonicContact OE1-CD2 3.62Å; E66-H100 IonicContact OE1-NE2 3.84Å; E66-H100 PolarHBondContact OE1-NE2 3.07Å; E66-H100 IonicContact OE2-CD2 3.22Å; E66-H100 PolarHBondContact OE2-CD2 3.36Å; E66-H100 VanDerWaalsContact OE2-CD2 3.26Å; E66-H100 IonicContact OE2-CE1 3.22Å; E66-H100 IonicContact OE2-NE2 2.72Å; E66-H100 PolarHBondContact OE2-NE2 3.09Å; H100-T136 CarbonylContact O-C 3.52Å; H100-T136 WeakPolarHBondContact O-CA 3.12Å; H100-G137 PolarHBondContact O-N 3.48Å; H100-D144 IonicContact ND1-OD2 2.83Å
101I98.7Very high97.6Very high0 Ų035.5 Ų35.50%018%0.175CC..BIsolated β-bridgetrans-74.3136.2173.4-59.9-56.3000109.9R68 V82 I85 S86 I89 P99 A103 L134 G137 Y192R68-I101 PolarHBondContact NH1-O 3.32Å; V82-I101 HydrophobicContact CB-CB 4.01Å; V82-I101 HydrophobicContact CB-CG2 3.89Å; V82-I101 HydrophobicContact CG1-CB 4.45Å; V82-I101 HydrophobicContact CG1-CG2 3.78Å; V82-I101 WeakPolarHBondContact CG2-O 3.49Å; I85-I101 HydrophobicContact CG2-CG1 3.91Å; S86-I101 PolarHBondContact OG-N 3.08Å; I89-I101 HydrophobicContact CD1-CD1 3.71Å; I89-I101 HydrophobicContact CD1-CG1 3.78Å; P99-I101 HydrophobicContact CB-CD1 4.08Å; P99-I101 HydrophobicContact CG-CD1 4.08Å; P99-I101 PolarHBondContact O-N 3.15Å; I101-A103 PolarHBondContact O-N 2.85Å; I101-L134 HydrophobicContact CG2-CB 3.5Å; I101-L134 VanDerWaalsContact CG2-CB 3.5Å; I101-L134 HydrophobicContact CG2-CD1 3.73Å; I101-L134 HydrophobicContact CG2-CG 4.25Å; I101-G137 CarbonylContact C-O 3.57Å; I101-Y192 HydrophobicContact CD1-CD2 3.94Å; I101-Y192 HydrophobicContact CD1-CG 3.9Å
102S98.8Very high97.3Very high0 Ų039.4 Ų39.40%019%0.193CC..  trans-74.2112.3-172.3177.20000112T104 D105 L106 V135 G137 R147S102-T104 PolarHBondContact O-N 2.95Å; S102-T104 PolarHBondContact OG-N 3.31Å; S102-D105 PolarHBondContact O-N 3.43Å; S102-D105 PolarHBondContact OG-N 3.43Å; S102-L106 PolarHBondContact O-N 3.39Å; S102-V135 VanDerWaalsContact CB-O 3.32Å; S102-V135 WeakPolarHBondContact CB-O 3.39Å; S102-V135 PolarHBondContact N-O 2.81Å; S102-G137 WeakPolarHBondContact CA-O 3.34Å; S102-R147 WeakPolarHBondContact CB-O 3.23Å; S102-R147 VanDerWaalsContact OG-CB 3.29Å; S102-R147 WeakPolarHBondContact OG-CB 3.32Å; S102-R147 PolarHBondContact OG-O 3.26Å
103A98.5Very high97.2Very high3 Ų337.4 Ų37.43%0.02518%0.177CC..Hα-helixtrans-59.4-37.5166.600000110.6F79 V82 I101 D105 L106 L107 Y149F79-A103 HydrophobicContact CD2-CB 3.93Å; F79-A103 HydrophobicContact CE2-CB 3.65Å; F79-A103 HydrophobicContact CZ-CB 4.04Å; V82-A103 HydrophobicContact CG2-CB 3.89Å; I101-A103 PolarHBondContact O-N 2.85Å; A103-D105 PolarHBondContact O-N 2.74Å; A103-L106 PolarHBondContact O-N 3.13Å; A103-L107 WeakPolarHBondContact O-CB 3.34Å; A103-L107 PolarHBondContact O-N 3.17Å; A103-Y149 HydrophobicContact CB-CD2 3.96Å; A103-Y149 HydrophobicContact CB-CE2 4.12Å
104T98.5Very high97Very high3 Ų337.7 Ų37.72%0.01818%0.182CC..Hα-helixtrans-64.2-42-179.6-47.70000113S102 S108 P148 Y149 P150S102-T104 PolarHBondContact O-N 2.95Å; S102-T104 PolarHBondContact OG-N 3.31Å; T104-S108 WeakPolarHBondContact O-CB 3.45Å; T104-S108 PolarHBondContact O-N 2.92Å; T104-S108 PolarHBondContact O-OG 3.33Å; T104-P148 PolarHBondContact OG1-O 3.11Å; T104-Y149 WeakPolarHBondContact OG1-CA 3.41Å; T104-P150 HydrophobicContact CG2-CG 4.28Å; T104-P150 WeakPolarHBondContact OG1-CD 3.37Å
105D98.7Very high97Very high0 Ų038 Ų380%018%0.177CC..Hα-helixtrans-61.4-49.2177.2-172.640.3000110.5S102 A103 C109 L134 V135 R147 Y187 K191S102-D105 PolarHBondContact O-N 3.43Å; S102-D105 PolarHBondContact OG-N 3.43Å; A103-D105 PolarHBondContact O-N 2.74Å; D105-C109 WeakPolarHBondContact O-CB 3.28Å; D105-C109 PolarHBondContact O-N 2.97Å; D105-L134 HydrophobicContact CB-CD2 4.41Å; D105-L134 WeakPolarHBondContact OD2-CA 3.31Å; D105-V135 HydrophobicContact CB-CG2 3.77Å; D105-V135 PolarHBondContact OD2-N 3.4Å; D105-R147 HydrophobicContact CB-CB 4.49Å; D105-Y187 WeakPolarHBondContact OD1-CE2 3.3Å; D105-Y187 PolarHBondContact OD1-OH 2.97Å; D105-K191 IonicContact OD1-NZ 3.42Å; D105-K191 IonicContact OD2-NZ 3.81Å; D105-K191 PolarHBondContact OD2-NZ 2.73Å
106L98.7Very high97Very high0 Ų037.5 Ų37.50%017%0.171CC..Hα-helixtrans-60.6-56.3176.4178.359.2000111.7W77 A78 A81 V82 S102 A103 S108 C109 C110 A125 F128 L134W77-L106 HydrophobicContact CH2-CG 4.31Å; W77-L106 HydrophobicContact CZ3-CD1 4.21Å; W77-L106 HydrophobicContact CZ3-CD2 4.25Å; W77-L106 HydrophobicContact CZ3-CG 3.93Å; A78-L106 HydrophobicContact CB-CD2 3.77Å; A78-L106 HydrophobicContact CB-CG 4.09Å; A81-L106 HydrophobicContact CB-CD2 4.03Å; V82-L106 HydrophobicContact CG1-CB 4.2Å; V82-L106 HydrophobicContact CG1-CD2 3.74Å; S102-L106 PolarHBondContact O-N 3.39Å; A103-L106 PolarHBondContact O-N 3.13Å; L106-S108 VanDerWaalsContact C-N 3.35Å; L106-S108 PolarHBondContact O-N 3.06Å; L106-C109 PolarHBondContact O-N 2.94Å; L106-C110 HydrophobicContact CD1-CB 3.93Å; L106-C110 VanDerWaalsContact O-CB 3.27Å; L106-C110 WeakPolarHBondContact O-CB 3.21Å; L106-C110 PolarHBondContact O-N 3.16Å; L106-A125 HydrophobicContact CD1-CB 4.12Å; L106-A125 HydrophobicContact CD2-CB 3.84Å; L106-A125 HydrophobicContact CG-CB 4.48Å; L106-F128 HydrophobicContact CD1-CB 4.33Å; L106-F128 HydrophobicContact CD1-CD1 3.75Å; L106-F128 HydrophobicContact CD1-CE1 4.46Å; L106-F128 HydrophobicContact CD1-CG 4.3Å; L106-L134 HydrophobicContact CB-CD1 4.2Å; L106-L134 HydrophobicContact CB-CD2 3.66Å; L106-L134 HydrophobicContact CD1-CD1 4.41Å; L106-L134 HydrophobicContact CD1-CD2 4.15Å; L106-L134 HydrophobicContact CD2-CD1 4.38Å; L106-L134 HydrophobicContact CG-CD2 4.47Å
107L97.6Very high97Very high4 Ų429.7 Ų29.72%0.02114%0.142CC..Hα-helixtrans-54.6-46.2-177.8178.572.4000112.6S75 W77 A78 A103 G116 Y149S75-L107 VanDerWaalsContact CB-CD1 3.47Å; W77-L107 HydrophobicContact CZ2-CD1 3.9Å; A78-L107 HydrophobicContact CB-CB 4.39Å; A103-L107 WeakPolarHBondContact O-CB 3.34Å; A103-L107 PolarHBondContact O-N 3.17Å; L107-G116 VanDerWaalsContact CD1-CA 3.49Å; L107-G116 WeakPolarHBondContact CD1-O 3.47Å; L107-Y149 HydrophobicContact CD2-CE2 4.43Å
108S98.2Very high96.9Very high0 Ų033.3 Ų33.30%016%0.162CC..Hα-helixtrans-85.1-32.9-173.464.80000113.1T104 L106 K111 R147 P173 C175T104-S108 WeakPolarHBondContact O-CB 3.45Å; T104-S108 PolarHBondContact O-N 2.92Å; T104-S108 PolarHBondContact O-OG 3.33Å; L106-S108 VanDerWaalsContact C-N 3.35Å; L106-S108 PolarHBondContact O-N 3.06Å; S108-K111 WeakPolarHBondContact O-CE 3.2Å; S108-K111 PolarHBondContact O-NZ 2.9Å; S108-R147 PolarHBondContact OG-NH2 3.03Å; S108-P173 WeakPolarHBondContact CB-O 3.32Å; S108-C175 WeakPolarHBondContact O-CB 3.38Å
109C98.5Very high96.8Very high16 Ų1628.5 Ų28.511%0.10814%0.142CC..Hα-helixtrans-103.1-21.2-170.9-62.80000115D105 L106 K111 F128 C175D105-C109 WeakPolarHBondContact O-CB 3.28Å; D105-C109 PolarHBondContact O-N 2.97Å; L106-C109 PolarHBondContact O-N 2.94Å; C109-K111 PolarHBondContact O-N 3.09Å; C109-F128 HydrophobicContact CB-CZ 4.32Å; C109-C175 VanDerWaalsContact CA-SG 3.55Å; C109-C175 HydrophobicContact CB-CB 4.01Å; C109-C175 WeakPolarHBondContact CB-SG 3.33Å; C109-C175 VanDerWaalsContact SG-CA 3.57Å; C109-C175 WeakPolarHBondContact SG-CB 3.46Å; C109-C175 CovalentContact SG-SG 2.05Å; C109-C175 PolarHBondContact SG-SG 2.88Å
110C97.8Very high96.7Very high4 Ų428 Ų283%0.02714%0.139CC..  trans-81.882.8174.6-171.90000111.8L106 Q112 C113 F128L106-C110 HydrophobicContact CD1-CB 3.93Å; L106-C110 VanDerWaalsContact O-CB 3.27Å; L106-C110 WeakPolarHBondContact O-CB 3.21Å; L106-C110 PolarHBondContact O-N 3.16Å; C110-Q112 PolarHBondContact O-N 3.18Å; C110-C113 HydrophobicContact CB-CB 3.67Å; C110-C113 WeakPolarHBondContact CB-SG 3.31Å; C110-C113 WeakPolarHBondContact O-CB 3.33Å; C110-C113 PolarHBondContact O-N 2.69Å; C110-C113 VanDerWaalsContact O-N 3.1Å; C110-C113 WeakPolarHBondContact SG-CB 3.34Å; C110-C113 PolarHBondContact SG-N 2.76Å; C110-C113 CovalentContact SG-SG 2.01Å; C110-C113 PolarHBondContact SG-SG 3.45Å; C110-F128 HydrophobicContact CB-CB 4.27Å; C110-F128 HydrophobicContact CB-CD1 4.05Å; C110-F128 HydrophobicContact CB-CD2 3.68Å; C110-F128 HydrophobicContact CB-CE1 4.29Å; C110-F128 HydrophobicContact CB-CE2 3.94Å; C110-F128 HydrophobicContact CB-CG 3.73Å; C110-F128 HydrophobicContact CB-CZ 4.23Å; C110-F128 WeakPolarHBondContact SG-CD2 3.13Å
111K94.8Very high96.5Very high143 Ų14327.5 Ų27.562%0.62214%0.136SC*.G310 helixtrans-65.2-25.4-179.5-59-49.8-170.5-170.60114.2S108 C109S108-K111 WeakPolarHBondContact O-CE 3.2Å; S108-K111 PolarHBondContact O-NZ 2.9Å; C109-K111 PolarHBondContact O-N 3.09Å
112Q92.3Very high96.4Very high105 Ų10527.7 Ų27.749%0.49114%0.138SC..G310 helixtrans-84.7-8.6176.370.3-159.524.700113.5C110 G114C110-Q112 PolarHBondContact O-N 3.18Å; Q112-G114 VanDerWaalsContact C-N 3.28Å
113C94.9Very high96.3Very high0 Ų028.5 Ų28.50%014%0.143CC..G310 helixtrans-83.5-3.8179.6-65.10000113.1W77 C110 G120 F121 A124 A125W77-C113 HydrophobicContact CE3-CB 4.13Å; W77-C113 HydrophobicContact CH2-CB 3.43Å; W77-C113 VanDerWaalsContact CH2-CB 3.43Å; W77-C113 HydrophobicContact CZ2-CB 4.39Å; W77-C113 HydrophobicContact CZ3-CB 3.27Å; C110-C113 HydrophobicContact CB-CB 3.67Å; C110-C113 WeakPolarHBondContact CB-SG 3.31Å; C110-C113 WeakPolarHBondContact O-CB 3.33Å; C110-C113 PolarHBondContact O-N 2.69Å; C110-C113 VanDerWaalsContact O-N 3.1Å; C110-C113 WeakPolarHBondContact SG-CB 3.34Å; C110-C113 PolarHBondContact SG-N 2.76Å; C110-C113 CovalentContact SG-SG 2.01Å; C110-C113 PolarHBondContact SG-SG 3.45Å; C113-G120 CarbonylContact O-C 3.39Å; C113-G120 WeakPolarHBondContact O-CA 3.15Å; C113-F121 WeakPolarHBondContact O-CD2 3.44Å; C113-F121 PolarHBondContact O-N 2.78Å; C113-A124 HydrophobicContact CB-CB 4.13Å; C113-A124 PolarHBondContact SG-O 3.22Å; C113-A124 VanDerWaalsContact SG-O 3.36Å; C113-A125 VanDerWaalsContact SG-CA 3.6Å; C113-A125 PolarHBondContact SG-N 3.24Å
114G92.3Very high96.1Very high15 Ų1528.8 Ų28.816%0.15515%0.145CC..BIsolated β-bridgetrans127.4-143.7-178.400000112.3Q112Q112-G114 VanDerWaalsContact C-N 3.28Å
115F95.5Very high96.1Very high147 Ų14728.7 Ų28.765%0.64514%0.144SC*.  trans-115.726.6-165.2-55.6-76.1000113.3C117 N118 G119 T172F115-C117 PolarHBondContact O-N 2.9Å; F115-N118 HydrophobicContact CB-CB 3.89Å; F115-N118 PolarHBondContact O-N 2.66Å; F115-N118 PolarHBondContact O-ND2 3.14Å; F115-G119 PolarHBondContact N-O 3.4Å; F115-T172 PolarHBondContact O-OG1 3.16Å
116G95.9Very high96Very high4 Ų428.7 Ų28.74%0.04114%0.144CC..THydrogen-bonded Turntrans68.2-117.5176.300000111.9W77 L107 N118 G119 T172W77-G116 PolarHBondContact NE1-O 2.5Å; L107-G116 VanDerWaalsContact CD1-CA 3.49Å; L107-G116 WeakPolarHBondContact CD1-O 3.47Å; G116-N118 PolarHBondContact O-N 3.11Å; G116-G119 PolarHBondContact O-N 2.83Å; G116-T172 WeakPolarHBondContact CA-OG1 3.35Å
117C96.7Very high95.9Very high0 Ų028.8 Ų28.80%015%0.145CC..THydrogen-bonded Turntrans-70.8-4.7175.9-70.20000114.1C73 G74 F115 G119 E170 T172C73-C117 HydrophobicContact CB-CB 3.93Å; C73-C117 WeakPolarHBondContact CB-SG 3.36Å; C73-C117 WeakPolarHBondContact SG-CA 3.04Å; C73-C117 WeakPolarHBondContact SG-CB 3.42Å; C73-C117 CovalentContact SG-SG 2.04Å; C73-C117 PolarHBondContact SG-SG 2.87Å; G74-C117 WeakPolarHBondContact CA-O 3.14Å; G74-C117 PolarHBondContact N-O 3.08Å; F115-C117 PolarHBondContact O-N 2.9Å; C117-G119 VanDerWaalsContact C-N 3.35Å; C117-E170 WeakPolarHBondContact CB-O 3.35Å; C117-E170 PolarHBondContact SG-O 3.01Å; C117-T172 PolarHBondContact N-OG1 2.98Å
118N95.3Very high96Very high109 Ų10929.3 Ų29.358%0.58315%0.147SC*.BIsolated β-bridgetrans-101.624.1173.9-56.1-70.6000112F115 G116F115-N118 HydrophobicContact CB-CB 3.89Å; F115-N118 PolarHBondContact O-N 2.66Å; F115-N118 PolarHBondContact O-ND2 3.14Å; G116-N118 PolarHBondContact O-N 3.11Å
119G95.3Very high96Very high3 Ų329.3 Ų29.33%0.03115%0.147CC..  trans93.3169.617800000115.4G23 G74 F115 G116 C117G23-G119 CarbonylContact O-C 3.6Å; G23-G119 WeakPolarHBondContact O-CA 3.35Å; G74-G119 WeakPolarHBondContact O-CA 3.42Å; G74-G119 PolarHBondContact O-N 3.07Å; F115-G119 PolarHBondContact N-O 3.4Å; G116-G119 PolarHBondContact O-N 2.83Å; C117-G119 VanDerWaalsContact C-N 3.35Å
120G95.3Very high95.9Very high0 Ų030.1 Ų30.10%015%0.152CC..BIsolated β-bridgetrans-170.7-170.7-175.300000113.7G23 A25 C113G23-G120 PolarHBondContact O-N 3.34Å; A25-G120 PolarHBondContact N-O 2.72Å; C113-G120 CarbonylContact O-C 3.39Å; C113-G120 WeakPolarHBondContact O-CA 3.15Å
121F95.2Very high95.9Very high22 Ų2235.2 Ų35.210%0.09617%0.174CC..  trans-118.2109.1-169.4-54.3-74000109.8A25 H33 C113 P123 A124 A125A25-F121 HydrophobicContact CB-CD1 4.08Å; A25-F121 HydrophobicContact CB-CE1 3.51Å; A25-F121 HydrophobicContact CB-CZ 3.83Å; H33-F121 AromaticContact CE1-CD2 3.41Å; H33-F121 VanDerWaalsContact CE1-CD2 3.41Å; H33-F121 WeakPolarHBondContact CE1-CD2 3.38Å; H33-F121 AromaticContact CE1-CE2 3.38Å; H33-F121 WeakPolarHBondContact CE1-CE2 3.37Å; H33-F121 AromaticContact CE1-CG 3.92Å; H33-F121 AromaticContact CE1-CZ 3.85Å; H33-F121 AromaticContact NE2-CD2 3.85Å; H33-F121 AromaticContact NE2-CE1 3.79Å; H33-F121 AromaticContact NE2-CE2 3.47Å; H33-F121 WeakPolarHBondContact NE2-CE2 3.47Å; H33-F121 AromaticContact NE2-CZ 3.43Å; H33-F121 WeakPolarHBondContact NE2-CZ 3.24Å; C113-F121 WeakPolarHBondContact O-CD2 3.44Å; C113-F121 PolarHBondContact O-N 2.78Å; F121-P123 VanDerWaalsContact C-CD 3.42Å; F121-P123 VanDerWaalsContact C-N 3.34Å; F121-A124 HydrophobicContact CB-CB 4.13Å; F121-A124 PolarHBondContact O-N 3.01Å; F121-A124 VanDerWaalsContact O-N 3.12Å; F121-A125 PolarHBondContact O-N 2.8Å
122P96.1Very high96.1Very high4 Ų432 Ų323%0.02616%0.163CC..Hα-helixtrans-48.2-45.1175.3-29.436.8000114.1V24 W77 A124 A125 W126 E218 A247 I294V24-P122 HydrophobicContact CG1-CG 4.37Å; V24-P122 HydrophobicContact CG2-CG 4.21Å; W77-P122 HydrophobicContact CB-CG 4.2Å; P122-A124 VanDerWaalsContact C-N 3.3Å; P122-A124 PolarHBondContact O-N 3.15Å; P122-A125 WeakPolarHBondContact O-CB 3.32Å; P122-A125 PolarHBondContact O-N 3.14Å; P122-A125 VanDerWaalsContact O-N 3.08Å; P122-W126 PolarHBondContact O-N 3.38Å; P122-E218 HydrophobicContact CB-CG 4.43Å; P122-A247 HydrophobicContact CG-CB 4.24Å; P122-I294 HydrophobicContact CB-CD1 3.74Å
123P95.6Very high96.4Very high17 Ų1727 Ų2711%0.1114%0.139CC..Hα-helixtrans-57.3-41.6179.4-20.827.4000113.8L36 F121 A125 W126 S127 E292 I294L36-P123 HydrophobicContact CD1-CB 3.86Å; L36-P123 HydrophobicContact CG-CB 4.24Å; F121-P123 VanDerWaalsContact C-CD 3.42Å; F121-P123 VanDerWaalsContact C-N 3.34Å; P123-A125 VanDerWaalsContact C-N 3.3Å; P123-A125 PolarHBondContact O-N 2.78Å; P123-W126 PolarHBondContact O-N 3.37Å; P123-S127 PolarHBondContact O-N 3.13Å; P123-S127 VanDerWaalsContact O-N 3.14Å; P123-S127 PolarHBondContact O-OG 3.25Å; P123-E292 VanDerWaalsContact CG-OE1 3.25Å; P123-E292 WeakPolarHBondContact CG-OE1 3.38Å; P123-I294 HydrophobicContact CB-CD1 3.89Å; P123-I294 HydrophobicContact CG-CD1 3.4Å; P123-I294 VanDerWaalsContact CG-CD1 3.4Å; P123-I294 VanDerWaalsContact N-CD1 3.26Å
124A95.5Very high96.6Very high9 Ų927 Ų277%0.07414%0.139CC..Hα-helixtrans-68-32-178.800000112C113 F121 P122 S127 F128C113-A124 HydrophobicContact CB-CB 4.13Å; C113-A124 PolarHBondContact SG-O 3.22Å; C113-A124 VanDerWaalsContact SG-O 3.36Å; F121-A124 HydrophobicContact CB-CB 4.13Å; F121-A124 PolarHBondContact O-N 3.01Å; F121-A124 VanDerWaalsContact O-N 3.12Å; P122-A124 VanDerWaalsContact C-N 3.3Å; P122-A124 PolarHBondContact O-N 3.15Å; A124-S127 PolarHBondContact O-N 3.28Å; A124-F128 WeakPolarHBondContact O-CB 3.49Å; A124-F128 PolarHBondContact O-N 3.29Å
125A97.3Very high96.9Very high0 Ų026.2 Ų26.20%013%0.132CC..Hα-helixtrans-61.6-47.3176.200000111.9W77 A81 L106 C113 F121 P122 P123 F128 W129W77-A125 HydrophobicContact CE3-CB 4.02Å; W77-A125 HydrophobicContact CZ3-CB 4.03Å; A81-A125 HydrophobicContact CB-CB 3.86Å; L106-A125 HydrophobicContact CD1-CB 4.12Å; L106-A125 HydrophobicContact CD2-CB 3.84Å; L106-A125 HydrophobicContact CG-CB 4.48Å; C113-A125 VanDerWaalsContact SG-CA 3.6Å; C113-A125 PolarHBondContact SG-N 3.24Å; F121-A125 PolarHBondContact O-N 2.8Å; P122-A125 WeakPolarHBondContact O-CB 3.32Å; P122-A125 PolarHBondContact O-N 3.14Å; P122-A125 VanDerWaalsContact O-N 3.08Å; P123-A125 VanDerWaalsContact C-N 3.3Å; P123-A125 PolarHBondContact O-N 2.78Å; A125-F128 WeakPolarHBondContact O-CB 3.22Å; A125-F128 PolarHBondContact O-N 2.79Å; A125-W129 PolarHBondContact O-N 2.85Å
126W98Very high97Very high0 Ų019.7 Ų19.70%010%0.104CC..Hα-helixtrans-66-39.9177.3-72.285000112.1A84 I85 P122 P123 F128 W129 V130 E218 I294 A295 G296A84-W126 HydrophobicContact CB-CH2 3.85Å; A84-W126 HydrophobicContact CB-CZ2 3.78Å; I85-W126 HydrophobicContact CD1-CE3 4.43Å; I85-W126 HydrophobicContact CG1-CE3 4.05Å; I85-W126 HydrophobicContact CG1-CH2 3.88Å; I85-W126 HydrophobicContact CG1-CZ2 4.42Å; I85-W126 HydrophobicContact CG1-CZ3 3.66Å; P122-W126 PolarHBondContact O-N 3.38Å; P123-W126 PolarHBondContact O-N 3.37Å; W126-F128 VanDerWaalsContact C-N 3.34Å; W126-F128 PolarHBondContact O-N 3.2Å; W126-W129 AromaticContact CE3-CE3 3.87Å; W126-W129 HydrophobicContact CE3-CE3 3.87Å; W126-W129 AromaticContact CE3-CZ3 3.89Å; W126-W129 HydrophobicContact CE3-CZ3 3.89Å; W126-W129 HydrophobicContact CZ3-CE3 4.23Å; W126-W129 AromaticContact CZ3-CZ3 3.88Å; W126-W129 HydrophobicContact CZ3-CZ3 3.88Å; W126-W129 WeakPolarHBondContact O-CB 3.32Å; W126-W129 PolarHBondContact O-N 2.79Å; W126-V130 WeakPolarHBondContact O-CG2 3.41Å; W126-V130 PolarHBondContact O-N 3.2Å; W126-V130 VanDerWaalsContact O-N 3.17Å; W126-E218 HydrophobicContact CZ2-CB 4.04Å; W126-E218 PolarHBondContact NE1-OE2 2.99Å; W126-I294 HydrophobicContact CB-CG2 4.07Å; W126-I294 HydrophobicContact CD2-CG2 4.2Å; W126-I294 HydrophobicContact CG-CG2 3.61Å; W126-A295 VanDerWaalsContact CZ3-C 3.42Å; W126-G296 VanDerWaalsContact CE3-N 3.32Å
127S97.1Very high97.2Very high3 Ų319.6 Ų19.62%0.02110%0.103CC..Hα-helixtrans-62-40.2172.7-71.80000112.9E34 L36 P123 A124 W129 V130 K131E34-S127 WeakPolarHBondContact OE2-CB 3.49Å; E34-S127 PolarHBondContact OE2-OG 3.4Å; L36-S127 WeakPolarHBondContact CD2-OG 3.43Å; P123-S127 PolarHBondContact O-N 3.13Å; P123-S127 VanDerWaalsContact O-N 3.14Å; P123-S127 PolarHBondContact O-OG 3.25Å; A124-S127 PolarHBondContact O-N 3.28Å; S127-W129 VanDerWaalsContact C-N 3.34Å; S127-V130 PolarHBondContact O-N 3.23Å; S127-K131 WeakPolarHBondContact O-CB 3.35Å; S127-K131 WeakPolarHBondContact O-CG 3.39Å; S127-K131 PolarHBondContact O-N 2.93Å
