A0A077ZBE7_TRITR Loading...

Myotub-related domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZBE7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 365 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
1M84.5Confident89.8Confident170 Ų17069.5 Ų69.584%0.83738%0.378SS*.  0147.30-72.2172.3-74.900108.1F14 P16 F38M1-F14 HydrophobicContact CB-CE1 4.08Å; M1-F14 HydrophobicContact CB-CZ 4.04Å; M1-F14 HydrophobicContact CE-CE1 4.39Å; M1-P16 HydrophobicContact SD-CG 4.48Å; M1-F38 HydrophobicContact CE-CE1 3.59Å; M1-F38 HydrophobicContact CE-CZ 3.68Å; M1-F38 HydrophobicContact SD-CZ 4.15Å
2V89.2Confident90.2Very high124 Ų12464.4 Ų64.475%0.75235%0.351SS*.  trans-95.1145.9171.2-176.40000108.9A17V2-A17 PolarHBondContact O-N 3Å
3G89.8Confident90.4Very high28 Ų2860 Ų6029%0.28933%0.327SS..EExtended strand (participates in β ladder)trans171.5-177.1-175.900000112.5F14 R15G3-F14 VanDerWaalsContact CA-CE2 3.49Å; G3-R15 CarbonylContact C-O 3.59Å; G3-R15 WeakPolarHBondContact CA-O 3.5Å
4T89.9Confident90.5Very high65 Ų6557.9 Ų57.940%0.39931%0.313SS..EExtended strand (participates in β ladder)trans-100.4134-178.8-49.20000110.7Y6 R15T4-Y6 HydrophobicContact CG2-CD1 4.5Å; T4-Y6 HydrophobicContact CG2-CD2 4.26Å; T4-Y6 HydrophobicContact CG2-CE1 3.97Å; T4-Y6 HydrophobicContact CG2-CE2 3.7Å; T4-R15 PolarHBondContact N-O 3.43Å; T4-R15 PolarHBondContact O-N 3.33Å
5V91.7Very high90.3Very high42 Ų4256.7 Ų56.726%0.25530%0.302SS..EExtended strand (participates in β ladder)trans-97.7127.2171.9-179.30000109L12 F14 L87 L98V5-L12 HydrophobicContact CG1-CD1 3.44Å; V5-L12 VanDerWaalsContact CG1-CD1 3.44Å; V5-L12 HydrophobicContact CG1-CG 4.49Å; V5-F14 HydrophobicContact CG2-CD2 3.9Å; V5-L87 HydrophobicContact CG1-CD1 4.25Å; V5-L87 HydrophobicContact CG2-CD1 4.14Å; V5-L87 HydrophobicContact CG2-CD2 4.15Å; V5-L98 HydrophobicContact CB-CD2 4.34Å; V5-L98 HydrophobicContact CG1-CD1 3.99Å; V5-L98 HydrophobicContact CG1-CD2 3.86Å
6Y91.1Very high90.2Very high83 Ų8353.8 Ų53.833%0.32529%0.287SS..EExtended strand (participates in β ladder)trans-114.3121.3175.5-61.2-85000109.4T4 L13 R15 F32T4-Y6 HydrophobicContact CG2-CD1 4.5Å; T4-Y6 HydrophobicContact CG2-CD2 4.26Å; T4-Y6 HydrophobicContact CG2-CE1 3.97Å; T4-Y6 HydrophobicContact CG2-CE2 3.7Å; Y6-L13 PolarHBondContact N-O 2.68Å; Y6-L13 PolarHBondContact O-N 3.25Å; Y6-R15 HydrophobicContact CE2-CB 4.14Å; Y6-F32 HydrophobicContact CD2-CE1 4.08Å; Y6-F32 HydrophobicContact CD2-CZ 4.16Å; Y6-F32 HydrophobicContact CE2-CE1 4.32Å; Y6-F32 AromaticContact CE2-CZ 3.93Å; Y6-F32 HydrophobicContact CE2-CZ 3.93Å; Y6-F32 HydrophobicContact CG-CE1 4.25Å
7C91.9Very high90Very high43 Ų4353.6 Ų53.629%0.29130%0.295SS..EExtended strand (participates in β ladder)trans-105.2141170.4-1650000109.6L12 L98C7-L12 HydrophobicContact CB-CD1 4.34Å; C7-L98 HydrophobicContact CB-CD1 3.63Å
8T90Very high89.5Confident47 Ų4757 Ų5729%0.28832%0.318SS..  trans-133.6169175.363.30000108.2F10 R11 L42T8-F10 PolarHBondContact O-N 3.2Å; T8-R11 PolarHBondContact N-O 2.8Å; T8-R11 WeakPolarHBondContact OG1-CG 3.28Å; T8-R11 PolarHBondContact OG1-N 3.01Å; T8-R11 PolarHBondContact OG1-O 3.44Å; T8-L42 WeakPolarHBondContact O-CD1 3.39Å
9I88.5Confident88.4Confident50 Ų5057.2 Ų57.226%0.25632%0.318SS..SBendtrans-59.7-10.9178.968.7172000114.8Y105 P115 I118 L119I9-Y105 HydrophobicContact CB-CD1 4.14Å; I9-Y105 HydrophobicContact CB-CE1 4.11Å; I9-Y105 HydrophobicContact CG2-CD1 4.34Å; I9-Y105 HydrophobicContact CG2-CE1 3.84Å; I9-Y105 HydrophobicContact CG2-CE2 4.27Å; I9-P115 WeakPolarHBondContact O-CG 3.45Å; I9-I118 HydrophobicContact CD1-CB 4.11Å; I9-I118 HydrophobicContact CD1-CD1 4.34Å; I9-I118 HydrophobicContact CD1-CG2 3.58Å; I9-L119 HydrophobicContact CD1-CD2 4.01Å; I9-L119 HydrophobicContact CD1-CG 4.33Å
10F89.9Confident86.8Confident78 Ų7858.1 Ų58.134%0.34233%0.325SS..SBendtrans-131.6-18.7-17469.6-87.4000115.8T8 P41 L42 P115 L119T8-F10 PolarHBondContact O-N 3.2Å; F10-P41 CarbonylContact O-C 3.55Å; F10-P41 WeakPolarHBondContact O-CA 3.42Å; F10-L42 PolarHBondContact O-N 3.3Å; F10-P115 HydrophobicContact CB-CB 3.72Å; F10-P115 HydrophobicContact CB-CG 3.83Å; F10-L119 HydrophobicContact CB-CD1 3.96Å; F10-L119 HydrophobicContact CD1-CD1 3.76Å; F10-L119 HydrophobicContact CD1-CD2 4.45Å; F10-L119 HydrophobicContact CD2-CD1 4.49Å; F10-L119 HydrophobicContact CE1-CD1 4.34Å; F10-L119 HydrophobicContact CG-CD1 3.84Å
11R91.5Very high85.1Confident34 Ų3459.9 Ų59.913%0.12835%0.347CS..EExtended strand (participates in β ladder)trans-149.4155.6178.661.5173.2176.7164.97.7113.5T8 F32 E39 T40T8-R11 PolarHBondContact N-O 2.8Å; T8-R11 WeakPolarHBondContact OG1-CG 3.28Å; T8-R11 PolarHBondContact OG1-N 3.01Å; T8-R11 PolarHBondContact OG1-O 3.44Å; R11-F32 VanDerWaalsContact CZ-O 3.27Å; R11-F32 PolarHBondContact NH1-O 3.25Å; R11-F32 PolarHBondContact NH2-O 3.41Å; R11-E39 WeakPolarHBondContact CD-OE1 3.49Å; R11-E39 IonicContact CZ-OE1 2.85Å; R11-E39 IonicContact NE-OE1 3.44Å; R11-E39 IonicContact NH1-OE1 3.37Å; R11-E39 PolarHBondContact NH1-OE1 3.02Å; R11-E39 IonicContact NH1-OE2 2.66Å; R11-E39 PolarHBondContact NH1-OE2 3.32Å; R11-T40 WeakPolarHBondContact CA-O 3.37Å
12L94.2Very high83.3Confident9 Ų956.7 Ų56.75%0.04734%0.34CS..EExtended strand (participates in β ladder)trans-103.7138.5163.9-178.966.2000109V5 C7 E39 T40 L42 I77 L98 L102V5-L12 HydrophobicContact CG1-CD1 3.44Å; V5-L12 VanDerWaalsContact CG1-CD1 3.44Å; V5-L12 HydrophobicContact CG1-CG 4.49Å; C7-L12 HydrophobicContact CB-CD1 4.34Å; L12-E39 WeakPolarHBondContact O-CA 3.15Å; L12-T40 HydrophobicContact CB-CG2 4Å; L12-T40 HydrophobicContact CD2-CG2 4.33Å; L12-T40 PolarHBondContact N-O 2.89Å; L12-T40 PolarHBondContact O-N 3.39Å; L12-L42 HydrophobicContact CB-CD2 3.73Å; L12-I77 HydrophobicContact CD2-CD1 3.3Å; L12-L98 HydrophobicContact CD1-CD1 4.13Å; L12-L102 HydrophobicContact CB-CD2 4.39Å; L12-L102 HydrophobicContact CD1-CD2 4.24Å; L12-L102 HydrophobicContact CD2-CD2 4.2Å
13L93Very high81.4Confident7 Ų757.5 Ų57.54%0.03733%0.334CS..EExtended strand (participates in β ladder)trans-136.2135.2173.6173.563000110.5Y6 F32 F38 E39Y6-L13 PolarHBondContact N-O 2.68Å; Y6-L13 PolarHBondContact O-N 3.25Å; L13-F32 HydrophobicContact CD2-CD1 3.95Å; L13-F32 HydrophobicContact CD2-CE1 3.64Å; L13-F32 HydrophobicContact CD2-CZ 4.46Å; L13-F38 WeakPolarHBondContact CA-O 3.34Å; L13-F38 HydrophobicContact CD1-CB 4.5Å; L13-E39 HydrophobicContact CB-CG 4.37Å; L13-E39 HydrophobicContact CD1-CB 3.88Å; L13-E39 HydrophobicContact CD1-CG 4.16Å
14F91.6Very high79.2Confident30 Ų3061 Ų6113%0.13235%0.353CS..EExtended strand (participates in β ladder)trans-104.4132.3164.3171.8-103.6000110.6M1 G3 V5 P16 F38M1-F14 HydrophobicContact CB-CE1 4.08Å; M1-F14 HydrophobicContact CB-CZ 4.04Å; M1-F14 HydrophobicContact CE-CE1 4.39Å; G3-F14 VanDerWaalsContact CA-CE2 3.49Å; V5-F14 HydrophobicContact CG2-CD2 3.9Å; F14-P16 HydrophobicContact CD1-CG 4.25Å; F14-P16 HydrophobicContact CE1-CB 4.23Å; F14-P16 HydrophobicContact CE1-CG 3.81Å; F14-F38 HydrophobicContact CB-CB 4.21Å; F14-F38 HydrophobicContact CD1-CB 4.37Å; F14-F38 HydrophobicContact CD1-CD1 4.32Å; F14-F38 HydrophobicContact CD1-CG 4.16Å; F14-F38 PolarHBondContact N-O 3.2Å; F14-F38 WeakPolarHBondContact O-CB 3.43Å
15R88Confident76.8Confident41 Ų4162.7 Ų62.716%0.15537%0.368CS..EExtended strand (participates in β ladder)trans-112.2113.2171.2-174.4177.6-175.7-177.1-1.1109.5G3 T4 Y6 D19 V20G3-R15 CarbonylContact C-O 3.59Å; G3-R15 WeakPolarHBondContact CA-O 3.5Å; T4-R15 PolarHBondContact N-O 3.43Å; T4-R15 PolarHBondContact O-N 3.33Å; Y6-R15 HydrophobicContact CE2-CB 4.14Å; R15-D19 HydrophobicContact CG-CB 4.38Å; R15-D19 PolarHBondContact NE-O 3.46Å; R15-D19 PolarHBondContact NH2-O 3.38Å; R15-V20 HydrophobicContact CG-CG2 4.38Å
16P88.6Confident74.4Confident10 Ų1069 Ų697%0.06539%0.393CS..EExtended strand (participates in β ladder)trans-56.7142.9173.2-21.430.8000111.9M1 F14 T18 D19 F38M1-P16 HydrophobicContact SD-CG 4.48Å; F14-P16 HydrophobicContact CD1-CG 4.25Å; F14-P16 HydrophobicContact CE1-CB 4.23Å; F14-P16 HydrophobicContact CE1-CG 3.81Å; P16-T18 PolarHBondContact O-N 3.34Å; P16-D19 HydrophobicContact CB-CB 4.36Å; P16-D19 WeakPolarHBondContact O-CB 3.47Å; P16-D19 PolarHBondContact O-N 2.91Å; P16-F38 HydrophobicContact CG-CD2 3.98Å; P16-F38 HydrophobicContact CG-CE2 3.69Å; P16-F38 HydrophobicContact CG-CZ 4.42Å
17A86Confident72.1Confident51 Ų5172.1 Ų72.142%0.42141%0.408SS..THydrogen-bonded Turntrans-61.1-33178.400000112.5V2 D19 V20V2-A17 PolarHBondContact O-N 3Å; A17-D19 PolarHBondContact O-N 3.19Å; A17-V20 WeakPolarHBondContact O-CB 3.36Å; A17-V20 PolarHBondContact O-N 3.04Å; A17-V20 VanDerWaalsContact O-N 3.09Å
18T81.3Confident69.7Low114 Ų11473.4 Ų73.470%0.69943%0.429SS*.Hα-helixtrans-58.6-31.7172.748.70000112.9P16 V20 A21P16-T18 PolarHBondContact O-N 3.34Å; T18-V20 VanDerWaalsContact C-N 3.3Å; T18-A21 PolarHBondContact O-N 3.35Å
19D68.7Low67.4Low61 Ų6179.2 Ų79.233%0.32646%0.457SS..Hα-helixtrans-83.8-6.7-179-144.744.5000112.4R15 P16 A17R15-D19 HydrophobicContact CG-CB 4.38Å; R15-D19 PolarHBondContact NE-O 3.46Å; R15-D19 PolarHBondContact NH2-O 3.38Å; P16-D19 HydrophobicContact CB-CB 4.36Å; P16-D19 WeakPolarHBondContact O-CB 3.47Å; P16-D19 PolarHBondContact O-N 2.91Å; A17-D19 PolarHBondContact O-N 3.19Å
20V57.1Low65.3Low75 Ų7583.2 Ų83.246%0.45548%0.477SS..Hα-helixtrans-80.7-36.9169.4-174.90000110.8R15 A17 T18 C22R15-V20 HydrophobicContact CG-CG2 4.38Å; A17-V20 WeakPolarHBondContact O-CB 3.36Å; A17-V20 PolarHBondContact O-N 3.04Å; A17-V20 VanDerWaalsContact O-N 3.09Å; T18-V20 VanDerWaalsContact C-N 3.3Å; V20-C22 VanDerWaalsContact C-N 3.31Å; V20-C22 PolarHBondContact O-N 2.94Å
21A51.7Low63.5Low95 Ų9588.6 Ų88.679%0.78550%0.495SS*.Hα-helixtrans-70.2-23.3179.700000114.1T18T18-A21 PolarHBondContact O-N 3.35Å
22C46.8Very low61.8Low104 Ų10490.9 Ų90.970%0.70351%0.506SS*.THydrogen-bonded Turntrans-100.7-3.5-162.7-143.90000115.5V20V20-C22 VanDerWaalsContact C-N 3.31Å; V20-C22 PolarHBondContact O-N 2.94Å
23K48.3Very low60.2Low141 Ų14196.8 Ų96.861%0.61354%0.536SS*.SBendtrans-142.2123.7-179-68.9178.7-176156.50112.1
24S42.8Very low58.8Low100 Ų10097.3 Ų97.370%0.69954%0.544SS*.  trans-65.5152.6178.653.80000112.9F26S24-F26 VanDerWaalsContact C-N 3.33Å; S24-F26 PolarHBondContact O-N 3.03Å
25S39.6Very low58.2Low102 Ų10298.6 Ų98.671%0.71355%0.552SS**  trans-73.466.9-165-62.70000115.6F27S25-F27 PolarHBondContact O-N 3.24Å
26F41.4Very low57.9Low175 Ų175101.3 Ų101.377%0.76858%0.575SS**  trans-7454.3163.1-85.2-80.2000112.3S24 G28S24-F26 VanDerWaalsContact C-N 3.33Å; S24-F26 PolarHBondContact O-N 3.03Å; F26-G28 PolarHBondContact O-N 3.35Å
27F44.2Very low57.8Low147 Ų147107.5 Ų107.565%0.64560%0.601SS**  trans-71.8-4.9179.1-97.2-93.8000114.4S25S25-F27 PolarHBondContact O-N 3.24Å
28G40.3Very low57.9Low71 Ų71107.5 Ų107.573%0.73259%0.591SS**SBendtrans-76.5-52.1-164.900000116.9F26F26-G28 PolarHBondContact O-N 3.35Å
29I42.9Very low58.4Low169 Ų169104.2 Ų104.287%0.86757%0.568SS**SBendtrans-137.2-25.7-159.9-59.4-178.1000114.1
30I43.2Very low59.6Low133 Ų133101.4 Ų101.468%0.68255%0.553SS**SBendtrans-87.3136.4-174.6-57.6178.3000109.9F32I30-F32 PolarHBondContact O-N 3.33Å
31R52.2Low61.3Low191 Ų191101.1 Ų101.172%0.72155%0.553SS**  trans-49.1129.7177.7-70.5179.8175.8174.7-1110.6I33R31-I33 VanDerWaalsContact C-N 3.34Å; R31-I33 HydrophobicContact CB-CD1 4.28Å; R31-I33 HydrophobicContact CB-CG1 4.2Å; R31-I33 WeakPolarHBondContact O-CG1 3.38Å; R31-I33 PolarHBondContact O-N 3.03Å
32F55.9Low63.4Low82 Ų8296.6 Ų96.636%0.3652%0.515SS..  trans-66.687.2176.4-169.1-114.2000110.3Y6 R11 L13 I30Y6-F32 HydrophobicContact CD2-CE1 4.08Å; Y6-F32 HydrophobicContact CD2-CZ 4.16Å; Y6-F32 HydrophobicContact CE2-CE1 4.32Å; Y6-F32 AromaticContact CE2-CZ 3.93Å; Y6-F32 HydrophobicContact CE2-CZ 3.93Å; Y6-F32 HydrophobicContact CG-CE1 4.25Å; R11-F32 VanDerWaalsContact CZ-O 3.27Å; R11-F32 PolarHBondContact NH1-O 3.25Å; R11-F32 PolarHBondContact NH2-O 3.41Å; L13-F32 HydrophobicContact CD2-CD1 3.95Å; L13-F32 HydrophobicContact CD2-CE1 3.64Å; L13-F32 HydrophobicContact CD2-CZ 4.46Å; I30-F32 PolarHBondContact O-N 3.33Å
33I60.4Low65.6Low133 Ų13394.8 Ų94.868%0.68250%0.498SS*.  trans-96.9120.9-178.9-66.9159000108R31R31-I33 VanDerWaalsContact C-N 3.34Å; R31-I33 HydrophobicContact CB-CD1 4.28Å; R31-I33 HydrophobicContact CB-CG1 4.2Å; R31-I33 WeakPolarHBondContact O-CG1 3.38Å; R31-I33 PolarHBondContact O-N 3.03Å
34G64Low67.8Low19 Ų1989.4 Ų89.420%0.19648%0.476CS..  trans-83.9179.6173.200000113.2P36 E39G34-P36 WeakPolarHBondContact O-CD 3.47Å; G34-E39 PolarHBondContact N-OE2 3.18Å
35D79.4Confident70.3Confident56 Ų5684.6 Ų84.630%0.29944%0.443SS..  trans-67.9123.7159.4-175.6-30.1000107.5K37 F38 E39D35-K37 PolarHBondContact O-N 2.96Å; D35-K37 VanDerWaalsContact OD1-CB 3.31Å; D35-K37 WeakPolarHBondContact OD1-CB 3.5Å; D35-K37 WeakPolarHBondContact OD1-CG 3.22Å; D35-K37 PolarHBondContact OD1-N 3.09Å; D35-K37 IonicContact OD1-NZ 3.4Å; D35-K37 IonicContact OD2-NZ 2.69Å; D35-K37 PolarHBondContact OD2-NZ 2.89Å; D35-F38 HydrophobicContact CB-CD2 4Å; D35-F38 HydrophobicContact CB-CE2 4.49Å; D35-F38 PolarHBondContact O-N 2.99Å; D35-E39 PolarHBondContact O-N 3.38Å
36P82.3Confident72.8Confident98 Ų9882.6 Ų82.664%0.63642%0.422SS*.G310 helixtrans-53.3-24177.5-28.436.6000114.8G34 F38 E39 R83G34-P36 WeakPolarHBondContact O-CD 3.47Å; P36-F38 PolarHBondContact O-N 2.99Å; P36-E39 PolarHBondContact O-N 3.48Å; P36-R83 PolarHBondContact O-NH1 2.78Å