128F97.8Very high97.1Very high14 Ų1419.7 Ų19.76%0.06110%0.104CC..Hα-helixtrans-63.6-40.6175.9-176.1-94.2000111.6L106 C109 C110 A124 A125 W126 V130 K131 N132 G133 L134L106-F128 HydrophobicContact CD1-CB 4.33Å; L106-F128 HydrophobicContact CD1-CD1 3.75Å; L106-F128 HydrophobicContact CD1-CE1 4.46Å; L106-F128 HydrophobicContact CD1-CG 4.3Å; C109-F128 HydrophobicContact CB-CZ 4.32Å; C110-F128 HydrophobicContact CB-CB 4.27Å; C110-F128 HydrophobicContact CB-CD1 4.05Å; C110-F128 HydrophobicContact CB-CD2 3.68Å; C110-F128 HydrophobicContact CB-CE1 4.29Å; C110-F128 HydrophobicContact CB-CE2 3.94Å; C110-F128 HydrophobicContact CB-CG 3.73Å; C110-F128 HydrophobicContact CB-CZ 4.23Å; C110-F128 WeakPolarHBondContact SG-CD2 3.13Å; A124-F128 WeakPolarHBondContact O-CB 3.49Å; A124-F128 PolarHBondContact O-N 3.29Å; A125-F128 WeakPolarHBondContact O-CB 3.22Å; A125-F128 PolarHBondContact O-N 2.79Å; W126-F128 VanDerWaalsContact C-N 3.34Å; W126-F128 PolarHBondContact O-N 3.2Å; F128-V130 VanDerWaalsContact C-N 3.29Å; F128-V130 PolarHBondContact O-N 3.5Å; F128-K131 PolarHBondContact O-N 2.93Å; F128-N132 HydrophobicContact CD1-CB 4.26Å; F128-N132 HydrophobicContact CD2-CB 3.96Å; F128-N132 HydrophobicContact CE1-CB 3.97Å; F128-N132 HydrophobicContact CE2-CB 3.66Å; F128-N132 HydrophobicContact CG-CB 4.26Å; F128-N132 HydrophobicContact CZ-CB 3.67Å; F128-N132 WeakPolarHBondContact O-CA 3.44Å; F128-N132 WeakPolarHBondContact O-CB 3.3Å; F128-N132 PolarHBondContact O-N 2.8Å; F128-G133 PolarHBondContact O-N 3.15Å; F128-L134 HydrophobicContact CD1-CD2 3.82Å; F128-L134 HydrophobicContact CD1-CG 4.48Å; F128-L134 HydrophobicContact CE1-CD2 3.66Å
129W98.6Very high97.1Very high0 Ų015.8 Ų15.80%08%0.083CC..Hα-helixtrans-59.8-38.1173.9171.557.6000112.8I85 A125 W126 S127 G133 L134 Y192 G194 L297 Y298I85-W129 HydrophobicContact CD1-CB 3.84Å; I85-W129 HydrophobicContact CD1-CD2 3.8Å; I85-W129 HydrophobicContact CD1-CE3 4.12Å; I85-W129 HydrophobicContact CD1-CG 3.69Å; I85-W129 HydrophobicContact CG1-CD2 3.99Å; I85-W129 HydrophobicContact CG1-CE3 4.07Å; I85-W129 HydrophobicContact CG1-CG 4.39Å; I85-W129 HydrophobicContact CG1-CZ3 4.36Å; I85-W129 HydrophobicContact CG2-CD2 4.08Å; I85-W129 HydrophobicContact CG2-CG 4.41Å; I85-W129 HydrophobicContact CG2-CH2 4.41Å; I85-W129 HydrophobicContact CG2-CZ2 3.71Å; A125-W129 PolarHBondContact O-N 2.85Å; W126-W129 AromaticContact CE3-CE3 3.87Å; W126-W129 HydrophobicContact CE3-CE3 3.87Å; W126-W129 AromaticContact CE3-CZ3 3.89Å; W126-W129 HydrophobicContact CE3-CZ3 3.89Å; W126-W129 HydrophobicContact CZ3-CE3 4.23Å; W126-W129 AromaticContact CZ3-CZ3 3.88Å; W126-W129 HydrophobicContact CZ3-CZ3 3.88Å; W126-W129 WeakPolarHBondContact O-CB 3.32Å; W126-W129 PolarHBondContact O-N 2.79Å; S127-W129 VanDerWaalsContact C-N 3.34Å; W129-G133 VanDerWaalsContact O-CA 3.26Å; W129-G133 WeakPolarHBondContact O-CA 3.38Å; W129-G133 PolarHBondContact O-N 2.87Å; W129-L134 HydrophobicContact CB-CD1 4.08Å; W129-L134 HydrophobicContact CB-CG 4.47Å; W129-L134 HydrophobicContact CG-CD1 4.44Å; W129-Y192 VanDerWaalsContact CD1-O 3.3Å; W129-Y192 PolarHBondContact NE1-O 2.8Å; W129-G194 VanDerWaalsContact CD2-CA 3.46Å; W129-G194 VanDerWaalsContact CZ2-CA 3.45Å; W129-G194 PolarHBondContact O-N 3.14Å; W129-G194 VanDerWaalsContact O-N 3.1Å; W129-L297 VanDerWaalsContact CH2-C 3.48Å; W129-L297 WeakPolarHBondContact CH2-O 3.49Å; W129-Y298 HydrophobicContact CZ2-CD2 4.1Å
130V97.9Very high97.1Very high34 Ų3419.8 Ų19.821%0.20610%0.098CC..Hα-helixtrans-68.7-49.6175.4175.90000111.4W126 S127 F128W126-V130 WeakPolarHBondContact O-CG2 3.41Å; W126-V130 PolarHBondContact O-N 3.2Å; W126-V130 VanDerWaalsContact O-N 3.17Å; S127-V130 PolarHBondContact O-N 3.23Å; F128-V130 VanDerWaalsContact C-N 3.29Å; F128-V130 PolarHBondContact O-N 3.5Å
131K97.4Very high96.9Very high111 Ų11124.3 Ų24.348%0.48313%0.125SC..Hα-helixtrans-74.9-45.1-172.7-70.8172.8178.8170.80113.2E34 S127 F128E34-K131 WeakPolarHBondContact OE1-CE 3.35Å; E34-K131 IonicContact OE1-NZ 2.6Å; E34-K131 PolarHBondContact OE1-NZ 3.22Å; E34-K131 IonicContact OE2-NZ 2.77Å; E34-K131 PolarHBondContact OE2-NZ 2.95Å; S127-K131 WeakPolarHBondContact O-CB 3.35Å; S127-K131 WeakPolarHBondContact O-CG 3.39Å; S127-K131 PolarHBondContact O-N 2.93Å; F128-K131 PolarHBondContact O-N 2.93Å
132N98.2Very high96.7Very high74 Ų7428.3 Ų28.340%0.39614%0.143SC..THydrogen-bonded Turntrans-112.1-23.5-168-62.877.2000112.7F128 Y193F128-N132 HydrophobicContact CD1-CB 4.26Å; F128-N132 HydrophobicContact CD2-CB 3.96Å; F128-N132 HydrophobicContact CE1-CB 3.97Å; F128-N132 HydrophobicContact CE2-CB 3.66Å; F128-N132 HydrophobicContact CG-CB 4.26Å; F128-N132 HydrophobicContact CZ-CB 3.67Å; F128-N132 WeakPolarHBondContact O-CA 3.44Å; F128-N132 WeakPolarHBondContact O-CB 3.3Å; F128-N132 PolarHBondContact O-N 2.8Å; N132-Y193 VanDerWaalsContact O-CE1 3.24Å; N132-Y193 WeakPolarHBondContact O-CE1 3.34Å
133G98.4Very high96.4Very high0 Ų033 Ų330%016%0.164CC..  trans69.7167.6-171.700000112.7F128 W129 K191 Y192F128-G133 PolarHBondContact O-N 3.15Å; W129-G133 VanDerWaalsContact O-CA 3.26Å; W129-G133 WeakPolarHBondContact O-CA 3.38Å; W129-G133 PolarHBondContact O-N 2.87Å; G133-K191 VanDerWaalsContact C-CD 3.41Å; G133-K191 WeakPolarHBondContact O-CD 3.25Å; G133-K191 PolarHBondContact O-NZ 3.33Å; G133-Y192 CarbonylContact C-O 3.6Å; G133-Y192 WeakPolarHBondContact CA-O 3.01Å
134L98.8Very high96.3Very high0 Ų034.5 Ų34.50%017%0.171CC..BIsolated β-bridgetrans-130.5141.2-179.8-67.3171.2000110.7V82 I85 I101 D105 L106 F128 W129 K191 Y192V82-L134 HydrophobicContact CG1-CD1 4.02Å; I85-L134 HydrophobicContact CD1-CD1 4.15Å; I101-L134 HydrophobicContact CG2-CB 3.5Å; I101-L134 VanDerWaalsContact CG2-CB 3.5Å; I101-L134 HydrophobicContact CG2-CD1 3.73Å; I101-L134 HydrophobicContact CG2-CG 4.25Å; D105-L134 HydrophobicContact CB-CD2 4.41Å; D105-L134 WeakPolarHBondContact OD2-CA 3.31Å; L106-L134 HydrophobicContact CB-CD1 4.2Å; L106-L134 HydrophobicContact CB-CD2 3.66Å; L106-L134 HydrophobicContact CD1-CD1 4.41Å; L106-L134 HydrophobicContact CD1-CD2 4.15Å; L106-L134 HydrophobicContact CD2-CD1 4.38Å; L106-L134 HydrophobicContact CG-CD2 4.47Å; F128-L134 HydrophobicContact CD1-CD2 3.82Å; F128-L134 HydrophobicContact CD1-CG 4.48Å; F128-L134 HydrophobicContact CE1-CD2 3.66Å; W129-L134 HydrophobicContact CB-CD1 4.08Å; W129-L134 HydrophobicContact CB-CG 4.47Å; W129-L134 HydrophobicContact CG-CD1 4.44Å; L134-K191 WeakPolarHBondContact O-CA 3.39Å; L134-Y192 PolarHBondContact N-O 3.26Å; L134-Y192 PolarHBondContact O-N 3.18Å
135V98.8Very high96.4Very high0 Ų034.7 Ų34.70%017%0.174CC..  trans-83.6170.7175.6-57.20000111.2S102 D105 C146 R147 Y187 D190 K191S102-V135 VanDerWaalsContact CB-O 3.32Å; S102-V135 WeakPolarHBondContact CB-O 3.39Å; S102-V135 PolarHBondContact N-O 2.81Å; D105-V135 HydrophobicContact CB-CG2 3.77Å; D105-V135 PolarHBondContact OD2-N 3.4Å; V135-C146 HydrophobicContact CB-CB 3.87Å; V135-C146 HydrophobicContact CG2-CB 3.81Å; V135-R147 HydrophobicContact CG2-CB 3.9Å; V135-R147 HydrophobicContact CG2-CG 3.66Å; V135-Y187 HydrophobicContact CG1-CD2 3.59Å; V135-Y187 HydrophobicContact CG1-CE2 3.6Å; V135-Y187 HydrophobicContact CG1-CG 4.2Å; V135-Y187 WeakPolarHBondContact CG1-O 3.13Å; V135-Y187 HydrophobicContact CG2-CD2 4.28Å; V135-Y187 HydrophobicContact CG2-CE2 4.1Å; V135-D190 HydrophobicContact CB-CB 4.29Å; V135-D190 WeakPolarHBondContact CB-OD2 2.9Å; V135-D190 HydrophobicContact CG1-CB 4.22Å; V135-K191 HydrophobicContact CG1-CD 3.69Å; V135-K191 HydrophobicContact CG1-CG 3.93Å
136T98.8Very high96.5Very high10 Ų1034.7 Ų34.76%0.06117%0.174CC..BIsolated β-bridgetrans-73.1153.9172.162.20000112.1P99 H100 G145 C146 R147 Y183 D190 Y192P99-T136 HydrophobicContact CB-CG2 4.04Å; H100-T136 CarbonylContact O-C 3.52Å; H100-T136 WeakPolarHBondContact O-CA 3.12Å; T136-G145 VanDerWaalsContact OG1-CA 3.25Å; T136-G145 WeakPolarHBondContact OG1-CA 3.33Å; T136-C146 WeakPolarHBondContact O-CA 3.09Å; T136-C146 WeakPolarHBondContact O-CB 3.25Å; T136-C146 PolarHBondContact O-N 3.11Å; T136-C146 PolarHBondContact OG1-N 3.33Å; T136-R147 PolarHBondContact O-N 3.23Å; T136-Y183 PolarHBondContact OG1-OH 2.74Å; T136-D190 WeakPolarHBondContact CB-OD2 3.49Å; T136-D190 WeakPolarHBondContact CG2-OD2 3.2Å; T136-D190 PolarHBondContact N-OD2 2.96Å; T136-D190 PolarHBondContact OG1-OD2 3.17Å; T136-Y192 HydrophobicContact CG2-CD2 4.32Å; T136-Y192 HydrophobicContact CG2-CE2 3.66Å
137G98.5Very high96.5Very high1 Ų136.1 Ų36.11%0.0118%0.18CC..  trans171.1113177.500000110.5H100 I101 S102 D144 R147H100-G137 PolarHBondContact O-N 3.48Å; I101-G137 CarbonylContact C-O 3.57Å; S102-G137 WeakPolarHBondContact CA-O 3.34Å; G137-D144 WeakPolarHBondContact CA-O 3.23Å; G137-R147 VanDerWaalsContact CA-O 3.32Å; G137-R147 WeakPolarHBondContact CA-O 3.34Å
138G96.5Very high96.5Very high2 Ų237 Ų372%0.02119%0.185CC..  trans-90.5-160.3177.900000113.2D144 Y149G138-D144 WeakPolarHBondContact CA-OD1 3.2Å; G138-D144 PolarHBondContact N-O 3.36Å; G138-D144 VanDerWaalsContact N-O 3.12Å; G138-D144 PolarHBondContact N-OD1 3.43Å; G138-Y149 PolarHBondContact O-N 3.01Å
139N95Very high96.6Very high27 Ų2736.7 Ų36.714%0.14418%0.184CC..  trans-65.8160-178.3-66-13.8000111.4R68 T141 K142 H143R68-N139 WeakPolarHBondContact CD-OD1 3.35Å; R68-N139 VanDerWaalsContact CG-OD1 3.32Å; R68-N139 WeakPolarHBondContact CG-OD1 3.34Å; N139-T141 VanDerWaalsContact C-N 3.28Å; N139-T141 PolarHBondContact O-N 3Å; N139-K142 PolarHBondContact O-N 3.06Å; N139-H143 PolarHBondContact O-N 2.76Å
140Y94.9Very high96.5Very high87 Ų8739.2 Ų39.234%0.34120%0.2SC..G310 helixtrans-49.3-47.7178.2176-94000112.9K142 H143 Y149 P150 F151 P152Y140-K142 VanDerWaalsContact C-N 3.34Å; Y140-K142 PolarHBondContact O-N 3.08Å; Y140-H143 PolarHBondContact O-CD2 3.4Å; Y140-H143 PolarHBondContact O-CE1 3.09Å; Y140-H143 PolarHBondContact O-N 3.45Å; Y140-H143 PolarHBondContact O-ND1 2.93Å; Y140-H143 VanDerWaalsContact O-ND1 3.11Å; Y140-H143 PolarHBondContact O-NE2 2.78Å; Y140-Y149 WeakPolarHBondContact CA-O 3.38Å; Y140-P150 WeakPolarHBondContact CD2-O 3.26Å; Y140-P150 WeakPolarHBondContact CE2-O 3.4Å; Y140-F151 WeakPolarHBondContact CB-O 3.37Å; Y140-P152 HydrophobicContact CD1-CB 3.99Å; Y140-P152 HydrophobicContact CE1-CB 3.8Å; Y140-P152 HydrophobicContact CE2-CB 4.44Å; Y140-P152 HydrophobicContact CG-CB 4.39Å
141T90.7Very high96.4Very high95 Ų9538.5 Ų38.558%0.58319%0.194SC*.G310 helixtrans-68.3-27.5-173.654.40000114.6N139 P153N139-T141 VanDerWaalsContact C-N 3.28Å; N139-T141 PolarHBondContact O-N 3Å; T141-P153 HydrophobicContact CG2-CG 4.2Å
142K91.2Very high96.3Very high107 Ų10736 Ų3647%0.46519%0.189SC..G310 helixtrans-83.1-26.9-179.3-71.2-178.5-179.8165.80112.5E66 N139 Y140 D144E66-K142 IonicContact OE1-NZ 3.99Å; E66-K142 PolarHBondContact OE1-NZ 3.04Å; N139-K142 PolarHBondContact O-N 3.06Å; Y140-K142 VanDerWaalsContact C-N 3.34Å; Y140-K142 PolarHBondContact O-N 3.08Å; K142-D144 HydrophobicContact CB-CB 4.26Å; K142-D144 WeakPolarHBondContact CB-OD1 3.18Å; K142-D144 PolarHBondContact O-N 2.98Å; K142-D144 VanDerWaalsContact O-N 3.11Å
143H90.1Very high96.2Very high102 Ų10234.2 Ų34.247%0.47218%0.182SC..  trans47.336.1-173.1-60.7-68.5000113.3N139 Y140 Q180N139-H143 PolarHBondContact O-N 2.76Å; Y140-H143 PolarHBondContact O-CD2 3.4Å; Y140-H143 PolarHBondContact O-CE1 3.09Å; Y140-H143 PolarHBondContact O-N 3.45Å; Y140-H143 PolarHBondContact O-ND1 2.93Å; Y140-H143 VanDerWaalsContact O-ND1 3.11Å; Y140-H143 PolarHBondContact O-NE2 2.78Å; H143-Q180 PolarHBondContact O-NE2 3.16Å
144D93.3Very high95.8Very high48 Ų4834.6 Ų34.626%0.25718%0.184SC..  trans-99.8157.6-175.661.9-17000112.9H100 G137 G138 K142H100-D144 IonicContact ND1-OD2 2.83Å; G137-D144 WeakPolarHBondContact CA-O 3.23Å; G138-D144 WeakPolarHBondContact CA-OD1 3.2Å; G138-D144 PolarHBondContact N-O 3.36Å; G138-D144 VanDerWaalsContact N-O 3.12Å; G138-D144 PolarHBondContact N-OD1 3.43Å; K142-D144 HydrophobicContact CB-CB 4.26Å; K142-D144 WeakPolarHBondContact CB-OD1 3.18Å; K142-D144 PolarHBondContact O-N 2.98Å; K142-D144 VanDerWaalsContact O-N 3.11Å
145G97.8Very high95.2Very high13 Ų1335.3 Ų35.313%0.13419%0.188CC..SBendtrans79-171.3-17800000114.6T136 Q180 Y183T136-G145 VanDerWaalsContact OG1-CA 3.25Å; T136-G145 WeakPolarHBondContact OG1-CA 3.33Å; G145-Q180 PolarHBondContact O-NE2 3.46Å; G145-Y183 WeakPolarHBondContact O-CD2 3.35Å
146C98.6Very high94.4Very high0 Ų035.3 Ų35.30%019%0.188CC..SBendtrans-71.1-45.4-178.2176.70000112.9V135 T136 C179 Q180 Y183 D190V135-C146 HydrophobicContact CB-CB 3.87Å; V135-C146 HydrophobicContact CG2-CB 3.81Å; T136-C146 WeakPolarHBondContact O-CA 3.09Å; T136-C146 WeakPolarHBondContact O-CB 3.25Å; T136-C146 PolarHBondContact O-N 3.11Å; T136-C146 PolarHBondContact OG1-N 3.33Å; C146-C179 HydrophobicContact CB-CB 3.83Å; C146-C179 WeakPolarHBondContact CB-SG 3.18Å; C146-C179 CarbonylContact O-C 3.23Å; C146-C179 VanDerWaalsContact O-CA 3.24Å; C146-C179 WeakPolarHBondContact O-CA 3.43Å; C146-C179 WeakPolarHBondContact SG-CA 3.44Å; C146-C179 WeakPolarHBondContact SG-CB 3.4Å; C146-C179 CovalentContact SG-SG 2.03Å; C146-C179 PolarHBondContact SG-SG 3.04Å; C146-Q180 PolarHBondContact O-N 3.23Å; C146-Y183 HydrophobicContact CB-CD1 3.79Å; C146-Y183 HydrophobicContact CB-CE1 3.77Å; C146-D190 HydrophobicContact CB-CB 4.41Å; C146-D190 VanDerWaalsContact CB-OD2 3.26Å; C146-D190 WeakPolarHBondContact CB-OD2 3.23Å
147R98.2Very high93.3Very high31 Ų3136.5 Ų36.512%0.11719%0.193CC..SBendtrans-133.773.9-173.2-69.8-80.1-72.9162.3-5.9110.1S102 D105 S108 V135 T136 G137 A174 S178S102-R147 WeakPolarHBondContact CB-O 3.23Å; S102-R147 VanDerWaalsContact OG-CB 3.29Å; S102-R147 WeakPolarHBondContact OG-CB 3.32Å; S102-R147 PolarHBondContact OG-O 3.26Å; D105-R147 HydrophobicContact CB-CB 4.49Å; S108-R147 PolarHBondContact OG-NH2 3.03Å; V135-R147 HydrophobicContact CG2-CB 3.9Å; V135-R147 HydrophobicContact CG2-CG 3.66Å; T136-R147 PolarHBondContact O-N 3.23Å; G137-R147 VanDerWaalsContact CA-O 3.32Å; G137-R147 WeakPolarHBondContact CA-O 3.34Å; R147-A174 PolarHBondContact NH2-O 3.22Å; R147-S178 WeakPolarHBondContact CD-O 3.42Å
148P98.2Very high91.7Very high21 Ų2140 Ų4014%0.13621%0.21CC..  trans-61158.117726.8-35.1000111.9T104T104-P148 PolarHBondContact OG1-O 3.11Å
149Y98.3Very high90.4Very high8 Ų846.6 Ų46.63%0.03125%0.245CC..  trans-62.5131.2178.7-157.5-116.3000111.6Q70 S75 F79 A103 T104 L107 G138 Y140 F151Q70-Y149 PolarHBondContact O-OH 2.65Å; S75-Y149 PolarHBondContact OG-OH 2.83Å; F79-Y149 HydrophobicContact CE2-CD2 4.02Å; F79-Y149 HydrophobicContact CE2-CE1 4.18Å; F79-Y149 AromaticContact CE2-CE2 3.33Å; F79-Y149 HydrophobicContact CE2-CE2 3.33Å; F79-Y149 AromaticContact CE2-CZ 3.41Å; F79-Y149 VanDerWaalsContact CE2-CZ 3.41Å; F79-Y149 WeakPolarHBondContact CE2-OH 3.36Å; F79-Y149 HydrophobicContact CZ-CD1 4.04Å; F79-Y149 AromaticContact CZ-CD2 3.79Å; F79-Y149 HydrophobicContact CZ-CD2 3.79Å; F79-Y149 AromaticContact CZ-CE1 3.72Å; F79-Y149 HydrophobicContact CZ-CE1 3.72Å; F79-Y149 AromaticContact CZ-CE2 3.49Å; F79-Y149 HydrophobicContact CZ-CE2 3.49Å; F79-Y149 VanDerWaalsContact CZ-CE2 3.49Å; F79-Y149 HydrophobicContact CZ-CG 4.06Å; F79-Y149 AromaticContact CZ-CZ 3.43Å; F79-Y149 VanDerWaalsContact CZ-CZ 3.43Å; A103-Y149 HydrophobicContact CB-CD2 3.96Å; A103-Y149 HydrophobicContact CB-CE2 4.12Å; T104-Y149 WeakPolarHBondContact OG1-CA 3.41Å; L107-Y149 HydrophobicContact CD2-CE2 4.43Å; G138-Y149 PolarHBondContact O-N 3.01Å; Y140-Y149 WeakPolarHBondContact CA-O 3.38Å; Y149-F151 HydrophobicContact CD1-CB 4.23Å; Y149-F151 HydrophobicContact CD1-CD2 4.48Å; Y149-F151 WeakPolarHBondContact CD1-O 3.46Å; Y149-F151 HydrophobicContact CE1-CB 3.82Å; Y149-F151 AromaticContact CE1-CD2 3.66Å; Y149-F151 HydrophobicContact CE1-CD2 3.66Å; Y149-F151 HydrophobicContact CE1-CG 4.19Å; Y149-F151 HydrophobicContact CE2-CD2 4.29Å; Y149-F151 AromaticContact CZ-CD2 3.55Å; Y149-F151 WeakPolarHBondContact OH-CD2 3.37Å
150P97Very high89.6Confident53 Ų5346.2 Ų46.234%0.34425%0.247SC..  trans-86.9-14.1-169.834.2-37.7000114T104 Y140 P173T104-P150 HydrophobicContact CG2-CG 4.28Å; T104-P150 WeakPolarHBondContact OG1-CD 3.37Å; Y140-P150 WeakPolarHBondContact CD2-O 3.26Å; Y140-P150 WeakPolarHBondContact CE2-O 3.4Å; P150-P173 HydrophobicContact CG-CG 3.74Å
151F96.7Very high89.2Confident18 Ų1847.7 Ų47.78%0.07927%0.265CS..SBendtrans-104.4133.6-173.6-48.4-54000110.8C73 Y140 Y149 E170 P171 P173C73-F151 HydrophobicContact CB-CD2 4.01Å; C73-F151 HydrophobicContact CB-CE2 3.97Å; Y140-F151 WeakPolarHBondContact CB-O 3.37Å; Y149-F151 HydrophobicContact CD1-CB 4.23Å; Y149-F151 HydrophobicContact CD1-CD2 4.48Å; Y149-F151 WeakPolarHBondContact CD1-O 3.46Å; Y149-F151 HydrophobicContact CE1-CB 3.82Å; Y149-F151 AromaticContact CE1-CD2 3.66Å; Y149-F151 HydrophobicContact CE1-CD2 3.66Å; Y149-F151 HydrophobicContact CE1-CG 4.19Å; Y149-F151 HydrophobicContact CE2-CD2 4.29Å; Y149-F151 AromaticContact CZ-CD2 3.55Å; Y149-F151 WeakPolarHBondContact OH-CD2 3.37Å; F151-E170 HydrophobicContact CB-CG 4.3Å; F151-E170 HydrophobicContact CD1-CB 3.92Å; F151-E170 HydrophobicContact CD1-CG 3.55Å; F151-E170 HydrophobicContact CD2-CB 4.15Å; F151-E170 HydrophobicContact CD2-CG 4.1Å; F151-E170 HydrophobicContact CE1-CB 3.6Å; F151-E170 HydrophobicContact CE1-CG 3.78Å; F151-E170 HydrophobicContact CE2-CB 3.87Å; F151-E170 HydrophobicContact CE2-CG 4.31Å; F151-E170 HydrophobicContact CG-CB 4.19Å; F151-E170 HydrophobicContact CG-CG 3.73Å; F151-E170 HydrophobicContact CZ-CB 3.57Å; F151-E170 HydrophobicContact CZ-CG 4.15Å; F151-P171 WeakPolarHBondContact CZ-O 3.49Å; F151-P173 HydrophobicContact CE1-CG 4.4Å; F151-P173 HydrophobicContact CE2-CG 4.09Å; F151-P173 HydrophobicContact CZ-CG 3.57Å
152P95.3Very high89Confident59 Ų5946.7 Ų46.738%0.38326%0.256SS..  trans-64.6151178.229.7-35000111.1S71 Y140S71-P152 WeakPolarHBondContact CB-O 3.4Å; S71-P152 PolarHBondContact OG-O 2.85Å; Y140-P152 HydrophobicContact CD1-CB 3.99Å; Y140-P152 HydrophobicContact CE1-CB 3.8Å; Y140-P152 HydrophobicContact CE2-CB 4.44Å; Y140-P152 HydrophobicContact CG-CB 4.39Å
153P94.3Very high88.6Confident36 Ų3642.9 Ų42.923%0.23425%0.247CC..  trans-66.1156.1169.734.1-37.7000110.4D69 T141 L162D69-P153 HydrophobicContact CB-CB 3.84Å; D69-P153 VanDerWaalsContact OD2-CA 3.23Å; D69-P153 WeakPolarHBondContact OD2-CA 3.1Å; D69-P153 WeakPolarHBondContact OD2-CB 3.39Å; T141-P153 HydrophobicContact CG2-CG 4.2Å; P153-L162 HydrophobicContact CB-CD1 4.05Å; P153-L162 HydrophobicContact CG-CD2 4.18Å
154C91.1Very high88.3Confident8 Ų843.2 Ų43.25%0.05426%0.258CS..  trans-152.1162.8-177.661.80000111.8D69 H156 C165 N269D69-C154 PolarHBondContact OD2-N 2.8Å; D69-C154 VanDerWaalsContact OD2-N 3.09Å; C154-H156 PolarHBondContact O-CD2 3.12Å; C154-H156 PolarHBondContact O-N 3.22Å; C154-C165 HydrophobicContact CB-CB 3.74Å; C154-C165 WeakPolarHBondContact CB-SG 3.37Å; C154-C165 VanDerWaalsContact SG-CA 3.57Å; C154-C165 WeakPolarHBondContact SG-CB 3.32Å; C154-C165 CovalentContact SG-SG 2.03Å; C154-C165 PolarHBondContact SG-SG 2.95Å; C154-N269 PolarHBondContact O-ND2 2.87Å
155D86.3Confident87.9Confident15 Ų1541.1 Ų41.18%0.0825%0.247CC..BIsolated β-bridgetrans-72.6111.5-174.8-67.2-22.5000111.4Y9 H157 G160 T161 L162 G163 C165Y9-D155 WeakPolarHBondContact CD2-O 3.45Å; D155-H157 VanDerWaalsContact C-N 3.3Å; D155-G160 VanDerWaalsContact OD1-CA 3.27Å; D155-G160 WeakPolarHBondContact OD1-CA 3.34Å; D155-T161 PolarHBondContact OD1-N 2.82Å; D155-L162 WeakPolarHBondContact OD1-CA 3.2Å; D155-L162 VanDerWaalsContact OD1-CB 3.26Å; D155-L162 WeakPolarHBondContact OD1-CB 3.38Å; D155-L162 PolarHBondContact OD1-N 3.17Å; D155-G163 WeakPolarHBondContact CB-O 3.13Å; D155-G163 VanDerWaalsContact CG-N 3.27Å; D155-G163 VanDerWaalsContact CG-O 3.27Å; D155-G163 PolarHBondContact N-O 3.32Å; D155-G163 PolarHBondContact OD1-N 2.76Å; D155-G163 VanDerWaalsContact OD2-C 3.23Å; D155-G163 WeakPolarHBondContact OD2-CA 3.4Å; D155-G163 PolarHBondContact OD2-N 2.95Å; D155-C165 PolarHBondContact O-SG 2.88Å
156H82.8Confident87.3Confident0 Ų043.2 Ų43.20%026%0.26CS..SBendtrans-93.915.2169.3-61.4-83.4000112.7N7 D69 C154 W268N7-H156 PolarHBondContact ND2-O 2.88Å; D69-H156 IonicContact OD1-CD2 3.99Å; D69-H156 IonicContact OD1-NE2 3.16Å; D69-H156 PolarHBondContact OD1-NE2 3.39Å; D69-H156 IonicContact OD2-NE2 3.96Å; C154-H156 PolarHBondContact O-CD2 3.12Å; C154-H156 PolarHBondContact O-N 3.22Å; H156-W268 HydrophobicContact CB-CB 3.86Å; H156-W268 HydrophobicContact CB-CG 4.28Å; H156-W268 AromaticContact CG-CG 3.94Å
157H74.9Confident86.6Confident35 Ų3547.9 Ų47.916%0.16228%0.282CS..SBendtrans-156157-178.770.5-54.7000109.5N7 D155 N159 G160 E271N7-H157 WeakPolarHBondContact OD1-CA 3.47Å; D155-H157 VanDerWaalsContact C-N 3.3Å; H157-N159 PolarHBondContact O-N 2.99Å; H157-G160 WeakPolarHBondContact CE1-CA 3.47Å; H157-G160 WeakPolarHBondContact NE2-CA 3.5Å; H157-G160 PolarHBondContact NE2-N 3.3Å; H157-G160 VanDerWaalsContact NE2-N 3.18Å; H157-E271 PolarHBondContact CD2-O 2.8Å; H157-E271 WeakPolarHBondContact CE1-CB 3.01Å; H157-E271 IonicContact CE1-OE2 2.76Å; H157-E271 PolarHBondContact CE1-OE2 3.25Å; H157-E271 VanDerWaalsContact NE2-CB 3.33Å; H157-E271 WeakPolarHBondContact NE2-CB 3.4Å; H157-E271 PolarHBondContact NE2-O 3.26Å; H157-E271 IonicContact NE2-OE2 3.33Å
158M65.3Low86.3Confident76 Ų7651.4 Ų51.437%0.37430%0.303SS..THydrogen-bonded Turntrans-59-45.6-168.7-83-141-119.900116.7R6 A8 G160R6-M158 HydrophobicContact CB-CE 3.45Å; R6-M158 VanDerWaalsContact CB-CE 3.45Å; R6-M158 VanDerWaalsContact CD-CE 3.49Å; R6-M158 HydrophobicContact CG-CE 3.39Å; R6-M158 WeakPolarHBondContact O-CE 3.22Å; A8-M158 HydrophobicContact CB-CE 3.55Å; A8-M158 HydrophobicContact CB-CG 3.42Å; A8-M158 VanDerWaalsContact CB-CG 3.42Å; A8-M158 HydrophobicContact CB-SD 3.12Å; A8-M158 WeakPolarHBondContact CB-SD 3.19Å; M158-G160 VanDerWaalsContact C-N 3.28Å; M158-G160 PolarHBondContact O-N 3.1Å
159N69.6Low85.9Confident139 Ų13952.3 Ų52.374%0.74331%0.307SS*.THydrogen-bonded Turntrans-102.332.3-164.7-68.1-20.3000111.2H157H157-N159 PolarHBondContact O-N 2.99Å
160G77.1Confident85.8Confident19 Ų1954.4 Ų54.420%0.19632%0.316CS..  trans-74.3166.1-179.800000112.9D155 H157 M158 E271D155-G160 VanDerWaalsContact OD1-CA 3.27Å; D155-G160 WeakPolarHBondContact OD1-CA 3.34Å; H157-G160 WeakPolarHBondContact CE1-CA 3.47Å; H157-G160 WeakPolarHBondContact NE2-CA 3.5Å; H157-G160 PolarHBondContact NE2-N 3.3Å; H157-G160 VanDerWaalsContact NE2-N 3.18Å; M158-G160 VanDerWaalsContact C-N 3.28Å; M158-G160 PolarHBondContact O-N 3.1Å; G160-E271 WeakPolarHBondContact CA-OE2 3.41Å
161T87Confident85.7Confident118 Ų11856.3 Ų56.372%0.72433%0.329SS*.SBendtrans-108.9-2.5-179.868.40000112.9D155 E271D155-T161 PolarHBondContact OD1-N 2.82Å; T161-E271 WeakPolarHBondContact CB-OE1 3.49Å; T161-E271 PolarHBondContact N-OE1 3.08Å; T161-E271 PolarHBondContact N-OE2 2.83Å; T161-E271 PolarHBondContact OG1-OE1 3.02Å
162L86.4Confident85.8Confident74 Ų7457.6 Ų57.639%0.38734%0.338SS..SBendtrans-91.3-15.2-173.4-56.6166.6000112.7P153 D155 N269P153-L162 HydrophobicContact CB-CD1 4.05Å; P153-L162 HydrophobicContact CG-CD2 4.18Å; D155-L162 WeakPolarHBondContact OD1-CA 3.2Å; D155-L162 VanDerWaalsContact OD1-CB 3.26Å; D155-L162 WeakPolarHBondContact OD1-CB 3.38Å; D155-L162 PolarHBondContact OD1-N 3.17Å; L162-N269 HydrophobicContact CD1-CB 4.18Å; L162-N269 WeakPolarHBondContact CD1-ND2 3.25Å
163G83.5Confident85.9Confident27 Ų2756 Ų5628%0.27833%0.328SS..  trans87.9158.6-174.700000112.1D155D155-G163 WeakPolarHBondContact CB-O 3.13Å; D155-G163 VanDerWaalsContact CG-N 3.27Å; D155-G163 VanDerWaalsContact CG-O 3.27Å; D155-G163 PolarHBondContact N-O 3.32Å; D155-G163 PolarHBondContact OD1-N 2.76Å; D155-G163 VanDerWaalsContact OD2-C 3.23Å; D155-G163 WeakPolarHBondContact OD2-CA 3.4Å; D155-G163 PolarHBondContact OD2-N 2.95Å
164P82.7Confident86.1Confident109 Ų10957.5 Ų57.571%0.70834%0.344SS*.BIsolated β-bridgetrans-63142.8-173.127.4-35.3000111.6
165C85.2Confident86.4Confident4 Ų459.4 Ų59.43%0.02736%0.356CS..PPolyproline II helixtrans-64.6157167.2-53.50000110.8Y9 N72 C154 D155Y9-C165 HydrophobicContact CE2-CB 3.54Å; Y9-C165 WeakPolarHBondContact OH-CB 3.5Å; N72-C165 HydrophobicContact CB-CB 4.33Å; C154-C165 HydrophobicContact CB-CB 3.74Å; C154-C165 WeakPolarHBondContact CB-SG 3.37Å; C154-C165 VanDerWaalsContact SG-CA 3.57Å; C154-C165 WeakPolarHBondContact SG-CB 3.32Å; C154-C165 CovalentContact SG-SG 2.03Å; C154-C165 PolarHBondContact SG-SG 2.95Å; D155-C165 PolarHBondContact O-SG 2.88Å
166S85.1Confident86.9Confident58 Ų5864.4 Ų64.441%0.40638%0.377SS..PPolyproline II helixtrans-60.5152.2175.5-170.60000112N72 D168N72-S166 WeakPolarHBondContact ND2-CB 3.34Å; S166-D168 WeakPolarHBondContact CB-O 3.31Å; S166-D168 PolarHBondContact O-N 2.62Å; S166-D168 PolarHBondContact OG-N 3.32Å
167H84.6Confident87.7Confident97 Ų9770.9 Ų70.945%0.44941%0.408SS..SBendtrans-79.35172.9-72-129.9000113P14 V17P14-H167 HydrophobicContact CG-CB 4.33Å; V17-H167 WeakPolarHBondContact CG2-O 3.41Å
168D90.1Very high88.8Confident105 Ų10572.3 Ų72.356%0.56142%0.422SS*.SBendtrans-128.6153.1173.5-70-52.1000110.1N72 S166N72-D168 PolarHBondContact ND2-O 2.95Å; S166-D168 WeakPolarHBondContact CB-O 3.31Å; S166-D168 PolarHBondContact O-N 2.62Å; S166-D168 PolarHBondContact OG-N 3.32Å
169L91.2Very high90.3Very high41 Ų4170 Ų7022%0.21541%0.412CS..PPolyproline II helixtrans-75.1143.6172.6-64.3168.2000111.3V17 M21 N72V17-L169 HydrophobicContact CG1-CD2 4.15Å; M21-L169 HydrophobicContact CG-CD2 4.43Å; N72-L169 CarbonylContact O-C 3.59Å; N72-L169 VanDerWaalsContact O-CA 3.25Å; N72-L169 WeakPolarHBondContact O-CA 2.95Å; N72-L169 WeakPolarHBondContact O-CD2 3.13Å
170E95.1Very high91.7Very high51 Ų5165.8 Ų65.824%0.23839%0.388CS..PPolyproline II helixtrans-64140.8172.3-66.9-60.9147.900111.6N72 C73 C117 F151N72-E170 WeakPolarHBondContact ND2-CG 3.43Å; N72-E170 PolarHBondContact ND2-OE1 3.36Å; N72-E170 PolarHBondContact O-N 3.5Å; N72-E170 WeakPolarHBondContact OD1-CG 3.36Å; N72-E170 PolarHBondContact OD1-OE1 2.89Å; C73-E170 HydrophobicContact CB-CB 4.14Å; C117-E170 WeakPolarHBondContact CB-O 3.35Å; C117-E170 PolarHBondContact SG-O 3.01Å; F151-E170 HydrophobicContact CB-CG 4.3Å; F151-E170 HydrophobicContact CD1-CB 3.92Å; F151-E170 HydrophobicContact CD1-CG 3.55Å; F151-E170 HydrophobicContact CD2-CB 4.15Å; F151-E170 HydrophobicContact CD2-CG 4.1Å; F151-E170 HydrophobicContact CE1-CB 3.6Å; F151-E170 HydrophobicContact CE1-CG 3.78Å; F151-E170 HydrophobicContact CE2-CB 3.87Å; F151-E170 HydrophobicContact CE2-CG 4.31Å; F151-E170 HydrophobicContact CG-CB 4.19Å; F151-E170 HydrophobicContact CG-CG 3.73Å; F151-E170 HydrophobicContact CZ-CB 3.57Å; F151-E170 HydrophobicContact CZ-CG 4.15Å
171P96.2Very high92.6Very high93 Ų9370.5 Ų70.560%0.60442%0.418SS*.PPolyproline II helixtrans-71.8141.9173.130.7-34.1000110.6F151 P173F151-P171 WeakPolarHBondContact CZ-O 3.49Å; P171-P173 WeakPolarHBondContact O-CD 3.32Å; P171-P173 VanDerWaalsContact O-N 3.16Å
172T97.5Very high93Very high45 Ų4568.2 Ų68.228%0.27641%0.407SS..PPolyproline II helixtrans-55.6122.4173.9-58.20000110.8F115 G116 C117F115-T172 PolarHBondContact O-OG1 3.16Å; G116-T172 WeakPolarHBondContact CA-OG1 3.35Å; C117-T172 PolarHBondContact N-OG1 2.98Å
173P97.6Very high93.5Very high26 Ų2667.7 Ų67.717%0.16940%0.4CS..PPolyproline II helixtrans-61149.4178.9-21.632.1000111.6S108 P150 F151 P171 C175S108-P173 WeakPolarHBondContact CB-O 3.32Å; P150-P173 HydrophobicContact CG-CG 3.74Å; F151-P173 HydrophobicContact CE1-CG 4.4Å; F151-P173 HydrophobicContact CE2-CG 4.09Å; F151-P173 HydrophobicContact CZ-CG 3.57Å; P171-P173 WeakPolarHBondContact O-CD 3.32Å; P171-P173 VanDerWaalsContact O-N 3.16Å; P173-C175 PolarHBondContact O-N 2.85Å
174A97.7Very high94.1Very high68 Ų6874.6 Ų74.656%0.56242%0.423SS*.PPolyproline II helixtrans-61.3138.5170.300000111R147 K176R147-A174 PolarHBondContact NH2-O 3.22Å; A174-K176 PolarHBondContact O-N 3.47Å
175C98.3Very high94.9Very high48 Ų4873.1 Ų73.132%0.32441%0.408SS..PPolyproline II helixtrans-64119.7170.6176.30000109S108 C109 P173S108-C175 WeakPolarHBondContact O-CB 3.38Å; C109-C175 VanDerWaalsContact CA-SG 3.55Å; C109-C175 HydrophobicContact CB-CB 4.01Å; C109-C175 WeakPolarHBondContact CB-SG 3.33Å; C109-C175 VanDerWaalsContact SG-CA 3.57Å; C109-C175 WeakPolarHBondContact SG-CB 3.46Å; C109-C175 CovalentContact SG-SG 2.05Å; C109-C175 PolarHBondContact SG-SG 2.88Å; P173-C175 PolarHBondContact O-N 2.85Å
176K97.9Very high95.5Very high120 Ų12076.4 Ų76.452%0.52243%0.429SS..  trans-120.7116.9172.8-59.5-177.2-178.9177.80108.7A174 S178A174-K176 PolarHBondContact O-N 3.47Å; K176-S178 PolarHBondContact O-N 2.95Å; K176-S178 VanDerWaalsContact O-N 3.08Å
177Q97.8Very high96.1Very high136 Ų13674.6 Ų74.664%0.63641%0.414SS*.SBendtrans-85.345.5175.5-62.4-170.3-8.400111.6Y187Q177-Y187 VanDerWaalsContact C-CG 3.45Å; Q177-Y187 HydrophobicContact CB-CD1 3.89Å; Q177-Y187 HydrophobicContact CB-CE1 3.63Å; Q177-Y187 HydrophobicContact CB-CG 4.48Å; Q177-Y187 HydrophobicContact CG-CE1 3.87Å
178S98.2Very high96.7Very high65 Ų6578.1 Ų78.146%0.45543%0.428SS..SBendtrans-145.8146178.655.90000109.3R147 K176R147-S178 WeakPolarHBondContact CD-O 3.42Å; K176-S178 PolarHBondContact O-N 2.95Å; K176-S178 VanDerWaalsContact O-N 3.08Å
179C98.4Very high97.1Very high26 Ų2681.1 Ų81.118%0.17644%0.436CS..  trans-79.9162.8175.3-550000111.1C146 Y183 I185 Y187C146-C179 HydrophobicContact CB-CB 3.83Å; C146-C179 WeakPolarHBondContact CB-SG 3.18Å; C146-C179 CarbonylContact O-C 3.23Å; C146-C179 VanDerWaalsContact O-CA 3.24Å; C146-C179 WeakPolarHBondContact O-CA 3.43Å; C146-C179 WeakPolarHBondContact SG-CA 3.44Å; C146-C179 WeakPolarHBondContact SG-CB 3.4Å; C146-C179 CovalentContact SG-SG 2.03Å; C146-C179 PolarHBondContact SG-SG 3.04Å; C179-Y183 HydrophobicContact CB-CD1 3.99Å; C179-I185 PolarHBondContact SG-O 3.21Å; C179-Y187 VanDerWaalsContact SG-CA 3.54Å; C179-Y187 PolarHBondContact SG-N 2.81Å
180Q97.3Very high97.4Very high52 Ų5279.5 Ų79.524%0.24343%0.427CS..  trans-56148.7164.860.1173.1-21.100111.1H143 G145 C146 S182 Y183H143-Q180 PolarHBondContact O-NE2 3.16Å; G145-Q180 PolarHBondContact O-NE2 3.46Å; C146-Q180 PolarHBondContact O-N 3.23Å; Q180-S182 VanDerWaalsContact CD-OG 3.24Å; Q180-S182 WeakPolarHBondContact CG-OG 3.31Å; Q180-S182 PolarHBondContact O-N 3.09Å; Q180-S182 PolarHBondContact OE1-OG 3.18Å; Q180-Y183 WeakPolarHBondContact O-CB 3.26Å; Q180-Y183 PolarHBondContact O-N 2.8Å
181S96Very high97.6Very high117 Ų11778.4 Ų78.482%0.81842%0.422SS*.THydrogen-bonded Turntrans-62.6-27.6-171.552.80000114.3Y183S181-Y183 VanDerWaalsContact C-N 3.28Å; S181-Y183 PolarHBondContact O-N 3.1Å
182S95.6Very high97.7Very high71 Ų7176.4 Ų76.450%0.49740%0.402SS..THydrogen-bonded Turntrans-67.7-28.817554.10000112.3Q180 K184Q180-S182 VanDerWaalsContact CD-OG 3.24Å; Q180-S182 WeakPolarHBondContact CG-OG 3.31Å; Q180-S182 PolarHBondContact O-N 3.09Å; Q180-S182 PolarHBondContact OE1-OG 3.18Å; S182-K184 WeakPolarHBondContact O-CE 3.48Å
183Y97.7Very high97.7Very high62 Ų6277.5 Ų77.524%0.24340%0.402CS..  trans-87.5123.1-173.4-161.8-108.2000111.9T136 G145 C146 C179 Q180 S181 I185 D190T136-Y183 PolarHBondContact OG1-OH 2.74Å; G145-Y183 WeakPolarHBondContact O-CD2 3.35Å; C146-Y183 HydrophobicContact CB-CD1 3.79Å; C146-Y183 HydrophobicContact CB-CE1 3.77Å; C179-Y183 HydrophobicContact CB-CD1 3.99Å; Q180-Y183 WeakPolarHBondContact O-CB 3.26Å; Q180-Y183 PolarHBondContact O-N 2.8Å; S181-Y183 VanDerWaalsContact C-N 3.28Å; S181-Y183 PolarHBondContact O-N 3.1Å; Y183-I185 HydrophobicContact CD1-CB 4.22Å; Y183-I185 HydrophobicContact CE1-CB 3.7Å; Y183-I185 HydrophobicContact CE1-CD1 4.43Å; Y183-I185 HydrophobicContact CE1-CG1 4.25Å; Y183-D190 HydrophobicContact CE1-CB 4.35Å; Y183-D190 WeakPolarHBondContact CE1-OD1 3.05Å; Y183-D190 PolarHBondContact OH-OD1 2.76Å
184K96.6Very high97.8Very high173 Ų17376.3 Ų76.375%0.75239%0.394SS*.  trans-87.1-20-167.9-55-53.7177.6-168.20114.6S182 P186S182-K184 WeakPolarHBondContact O-CE 3.48Å; K184-P186 WeakPolarHBondContact O-CD 3.33Å
185I97.9Very high97.8Very high77 Ų7777.9 Ų77.940%0.39539%0.393SS..SBendtrans-79.8125.6-179.9-55.5179.6000108.3C179 Y183 K189 D190C179-I185 PolarHBondContact SG-O 3.21Å; Y183-I185 HydrophobicContact CD1-CB 4.22Å; Y183-I185 HydrophobicContact CE1-CB 3.7Å; Y183-I185 HydrophobicContact CE1-CD1 4.43Å; Y183-I185 HydrophobicContact CE1-CG1 4.25Å; I185-K189 HydrophobicContact CG2-CB 3.88Å; I185-D190 HydrophobicContact CG2-CB 3.92Å
186P98Very high97.7Very high73 Ų7382.3 Ų82.347%0.47440%0.403SS..  trans-59.9142.6176.5-24.433.9000112.1K184 K188 K189 D190K184-P186 WeakPolarHBondContact O-CD 3.33Å; P186-K188 VanDerWaalsContact C-N 3.27Å; P186-K188 PolarHBondContact O-N 2.61Å; P186-K188 VanDerWaalsContact O-N 3.08Å; P186-K189 HydrophobicContact CB-CG 4.49Å; P186-K189 HydrophobicContact CG-CD 4.26Å; P186-K189 WeakPolarHBondContact O-CA 3.44Å; P186-K189 WeakPolarHBondContact O-CB 3.48Å; P186-K189 PolarHBondContact O-N 2.97Å; P186-D190 PolarHBondContact O-N 2.83Å; P186-D190 VanDerWaalsContact O-N 3.14Å
187Y98.6Very high97.7Very high20 Ų2077.4 Ų77.48%0.07838%0.384CS..G310 helixtrans-45.3-47-178.5173-92.7000113.8D105 V135 Q177 C179 K189 D190 K191D105-Y187 WeakPolarHBondContact OD1-CE2 3.3Å; D105-Y187 PolarHBondContact OD1-OH 2.97Å; V135-Y187 HydrophobicContact CG1-CD2 3.59Å; V135-Y187 HydrophobicContact CG1-CE2 3.6Å; V135-Y187 HydrophobicContact CG1-CG 4.2Å; V135-Y187 WeakPolarHBondContact CG1-O 3.13Å; V135-Y187 HydrophobicContact CG2-CD2 4.28Å; V135-Y187 HydrophobicContact CG2-CE2 4.1Å; Q177-Y187 VanDerWaalsContact C-CG 3.45Å; Q177-Y187 HydrophobicContact CB-CD1 3.89Å; Q177-Y187 HydrophobicContact CB-CE1 3.63Å; Q177-Y187 HydrophobicContact CB-CG 4.48Å; Q177-Y187 HydrophobicContact CG-CE1 3.87Å; C179-Y187 VanDerWaalsContact SG-CA 3.54Å; C179-Y187 PolarHBondContact SG-N 2.81Å; Y187-K189 VanDerWaalsContact C-N 3.3Å; Y187-K189 PolarHBondContact O-N 3.32Å; Y187-D190 PolarHBondContact O-N 2.97Å; Y187-K191 WeakPolarHBondContact OH-CE 3Å; Y187-K191 PolarHBondContact OH-NZ 3.24Å
188K98Very high97.7Very high171 Ų17171.2 Ų71.274%0.74336%0.355SS*.G310 helixtrans-65.5-29.4179.4-64.9-173.2178.8-179.40113.7P186P186-K188 VanDerWaalsContact C-N 3.27Å; P186-K188 PolarHBondContact O-N 2.61Å; P186-K188 VanDerWaalsContact O-N 3.08Å
189K97.4Very high97.6Very high169 Ų16971.3 Ų71.374%0.73535%0.347SS*.G310 helixtrans-84.6-18.9179.7-69.2-170176.2-1780112.9I185 P186 Y187 K191I185-K189 HydrophobicContact CG2-CB 3.88Å; P186-K189 HydrophobicContact CB-CG 4.49Å; P186-K189 HydrophobicContact CG-CD 4.26Å; P186-K189 WeakPolarHBondContact O-CA 3.44Å; P186-K189 WeakPolarHBondContact O-CB 3.48Å; P186-K189 PolarHBondContact O-N 2.97Å; Y187-K189 VanDerWaalsContact C-N 3.3Å; Y187-K189 PolarHBondContact O-N 3.32Å; K189-K191 VanDerWaalsContact C-N 3.33Å
190D98.2Very high97.6Very high7 Ų770 Ų704%0.03734%0.338CS..SBendtrans-88.10.5180-160.866.8000113.3V135 T136 C146 Y183 I185 P186 Y187 Y192V135-D190 HydrophobicContact CB-CB 4.29Å; V135-D190 WeakPolarHBondContact CB-OD2 2.9Å; V135-D190 HydrophobicContact CG1-CB 4.22Å; T136-D190 WeakPolarHBondContact CB-OD2 3.49Å; T136-D190 WeakPolarHBondContact CG2-OD2 3.2Å; T136-D190 PolarHBondContact N-OD2 2.96Å; T136-D190 PolarHBondContact OG1-OD2 3.17Å; C146-D190 HydrophobicContact CB-CB 4.41Å; C146-D190 VanDerWaalsContact CB-OD2 3.26Å; C146-D190 WeakPolarHBondContact CB-OD2 3.23Å; Y183-D190 HydrophobicContact CE1-CB 4.35Å; Y183-D190 WeakPolarHBondContact CE1-OD1 3.05Å; Y183-D190 PolarHBondContact OH-OD1 2.76Å; I185-D190 HydrophobicContact CG2-CB 3.92Å; P186-D190 PolarHBondContact O-N 2.83Å; P186-D190 VanDerWaalsContact O-N 3.14Å; Y187-D190 PolarHBondContact O-N 2.97Å; D190-Y192 WeakPolarHBondContact O-CD2 3.41Å; D190-Y192 WeakPolarHBondContact O-CE2 3.35Å; D190-Y192 PolarHBondContact O-N 2.88Å
191K98.2Very high97.5Very high27 Ų2768.4 Ų68.412%0.11733%0.333CS..  trans-72.6126.1-177.6-75.7-75.9-174.9-176.40112.7D105 G133 L134 V135 Y187 K189 Y193D105-K191 IonicContact OD1-NZ 3.42Å; D105-K191 IonicContact OD2-NZ 3.81Å; D105-K191 PolarHBondContact OD2-NZ 2.73Å; G133-K191 VanDerWaalsContact C-CD 3.41Å; G133-K191 WeakPolarHBondContact O-CD 3.25Å; G133-K191 PolarHBondContact O-NZ 3.33Å; L134-K191 WeakPolarHBondContact O-CA 3.39Å; V135-K191 HydrophobicContact CG1-CD 3.69Å; V135-K191 HydrophobicContact CG1-CG 3.93Å; Y187-K191 WeakPolarHBondContact OH-CE 3Å; Y187-K191 PolarHBondContact OH-NZ 3.24Å; K189-K191 VanDerWaalsContact C-N 3.33Å; K191-Y193 HydrophobicContact CB-CD2 4.27Å; K191-Y193 HydrophobicContact CB-CE2 3.47Å; K191-Y193 VanDerWaalsContact CB-CE2 3.47Å