37K84.7Confident75.3Confident140 Ų14076 Ų7661%0.60939%0.393SS*.G310 helixtrans-60.5-30.6172.8-63.6169.5-154.4133.60112.7D35 F85D35-K37 PolarHBondContact O-N 2.96Å; D35-K37 VanDerWaalsContact OD1-CB 3.31Å; D35-K37 WeakPolarHBondContact OD1-CB 3.5Å; D35-K37 WeakPolarHBondContact OD1-CG 3.22Å; D35-K37 PolarHBondContact OD1-N 3.09Å; D35-K37 IonicContact OD1-NZ 3.4Å; D35-K37 IonicContact OD2-NZ 2.69Å; D35-K37 PolarHBondContact OD2-NZ 2.89Å; K37-F85 WeakPolarHBondContact O-CE1 3.45Å
38F88.8Confident77.7Confident51 Ų5169 Ų6922%0.22436%0.363CS..G310 helixtrans-109.45.3-176.4-54.1-43.6000113.4M1 L13 F14 P16 D35 P36M1-F38 HydrophobicContact CE-CE1 3.59Å; M1-F38 HydrophobicContact CE-CZ 3.68Å; M1-F38 HydrophobicContact SD-CZ 4.15Å; L13-F38 WeakPolarHBondContact CA-O 3.34Å; L13-F38 HydrophobicContact CD1-CB 4.5Å; F14-F38 HydrophobicContact CB-CB 4.21Å; F14-F38 HydrophobicContact CD1-CB 4.37Å; F14-F38 HydrophobicContact CD1-CD1 4.32Å; F14-F38 HydrophobicContact CD1-CG 4.16Å; F14-F38 PolarHBondContact N-O 3.2Å; F14-F38 WeakPolarHBondContact O-CB 3.43Å; P16-F38 HydrophobicContact CG-CD2 3.98Å; P16-F38 HydrophobicContact CG-CE2 3.69Å; P16-F38 HydrophobicContact CG-CZ 4.42Å; D35-F38 HydrophobicContact CB-CD2 4Å; D35-F38 HydrophobicContact CB-CE2 4.49Å; D35-F38 PolarHBondContact O-N 2.99Å; P36-F38 PolarHBondContact O-N 2.99Å
39E91.9Very high80.3Confident45 Ų4567.2 Ų67.221%0.2134%0.335CS..EExtended strand (participates in β ladder)trans-111.4135.8177.7-159.7169.714000111.3R11 L12 L13 G34 D35 P36 R83R11-E39 WeakPolarHBondContact CD-OE1 3.49Å; R11-E39 IonicContact CZ-OE1 2.85Å; R11-E39 IonicContact NE-OE1 3.44Å; R11-E39 IonicContact NH1-OE1 3.37Å; R11-E39 PolarHBondContact NH1-OE1 3.02Å; R11-E39 IonicContact NH1-OE2 2.66Å; R11-E39 PolarHBondContact NH1-OE2 3.32Å; L12-E39 WeakPolarHBondContact O-CA 3.15Å; L13-E39 HydrophobicContact CB-CG 4.37Å; L13-E39 HydrophobicContact CD1-CB 3.88Å; L13-E39 HydrophobicContact CD1-CG 4.16Å; G34-E39 PolarHBondContact N-OE2 3.18Å; D35-E39 PolarHBondContact O-N 3.38Å; P36-E39 PolarHBondContact O-N 3.48Å; E39-R83 PolarHBondContact O-NH1 3.38Å; E39-R83 PolarHBondContact O-NH2 3.13Å; E39-R83 VanDerWaalsContact O-NH2 3.13Å
40T93.5Very high82.8Confident2 Ų261.2 Ų61.21%0.01230%0.302CS..EExtended strand (participates in β ladder)trans-141.8131.9172.4-171.30000110.8R11 L12 N44 F85R11-T40 WeakPolarHBondContact CA-O 3.37Å; L12-T40 HydrophobicContact CB-CG2 4Å; L12-T40 HydrophobicContact CD2-CG2 4.33Å; L12-T40 PolarHBondContact N-O 2.89Å; L12-T40 PolarHBondContact O-N 3.39Å; T40-N44 PolarHBondContact OG1-ND2 2.74Å; T40-F85 HydrophobicContact CG2-CD2 4.36Å; T40-F85 HydrophobicContact CG2-CE2 3.83Å; T40-F85 HydrophobicContact CG2-CZ 4.27Å
41P93.6Very high85.2Confident69 Ų6954.9 Ų54.945%0.44827%0.27SS..EExtended strand (participates in β ladder)trans-60.7143.2169.9-20.932.5000110.5F10 L43 N44F10-P41 CarbonylContact O-C 3.55Å; F10-P41 WeakPolarHBondContact O-CA 3.42Å; P41-L43 VanDerWaalsContact C-N 3.27Å; P41-L43 PolarHBondContact O-N 3.47Å; P41-N44 HydrophobicContact CB-CB 4.16Å; P41-N44 HydrophobicContact CG-CB 4.33Å; P41-N44 WeakPolarHBondContact O-CA 3.42Å; P41-N44 VanDerWaalsContact O-CB 3.23Å; P41-N44 WeakPolarHBondContact O-CB 3.44Å; P41-N44 PolarHBondContact O-N 2.98Å
42L94.4Very high87Confident0 Ų046.6 Ų46.60%024%0.24CC..G310 helixtrans-65.3-33.9-179.6-62.9-169.2000112.1T8 F10 L12 N44 I45 L102 Y105 S106T8-L42 WeakPolarHBondContact O-CD1 3.39Å; F10-L42 PolarHBondContact O-N 3.3Å; L12-L42 HydrophobicContact CB-CD2 3.73Å; L42-N44 PolarHBondContact O-N 3.49Å; L42-N44 VanDerWaalsContact O-N 3.16Å; L42-I45 HydrophobicContact CD2-CD1 3.85Å; L42-I45 WeakPolarHBondContact O-CB 3.13Å; L42-I45 PolarHBondContact O-N 2.8Å; L42-L102 HydrophobicContact CD2-CD2 3.48Å; L42-L102 VanDerWaalsContact CD2-CD2 3.48Å; L42-Y105 VanDerWaalsContact CD1-CB 3.44Å; L42-Y105 HydrophobicContact CD1-CG 4.44Å; L42-S106 WeakPolarHBondContact O-CB 3.25Å
43L93.6Very high88.5Confident67 Ų6750 Ų5035%0.35126%0.255SS..G310 helixtrans-66.7-12.7172.3-55.7-173.1000114P41 K80 P108 F114P41-L43 VanDerWaalsContact C-N 3.27Å; P41-L43 PolarHBondContact O-N 3.47Å; L43-K80 PolarHBondContact O-NZ 2.91Å; L43-P108 HydrophobicContact CD2-CG 4.08Å; L43-F114 HydrophobicContact CD1-CD1 3.8Å; L43-F114 HydrophobicContact CD1-CE1 4.29Å; L43-F114 HydrophobicContact CD2-CD1 3.79Å; L43-F114 HydrophobicContact CD2-CE1 3.94Å; L43-F114 HydrophobicContact CG-CD1 4.46Å
44N94.6Very high89.7Confident27 Ų2749.6 Ų49.614%0.14426%0.259CS..G310 helixtrans-83.3-16.1171.9-178.849000112.1T40 P41 L42 H46 C79 K80 D81T40-N44 PolarHBondContact OG1-ND2 2.74Å; P41-N44 HydrophobicContact CB-CB 4.16Å; P41-N44 HydrophobicContact CG-CB 4.33Å; P41-N44 WeakPolarHBondContact O-CA 3.42Å; P41-N44 VanDerWaalsContact O-CB 3.23Å; P41-N44 WeakPolarHBondContact O-CB 3.44Å; P41-N44 PolarHBondContact O-N 2.98Å; L42-N44 PolarHBondContact O-N 3.49Å; L42-N44 VanDerWaalsContact O-N 3.16Å; N44-H46 PolarHBondContact O-N 3.34Å; N44-C79 CarbonylContact O-C 3.58Å; N44-C79 WeakPolarHBondContact O-CA 3.47Å; N44-K80 WeakPolarHBondContact O-CB 3.44Å; N44-K80 WeakPolarHBondContact O-CG 3.49Å; N44-K80 PolarHBondContact O-N 3.07Å; N44-D81 PolarHBondContact ND2-OD1 2.98Å; N44-D81 PolarHBondContact ND2-OD2 3.2Å; N44-D81 PolarHBondContact OD1-N 2.88Å
45I95.1Very high90.6Very high0 Ų051.7 Ų51.70%027%0.265CS..EExtended strand (participates in β ladder)trans-67.3130.7174.5-61.5175.6000108.7L42 L48 I77 K80 L102 F107L42-I45 HydrophobicContact CD2-CD1 3.85Å; L42-I45 WeakPolarHBondContact O-CB 3.13Å; L42-I45 PolarHBondContact O-N 2.8Å; I45-L48 HydrophobicContact CG2-CD2 3.88Å; I45-L48 HydrophobicContact CG2-CG 4.22Å; I45-I77 HydrophobicContact CB-CG2 4.29Å; I45-I77 HydrophobicContact CD1-CG2 3.58Å; I45-I77 HydrophobicContact CG1-CG2 3.59Å; I45-I77 HydrophobicContact CG2-CG2 3.8Å; I45-K80 WeakPolarHBondContact O-CE 3.24Å; I45-K80 PolarHBondContact O-NZ 2.52Å; I45-L102 HydrophobicContact CD1-CD2 3.98Å; I45-F107 HydrophobicContact CG2-CZ 4.02Å
46H92.8Very high90.7Very high60 Ų6051.6 Ų51.628%0.27827%0.269SS..EExtended strand (participates in β ladder)trans-96.5-48177.3169.588.6000110.6N44 L78 K80 E263 R266N44-H46 PolarHBondContact O-N 3.34Å; H46-L78 WeakPolarHBondContact CA-O 3.27Å; H46-L78 WeakPolarHBondContact CB-O 3.41Å; H46-L78 PolarHBondContact N-O 3.19Å; H46-K80 HydrophobicContact CB-CG 3.78Å; H46-E263 IonicContact CE1-OE2 3.16Å; H46-E263 PolarHBondContact CE1-OE2 3.44Å; H46-E263 VanDerWaalsContact CE1-OE2 3.26Å; H46-E263 IonicContact NE2-OE1 3.76Å; H46-E263 IonicContact NE2-OE2 3.28Å; H46-E263 PolarHBondContact NE2-OE2 2.99Å; H46-R266 PolarHBondContact CD2-NE 3.01Å; H46-R266 VanDerWaalsContact CD2-NE 3.3Å; H46-R266 PolarHBondContact CD2-NH2 3.22Å; H46-R266 PolarHBondContact NE2-NE 2.79Å; H46-R266 PolarHBondContact NE2-NH2 2.92Å
47H93.1Very high90.6Very high36 Ų3655.7 Ų55.717%0.16728%0.277CS..EExtended strand (participates in β ladder)trans-149151.6-175-170.5-118.7000110.9E49 H63 L78H47-E49 IonicContact CE1-OE1 2.98Å; H47-E49 WeakPolarHBondContact ND1-CG 3.22Å; H47-E49 IonicContact ND1-OE1 2.78Å; H47-E49 PolarHBondContact ND1-OE1 3.49Å; H47-H63 AromaticContact CD2-CE1 3.94Å; H47-H63 AromaticContact NE2-CE1 3.33Å; H47-H63 PolarHBondContact NE2-CE1 3.32Å; H47-H63 VanDerWaalsContact NE2-CE1 3.33Å; H47-L78 HydrophobicContact CB-CB 4.38Å; H47-L78 HydrophobicContact CB-CD1 4.28Å; H47-L78 PolarHBondContact N-O 2.94Å; H47-L78 VanDerWaalsContact N-O 3.11Å; H47-L78 PolarHBondContact O-N 3.45Å
48L95.8Very high90.8Very high0 Ų055.1 Ų55.10%028%0.275CS..EExtended strand (participates in β ladder)trans-119.4139.7174.4-65.9178.7000108.9I45 L62 I77 L102 L103 F107I45-L48 HydrophobicContact CG2-CD2 3.88Å; I45-L48 HydrophobicContact CG2-CG 4.22Å; L48-L62 HydrophobicContact CB-CB 4.01Å; L48-L62 HydrophobicContact CB-CD2 4.16Å; L48-L62 HydrophobicContact CD1-CD2 4.26Å; L48-L62 WeakPolarHBondContact O-CB 3.34Å; L48-L62 PolarHBondContact O-N 3.22Å; L48-I77 HydrophobicContact CD2-CB 4.14Å; L48-I77 HydrophobicContact CD2-CG1 3.82Å; L48-I77 HydrophobicContact CD2-CG2 3.89Å; L48-L102 HydrophobicContact CD1-CB 4.02Å; L48-L103 HydrophobicContact CD1-CD2 4Å; L48-L103 HydrophobicContact CD1-CG 4.12Å; L48-F107 HydrophobicContact CD1-CE2 3.94Å; L48-F107 HydrophobicContact CG-CE2 4.09Å; L48-F107 HydrophobicContact CG-CZ 4.33Å
49E94.7Very high90.9Very high33 Ų3354.8 Ų54.815%0.15427%0.273CS..EExtended strand (participates in β ladder)trans-136.8152.4173.5-55.2170.6-178.700110H47 F59 K60 L75 K76 L78H47-E49 IonicContact CE1-OE1 2.98Å; H47-E49 WeakPolarHBondContact ND1-CG 3.22Å; H47-E49 IonicContact ND1-OE1 2.78Å; H47-E49 PolarHBondContact ND1-OE1 3.49Å; E49-F59 HydrophobicContact CB-CB 3.94Å; E49-F59 HydrophobicContact CB-CD1 4.13Å; E49-F59 HydrophobicContact CB-CG 4.49Å; E49-F59 WeakPolarHBondContact OE2-CB 3.49Å; E49-K60 CarbonylContact C-O 3.5Å; E49-K60 WeakPolarHBondContact CA-O 3.36Å; E49-K60 WeakPolarHBondContact CB-O 3.45Å; E49-L75 CarbonylContact O-C 3.59Å; E49-L75 WeakPolarHBondContact O-CA 3.3Å; E49-K76 HydrophobicContact CB-CB 4.3Å; E49-K76 PolarHBondContact N-O 3.42Å; E49-K76 PolarHBondContact O-N 2.95Å; E49-K76 WeakPolarHBondContact OE2-CE 3.26Å; E49-K76 IonicContact OE2-NZ 3.12Å; E49-K76 PolarHBondContact OE2-NZ 3.21Å; E49-L78 HydrophobicContact CG-CD1 3.92Å
50Y94.4Very high90.9Very high44 Ų4456.3 Ų56.317%0.17328%0.279CS..EExtended strand (participates in β ladder)trans-133.5154.1177.675.1-76.6000112.2T52 F59 K60 L62 I72 S74Y50-T52 HydrophobicContact CD2-CG2 4.31Å; Y50-T52 HydrophobicContact CE2-CG2 3.82Å; Y50-F59 CarbonylContact O-C 3.55Å; Y50-F59 WeakPolarHBondContact O-CA 3.39Å; Y50-K60 HydrophobicContact CD1-CB 4.39Å; Y50-K60 WeakPolarHBondContact CD1-O 3.4Å; Y50-K60 HydrophobicContact CE1-CB 4.04Å; Y50-K60 PolarHBondContact N-O 2.87Å; Y50-K60 PolarHBondContact O-N 3.02Å; Y50-L62 HydrophobicContact CD1-CB 4.13Å; Y50-L62 HydrophobicContact CD1-CD1 3.84Å; Y50-L62 HydrophobicContact CE1-CD1 4.02Å; Y50-I72 HydrophobicContact CD2-CD1 4.27Å; Y50-I72 HydrophobicContact CD2-CG1 3.77Å; Y50-I72 HydrophobicContact CG-CD1 4.03Å; Y50-I72 HydrophobicContact CG-CG1 4.05Å; Y50-S74 CarbonylContact C-O 3.29Å; Y50-S74 VanDerWaalsContact CA-O 3.3Å; Y50-S74 WeakPolarHBondContact CA-O 3.33Å
51S93.4Very high90.9Very high0 Ų059.9 Ų59.90%030%0.302CS..EExtended strand (participates in β ladder)trans-115.6151.3167.667.30000110.8S56 Y73 S74S51-S56 VanDerWaalsContact CB-O 3.32Å; S51-S56 WeakPolarHBondContact CB-O 3.05Å; S51-S56 PolarHBondContact OG-O 2.87Å; S51-Y73 WeakPolarHBondContact O-CB 3.23Å; S51-Y73 PolarHBondContact O-N 3.16Å; S51-S74 PolarHBondContact N-O 2.99Å; S51-S74 PolarHBondContact O-N 2.75Å
52T91.1Very high90.9Very high17 Ų1756.8 Ų56.810%0.10428%0.282CS..EExtended strand (participates in β ladder)trans-97.4160.4178.754.20000110.3Y50 T54 D55 S56Y50-T52 HydrophobicContact CD2-CG2 4.31Å; Y50-T52 HydrophobicContact CE2-CG2 3.82Å; T52-T54 PolarHBondContact O-N 3.31Å; T52-T54 VanDerWaalsContact O-N 3.14Å; T52-T54 PolarHBondContact OG1-OG1 3.43Å; T52-D55 CarbonylContact O-C 3.21Å; T52-D55 PolarHBondContact O-N 3.18Å; T52-S56 WeakPolarHBondContact O-CA 3.37Å; T52-S56 PolarHBondContact O-N 3.18Å; T52-S56 VanDerWaalsContact O-N 3.14Å
53K86.4Confident90.6Very high152 Ų15263.7 Ų63.766%0.66131%0.314SS*.THydrogen-bonded Turntrans-59-29.6178.8-174.7178.6177.2-177.70112.6Y73K53-Y73 HydrophobicContact CB-CD2 4.03Å; K53-Y73 HydrophobicContact CG-CD2 4.09Å; K53-Y73 HydrophobicContact CG-CE2 4.5Å
54T84.9Confident90.5Very high125 Ų12564.4 Ų64.477%0.76732%0.324SS*.THydrogen-bonded Turntrans-73.6-22.8176.345.60000115.1T52T52-T54 PolarHBondContact O-N 3.31Å; T52-T54 VanDerWaalsContact O-N 3.14Å; T52-T54 PolarHBondContact OG1-OG1 3.43Å
55D84.6Confident90.4Very high63 Ų6369 Ų6934%0.33734%0.343SS..EExtended strand (participates in β ladder)trans-150.364.8-177.1-167.8-6.4000109.5T52 K57 K58T52-D55 CarbonylContact O-C 3.21Å; T52-D55 PolarHBondContact O-N 3.18Å; D55-K57 PolarHBondContact O-N 3.29Å; D55-K57 VanDerWaalsContact O-N 3.12Å; D55-K58 HydrophobicContact CB-CB 4.37Å; D55-K58 PolarHBondContact O-N 3.11Å; D55-K58 VanDerWaalsContact O-N 3.14Å; D55-K58 WeakPolarHBondContact OD1-CB 3.5Å; D55-K58 PolarHBondContact OD1-N 2.98Å; D55-K58 WeakPolarHBondContact OD2-CB 3.41Å; D55-K58 WeakPolarHBondContact OD2-CD 3.41Å
56S81.2Confident90.3Very high55 Ų5569.8 Ų69.839%0.38535%0.347SS..EExtended strand (participates in β ladder)trans-64.6-18-17158.50000114.1S51 T52S51-S56 VanDerWaalsContact CB-O 3.32Å; S51-S56 WeakPolarHBondContact CB-O 3.05Å; S51-S56 PolarHBondContact OG-O 2.87Å; T52-S56 WeakPolarHBondContact O-CA 3.37Å; T52-S56 PolarHBondContact O-N 3.18Å; T52-S56 VanDerWaalsContact O-N 3.14Å
57K80.7Confident90.1Very high183 Ų18369.1 Ų69.180%0.79635%0.349SS*.EExtended strand (participates in β ladder)trans-86.9-27.7177.1-65.6-176.5179.4179.60113D55 F59D55-K57 PolarHBondContact O-N 3.29Å; D55-K57 VanDerWaalsContact O-N 3.12Å; K57-F59 PolarHBondContact O-N 2.84Å
58K87.4Confident89.6Confident128 Ų12876.4 Ų76.456%0.55738%0.381SS*.EExtended strand (participates in β ladder)trans-93.4103.3-176.6-167.4176-172.8172.20111.2D55D55-K58 HydrophobicContact CB-CB 4.37Å; D55-K58 PolarHBondContact O-N 3.11Å; D55-K58 VanDerWaalsContact O-N 3.14Å; D55-K58 WeakPolarHBondContact OD1-CB 3.5Å; D55-K58 PolarHBondContact OD1-N 2.98Å; D55-K58 WeakPolarHBondContact OD2-CB 3.41Å; D55-K58 WeakPolarHBondContact OD2-CD 3.41Å