192Y98.6Very high97.6Very high51 Ų5166.4 Ų66.420%0.232%0.319CS..BIsolated β-bridgetrans-100.4132.1168.7-69.5-106.2000109.5I89 Q97 P99 I101 W129 G133 L134 T136 D190 Y298I89-Y192 HydrophobicContact CD1-CD1 3.81Å; I89-Y192 HydrophobicContact CD1-CG 4.15Å; I89-Y192 HydrophobicContact CG2-CD1 4.25Å; I89-Y192 HydrophobicContact CG2-CE1 4.31Å; Q97-Y192 VanDerWaalsContact OE1-CE1 3.3Å; P99-Y192 HydrophobicContact CB-CE1 4.26Å; P99-Y192 HydrophobicContact CB-CE2 4.37Å; P99-Y192 HydrophobicContact CG-CD1 4.29Å; P99-Y192 HydrophobicContact CG-CE1 3.93Å; I101-Y192 HydrophobicContact CD1-CD2 3.94Å; I101-Y192 HydrophobicContact CD1-CG 3.9Å; W129-Y192 VanDerWaalsContact CD1-O 3.3Å; W129-Y192 PolarHBondContact NE1-O 2.8Å; G133-Y192 CarbonylContact C-O 3.6Å; G133-Y192 WeakPolarHBondContact CA-O 3.01Å; L134-Y192 PolarHBondContact N-O 3.26Å; L134-Y192 PolarHBondContact O-N 3.18Å; T136-Y192 HydrophobicContact CG2-CD2 4.32Å; T136-Y192 HydrophobicContact CG2-CE2 3.66Å; D190-Y192 WeakPolarHBondContact O-CD2 3.41Å; D190-Y192 WeakPolarHBondContact O-CE2 3.35Å; D190-Y192 PolarHBondContact O-N 2.88Å; Y192-Y298 AromaticContact CD1-CE2 3.83Å; Y192-Y298 HydrophobicContact CD1-CE2 3.83Å; Y192-Y298 AromaticContact CD1-CZ 3.92Å
193Y98.5Very high97.6Very high68 Ų6866.2 Ų66.227%0.26731%0.312SS..  trans-116.3142.9-173.9-66.6-97.6000111.7N132 K191 Y298 R299N132-Y193 VanDerWaalsContact O-CE1 3.24Å; N132-Y193 WeakPolarHBondContact O-CE1 3.34Å; K191-Y193 HydrophobicContact CB-CD2 4.27Å; K191-Y193 HydrophobicContact CB-CE2 3.47Å; K191-Y193 VanDerWaalsContact CB-CE2 3.47Å; Y193-Y298 VanDerWaalsContact O-CD2 3.31Å; Y193-Y298 WeakPolarHBondContact O-CD2 3.38Å; Y193-R299 VanDerWaalsContact CB-NH2 3.31Å; Y193-R299 VanDerWaalsContact O-CB 3.26Å; Y193-R299 WeakPolarHBondContact O-CB 3.18Å; Y193-R299 PolarHBondContact O-N 3.32Å
194G98.3Very high97.6Very high1 Ų164.7 Ų64.71%0.0131%0.31CS..EExtended strand (participates in β ladder)trans-73.3148.5164.800000111.2W129 L297W129-G194 VanDerWaalsContact CD2-CA 3.46Å; W129-G194 VanDerWaalsContact CZ2-CA 3.45Å; W129-G194 PolarHBondContact O-N 3.14Å; W129-G194 VanDerWaalsContact O-N 3.1Å; G194-L297 CarbonylContact C-O 3.59Å
195L97.6Very high97.6Very high101 Ų10160.4 Ų60.453%0.52929%0.294SS..EExtended strand (participates in β ladder)trans-79.6-44.9167.2176.262.6000110.2L297 R299L195-L297 HydrophobicContact CB-CB 4.41Å; L195-L297 WeakPolarHBondContact CB-O 3.47Å; L195-L297 PolarHBondContact N-O 3.21Å; L195-R299 HydrophobicContact CB-CB 4.16Å
196R97.3Very high97.6Very high141 Ų14157.2 Ų57.253%0.53228%0.278SS..EExtended strand (participates in β ladder)trans-160.8153.8176.857.2179.6165.7-168.2-5.4109.9Y198 G296 L297R196-Y198 HydrophobicContact CG-CD1 4.28Å; R196-Y198 HydrophobicContact CG-CE1 4.36Å; R196-G296 CarbonylContact O-C 3.55Å; R196-G296 WeakPolarHBondContact O-CA 3.41Å; R196-L297 PolarHBondContact O-N 3.28Å
197S97.7Very high97.6Very high18 Ų1853.8 Ų53.813%0.12626%0.256CS..EExtended strand (participates in β ladder)trans-114.1152.617047.40000109.4L36 A295L36-S197 WeakPolarHBondContact CD2-OG 3.46Å; S197-A295 CarbonylContact C-O 3.59Å; S197-A295 WeakPolarHBondContact CA-O 3.38Å
198Y97.6Very high97.6Very high6 Ų653.3 Ų53.32%0.02425%0.254CS..EExtended strand (participates in β ladder)trans-158.8156.8-179.846.1-95.9000110.8T37 K39 R88 R196 I200 E210 A295 L297T37-Y198 WeakPolarHBondContact O-CA 3.39Å; T37-Y198 VanDerWaalsContact O-CB 3.3Å; T37-Y198 WeakPolarHBondContact O-CB 3.47Å; K39-Y198 HydrophobicContact CB-CD2 3.93Å; K39-Y198 HydrophobicContact CB-CG 4.4Å; K39-Y198 HydrophobicContact CD-CD2 3.67Å; K39-Y198 HydrophobicContact CD-CE1 4.42Å; K39-Y198 HydrophobicContact CD-CE2 3.48Å; K39-Y198 VanDerWaalsContact CD-CE2 3.48Å; K39-Y198 HydrophobicContact CD-CG 4.22Å; K39-Y198 HydrophobicContact CG-CD2 4.49Å; K39-Y198 PolarHBondContact NZ-OH 3.43Å; R88-Y198 PolarHBondContact NH1-OH 3.03Å; R196-Y198 HydrophobicContact CG-CD1 4.28Å; R196-Y198 HydrophobicContact CG-CE1 4.36Å; Y198-I200 HydrophobicContact CD2-CD1 4.25Å; Y198-I200 HydrophobicContact CE2-CD1 4.28Å; Y198-E210 PolarHBondContact OH-OE1 3.2Å; Y198-E210 PolarHBondContact OH-OE2 2.03Å; Y198-A295 HydrophobicContact CD2-CB 4.24Å; Y198-A295 HydrophobicContact CE2-CB 3.68Å; Y198-A295 PolarHBondContact N-O 3.49Å; Y198-A295 PolarHBondContact O-N 2.6Å; Y198-A295 VanDerWaalsContact O-O 3.12Å; Y198-L297 HydrophobicContact CE1-CG 4.06Å; Y198-L297 WeakPolarHBondContact OH-CD2 3.41Å
199K97.1Very high97.6Very high66 Ų6646.4 Ų46.429%0.28722%0.224SC..EExtended strand (participates in β ladder)trans-87.1148.2166.6179.1168.5-178.6170.90108.9L36 T37 T38 K39 A291 A293L36-K199 HydrophobicContact CB-CB 4.31Å; T37-K199 PolarHBondContact O-N 2.78Å; T38-K199 CarbonylContact C-O 3.59Å; T38-K199 WeakPolarHBondContact CA-O 3.31Å; K39-K199 WeakPolarHBondContact CB-O 3.17Å; K39-K199 PolarHBondContact N-O 2.91Å; K199-A291 WeakPolarHBondContact CE-O 3.14Å; K199-A291 PolarHBondContact NZ-O 2.77Å; K199-A293 CarbonylContact C-O 3.53Å; K199-A293 WeakPolarHBondContact CA-O 3.06Å
200I97.4Very high97.7Very high0 Ų038.3 Ų38.30%019%0.189CC..EExtended strand (participates in β ladder)trans-95.4145167.8-57.377.1000107.9Y198 D206 I207 E210 M217 A293 A295Y198-I200 HydrophobicContact CD2-CD1 4.25Å; Y198-I200 HydrophobicContact CE2-CD1 4.28Å; I200-D206 HydrophobicContact CG2-CB 3.99Å; I200-I207 HydrophobicContact CG2-CG1 4.01Å; I200-E210 HydrophobicContact CD1-CG 4.17Å; I200-E210 HydrophobicContact CG1-CB 4.01Å; I200-E210 HydrophobicContact CG1-CG 3.79Å; I200-M217 HydrophobicContact CD1-SD 3.82Å; I200-M217 HydrophobicContact CG1-SD 4.16Å; I200-A293 HydrophobicContact CB-CB 3.98Å; I200-A293 HydrophobicContact CD1-CB 4.17Å; I200-A293 WeakPolarHBondContact CD1-O 3.11Å; I200-A293 PolarHBondContact N-O 3.03Å; I200-A295 HydrophobicContact CD1-CB 3.61Å
201S96.2Very high97.7Very high18 Ų1838 Ų3813%0.12619%0.188CC..PPolyproline II helixtrans-55.4152.7172105.50000110.9K39 D203 D206K39-S201 PolarHBondContact O-N 2.99Å; S201-D203 PolarHBondContact O-N 2.97Å; S201-D203 VanDerWaalsContact O-N 3.16Å; S201-D203 WeakPolarHBondContact OG-CB 3.49Å; S201-D203 PolarHBondContact OG-N 3.07Å; S201-D206 WeakPolarHBondContact CB-OD2 3.39Å; S201-D206 WeakPolarHBondContact OG-CB 3.49Å; S201-D206 PolarHBondContact OG-OD2 2.83Å
202S96.4Very high97.7Very high74 Ų7438.4 Ų38.452%0.51719%0.191SC..SBendtrans-75.67.1178.162.30000113.3P204 E290S202-P204 WeakPolarHBondContact O-CD 3.46Å; S202-E290 WeakPolarHBondContact CA-O 3.38Å; S202-E290 WeakPolarHBondContact CB-O 3.13Å
203D97Very high97.6Very high68 Ų6839.1 Ų39.136%0.36420%0.197SC..  trans-72.9120.9171.6-177.1-16.3000109.1S201 L205 D206 I207S201-D203 PolarHBondContact O-N 2.97Å; S201-D203 VanDerWaalsContact O-N 3.16Å; S201-D203 WeakPolarHBondContact OG-CB 3.49Å; S201-D203 PolarHBondContact OG-N 3.07Å; D203-L205 PolarHBondContact O-N 2.89Å; D203-L205 VanDerWaalsContact O-N 3.08Å; D203-L205 WeakPolarHBondContact OD1-CB 3.48Å; D203-L205 PolarHBondContact OD1-N 3.28Å; D203-D206 HydrophobicContact CB-CB 4.24Å; D203-D206 PolarHBondContact O-N 2.83Å; D203-I207 PolarHBondContact O-N 3.02Å; D203-I207 VanDerWaalsContact O-N 3.13Å
204P97.8Very high97.6Very high29 Ų2937.3 Ų37.319%0.18819%0.192CC..Hα-helixtrans-51.3-33.9175.8-26.834.1000113.5S202 I207 Q208 W262S202-P204 WeakPolarHBondContact O-CD 3.46Å; P204-I207 PolarHBondContact O-N 2.88Å; P204-Q208 WeakPolarHBondContact O-CB 3.41Å; P204-Q208 VanDerWaalsContact O-CG 3.27Å; P204-Q208 WeakPolarHBondContact O-CG 3.46Å; P204-Q208 PolarHBondContact O-N 2.92Å; P204-W262 HydrophobicContact CB-CZ2 4.05Å
205L96.9Very high97.6Very high83 Ų8337.3 Ų37.344%0.43519%0.192SC..Hα-helixtrans-67.3-37.6177.8-65.7176.5000112.1I48 D203 Q208 K209I48-L205 HydrophobicContact CG1-CD2 4.32Å; D203-L205 PolarHBondContact O-N 2.89Å; D203-L205 VanDerWaalsContact O-N 3.08Å; D203-L205 WeakPolarHBondContact OD1-CB 3.48Å; D203-L205 PolarHBondContact OD1-N 3.28Å; L205-Q208 PolarHBondContact O-N 3.49Å; L205-K209 WeakPolarHBondContact O-CB 3.34Å; L205-K209 WeakPolarHBondContact O-CD 3.38Å; L205-K209 WeakPolarHBondContact O-CG 3.32Å; L205-K209 PolarHBondContact O-N 2.87Å
206D97.6Very high97.7Very high10 Ų1032.5 Ų32.55%0.05317%0.167CC..Hα-helixtrans-69.4-38.4176.5-80.4-18.2000111.2T40 Y41 I200 S201 D203 K209 E210T40-D206 VanDerWaalsContact CA-OD2 3.3Å; T40-D206 WeakPolarHBondContact CA-OD2 3.35Å; T40-D206 WeakPolarHBondContact CB-OD2 3.27Å; Y41-D206 WeakPolarHBondContact CA-OD1 3.43Å; Y41-D206 VanDerWaalsContact CB-OD1 3.32Å; Y41-D206 WeakPolarHBondContact CB-OD1 3.37Å; Y41-D206 HydrophobicContact CD2-CB 4.13Å; Y41-D206 PolarHBondContact N-OD1 3.42Å; I200-D206 HydrophobicContact CG2-CB 3.99Å; S201-D206 WeakPolarHBondContact CB-OD2 3.39Å; S201-D206 WeakPolarHBondContact OG-CB 3.49Å; S201-D206 PolarHBondContact OG-OD2 2.83Å; D203-D206 HydrophobicContact CB-CB 4.24Å; D203-D206 PolarHBondContact O-N 2.83Å; D206-K209 PolarHBondContact O-N 3.05Å; D206-E210 PolarHBondContact O-N 3.28Å
207I98.5Very high97.7Very high1 Ų125.8 Ų25.81%0.00514%0.141CC..Hα-helixtrans-62.3-47.5173.6-61.9172000110.3I200 D203 P204 K209 E210 L211 M217 L250 W262 E290 A293I200-I207 HydrophobicContact CG2-CG1 4.01Å; D203-I207 PolarHBondContact O-N 3.02Å; D203-I207 VanDerWaalsContact O-N 3.13Å; P204-I207 PolarHBondContact O-N 2.88Å; I207-K209 PolarHBondContact O-N 3.47Å; I207-E210 PolarHBondContact O-N 3.01Å; I207-L211 WeakPolarHBondContact O-CB 3.4Å; I207-L211 PolarHBondContact O-N 3.25Å; I207-M217 HydrophobicContact CG2-CE 4.09Å; I207-M217 HydrophobicContact CG2-SD 4.12Å; I207-M217 WeakPolarHBondContact O-CE 3.35Å; I207-L250 HydrophobicContact CG2-CD2 3.36Å; I207-W262 HydrophobicContact CB-CH2 3.78Å; I207-W262 HydrophobicContact CB-CZ2 4.15Å; I207-W262 HydrophobicContact CD1-CZ2 4.36Å; I207-W262 HydrophobicContact CG2-CH2 3.46Å; I207-W262 VanDerWaalsContact CG2-CH2 3.46Å; I207-W262 HydrophobicContact CG2-CZ2 3.91Å; I207-W262 HydrophobicContact CG2-CZ3 3.97Å; I207-E290 HydrophobicContact CD1-CB 3.97Å; I207-E290 HydrophobicContact CD1-CG 4.02Å; I207-A293 HydrophobicContact CD1-CB 4.35Å; I207-A293 HydrophobicContact CG1-CB 4.27Å
208Q98.5Very high97.8Very high10 Ų1024.9 Ų24.95%0.04714%0.135CC..Hα-helixtrans-59.5-45.4176.4-73.9174.8-54.900112I48 P204 L205 L211 I212 W253 W262I48-Q208 HydrophobicContact CD1-CB 4.46Å; I48-Q208 HydrophobicContact CG2-CB 3.92Å; I48-Q208 HydrophobicContact CG2-CG 4.2Å; P204-Q208 WeakPolarHBondContact O-CB 3.41Å; P204-Q208 VanDerWaalsContact O-CG 3.27Å; P204-Q208 WeakPolarHBondContact O-CG 3.46Å; P204-Q208 PolarHBondContact O-N 2.92Å; L205-Q208 PolarHBondContact O-N 3.49Å; Q208-L211 PolarHBondContact O-N 2.6Å; Q208-I212 WeakPolarHBondContact O-CG1 3.42Å; Q208-I212 PolarHBondContact O-N 3.25Å; Q208-W253 HydrophobicContact CB-CE3 4.34Å; Q208-W253 HydrophobicContact CB-CH2 3.62Å; Q208-W253 HydrophobicContact CB-CZ2 4.05Å; Q208-W253 HydrophobicContact CB-CZ3 3.81Å; Q208-W253 HydrophobicContact CG-CD2 3.85Å; Q208-W253 HydrophobicContact CG-CE3 3.81Å; Q208-W253 HydrophobicContact CG-CG 4.49Å; Q208-W253 HydrophobicContact CG-CH2 3.87Å; Q208-W253 HydrophobicContact CG-CZ2 4.01Å; Q208-W253 HydrophobicContact CG-CZ3 3.8Å; Q208-W253 VanDerWaalsContact NE2-CE2 3.31Å; Q208-W253 VanDerWaalsContact NE2-NE1 3.19Å; Q208-W262 HydrophobicContact CG-CH2 3.59Å; Q208-W262 HydrophobicContact CG-CZ3 3.75Å
209K98.1Very high97.8Very high26 Ų2624.7 Ų24.711%0.11314%0.135CC..Hα-helixtrans-62.8-45.7177.5-72.8168.4-175.11690111.8Y41 M46 I48 L205 D206 I207 L211 I212 I213Y41-K209 HydrophobicContact CD1-CB 4.46Å; Y41-K209 HydrophobicContact CD2-CB 3.84Å; Y41-K209 HydrophobicContact CD2-CD 4.3Å; Y41-K209 HydrophobicContact CE2-CB 4.16Å; Y41-K209 HydrophobicContact CG-CB 3.99Å; Y41-K209 HydrophobicContact CG-CD 3.91Å; Y41-K209 PolarHBondContact O-NZ 3.25Å; M46-K209 HydrophobicContact SD-CB 4.46Å; M46-K209 HydrophobicContact SD-CG 4.05Å; I48-K209 HydrophobicContact CD1-CG 3.65Å; L205-K209 WeakPolarHBondContact O-CB 3.34Å; L205-K209 WeakPolarHBondContact O-CD 3.38Å; L205-K209 WeakPolarHBondContact O-CG 3.32Å; L205-K209 PolarHBondContact O-N 2.87Å; D206-K209 PolarHBondContact O-N 3.05Å; I207-K209 PolarHBondContact O-N 3.47Å; K209-L211 VanDerWaalsContact C-N 3.27Å; K209-L211 PolarHBondContact O-N 3.41Å; K209-I212 PolarHBondContact O-N 3.01Å; K209-I213 HydrophobicContact CB-CD1 4.43Å; K209-I213 WeakPolarHBondContact O-CB 3.34Å; K209-I213 VanDerWaalsContact O-CD1 3.24Å; K209-I213 WeakPolarHBondContact O-CD1 3.37Å; K209-I213 WeakPolarHBondContact O-CG1 3.45Å; K209-I213 PolarHBondContact O-N 3.02Å
210E98.2Very high97.8Very high0 Ų022 Ų220%012%0.124CC..Hα-helixtrans-58.7-43.6176.5173.968.7-157.500111.2K39 Y41 R88 Y198 I200 D206 I207 I213 N214 M217K39-E210 IonicContact NZ-OE2 3Å; K39-E210 PolarHBondContact NZ-OE2 3.31Å; Y41-E210 HydrophobicContact CE2-CB 3.93Å; Y41-E210 PolarHBondContact OH-OE2 2.79Å; R88-E210 IonicContact CZ-OE1 2.79Å; R88-E210 IonicContact NH1-OE1 3.93Å; R88-E210 PolarHBondContact NH1-OE1 2.82Å; R88-E210 IonicContact NH2-OE1 3.79Å; R88-E210 PolarHBondContact NH2-OE1 3Å; Y198-E210 PolarHBondContact OH-OE1 3.2Å; Y198-E210 PolarHBondContact OH-OE2 2.03Å; I200-E210 HydrophobicContact CD1-CG 4.17Å; I200-E210 HydrophobicContact CG1-CB 4.01Å; I200-E210 HydrophobicContact CG1-CG 3.79Å; D206-E210 PolarHBondContact O-N 3.28Å; I207-E210 PolarHBondContact O-N 3.01Å; E210-I213 PolarHBondContact O-N 2.82Å; E210-N214 PolarHBondContact O-N 3.19Å; E210-N214 WeakPolarHBondContact OE1-CB 3.46Å; E210-N214 PolarHBondContact OE1-ND2 3.13Å; E210-N214 VanDerWaalsContact OE1-ND2 3.09Å; E210-N214 PolarHBondContact OE2-ND2 3.34Å; E210-M217 HydrophobicContact CB-CE 3.79Å; E210-M217 HydrophobicContact CG-CE 3.59Å; E210-M217 HydrophobicContact CG-SD 4.26Å
211L98.2Very high97.8Very high0 Ų022.3 Ų22.30%013%0.126CC..Hα-helixtrans-64.5-41.3-179-156.794.5000111.8F52 W58 I207 Q208 K209 G215 M217 L250 W253F52-L211 HydrophobicContact CD1-CD2 3.48Å; F52-L211 VanDerWaalsContact CD1-CD2 3.48Å; F52-L211 HydrophobicContact CD1-CG 4.45Å; F52-L211 HydrophobicContact CE1-CD2 3.52Å; F52-L211 HydrophobicContact CE1-CG 4.05Å; W58-L211 VanDerWaalsContact CH2-O 3.3Å; W58-L211 WeakPolarHBondContact CH2-O 3.2Å; I207-L211 WeakPolarHBondContact O-CB 3.4Å; I207-L211 PolarHBondContact O-N 3.25Å; Q208-L211 PolarHBondContact O-N 2.6Å; K209-L211 VanDerWaalsContact C-N 3.27Å; K209-L211 PolarHBondContact O-N 3.41Å; L211-G215 WeakPolarHBondContact O-CA 3.04Å; L211-G215 PolarHBondContact O-N 2.87Å; L211-M217 HydrophobicContact CB-CE 3.81Å; L211-M217 HydrophobicContact CD1-CE 3.57Å; L211-M217 HydrophobicContact CG-CE 4.32Å; L211-L250 HydrophobicContact CD1-CD2 4.29Å; L211-L250 HydrophobicContact CD1-CG 3.99Å; L211-L250 WeakPolarHBondContact CD1-O 3.46Å; L211-W253 HydrophobicContact CB-CZ3 4.05Å; L211-W253 HydrophobicContact CD2-CE3 3.75Å; L211-W253 HydrophobicContact CD2-CZ3 3.55Å; L211-W253 HydrophobicContact CG-CZ3 4.44Å
212I98.1Very high97.8Very high35 Ų3521.6 Ų21.618%0.17912%0.121CC..Hα-helixtrans-62.7-44.6174.5-72.6160.7000111.3M46 I48 F52 W58 Q208 K209 W253M46-I212 HydrophobicContact CE-CG2 4.11Å; M46-I212 HydrophobicContact SD-CB 4.21Å; M46-I212 HydrophobicContact SD-CD1 3.81Å; M46-I212 HydrophobicContact SD-CG2 3.95Å; I48-I212 HydrophobicContact CD1-CD1 3.93Å; F52-I212 HydrophobicContact CD2-CG1 3.92Å; F52-I212 HydrophobicContact CE2-CB 4.47Å; F52-I212 HydrophobicContact CE2-CG1 3.87Å; F52-I212 HydrophobicContact CG-CG1 4.5Å; F52-I212 HydrophobicContact CZ-CG1 4.41Å; W58-I212 WeakPolarHBondContact CH2-O 3.5Å; W58-I212 WeakPolarHBondContact CZ2-O 3.47Å; Q208-I212 WeakPolarHBondContact O-CG1 3.42Å; Q208-I212 PolarHBondContact O-N 3.25Å; K209-I212 PolarHBondContact O-N 3.01Å; I212-W253 HydrophobicContact CD1-CH2 3.59Å; I212-W253 HydrophobicContact CD1-CZ2 4.09Å; I212-W253 HydrophobicContact CG1-CH2 3.61Å; I212-W253 HydrophobicContact CG1-CZ2 4.44Å; I212-W253 HydrophobicContact CG1-CZ3 4.44Å
213I97.1Very high97.8Very high67 Ų6718.1 Ų18.134%0.34410%0.096SC..Hα-helixtrans-77.7-42.6-169.8-62.9161.6000111.1Y41 L44 M46 K209 E210Y41-I213 HydrophobicContact CD1-CD1 4.11Å; Y41-I213 HydrophobicContact CE1-CD1 3.45Å; Y41-I213 VanDerWaalsContact CE1-CD1 3.45Å; L44-I213 HydrophobicContact CD2-CD1 3.45Å; L44-I213 VanDerWaalsContact CD2-CD1 3.45Å; M46-I213 HydrophobicContact CE-CD1 4.1Å; M46-I213 HydrophobicContact CE-CG1 3.81Å; K209-I213 HydrophobicContact CB-CD1 4.43Å; K209-I213 WeakPolarHBondContact O-CB 3.34Å; K209-I213 VanDerWaalsContact O-CD1 3.24Å; K209-I213 WeakPolarHBondContact O-CD1 3.37Å; K209-I213 WeakPolarHBondContact O-CG1 3.45Å; K209-I213 PolarHBondContact O-N 3.02Å; E210-I213 PolarHBondContact O-N 2.82Å
214N97.9Very high97.7Very high30 Ų3017.5 Ų17.516%0.169%0.089CC..Hα-helixtrans-124.6-6.1-167.4-57.3-62.1000113.8R88 E210 L297R88-N214 WeakPolarHBondContact CG-O 3.43Å; E210-N214 PolarHBondContact O-N 3.19Å; E210-N214 WeakPolarHBondContact OE1-CB 3.46Å; E210-N214 PolarHBondContact OE1-ND2 3.13Å; E210-N214 VanDerWaalsContact OE1-ND2 3.09Å; E210-N214 PolarHBondContact OE2-ND2 3.34Å; N214-L297 HydrophobicContact CB-CD2 4.33Å; N214-L297 WeakPolarHBondContact OD1-CD2 3.5Å
215G98.6Very high97.5Very high0 Ų019.7 Ų19.70%010%0.097CC..  trans87.4-164.7177.500000115.2R88 L211R88-G215 PolarHBondContact NH2-O 3.5Å; L211-G215 WeakPolarHBondContact O-CA 3.04Å; L211-G215 PolarHBondContact O-N 2.87Å
216P98.9Very high97.3Very high0 Ų016.9 Ų16.90%08%0.082CC..  trans-51.9149.2-172.6-29.436.5000114.2A54 I64 D87 R88 R249 L250 L251A54-P216 HydrophobicContact CB-CG 3.86Å; I64-P216 HydrophobicContact CG2-CG 4.02Å; D87-P216 HydrophobicContact CB-CB 4.43Å; D87-P216 HydrophobicContact CB-CG 4.11Å; D87-P216 WeakPolarHBondContact OD2-CB 3.03Å; D87-P216 WeakPolarHBondContact OD2-CG 3.29Å; R88-P216 PolarHBondContact NE-O 2.99Å; R88-P216 PolarHBondContact NH2-O 2.84Å; P216-R249 HydrophobicContact CB-CG 3.9Å; P216-L250 WeakPolarHBondContact CA-O 3.25Å; P216-L250 WeakPolarHBondContact CB-O 3.43Å; P216-L251 HydrophobicContact CB-CB 4.34Å; P216-L251 HydrophobicContact CG-CB 4.1Å
217M98.7Very high97.2Very high0 Ų016.4 Ų16.40%08%0.08CC..EExtended strand (participates in β ladder)trans-136.5163.7179.971.7-169.283.600111.1I200 I207 E210 L211 V219 R249 L250 A293 A295I200-M217 HydrophobicContact CD1-SD 3.82Å; I200-M217 HydrophobicContact CG1-SD 4.16Å; I207-M217 HydrophobicContact CG2-CE 4.09Å; I207-M217 HydrophobicContact CG2-SD 4.12Å; I207-M217 WeakPolarHBondContact O-CE 3.35Å; E210-M217 HydrophobicContact CB-CE 3.79Å; E210-M217 HydrophobicContact CG-CE 3.59Å; E210-M217 HydrophobicContact CG-SD 4.26Å; L211-M217 HydrophobicContact CB-CE 3.81Å; L211-M217 HydrophobicContact CD1-CE 3.57Å; L211-M217 HydrophobicContact CG-CE 4.32Å; M217-V219 HydrophobicContact CG-CG1 4.26Å; M217-R249 CarbonylContact O-C 3.56Å; M217-R249 WeakPolarHBondContact O-CA 3.2Å; M217-L250 HydrophobicContact CE-CD2 4.45Å; M217-L250 HydrophobicContact CG-CB 4.15Å; M217-L250 HydrophobicContact CG-CD2 4.25Å; M217-L250 PolarHBondContact N-O 2.84Å; M217-L250 VanDerWaalsContact N-O 3.08Å; M217-L250 PolarHBondContact O-N 3.41Å; M217-L250 HydrophobicContact SD-CD2 4.39Å; M217-A293 HydrophobicContact SD-CB 3.91Å; M217-A295 HydrophobicContact CB-CB 4.11Å
218E98.7Very high96.8Very high0 Ų016.7 Ų16.70%08%0.081CC..EExtended strand (participates in β ladder)trans-86.6135.9173.8-175.9172.8-140.300109.3G80 A81 P122 W126 A247 I294G80-E218 WeakPolarHBondContact CA-OE1 3.24Å; A81-E218 WeakPolarHBondContact CB-OE2 3.28Å; A81-E218 PolarHBondContact N-OE1 3.03Å; A81-E218 PolarHBondContact N-OE2 2.91Å; P122-E218 HydrophobicContact CB-CG 4.43Å; W126-E218 HydrophobicContact CZ2-CB 4.04Å; W126-E218 PolarHBondContact NE1-OE2 2.99Å; E218-A247 HydrophobicContact CG-CB 4.4Å; E218-I294 PolarHBondContact N-O 2.91Å; E218-I294 PolarHBondContact O-N 2.93Å
219V98Very high96.4Very high1 Ų118.3 Ų18.31%0.0069%0.092CC..EExtended strand (participates in β ladder)trans-131.6161.7171-60.70000108.6M217 A247 V248 L250 L264 I289 A293M217-V219 HydrophobicContact CG-CG1 4.26Å; V219-A247 CarbonylContact O-C 3.54Å; V219-A247 WeakPolarHBondContact O-CA 3.4Å; V219-V248 HydrophobicContact CG2-CG2 3.68Å; V219-V248 PolarHBondContact N-O 3.06Å; V219-V248 PolarHBondContact O-N 2.97Å; V219-V248 VanDerWaalsContact O-O 3.12Å; V219-L250 HydrophobicContact CG1-CB 3.94Å; V219-L250 HydrophobicContact CG1-CD2 4.1Å; V219-L250 HydrophobicContact CG2-CB 4.11Å; V219-L264 HydrophobicContact CG2-CD2 3.56Å; V219-I289 HydrophobicContact CB-CD1 4.24Å; V219-I289 HydrophobicContact CG2-CD1 3.53Å; V219-I289 HydrophobicContact CG2-CG1 4.24Å; V219-A293 HydrophobicContact CG1-CB 3.95Å
220A97.2Very high96.2Very high9 Ų917.6 Ų17.67%0.0749%0.088CC..EExtended strand (participates in β ladder)trans-127.6150.417200000110.5V24 H246 I289V24-A220 HydrophobicContact CG1-CB 4.34Å; V24-A220 HydrophobicContact CG2-CB 4.11Å; A220-H246 CarbonylContact C-O 3.48Å; A220-H246 WeakPolarHBondContact CA-O 3.24Å; A220-I289 WeakPolarHBondContact O-CA 3.05Å
221F97.1Very high95.8Very high7 Ų721.9 Ų21.93%0.03111%0.107CC..EExtended strand (participates in β ladder)trans-145.6162.6174.569.7-66.6000110.6V223 F227 G245 H246 V248 F278 I280 C287 I289F221-V223 HydrophobicContact CD2-CG2 4.36Å; F221-V223 HydrophobicContact CE1-CG2 4.34Å; F221-V223 HydrophobicContact CE2-CG2 3.69Å; F221-V223 HydrophobicContact CZ-CG2 3.67Å; F221-F227 HydrophobicContact CE2-CD1 4.33Å; F221-F227 HydrophobicContact CE2-CD2 4.09Å; F221-F227 HydrophobicContact CE2-CE1 4.19Å; F221-F227 AromaticContact CE2-CE2 3.95Å; F221-F227 HydrophobicContact CE2-CE2 3.95Å; F221-F227 HydrophobicContact CE2-CG 4.27Å; F221-F227 AromaticContact CE2-CZ 3.99Å; F221-F227 HydrophobicContact CE2-CZ 3.99Å; F221-F227 HydrophobicContact CZ-CD1 4.24Å; F221-F227 HydrophobicContact CZ-CD2 4.45Å; F221-F227 AromaticContact CZ-CE1 3.7Å; F221-F227 HydrophobicContact CZ-CE1 3.7Å; F221-F227 AromaticContact CZ-CE2 3.94Å; F221-F227 HydrophobicContact CZ-CE2 3.94Å; F221-F227 AromaticContact CZ-CZ 3.51Å; F221-F227 HydrophobicContact CZ-CZ 3.51Å; F221-G245 WeakPolarHBondContact O-CA 3.47Å; F221-H246 HydrophobicContact CE1-CB 4.17Å; F221-H246 AromaticContact CE1-CD2 3.87Å; F221-H246 PolarHBondContact N-O 2.92Å; F221-H246 PolarHBondContact O-N 3.36Å; F221-V248 HydrophobicContact CD1-CG2 3.95Å; F221-V248 HydrophobicContact CE1-CG1 3.87Å; F221-V248 HydrophobicContact CE1-CG2 3.87Å; F221-F278 HydrophobicContact CE1-CE2 4.43Å; F221-F278 AromaticContact CE1-CZ 3.88Å; F221-F278 HydrophobicContact CE1-CZ 3.88Å; F221-F278 HydrophobicContact CZ-CE2 4.18Å; F221-F278 AromaticContact CZ-CZ 3.96Å; F221-F278 HydrophobicContact CZ-CZ 3.96Å; F221-I280 HydrophobicContact CD2-CD1 4.14Å; F221-C287 CarbonylContact C-O 3.51Å; F221-C287 WeakPolarHBondContact CA-O 3.24Å; F221-C287 HydrophobicContact CB-CB 4.18Å; F221-C287 WeakPolarHBondContact CB-O 3.42Å; F221-C287 HydrophobicContact CD2-CB 4.1Å; F221-I289 HydrophobicContact CB-CB 4.04Å; F221-I289 HydrophobicContact CB-CD1 3.59Å; F221-I289 HydrophobicContact CB-CG1 4.41Å; F221-I289 HydrophobicContact CD1-CD1 3.76Å; F221-I289 HydrophobicContact CG-CD1 3.86Å
222E97.1Very high95.6Very high4 Ų425.3 Ų25.32%0.01912%0.123CC..EExtended strand (participates in β ladder)trans-78.1125.3172.2-171.364.5169.700111.3R26 Y224 S242 G244 G245 C287R26-E222 IonicContact CZ-OE1 2.64Å; R26-E222 IonicContact CZ-OE2 2.82Å; R26-E222 IonicContact NE-OE2 2.78Å; R26-E222 PolarHBondContact NE-OE2 3.37Å; R26-E222 IonicContact NH1-OE1 3.56Å; R26-E222 PolarHBondContact NH1-OE1 2.91Å; R26-E222 IonicContact NH1-OE2 3.25Å; R26-E222 PolarHBondContact NH1-OE2 3.45Å; R26-E222 VanDerWaalsContact NH2-CG 3.3Å; R26-E222 IonicContact NH2-OE1 3.55Å; R26-E222 IonicContact NH2-OE2 3.36Å; R26-E222 PolarHBondContact NH2-OE2 2.74Å; E222-Y224 HydrophobicContact CB-CD2 4.47Å; E222-Y224 HydrophobicContact CB-CE2 3.81Å; E222-Y224 HydrophobicContact CG-CD2 4.13Å; E222-Y224 HydrophobicContact CG-CE2 3.56Å; E222-S242 VanDerWaalsContact OE1-CB 3.24Å; E222-S242 WeakPolarHBondContact OE1-CB 3.43Å; E222-S242 PolarHBondContact OE1-OG 3.44Å; E222-G244 VanDerWaalsContact CD-C 3.5Å; E222-G244 PolarHBondContact OE1-N 3.35Å; E222-G244 VanDerWaalsContact OE2-O 3.13Å; E222-G245 PolarHBondContact OE2-N 3.26Å; E222-C287 HydrophobicContact CB-CB 4.43Å; E222-C287 PolarHBondContact N-O 3.46Å; E222-C287 WeakPolarHBondContact O-CB 3.36Å
223V96Very high95.6Very high0 Ų023.9 Ų23.90%012%0.117CC..EExtended strand (participates in β ladder)trans-89.4132.3172.5175.70000109.3M22 F221 F227 L228 L243 G244 H246M22-V223 HydrophobicContact CE-CG1 4.19Å; M22-V223 HydrophobicContact CG-CB 4.46Å; M22-V223 HydrophobicContact SD-CB 3.56Å; M22-V223 VanDerWaalsContact SD-CB 3.56Å; M22-V223 HydrophobicContact SD-CG1 3.73Å; M22-V223 HydrophobicContact SD-CG2 3.59Å; M22-V223 VanDerWaalsContact SD-CG2 3.59Å; F221-V223 HydrophobicContact CD2-CG2 4.36Å; F221-V223 HydrophobicContact CE1-CG2 4.34Å; F221-V223 HydrophobicContact CE2-CG2 3.69Å; F221-V223 HydrophobicContact CZ-CG2 3.67Å; V223-F227 HydrophobicContact CG1-CB 4.11Å; V223-F227 HydrophobicContact CG1-CD1 3.88Å; V223-F227 HydrophobicContact CG1-CG 4.37Å; V223-F227 HydrophobicContact CG2-CD1 4.16Å; V223-F227 HydrophobicContact CG2-CE1 4.5Å; V223-L228 HydrophobicContact CG1-CD2 4.09Å; V223-L243 HydrophobicContact CG1-CB 4.4Å; V223-L243 HydrophobicContact CG1-CD1 4.07Å; V223-L243 WeakPolarHBondContact O-CB 3.09Å; V223-L243 PolarHBondContact O-N 3.49Å; V223-G244 PolarHBondContact N-O 3.33Å; V223-H246 HydrophobicContact CG2-CB 3.38Å
224Y95.3Very high95.6Very high55 Ų5521.1 Ų21.122%0.21610%0.103CC..EExtended strand (participates in β ladder)trans-113.2162172.8-66.3-96000109.9E222 D226 F227 H237 S241 C287E222-Y224 HydrophobicContact CB-CD2 4.47Å; E222-Y224 HydrophobicContact CB-CE2 3.81Å; E222-Y224 HydrophobicContact CG-CD2 4.13Å; E222-Y224 HydrophobicContact CG-CE2 3.56Å; Y224-D226 VanDerWaalsContact CB-OD1 3.23Å; Y224-D226 WeakPolarHBondContact CB-OD1 3.07Å; Y224-D226 PolarHBondContact O-N 3.5Å; Y224-F227 WeakPolarHBondContact O-CB 3.45Å; Y224-F227 PolarHBondContact O-N 2.79Å; Y224-H237 WeakPolarHBondContact CB-ND1 3.25Å; Y224-H237 AromaticContact CD1-CE1 3.34Å; Y224-H237 WeakPolarHBondContact CD1-CE1 3.08Å; Y224-H237 AromaticContact CD1-ND1 3.78Å; Y224-H237 AromaticContact CD1-NE2 3.62Å; Y224-H237 HydrophobicContact CD2-CB 4.3Å; Y224-H237 AromaticContact CD2-CG 3.92Å; Y224-H237 AromaticContact CD2-ND1 3.87Å; Y224-H237 AromaticContact CE1-NE2 3.8Å; Y224-H237 AromaticContact CG-CE1 3.49Å; Y224-H237 VanDerWaalsContact CG-CE1 3.49Å; Y224-H237 AromaticContact CG-CG 3.9Å; Y224-H237 AromaticContact CG-ND1 3.42Å; Y224-S241 VanDerWaalsContact CA-O 3.31Å; Y224-S241 WeakPolarHBondContact CA-O 3.49Å; Y224-C287 HydrophobicContact CE2-CB 4.41Å
225E92.8Very high95.6Very high75 Ų7520 Ų2035%0.3510%0.097SC..G310 helixtrans-55.1-34-178.6-68166.2161.200113.2F227 L228 G240 S241 L243E225-F227 VanDerWaalsContact C-N 3.3Å; E225-F227 PolarHBondContact O-N 2.03Å; E225-L228 WeakPolarHBondContact O-CB 3.32Å; E225-L228 PolarHBondContact O-N 2.88Å; E225-G240 WeakPolarHBondContact OE2-CA 3.39Å; E225-S241 VanDerWaalsContact CD-N 3.3Å; E225-S241 PolarHBondContact N-O 3.49Å; E225-S241 PolarHBondContact OE2-N 2.78Å; E225-L243 HydrophobicContact CG-CD1 4.21Å; E225-L243 HydrophobicContact CG-CD2 3.98Å; E225-L243 HydrophobicContact CG-CG 4.17Å
226D93.6Very high95.6Very high24 Ų2422.5 Ų22.513%0.12811%0.109CC..G310 helixtrans-71-20.1177.661.2-14.1000114.2Y224 L228 V229 Y235 H237 K238 T239Y224-D226 VanDerWaalsContact CB-OD1 3.23Å; Y224-D226 WeakPolarHBondContact CB-OD1 3.07Å; Y224-D226 PolarHBondContact O-N 3.5Å; D226-L228 VanDerWaalsContact C-N 3.31Å; D226-V229 WeakPolarHBondContact O-CG2 3.43Å; D226-Y235 PolarHBondContact OD1-OH 2.8Å; D226-Y235 VanDerWaalsContact OD1-OH 3.08Å; D226-H237 IonicContact OD1-CE1 3.05Å; D226-H237 IonicContact OD1-ND1 2.75Å; D226-H237 PolarHBondContact OD1-ND1 2.95Å; D226-H237 IonicContact OD2-CE1 3.86Å; D226-H237 IonicContact OD2-CG 3.35Å; D226-H237 IonicContact OD2-ND1 3.58Å; D226-H237 PolarHBondContact OD2-ND1 3.1Å; D226-H237 VanDerWaalsContact OD2-ND1 3.16Å; D226-K238 PolarHBondContact OD2-N 3.17Å; D226-T239 VanDerWaalsContact CB-O 3.25Å; D226-T239 WeakPolarHBondContact CB-O 3.26Å; D226-T239 PolarHBondContact OD2-N 3.23Å; D226-T239 VanDerWaalsContact OD2-O 3.12Å
227F94.5Very high95.5Very high0 Ų025.1 Ų25.10%012%0.121CC..G310 helixtrans-70.2-30.5172.3-174.9-102.7000112.3F221 V223 Y224 E225 V229 Y230 Y235 W268 W272 F278F221-F227 HydrophobicContact CE2-CD1 4.33Å; F221-F227 HydrophobicContact CE2-CD2 4.09Å; F221-F227 HydrophobicContact CE2-CE1 4.19Å; F221-F227 AromaticContact CE2-CE2 3.95Å; F221-F227 HydrophobicContact CE2-CE2 3.95Å; F221-F227 HydrophobicContact CE2-CG 4.27Å; F221-F227 AromaticContact CE2-CZ 3.99Å; F221-F227 HydrophobicContact CE2-CZ 3.99Å; F221-F227 HydrophobicContact CZ-CD1 4.24Å; F221-F227 HydrophobicContact CZ-CD2 4.45Å; F221-F227 AromaticContact CZ-CE1 3.7Å; F221-F227 HydrophobicContact CZ-CE1 3.7Å; F221-F227 AromaticContact CZ-CE2 3.94Å; F221-F227 HydrophobicContact CZ-CE2 3.94Å; F221-F227 AromaticContact CZ-CZ 3.51Å; F221-F227 HydrophobicContact CZ-CZ 3.51Å; V223-F227 HydrophobicContact CG1-CB 4.11Å; V223-F227 HydrophobicContact CG1-CD1 3.88Å; V223-F227 HydrophobicContact CG1-CG 4.37Å; V223-F227 HydrophobicContact CG2-CD1 4.16Å; V223-F227 HydrophobicContact CG2-CE1 4.5Å; Y224-F227 WeakPolarHBondContact O-CB 3.45Å; Y224-F227 PolarHBondContact O-N 2.79Å; E225-F227 VanDerWaalsContact C-N 3.3Å; E225-F227 PolarHBondContact O-N 2.03Å; F227-V229 PolarHBondContact O-N 3.4Å; F227-V229 VanDerWaalsContact O-N 3.15Å; F227-Y230 WeakPolarHBondContact O-CB 3.47Å; F227-Y230 PolarHBondContact O-N 3.4Å; F227-Y235 HydrophobicContact CB-CE1 4.41Å; F227-Y235 HydrophobicContact CB-CE2 3.9Å; F227-Y235 AromaticContact CD2-CD1 3.73Å; F227-Y235 HydrophobicContact CD2-CD1 3.73Å; F227-Y235 AromaticContact CD2-CD2 3.91Å; F227-Y235 HydrophobicContact CD2-CD2 3.91Å; F227-Y235 AromaticContact CD2-CE1 3.72Å; F227-Y235 HydrophobicContact CD2-CE1 3.72Å; F227-Y235 AromaticContact CD2-CE2 3.88Å; F227-Y235 HydrophobicContact CD2-CE2 3.88Å; F227-Y235 AromaticContact CD2-CG 3.84Å; F227-Y235 HydrophobicContact CD2-CG 3.84Å; F227-Y235 AromaticContact CD2-CZ 3.8Å; F227-Y235 HydrophobicContact CE2-CD1 4.18Å; F227-Y235 HydrophobicContact CE2-CE1 4.5Å; F227-Y235 HydrophobicContact CE2-CG 4.31Å; F227-Y235 HydrophobicContact CG-CE1 4.47Å; F227-Y235 HydrophobicContact CG-CE2 4.42Å; F227-W268 HydrophobicContact CD1-CH2 4.19Å; F227-W268 HydrophobicContact CD1-CZ3 4.21Å; F227-W268 AromaticContact CE1-CH2 3.96Å; F227-W268 HydrophobicContact CE1-CH2 3.96Å; F227-W268 AromaticContact CE1-CZ3 3.86Å; F227-W268 HydrophobicContact CE1-CZ3 3.86Å; F227-W272 HydrophobicContact CD1-CZ2 4.28Å; F227-W272 AromaticContact CE1-CH2 3.81Å; F227-W272 HydrophobicContact CE1-CH2 3.81Å; F227-W272 AromaticContact CE1-CZ2 3.59Å; F227-W272 HydrophobicContact CE1-CZ2 3.59Å; F227-W272 HydrophobicContact CE2-CH2 4.1Å; F227-W272 HydrophobicContact CE2-CZ2 4.34Å; F227-W272 AromaticContact CZ-CH2 3.39Å; F227-W272 HydrophobicContact CZ-CH2 3.39Å; F227-W272 AromaticContact CZ-CZ2 3.63Å; F227-W272 HydrophobicContact CZ-CZ2 3.63Å; F227-F278 AromaticContact CE2-CD2 3.7Å; F227-F278 HydrophobicContact CE2-CD2 3.7Å; F227-F278 AromaticContact CE2-CE2 3.81Å; F227-F278 HydrophobicContact CE2-CE2 3.81Å; F227-F278 HydrophobicContact CE2-CG 4.26Å; F227-F278 HydrophobicContact CE2-CZ 4.45Å; F227-F278 HydrophobicContact CZ-CD1 4.35Å; F227-F278 AromaticContact CZ-CD2 3.92Å; F227-F278 HydrophobicContact CZ-CD2 3.92Å; F227-F278 HydrophobicContact CZ-CE1 4.3Å; F227-F278 AromaticContact CZ-CE2 3.87Å; F227-F278 HydrophobicContact CZ-CE2 3.87Å; F227-F278 HydrophobicContact CZ-CG 4.15Å; F227-F278 HydrophobicContact CZ-CZ 4.05Å
228L90.2Very high95.4Very high8 Ų832 Ų324%0.04215%0.151CC..G310 helixtrans-61.4-26.4-178.5-60.3-172.9000112.6N7 F10 I18 M22 V223 E225 D226 L243 W268N7-L228 PolarHBondContact ND2-O 3.39Å; F10-L228 HydrophobicContact CB-CD1 3.97Å; F10-L228 HydrophobicContact CD1-CD1 3.81Å; F10-L228 HydrophobicContact CD1-CD2 4.44Å; F10-L228 HydrophobicContact CD2-CB 3.54Å; F10-L228 HydrophobicContact CD2-CD1 3.97Å; F10-L228 HydrophobicContact CD2-CD2 4.27Å; F10-L228 HydrophobicContact CD2-CG 4.14Å; F10-L228 HydrophobicContact CE1-CD1 4.2Å; F10-L228 HydrophobicContact CE1-CD2 4Å; F10-L228 HydrophobicContact CE2-CB 3.77Å; F10-L228 HydrophobicContact CE2-CD1 4.39Å; F10-L228 HydrophobicContact CE2-CD2 3.86Å; F10-L228 HydrophobicContact CE2-CG 4.21Å; F10-L228 HydrophobicContact CG-CB 4.1Å; F10-L228 HydrophobicContact CG-CD1 3.66Å; F10-L228 HydrophobicContact CG-CG 4.33Å; F10-L228 HydrophobicContact CZ-CB 4.48Å; F10-L228 HydrophobicContact CZ-CD2 3.72Å; F10-L228 HydrophobicContact CZ-CG 4.45Å; I18-L228 HydrophobicContact CG2-CD1 3.74Å; I18-L228 HydrophobicContact CG2-CD2 4.37Å; M22-L228 HydrophobicContact CE-CD2 4.42Å; V223-L228 HydrophobicContact CG1-CD2 4.09Å; E225-L228 WeakPolarHBondContact O-CB 3.32Å; E225-L228 PolarHBondContact O-N 2.88Å; D226-L228 VanDerWaalsContact C-N 3.31Å; L228-L243 HydrophobicContact CD1-CD1 3.47Å; L228-L243 VanDerWaalsContact CD1-CD1 3.47Å; L228-L243 HydrophobicContact CD2-CD1 3.84Å; L228-L243 HydrophobicContact CG-CD1 3.67Å; L228-W268 HydrophobicContact CD2-CH2 4.38Å
229V90Very high95.2Very high44 Ų4436.6 Ų36.627%0.26718%0.179SC..G310 helixtrans-97.97.2179.2-65.70000113.2A4 D5 N7 D226 F227 K231A4-V229 CarbonylContact C-O 3.5Å; A4-V229 WeakPolarHBondContact CA-O 3.38Å; A4-V229 HydrophobicContact CB-CB 4.29Å; A4-V229 HydrophobicContact CB-CG2 3.89Å; D5-V229 PolarHBondContact N-O 3.48Å; D5-V229 WeakPolarHBondContact O-CB 3.44Å; D5-V229 WeakPolarHBondContact O-CG1 3.48Å; N7-V229 HydrophobicContact CB-CG1 3.88Å; D226-V229 WeakPolarHBondContact O-CG2 3.43Å; F227-V229 PolarHBondContact O-N 3.4Å; F227-V229 VanDerWaalsContact O-N 3.15Å; V229-K231 PolarHBondContact O-N 3.08Å
230Y93.4Very high95Very high10 Ų1038.3 Ų38.34%0.03920%0.196CC..EExtended strand (participates in β ladder)trans-58.4134.6177.5175.6-91.5000111.7V2 F227 G233 Y235 W272 F278 K279V2-Y230 HydrophobicContact CG1-CD2 4.31Å; F227-Y230 WeakPolarHBondContact O-CB 3.47Å; F227-Y230 PolarHBondContact O-N 3.4Å; Y230-G233 VanDerWaalsContact CE2-O 3.29Å; Y230-G233 WeakPolarHBondContact CE2-O 3.48Å; Y230-G233 PolarHBondContact OH-O 3.26Å; Y230-Y235 HydrophobicContact CD2-CD2 4.43Å; Y230-W272 AromaticContact CD1-CH2 3.7Å; Y230-W272 HydrophobicContact CD1-CH2 3.7Å; Y230-W272 AromaticContact CD1-CZ2 3.98Å; Y230-W272 HydrophobicContact CD1-CZ2 3.98Å; Y230-W272 HydrophobicContact CD1-CZ3 4.29Å; Y230-W272 HydrophobicContact CE1-CH2 4.39Å; Y230-W272 HydrophobicContact CG-CH2 4.41Å; Y230-W272 HydrophobicContact CG-CZ2 4.43Å; Y230-F278 HydrophobicContact CD1-CB 3.86Å; Y230-F278 HydrophobicContact CE1-CB 3.28Å; Y230-F278 HydrophobicContact CE2-CB 4.49Å; Y230-K279 PolarHBondContact OH-N 3.01Å; Y230-K279 VanDerWaalsContact OH-N 3.15Å
231K90.8Very high94.8Very high91 Ų9140.8 Ų40.840%0.39621%0.214SC..EExtended strand (participates in β ladder)trans-123.9-50.1174.6-172.1169.4-176.5172.30112.9K3 D5 V229 G273 D274K3-K231 WeakPolarHBondContact O-CB 3.19Å; K3-K231 PolarHBondContact O-N 3.07Å; D5-K231 HydrophobicContact CB-CB 4.49Å; D5-K231 HydrophobicContact CB-CD 3.76Å; D5-K231 IonicContact OD2-NZ 2.65Å; D5-K231 PolarHBondContact OD2-NZ 3.22Å; V229-K231 PolarHBondContact O-N 3.08Å; K231-G273 CarbonylContact O-C 3.4Å; K231-D274 PolarHBondContact O-N 3.49Å
232E94.2Very high94.7Very high72 Ų7242.5 Ų42.534%0.33623%0.226SC..EExtended strand (participates in β ladder)trans-159.8169.5-179.653.9165.6-105.700111.8V2 K3V2-E232 WeakPolarHBondContact CA-O 3.45Å; K3-E232 HydrophobicContact CB-CG 3.59Å; K3-E232 HydrophobicContact CD-CG 3.73Å; K3-E232 WeakPolarHBondContact CD-OE1 3.37Å; K3-E232 WeakPolarHBondContact CE-OE1 3.49Å; K3-E232 HydrophobicContact CG-CG 3.68Å; K3-E232 PolarHBondContact N-O 3.38Å; K3-E232 IonicContact NZ-OE1 2.97Å; K3-E232 PolarHBondContact NZ-OE1 3.08Å; K3-E232 IonicContact NZ-OE2 2.62Å; K3-E232 PolarHBondContact NZ-OE2 3.14Å; K3-E232 PolarHBondContact O-N 2.72Å
233G96.9Very high94.6Very high5 Ų542.5 Ų42.55%0.05223%0.226CC..SBendtrans88.1-171.6-177.700000112.9Y230Y230-G233 VanDerWaalsContact CE2-O 3.29Å; Y230-G233 WeakPolarHBondContact CE2-O 3.48Å; Y230-G233 PolarHBondContact OH-O 3.26Å
234V98.4Very high94.5Very high9 Ų943.1 Ų43.16%0.05523%0.233CC..EExtended strand (participates in β ladder)trans-93.4100.8-177.6-174.60000110.9V2 E256 V259 Y261 K279 L281V2-V234 VanDerWaalsContact CG2-C 3.47Å; V2-V234 WeakPolarHBondContact CG2-O 3.4Å; V234-E256 HydrophobicContact CG2-CB 3.98Å; V234-V259 HydrophobicContact CB-CG1 4.08Å; V234-V259 HydrophobicContact CG1-CG1 3.79Å; V234-V259 HydrophobicContact CG2-CB 4.43Å; V234-V259 HydrophobicContact CG2-CG1 4.36Å; V234-Y261 HydrophobicContact CG2-CD1 3.89Å; V234-Y261 HydrophobicContact CG2-CG 4.15Å; V234-K279 HydrophobicContact CG2-CB 4.33Å; V234-L281 HydrophobicContact CG1-CB 4.37Å