59F90.6Very high89.1Confident44 Ų4481.1 Ų81.119%0.19341%0.41CS..EExtended strand (participates in β ladder)trans-76140.1171.8-74.5-88.1000111.3E49 Y50 K57 K76 T86E49-F59 HydrophobicContact CB-CB 3.94Å; E49-F59 HydrophobicContact CB-CD1 4.13Å; E49-F59 HydrophobicContact CB-CG 4.49Å; E49-F59 WeakPolarHBondContact OE2-CB 3.49Å; Y50-F59 CarbonylContact O-C 3.55Å; Y50-F59 WeakPolarHBondContact O-CA 3.39Å; K57-F59 PolarHBondContact O-N 2.84Å; F59-K76 HydrophobicContact CD1-CB 3.68Å; F59-K76 VanDerWaalsContact CD2-CE 3.5Å; F59-K76 HydrophobicContact CE1-CB 3.69Å; F59-K76 HydrophobicContact CG-CB 4.38Å; F59-K76 VanDerWaalsContact CG-CE 3.42Å; F59-K76 HydrophobicContact CZ-CB 4.38Å; F59-T86 HydrophobicContact CZ-CG2 4.13Å
60K92.1Very high88.8Confident78 Ų7882.2 Ų82.234%0.33942%0.417SS..EExtended strand (participates in β ladder)trans-121.2139.5178.5-61.9170.8-172.1164.10109.1E49 Y50E49-K60 CarbonylContact C-O 3.5Å; E49-K60 WeakPolarHBondContact CA-O 3.36Å; E49-K60 WeakPolarHBondContact CB-O 3.45Å; Y50-K60 HydrophobicContact CD1-CB 4.39Å; Y50-K60 WeakPolarHBondContact CD1-O 3.4Å; Y50-K60 HydrophobicContact CE1-CB 4.04Å; Y50-K60 PolarHBondContact N-O 2.87Å; Y50-K60 PolarHBondContact O-N 3.02Å
61P93.7Very high88.4Confident76 Ų7685.5 Ų85.549%0.49443%0.434SS..EExtended strand (participates in β ladder)trans-52.8140.2173.5-27.836000113H63P61-H63 WeakPolarHBondContact CB-NE2 3.45Å
62L93.2Very high88.2Confident5 Ų586.3 Ų86.33%0.02644%0.438CS..  trans-114.7114.1176.7-173.672.7000110.3L48 Y50 L66 L75 V99 L103L48-L62 HydrophobicContact CB-CB 4.01Å; L48-L62 HydrophobicContact CB-CD2 4.16Å; L48-L62 HydrophobicContact CD1-CD2 4.26Å; L48-L62 WeakPolarHBondContact O-CB 3.34Å; L48-L62 PolarHBondContact O-N 3.22Å; Y50-L62 HydrophobicContact CD1-CB 4.13Å; Y50-L62 HydrophobicContact CD1-CD1 3.84Å; Y50-L62 HydrophobicContact CE1-CD1 4.02Å; L62-L66 HydrophobicContact CD1-CD2 3.87Å; L62-L75 HydrophobicContact CD2-CD1 4.37Å; L62-V99 HydrophobicContact CD2-CG1 3.29Å; L62-L103 HydrophobicContact CD2-CD1 3.98Å; L62-L103 HydrophobicContact CD2-CD2 4.24Å; L62-L103 HydrophobicContact CD2-CG 4.17Å; L62-L103 HydrophobicContact CG-CD1 4.17Å; L62-L103 HydrophobicContact CG-CD2 4.21Å
63H90Very high88.2Confident145 Ų14588.3 Ų88.367%0.67144%0.444SS*.  trans-127.1-17.1-179.3-53.8-41.9000113.6H47 P61H47-H63 AromaticContact CD2-CE1 3.94Å; H47-H63 AromaticContact NE2-CE1 3.33Å; H47-H63 PolarHBondContact NE2-CE1 3.32Å; H47-H63 VanDerWaalsContact NE2-CE1 3.33Å; P61-H63 WeakPolarHBondContact CB-NE2 3.45Å
64S91.6Very high88.6Confident81 Ų8181.6 Ų81.657%0.56642%0.416SS*.SBendtrans-111.7147.3-178.953.60000111.1L103S64-L103 VanDerWaalsContact O-CD1 3.26Å; S64-L103 WeakPolarHBondContact O-CD1 3.39Å
65F92.4Very high89.1Confident124 Ų12475.7 Ų75.754%0.54438%0.38SS..PPolyproline II helixtrans-58.2141.3168.2-72-90.9000110.8N100 L103 Q104F65-N100 HydrophobicContact CD1-CB 3.81Å; F65-N100 HydrophobicContact CE1-CB 4.29Å; F65-N100 WeakPolarHBondContact CE1-O 3.42Å; F65-L103 HydrophobicContact CE1-CB 4.22Å; F65-L103 HydrophobicContact CZ-CB 4.38Å; F65-Q104 HydrophobicContact CE1-CB 4.19Å; F65-Q104 HydrophobicContact CZ-CB 4.16Å
66L91.4Very high89.5Confident16 Ų1673.1 Ų73.18%0.08437%0.366CS..PPolyproline II helixtrans-78133.6178.1-59.9173.9000110.9L62 D70 I72 K96 V99 N100L62-L66 HydrophobicContact CD1-CD2 3.87Å; L66-D70 HydrophobicContact CB-CB 4.4Å; L66-D70 HydrophobicContact CD2-CB 3.95Å; L66-I72 HydrophobicContact CD1-CD1 3.49Å; L66-I72 VanDerWaalsContact CD1-CD1 3.49Å; L66-I72 HydrophobicContact CD1-CG1 3.98Å; L66-I72 HydrophobicContact CD2-CD1 4.3Å; L66-I72 HydrophobicContact CD2-CG1 4.48Å; L66-I72 HydrophobicContact CG-CD1 4.5Å; L66-K96 HydrophobicContact CD1-CG 4.5Å; L66-V99 HydrophobicContact CD1-CB 3.84Å; L66-V99 HydrophobicContact CD1-CG1 3.59Å; L66-V99 HydrophobicContact CG-CG1 4.18Å; L66-N100 PolarHBondContact N-OD1 2.7Å; L66-N100 PolarHBondContact O-ND2 3.37Å; L66-N100 VanDerWaalsContact O-ND2 3.09Å
67S90.3Very high90.2Very high46 Ų4670.5 Ų70.532%0.32235%0.347SS..PPolyproline II helixtrans-81.3172.8171.970.10000112.3T69 D70 K96S67-T69 PolarHBondContact O-N 2.87Å; S67-T69 PolarHBondContact OG-N 3.31Å; S67-T69 PolarHBondContact OG-OG1 2.98Å; S67-D70 VanDerWaalsContact CB-OD2 3.3Å; S67-D70 WeakPolarHBondContact CB-OD2 3.24Å; S67-D70 PolarHBondContact N-OD2 2.8Å; S67-D70 PolarHBondContact O-N 2.87Å; S67-D70 PolarHBondContact OG-N 3.23Å; S67-D70 PolarHBondContact OG-OD2 2.74Å; S67-K96 PolarHBondContact O-NZ 2.89Å
68F82.6Confident90.8Very high190 Ų19062.2 Ų62.283%0.83331%0.312SS*.SBendtrans-63.3-22.7171.171.6-85.9000112.9K96F68-K96 PolarHBondContact O-NZ 3.08Å
69T85Confident91.1Very high98 Ų9856.2 Ų56.260%0.60129%0.286SS*.SBendtrans-85.5-23.7177.741.60000115.4S67 E71S67-T69 PolarHBondContact O-N 2.87Å; S67-T69 PolarHBondContact OG-N 3.31Å; S67-T69 PolarHBondContact OG-OG1 2.98Å; T69-E71 PolarHBondContact O-N 2.69Å
70D87.6Confident91.1Very high57 Ų5758.3 Ų58.331%0.30530%0.295SS..  trans-71.4127.5-172.4-64-54.4000113.3L66 S67 K96L66-D70 HydrophobicContact CB-CB 4.4Å; L66-D70 HydrophobicContact CD2-CB 3.95Å; S67-D70 VanDerWaalsContact CB-OD2 3.3Å; S67-D70 WeakPolarHBondContact CB-OD2 3.24Å; S67-D70 PolarHBondContact N-OD2 2.8Å; S67-D70 PolarHBondContact O-N 2.87Å; S67-D70 PolarHBondContact OG-N 3.23Å; S67-D70 PolarHBondContact OG-OD2 2.74Å; D70-K96 WeakPolarHBondContact O-CE 3.48Å; D70-K96 PolarHBondContact O-NZ 3.17Å
71E85.8Confident91Very high112 Ų11257.5 Ų57.552%0.52329%0.294SS..  trans-86.5128.8172-68.4-163.3157.100111.8T69T69-E71 PolarHBondContact O-N 2.69Å
72I90.1Very high90.9Very high17 Ų1757.2 Ų57.29%0.08729%0.285CS..  trans-113.3133.6161.6-82.3-162.1000109.4Y50 L66 L89 V99Y50-I72 HydrophobicContact CD2-CD1 4.27Å; Y50-I72 HydrophobicContact CD2-CG1 3.77Å; Y50-I72 HydrophobicContact CG-CD1 4.03Å; Y50-I72 HydrophobicContact CG-CG1 4.05Å; L66-I72 HydrophobicContact CD1-CD1 3.49Å; L66-I72 VanDerWaalsContact CD1-CD1 3.49Å; L66-I72 HydrophobicContact CD1-CG1 3.98Å; L66-I72 HydrophobicContact CD2-CD1 4.3Å; L66-I72 HydrophobicContact CD2-CG1 4.48Å; L66-I72 HydrophobicContact CG-CD1 4.5Å; I72-L89 HydrophobicContact CG2-CB 4.25Å; I72-L89 HydrophobicContact CG2-CD1 3.94Å; I72-V99 HydrophobicContact CD1-CG1 4.17Å; I72-V99 HydrophobicContact CD1-CG2 4.07Å
73Y91.5Very high90.7Very high60 Ų6060.3 Ų60.324%0.23530%0.297CS..SBendtrans-105.1-52.9171.4-174.4-91.6000110.5S51 K53 L89 H90S51-Y73 WeakPolarHBondContact O-CB 3.23Å; S51-Y73 PolarHBondContact O-N 3.16Å; K53-Y73 HydrophobicContact CB-CD2 4.03Å; K53-Y73 HydrophobicContact CG-CD2 4.09Å; K53-Y73 HydrophobicContact CG-CE2 4.5Å; Y73-L89 PolarHBondContact O-N 3.36Å; Y73-H90 HydrophobicContact CD2-CB 3.61Å; Y73-H90 HydrophobicContact CE2-CB 3.48Å; Y73-H90 VanDerWaalsContact CE2-CB 3.48Å; Y73-H90 AromaticContact CE2-CG 3.77Å; Y73-H90 HydrophobicContact CG-CB 4.36Å; Y73-H90 AromaticContact CZ-ND1 3.8Å; Y73-H90 PolarHBondContact O-N 2.87Å
74S93.5Very high90.7Very high11 Ų1155.9 Ų55.98%0.07728%0.279CS..EExtended strand (participates in β ladder)trans-134.3152.7172.8-51.70000111.7Y50 S51 L87 D88Y50-S74 CarbonylContact C-O 3.29Å; Y50-S74 VanDerWaalsContact CA-O 3.3Å; Y50-S74 WeakPolarHBondContact CA-O 3.33Å; S51-S74 PolarHBondContact N-O 2.99Å; S51-S74 PolarHBondContact O-N 2.75Å; S74-L87 CarbonylContact C-O 3.41Å; S74-L87 VanDerWaalsContact CA-O 3.31Å; S74-L87 WeakPolarHBondContact CA-O 3.5Å; S74-L87 WeakPolarHBondContact CB-O 3.45Å; S74-D88 PolarHBondContact OG-OD1 2.99Å
75L94.9Very high90.8Very high0 Ų053.6 Ų53.60%026%0.26CS..EExtended strand (participates in β ladder)trans-119.1130176.8-179.980.3000109.3E49 L62 I77 T86 L87 L89 V99 L102E49-L75 CarbonylContact O-C 3.59Å; E49-L75 WeakPolarHBondContact O-CA 3.3Å; L62-L75 HydrophobicContact CD2-CD1 4.37Å; L75-I77 HydrophobicContact CD2-CD1 3.85Å; L75-I77 HydrophobicContact CD2-CG1 3.82Å; L75-I77 HydrophobicContact CG-CG1 4.07Å; L75-T86 WeakPolarHBondContact O-CA 3.47Å; L75-L87 HydrophobicContact CD2-CD1 4.45Å; L75-L87 PolarHBondContact N-O 2.89Å; L75-L87 PolarHBondContact O-N 2.89Å; L75-L89 HydrophobicContact CB-CD1 3.7Å; L75-L89 HydrophobicContact CD2-CD1 4.45Å; L75-V99 HydrophobicContact CD1-CG1 4.36Å; L75-V99 HydrophobicContact CD1-CG2 3.88Å; L75-V99 HydrophobicContact CD2-CG2 3.81Å; L75-V99 HydrophobicContact CG-CG2 4.33Å; L75-L102 HydrophobicContact CD2-CD1 3.66Å
76K93.8Very high90.7Very high9 Ų952 Ų524%0.03926%0.26CS..EExtended strand (participates in β ladder)trans-107.4130.6171-167.8-163.4-52.9161.90109.1E49 F59 L78 V84 F85 E272E49-K76 HydrophobicContact CB-CB 4.3Å; E49-K76 PolarHBondContact N-O 3.42Å; E49-K76 PolarHBondContact O-N 2.95Å; E49-K76 WeakPolarHBondContact OE2-CE 3.26Å; E49-K76 IonicContact OE2-NZ 3.12Å; E49-K76 PolarHBondContact OE2-NZ 3.21Å; F59-K76 HydrophobicContact CD1-CB 3.68Å; F59-K76 VanDerWaalsContact CD2-CE 3.5Å; F59-K76 HydrophobicContact CE1-CB 3.69Å; F59-K76 HydrophobicContact CG-CB 4.38Å; F59-K76 VanDerWaalsContact CG-CE 3.42Å; F59-K76 HydrophobicContact CZ-CB 4.38Å; K76-L78 HydrophobicContact CD-CD1 3.99Å; K76-L78 HydrophobicContact CD-CG 4.32Å; K76-L78 HydrophobicContact CG-CD1 4.19Å; K76-V84 HydrophobicContact CD-CG1 3.98Å; K76-V84 HydrophobicContact CG-CG1 3.58Å; K76-F85 CarbonylContact C-O 3.6Å; K76-F85 WeakPolarHBondContact CA-O 3.33Å; K76-E272 WeakPolarHBondContact CE-OE1 3.5Å; K76-E272 IonicContact NZ-OE1 2.77Å; K76-E272 PolarHBondContact NZ-OE1 3Å
77I95.2Very high90.8Very high0 Ų052.2 Ų52.20%026%0.261CS..EExtended strand (participates in β ladder)trans-118.8107.4-177.3-51.2-178.9000107.7L12 I45 L48 L75 V84 F85 L87 L102L12-I77 HydrophobicContact CD2-CD1 3.3Å; I45-I77 HydrophobicContact CB-CG2 4.29Å; I45-I77 HydrophobicContact CD1-CG2 3.58Å; I45-I77 HydrophobicContact CG1-CG2 3.59Å; I45-I77 HydrophobicContact CG2-CG2 3.8Å; L48-I77 HydrophobicContact CD2-CB 4.14Å; L48-I77 HydrophobicContact CD2-CG1 3.82Å; L48-I77 HydrophobicContact CD2-CG2 3.89Å; L75-I77 HydrophobicContact CD2-CD1 3.85Å; L75-I77 HydrophobicContact CD2-CG1 3.82Å; L75-I77 HydrophobicContact CG-CG1 4.07Å; I77-V84 WeakPolarHBondContact O-CA 3.21Å; I77-F85 HydrophobicContact CB-CB 4.23Å; I77-F85 PolarHBondContact N-O 2.84Å; I77-F85 PolarHBondContact O-N 2.96Å; I77-L87 HydrophobicContact CD1-CD1 4.05Å; I77-L102 HydrophobicContact CD1-CD1 3.99Å
78L93.9Very high90.9Very high10 Ų1054.1 Ų54.15%0.05227%0.268CS..EExtended strand (participates in β ladder)trans-94.8127.7178.7-55.887.5000108.5H46 H47 E49 K76 V84H46-L78 WeakPolarHBondContact CA-O 3.27Å; H46-L78 WeakPolarHBondContact CB-O 3.41Å; H46-L78 PolarHBondContact N-O 3.19Å; H47-L78 HydrophobicContact CB-CB 4.38Å; H47-L78 HydrophobicContact CB-CD1 4.28Å; H47-L78 PolarHBondContact N-O 2.94Å; H47-L78 VanDerWaalsContact N-O 3.11Å; H47-L78 PolarHBondContact O-N 3.45Å; E49-L78 HydrophobicContact CG-CD1 3.92Å; K76-L78 HydrophobicContact CD-CD1 3.99Å; K76-L78 HydrophobicContact CD-CG 4.32Å; K76-L78 HydrophobicContact CG-CD1 4.19Å; L78-V84 HydrophobicContact CG-CG2 4.49Å
79C93.9Very high91.3Very high1 Ų145.6 Ų45.61%0.00723%0.231CC..EExtended strand (participates in β ladder)trans-108.3161.8-174.8-61.40000113.2N44 D81 F82 R83N44-C79 CarbonylContact O-C 3.58Å; N44-C79 WeakPolarHBondContact O-CA 3.47Å; C79-D81 VanDerWaalsContact C-N 3.26Å; C79-D81 WeakPolarHBondContact CB-OD1 3.46Å; C79-D81 PolarHBondContact O-N 3.25Å; C79-F82 PolarHBondContact O-N 3.15Å; C79-R83 HydrophobicContact CB-CB 4.39Å; C79-R83 VanDerWaalsContact CB-O 3.3Å; C79-R83 WeakPolarHBondContact CB-O 3.44Å; C79-R83 PolarHBondContact N-O 3.2Å
80K91.2Very high91.2Very high89 Ų8945.2 Ų45.239%0.38722%0.222SC..THydrogen-bonded Turntrans-75.2-15.8179.1-62.5168.2176.9124.30112.2L43 N44 I45 H46 F82L43-K80 PolarHBondContact O-NZ 2.91Å; N44-K80 WeakPolarHBondContact O-CB 3.44Å; N44-K80 WeakPolarHBondContact O-CG 3.49Å; N44-K80 PolarHBondContact O-N 3.07Å; I45-K80 WeakPolarHBondContact O-CE 3.24Å; I45-K80 PolarHBondContact O-NZ 2.52Å; H46-K80 HydrophobicContact CB-CG 3.78Å; K80-F82 VanDerWaalsContact C-N 3.34Å
81D90.1Very high90.9Very high60 Ų6049.9 Ų49.932%0.32125%0.246SC..THydrogen-bonded Turntrans-95.929.1172.166-10.4000112.9N44 C79 R83N44-D81 PolarHBondContact ND2-OD1 2.98Å; N44-D81 PolarHBondContact ND2-OD2 3.2Å; N44-D81 PolarHBondContact OD1-N 2.88Å; C79-D81 VanDerWaalsContact C-N 3.26Å; C79-D81 WeakPolarHBondContact CB-OD1 3.46Å; C79-D81 PolarHBondContact O-N 3.25Å; D81-R83 PolarHBondContact O-N 3.37Å; D81-R83 IonicContact OD1-NE 3.29Å; D81-R83 IonicContact OD2-CZ 3.45Å; D81-R83 IonicContact OD2-NE 2.72Å; D81-R83 PolarHBondContact OD2-NE 3.03Å; D81-R83 IonicContact OD2-NH2 3.26Å; D81-R83 PolarHBondContact OD2-NH2 2.86Å
82F90Very high91Very high70 Ų7047 Ų4731%0.30724%0.238SC..SBendtrans63.5-2.4178.9-53.1-88.3000116C79 K80 F262 L265 R266 C269C79-F82 PolarHBondContact O-N 3.15Å; K80-F82 VanDerWaalsContact C-N 3.34Å; F82-F262 HydrophobicContact CE1-CE2 4.37Å; F82-F262 HydrophobicContact CE2-CE2 4.18Å; F82-F262 HydrophobicContact CZ-CD2 4.22Å; F82-F262 AromaticContact CZ-CE2 3.64Å; F82-F262 HydrophobicContact CZ-CE2 3.64Å; F82-F262 HydrophobicContact CZ-CZ 4.24Å; F82-L265 HydrophobicContact CE1-CB 4.39Å; F82-L265 HydrophobicContact CE1-CD2 4.09Å; F82-L265 HydrophobicContact CE1-CG 3.89Å; F82-L265 HydrophobicContact CZ-CD2 4.14Å; F82-L265 HydrophobicContact CZ-CG 4.44Å; F82-R266 HydrophobicContact CD1-CB 4.34Å; F82-R266 HydrophobicContact CD1-CG 4.39Å; F82-R266 HydrophobicContact CE1-CB 4.2Å; F82-C269 HydrophobicContact CB-CB 4.12Å; F82-C269 HydrophobicContact CD1-CB 3.9Å; F82-C269 HydrophobicContact CG-CB 4.43Å