235Y98.3Very high94.5Very high6 Ų640.7 Ų40.72%0.02423%0.225CC..EExtended strand (participates in β ladder)trans-57135.6179.9175.3-106.5000111.8D226 F227 Y230 K279 I280 L281D226-Y235 PolarHBondContact OD1-OH 2.8Å; D226-Y235 VanDerWaalsContact OD1-OH 3.08Å; F227-Y235 HydrophobicContact CB-CE1 4.41Å; F227-Y235 HydrophobicContact CB-CE2 3.9Å; F227-Y235 AromaticContact CD2-CD1 3.73Å; F227-Y235 HydrophobicContact CD2-CD1 3.73Å; F227-Y235 AromaticContact CD2-CD2 3.91Å; F227-Y235 HydrophobicContact CD2-CD2 3.91Å; F227-Y235 AromaticContact CD2-CE1 3.72Å; F227-Y235 HydrophobicContact CD2-CE1 3.72Å; F227-Y235 AromaticContact CD2-CE2 3.88Å; F227-Y235 HydrophobicContact CD2-CE2 3.88Å; F227-Y235 AromaticContact CD2-CG 3.84Å; F227-Y235 HydrophobicContact CD2-CG 3.84Å; F227-Y235 AromaticContact CD2-CZ 3.8Å; F227-Y235 HydrophobicContact CE2-CD1 4.18Å; F227-Y235 HydrophobicContact CE2-CE1 4.5Å; F227-Y235 HydrophobicContact CE2-CG 4.31Å; F227-Y235 HydrophobicContact CG-CE1 4.47Å; F227-Y235 HydrophobicContact CG-CE2 4.42Å; Y230-Y235 HydrophobicContact CD2-CD2 4.43Å; Y235-K279 VanDerWaalsContact CB-O 3.27Å; Y235-K279 WeakPolarHBondContact CB-O 3.5Å; Y235-K279 PolarHBondContact N-O 3.3Å; Y235-I280 HydrophobicContact CD1-CD1 3.81Å; Y235-I280 HydrophobicContact CD1-CG1 3.87Å; Y235-I280 HydrophobicContact CE1-CD1 4.22Å; Y235-L281 PolarHBondContact O-N 2.8Å
236Q97.5Very high94.7Very high53 Ų5337.1 Ų37.125%0.24821%0.208CC..  trans-144.2131.2170-68.817426.100105.6K238 L281 E286Q236-K238 PolarHBondContact O-N 3.29Å; Q236-L281 HydrophobicContact CG-CB 3.76Å; Q236-L281 HydrophobicContact CG-CD2 3.88Å; Q236-L281 HydrophobicContact CG-CG 4.35Å; Q236-E286 WeakPolarHBondContact CA-OE1 3.35Å
237H97.1Very high94.9Very high54 Ų5436 Ų3625%0.2520%0.202CC..  trans-61.8136.6176.8174.358.2000110.3Y224 D226 T239 G240 E286Y224-H237 WeakPolarHBondContact CB-ND1 3.25Å; Y224-H237 AromaticContact CD1-CE1 3.34Å; Y224-H237 WeakPolarHBondContact CD1-CE1 3.08Å; Y224-H237 AromaticContact CD1-ND1 3.78Å; Y224-H237 AromaticContact CD1-NE2 3.62Å; Y224-H237 HydrophobicContact CD2-CB 4.3Å; Y224-H237 AromaticContact CD2-CG 3.92Å; Y224-H237 AromaticContact CD2-ND1 3.87Å; Y224-H237 AromaticContact CE1-NE2 3.8Å; Y224-H237 AromaticContact CG-CE1 3.49Å; Y224-H237 VanDerWaalsContact CG-CE1 3.49Å; Y224-H237 AromaticContact CG-CG 3.9Å; Y224-H237 AromaticContact CG-ND1 3.42Å; D226-H237 IonicContact OD1-CE1 3.05Å; D226-H237 IonicContact OD1-ND1 2.75Å; D226-H237 PolarHBondContact OD1-ND1 2.95Å; D226-H237 IonicContact OD2-CE1 3.86Å; D226-H237 IonicContact OD2-CG 3.35Å; D226-H237 IonicContact OD2-ND1 3.58Å; D226-H237 PolarHBondContact OD2-ND1 3.1Å; D226-H237 VanDerWaalsContact OD2-ND1 3.16Å; H237-T239 PolarHBondContact CE1-O 3.31Å; H237-T239 PolarHBondContact ND1-O 3.37Å; H237-G240 PolarHBondContact CE1-O 3.18Å; H237-E286 PolarHBondContact N-OE1 3.34Å
238K95.9Very high95.1Very high146 Ų14636.1 Ų36.164%0.63520%0.203SC*.  trans-128.5-38.4176.8-60.8-61.2170.3-153.80112.1D226 Q236D226-K238 PolarHBondContact OD2-N 3.17Å; Q236-K238 PolarHBondContact O-N 3.29Å
239T94.7Very high95.5Very high95 Ų9535.7 Ų35.758%0.58320%0.201SC*.SBendtrans-152.7159.6-170.559.30000112.2D226 H237D226-T239 VanDerWaalsContact CB-O 3.25Å; D226-T239 WeakPolarHBondContact CB-O 3.26Å; D226-T239 PolarHBondContact OD2-N 3.23Å; D226-T239 VanDerWaalsContact OD2-O 3.12Å; H237-T239 PolarHBondContact CE1-O 3.31Å; H237-T239 PolarHBondContact ND1-O 3.37Å
240G93.6Very high95.9Very high37 Ų3733.8 Ų33.838%0.38119%0.189SC..SBendtrans97160.6171.600000113.9E225 H237E225-G240 WeakPolarHBondContact OE2-CA 3.39Å; H237-G240 PolarHBondContact CE1-O 3.18Å
241S93.7Very high96.2Very high62 Ų6233.3 Ų33.343%0.43419%0.187SC..  trans-76.5155-175.3-51.10000111.7Y224 E225Y224-S241 VanDerWaalsContact CA-O 3.31Å; Y224-S241 WeakPolarHBondContact CA-O 3.49Å; E225-S241 VanDerWaalsContact CD-N 3.3Å; E225-S241 PolarHBondContact N-O 3.49Å; E225-S241 PolarHBondContact OE2-N 2.78Å
242S95.1Very high96.6Very high43 Ų4329 Ų2930%0.30117%0.168SC..EExtended strand (participates in β ladder)trans-70.7130.6171.2135.20000110.1E222E222-S242 VanDerWaalsContact OE1-CB 3.24Å; E222-S242 WeakPolarHBondContact OE1-CB 3.43Å; E222-S242 PolarHBondContact OE1-OG 3.44Å
243L93.9Very high96.8Very high3 Ų325.7 Ų25.72%0.01615%0.152CC..EExtended strand (participates in β ladder)trans-100.1-36-178.5-64.6174000111.4Y15 I18 R19 M22 V223 E225 L228Y15-L243 HydrophobicContact CD2-CD2 4.33Å; Y15-L243 HydrophobicContact CE2-CD2 3.39Å; I18-L243 HydrophobicContact CG2-CD1 3.93Å; I18-L243 HydrophobicContact CG2-CD2 4.27Å; R19-L243 HydrophobicContact CG-CD2 4.37Å; R19-L243 WeakPolarHBondContact CG-O 3.26Å; R19-L243 PolarHBondContact NE-O 3.46Å; M22-L243 HydrophobicContact CG-CB 4.25Å; V223-L243 HydrophobicContact CG1-CB 4.4Å; V223-L243 HydrophobicContact CG1-CD1 4.07Å; V223-L243 WeakPolarHBondContact O-CB 3.09Å; V223-L243 PolarHBondContact O-N 3.49Å; E225-L243 HydrophobicContact CG-CD1 4.21Å; E225-L243 HydrophobicContact CG-CD2 3.98Å; E225-L243 HydrophobicContact CG-CG 4.17Å; L228-L243 HydrophobicContact CD1-CD1 3.47Å; L228-L243 VanDerWaalsContact CD1-CD1 3.47Å; L228-L243 HydrophobicContact CD2-CD1 3.84Å; L228-L243 HydrophobicContact CG-CD1 3.67Å
244G94.1Very high96.9Very high13 Ų1325.4 Ų25.413%0.13415%0.15CC..EExtended strand (participates in β ladder)trans147.7-179.1176.700000112.3E222 V223E222-G244 VanDerWaalsContact CD-C 3.5Å; E222-G244 PolarHBondContact OE1-N 3.35Å; E222-G244 VanDerWaalsContact OE2-O 3.13Å; V223-G244 PolarHBondContact N-O 3.33Å
245G95.9Very high96.9Very high5 Ų527.8 Ų27.85%0.05216%0.164CC..EExtended strand (participates in β ladder)trans-80.6137.8178.200000111.8M22 G23 V24 F221 E222M22-G245 CarbonylContact C-O 3.56Å; M22-G245 WeakPolarHBondContact CA-O 3.49Å; M22-G245 WeakPolarHBondContact CB-O 3.36Å; G23-G245 PolarHBondContact N-O 2.81Å; V24-G245 WeakPolarHBondContact CB-O 3.49Å; V24-G245 PolarHBondContact N-O 3.31Å; F221-G245 WeakPolarHBondContact O-CA 3.47Å; E222-G245 PolarHBondContact OE2-N 3.26Å
246H97.2Very high96.9Very high0 Ų029.8 Ų29.80%017%0.174CC..EExtended strand (participates in β ladder)trans-128136.2177.9-172.151.2000110.3M22 C76 A220 F221 V223 V248 N266 W268M22-H246 HydrophobicContact SD-CB 3.9Å; C76-H246 WeakPolarHBondContact CB-CE1 3.41Å; C76-H246 VanDerWaalsContact CB-ND1 3.27Å; C76-H246 WeakPolarHBondContact CB-ND1 3.49Å; C76-H246 PolarHBondContact SG-ND1 3.41Å; A220-H246 CarbonylContact C-O 3.48Å; A220-H246 WeakPolarHBondContact CA-O 3.24Å; F221-H246 HydrophobicContact CE1-CB 4.17Å; F221-H246 AromaticContact CE1-CD2 3.87Å; F221-H246 PolarHBondContact N-O 2.92Å; F221-H246 PolarHBondContact O-N 3.36Å; V223-H246 HydrophobicContact CG2-CB 3.38Å; H246-V248 VanDerWaalsContact CD2-CG1 3.49Å; H246-V248 WeakPolarHBondContact CD2-CG1 3.22Å; H246-N266 PolarHBondContact NE2-OD1 2.48Å; H246-W268 AromaticContact CE1-CE2 3.86Å; H246-W268 AromaticContact CE1-CZ2 3.74Å; H246-W268 AromaticContact CE1-NE1 3.7Å; H246-W268 AromaticContact NE2-CE2 3.8Å; H246-W268 AromaticContact NE2-CZ2 3.61Å; H246-W268 AromaticContact NE2-NE1 3.99Å
247A97.8Very high96.8Very high0 Ų033.1 Ų33.10%019%0.193CC..EExtended strand (participates in β ladder)trans-101.7137.917900000109.8V24 C76 P122 E218 V219V24-A247 HydrophobicContact CG2-CB 3.59Å; V24-A247 VanDerWaalsContact CG2-N 3.35Å; C76-A247 HydrophobicContact CB-CB 4.37Å; C76-A247 PolarHBondContact SG-N 2.83Å; P122-A247 HydrophobicContact CG-CB 4.24Å; E218-A247 HydrophobicContact CG-CB 4.4Å; V219-A247 CarbonylContact O-C 3.54Å; V219-A247 WeakPolarHBondContact O-CA 3.4Å
248V98.4Very high96.8Very high2 Ų239.5 Ų39.51%0.01222%0.223CC..EExtended strand (participates in β ladder)trans-144.9167.8-174.4-70.60000109.6V219 F221 H246 L264 F278 I289V219-V248 HydrophobicContact CG2-CG2 3.68Å; V219-V248 PolarHBondContact N-O 3.06Å; V219-V248 PolarHBondContact O-N 2.97Å; V219-V248 VanDerWaalsContact O-O 3.12Å; F221-V248 HydrophobicContact CD1-CG2 3.95Å; F221-V248 HydrophobicContact CE1-CG1 3.87Å; F221-V248 HydrophobicContact CE1-CG2 3.87Å; H246-V248 VanDerWaalsContact CD2-CG1 3.49Å; H246-V248 WeakPolarHBondContact CD2-CG1 3.22Å; V248-L264 HydrophobicContact CB-CD2 4.38Å; V248-L264 HydrophobicContact CG2-CD2 3.46Å; V248-L264 VanDerWaalsContact CG2-CD2 3.46Å; V248-F278 HydrophobicContact CB-CE1 4.31Å; V248-F278 HydrophobicContact CB-CZ 4.36Å; V248-F278 HydrophobicContact CG1-CE1 3.99Å; V248-F278 HydrophobicContact CG1-CZ 4.13Å; V248-F278 HydrophobicContact CG2-CE1 4.48Å; V248-F278 HydrophobicContact CG2-CZ 4.06Å; V248-I289 HydrophobicContact CG2-CD1 4.33Å
249R98.8Very high96.9Very high0 Ų034.6 Ų34.60%021%0.206CC..EExtended strand (participates in β ladder)trans-102.1118.7179.8179.2174.154.8124.68.5110.7T63 I64 E66 E83 A84 D87 P216 M217 L264 A265T63-R249 PolarHBondContact O-NH1 2.8Å; I64-R249 VanDerWaalsContact CA-NH1 3.31Å; I64-R249 PolarHBondContact O-NH1 3.32Å; I64-R249 PolarHBondContact O-NH2 2.98Å; I64-R249 VanDerWaalsContact O-NH2 3.13Å; E66-R249 PolarHBondContact O-NH2 2.91Å; E83-R249 IonicContact OE2-NE 2.66Å; E83-R249 PolarHBondContact OE2-NE 3.46Å; A84-R249 HydrophobicContact CB-CG 4.34Å; D87-R249 IonicContact OD1-NH1 2.78Å; D87-R249 PolarHBondContact OD1-NH1 3.34Å; D87-R249 VanDerWaalsContact OD2-CD 3.31Å; D87-R249 WeakPolarHBondContact OD2-CD 3.46Å; D87-R249 IonicContact OD2-CZ 2.82Å; D87-R249 IonicContact OD2-NE 3.38Å; D87-R249 IonicContact OD2-NH1 3.26Å; D87-R249 PolarHBondContact OD2-NH1 3.25Å; P216-R249 HydrophobicContact CB-CG 3.9Å; M217-R249 CarbonylContact O-C 3.56Å; M217-R249 WeakPolarHBondContact O-CA 3.2Å; R249-L264 CarbonylContact O-C 3.57Å; R249-L264 VanDerWaalsContact O-CA 3.28Å; R249-L264 WeakPolarHBondContact O-CA 3.43Å; R249-A265 HydrophobicContact CB-CB 4.43Å; R249-A265 PolarHBondContact N-O 3.47Å; R249-A265 PolarHBondContact O-N 3.24Å
250L98.9Very high97.1Very high3 Ų332.1 Ų32.12%0.01619%0.191CC..EExtended strand (participates in β ladder)trans-81.8128.1172.9179.866000109.8I207 L211 P216 M217 V219 W262 L264I207-L250 HydrophobicContact CG2-CD2 3.36Å; L211-L250 HydrophobicContact CD1-CD2 4.29Å; L211-L250 HydrophobicContact CD1-CG 3.99Å; L211-L250 WeakPolarHBondContact CD1-O 3.46Å; P216-L250 WeakPolarHBondContact CA-O 3.25Å; P216-L250 WeakPolarHBondContact CB-O 3.43Å; M217-L250 HydrophobicContact CE-CD2 4.45Å; M217-L250 HydrophobicContact CG-CB 4.15Å; M217-L250 HydrophobicContact CG-CD2 4.25Å; M217-L250 PolarHBondContact N-O 2.84Å; M217-L250 VanDerWaalsContact N-O 3.08Å; M217-L250 PolarHBondContact O-N 3.41Å; M217-L250 HydrophobicContact SD-CD2 4.39Å; V219-L250 HydrophobicContact CG1-CB 3.94Å; V219-L250 HydrophobicContact CG1-CD2 4.1Å; V219-L250 HydrophobicContact CG2-CB 4.11Å; L250-W262 HydrophobicContact CD1-CB 3.66Å; L250-W262 HydrophobicContact CD1-CD2 3.96Å; L250-W262 HydrophobicContact CD1-CE3 3.75Å; L250-W262 HydrophobicContact CD1-CG 3.98Å; L250-W262 HydrophobicContact CD2-CD2 4.4Å; L250-W262 HydrophobicContact CD2-CE3 4.09Å; L250-W262 HydrophobicContact CD2-CZ3 4.26Å; L250-W262 HydrophobicContact CG-CE3 4.43Å; L250-L264 HydrophobicContact CB-CD2 4.36Å; L250-L264 HydrophobicContact CD1-CD1 4.44Å; L250-L264 HydrophobicContact CD1-CD2 4.18Å; L250-L264 HydrophobicContact CD1-CG 3.95Å
251L98.4Very high97.3Very high0 Ų032 Ų320%018%0.179CC..EExtended strand (participates in β ladder)trans-135.9-2.8-17667.4112000115.2A54 R55 P216 L263 A265 F277A54-L251 HydrophobicContact CB-CB 4.26Å; A54-L251 WeakPolarHBondContact CB-O 3.41Å; A54-L251 PolarHBondContact N-O 3.13Å; R55-L251 HydrophobicContact CG-CD1 4.23Å; P216-L251 HydrophobicContact CB-CB 4.34Å; P216-L251 HydrophobicContact CG-CB 4.1Å; L251-L263 HydrophobicContact CD1-CD2 3.61Å; L251-L263 HydrophobicContact CD1-CG 3.9Å; L251-L263 HydrophobicContact CG-CD2 4.34Å; L251-L263 HydrophobicContact CG-CG 4.12Å; L251-L263 PolarHBondContact N-O 3.47Å; L251-A265 HydrophobicContact CD2-CB 3.6Å; L251-F277 HydrophobicContact CD1-CE1 4.42Å; L251-F277 HydrophobicContact CD2-CD1 4.01Å; L251-F277 HydrophobicContact CD2-CE1 3.89Å
252G98.9Very high97.6Very high0 Ų029.1 Ų29.10%016%0.159CC..EExtended strand (participates in β ladder)trans-174.6-174.1176.800000114.9F52 L263F52-G252 CarbonylContact O-C 3.45Å; F52-G252 WeakPolarHBondContact O-CA 2.93Å; G252-L263 PolarHBondContact N-O 3.18Å; G252-L263 PolarHBondContact O-N 2.89Å
253W98.9Very high97.7Very high3 Ų327.7 Ų27.71%0.01115%0.148CC..EExtended strand (participates in β ladder)trans-153.4168.4170.466.789.4000110.9I48 P49 E50 S51 F52 Q208 L211 I212 Y261 W262I48-W253 HydrophobicContact CG2-CH2 4.28Å; I48-W253 HydrophobicContact CG2-CZ2 3.54Å; P49-W253 HydrophobicContact CG-CZ2 4Å; P49-W253 PolarHBondContact O-NE1 3.33Å; E50-W253 PolarHBondContact O-NE1 3.2Å; S51-W253 WeakPolarHBondContact CA-O 3.33Å; F52-W253 HydrophobicContact CB-CD2 3.7Å; F52-W253 VanDerWaalsContact CB-CE2 3.49Å; F52-W253 HydrophobicContact CB-CE3 3.75Å; F52-W253 HydrophobicContact CB-CH2 3.54Å; F52-W253 HydrophobicContact CB-CZ2 3.41Å; F52-W253 VanDerWaalsContact CB-CZ2 3.41Å; F52-W253 HydrophobicContact CB-CZ3 3.68Å; F52-W253 HydrophobicContact CD1-CE3 4.14Å; F52-W253 HydrophobicContact CD1-CH2 4.18Å; F52-W253 AromaticContact CD1-CZ3 3.76Å; F52-W253 HydrophobicContact CD1-CZ3 3.76Å; F52-W253 HydrophobicContact CD2-CH2 4.34Å; F52-W253 HydrophobicContact CG-CE3 4.26Å; F52-W253 AromaticContact CG-CH2 3.78Å; F52-W253 HydrophobicContact CG-CH2 3.78Å; F52-W253 HydrophobicContact CG-CZ2 4.14Å; F52-W253 AromaticContact CG-CZ3 3.82Å; F52-W253 HydrophobicContact CG-CZ3 3.82Å; F52-W253 PolarHBondContact N-O 2.97Å; F52-W253 PolarHBondContact O-N 3.29Å; Q208-W253 HydrophobicContact CB-CE3 4.34Å; Q208-W253 HydrophobicContact CB-CH2 3.62Å; Q208-W253 HydrophobicContact CB-CZ2 4.05Å; Q208-W253 HydrophobicContact CB-CZ3 3.81Å; Q208-W253 HydrophobicContact CG-CD2 3.85Å; Q208-W253 HydrophobicContact CG-CE3 3.81Å; Q208-W253 HydrophobicContact CG-CG 4.49Å; Q208-W253 HydrophobicContact CG-CH2 3.87Å; Q208-W253 HydrophobicContact CG-CZ2 4.01Å; Q208-W253 HydrophobicContact CG-CZ3 3.8Å; Q208-W253 VanDerWaalsContact NE2-CE2 3.31Å; Q208-W253 VanDerWaalsContact NE2-NE1 3.19Å; L211-W253 HydrophobicContact CB-CZ3 4.05Å; L211-W253 HydrophobicContact CD2-CE3 3.75Å; L211-W253 HydrophobicContact CD2-CZ3 3.55Å; L211-W253 HydrophobicContact CG-CZ3 4.44Å; I212-W253 HydrophobicContact CD1-CH2 3.59Å; I212-W253 HydrophobicContact CD1-CZ2 4.09Å; I212-W253 HydrophobicContact CG1-CH2 3.61Å; I212-W253 HydrophobicContact CG1-CZ2 4.44Å; I212-W253 HydrophobicContact CG1-CZ3 4.44Å; W253-Y261 WeakPolarHBondContact CA-O 3.24Å; W253-Y261 WeakPolarHBondContact CB-O 3.19Å; W253-W262 HydrophobicContact CB-CE3 3.79Å; W253-W262 HydrophobicContact CB-CZ3 4.04Å; W253-W262 HydrophobicContact CD2-CZ3 4.45Å; W253-W262 HydrophobicContact CE3-CZ3 4Å
254G98.8Very high98Very high0 Ų027.6 Ų27.60%015%0.147CC..EExtended strand (participates in β ladder)trans-171.1-158.6170.600000111.7P260 Y261 R282G254-P260 WeakPolarHBondContact O-CA 3.49Å; G254-Y261 VanDerWaalsContact C-CE1 3.43Å; G254-Y261 VanDerWaalsContact CA-CZ 3.48Å; G254-Y261 VanDerWaalsContact N-CE2 3.34Å; G254-Y261 PolarHBondContact N-O 3.47Å; G254-Y261 VanDerWaalsContact N-O 3.11Å; G254-Y261 PolarHBondContact O-N 3.46Å; G254-R282 PolarHBondContact O-NH2 3.02Å
255V98.6Very high98.2Very high59 Ų5927 Ų2736%0.35814%0.141SC..EExtended strand (participates in β ladder)trans-133.1130.5172.8-179.10000107.8E50 V259E50-V255 HydrophobicContact CG-CG2 3.85Å; V255-V259 WeakPolarHBondContact CA-O 3.3Å
256E97.8Very high98.3Very high48 Ų4826.8 Ų26.822%0.22414%0.138CC..EExtended strand (participates in β ladder)trans-128.1118.5175.3-175.7-174.9117.700108.8V234 E258 V259 Y261 K279V234-E256 HydrophobicContact CG2-CB 3.98Å; E256-E258 VanDerWaalsContact C-N 3.31Å; E256-E258 PolarHBondContact O-N 2.89Å; E256-V259 PolarHBondContact N-O 2.87Å; E256-V259 WeakPolarHBondContact O-CB 3.41Å; E256-V259 PolarHBondContact O-N 3.02Å; E256-Y261 HydrophobicContact CB-CD1 3.92Å; E256-Y261 HydrophobicContact CB-CE1 3.82Å; E256-K279 IonicContact OE2-NZ 3.02Å; E256-K279 PolarHBondContact OE2-NZ 3.12Å
257N96Very high98.3Very high122 Ų12226.9 Ų26.965%0.65214%0.139SC*.THydrogen-bonded Turntrans50.450.5-175.9-54.4-58.8000112.1V259N257-V259 PolarHBondContact O-N 3.38Å; N257-V259 VanDerWaalsContact O-N 3.07Å
258E96.9Very high98.2Very high189 Ų18926.9 Ų26.988%0.88314%0.139SC*.THydrogen-bonded Turntrans65.42-177-50.9-177.2121.700115.4E256E256-E258 VanDerWaalsContact C-N 3.31Å; E256-E258 PolarHBondContact O-N 2.89Å
259V98.2Very high98Very high43 Ų4327.2 Ų27.226%0.26114%0.141SC..EExtended strand (participates in β ladder)trans-95.8116.9177.7-1730000110.1V234 V255 E256 N257 L281V234-V259 HydrophobicContact CB-CG1 4.08Å; V234-V259 HydrophobicContact CG1-CG1 3.79Å; V234-V259 HydrophobicContact CG2-CB 4.43Å; V234-V259 HydrophobicContact CG2-CG1 4.36Å; V255-V259 WeakPolarHBondContact CA-O 3.3Å; E256-V259 PolarHBondContact N-O 2.87Å; E256-V259 WeakPolarHBondContact O-CB 3.41Å; E256-V259 PolarHBondContact O-N 3.02Å; N257-V259 PolarHBondContact O-N 3.38Å; N257-V259 VanDerWaalsContact O-N 3.07Å; V259-L281 HydrophobicContact CG1-CD1 3.66Å
260P98.6Very high97.8Very high42 Ų4231.2 Ų31.227%0.27317%0.165SC..EExtended strand (participates in β ladder)trans-68.6138.6174.529.2-34.1000110.6G254 L281 R282G254-P260 WeakPolarHBondContact O-CA 3.49Å; P260-L281 HydrophobicContact CG-CD1 4.32Å; P260-L281 WeakPolarHBondContact O-CD1 3.48Å; P260-R282 HydrophobicContact CB-CB 4.43Å; P260-R282 VanDerWaalsContact CB-NH2 3.33Å; P260-R282 WeakPolarHBondContact CG-O 3.49Å; P260-R282 PolarHBondContact O-N 2.99Å; P260-R282 VanDerWaalsContact O-N 3.07Å
261Y98.9Very high97.5Very high34 Ų3433.6 Ų33.613%0.13318%0.177CC..EExtended strand (participates in β ladder)trans-135.9157.5179.666.7-101.2000113.2V234 W253 G254 E256 L263 K279 I280 R282V234-Y261 HydrophobicContact CG2-CD1 3.89Å; V234-Y261 HydrophobicContact CG2-CG 4.15Å; W253-Y261 WeakPolarHBondContact CA-O 3.24Å; W253-Y261 WeakPolarHBondContact CB-O 3.19Å; G254-Y261 VanDerWaalsContact C-CE1 3.43Å; G254-Y261 VanDerWaalsContact CA-CZ 3.48Å; G254-Y261 VanDerWaalsContact N-CE2 3.34Å; G254-Y261 PolarHBondContact N-O 3.47Å; G254-Y261 VanDerWaalsContact N-O 3.11Å; G254-Y261 PolarHBondContact O-N 3.46Å; E256-Y261 HydrophobicContact CB-CD1 3.92Å; E256-Y261 HydrophobicContact CB-CE1 3.82Å; Y261-L263 HydrophobicContact CD2-CB 4.45Å; Y261-L263 HydrophobicContact CE2-CB 4.16Å; Y261-K279 HydrophobicContact CD1-CD 4.15Å; Y261-K279 HydrophobicContact CD2-CB 4.01Å; Y261-K279 HydrophobicContact CD2-CD 3.96Å; Y261-K279 HydrophobicContact CD2-CG 3.68Å; Y261-K279 HydrophobicContact CE1-CD 4.14Å; Y261-K279 HydrophobicContact CE2-CD 3.98Å; Y261-K279 HydrophobicContact CE2-CG 3.97Å; Y261-K279 HydrophobicContact CG-CB 4.05Å; Y261-K279 HydrophobicContact CG-CD 4.06Å; Y261-K279 HydrophobicContact CG-CG 4.08Å; Y261-I280 CarbonylContact C-O 3.32Å; Y261-I280 WeakPolarHBondContact CA-O 3.01Å; Y261-I280 WeakPolarHBondContact CB-O 3.42Å; Y261-R282 PolarHBondContact O-NE 2.04Å