83R89.2Confident90.8Very high71 Ų7151 Ų5127%0.26827%0.268SS..  trans-75.3140.5177.5-66-171.2-70162.7-1.9111.9P36 E39 C79 D81 F85P36-R83 PolarHBondContact O-NH1 2.78Å; E39-R83 PolarHBondContact O-NH1 3.38Å; E39-R83 PolarHBondContact O-NH2 3.13Å; E39-R83 VanDerWaalsContact O-NH2 3.13Å; C79-R83 HydrophobicContact CB-CB 4.39Å; C79-R83 VanDerWaalsContact CB-O 3.3Å; C79-R83 WeakPolarHBondContact CB-O 3.44Å; C79-R83 PolarHBondContact N-O 3.2Å; D81-R83 PolarHBondContact O-N 3.37Å; D81-R83 IonicContact OD1-NE 3.29Å; D81-R83 IonicContact OD2-CZ 3.45Å; D81-R83 IonicContact OD2-NE 2.72Å; D81-R83 PolarHBondContact OD2-NE 3.03Å; D81-R83 IonicContact OD2-NH2 3.26Å; D81-R83 PolarHBondContact OD2-NH2 2.86Å; R83-F85 HydrophobicContact CB-CE2 4.03Å; R83-F85 HydrophobicContact CB-CZ 4.42Å
84V91.3Very high90.6Very high51 Ų5153.3 Ų53.331%0.30928%0.281SS..EExtended strand (participates in β ladder)trans-118.2127170.3-177.60000108.7K76 I77 L78K76-V84 HydrophobicContact CD-CG1 3.98Å; K76-V84 HydrophobicContact CG-CG1 3.58Å; I77-V84 WeakPolarHBondContact O-CA 3.21Å; L78-V84 HydrophobicContact CG-CG2 4.49Å
85F92.2Very high90.5Very high34 Ų3453.4 Ų53.415%0.14928%0.281CS..EExtended strand (participates in β ladder)trans-111121.6171.8-56.8-94.1000109.5K37 T40 K76 I77 R83K37-F85 WeakPolarHBondContact O-CE1 3.45Å; T40-F85 HydrophobicContact CG2-CD2 4.36Å; T40-F85 HydrophobicContact CG2-CE2 3.83Å; T40-F85 HydrophobicContact CG2-CZ 4.27Å; K76-F85 CarbonylContact C-O 3.6Å; K76-F85 WeakPolarHBondContact CA-O 3.33Å; I77-F85 HydrophobicContact CB-CB 4.23Å; I77-F85 PolarHBondContact N-O 2.84Å; I77-F85 PolarHBondContact O-N 2.96Å; R83-F85 HydrophobicContact CB-CE2 4.03Å; R83-F85 HydrophobicContact CB-CZ 4.42Å
86T92Very high90.3Very high89 Ų8955.9 Ų55.955%0.54629%0.292SS..EExtended strand (participates in β ladder)trans-104.2113.6170.6-520000108.8F59 L75F59-T86 HydrophobicContact CZ-CG2 4.13Å; L75-T86 WeakPolarHBondContact O-CA 3.47Å
87L93Very high90.2Very high21 Ų2159 Ų5911%0.1131%0.312CS..EExtended strand (participates in β ladder)trans-101.3120.1174.9-58.9179.6000108.7V5 S74 L75 I77 L89V5-L87 HydrophobicContact CG1-CD1 4.25Å; V5-L87 HydrophobicContact CG2-CD1 4.14Å; V5-L87 HydrophobicContact CG2-CD2 4.15Å; S74-L87 CarbonylContact C-O 3.41Å; S74-L87 VanDerWaalsContact CA-O 3.31Å; S74-L87 WeakPolarHBondContact CA-O 3.5Å; S74-L87 WeakPolarHBondContact CB-O 3.45Å; L75-L87 HydrophobicContact CD2-CD1 4.45Å; L75-L87 PolarHBondContact N-O 2.89Å; L75-L87 PolarHBondContact O-N 2.89Å; I77-L87 HydrophobicContact CD1-CD1 4.05Å; L87-L89 HydrophobicContact CB-CD2 4.09Å; L87-L89 HydrophobicContact CB-CG 4.22Å
88D92.2Very high90.2Very high87 Ų8760 Ų6047%0.46532%0.317SS..EExtended strand (participates in β ladder)trans-82.6127.2165.5-169-0.2000108.6S74 H90S74-D88 PolarHBondContact OG-OD1 2.99Å; D88-H90 IonicContact OD1-CE1 3.54Å; D88-H90 IonicContact OD1-CG 3.69Å; D88-H90 PolarHBondContact OD1-N 3.18Å; D88-H90 IonicContact OD1-ND1 3.8Å; D88-H90 PolarHBondContact OD1-ND1 3.39Å; D88-H90 IonicContact OD2-CE1 2.67Å; D88-H90 PolarHBondContact OD2-CE1 2.72Å; D88-H90 IonicContact OD2-ND1 2.84Å; D88-H90 PolarHBondContact OD2-ND1 3.26Å
89L90.7Very high90.2Very high10 Ų1059.6 Ų59.65%0.05232%0.315CS..  trans-122.71.7-167.2-64.9178.8000113.1I72 Y73 L75 L87 L91 S92 C95 L98 V99I72-L89 HydrophobicContact CG2-CB 4.25Å; I72-L89 HydrophobicContact CG2-CD1 3.94Å; Y73-L89 PolarHBondContact O-N 3.36Å; L75-L89 HydrophobicContact CB-CD1 3.7Å; L75-L89 HydrophobicContact CD2-CD1 4.45Å; L87-L89 HydrophobicContact CB-CD2 4.09Å; L87-L89 HydrophobicContact CB-CG 4.22Å; L89-L91 PolarHBondContact O-N 3.29Å; L89-S92 PolarHBondContact O-N 2.61Å; L89-C95 HydrophobicContact CB-CB 3.91Å; L89-C95 HydrophobicContact CD1-CB 4.19Å; L89-L98 HydrophobicContact CD2-CD2 4.13Å; L89-V99 HydrophobicContact CD1-CG2 4.3Å
90H83.5Confident90.3Very high91 Ų9161.3 Ų61.342%0.42132%0.324SS..THydrogen-bonded Turntrans-63-10.5-174.775.6-93.6000115.6Y73 D88Y73-H90 HydrophobicContact CD2-CB 3.61Å; Y73-H90 HydrophobicContact CE2-CB 3.48Å; Y73-H90 VanDerWaalsContact CE2-CB 3.48Å; Y73-H90 AromaticContact CE2-CG 3.77Å; Y73-H90 HydrophobicContact CG-CB 4.36Å; Y73-H90 AromaticContact CZ-ND1 3.8Å; Y73-H90 PolarHBondContact O-N 2.87Å; D88-H90 IonicContact OD1-CE1 3.54Å; D88-H90 IonicContact OD1-CG 3.69Å; D88-H90 PolarHBondContact OD1-N 3.18Å; D88-H90 IonicContact OD1-ND1 3.8Å; D88-H90 PolarHBondContact OD1-ND1 3.39Å; D88-H90 IonicContact OD2-CE1 2.67Å; D88-H90 PolarHBondContact OD2-CE1 2.72Å; D88-H90 IonicContact OD2-ND1 2.84Å; D88-H90 PolarHBondContact OD2-ND1 3.26Å
91L81.6Confident90.4Very high155 Ų15558.9 Ų58.981%0.81232%0.318SS*.THydrogen-bonded Turntrans-103.61.4175.2-58.3178.8000113.8L89L89-L91 PolarHBondContact O-N 3.29Å
92S86.4Confident90.6Very high50 Ų5056 Ų5635%0.3530%0.303SS..  trans-108.9121-174.1-175.10000112.2L89 E94 C95L89-S92 PolarHBondContact O-N 2.61Å; S92-E94 VanDerWaalsContact C-N 3.29Å; S92-E94 PolarHBondContact OG-N 3.26Å; S92-C95 WeakPolarHBondContact O-CB 3.37Å; S92-C95 PolarHBondContact O-N 3.03Å; S92-C95 PolarHBondContact O-SG 2.98Å; S92-C95 VanDerWaalsContact O-SG 3.33Å
93S85.7Confident90.8Very high103 Ų10353.3 Ų53.372%0.7229%0.291SS*.THydrogen-bonded Turntrans-64-35.7169.957.60000112.1C95S93-C95 PolarHBondContact O-N 2.7Å
94E87.9Confident90.9Very high107 Ų10754.2 Ų54.250%0.530%0.299SS..THydrogen-bonded Turntrans-84.512.5-177-61.5-50129.100113.8S92 K96 T97 L98S92-E94 VanDerWaalsContact C-N 3.29Å; S92-E94 PolarHBondContact OG-N 3.26Å; E94-K96 VanDerWaalsContact C-N 3.26Å; E94-K96 PolarHBondContact O-N 3.26Å; E94-T97 PolarHBondContact O-N 2.72Å; E94-T97 VanDerWaalsContact OE2-CB 3.31Å; E94-T97 WeakPolarHBondContact OE2-CB 3.4Å; E94-T97 PolarHBondContact OE2-OG1 2.85Å; E94-L98 WeakPolarHBondContact O-CB 3.34Å; E94-L98 PolarHBondContact O-N 3.41Å
95C90.8Very high90.9Very high14 Ų1454.7 Ų54.710%0.09530%0.295CS..Hα-helixtrans-56.7-40-17962.70000112.3L89 S92 S93 V99L89-C95 HydrophobicContact CB-CB 3.91Å; L89-C95 HydrophobicContact CD1-CB 4.19Å; S92-C95 WeakPolarHBondContact O-CB 3.37Å; S92-C95 PolarHBondContact O-N 3.03Å; S92-C95 PolarHBondContact O-SG 2.98Å; S92-C95 VanDerWaalsContact O-SG 3.33Å; S93-C95 PolarHBondContact O-N 2.7Å; C95-V99 WeakPolarHBondContact O-CB 3.3Å; C95-V99 VanDerWaalsContact O-CG2 3.23Å; C95-V99 WeakPolarHBondContact O-CG2 3.45Å; C95-V99 PolarHBondContact O-N 2.87Å; C95-V99 VanDerWaalsContact O-N 3.1Å
96K91.1Very high91Very high51 Ų5153.3 Ų53.322%0.22229%0.29CS..Hα-helixtrans-69.3-45.1177.3-57-170.1178.7-151.80112.1L66 S67 F68 D70 E94 V99 N100L66-K96 HydrophobicContact CD1-CG 4.5Å; S67-K96 PolarHBondContact O-NZ 2.89Å; F68-K96 PolarHBondContact O-NZ 3.08Å; D70-K96 WeakPolarHBondContact O-CE 3.48Å; D70-K96 PolarHBondContact O-NZ 3.17Å; E94-K96 VanDerWaalsContact C-N 3.26Å; E94-K96 PolarHBondContact O-N 3.26Å; K96-V99 PolarHBondContact O-N 2.84Å; K96-N100 WeakPolarHBondContact O-CB 3.32Å; K96-N100 PolarHBondContact O-N 2.97Å
97T93Very high91.1Very high74 Ų7453.1 Ų53.145%0.45428%0.282SS..Hα-helixtrans-57.1-50.9177-43.20000110.6E94 V99 N100 C101E94-T97 PolarHBondContact O-N 2.72Å; E94-T97 VanDerWaalsContact OE2-CB 3.31Å; E94-T97 WeakPolarHBondContact OE2-CB 3.4Å; E94-T97 PolarHBondContact OE2-OG1 2.85Å; T97-V99 PolarHBondContact O-N 3.18Å; T97-N100 PolarHBondContact O-N 3.47Å; T97-C101 PolarHBondContact O-N 3.14Å; T97-C101 PolarHBondContact O-SG 2.85Å; T97-C101 VanDerWaalsContact O-SG 3.34Å
98L94.2Very high90.9Very high23 Ų2352.5 Ų52.512%0.1228%0.279CS..Hα-helixtrans-54.9-51.1175.6170.361.5000111.8V5 C7 L12 L89 E94 C101 L102V5-L98 HydrophobicContact CB-CD2 4.34Å; V5-L98 HydrophobicContact CG1-CD1 3.99Å; V5-L98 HydrophobicContact CG1-CD2 3.86Å; C7-L98 HydrophobicContact CB-CD1 3.63Å; L12-L98 HydrophobicContact CD1-CD1 4.13Å; L89-L98 HydrophobicContact CD2-CD2 4.13Å; E94-L98 WeakPolarHBondContact O-CB 3.34Å; E94-L98 PolarHBondContact O-N 3.41Å; L98-C101 PolarHBondContact O-N 3.13Å; L98-L102 HydrophobicContact CD1-CD1 4.18Å; L98-L102 HydrophobicContact CD1-CG 4.28Å; L98-L102 HydrophobicContact CG-CD1 4.26Å; L98-L102 WeakPolarHBondContact O-CG 3.47Å; L98-L102 PolarHBondContact O-N 2.85Å
99V95Very high90.7Very high0 Ų052.4 Ų52.40%029%0.29CS..Hα-helixtrans-69.1-38-175.3171.20000112.3L62 L66 I72 L75 L89 C95 K96 T97 L102 L103L62-V99 HydrophobicContact CD2-CG1 3.29Å; L66-V99 HydrophobicContact CD1-CB 3.84Å; L66-V99 HydrophobicContact CD1-CG1 3.59Å; L66-V99 HydrophobicContact CG-CG1 4.18Å; I72-V99 HydrophobicContact CD1-CG1 4.17Å; I72-V99 HydrophobicContact CD1-CG2 4.07Å; L75-V99 HydrophobicContact CD1-CG1 4.36Å; L75-V99 HydrophobicContact CD1-CG2 3.88Å; L75-V99 HydrophobicContact CD2-CG2 3.81Å; L75-V99 HydrophobicContact CG-CG2 4.33Å; L89-V99 HydrophobicContact CD1-CG2 4.3Å; C95-V99 WeakPolarHBondContact O-CB 3.3Å; C95-V99 VanDerWaalsContact O-CG2 3.23Å; C95-V99 WeakPolarHBondContact O-CG2 3.45Å; C95-V99 PolarHBondContact O-N 2.87Å; C95-V99 VanDerWaalsContact O-N 3.1Å; K96-V99 PolarHBondContact O-N 2.84Å; T97-V99 PolarHBondContact O-N 3.18Å; V99-L102 WeakPolarHBondContact O-CB 3.43Å; V99-L102 PolarHBondContact O-N 2.97Å; V99-L103 HydrophobicContact CG1-CD1 4.49Å; V99-L103 PolarHBondContact O-N 2.92Å
100N94.3Very high90.7Very high37 Ų3754 Ų5420%0.19830%0.302CS..Hα-helixtrans-66-39.5174.3-74.9-11.2000111.6F65 L66 K96 T97 L103 Q104F65-N100 HydrophobicContact CD1-CB 3.81Å; F65-N100 HydrophobicContact CE1-CB 4.29Å; F65-N100 WeakPolarHBondContact CE1-O 3.42Å; L66-N100 PolarHBondContact N-OD1 2.7Å; L66-N100 PolarHBondContact O-ND2 3.37Å; L66-N100 VanDerWaalsContact O-ND2 3.09Å; K96-N100 WeakPolarHBondContact O-CB 3.32Å; K96-N100 PolarHBondContact O-N 2.97Å; T97-N100 PolarHBondContact O-N 3.47Å; N100-L103 PolarHBondContact O-N 2.95Å; N100-Q104 WeakPolarHBondContact O-CB 3.48Å; N100-Q104 PolarHBondContact O-N 2.95Å
101C93.6Very high90.7Very high39 Ų3952.5 Ų52.526%0.26431%0.305SS..Hα-helixtrans-63.8-39.3170.5-690000112.5T97 L98 Q104 Y105T97-C101 PolarHBondContact O-N 3.14Å; T97-C101 PolarHBondContact O-SG 2.85Å; T97-C101 VanDerWaalsContact O-SG 3.34Å; L98-C101 PolarHBondContact O-N 3.13Å; C101-Q104 PolarHBondContact O-N 3.16Å; C101-Y105 HydrophobicContact CB-CD2 4.21Å; C101-Y105 HydrophobicContact CB-CE2 4.29Å; C101-Y105 WeakPolarHBondContact O-CD2 3.47Å; C101-Y105 PolarHBondContact O-N 2.85Å
102L95.7Very high91Very high0 Ų052.6 Ų52.60%030%0.302CS..Hα-helixtrans-61.8-44175.6-73.5173.8000111.5L12 L42 I45 L48 L75 I77 L98 V99 S106L12-L102 HydrophobicContact CB-CD2 4.39Å; L12-L102 HydrophobicContact CD1-CD2 4.24Å; L12-L102 HydrophobicContact CD2-CD2 4.2Å; L42-L102 HydrophobicContact CD2-CD2 3.48Å; L42-L102 VanDerWaalsContact CD2-CD2 3.48Å; I45-L102 HydrophobicContact CD1-CD2 3.98Å; L48-L102 HydrophobicContact CD1-CB 4.02Å; L75-L102 HydrophobicContact CD2-CD1 3.66Å; I77-L102 HydrophobicContact CD1-CD1 3.99Å; L98-L102 HydrophobicContact CD1-CD1 4.18Å; L98-L102 HydrophobicContact CD1-CG 4.28Å; L98-L102 HydrophobicContact CG-CD1 4.26Å; L98-L102 WeakPolarHBondContact O-CG 3.47Å; L98-L102 PolarHBondContact O-N 2.85Å; V99-L102 WeakPolarHBondContact O-CB 3.43Å; V99-L102 PolarHBondContact O-N 2.97Å; L102-S106 WeakPolarHBondContact O-CB 3.47Å; L102-S106 PolarHBondContact O-N 3.34Å; L102-S106 PolarHBondContact O-OG 3.43Å
103L93.6Very high91Very high12 Ų1254 Ų546%0.06331%0.305CS..Hα-helixtrans-59.6-48.9174.3-75.4165.4000111.8L48 L62 S64 F65 V99 N100 F107L48-L103 HydrophobicContact CD1-CD2 4Å; L48-L103 HydrophobicContact CD1-CG 4.12Å; L62-L103 HydrophobicContact CD2-CD1 3.98Å; L62-L103 HydrophobicContact CD2-CD2 4.24Å; L62-L103 HydrophobicContact CD2-CG 4.17Å; L62-L103 HydrophobicContact CG-CD1 4.17Å; L62-L103 HydrophobicContact CG-CD2 4.21Å; S64-L103 VanDerWaalsContact O-CD1 3.26Å; S64-L103 WeakPolarHBondContact O-CD1 3.39Å; F65-L103 HydrophobicContact CE1-CB 4.22Å; F65-L103 HydrophobicContact CZ-CB 4.38Å; V99-L103 HydrophobicContact CG1-CD1 4.49Å; V99-L103 PolarHBondContact O-N 2.92Å; N100-L103 PolarHBondContact O-N 2.95Å; L103-F107 HydrophobicContact CD2-CD2 4.32Å; L103-F107 HydrophobicContact CD2-CE2 4.31Å; L103-F107 PolarHBondContact O-N 3.07Å
104Q91.5Very high91Very high91 Ų9151.8 Ų51.843%0.42528%0.283SS..Hα-helixtrans-60.6-48.1-177.8-176.1-179.22.200113.4F65 N100 C101F65-Q104 HydrophobicContact CE1-CB 4.19Å; F65-Q104 HydrophobicContact CZ-CB 4.16Å; N100-Q104 WeakPolarHBondContact O-CB 3.48Å; N100-Q104 PolarHBondContact O-N 2.95Å; C101-Q104 PolarHBondContact O-N 3.16Å
105Y92.1Very high90.9Very high61 Ų6147.2 Ų47.224%0.23926%0.262CS..Hα-helixtrans-97.7-14.7-169.3-61.7-64.2000114.4I9 L42 C101I9-Y105 HydrophobicContact CB-CD1 4.14Å; I9-Y105 HydrophobicContact CB-CE1 4.11Å; I9-Y105 HydrophobicContact CG2-CD1 4.34Å; I9-Y105 HydrophobicContact CG2-CE1 3.84Å; I9-Y105 HydrophobicContact CG2-CE2 4.27Å; L42-Y105 VanDerWaalsContact CD1-CB 3.44Å; L42-Y105 HydrophobicContact CD1-CG 4.44Å; C101-Y105 HydrophobicContact CB-CD2 4.21Å; C101-Y105 HydrophobicContact CB-CE2 4.29Å; C101-Y105 WeakPolarHBondContact O-CD2 3.47Å; C101-Y105 PolarHBondContact O-N 2.85Å
106S94.1Very high90.4Very high5 Ų551.1 Ų51.14%0.03529%0.289CS..Hα-helixtrans-83.5-29.3172.5-48.10000112.5L42 L102 P108L42-S106 WeakPolarHBondContact O-CB 3.25Å; L102-S106 WeakPolarHBondContact O-CB 3.47Å; L102-S106 PolarHBondContact O-N 3.34Å; L102-S106 PolarHBondContact O-OG 3.43Å; S106-P108 WeakPolarHBondContact O-CD 3.3Å
107F93.1Very high90.1Very high85 Ų8554.8 Ų54.837%0.37331%0.305SS..SBendtrans-124.356-175.2-47.1-65.3000111.8I45 L48 L103 A109I45-F107 HydrophobicContact CG2-CZ 4.02Å; L48-F107 HydrophobicContact CD1-CE2 3.94Å; L48-F107 HydrophobicContact CG-CE2 4.09Å; L48-F107 HydrophobicContact CG-CZ 4.33Å; L103-F107 HydrophobicContact CD2-CD2 4.32Å; L103-F107 HydrophobicContact CD2-CE2 4.31Å; L103-F107 PolarHBondContact O-N 3.07Å; F107-A109 PolarHBondContact O-N 3.12Å
108P90Very high89.5Confident8 Ų855.1 Ų55.15%0.05230%0.303CS..  trans-61.2124.9-176.226.1-35000111.5L43 S106 S110 N113 F114 I361L43-P108 HydrophobicContact CD2-CG 4.08Å; S106-P108 WeakPolarHBondContact O-CD 3.3Å; P108-S110 VanDerWaalsContact C-N 3.3Å; P108-S110 PolarHBondContact O-N 3.22Å; P108-N113 HydrophobicContact CB-CB 3.68Å; P108-F114 HydrophobicContact CG-CD1 3.56Å; P108-F114 HydrophobicContact CG-CE1 3.44Å; P108-F114 VanDerWaalsContact CG-CE1 3.44Å; P108-F114 HydrophobicContact CG-CG 4.38Å; P108-F114 HydrophobicContact CG-CZ 4.17Å; P108-I361 VanDerWaalsContact O-CD1 3.26Å; P108-I361 WeakPolarHBondContact O-CD1 3.44Å
109A87.5Confident88.7Confident84 Ų8457.7 Ų57.769%0.69432%0.317SS*.SBendtrans-74.1-15.8-173.900000114.6F107F107-A109 PolarHBondContact O-N 3.12Å
110S89.4Confident87.3Confident44 Ų4465.7 Ų65.731%0.30835%0.354SS..SBendtrans-136.5158.6177.873.30000111.3P108 E112 N113P108-S110 VanDerWaalsContact C-N 3.3Å; P108-S110 PolarHBondContact O-N 3.22Å; S110-E112 VanDerWaalsContact C-N 3.31Å; S110-E112 PolarHBondContact O-N 3.41Å; S110-N113 PolarHBondContact O-N 3.16Å; S110-N113 PolarHBondContact OG-ND2 3.42Å
111A85.5Confident85.7Confident59 Ų5968.6 Ų68.649%0.48838%0.375SS..G310 helixtrans-62.5-36.8-177.500000113.1N113 F114 F117A111-N113 PolarHBondContact O-N 3.33Å; A111-F114 HydrophobicContact CB-CD2 4.38Å; A111-F114 WeakPolarHBondContact O-CB 3.46Å; A111-F114 VanDerWaalsContact O-CD2 3.25Å; A111-F114 WeakPolarHBondContact O-CD2 3.47Å; A111-F114 PolarHBondContact O-N 3.09Å; A111-F117 WeakPolarHBondContact O-CD2 3.46Å; A111-F117 WeakPolarHBondContact O-CE2 3.23Å
112E86.2Confident83.9Confident158 Ų15872.2 Ų72.274%0.73840%0.396SS*.G310 helixtrans-61.4-26.5180-65.8164.2-173.800113S110 F114S110-E112 VanDerWaalsContact C-N 3.31Å; S110-E112 PolarHBondContact O-N 3.41Å; E112-F114 VanDerWaalsContact C-N 3.29Å; E112-F114 PolarHBondContact O-N 3.13Å
113N86.2Confident81.7Confident78 Ų7880.2 Ų80.242%0.41744%0.438SS..G310 helixtrans-80.4-3.2176.5-74.9-62000113.7P108 S110 A111P108-N113 HydrophobicContact CB-CB 3.68Å; S110-N113 PolarHBondContact O-N 3.16Å; S110-N113 PolarHBondContact OG-ND2 3.42Å; A111-N113 PolarHBondContact O-N 3.33Å
114F87.1Confident79.7Confident57 Ų5783.4 Ų83.425%0.2546%0.461CS..SBendtrans-68.9137.3171.7-74-61.5000110.7L43 P108 A111 E112 C116 F117L43-F114 HydrophobicContact CD1-CD1 3.8Å; L43-F114 HydrophobicContact CD1-CE1 4.29Å; L43-F114 HydrophobicContact CD2-CD1 3.79Å; L43-F114 HydrophobicContact CD2-CE1 3.94Å; L43-F114 HydrophobicContact CG-CD1 4.46Å; P108-F114 HydrophobicContact CG-CD1 3.56Å; P108-F114 HydrophobicContact CG-CE1 3.44Å; P108-F114 VanDerWaalsContact CG-CE1 3.44Å; P108-F114 HydrophobicContact CG-CG 4.38Å; P108-F114 HydrophobicContact CG-CZ 4.17Å; A111-F114 HydrophobicContact CB-CD2 4.38Å; A111-F114 WeakPolarHBondContact O-CB 3.46Å; A111-F114 VanDerWaalsContact O-CD2 3.25Å; A111-F114 WeakPolarHBondContact O-CD2 3.47Å; A111-F114 PolarHBondContact O-N 3.09Å; E112-F114 VanDerWaalsContact C-N 3.29Å; E112-F114 PolarHBondContact O-N 3.13Å; F114-C116 PolarHBondContact O-N 3.33Å; F114-F117 HydrophobicContact CB-CD2 4.08Å; F114-F117 HydrophobicContact CB-CE2 4.35Å; F114-F117 PolarHBondContact O-N 2.99Å
115P85Confident77.7Confident12 Ų1285.4 Ų85.48%0.07847%0.466CS..Hα-helixtrans-53.3-23179.9-32.237.4000116.1I9 F10 F117 I118 L119I9-P115 WeakPolarHBondContact O-CG 3.45Å; F10-P115 HydrophobicContact CB-CB 3.72Å; F10-P115 HydrophobicContact CB-CG 3.83Å; P115-F117 VanDerWaalsContact C-N 3.29Å; P115-F117 PolarHBondContact O-N 3.19Å; P115-I118 PolarHBondContact O-N 3.35Å; P115-L119 HydrophobicContact CB-CD1 4Å; P115-L119 HydrophobicContact CB-CG 4.49Å; P115-L119 WeakPolarHBondContact O-CB 3.02Å; P115-L119 VanDerWaalsContact O-CG 3.3Å; P115-L119 WeakPolarHBondContact O-CG 3.07Å; P115-L119 PolarHBondContact O-N 3.16Å
116C81.6Confident75.5Confident96 Ų9685.3 Ų85.365%0.64948%0.483SS*.Hα-helixtrans-69.4-19.317753.20000114.7F114F114-C116 PolarHBondContact O-N 3.33Å
117F82.8Confident73.3Confident128 Ų12893.3 Ų93.356%0.56152%0.517SS*.Hα-helixtrans-91.6-33.3172.8-62.1-79.9000112A111 F114 P115A111-F117 WeakPolarHBondContact O-CD2 3.46Å; A111-F117 WeakPolarHBondContact O-CE2 3.23Å; F114-F117 HydrophobicContact CB-CD2 4.08Å; F114-F117 HydrophobicContact CB-CE2 4.35Å; F114-F117 PolarHBondContact O-N 2.99Å; P115-F117 VanDerWaalsContact C-N 3.29Å; P115-F117 PolarHBondContact O-N 3.19Å
118I80.9Confident71.2Confident80 Ų8095.9 Ų95.941%0.4153%0.534SS..Hα-helixtrans-76.7-45.3179.6-50.5169.6000111I9 P115 Q120I9-I118 HydrophobicContact CD1-CB 4.11Å; I9-I118 HydrophobicContact CD1-CD1 4.34Å; I9-I118 HydrophobicContact CD1-CG2 3.58Å; P115-I118 PolarHBondContact O-N 3.35Å; I118-Q120 VanDerWaalsContact C-N 3.3Å; I118-Q120 PolarHBondContact O-N 3.13Å
119L77.4Confident69.1Low78 Ų7899.7 Ų99.741%0.40855%0.554SS.*SBendtrans-83.469.8-179.4-59.7172.5000110.9I9 F10 P115 P121I9-L119 HydrophobicContact CD1-CD2 4.01Å; I9-L119 HydrophobicContact CD1-CG 4.33Å; F10-L119 HydrophobicContact CB-CD1 3.96Å; F10-L119 HydrophobicContact CD1-CD1 3.76Å; F10-L119 HydrophobicContact CD1-CD2 4.45Å; F10-L119 HydrophobicContact CD2-CD1 4.49Å; F10-L119 HydrophobicContact CE1-CD1 4.34Å; F10-L119 HydrophobicContact CG-CD1 3.84Å; P115-L119 HydrophobicContact CB-CD1 4Å; P115-L119 HydrophobicContact CB-CG 4.49Å; P115-L119 WeakPolarHBondContact O-CB 3.02Å; P115-L119 VanDerWaalsContact O-CG 3.3Å; P115-L119 WeakPolarHBondContact O-CG 3.07Å; P115-L119 PolarHBondContact O-N 3.16Å; L119-P121 VanDerWaalsContact O-CD 3.23Å; L119-P121 WeakPolarHBondContact O-CD 3.34Å; L119-P121 VanDerWaalsContact O-N 3.16Å
120Q66.7Low67.2Low168 Ų168101.3 Ų101.379%0.78555%0.55SS**PPolyproline II helixtrans-56118.9171.5-66-169.87.900110.1I118 T122I118-Q120 VanDerWaalsContact C-N 3.3Å; I118-Q120 PolarHBondContact O-N 3.13Å; Q120-T122 PolarHBondContact O-N 3.41Å
121P59.7Low65.3Low97 Ų97103 Ų10363%0.6357%0.574SS**PPolyproline II helixtrans-66.1129174.7-18.332000109.2L119 L123L119-P121 VanDerWaalsContact O-CD 3.23Å; L119-P121 WeakPolarHBondContact O-CD 3.34Å; L119-P121 VanDerWaalsContact O-N 3.16Å; P121-L123 PolarHBondContact O-N 3.34Å
122T55.7Low63.6Low116 Ų116107 Ų10771%0.71259%0.587SS**PPolyproline II helixtrans-56.4134.5169.842.20000109.5Q120 S124Q120-T122 PolarHBondContact O-N 3.41Å; T122-S124 PolarHBondContact O-N 2.88Å
123L50.5Low62.3Low167 Ų167107.1 Ų107.187%0.87459%0.585SS**THydrogen-bonded Turntrans-57.5-11-158.5-72.8158.2000116.1P121 Y125 G126P121-L123 PolarHBondContact O-N 3.34Å; L123-Y125 PolarHBondContact O-N 3.42Å; L123-Y125 VanDerWaalsContact O-N 3.16Å; L123-G126 PolarHBondContact O-N 2.98Å
124S51.2Low61.3Low79 Ų79111.8 Ų111.855%0.55260%0.601SS**THydrogen-bonded Turntrans-50.8-33.3177.7-52.30000114.8T122 G126 K127T122-S124 PolarHBondContact O-N 2.88Å; S124-G126 PolarHBondContact O-N 3.15Å; S124-K127 PolarHBondContact O-N 3.41Å; S124-K127 VanDerWaalsContact O-N 3.15Å
125Y49.3Very low60.5Low134 Ų134112 Ų11253%0.52561%0.609SS.*Hα-helixtrans-61.5-25.6177.3-92.8-80.3000113.5L123 K127L123-Y125 PolarHBondContact O-N 3.42Å; L123-Y125 VanDerWaalsContact O-N 3.16Å; Y125-K127 VanDerWaalsContact C-N 3.27Å; Y125-K127 PolarHBondContact O-N 3.07Å
126G45.9Very low60.1Low58 Ų58117.6 Ų117.660%0.59864%0.637SS**Hα-helixtrans-68.2-22.2177.100000114.4L123 S124L123-G126 PolarHBondContact O-N 2.98Å; S124-G126 PolarHBondContact O-N 3.15Å
127K47.5Very low60.2Low174 Ų174115.3 Ų115.376%0.75762%0.616SS**Hα-helixtrans-89.9-29179.8-72.8-172.5174.8-177.50113.8S124 Y125S124-K127 PolarHBondContact O-N 3.41Å; S124-K127 VanDerWaalsContact O-N 3.15Å; Y125-K127 VanDerWaalsContact C-N 3.27Å; Y125-K127 PolarHBondContact O-N 3.07Å
128L48.7Very low60.3Low138 Ų138113 Ų11372%0.72361%0.61SS**Hα-helixtrans-79.8-27.7-173.6-68.8170.1000114
129N45.7Very low60.7Low89 Ų89117.6 Ų117.648%0.47662%0.622SS.*THydrogen-bonded Turntrans-103.829.6-174.8-75.6-29.5000114.4G131 L132N129-G131 VanDerWaalsContact C-N 3.26Å; N129-G131 PolarHBondContact O-N 3.38Å; N129-L132 PolarHBondContact O-N 2.8Å
130L47.9Very low61.4Low118 Ų118120.2 Ų120.262%0.61863%0.627SS**THydrogen-bonded Turntrans-61.7-32177.5-82.2166.9000113.4
131G49.5Very low62.6Low79 Ų79116.6 Ų116.681%0.81461%0.61SS**THydrogen-bonded Turntrans-85.2-10.8177.100000115.8N129N129-G131 VanDerWaalsContact C-N 3.26Å; N129-G131 PolarHBondContact O-N 3.38Å
132L50.5Low63.9Low142 Ų142113.4 Ų113.474%0.74359%0.587SS**  trans-131.847.9-175.4-71176.2000111.9N129 K134N129-L132 PolarHBondContact O-N 2.8Å; L132-K134 VanDerWaalsContact C-N 3.32Å; L132-K134 PolarHBondContact O-N 2.77Å
133K58.6Low65.5Low162 Ų162109 Ų10970%0.70456%0.557SS**  trans-68.491.5166.2-73.6-176.2178.51740109.5
134K65.9Low67.4Low175 Ų175105.2 Ų105.276%0.76153%0.532SS*.  trans-47.6121.7168.3179.8179.3178.9179.30108.6L132 L136L132-K134 VanDerWaalsContact C-N 3.32Å; L132-K134 PolarHBondContact O-N 2.77Å; K134-L136 PolarHBondContact O-N 2.62Å
135P69.9Low69.2Low62 Ų62104.6 Ų104.640%0.40353%0.527SS..  trans-59.5134.5-179.822.4-32.1000109.7F137 D142P135-F137 HydrophobicContact CB-CD2 4.2Å; P135-F137 HydrophobicContact CB-CE1 4.47Å; P135-F137 HydrophobicContact CB-CE2 3.82Å; P135-F137 HydrophobicContact CB-CZ 3.97Å; P135-F137 HydrophobicContact CG-CD2 4.49Å; P135-F137 HydrophobicContact CG-CE2 3.67Å; P135-F137 HydrophobicContact CG-CZ 3.78Å; P135-D142 WeakPolarHBondContact CA-OD2 3.19Å; P135-D142 HydrophobicContact CB-CB 3.98Å
136L76.3Confident70.8Confident129 Ų12999.3 Ų99.368%0.67551%0.507SS*.  trans-89.3-19.3178.7-62.4178.2000111K134 D138 D142K134-L136 PolarHBondContact O-N 2.62Å; L136-D138 WeakPolarHBondContact CB-OD2 3.41Å; L136-D138 PolarHBondContact O-N 3.42Å; L136-D142 PolarHBondContact N-OD2 3.1Å
137F84.3Confident72.8Confident49 Ų4996.7 Ų96.722%0.21548%0.479CS..SBendtrans66.512.8-175.1-63.1-81.5000114.5P135 R139 D142 W143 E146P135-F137 HydrophobicContact CB-CD2 4.2Å; P135-F137 HydrophobicContact CB-CE1 4.47Å; P135-F137 HydrophobicContact CB-CE2 3.82Å; P135-F137 HydrophobicContact CB-CZ 3.97Å; P135-F137 HydrophobicContact CG-CD2 4.49Å; P135-F137 HydrophobicContact CG-CE2 3.67Å; P135-F137 HydrophobicContact CG-CZ 3.78Å; F137-R139 PolarHBondContact O-N 2.86Å; F137-D142 HydrophobicContact CD1-CB 3.91Å; F137-D142 HydrophobicContact CE1-CB 4.29Å; F137-D142 HydrophobicContact CG-CB 4.36Å; F137-D142 PolarHBondContact N-OD2 3Å; F137-W143 HydrophobicContact CB-CZ2 3.83Å; F137-W143 AromaticContact CD1-CD2 3.75Å; F137-W143 HydrophobicContact CD1-CD2 3.75Å; F137-W143 AromaticContact CD1-CE2 3.77Å; F137-W143 HydrophobicContact CD1-CE3 4.09Å; F137-W143 HydrophobicContact CD1-CG 4.13Å; F137-W143 HydrophobicContact CD1-CH2 4.48Å; F137-W143 HydrophobicContact CD1-CZ2 4.16Å; F137-W143 HydrophobicContact CD1-CZ3 4.44Å; F137-W143 HydrophobicContact CG-CZ2 4.29Å; F137-W143 PolarHBondContact O-NE1 2.88Å; F137-E146 HydrophobicContact CE1-CB 3.87Å; F137-E146 HydrophobicContact CE1-CG 4.34Å; F137-E146 HydrophobicContact CZ-CB 4.32Å
138D85.3Confident74.7Confident80 Ų8093.6 Ų93.643%0.42847%0.469SS..  trans-79.3-0.7169.4-61.5-47.3000113.6L136 P174 F175L136-D138 WeakPolarHBondContact CB-OD2 3.41Å; L136-D138 PolarHBondContact O-N 3.42Å; D138-P174 HydrophobicContact CB-CG 4.39Å; D138-P174 WeakPolarHBondContact OD1-CD 3.48Å; D138-F175 WeakPolarHBondContact O-CD2 3.38Å; D138-F175 WeakPolarHBondContact O-CE2 3.49Å
139R88.9Confident76.4Confident176 Ų17693.9 Ų93.966%0.66446%0.46SS*.SBendtrans-126.8141-175.6-61.3177176.2-156.4-5.8110.4F137 E141 D142F137-R139 PolarHBondContact O-N 2.86Å; R139-E141 PolarHBondContact O-N 3.3Å; R139-D142 PolarHBondContact O-N 3.13Å
140R92.1Very high78.1Confident133 Ų13390 Ų9050%0.50244%0.44SS..Hα-helixtrans-52.7-36.4172.4176.9172.3-77178.9-3112.4W143 R144 I159 F175R140-W143 PolarHBondContact O-N 3.13Å; R140-R144 PolarHBondContact O-N 3.43Å; R140-I159 HydrophobicContact CB-CG2 4.38Å; R140-I159 HydrophobicContact CG-CB 4.24Å; R140-I159 HydrophobicContact CG-CD1 3.93Å; R140-I159 HydrophobicContact CG-CG2 3.97Å; R140-I159 PolarHBondContact NH2-O 3.36Å; R140-I159 WeakPolarHBondContact O-CD1 3.46Å; R140-F175 HydrophobicContact CB-CD1 4.05Å; R140-F175 HydrophobicContact CB-CE1 4.17Å; R140-F175 HydrophobicContact CB-CG 4.26Å; R140-F175 HydrophobicContact CB-CZ 4.49Å
141E90.9Very high79.4Confident92 Ų9286.6 Ų86.643%0.4343%0.433SS..Hα-helixtrans-68-37.9-178.4-170.662-175.300113.4R139 W143 R144 C145R139-E141 PolarHBondContact O-N 3.3Å; E141-W143 VanDerWaalsContact C-N 3.27Å; E141-W143 PolarHBondContact O-N 3.41Å; E141-R144 VanDerWaalsContact CD-NE 3.34Å; E141-R144 PolarHBondContact O-N 2.81Å; E141-R144 VanDerWaalsContact O-N 3.13Å; E141-R144 IonicContact OE1-CZ 3.35Å; E141-R144 IonicContact OE1-NE 2.8Å; E141-R144 PolarHBondContact OE1-NE 2.94Å; E141-R144 IonicContact OE1-NH2 2.68Å; E141-R144 PolarHBondContact OE1-NH2 2.83Å; E141-R144 WeakPolarHBondContact OE2-CD 3.27Å; E141-R144 IonicContact OE2-CZ 3.74Å; E141-R144 IonicContact OE2-NE 3.2Å; E141-R144 PolarHBondContact OE2-NE 2.91Å; E141-R144 IonicContact OE2-NH2 3.81Å; E141-C145 WeakPolarHBondContact O-CB 3.27Å; E141-C145 PolarHBondContact O-N 3.02Å; E141-C145 PolarHBondContact O-SG 2.69Å; E141-C145 VanDerWaalsContact O-SG 3.41Å