262W98.9Very high97.1Very high3 Ų333.7 Ų33.71%0.01118%0.177CC..EExtended strand (participates in β ladder)trans-92.7142157.7-67.8120.6000109.8P204 I207 Q208 L250 W253 L264 K279 I280 R282 E290P204-W262 HydrophobicContact CB-CZ2 4.05Å; I207-W262 HydrophobicContact CB-CH2 3.78Å; I207-W262 HydrophobicContact CB-CZ2 4.15Å; I207-W262 HydrophobicContact CD1-CZ2 4.36Å; I207-W262 HydrophobicContact CG2-CH2 3.46Å; I207-W262 VanDerWaalsContact CG2-CH2 3.46Å; I207-W262 HydrophobicContact CG2-CZ2 3.91Å; I207-W262 HydrophobicContact CG2-CZ3 3.97Å; Q208-W262 HydrophobicContact CG-CH2 3.59Å; Q208-W262 HydrophobicContact CG-CZ3 3.75Å; L250-W262 HydrophobicContact CD1-CB 3.66Å; L250-W262 HydrophobicContact CD1-CD2 3.96Å; L250-W262 HydrophobicContact CD1-CE3 3.75Å; L250-W262 HydrophobicContact CD1-CG 3.98Å; L250-W262 HydrophobicContact CD2-CD2 4.4Å; L250-W262 HydrophobicContact CD2-CE3 4.09Å; L250-W262 HydrophobicContact CD2-CZ3 4.26Å; L250-W262 HydrophobicContact CG-CE3 4.43Å; W253-W262 HydrophobicContact CB-CE3 3.79Å; W253-W262 HydrophobicContact CB-CZ3 4.04Å; W253-W262 HydrophobicContact CD2-CZ3 4.45Å; W253-W262 HydrophobicContact CE3-CZ3 4Å; W262-L264 HydrophobicContact CB-CD1 3.74Å; W262-K279 WeakPolarHBondContact O-CA 3.04Å; W262-I280 HydrophobicContact CB-CG2 3.93Å; W262-I280 PolarHBondContact N-O 2.98Å; W262-I280 PolarHBondContact O-N 2.79Å; W262-R282 HydrophobicContact CD2-CB 4.05Å; W262-R282 HydrophobicContact CD2-CG 3.87Å; W262-R282 VanDerWaalsContact CE2-CD 3.41Å; W262-R282 HydrophobicContact CE3-CG 4.48Å; W262-R282 HydrophobicContact CG-CB 3.91Å; W262-R282 HydrophobicContact CG-CG 4.26Å; W262-R282 HydrophobicContact CH2-CG 4.33Å; W262-R282 VanDerWaalsContact CZ2-CD 3.48Å; W262-R282 HydrophobicContact CZ2-CG 3.64Å; W262-E290 HydrophobicContact CZ2-CG 4.46Å; W262-E290 PolarHBondContact NE1-OE1 2.73Å
263L98.9Very high96.8Very high13 Ų1334.6 Ų34.67%0.06819%0.187CC..EExtended strand (participates in β ladder)trans-103.8124.2174.1174.365000109.1L251 G252 Y261 F277 K279L251-L263 HydrophobicContact CD1-CD2 3.61Å; L251-L263 HydrophobicContact CD1-CG 3.9Å; L251-L263 HydrophobicContact CG-CD2 4.34Å; L251-L263 HydrophobicContact CG-CG 4.12Å; L251-L263 PolarHBondContact N-O 3.47Å; G252-L263 PolarHBondContact N-O 3.18Å; G252-L263 PolarHBondContact O-N 2.89Å; Y261-L263 HydrophobicContact CD2-CB 4.45Å; Y261-L263 HydrophobicContact CE2-CB 4.16Å; L263-F277 HydrophobicContact CD1-CB 4.3Å; L263-K279 HydrophobicContact CD1-CG 4.31Å
264L98.8Very high96.6Very high0 Ų038 Ų380%021%0.205CC..EExtended strand (participates in β ladder)trans-130150.5-174.1-58100.7000111.8V219 V248 R249 L250 W262 F277 F278 I280 I289V219-L264 HydrophobicContact CG2-CD2 3.56Å; V248-L264 HydrophobicContact CB-CD2 4.38Å; V248-L264 HydrophobicContact CG2-CD2 3.46Å; V248-L264 VanDerWaalsContact CG2-CD2 3.46Å; R249-L264 CarbonylContact O-C 3.57Å; R249-L264 VanDerWaalsContact O-CA 3.28Å; R249-L264 WeakPolarHBondContact O-CA 3.43Å; L250-L264 HydrophobicContact CB-CD2 4.36Å; L250-L264 HydrophobicContact CD1-CD1 4.44Å; L250-L264 HydrophobicContact CD1-CD2 4.18Å; L250-L264 HydrophobicContact CD1-CG 3.95Å; W262-L264 HydrophobicContact CB-CD1 3.74Å; L264-F277 VanDerWaalsContact O-CA 3.23Å; L264-F277 WeakPolarHBondContact O-CA 3.27Å; L264-F277 WeakPolarHBondContact O-CB 3.18Å; L264-F278 HydrophobicContact CB-CD1 3.93Å; L264-F278 HydrophobicContact CB-CE1 3.47Å; L264-F278 VanDerWaalsContact CB-CE1 3.47Å; L264-F278 HydrophobicContact CB-CE2 4.21Å; L264-F278 HydrophobicContact CB-CG 4.49Å; L264-F278 HydrophobicContact CB-CZ 3.64Å; L264-F278 HydrophobicContact CD1-CD2 4.29Å; L264-F278 HydrophobicContact CD1-CE2 3.85Å; L264-F278 HydrophobicContact CD1-CZ 4.04Å; L264-F278 HydrophobicContact CD2-CZ 4.04Å; L264-F278 HydrophobicContact CG-CE1 4.43Å; L264-F278 HydrophobicContact CG-CE2 4.43Å; L264-F278 HydrophobicContact CG-CZ 4.11Å; L264-F278 PolarHBondContact N-O 3.02Å; L264-F278 PolarHBondContact O-N 3.39Å; L264-I280 HydrophobicContact CD1-CB 4.42Å; L264-I280 HydrophobicContact CD1-CG2 3.44Å; L264-I280 VanDerWaalsContact CD1-CG2 3.44Å; L264-I289 HydrophobicContact CD2-CD1 3.84Å; L264-I289 HydrophobicContact CD2-CG1 4.42Å
265A98.8Very high96.5Very high0 Ų045.3 Ų45.30%024%0.237CC..EExtended strand (participates in β ladder)trans-98.9128.1167.300000108.7I67 R249 L251 F277I67-A265 HydrophobicContact CD1-CB 3.5Å; I67-A265 VanDerWaalsContact CD1-CB 3.5Å; R249-A265 HydrophobicContact CB-CB 4.43Å; R249-A265 PolarHBondContact N-O 3.47Å; R249-A265 PolarHBondContact O-N 3.24Å; L251-A265 HydrophobicContact CD2-CB 3.6Å; A265-F277 HydrophobicContact CB-CD1 4.14Å; A265-F277 HydrophobicContact CB-CE1 4.05Å
266N97.7Very high96.4Very high1 Ų142.5 Ų42.51%0.00522%0.22CC..  trans-89.7170172.7-157.6-0.8000110.4H246 W272 G276 F278H246-N266 PolarHBondContact NE2-OD1 2.48Å; N266-W272 HydrophobicContact CB-CE3 3.83Å; N266-W272 HydrophobicContact CB-CH2 4.46Å; N266-W272 HydrophobicContact CB-CZ3 3.64Å; N266-W272 VanDerWaalsContact ND2-CE3 3.3Å; N266-W272 VanDerWaalsContact ND2-CH2 3.35Å; N266-W272 WeakPolarHBondContact ND2-CH2 3.46Å; N266-W272 WeakPolarHBondContact ND2-CZ3 3Å; N266-G276 WeakPolarHBondContact CB-O 3.22Å; N266-G276 PolarHBondContact N-O 2.95Å; N266-F278 HydrophobicContact CB-CD1 4.13Å; N266-F278 HydrophobicContact CB-CE1 4.16Å
267S97.2Very high96.4Very high2 Ų241.1 Ų41.11%0.01421%0.213CC..SBendtrans-110.229.5-179.847.20000112.3R68 D69 Q70R68-S267 CarbonylContact O-C 3.11Å; R68-S267 VanDerWaalsContact O-C 3.23Å; R68-S267 WeakPolarHBondContact O-CA 3.15Å; D69-S267 CarbonylContact C-O 3.6Å; D69-S267 WeakPolarHBondContact CA-O 3.47Å; Q70-S267 PolarHBondContact N-O 2.78Å; Q70-S267 PolarHBondContact OE1-OG 3.02Å
268W95Very high96.5Very high0 Ų035.3 Ų35.30%018%0.182CC..BIsolated β-bridgetrans-120.441.8-177.3-60.3-20000111.8M22 H156 F227 L228 H246 W272M22-W268 HydrophobicContact CE-CH2 3.77Å; M22-W268 HydrophobicContact CE-CZ2 3.51Å; M22-W268 HydrophobicContact SD-CZ2 4.28Å; H156-W268 HydrophobicContact CB-CB 3.86Å; H156-W268 HydrophobicContact CB-CG 4.28Å; H156-W268 AromaticContact CG-CG 3.94Å; F227-W268 HydrophobicContact CD1-CH2 4.19Å; F227-W268 HydrophobicContact CD1-CZ3 4.21Å; F227-W268 AromaticContact CE1-CH2 3.96Å; F227-W268 HydrophobicContact CE1-CH2 3.96Å; F227-W268 AromaticContact CE1-CZ3 3.86Å; F227-W268 HydrophobicContact CE1-CZ3 3.86Å; L228-W268 HydrophobicContact CD2-CH2 4.38Å; H246-W268 AromaticContact CE1-CE2 3.86Å; H246-W268 AromaticContact CE1-CZ2 3.74Å; H246-W268 AromaticContact CE1-NE1 3.7Å; H246-W268 AromaticContact NE2-CE2 3.8Å; H246-W268 AromaticContact NE2-CZ2 3.61Å; H246-W268 AromaticContact NE2-NE1 3.99Å; W268-W272 HydrophobicContact CB-CB 4.17Å; W268-W272 HydrophobicContact CB-CG 4.26Å; W268-W272 AromaticContact CE3-CD1 3.77Å; W268-W272 AromaticContact CE3-CD2 3.9Å; W268-W272 HydrophobicContact CE3-CD2 3.9Å; W268-W272 AromaticContact CE3-CE2 3.59Å; W268-W272 HydrophobicContact CE3-CG 4.02Å; W268-W272 HydrophobicContact CE3-CZ2 4.13Å; W268-W272 AromaticContact CE3-NE1 3.5Å; W268-W272 AromaticContact CZ3-CE2 3.79Å; W268-W272 AromaticContact CZ3-CZ2 3.95Å; W268-W272 HydrophobicContact CZ3-CZ2 3.95Å; W268-W272 AromaticContact CZ3-NE1 3.71Å; W268-W272 WeakPolarHBondContact O-CB 3.36Å
269N94.7Very high96.6Very high9 Ų928.1 Ų28.15%0.04815%0.148CC..THydrogen-bonded Turntrans57.3178.3-178.771.759.8000116I67 R68 D69 C154 L162 E271 G276I67-N269 VanDerWaalsContact CG2-C 3.44Å; I67-N269 WeakPolarHBondContact CG2-O 2.95Å; R68-N269 PolarHBondContact O-N 3.34Å; D69-N269 HydrophobicContact CB-CB 4Å; D69-N269 WeakPolarHBondContact OD2-CB 3.14Å; D69-N269 PolarHBondContact OD2-ND2 3.49Å; C154-N269 PolarHBondContact O-ND2 2.87Å; L162-N269 HydrophobicContact CD1-CB 4.18Å; L162-N269 WeakPolarHBondContact CD1-ND2 3.25Å; N269-E271 VanDerWaalsContact C-N 3.31Å; N269-E271 WeakPolarHBondContact OD1-CB 3.42Å; N269-E271 PolarHBondContact OD1-N 3.24Å; N269-G276 WeakPolarHBondContact O-CA 3.38Å
270T94.7Very high96.6Very high84 Ų8426 Ų2652%0.51514%0.135SC..THydrogen-bonded Turntrans-80.8-7.1-174.350.60000114I67 K275I67-T270 HydrophobicContact CB-CG2 3.79Å; I67-T270 HydrophobicContact CG1-CG2 4.23Å; I67-T270 HydrophobicContact CG2-CG2 4.25Å; T270-K275 CarbonylContact O-C 3.55Å; T270-K275 VanDerWaalsContact O-C 3.32Å; T270-K275 WeakPolarHBondContact O-CA 3.05Å
271E92Very high96.6Very high54 Ų5425.3 Ų25.325%0.25213%0.129SC..THydrogen-bonded Turntrans-93.2-17-177.7-53.1-171.614700111.8H157 G160 T161 N269H157-E271 PolarHBondContact CD2-O 2.8Å; H157-E271 WeakPolarHBondContact CE1-CB 3.01Å; H157-E271 IonicContact CE1-OE2 2.76Å; H157-E271 PolarHBondContact CE1-OE2 3.25Å; H157-E271 VanDerWaalsContact NE2-CB 3.33Å; H157-E271 WeakPolarHBondContact NE2-CB 3.4Å; H157-E271 PolarHBondContact NE2-O 3.26Å; H157-E271 IonicContact NE2-OE2 3.33Å; G160-E271 WeakPolarHBondContact CA-OE2 3.41Å; T161-E271 WeakPolarHBondContact CB-OE1 3.49Å; T161-E271 PolarHBondContact N-OE1 3.08Å; T161-E271 PolarHBondContact N-OE2 2.83Å; T161-E271 PolarHBondContact OG1-OE1 3.02Å; N269-E271 VanDerWaalsContact C-N 3.31Å; N269-E271 WeakPolarHBondContact OD1-CB 3.42Å; N269-E271 PolarHBondContact OD1-N 3.24Å
272W91.6Very high96.6Very high1 Ų125.6 Ų25.60%0.00413%0.13CC..SBendtrans-79.1143.8170.1-178.189.6000112.5F227 Y230 N266 W268 G276 F278F227-W272 HydrophobicContact CD1-CZ2 4.28Å; F227-W272 AromaticContact CE1-CH2 3.81Å; F227-W272 HydrophobicContact CE1-CH2 3.81Å; F227-W272 AromaticContact CE1-CZ2 3.59Å; F227-W272 HydrophobicContact CE1-CZ2 3.59Å; F227-W272 HydrophobicContact CE2-CH2 4.1Å; F227-W272 HydrophobicContact CE2-CZ2 4.34Å; F227-W272 AromaticContact CZ-CH2 3.39Å; F227-W272 HydrophobicContact CZ-CH2 3.39Å; F227-W272 AromaticContact CZ-CZ2 3.63Å; F227-W272 HydrophobicContact CZ-CZ2 3.63Å; Y230-W272 AromaticContact CD1-CH2 3.7Å; Y230-W272 HydrophobicContact CD1-CH2 3.7Å; Y230-W272 AromaticContact CD1-CZ2 3.98Å; Y230-W272 HydrophobicContact CD1-CZ2 3.98Å; Y230-W272 HydrophobicContact CD1-CZ3 4.29Å; Y230-W272 HydrophobicContact CE1-CH2 4.39Å; Y230-W272 HydrophobicContact CG-CH2 4.41Å; Y230-W272 HydrophobicContact CG-CZ2 4.43Å; N266-W272 HydrophobicContact CB-CE3 3.83Å; N266-W272 HydrophobicContact CB-CH2 4.46Å; N266-W272 HydrophobicContact CB-CZ3 3.64Å; N266-W272 VanDerWaalsContact ND2-CE3 3.3Å; N266-W272 VanDerWaalsContact ND2-CH2 3.35Å; N266-W272 WeakPolarHBondContact ND2-CH2 3.46Å; N266-W272 WeakPolarHBondContact ND2-CZ3 3Å; W268-W272 HydrophobicContact CB-CB 4.17Å; W268-W272 HydrophobicContact CB-CG 4.26Å; W268-W272 AromaticContact CE3-CD1 3.77Å; W268-W272 AromaticContact CE3-CD2 3.9Å; W268-W272 HydrophobicContact CE3-CD2 3.9Å; W268-W272 AromaticContact CE3-CE2 3.59Å; W268-W272 HydrophobicContact CE3-CG 4.02Å; W268-W272 HydrophobicContact CE3-CZ2 4.13Å; W268-W272 AromaticContact CE3-NE1 3.5Å; W268-W272 AromaticContact CZ3-CE2 3.79Å; W268-W272 AromaticContact CZ3-CZ2 3.95Å; W268-W272 HydrophobicContact CZ3-CZ2 3.95Å; W268-W272 AromaticContact CZ3-NE1 3.71Å; W268-W272 WeakPolarHBondContact O-CB 3.36Å; W272-G276 WeakPolarHBondContact O-CA 3.33Å; W272-G276 PolarHBondContact O-N 2.8Å; W272-F278 HydrophobicContact CH2-CB 3.82Å; W272-F278 AromaticContact CH2-CD1 3.97Å; W272-F278 HydrophobicContact CH2-CD1 3.97Å; W272-F278 AromaticContact CH2-CG 3.98Å; W272-F278 HydrophobicContact CH2-CG 3.98Å; W272-F278 HydrophobicContact CZ3-CB 3.87Å; W272-F278 AromaticContact CZ3-CD1 3.84Å; W272-F278 HydrophobicContact CZ3-CD1 3.84Å; W272-F278 HydrophobicContact CZ3-CG 4.15Å
273G92.8Very high96.5Very high20 Ų2028 Ų2821%0.20616%0.155CC..THydrogen-bonded Turntrans59.8-142.7173.600000114.2K231 K275K231-G273 CarbonylContact O-C 3.4Å; G273-K275 PolarHBondContact O-N 3.36Å
274D94.8Very high96.5Very high74 Ų7430.4 Ų30.440%0.39617%0.173SC..BIsolated β-bridgetrans-89.480.5174.6-177.415.8000109.3K231 G276 F277K231-D274 PolarHBondContact O-N 3.49Å; D274-G276 VanDerWaalsContact C-N 3.28Å; D274-G276 PolarHBondContact O-N 3.5Å; D274-F277 PolarHBondContact N-O 2.59Å; D274-F277 WeakPolarHBondContact O-CB 3.35Å; D274-F277 WeakPolarHBondContact O-CD2 3.4Å; D274-F277 PolarHBondContact O-N 2.92Å
275K95.3Very high96.4Very high153 Ų15333.5 Ų33.567%0.66519%0.19SC*.THydrogen-bonded Turntrans58.536.9-179.4-58175.4-177.61710113.6T270 G273 F277T270-K275 CarbonylContact O-C 3.55Å; T270-K275 VanDerWaalsContact O-C 3.32Å; T270-K275 WeakPolarHBondContact O-CA 3.05Å; G273-K275 PolarHBondContact O-N 3.36Å; K275-F277 VanDerWaalsContact C-N 3.31Å; K275-F277 HydrophobicContact CB-CD2 4.46Å; K275-F277 WeakPolarHBondContact O-CD2 3.48Å
276G96Very high96.4Very high0 Ų035.1 Ų35.10%020%0.197CC..THydrogen-bonded Turntrans85.6-3.9-174.600000114.8N266 N269 W272 D274N266-G276 WeakPolarHBondContact CB-O 3.22Å; N266-G276 PolarHBondContact N-O 2.95Å; N269-G276 WeakPolarHBondContact O-CA 3.38Å; W272-G276 WeakPolarHBondContact O-CA 3.33Å; W272-G276 PolarHBondContact O-N 2.8Å; D274-G276 VanDerWaalsContact C-N 3.28Å; D274-G276 PolarHBondContact O-N 3.5Å
277F98.2Very high96.4Very high19 Ų1936.1 Ų36.18%0.08320%0.204CC..EExtended strand (participates in β ladder)trans-98.4159.5174.4-57.2-90.5000111R55 I67 L251 L263 L264 A265 D274 K275R55-F277 VanDerWaalsContact NH1-CZ 3.26Å; I67-F277 HydrophobicContact CD1-CD1 4.05Å; I67-F277 HydrophobicContact CD1-CD2 4.2Å; I67-F277 HydrophobicContact CD1-CE1 3.72Å; I67-F277 HydrophobicContact CD1-CE2 3.86Å; I67-F277 HydrophobicContact CD1-CG 4.28Å; I67-F277 HydrophobicContact CD1-CZ 3.6Å; I67-F277 HydrophobicContact CG1-CD2 4.35Å; I67-F277 HydrophobicContact CG1-CE1 4.49Å; I67-F277 HydrophobicContact CG1-CE2 3.8Å; I67-F277 HydrophobicContact CG1-CZ 3.88Å; L251-F277 HydrophobicContact CD1-CE1 4.42Å; L251-F277 HydrophobicContact CD2-CD1 4.01Å; L251-F277 HydrophobicContact CD2-CE1 3.89Å; L263-F277 HydrophobicContact CD1-CB 4.3Å; L264-F277 VanDerWaalsContact O-CA 3.23Å; L264-F277 WeakPolarHBondContact O-CA 3.27Å; L264-F277 WeakPolarHBondContact O-CB 3.18Å; A265-F277 HydrophobicContact CB-CD1 4.14Å; A265-F277 HydrophobicContact CB-CE1 4.05Å; D274-F277 PolarHBondContact N-O 2.59Å; D274-F277 WeakPolarHBondContact O-CB 3.35Å; D274-F277 WeakPolarHBondContact O-CD2 3.4Å; D274-F277 PolarHBondContact O-N 2.92Å; K275-F277 VanDerWaalsContact C-N 3.31Å; K275-F277 HydrophobicContact CB-CD2 4.46Å; K275-F277 WeakPolarHBondContact O-CD2 3.48Å
278F98.3Very high96.4Very high1 Ų137.3 Ų37.30%0.00422%0.217CC..EExtended strand (participates in β ladder)trans-146.7162.9168.469.6-77000111.1F221 F227 Y230 V248 L264 N266 W272 I280F221-F278 HydrophobicContact CE1-CE2 4.43Å; F221-F278 AromaticContact CE1-CZ 3.88Å; F221-F278 HydrophobicContact CE1-CZ 3.88Å; F221-F278 HydrophobicContact CZ-CE2 4.18Å; F221-F278 AromaticContact CZ-CZ 3.96Å; F221-F278 HydrophobicContact CZ-CZ 3.96Å; F227-F278 AromaticContact CE2-CD2 3.7Å; F227-F278 HydrophobicContact CE2-CD2 3.7Å; F227-F278 AromaticContact CE2-CE2 3.81Å; F227-F278 HydrophobicContact CE2-CE2 3.81Å; F227-F278 HydrophobicContact CE2-CG 4.26Å; F227-F278 HydrophobicContact CE2-CZ 4.45Å; F227-F278 HydrophobicContact CZ-CD1 4.35Å; F227-F278 AromaticContact CZ-CD2 3.92Å; F227-F278 HydrophobicContact CZ-CD2 3.92Å; F227-F278 HydrophobicContact CZ-CE1 4.3Å; F227-F278 AromaticContact CZ-CE2 3.87Å; F227-F278 HydrophobicContact CZ-CE2 3.87Å; F227-F278 HydrophobicContact CZ-CG 4.15Å; F227-F278 HydrophobicContact CZ-CZ 4.05Å; Y230-F278 HydrophobicContact CD1-CB 3.86Å; Y230-F278 HydrophobicContact CE1-CB 3.28Å; Y230-F278 HydrophobicContact CE2-CB 4.49Å; V248-F278 HydrophobicContact CB-CE1 4.31Å; V248-F278 HydrophobicContact CB-CZ 4.36Å; V248-F278 HydrophobicContact CG1-CE1 3.99Å; V248-F278 HydrophobicContact CG1-CZ 4.13Å; V248-F278 HydrophobicContact CG2-CE1 4.48Å; V248-F278 HydrophobicContact CG2-CZ 4.06Å; L264-F278 HydrophobicContact CB-CD1 3.93Å; L264-F278 HydrophobicContact CB-CE1 3.47Å; L264-F278 VanDerWaalsContact CB-CE1 3.47Å; L264-F278 HydrophobicContact CB-CE2 4.21Å; L264-F278 HydrophobicContact CB-CG 4.49Å; L264-F278 HydrophobicContact CB-CZ 3.64Å; L264-F278 HydrophobicContact CD1-CD2 4.29Å; L264-F278 HydrophobicContact CD1-CE2 3.85Å; L264-F278 HydrophobicContact CD1-CZ 4.04Å; L264-F278 HydrophobicContact CD2-CZ 4.04Å; L264-F278 HydrophobicContact CG-CE1 4.43Å; L264-F278 HydrophobicContact CG-CE2 4.43Å; L264-F278 HydrophobicContact CG-CZ 4.11Å; L264-F278 PolarHBondContact N-O 3.02Å; L264-F278 PolarHBondContact O-N 3.39Å; N266-F278 HydrophobicContact CB-CD1 4.13Å; N266-F278 HydrophobicContact CB-CE1 4.16Å; W272-F278 HydrophobicContact CH2-CB 3.82Å; W272-F278 AromaticContact CH2-CD1 3.97Å; W272-F278 HydrophobicContact CH2-CD1 3.97Å; W272-F278 AromaticContact CH2-CG 3.98Å; W272-F278 HydrophobicContact CH2-CG 3.98Å; W272-F278 HydrophobicContact CZ3-CB 3.87Å; W272-F278 AromaticContact CZ3-CD1 3.84Å; W272-F278 HydrophobicContact CZ3-CD1 3.84Å; W272-F278 HydrophobicContact CZ3-CG 4.15Å; F278-I280 HydrophobicContact CD2-CB 4.48Å; F278-I280 HydrophobicContact CE2-CB 4.27Å; F278-I280 HydrophobicContact CE2-CG2 4.43Å
279K98.7Very high96.5Very high37 Ų3737.5 Ų37.516%0.16122%0.218CC..EExtended strand (participates in β ladder)trans-116.9138.6173.1-61.6165.2-179.3161.40109.2Y230 V234 Y235 E256 Y261 W262 L263Y230-K279 PolarHBondContact OH-N 3.01Å; Y230-K279 VanDerWaalsContact OH-N 3.15Å; V234-K279 HydrophobicContact CG2-CB 4.33Å; Y235-K279 VanDerWaalsContact CB-O 3.27Å; Y235-K279 WeakPolarHBondContact CB-O 3.5Å; Y235-K279 PolarHBondContact N-O 3.3Å; E256-K279 IonicContact OE2-NZ 3.02Å; E256-K279 PolarHBondContact OE2-NZ 3.12Å; Y261-K279 HydrophobicContact CD1-CD 4.15Å; Y261-K279 HydrophobicContact CD2-CB 4.01Å; Y261-K279 HydrophobicContact CD2-CD 3.96Å; Y261-K279 HydrophobicContact CD2-CG 3.68Å; Y261-K279 HydrophobicContact CE1-CD 4.14Å; Y261-K279 HydrophobicContact CE2-CD 3.98Å; Y261-K279 HydrophobicContact CE2-CG 3.97Å; Y261-K279 HydrophobicContact CG-CB 4.05Å; Y261-K279 HydrophobicContact CG-CD 4.06Å; Y261-K279 HydrophobicContact CG-CG 4.08Å; W262-K279 WeakPolarHBondContact O-CA 3.04Å; L263-K279 HydrophobicContact CD1-CG 4.31Å