142D87.9Confident80.5Confident30 Ų3083.1 Ų83.116%0.1640%0.397CS..Hα-helixtrans-57.3-42.3175.8-64.421.6000110.9P135 L136 F137 R139 E146P135-D142 WeakPolarHBondContact CA-OD2 3.19Å; P135-D142 HydrophobicContact CB-CB 3.98Å; L136-D142 PolarHBondContact N-OD2 3.1Å; F137-D142 HydrophobicContact CD1-CB 3.91Å; F137-D142 HydrophobicContact CE1-CB 4.29Å; F137-D142 HydrophobicContact CG-CB 4.36Å; F137-D142 PolarHBondContact N-OD2 3Å; R139-D142 PolarHBondContact O-N 3.13Å; D142-E146 PolarHBondContact O-N 3.46Å; D142-E146 VanDerWaalsContact O-N 3.09Å
143W89.3Confident81.2Confident22 Ų2281.1 Ų81.18%0.08339%0.386CS..Hα-helixtrans-71.1-37.5175.4-68.299.6000113.3F137 R140 E141 C145 E146 L147 I159 P173 F175 F176 V177 F201 W202F137-W143 HydrophobicContact CB-CZ2 3.83Å; F137-W143 AromaticContact CD1-CD2 3.75Å; F137-W143 HydrophobicContact CD1-CD2 3.75Å; F137-W143 AromaticContact CD1-CE2 3.77Å; F137-W143 HydrophobicContact CD1-CE3 4.09Å; F137-W143 HydrophobicContact CD1-CG 4.13Å; F137-W143 HydrophobicContact CD1-CH2 4.48Å; F137-W143 HydrophobicContact CD1-CZ2 4.16Å; F137-W143 HydrophobicContact CD1-CZ3 4.44Å; F137-W143 HydrophobicContact CG-CZ2 4.29Å; F137-W143 PolarHBondContact O-NE1 2.88Å; R140-W143 PolarHBondContact O-N 3.13Å; E141-W143 VanDerWaalsContact C-N 3.27Å; E141-W143 PolarHBondContact O-N 3.41Å; W143-C145 VanDerWaalsContact C-N 3.3Å; W143-C145 PolarHBondContact O-N 2.98Å; W143-E146 PolarHBondContact O-N 3.33Å; W143-L147 WeakPolarHBondContact O-CB 3.5Å; W143-L147 WeakPolarHBondContact O-CG 3.3Å; W143-L147 PolarHBondContact O-N 3.39Å; W143-I159 HydrophobicContact CB-CD1 4.03Å; W143-I159 HydrophobicContact CB-CG1 4.08Å; W143-I159 HydrophobicContact CB-CG2 4.07Å; W143-I159 HydrophobicContact CG-CG2 4.39Å; W143-P173 HydrophobicContact CZ2-CG 4.4Å; W143-F175 PolarHBondContact NE1-O 2.9Å; W143-F176 HydrophobicContact CH2-CB 4.46Å; W143-F176 HydrophobicContact CZ2-CB 4.15Å; W143-V177 HydrophobicContact CB-CG2 4.03Å; W143-V177 HydrophobicContact CD2-CG2 4.05Å; W143-V177 HydrophobicContact CE3-CB 4.37Å; W143-V177 HydrophobicContact CE3-CG2 3.56Å; W143-V177 HydrophobicContact CG-CG2 4.28Å; W143-V177 HydrophobicContact CZ3-CG2 4.33Å; W143-F201 HydrophobicContact CH2-CE2 4.16Å; W143-W202 HydrophobicContact CE3-CE3 4.5Å; W143-W202 HydrophobicContact CE3-CZ3 4.32Å; W143-W202 HydrophobicContact CZ3-CE3 4.33Å; W143-W202 HydrophobicContact CZ3-CZ3 4.38Å
144R91Very high81.5Confident88 Ų8878.1 Ų78.133%0.33238%0.375SS..Hα-helixtrans-61.9-41.5175-162.7-170.870.478.41.1110.7R140 E141 M148 I159R140-R144 PolarHBondContact O-N 3.43Å; E141-R144 VanDerWaalsContact CD-NE 3.34Å; E141-R144 PolarHBondContact O-N 2.81Å; E141-R144 VanDerWaalsContact O-N 3.13Å; E141-R144 IonicContact OE1-CZ 3.35Å; E141-R144 IonicContact OE1-NE 2.8Å; E141-R144 PolarHBondContact OE1-NE 2.94Å; E141-R144 IonicContact OE1-NH2 2.68Å; E141-R144 PolarHBondContact OE1-NH2 2.83Å; E141-R144 WeakPolarHBondContact OE2-CD 3.27Å; E141-R144 IonicContact OE2-CZ 3.74Å; E141-R144 IonicContact OE2-NE 3.2Å; E141-R144 PolarHBondContact OE2-NE 2.91Å; E141-R144 IonicContact OE2-NH2 3.81Å; R144-M148 VanDerWaalsContact O-CG 3.28Å; R144-M148 WeakPolarHBondContact O-CG 3.35Å; R144-M148 PolarHBondContact O-N 3.16Å; R144-I159 HydrophobicContact CB-CD1 3.88Å; R144-I159 HydrophobicContact CG-CD1 4.47Å
145C87.9Confident82Confident66 Ų6676.4 Ų76.445%0.44637%0.369SS..Hα-helixtrans-66.4-43.4175.8-71.80000112.8E141 W143 M148 R149E141-C145 WeakPolarHBondContact O-CB 3.27Å; E141-C145 PolarHBondContact O-N 3.02Å; E141-C145 PolarHBondContact O-SG 2.69Å; E141-C145 VanDerWaalsContact O-SG 3.41Å; W143-C145 VanDerWaalsContact C-N 3.3Å; W143-C145 PolarHBondContact O-N 2.98Å; C145-M148 PolarHBondContact O-N 2.88Å; C145-R149 WeakPolarHBondContact O-CB 3.23Å; C145-R149 PolarHBondContact O-N 3.26Å
146E83.9Confident82.9Confident23 Ų2375.8 Ų75.811%0.10736%0.361CS..Hα-helixtrans-64.8-40.3175.8-17772.5170.400111.7F137 D142 W143 R149 T150 W202 K334F137-E146 HydrophobicContact CE1-CB 3.87Å; F137-E146 HydrophobicContact CE1-CG 4.34Å; F137-E146 HydrophobicContact CZ-CB 4.32Å; D142-E146 PolarHBondContact O-N 3.46Å; D142-E146 VanDerWaalsContact O-N 3.09Å; W143-E146 PolarHBondContact O-N 3.33Å; E146-R149 VanDerWaalsContact CD-NH2 3.28Å; E146-R149 WeakPolarHBondContact O-CB 3.44Å; E146-R149 PolarHBondContact O-N 2.95Å; E146-R149 IonicContact OE1-CZ 2.87Å; E146-R149 IonicContact OE1-NE 3.23Å; E146-R149 IonicContact OE1-NH2 3.42Å; E146-R149 PolarHBondContact OE1-NH2 2.81Å; E146-R149 IonicContact OE2-CZ 3.34Å; E146-R149 IonicContact OE2-NE 3.75Å; E146-R149 PolarHBondContact OE2-NE 3.08Å; E146-R149 IonicContact OE2-NH2 3.43Å; E146-R149 PolarHBondContact OE2-NH2 3.47Å; E146-T150 WeakPolarHBondContact O-CG2 3.36Å; E146-T150 PolarHBondContact O-N 3.13Å; E146-T150 PolarHBondContact O-OG1 2.77Å; E146-W202 HydrophobicContact CG-CH2 3.97Å; E146-W202 HydrophobicContact CG-CZ3 4.1Å; E146-K334 IonicContact OE1-NZ 2.76Å; E146-K334 PolarHBondContact OE1-NZ 2.9Å
147L87.4Confident83.6Confident3 Ų370.3 Ų70.32%0.01633%0.331CS..Hα-helixtrans-59.3-46.2173.3-82.1167.3000112.5W143 R149 T150 G151 S152 W157 I159 V177 W202W143-L147 WeakPolarHBondContact O-CB 3.5Å; W143-L147 WeakPolarHBondContact O-CG 3.3Å; W143-L147 PolarHBondContact O-N 3.39Å; L147-R149 VanDerWaalsContact C-N 3.31Å; L147-R149 PolarHBondContact O-N 3.35Å; L147-T150 PolarHBondContact O-N 2.88Å; L147-T150 PolarHBondContact O-OG1 3.45Å; L147-G151 PolarHBondContact O-N 2.9Å; L147-S152 WeakPolarHBondContact O-CB 3.46Å; L147-S152 PolarHBondContact O-N 3.28Å; L147-W157 HydrophobicContact CD1-CB 4.48Å; L147-W157 HydrophobicContact CD2-CB 3.76Å; L147-W157 HydrophobicContact CD2-CG 4.11Å; L147-I159 HydrophobicContact CD1-CD1 4.24Å; L147-I159 HydrophobicContact CD1-CG1 3.97Å; L147-V177 HydrophobicContact CD1-CG1 4.23Å; L147-V177 HydrophobicContact CD1-CG2 3.89Å; L147-V177 HydrophobicContact CD2-CG1 4.14Å; L147-V177 HydrophobicContact CG-CG2 4.28Å; L147-W202 HydrophobicContact CD2-CD2 4.39Å; L147-W202 HydrophobicContact CD2-CH2 3.83Å; L147-W202 HydrophobicContact CD2-CZ2 3.66Å; L147-W202 HydrophobicContact CD2-CZ3 4.28Å; L147-W202 HydrophobicContact CG-CH2 4.12Å; L147-W202 HydrophobicContact CG-CZ2 4.45Å; L147-W202 HydrophobicContact CG-CZ3 4.38Å
148M87.8Confident84.1Confident110 Ų11070.4 Ų70.454%0.54233%0.33SS..Hα-helixtrans-62.9-38.9174.8-67.9-62.7-57.400111.5R144 C145 T150 G151R144-M148 VanDerWaalsContact O-CG 3.28Å; R144-M148 WeakPolarHBondContact O-CG 3.35Å; R144-M148 PolarHBondContact O-N 3.16Å; C145-M148 PolarHBondContact O-N 2.88Å; M148-T150 VanDerWaalsContact C-N 3.31Å; M148-T150 PolarHBondContact O-N 2.6Å; M148-G151 PolarHBondContact O-N 3.29Å
149R84.1Confident84.5Confident143 Ų14368 Ų6854%0.5432%0.317SS..Hα-helixtrans-66.4-29.7178.9-165.7-163.262.971.70.3113C145 E146 L147 G151C145-R149 WeakPolarHBondContact O-CB 3.23Å; C145-R149 PolarHBondContact O-N 3.26Å; E146-R149 VanDerWaalsContact CD-NH2 3.28Å; E146-R149 WeakPolarHBondContact O-CB 3.44Å; E146-R149 PolarHBondContact O-N 2.95Å; E146-R149 IonicContact OE1-CZ 2.87Å; E146-R149 IonicContact OE1-NE 3.23Å; E146-R149 IonicContact OE1-NH2 3.42Å; E146-R149 PolarHBondContact OE1-NH2 2.81Å; E146-R149 IonicContact OE2-CZ 3.34Å; E146-R149 IonicContact OE2-NE 3.75Å; E146-R149 PolarHBondContact OE2-NE 3.08Å; E146-R149 IonicContact OE2-NH2 3.43Å; E146-R149 PolarHBondContact OE2-NH2 3.47Å; L147-R149 VanDerWaalsContact C-N 3.31Å; L147-R149 PolarHBondContact O-N 3.35Å; R149-G151 VanDerWaalsContact C-N 3.33Å
150T80.9Confident84.7Confident8 Ų859.6 Ų59.65%0.04929%0.285CS..THydrogen-bonded Turntrans-87.31.7177.352.90000113.9E146 L147 M148 S152 W202 W204E146-T150 WeakPolarHBondContact O-CG2 3.36Å; E146-T150 PolarHBondContact O-N 3.13Å; E146-T150 PolarHBondContact O-OG1 2.77Å; L147-T150 PolarHBondContact O-N 2.88Å; L147-T150 PolarHBondContact O-OG1 3.45Å; M148-T150 VanDerWaalsContact C-N 3.31Å; M148-T150 PolarHBondContact O-N 2.6Å; T150-S152 PolarHBondContact O-N 3.46Å; T150-S152 PolarHBondContact OG1-OG 3.13Å; T150-W202 HydrophobicContact CG2-CH2 4.22Å; T150-W202 HydrophobicContact CG2-CZ2 4.26Å; T150-W202 WeakPolarHBondContact OG1-CZ2 3.49Å; T150-W204 HydrophobicContact CG2-CG 4.29Å
151G75.7Confident84.8Confident47 Ų4753.4 Ų53.449%0.48526%0.263SS..THydrogen-bonded Turntrans66.818.1-171.600000113.1L147 M148 R149 N153L147-G151 PolarHBondContact O-N 2.9Å; M148-G151 PolarHBondContact O-N 3.29Å; R149-G151 VanDerWaalsContact C-N 3.33Å; G151-N153 PolarHBondContact O-N 3.11Å
152S71.3Confident84.8Confident6 Ų649.3 Ų49.34%0.04224%0.244CC..  trans-77.6105.9-179.7-61.80000110.1L147 T150 Q154 S205L147-S152 WeakPolarHBondContact O-CB 3.46Å; L147-S152 PolarHBondContact O-N 3.28Å; T150-S152 PolarHBondContact O-N 3.46Å; T150-S152 PolarHBondContact OG1-OG 3.13Å; S152-Q154 PolarHBondContact O-N 2.81Å; S152-S205 WeakPolarHBondContact OG-CB 3.23Å; S152-S205 PolarHBondContact OG-OG 3.29Å
153N66Low84.8Confident99 Ų9948.6 Ų48.653%0.52924%0.243SC..  trans-56.2131.5173-75.8-19.7000111.1G151 H155 H156G151-N153 PolarHBondContact O-N 3.11Å; N153-H155 PolarHBondContact O-N 2.93Å; N153-H156 PolarHBondContact O-N 3.41Å
154Q64.1Low84.8Confident99 Ų9954.5 Ų54.546%0.46327%0.27SS..THydrogen-bonded Turntrans-63.7-9.5177.7-62.6177.438.800112.9S152 H156S152-Q154 PolarHBondContact O-N 2.81Å; Q154-H156 VanDerWaalsContact C-N 3.32Å
155H76.3Confident84.7Confident140 Ų14056.9 Ų56.965%0.64829%0.285SS*.THydrogen-bonded Turntrans-76.8-12.4172.4-53.3-63.2000113.8N153 L180 F239N153-H155 PolarHBondContact O-N 2.93Å; H155-L180 WeakPolarHBondContact O-CD2 3.15Å; H155-F239 WeakPolarHBondContact O-CD1 3.26Å; H155-F239 WeakPolarHBondContact O-CE1 3.37Å
156H88.8Confident84.5Confident48 Ų4855.4 Ų55.422%0.22227%0.272CS..THydrogen-bonded Turntrans-107-28.2-179.1-62.7-152.5000111.7N153 Q154 L180 F239N153-H156 PolarHBondContact O-N 3.41Å; Q154-H156 VanDerWaalsContact C-N 3.32Å; H156-L180 PolarHBondContact O-N 2.96Å; H156-F239 HydrophobicContact CB-CB 3.77Å; H156-F239 HydrophobicContact CB-CD1 4.36Å; H156-F239 HydrophobicContact CB-CG 4.16Å; H156-F239 PolarHBondContact CE1-O 2.81Å; H156-F239 PolarHBondContact ND1-O 3.49Å
157W92.7Very high84.4Confident15 Ų1562.5 Ų62.56%0.05731%0.305CS..EExtended strand (participates in β ladder)trans-134.5131.7-167.9-59.1101.5000111L147 V177 P179 W202 S205 A211 L213L147-W157 HydrophobicContact CD1-CB 4.48Å; L147-W157 HydrophobicContact CD2-CB 3.76Å; L147-W157 HydrophobicContact CD2-CG 4.11Å; W157-V177 HydrophobicContact CB-CG1 3.77Å; W157-V177 HydrophobicContact CE3-CG1 4.18Å; W157-V177 HydrophobicContact CG-CG1 4.36Å; W157-P179 HydrophobicContact CE3-CG 4.49Å; W157-P179 HydrophobicContact CH2-CG 4.4Å; W157-P179 HydrophobicContact CZ3-CB 4.26Å; W157-P179 HydrophobicContact CZ3-CG 3.77Å; W157-W202 AromaticContact CD2-CD1 3.53Å; W157-W202 HydrophobicContact CD2-CG 4.22Å; W157-W202 AromaticContact CD2-NE1 3.99Å; W157-W202 AromaticContact CE2-CD1 3.65Å; W157-W202 AromaticContact CE2-NE1 3.94Å; W157-W202 HydrophobicContact CE3-CB 3.89Å; W157-W202 AromaticContact CE3-CD1 3.56Å; W157-W202 AromaticContact CE3-CG 3.95Å; W157-W202 HydrophobicContact CE3-CG 3.95Å; W157-W202 AromaticContact CH2-CD1 3.92Å; W157-W202 AromaticContact CZ2-CD1 3.88Å; W157-W202 HydrophobicContact CZ3-CB 3.98Å; W157-W202 AromaticContact CZ3-CD1 3.74Å; W157-W202 HydrophobicContact CZ3-CG 4.23Å; W157-S205 PolarHBondContact NE1-OG 3.09Å; W157-A211 HydrophobicContact CH2-CB 3.76Å; W157-A211 HydrophobicContact CZ2-CB 3.34Å; W157-L213 HydrophobicContact CH2-CD1 4.39Å; W157-L213 HydrophobicContact CH2-CD2 3.89Å; W157-L213 HydrophobicContact CH2-CG 4.44Å; W157-L213 HydrophobicContact CZ3-CD2 3.79Å
158R93.5Very high84.1Confident51 Ų5165.8 Ų65.819%0.19232%0.323CS..EExtended strand (participates in β ladder)trans-116.8152.1176.870.6178.6-171.582.712.4112V177 V178 L180 W182 D184R158-V177 WeakPolarHBondContact O-CA 3.41Å; R158-V178 HydrophobicContact CG-CG2 3.72Å; R158-V178 PolarHBondContact N-O 3.36Å; R158-V178 PolarHBondContact O-N 3.12Å; R158-L180 HydrophobicContact CB-CD1 3.97Å; R158-L180 WeakPolarHBondContact CD-O 3.31Å; R158-W182 VanDerWaalsContact CZ-O 3.22Å; R158-W182 PolarHBondContact NE-O 3.01Å; R158-W182 PolarHBondContact NH2-O 2.84Å; R158-D184 IonicContact CZ-OD1 2.64Å; R158-D184 IonicContact CZ-OD2 3.53Å; R158-D184 VanDerWaalsContact NH1-CG 3.35Å; R158-D184 IonicContact NH1-OD1 3.68Å; R158-D184 PolarHBondContact NH1-OD1 2.93Å; R158-D184 IonicContact NH1-OD2 3.4Å; R158-D184 PolarHBondContact NH1-OD2 3.29Å; R158-D184 IonicContact NH2-OD1 3.38Å; R158-D184 PolarHBondContact NH2-OD1 3.44Å; R158-D184 IonicContact NH2-OD2 2.76Å; R158-D184 PolarHBondContact NH2-OD2 3.2Å
159I94.4Very high83.7Confident28 Ų2860.6 Ų60.614%0.14430%0.297CS..EExtended strand (participates in β ladder)trans-97.899.6179-52.6160.3000109.1R140 W143 R144 L147 F175 F176 V177R140-I159 HydrophobicContact CB-CG2 4.38Å; R140-I159 HydrophobicContact CG-CB 4.24Å; R140-I159 HydrophobicContact CG-CD1 3.93Å; R140-I159 HydrophobicContact CG-CG2 3.97Å; R140-I159 PolarHBondContact NH2-O 3.36Å; R140-I159 WeakPolarHBondContact O-CD1 3.46Å; W143-I159 HydrophobicContact CB-CD1 4.03Å; W143-I159 HydrophobicContact CB-CG1 4.08Å; W143-I159 HydrophobicContact CB-CG2 4.07Å; W143-I159 HydrophobicContact CG-CG2 4.39Å; R144-I159 HydrophobicContact CB-CD1 3.88Å; R144-I159 HydrophobicContact CG-CD1 4.47Å; L147-I159 HydrophobicContact CD1-CD1 4.24Å; L147-I159 HydrophobicContact CD1-CG1 3.97Å; I159-F175 HydrophobicContact CG2-CB 3.97Å; I159-F176 CarbonylContact C-O 3.6Å; I159-F176 WeakPolarHBondContact CA-O 3.35Å; I159-V177 HydrophobicContact CG1-CG2 4.05Å
160T93.9Very high83.4Confident1 Ų157.9 Ų57.91%0.00629%0.293CS..EExtended strand (participates in β ladder)trans-74.2155.3175.8177.90000111.5C162 F175 F176 V178 D184T160-C162 WeakPolarHBondContact OG1-CB 3.5Å; T160-C162 PolarHBondContact OG1-N 3.1Å; T160-C162 PolarHBondContact OG1-SG 3.37Å; T160-C162 VanDerWaalsContact OG1-SG 3.41Å; T160-F175 VanDerWaalsContact O-CA 3.3Å; T160-F175 WeakPolarHBondContact O-CA 3.44Å; T160-F176 HydrophobicContact CG2-CD1 4.13Å; T160-F176 HydrophobicContact CG2-CD2 3.55Å; T160-F176 HydrophobicContact CG2-CE1 4Å; T160-F176 HydrophobicContact CG2-CE2 3.41Å; T160-F176 VanDerWaalsContact CG2-CE2 3.41Å; T160-F176 HydrophobicContact CG2-CG 3.93Å; T160-F176 HydrophobicContact CG2-CZ 3.64Å; T160-F176 WeakPolarHBondContact CG2-O 3.48Å; T160-F176 PolarHBondContact N-O 2.75Å; T160-F176 PolarHBondContact O-N 3.11Å; T160-V178 HydrophobicContact CG2-CG1 3.92Å; T160-V178 HydrophobicContact CG2-CG2 4Å; T160-D184 VanDerWaalsContact CB-OD1 3.26Å; T160-D184 WeakPolarHBondContact CB-OD1 3.49Å; T160-D184 VanDerWaalsContact OG1-CG 3.32Å; T160-D184 PolarHBondContact OG1-OD1 3.33Å
161A94Very high83.4Confident3 Ų362 Ų623%0.02531%0.311CS..  trans-10811.8171.500000112.5G163 K164 E165 F175A161-G163 PolarHBondContact O-N 3.3Å; A161-G163 VanDerWaalsContact O-N 3.08Å; A161-K164 WeakPolarHBondContact O-CA 3.43Å; A161-K164 WeakPolarHBondContact O-CB 3.08Å; A161-K164 PolarHBondContact O-N 3.03Å; A161-E165 VanDerWaalsContact CB-CD 3.45Å; A161-E165 HydrophobicContact CB-CG 4.27Å; A161-E165 VanDerWaalsContact CB-OE1 3.27Å; A161-E165 WeakPolarHBondContact CB-OE1 3.47Å; A161-E165 PolarHBondContact O-N 3.02Å; A161-F175 HydrophobicContact CB-CD1 3.88Å; A161-F175 HydrophobicContact CB-CE1 3.76Å
162C90.8Very high83.7Confident6 Ų660.7 Ų60.74%0.04129%0.291CS..Hα-helixtrans-52.5-33.3-178.9-85.20000114.6T160 K164 E165 N166 V169 F176 D184 F187T160-C162 WeakPolarHBondContact OG1-CB 3.5Å; T160-C162 PolarHBondContact OG1-N 3.1Å; T160-C162 PolarHBondContact OG1-SG 3.37Å; T160-C162 VanDerWaalsContact OG1-SG 3.41Å; C162-K164 PolarHBondContact O-N 3.22Å; C162-E165 PolarHBondContact O-N 2.84Å; C162-N166 WeakPolarHBondContact O-CB 3.33Å; C162-N166 PolarHBondContact O-N 2.98Å; C162-V169 HydrophobicContact CB-CG1 4.36Å; C162-V169 HydrophobicContact CB-CG2 4.38Å; C162-F176 HydrophobicContact CB-CE1 4.09Å; C162-F176 HydrophobicContact CB-CZ 4.01Å; C162-D184 VanDerWaalsContact SG-CB 3.56Å; C162-D184 VanDerWaalsContact SG-CG 3.55Å; C162-D184 PolarHBondContact SG-OD1 2.83Å; C162-F187 HydrophobicContact CB-CD2 4.33Å
163G87.7Confident84.3Confident14 Ų1462.5 Ų62.514%0.14430%0.303CS..Hα-helixtrans-66.8-23.2177.400000113.7A161A161-G163 PolarHBondContact O-N 3.3Å; A161-G163 VanDerWaalsContact O-N 3.08Å
164K89.4Confident85.5Confident147 Ų14759.8 Ų59.864%0.63929%0.291SS*.Hα-helixtrans-92-38.2173.1-173.2-168.2173.9-161.50112.4A161 C162 P174A161-K164 WeakPolarHBondContact O-CA 3.43Å; A161-K164 WeakPolarHBondContact O-CB 3.08Å; A161-K164 PolarHBondContact O-N 3.03Å; C162-K164 PolarHBondContact O-N 3.22Å; K164-P174 HydrophobicContact CB-CB 4.16Å; K164-P174 WeakPolarHBondContact CB-O 3.19Å; K164-P174 PolarHBondContact N-O 3.06Å
165E88.1Confident86.8Confident138 Ų13856.8 Ų56.865%0.64528%0.276SS*.Hα-helixtrans-95.8-29.1-166.4-70.6164.5-174.900113.8A161 C162A161-E165 VanDerWaalsContact CB-CD 3.45Å; A161-E165 HydrophobicContact CB-CG 4.27Å; A161-E165 VanDerWaalsContact CB-OE1 3.27Å; A161-E165 WeakPolarHBondContact CB-OE1 3.47Å; A161-E165 PolarHBondContact O-N 3.02Å; C162-E165 PolarHBondContact O-N 2.84Å
166N83Confident87.5Confident35 Ų3550.1 Ų50.119%0.18725%0.245CC..  trans-112.1112.1179.7-178.9-6.7000110.2C162 L168 V169C162-N166 WeakPolarHBondContact O-CB 3.33Å; C162-N166 PolarHBondContact O-N 2.98Å; N166-L168 PolarHBondContact O-N 2.87Å; N166-L168 VanDerWaalsContact O-N 3.11Å; N166-L168 VanDerWaalsContact OD1-CB 3.31Å; N166-L168 WeakPolarHBondContact OD1-CB 3.05Å; N166-L168 PolarHBondContact OD1-N 2.85Å; N166-V169 HydrophobicContact CB-CG2 3.91Å; N166-V169 PolarHBondContact O-N 2.85Å
167Q82.5Confident87.7Confident171 Ų17147.9 Ų47.980%0.79924%0.235SC*.G310 helixtrans-60.5-23.3-179.7-62.8-173.412.600113.3V169 N170Q167-V169 PolarHBondContact O-N 2.91Å; Q167-N170 WeakPolarHBondContact O-CB 3.31Å; Q167-N170 PolarHBondContact O-N 3.34Å; Q167-N170 PolarHBondContact O-ND2 2.95Å
168L80.8Confident87.8Confident72 Ų7247.1 Ų47.138%0.37723%0.232SC..G310 helixtrans-70.7-11174-56.6176.4000113.3N166 A191 Q197N166-L168 PolarHBondContact O-N 2.87Å; N166-L168 VanDerWaalsContact O-N 3.11Å; N166-L168 VanDerWaalsContact OD1-CB 3.31Å; N166-L168 WeakPolarHBondContact OD1-CB 3.05Å; N166-L168 PolarHBondContact OD1-N 2.85Å; L168-A191 HydrophobicContact CB-CB 3.72Å; L168-Q197 WeakPolarHBondContact O-CB 3.39Å
169V80Confident87.8Confident2 Ų244.8 Ų44.81%0.01222%0.223CC..G310 helixtrans-110.114.1-177.5-162.60000111.5C162 N166 Q167 K171 Y172 F176 F187C162-V169 HydrophobicContact CB-CG1 4.36Å; C162-V169 HydrophobicContact CB-CG2 4.38Å; N166-V169 HydrophobicContact CB-CG2 3.91Å; N166-V169 PolarHBondContact O-N 2.85Å; Q167-V169 PolarHBondContact O-N 2.91Å; V169-K171 PolarHBondContact O-N 3.25Å; V169-Y172 HydrophobicContact CG1-CD2 3.95Å; V169-Y172 PolarHBondContact O-N 3.3Å; V169-Y172 VanDerWaalsContact O-N 3.08Å; V169-F176 HydrophobicContact CG1-CE1 3.8Å; V169-F176 HydrophobicContact CG1-CZ 3.86Å; V169-F187 HydrophobicContact CG2-CB 3.83Å; V169-F187 HydrophobicContact CG2-CG 4.42Å
170N78.4Confident87.7Confident85 Ų8546.9 Ų46.946%0.45524%0.235SC..THydrogen-bonded Turntrans-62.52.2-178.274.955.8000115.5Q167Q167-N170 WeakPolarHBondContact O-CB 3.31Å; Q167-N170 PolarHBondContact O-N 3.34Å; Q167-N170 PolarHBondContact O-ND2 2.95Å
171K81.3Confident87.6Confident96 Ų9648.8 Ų48.842%0.41725%0.248SC..THydrogen-bonded Turntrans-94.12.1174.4-50.9-53.2177.3-149.40113.4V169 S196 Q197 R198V169-K171 PolarHBondContact O-N 3.25Å; K171-S196 WeakPolarHBondContact CG-O 3.37Å; K171-Q197 HydrophobicContact CG-CB 4.48Å; K171-R198 HydrophobicContact CB-CG 4.05Å; K171-R198 PolarHBondContact O-NE 3.38Å; K171-R198 VanDerWaalsContact O-NE 3.12Å; K171-R198 PolarHBondContact O-NH2 3.04Å
172Y82Confident87.5Confident19 Ų1948.8 Ų48.88%0.07525%0.247CC..SBendtrans-114.5163.6169.5-74.5-46.2000112.1V169 F176 R198 G199 F201V169-Y172 HydrophobicContact CG1-CD2 3.95Å; V169-Y172 PolarHBondContact O-N 3.3Å; V169-Y172 VanDerWaalsContact O-N 3.08Å; Y172-F176 HydrophobicContact CD2-CE1 4.18Å; Y172-F176 HydrophobicContact CD2-CZ 4.18Å; Y172-F176 HydrophobicContact CG-CD1 4.41Å; Y172-F176 HydrophobicContact CG-CE1 4.41Å; Y172-R198 HydrophobicContact CE1-CG 3.98Å; Y172-R198 HydrophobicContact CE2-CB 4.35Å; Y172-R198 HydrophobicContact CE2-CG 4.2Å; Y172-R198 VanDerWaalsContact OH-C 3.23Å; Y172-R198 WeakPolarHBondContact OH-CA 3.44Å; Y172-R198 VanDerWaalsContact OH-CB 3.27Å; Y172-R198 WeakPolarHBondContact OH-CB 3.36Å; Y172-R198 PolarHBondContact OH-O 3.49Å; Y172-G199 WeakPolarHBondContact CE2-O 3.5Å; Y172-G199 PolarHBondContact OH-O 3.01Å; Y172-F201 HydrophobicContact CD1-CD1 4.19Å; Y172-F201 AromaticContact CD1-CE1 3.89Å; Y172-F201 HydrophobicContact CD1-CE1 3.89Å; Y172-F201 HydrophobicContact CD1-CZ 4.4Å; Y172-F201 AromaticContact CE1-CD1 3.52Å; Y172-F201 HydrophobicContact CE1-CD1 3.52Å; Y172-F201 AromaticContact CE1-CE1 3.22Å; Y172-F201 HydrophobicContact CE1-CE1 3.22Å; Y172-F201 HydrophobicContact CE1-CZ 4.09Å; Y172-F201 HydrophobicContact CE2-CD1 4.22Å; Y172-F201 AromaticContact CZ-CD1 3.52Å; Y172-F201 AromaticContact CZ-CE1 3.71Å
173P83.5Confident87.4Confident43 Ų4351.7 Ų51.728%0.27927%0.266SS..  trans-60.1159.1173-18.732.3000111.1W143 F175W143-P173 HydrophobicContact CZ2-CG 4.4Å; P173-F175 PolarHBondContact O-N 2.94Å
174P90Very high87.5Confident43 Ų4353.7 Ų53.728%0.27927%0.273SS..SBendtrans-50.8-31.2-177.9-29.634.9000114.7D138 K164D138-P174 HydrophobicContact CB-CG 4.39Å; D138-P174 WeakPolarHBondContact OD1-CD 3.48Å; K164-P174 HydrophobicContact CB-CB 4.16Å; K164-P174 WeakPolarHBondContact CB-O 3.19Å; K164-P174 PolarHBondContact N-O 3.06Å
175F92.5Very high87.5Confident36 Ų3649.2 Ų49.216%0.15827%0.269CS..SBendtrans-126150.3170.1-56.6-86.8000109.7D138 R140 W143 I159 T160 A161 P173D138-F175 WeakPolarHBondContact O-CD2 3.38Å; D138-F175 WeakPolarHBondContact O-CE2 3.49Å; R140-F175 HydrophobicContact CB-CD1 4.05Å; R140-F175 HydrophobicContact CB-CE1 4.17Å; R140-F175 HydrophobicContact CB-CG 4.26Å; R140-F175 HydrophobicContact CB-CZ 4.49Å; W143-F175 PolarHBondContact NE1-O 2.9Å; I159-F175 HydrophobicContact CG2-CB 3.97Å; T160-F175 VanDerWaalsContact O-CA 3.3Å; T160-F175 WeakPolarHBondContact O-CA 3.44Å; A161-F175 HydrophobicContact CB-CD1 3.88Å; A161-F175 HydrophobicContact CB-CE1 3.76Å; P173-F175 PolarHBondContact O-N 2.94Å
176F91.4Very high87.4Confident0 Ų043.8 Ų43.80%024%0.244CC..EExtended strand (participates in β ladder)trans-156.2173170.258.1-89.9000110.6W143 I159 T160 C162 V169 Y172 V178 F187 F201W143-F176 HydrophobicContact CH2-CB 4.46Å; W143-F176 HydrophobicContact CZ2-CB 4.15Å; I159-F176 CarbonylContact C-O 3.6Å; I159-F176 WeakPolarHBondContact CA-O 3.35Å; T160-F176 HydrophobicContact CG2-CD1 4.13Å; T160-F176 HydrophobicContact CG2-CD2 3.55Å; T160-F176 HydrophobicContact CG2-CE1 4Å; T160-F176 HydrophobicContact CG2-CE2 3.41Å; T160-F176 VanDerWaalsContact CG2-CE2 3.41Å; T160-F176 HydrophobicContact CG2-CG 3.93Å; T160-F176 HydrophobicContact CG2-CZ 3.64Å; T160-F176 WeakPolarHBondContact CG2-O 3.48Å; T160-F176 PolarHBondContact N-O 2.75Å; T160-F176 PolarHBondContact O-N 3.11Å; C162-F176 HydrophobicContact CB-CE1 4.09Å; C162-F176 HydrophobicContact CB-CZ 4.01Å; V169-F176 HydrophobicContact CG1-CE1 3.8Å; V169-F176 HydrophobicContact CG1-CZ 3.86Å; Y172-F176 HydrophobicContact CD2-CE1 4.18Å; Y172-F176 HydrophobicContact CD2-CZ 4.18Å; Y172-F176 HydrophobicContact CG-CD1 4.41Å; Y172-F176 HydrophobicContact CG-CE1 4.41Å; F176-V178 HydrophobicContact CD2-CG1 3.79Å; F176-V178 HydrophobicContact CE2-CG1 3.57Å; F176-F187 HydrophobicContact CE2-CE1 4.32Å; F176-F187 HydrophobicContact CE2-CE2 4.25Å; F176-F187 AromaticContact CE2-CZ 3.84Å; F176-F187 HydrophobicContact CE2-CZ 3.84Å; F176-F187 HydrophobicContact CZ-CE1 4.32Å; F176-F187 HydrophobicContact CZ-CE2 4.34Å; F176-F187 HydrophobicContact CZ-CZ 4.12Å; F176-F201 HydrophobicContact CB-CD2 4.33Å; F176-F201 HydrophobicContact CD2-CB 3.74Å; F176-F201 HydrophobicContact CD2-CG 4.41Å; F176-F201 HydrophobicContact CE2-CB 4.25Å
177V92.6Very high87.5Confident0 Ų042.2 Ų42.20%024%0.236CC..EExtended strand (participates in β ladder)trans-106.3134.8-173.4177.30000111.6W143 L147 W157 R158 I159 F201 W202W143-V177 HydrophobicContact CB-CG2 4.03Å; W143-V177 HydrophobicContact CD2-CG2 4.05Å; W143-V177 HydrophobicContact CE3-CB 4.37Å; W143-V177 HydrophobicContact CE3-CG2 3.56Å; W143-V177 HydrophobicContact CG-CG2 4.28Å; W143-V177 HydrophobicContact CZ3-CG2 4.33Å; L147-V177 HydrophobicContact CD1-CG1 4.23Å; L147-V177 HydrophobicContact CD1-CG2 3.89Å; L147-V177 HydrophobicContact CD2-CG1 4.14Å; L147-V177 HydrophobicContact CG-CG2 4.28Å; W157-V177 HydrophobicContact CB-CG1 3.77Å; W157-V177 HydrophobicContact CE3-CG1 4.18Å; W157-V177 HydrophobicContact CG-CG1 4.36Å; R158-V177 WeakPolarHBondContact O-CA 3.41Å; I159-V177 HydrophobicContact CG1-CG2 4.05Å; V177-F201 WeakPolarHBondContact O-CB 3.44Å; V177-W202 HydrophobicContact CB-CB 3.9Å; V177-W202 HydrophobicContact CB-CD2 4.16Å; V177-W202 HydrophobicContact CB-CE3 3.76Å; V177-W202 HydrophobicContact CB-CG 4.28Å; V177-W202 HydrophobicContact CG1-CB 3.64Å; V177-W202 HydrophobicContact CG1-CD2 3.83Å; V177-W202 HydrophobicContact CG1-CE3 3.9Å; V177-W202 HydrophobicContact CG1-CG 3.77Å; V177-W202 HydrophobicContact CG2-CE3 4.05Å; V177-W202 HydrophobicContact CG2-CZ3 4.41Å; V177-W202 WeakPolarHBondContact O-CB 3.41Å; V177-W202 PolarHBondContact O-N 3.01Å
178V93.8Very high87.4Confident0 Ų035.8 Ų35.80%022%0.216CC..EExtended strand (participates in β ladder)trans-136.9163179.5-63.40000110.1R158 T160 F176 F187R158-V178 HydrophobicContact CG-CG2 3.72Å; R158-V178 PolarHBondContact N-O 3.36Å; R158-V178 PolarHBondContact O-N 3.12Å; T160-V178 HydrophobicContact CG2-CG1 3.92Å; T160-V178 HydrophobicContact CG2-CG2 4Å; F176-V178 HydrophobicContact CD2-CG1 3.79Å; F176-V178 HydrophobicContact CE2-CG1 3.57Å; V178-F187 HydrophobicContact CG1-CE2 4.12Å; V178-F187 HydrophobicContact CG1-CZ 3.91Å
179P94Very high87.6Confident1 Ų137 Ų371%0.00623%0.226CC..EExtended strand (participates in β ladder)trans-56.6147.3174.3-22.232.6000111.9W157 S181 W182 F232 S235 V236W157-P179 HydrophobicContact CE3-CG 4.49Å; W157-P179 HydrophobicContact CH2-CG 4.4Å; W157-P179 HydrophobicContact CZ3-CB 4.26Å; W157-P179 HydrophobicContact CZ3-CG 3.77Å; P179-S181 PolarHBondContact O-N 3.41Å; P179-W182 HydrophobicContact CB-CB 4.29Å; P179-W182 HydrophobicContact CG-CB 4.48Å; P179-W182 WeakPolarHBondContact O-CB 3.32Å; P179-W182 PolarHBondContact O-N 3.14Å; P179-F232 HydrophobicContact CG-CE2 4.44Å; P179-S235 WeakPolarHBondContact CB-O 3.18Å; P179-V236 HydrophobicContact CG-CG2 3.77Å