280I98.6Very high96.7Very high0 Ų037.4 Ų37.40%022%0.217CC..EExtended strand (participates in β ladder)trans-129.1149.1175.1-171.8166.7000109.6F221 Y235 Y261 W262 L264 F278 R282 E286 C287 I289F221-I280 HydrophobicContact CD2-CD1 4.14Å; Y235-I280 HydrophobicContact CD1-CD1 3.81Å; Y235-I280 HydrophobicContact CD1-CG1 3.87Å; Y235-I280 HydrophobicContact CE1-CD1 4.22Å; Y261-I280 CarbonylContact C-O 3.32Å; Y261-I280 WeakPolarHBondContact CA-O 3.01Å; Y261-I280 WeakPolarHBondContact CB-O 3.42Å; W262-I280 HydrophobicContact CB-CG2 3.93Å; W262-I280 PolarHBondContact N-O 2.98Å; W262-I280 PolarHBondContact O-N 2.79Å; L264-I280 HydrophobicContact CD1-CB 4.42Å; L264-I280 HydrophobicContact CD1-CG2 3.44Å; L264-I280 VanDerWaalsContact CD1-CG2 3.44Å; F278-I280 HydrophobicContact CD2-CB 4.48Å; F278-I280 HydrophobicContact CE2-CB 4.27Å; F278-I280 HydrophobicContact CE2-CG2 4.43Å; I280-R282 PolarHBondContact O-N 2.64Å; I280-E286 HydrophobicContact CD1-CB 4.39Å; I280-E286 HydrophobicContact CD1-CG 4.07Å; I280-E286 HydrophobicContact CG1-CB 4.12Å; I280-E286 HydrophobicContact CG1-CG 3.81Å; I280-C287 HydrophobicContact CD1-CB 4.39Å; I280-I289 HydrophobicContact CD1-CB 4.32Å; I280-I289 HydrophobicContact CD1-CG2 4.47Å; I280-I289 HydrophobicContact CG2-CG1 4.02Å; I280-I289 HydrophobicContact CG2-CG2 4.39Å
281L98.7Very high96.7Very high27 Ų2735.2 Ų35.214%0.14121%0.208CC..EExtended strand (participates in β ladder)trans-54.4130.8-18017965.8000111.3V234 Y235 Q236 V259 P260 S284 E286V234-L281 HydrophobicContact CG1-CB 4.37Å; Y235-L281 PolarHBondContact O-N 2.8Å; Q236-L281 HydrophobicContact CG-CB 3.76Å; Q236-L281 HydrophobicContact CG-CD2 3.88Å; Q236-L281 HydrophobicContact CG-CG 4.35Å; V259-L281 HydrophobicContact CG1-CD1 3.66Å; P260-L281 HydrophobicContact CG-CD1 4.32Å; P260-L281 WeakPolarHBondContact O-CD1 3.48Å; L281-S284 WeakPolarHBondContact CD2-OG 3.37Å; L281-S284 WeakPolarHBondContact CG-OG 3.22Å; L281-E286 HydrophobicContact CB-CB 3.95Å; L281-E286 HydrophobicContact CB-CG 4.03Å
282R98.6Very high96.4Very high40 Ų4034.4 Ų34.415%0.15120%0.204CC..THydrogen-bonded Turntrans-104.6143.3178.1169.1172.462.976.91.7110.9G254 P260 Y261 W262 I280G254-R282 PolarHBondContact O-NH2 3.02Å; P260-R282 HydrophobicContact CB-CB 4.43Å; P260-R282 VanDerWaalsContact CB-NH2 3.33Å; P260-R282 WeakPolarHBondContact CG-O 3.49Å; P260-R282 PolarHBondContact O-N 2.99Å; P260-R282 VanDerWaalsContact O-N 3.07Å; Y261-R282 PolarHBondContact O-NE 2.04Å; W262-R282 HydrophobicContact CD2-CB 4.05Å; W262-R282 HydrophobicContact CD2-CG 3.87Å; W262-R282 VanDerWaalsContact CE2-CD 3.41Å; W262-R282 HydrophobicContact CE3-CG 4.48Å; W262-R282 HydrophobicContact CG-CB 3.91Å; W262-R282 HydrophobicContact CG-CG 4.26Å; W262-R282 HydrophobicContact CH2-CG 4.33Å; W262-R282 VanDerWaalsContact CZ2-CD 3.48Å; W262-R282 HydrophobicContact CZ2-CG 3.64Å; I280-R282 PolarHBondContact O-N 2.64Å
283G98Very high96.7Very high53 Ų5334.3 Ų34.355%0.54620%0.204SC..THydrogen-bonded Turntrans93.37.4172.100000114.7E290G283-E290 PolarHBondContact N-OE1 3.36Å
284S97.3Very high96.9Very high64 Ų6433.5 Ų33.545%0.44819%0.194SC..THydrogen-bonded Turntrans-128.710.6179.463.20000113.1L281 E286L281-S284 WeakPolarHBondContact CD2-OG 3.37Å; L281-S284 WeakPolarHBondContact CG-OG 3.22Å; S284-E286 PolarHBondContact O-N 3.4Å
285D97.9Very high97.1Very high65 Ų6530 Ų3035%0.34818%0.175SC..THydrogen-bonded Turntrans46.843.2-169.9-163.124.1000112C287 G288 I289 E290 A291D285-C287 PolarHBondContact O-N 2.01Å; D285-G288 WeakPolarHBondContact O-CA 3.47Å; D285-G288 PolarHBondContact O-N 3.43Å; D285-G288 WeakPolarHBondContact OD1-CA 3.42Å; D285-I289 PolarHBondContact OD1-N 3.14Å; D285-E290 WeakPolarHBondContact CA-OE2 3.03Å; D285-E290 HydrophobicContact CB-CB 4.3Å; D285-E290 PolarHBondContact N-OE2 2.86Å; D285-E290 WeakPolarHBondContact OD1-CA 3.31Å; D285-E290 WeakPolarHBondContact OD1-CB 3.12Å; D285-E290 PolarHBondContact OD1-N 2.8Å; D285-A291 PolarHBondContact OD1-N 2.95Å; D285-A291 VanDerWaalsContact OD1-N 3.09Å
286E98.3Very high97.2Very high34 Ų3422.7 Ų22.716%0.15914%0.144CC..G310 helixtrans-54.9122.5-175.8-178.364.6-156.300110Q236 H237 I280 L281 S284 G288 I289Q236-E286 WeakPolarHBondContact CA-OE1 3.35Å; H237-E286 PolarHBondContact N-OE1 3.34Å; I280-E286 HydrophobicContact CD1-CB 4.39Å; I280-E286 HydrophobicContact CD1-CG 4.07Å; I280-E286 HydrophobicContact CG1-CB 4.12Å; I280-E286 HydrophobicContact CG1-CG 3.81Å; L281-E286 HydrophobicContact CB-CB 3.95Å; L281-E286 HydrophobicContact CB-CG 4.03Å; S284-E286 PolarHBondContact O-N 3.4Å; E286-G288 PolarHBondContact O-N 3.45Å; E286-G288 VanDerWaalsContact O-N 3.08Å; E286-I289 WeakPolarHBondContact O-CB 3.21Å; E286-I289 WeakPolarHBondContact O-CG2 3.41Å; E286-I289 PolarHBondContact O-N 3.28Å; E286-I289 VanDerWaalsContact O-N 3.1Å
287C97.3Very high97.4Very high22 Ų2224.4 Ų24.415%0.14915%0.153CC..G310 helixtrans54.921.3-174.7-58.50000114.5F221 E222 Y224 I280 D285F221-C287 CarbonylContact C-O 3.51Å; F221-C287 WeakPolarHBondContact CA-O 3.24Å; F221-C287 HydrophobicContact CB-CB 4.18Å; F221-C287 WeakPolarHBondContact CB-O 3.42Å; F221-C287 HydrophobicContact CD2-CB 4.1Å; E222-C287 HydrophobicContact CB-CB 4.43Å; E222-C287 PolarHBondContact N-O 3.46Å; E222-C287 WeakPolarHBondContact O-CB 3.36Å; Y224-C287 HydrophobicContact CE2-CB 4.41Å; I280-C287 HydrophobicContact CD1-CB 4.39Å; D285-C287 PolarHBondContact O-N 2.01Å
288G97.1Very high97.4Very high27 Ų2724.5 Ų24.528%0.27815%0.153SC..G310 helixtrans77.714.3-177.900000115D285 E286 E290 A291D285-G288 WeakPolarHBondContact O-CA 3.47Å; D285-G288 PolarHBondContact O-N 3.43Å; D285-G288 WeakPolarHBondContact OD1-CA 3.42Å; E286-G288 PolarHBondContact O-N 3.45Å; E286-G288 VanDerWaalsContact O-N 3.08Å; G288-E290 PolarHBondContact O-N 3.34Å; G288-A291 VanDerWaalsContact O-CB 3.32Å; G288-A291 WeakPolarHBondContact O-CB 3.49Å; G288-A291 PolarHBondContact O-N 2.98Å; G288-A291 VanDerWaalsContact O-N 3.1Å
289I97.9Very high97.3Very high4 Ų430.1 Ų30.12%0.02117%0.174CC..THydrogen-bonded Turntrans-61.2-23.9-173.7-16770.4000114.1V219 A220 F221 V248 L264 I280 D285 E286V219-I289 HydrophobicContact CB-CD1 4.24Å; V219-I289 HydrophobicContact CG2-CD1 3.53Å; V219-I289 HydrophobicContact CG2-CG1 4.24Å; A220-I289 WeakPolarHBondContact O-CA 3.05Å; F221-I289 HydrophobicContact CB-CB 4.04Å; F221-I289 HydrophobicContact CB-CD1 3.59Å; F221-I289 HydrophobicContact CB-CG1 4.41Å; F221-I289 HydrophobicContact CD1-CD1 3.76Å; F221-I289 HydrophobicContact CG-CD1 3.86Å; V248-I289 HydrophobicContact CG2-CD1 4.33Å; L264-I289 HydrophobicContact CD2-CD1 3.84Å; L264-I289 HydrophobicContact CD2-CG1 4.42Å; I280-I289 HydrophobicContact CD1-CB 4.32Å; I280-I289 HydrophobicContact CD1-CG2 4.47Å; I280-I289 HydrophobicContact CG2-CG1 4.02Å; I280-I289 HydrophobicContact CG2-CG2 4.39Å; D285-I289 PolarHBondContact OD1-N 3.14Å; E286-I289 WeakPolarHBondContact O-CB 3.21Å; E286-I289 WeakPolarHBondContact O-CG2 3.41Å; E286-I289 PolarHBondContact O-N 3.28Å; E286-I289 VanDerWaalsContact O-N 3.1Å
290E98.1Very high96.8Very high6 Ų633 Ų333%0.02819%0.188CC..THydrogen-bonded Turntrans-95.4-13.5-179.7-66.4162.7174.400111.6S202 I207 W262 G283 D285 G288 E292S202-E290 WeakPolarHBondContact CA-O 3.38Å; S202-E290 WeakPolarHBondContact CB-O 3.13Å; I207-E290 HydrophobicContact CD1-CB 3.97Å; I207-E290 HydrophobicContact CD1-CG 4.02Å; W262-E290 HydrophobicContact CZ2-CG 4.46Å; W262-E290 PolarHBondContact NE1-OE1 2.73Å; G283-E290 PolarHBondContact N-OE1 3.36Å; D285-E290 WeakPolarHBondContact CA-OE2 3.03Å; D285-E290 HydrophobicContact CB-CB 4.3Å; D285-E290 PolarHBondContact N-OE2 2.86Å; D285-E290 WeakPolarHBondContact OD1-CA 3.31Å; D285-E290 WeakPolarHBondContact OD1-CB 3.12Å; D285-E290 PolarHBondContact OD1-N 2.8Å; G288-E290 PolarHBondContact O-N 3.34Å; E290-E292 PolarHBondContact O-N 2.86Å
291A94.4Very high95.8Very high39 Ų3936.3 Ų36.332%0.32221%0.209SC..THydrogen-bonded Turntrans-70.7-29.2-174.200000114.2K199 D285 G288K199-A291 WeakPolarHBondContact CE-O 3.14Å; K199-A291 PolarHBondContact NZ-O 2.77Å; D285-A291 PolarHBondContact OD1-N 2.95Å; D285-A291 VanDerWaalsContact OD1-N 3.09Å; G288-A291 VanDerWaalsContact O-CB 3.32Å; G288-A291 WeakPolarHBondContact O-CB 3.49Å; G288-A291 PolarHBondContact O-N 2.98Å; G288-A291 VanDerWaalsContact O-N 3.1Å
292E87.4Confident94.5Very high36 Ų3644.6 Ų44.617%0.16824%0.244CC..THydrogen-bonded Turntrans-137.763.8-174.5-160.5175.7-153.900113.2P123 E290 I294P123-E292 VanDerWaalsContact CG-OE1 3.25Å; P123-E292 WeakPolarHBondContact CG-OE1 3.38Å; E290-E292 PolarHBondContact O-N 2.86Å; E292-I294 HydrophobicContact CG-CD1 3.93Å; E292-I294 HydrophobicContact CG-CG1 4.07Å
293A97Very high92.9Very high0 Ų052.7 Ų52.70%028%0.275CS..  trans-81.612516800000111.4K199 I200 I207 M217 V219K199-A293 CarbonylContact C-O 3.53Å; K199-A293 WeakPolarHBondContact CA-O 3.06Å; I200-A293 HydrophobicContact CB-CB 3.98Å; I200-A293 HydrophobicContact CD1-CB 4.17Å; I200-A293 WeakPolarHBondContact CD1-O 3.11Å; I200-A293 PolarHBondContact N-O 3.03Å; I207-A293 HydrophobicContact CD1-CB 4.35Å; I207-A293 HydrophobicContact CG1-CB 4.27Å; M217-A293 HydrophobicContact SD-CB 3.91Å; V219-A293 HydrophobicContact CG1-CB 3.95Å
294I97.9Very high91Very high2 Ų254 Ų541%0.0127%0.273CS..EExtended strand (participates in β ladder)trans-129.1138-176.4-48.1-174.8000110.8L36 P122 P123 W126 E218 E292L36-I294 HydrophobicContact CD1-CG2 3.63Å; P122-I294 HydrophobicContact CB-CD1 3.74Å; P123-I294 HydrophobicContact CB-CD1 3.89Å; P123-I294 HydrophobicContact CG-CD1 3.4Å; P123-I294 VanDerWaalsContact CG-CD1 3.4Å; P123-I294 VanDerWaalsContact N-CD1 3.26Å; W126-I294 HydrophobicContact CB-CG2 4.07Å; W126-I294 HydrophobicContact CD2-CG2 4.2Å; W126-I294 HydrophobicContact CG-CG2 3.61Å; E218-I294 PolarHBondContact N-O 2.91Å; E218-I294 PolarHBondContact O-N 2.93Å; E292-I294 HydrophobicContact CG-CD1 3.93Å; E292-I294 HydrophobicContact CG-CG1 4.07Å
295A98.5Very high89.2Confident0 Ų055.8 Ų55.80%028%0.275CS..EExtended strand (participates in β ladder)trans-149.8-177.8-178.700000112.4W126 S197 Y198 I200 M217W126-A295 VanDerWaalsContact CZ3-C 3.42Å; S197-A295 CarbonylContact C-O 3.59Å; S197-A295 WeakPolarHBondContact CA-O 3.38Å; Y198-A295 HydrophobicContact CD2-CB 4.24Å; Y198-A295 HydrophobicContact CE2-CB 3.68Å; Y198-A295 PolarHBondContact N-O 3.49Å; Y198-A295 PolarHBondContact O-N 2.6Å; Y198-A295 VanDerWaalsContact O-O 3.12Å; I200-A295 HydrophobicContact CD1-CB 3.61Å; M217-A295 HydrophobicContact CB-CB 4.11Å
296G98.1Very high87.8Confident0 Ų057.3 Ų57.30%029%0.289CS..EExtended strand (participates in β ladder)trans-166.5175.4172.100000112.1R88 W126 R196R88-G296 VanDerWaalsContact CD-O 3.32Å; R88-G296 WeakPolarHBondContact CD-O 3.18Å; R88-G296 PolarHBondContact NH1-O 3.2Å; W126-G296 VanDerWaalsContact CE3-N 3.32Å; R196-G296 CarbonylContact O-C 3.55Å; R196-G296 WeakPolarHBondContact O-CA 3.41Å
297L98.3Very high86.5Confident37 Ų3764.1 Ų64.119%0.19431%0.313CS..EExtended strand (participates in β ladder)trans-113.4140177.8-61.7179.6000110.4W129 G194 L195 R196 Y198 N214W129-L297 VanDerWaalsContact CH2-C 3.48Å; W129-L297 WeakPolarHBondContact CH2-O 3.49Å; G194-L297 CarbonylContact C-O 3.59Å; L195-L297 HydrophobicContact CB-CB 4.41Å; L195-L297 WeakPolarHBondContact CB-O 3.47Å; L195-L297 PolarHBondContact N-O 3.21Å; R196-L297 PolarHBondContact O-N 3.28Å; Y198-L297 HydrophobicContact CE1-CG 4.06Å; Y198-L297 WeakPolarHBondContact OH-CD2 3.41Å; N214-L297 HydrophobicContact CB-CD2 4.33Å; N214-L297 WeakPolarHBondContact OD1-CD2 3.5Å
298Y98.1Very high85.1Confident21 Ų2167.3 Ų67.38%0.08233%0.329CS..EExtended strand (participates in β ladder)trans-72134.3178.2174.5-128.6000112I89 A92 T93 Q97 W129 Y192 Y193 Q300I89-Y298 HydrophobicContact CB-CD1 4.45Å; I89-Y298 HydrophobicContact CB-CG 4.39Å; I89-Y298 HydrophobicContact CD1-CD2 4.35Å; I89-Y298 HydrophobicContact CD1-CE2 4.46Å; I89-Y298 HydrophobicContact CG1-CD1 4.26Å; I89-Y298 HydrophobicContact CG1-CD2 3.63Å; I89-Y298 HydrophobicContact CG1-CE2 4.04Å; I89-Y298 HydrophobicContact CG1-CG 3.75Å; I89-Y298 HydrophobicContact CG2-CD1 4.18Å; I89-Y298 HydrophobicContact CG2-CE1 4.04Å; A92-Y298 HydrophobicContact CB-CD1 4.47Å; T93-Y298 HydrophobicContact CG2-CD1 4.04Å; T93-Y298 HydrophobicContact CG2-CE1 3.77Å; Q97-Y298 PolarHBondContact OE1-OH 3.3Å; Q97-Y298 VanDerWaalsContact OE1-OH 3.06Å; W129-Y298 HydrophobicContact CZ2-CD2 4.1Å; Y192-Y298 AromaticContact CD1-CE2 3.83Å; Y192-Y298 HydrophobicContact CD1-CE2 3.83Å; Y192-Y298 AromaticContact CD1-CZ 3.92Å; Y193-Y298 VanDerWaalsContact O-CD2 3.31Å; Y193-Y298 WeakPolarHBondContact O-CD2 3.38Å; Y298-Q300 HydrophobicContact CD1-CG 3.96Å; Y298-Q300 HydrophobicContact CE1-CG 4.27Å; Y298-Q300 PolarHBondContact O-N 3.47Å; Y298-Q300 VanDerWaalsContact O-N 3.11Å
299R96.9Very high83.9Confident119 Ų11971.5 Ų71.545%0.44934%0.339SS..  trans-79.491.2171.2-171.9173.472.2-173.22.9109.6Y193 L195Y193-R299 VanDerWaalsContact CB-NH2 3.31Å; Y193-R299 VanDerWaalsContact O-CB 3.26Å; Y193-R299 WeakPolarHBondContact O-CB 3.18Å; Y193-R299 PolarHBondContact O-N 3.32Å; L195-R299 HydrophobicContact CB-CB 4.16Å
300Q88.2Confident82.4Confident97 Ų9778.6 Ų78.645%0.45337%0.372SS..PPolyproline II helixtrans-57.6140.1178.2-62.1-166.518.800111.5A92 Y298 K302A92-Q300 PolarHBondContact O-NE2 2.89Å; Y298-Q300 HydrophobicContact CD1-CG 3.96Å; Y298-Q300 HydrophobicContact CE1-CG 4.27Å; Y298-Q300 PolarHBondContact O-N 3.47Å; Y298-Q300 VanDerWaalsContact O-N 3.11Å; Q300-K302 PolarHBondContact O-N 3.18Å
301P78.6Confident80.5Confident69 Ų6985.9 Ų85.945%0.44841%0.411SS..PPolyproline II helixtrans-55.8133.8170.6-19.930.5000109.1R303P301-R303 PolarHBondContact O-N 3.27Å; P301-R303 VanDerWaalsContact O-N 3.14Å
302K71.5Confident78.8Confident202 Ų20288.9 Ų88.988%0.87842%0.421SS*.PPolyproline II helixtrans-53.5125.2173.6-70.5-175179.2179.60107.8Q300Q300-K302 PolarHBondContact O-N 3.18Å
303R63.5Low77Confident209 Ų20996.9 Ų96.979%0.78946%0.455SS*.PPolyproline II helixtrans-57.3128.4167.6-76.2-173.8-178.5-173.21.3106.8P301 Q305P301-R303 PolarHBondContact O-N 3.27Å; P301-R303 VanDerWaalsContact O-N 3.14Å; R303-Q305 PolarHBondContact O-N 2.81Å; R303-Q305 VanDerWaalsContact O-N 3.15Å
304P58.9Low75.2Confident80 Ų80103.9 Ų103.952%0.51949%0.491SS..PPolyproline II helixtrans-58.6124.6173.525.7-32.9000107.6D308 F309P304-D308 WeakPolarHBondContact CA-OD2 3.41Å; P304-D308 HydrophobicContact CB-CB 4.44Å; P304-F309 HydrophobicContact CB-CE2 3.58Å; P304-F309 HydrophobicContact CB-CZ 3.61Å; P304-F309 HydrophobicContact CG-CE2 3.93Å; P304-F309 HydrophobicContact CG-CZ 3.69Å
305Q60.2Low73.3Confident102 Ų102113 Ų11348%0.47755%0.55SS.*PPolyproline II helixtrans-80155.3179.3-67.2-67.7-15.400108.5R303 R307 D308 F309R303-Q305 PolarHBondContact O-N 2.81Å; R303-Q305 VanDerWaalsContact O-N 3.15Å; Q305-R307 HydrophobicContact CB-CG 3.83Å; Q305-R307 PolarHBondContact O-N 2.73Å; Q305-D308 PolarHBondContact N-OD2 3.1Å; Q305-D308 VanDerWaalsContact O-CB 3.31Å; Q305-D308 WeakPolarHBondContact O-CB 3.33Å; Q305-D308 PolarHBondContact O-N 3.08Å; Q305-F309 WeakPolarHBondContact O-CD2 3.43Å
306P66.9Low72Confident98 Ų98118.6 Ų118.664%0.63658%0.578SS**G310 helixtrans-50.3-34177.8-29.335.4000113.9D308 F309P306-D308 VanDerWaalsContact C-N 3.27Å; P306-D308 PolarHBondContact O-N 2.05Å; P306-F309 PolarHBondContact O-N 2.81Å; P306-F309 VanDerWaalsContact O-N 3.16Å
307R72.6Confident70.6Confident176 Ų176124.8 Ų124.866%0.66461%0.608SS**G310 helixtrans-61.9-27.8174.665.8179.9-176.8-170.5-1.9114.6Q305 F309 Q310Q305-R307 HydrophobicContact CB-CG 3.83Å; Q305-R307 PolarHBondContact O-N 2.73Å; R307-F309 PolarHBondContact O-N 3.28Å; R307-Q310 PolarHBondContact O-N 3.32Å
308D67.8Low69.1Low90 Ų90129.7 Ų129.748%0.48163%0.631SS.*G310 helixtrans-72.2-14.7179.5-56.3-28.5000111.3P304 Q305 P306P304-D308 WeakPolarHBondContact CA-OD2 3.41Å; P304-D308 HydrophobicContact CB-CB 4.44Å; Q305-D308 PolarHBondContact N-OD2 3.1Å; Q305-D308 VanDerWaalsContact O-CB 3.31Å; Q305-D308 WeakPolarHBondContact O-CB 3.33Å; Q305-D308 PolarHBondContact O-N 3.08Å; P306-D308 VanDerWaalsContact C-N 3.27Å; P306-D308 PolarHBondContact O-N 2.05Å
309F71.1Confident67.4Low115 Ų115136.1 Ų136.150%0.50466%0.663SS.*G310 helixtrans-101.4-7.7176-58.3-82.6000113.7P304 Q305 P306 R307 N311 I312P304-F309 HydrophobicContact CB-CE2 3.58Å; P304-F309 HydrophobicContact CB-CZ 3.61Å; P304-F309 HydrophobicContact CG-CE2 3.93Å; P304-F309 HydrophobicContact CG-CZ 3.69Å; Q305-F309 WeakPolarHBondContact O-CD2 3.43Å; P306-F309 PolarHBondContact O-N 2.81Å; P306-F309 VanDerWaalsContact O-N 3.16Å; R307-F309 PolarHBondContact O-N 3.28Å; F309-N311 PolarHBondContact O-N 3.05Å; F309-I312 HydrophobicContact CB-CD1 4.45Å; F309-I312 HydrophobicContact CD1-CD1 3.66Å; F309-I312 HydrophobicContact CE1-CD1 4.41Å; F309-I312 HydrophobicContact CG-CD1 4.46Å; F309-I312 PolarHBondContact O-N 3.33Å
310Q66Low65.6Low153 Ų153137.2 Ų137.272%0.71568%0.677SS**THydrogen-bonded Turntrans-68.2-18.3-175.3-76.2177.7-15.500114.1R307R307-Q310 PolarHBondContact O-N 3.32Å
311N58.8Low64.1Low158 Ų158139.9 Ų139.985%0.84569%0.692SS**THydrogen-bonded Turntrans-108.39.8178.4-71.1-28.8000113.7F309 K313F309-N311 PolarHBondContact O-N 3.05Å; N311-K313 PolarHBondContact O-N 3.24Å; N311-K313 VanDerWaalsContact O-N 3.13Å
312I58Low63Low103 Ų103144.9 Ų144.953%0.52871%0.709SS.*  trans-83.393.1174.7-55.5-176.2000107.7F309 I314F309-I312 HydrophobicContact CB-CD1 4.45Å; F309-I312 HydrophobicContact CD1-CD1 3.66Å; F309-I312 HydrophobicContact CE1-CD1 4.41Å; F309-I312 HydrophobicContact CG-CD1 4.46Å; F309-I312 PolarHBondContact O-N 3.33Å; I312-I314 HydrophobicContact CG2-CG1 4.38Å; I312-I314 PolarHBondContact O-N 3.48Å; I312-I314 VanDerWaalsContact O-N 3.14Å
313K50.6Low62.4Low203 Ų203140.5 Ų140.588%0.88370%0.696SS**  trans-68.9105.6163-74.5-171177.7-175.40107.6N311N311-K313 PolarHBondContact O-N 3.24Å; N311-K313 VanDerWaalsContact O-N 3.13Å
314I57.7Low62.3Low148 Ų148134.8 Ų134.876%0.75969%0.688SS**  trans-69.7127.4167.6-53.6176.5000106.1I312I312-I314 HydrophobicContact CG2-CG1 4.38Å; I312-I314 PolarHBondContact O-N 3.48Å; I312-I314 VanDerWaalsContact O-N 3.14Å
315P58.5Low62.6Low192 Ų192139.8 Ų139.8100%1.24770%0.704SS**  trans-63.30-177.424.9-33000113.7

Retrieved 315 of 315 residues in 512.8 ms (Link to these results)

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