180L92.7Very high87.8Confident73 Ų7336.9 Ų36.938%0.38223%0.225SC..THydrogen-bonded Turntrans-58.4-44.3-175.3178.361.9000112.7H155 H156 R158 W182 F239H155-L180 WeakPolarHBondContact O-CD2 3.15Å; H156-L180 PolarHBondContact O-N 2.96Å; R158-L180 HydrophobicContact CB-CD1 3.97Å; R158-L180 WeakPolarHBondContact CD-O 3.31Å; L180-W182 VanDerWaalsContact C-N 3.33Å; L180-W182 PolarHBondContact O-N 2.82Å; L180-F239 HydrophobicContact CB-CE1 4.44Å; L180-F239 HydrophobicContact CB-CE2 3.97Å; L180-F239 HydrophobicContact CB-CZ 3.88Å; L180-F239 HydrophobicContact CD2-CE1 4.27Å; L180-F239 HydrophobicContact CD2-CZ 4.18Å; L180-F239 HydrophobicContact CG-CZ 4.34Å
181S92Very high88Confident41 Ų4132.9 Ų32.929%0.28720%0.204SC..THydrogen-bonded Turntrans-80.4-7.2-17964.80000114.8P179 P183 S235 E238P179-S181 PolarHBondContact O-N 3.41Å; S181-P183 VanDerWaalsContact O-CD 3.23Å; S181-P183 WeakPolarHBondContact O-CD 3.12Å; S181-S235 WeakPolarHBondContact OG-CA 3.4Å; S181-S235 VanDerWaalsContact OG-CB 3.24Å; S181-S235 WeakPolarHBondContact OG-CB 3.23Å; S181-S235 PolarHBondContact OG-OG 2.9Å; S181-E238 WeakPolarHBondContact CB-OE2 3.2Å; S181-E238 PolarHBondContact OG-OE2 2.74Å
182W91.3Very high88.3Confident2 Ų231.9 Ų31.91%0.00821%0.214CC..  trans-69119.7173.8-177.6-58.3000109.3R158 P179 L180 I186 F187 W194 P200 F232R158-W182 VanDerWaalsContact CZ-O 3.22Å; R158-W182 PolarHBondContact NE-O 3.01Å; R158-W182 PolarHBondContact NH2-O 2.84Å; P179-W182 HydrophobicContact CB-CB 4.29Å; P179-W182 HydrophobicContact CG-CB 4.48Å; P179-W182 WeakPolarHBondContact O-CB 3.32Å; P179-W182 PolarHBondContact O-N 3.14Å; L180-W182 VanDerWaalsContact C-N 3.33Å; L180-W182 PolarHBondContact O-N 2.82Å; W182-I186 HydrophobicContact CZ2-CB 4.13Å; W182-I186 HydrophobicContact CZ2-CG2 3.59Å; W182-F187 AromaticContact CD1-CE2 3.87Å; W182-F187 HydrophobicContact CZ2-CZ 4.3Å; W182-F187 AromaticContact NE1-CD2 3.91Å; W182-F187 AromaticContact NE1-CE2 3.44Å; W182-F187 AromaticContact NE1-CZ 3.83Å; W182-W194 HydrophobicContact CH2-CH2 4.11Å; W182-W194 HydrophobicContact CH2-CZ2 4.02Å; W182-W194 AromaticContact CZ2-CH2 3.86Å; W182-W194 HydrophobicContact CZ2-CH2 3.86Å; W182-W194 HydrophobicContact CZ2-CZ2 4.23Å; W182-P200 HydrophobicContact CE3-CG 4.41Å; W182-P200 HydrophobicContact CH2-CG 3.32Å; W182-P200 HydrophobicContact CZ2-CG 4.38Å; W182-P200 HydrophobicContact CZ3-CB 4.44Å; W182-P200 HydrophobicContact CZ3-CG 3.3Å; W182-F232 HydrophobicContact CE3-CB 4.12Å; W182-F232 AromaticContact CE3-CD2 3.73Å; W182-F232 HydrophobicContact CE3-CD2 3.73Å; W182-F232 HydrophobicContact CE3-CG 4.23Å; W182-F232 HydrophobicContact CH2-CB 4.03Å; W182-F232 HydrophobicContact CH2-CG 4.4Å; W182-F232 HydrophobicContact CZ3-CB 3.33Å; W182-F232 HydrophobicContact CZ3-CD1 4.43Å; W182-F232 AromaticContact CZ3-CD2 3.38Å; W182-F232 HydrophobicContact CZ3-CD2 3.38Å; W182-F232 HydrophobicContact CZ3-CE2 4.25Å; W182-F232 AromaticContact CZ3-CG 3.48Å; W182-F232 HydrophobicContact CZ3-CG 3.48Å; W182-F232 VanDerWaalsContact CZ3-CG 3.48Å
183P89Confident88.6Confident68 Ų6833.1 Ų33.144%0.44222%0.222SC..  trans-86.7139.7178.233.5-32.7000112.9S181 G185 I186S181-P183 VanDerWaalsContact O-CD 3.23Å; S181-P183 WeakPolarHBondContact O-CD 3.12Å; P183-G185 PolarHBondContact O-N 3.41Å; P183-G185 VanDerWaalsContact O-N 3.13Å; P183-I186 HydrophobicContact CG-CD1 3.83Å; P183-I186 HydrophobicContact CG-CG1 4.02Å; P183-I186 PolarHBondContact O-N 2.99Å; P183-I186 VanDerWaalsContact O-N 3.16Å
184D90Very high88.8Confident55 Ų5531.3 Ų31.329%0.29421%0.209SC..THydrogen-bonded Turntrans-59.5-27.2-176.8-75.1-41.7000114R158 T160 C162 I186 F187R158-D184 IonicContact CZ-OD1 2.64Å; R158-D184 IonicContact CZ-OD2 3.53Å; R158-D184 VanDerWaalsContact NH1-CG 3.35Å; R158-D184 IonicContact NH1-OD1 3.68Å; R158-D184 PolarHBondContact NH1-OD1 2.93Å; R158-D184 IonicContact NH1-OD2 3.4Å; R158-D184 PolarHBondContact NH1-OD2 3.29Å; R158-D184 IonicContact NH2-OD1 3.38Å; R158-D184 PolarHBondContact NH2-OD1 3.44Å; R158-D184 IonicContact NH2-OD2 2.76Å; R158-D184 PolarHBondContact NH2-OD2 3.2Å; T160-D184 VanDerWaalsContact CB-OD1 3.26Å; T160-D184 WeakPolarHBondContact CB-OD1 3.49Å; T160-D184 VanDerWaalsContact OG1-CG 3.32Å; T160-D184 PolarHBondContact OG1-OD1 3.33Å; C162-D184 VanDerWaalsContact SG-CB 3.56Å; C162-D184 VanDerWaalsContact SG-CG 3.55Å; C162-D184 PolarHBondContact SG-OD1 2.83Å; D184-I186 PolarHBondContact O-N 3.22Å; D184-I186 VanDerWaalsContact O-N 3.15Å; D184-F187 WeakPolarHBondContact O-CB 3.28Å; D184-F187 PolarHBondContact O-N 3Å
185G87.8Confident88.6Confident54 Ų5429.3 Ų29.356%0.55720%0.197SC*.Hα-helixtrans-58-25.1176.600000114.7P183 F187 G188 T189P183-G185 PolarHBondContact O-N 3.41Å; P183-G185 VanDerWaalsContact O-N 3.13Å; G185-F187 VanDerWaalsContact C-N 3.29Å; G185-F187 PolarHBondContact O-N 2.78Å; G185-G188 PolarHBondContact O-N 3.42Å; G185-G188 VanDerWaalsContact O-N 3.07Å; G185-T189 PolarHBondContact O-N 2.91Å
186I86.9Confident88Confident23 Ų2330.1 Ų30.112%0.11821%0.207CC..Hα-helixtrans-65.9-32.9174.6-63.8173.6000110.8W182 P183 D184 G188 T189 A190 W194 V231W182-I186 HydrophobicContact CZ2-CB 4.13Å; W182-I186 HydrophobicContact CZ2-CG2 3.59Å; P183-I186 HydrophobicContact CG-CD1 3.83Å; P183-I186 HydrophobicContact CG-CG1 4.02Å; P183-I186 PolarHBondContact O-N 2.99Å; P183-I186 VanDerWaalsContact O-N 3.16Å; D184-I186 PolarHBondContact O-N 3.22Å; D184-I186 VanDerWaalsContact O-N 3.15Å; I186-G188 PolarHBondContact O-N 2.98Å; I186-T189 PolarHBondContact O-N 3.43Å; I186-T189 VanDerWaalsContact O-N 3.13Å; I186-T189 PolarHBondContact O-OG1 2.86Å; I186-A190 HydrophobicContact CG2-CB 3.87Å; I186-A190 WeakPolarHBondContact O-CB 3.23Å; I186-A190 PolarHBondContact O-N 2.98Å; I186-W194 HydrophobicContact CG2-CH2 4.35Å; I186-V231 HydrophobicContact CD1-CB 4.43Å; I186-V231 HydrophobicContact CD1-CG1 3.69Å
187F85Confident87.8Confident2 Ų233.1 Ų33.11%0.00922%0.221CC..Hα-helixtrans-65.1-27.3174-66.8-72000112C162 V169 F176 V178 W182 D184 G185 A191 W194C162-F187 HydrophobicContact CB-CD2 4.33Å; V169-F187 HydrophobicContact CG2-CB 3.83Å; V169-F187 HydrophobicContact CG2-CG 4.42Å; F176-F187 HydrophobicContact CE2-CE1 4.32Å; F176-F187 HydrophobicContact CE2-CE2 4.25Å; F176-F187 AromaticContact CE2-CZ 3.84Å; F176-F187 HydrophobicContact CE2-CZ 3.84Å; F176-F187 HydrophobicContact CZ-CE1 4.32Å; F176-F187 HydrophobicContact CZ-CE2 4.34Å; F176-F187 HydrophobicContact CZ-CZ 4.12Å; V178-F187 HydrophobicContact CG1-CE2 4.12Å; V178-F187 HydrophobicContact CG1-CZ 3.91Å; W182-F187 AromaticContact CD1-CE2 3.87Å; W182-F187 HydrophobicContact CZ2-CZ 4.3Å; W182-F187 AromaticContact NE1-CD2 3.91Å; W182-F187 AromaticContact NE1-CE2 3.44Å; W182-F187 AromaticContact NE1-CZ 3.83Å; D184-F187 WeakPolarHBondContact O-CB 3.28Å; D184-F187 PolarHBondContact O-N 3Å; G185-F187 VanDerWaalsContact C-N 3.29Å; G185-F187 PolarHBondContact O-N 2.78Å; F187-A191 WeakPolarHBondContact O-CB 3.31Å; F187-A191 PolarHBondContact O-N 2.7Å; F187-W194 HydrophobicContact CD1-CH2 4.28Å; F187-W194 AromaticContact CD1-CZ3 3.83Å; F187-W194 HydrophobicContact CD1-CZ3 3.83Å; F187-W194 HydrophobicContact CE1-CH2 4.34Å; F187-W194 HydrophobicContact CE1-CZ3 4.17Å
188G81.3Confident87.3Confident37 Ų3735.7 Ų35.738%0.38123%0.23SC..Hα-helixtrans-65.7-37.7171.600000113.6G185 I186G185-G188 PolarHBondContact O-N 3.42Å; G185-G188 VanDerWaalsContact O-N 3.07Å; I186-G188 PolarHBondContact O-N 2.98Å
189T84.1Confident87.1Confident96 Ų9635.7 Ų35.759%0.58923%0.231SC*.Hα-helixtrans-101.9-13.2-173.759.40000114.9G185 I186 Q228G185-T189 PolarHBondContact O-N 2.91Å; I186-T189 PolarHBondContact O-N 3.43Å; I186-T189 VanDerWaalsContact O-N 3.13Å; I186-T189 PolarHBondContact O-OG1 2.86Å; T189-Q228 PolarHBondContact O-NE2 3.33Å; T189-Q228 VanDerWaalsContact O-NE2 3.13Å
190A84.3Confident86.9Confident0 Ų035.7 Ų35.70%023%0.231CC..Hα-helixtrans-116.1-16.2-176.600000114.1I186 A192 N193 W194 Q228I186-A190 HydrophobicContact CG2-CB 3.87Å; I186-A190 WeakPolarHBondContact O-CB 3.23Å; I186-A190 PolarHBondContact O-N 2.98Å; A190-A192 VanDerWaalsContact C-N 3.25Å; A190-A192 PolarHBondContact O-N 3.49Å; A190-N193 WeakPolarHBondContact O-CB 3.41Å; A190-N193 PolarHBondContact O-N 3.34Å; A190-W194 HydrophobicContact CB-CE3 4.13Å; A190-W194 HydrophobicContact CB-CH2 3.34Å; A190-W194 HydrophobicContact CB-CZ2 3.86Å; A190-W194 HydrophobicContact CB-CZ3 3.5Å; A190-W194 VanDerWaalsContact O-CE3 3.23Å; A190-W194 PolarHBondContact O-N 3.29Å; A190-Q228 VanDerWaalsContact CB-CD 3.46Å; A190-Q228 HydrophobicContact CB-CG 4.22Å
191A83.7Confident86.7Confident1 Ų133.1 Ų33.11%0.00822%0.217CC..THydrogen-bonded Turntrans-55.3-39.2179.800000113.2L168 F187 N193 Q197L168-A191 HydrophobicContact CB-CB 3.72Å; F187-A191 WeakPolarHBondContact O-CB 3.31Å; F187-A191 PolarHBondContact O-N 2.7Å; A191-N193 PolarHBondContact O-N 3.3Å; A191-Q197 WeakPolarHBondContact O-CA 3.06Å; A191-Q197 WeakPolarHBondContact O-CG 3.39Å
192A85.7Confident86.6Confident75 Ų7531.1 Ų31.162%0.6220%0.203SC*.THydrogen-bonded Turntrans-67.7-17.9177.100000114.2A190A190-A192 VanDerWaalsContact C-N 3.25Å; A190-A192 PolarHBondContact O-N 3.49Å
193N88.9Confident86.5Confident46 Ų4632.7 Ų32.725%0.24621%0.213CC..THydrogen-bonded Turntrans-92.6-26-176-60.5-19000112.9A190 A191 F218 D219 T225 Q228A190-N193 WeakPolarHBondContact O-CB 3.41Å; A190-N193 PolarHBondContact O-N 3.34Å; A191-N193 PolarHBondContact O-N 3.3Å; N193-F218 HydrophobicContact CB-CD1 3.78Å; N193-F218 HydrophobicContact CB-CE1 4.28Å; N193-F218 CarbonylContact O-C 3.38Å; N193-F218 WeakPolarHBondContact O-CA 3.42Å; N193-D219 PolarHBondContact O-N 2.84Å; N193-T225 HydrophobicContact CB-CG2 3.63Å; N193-Q228 PolarHBondContact ND2-NE2 3.02Å; N193-Q228 PolarHBondContact ND2-OE1 2.94Å
194W87.7Confident86.5Confident4 Ų431.7 Ų31.72%0.01520%0.201CC..BIsolated β-bridgetrans-82.7137.4178-69-61.1000111.9W182 I186 F187 A190 S196 Q197 P200 A216 P217 F218W182-W194 HydrophobicContact CH2-CH2 4.11Å; W182-W194 HydrophobicContact CH2-CZ2 4.02Å; W182-W194 AromaticContact CZ2-CH2 3.86Å; W182-W194 HydrophobicContact CZ2-CH2 3.86Å; W182-W194 HydrophobicContact CZ2-CZ2 4.23Å; I186-W194 HydrophobicContact CG2-CH2 4.35Å; F187-W194 HydrophobicContact CD1-CH2 4.28Å; F187-W194 AromaticContact CD1-CZ3 3.83Å; F187-W194 HydrophobicContact CD1-CZ3 3.83Å; F187-W194 HydrophobicContact CE1-CH2 4.34Å; F187-W194 HydrophobicContact CE1-CZ3 4.17Å; A190-W194 HydrophobicContact CB-CE3 4.13Å; A190-W194 HydrophobicContact CB-CH2 3.34Å; A190-W194 HydrophobicContact CB-CZ2 3.86Å; A190-W194 HydrophobicContact CB-CZ3 3.5Å; A190-W194 VanDerWaalsContact O-CE3 3.23Å; A190-W194 PolarHBondContact O-N 3.29Å; W194-S196 PolarHBondContact O-N 2.93Å; W194-Q197 WeakPolarHBondContact O-CA 3.44Å; W194-Q197 PolarHBondContact O-N 3.12Å; W194-P200 VanDerWaalsContact CZ2-CD 3.5Å; W194-P200 HydrophobicContact CZ2-CG 4.46Å; W194-A216 HydrophobicContact CB-CB 4.45Å; W194-P217 WeakPolarHBondContact CA-O 3.25Å; W194-F218 AromaticContact CD1-CD1 3.58Å; W194-F218 AromaticContact CD1-CE1 3.49Å; W194-F218 VanDerWaalsContact CD1-CE1 3.49Å; W194-F218 AromaticContact CD1-CZ 4Å; W194-F218 HydrophobicContact CD2-CE1 4.36Å; W194-F218 AromaticContact CE2-CE1 3.72Å; W194-F218 HydrophobicContact CG-CD1 4.25Å; W194-F218 HydrophobicContact CG-CE1 4.21Å; W194-F218 HydrophobicContact CZ2-CE1 4.36Å; W194-F218 AromaticContact NE1-CD1 3.74Å; W194-F218 AromaticContact NE1-CE1 3.11Å; W194-F218 AromaticContact NE1-CZ 3.34Å; W194-F218 VanDerWaalsContact NE1-CZ 3.34Å
195S85.5Confident86.2Confident2 Ų229.4 Ų29.41%0.01419%0.189CC..G310 helixtrans-54.5125.3176.9-48.80000111.3Q197 A216 P217 D219 A324S195-Q197 PolarHBondContact O-N 3.25Å; S195-A216 WeakPolarHBondContact O-CB 3.48Å; S195-P217 PolarHBondContact N-O 3.37Å; S195-P217 PolarHBondContact OG-O 2.9Å; S195-D219 WeakPolarHBondContact CA-OD1 3.3Å; S195-D219 WeakPolarHBondContact CA-OD2 3.16Å; S195-D219 WeakPolarHBondContact CB-OD1 3.21Å; S195-D219 PolarHBondContact OG-OD1 3.32Å; S195-A324 VanDerWaalsContact CB-O 3.22Å; S195-A324 WeakPolarHBondContact CB-O 3.47Å; S195-A324 WeakPolarHBondContact OG-CA 3.44Å; S195-A324 PolarHBondContact OG-O 3.17Å
196S80.6Confident86.1Confident53 Ų5328.9 Ų28.937%0.37117%0.172SC..G310 helixtrans5925.5-175.1-420000115.1K171 W194 R198 P326K171-S196 WeakPolarHBondContact CG-O 3.37Å; W194-S196 PolarHBondContact O-N 2.93Å; S196-R198 VanDerWaalsContact C-N 3.28Å; S196-R198 PolarHBondContact O-N 3.35Å; S196-P326 WeakPolarHBondContact OG-CB 3.44Å
197Q86Confident86Confident62 Ų6234 Ų3429%0.2920%0.199SC..G310 helixtrans59.932.3178.8-60.6163.5-20.400114.1L168 K171 A191 W194 S195L168-Q197 WeakPolarHBondContact O-CB 3.39Å; K171-Q197 HydrophobicContact CG-CB 4.48Å; A191-Q197 WeakPolarHBondContact O-CA 3.06Å; A191-Q197 WeakPolarHBondContact O-CG 3.39Å; W194-Q197 WeakPolarHBondContact O-CA 3.44Å; W194-Q197 PolarHBondContact O-N 3.12Å; S195-Q197 PolarHBondContact O-N 3.25Å
198R83.7Confident86.1Confident54 Ų5435.8 Ų35.820%0.20421%0.209CC..  trans-112.871.1-170-84.9-179.2161.7-160.6-9113.5K171 Y172 S196 A216 Y331K171-R198 HydrophobicContact CB-CG 4.05Å; K171-R198 PolarHBondContact O-NE 3.38Å; K171-R198 VanDerWaalsContact O-NE 3.12Å; K171-R198 PolarHBondContact O-NH2 3.04Å; Y172-R198 HydrophobicContact CE1-CG 3.98Å; Y172-R198 HydrophobicContact CE2-CB 4.35Å; Y172-R198 HydrophobicContact CE2-CG 4.2Å; Y172-R198 VanDerWaalsContact OH-C 3.23Å; Y172-R198 WeakPolarHBondContact OH-CA 3.44Å; Y172-R198 VanDerWaalsContact OH-CB 3.27Å; Y172-R198 WeakPolarHBondContact OH-CB 3.36Å; Y172-R198 PolarHBondContact OH-O 3.49Å; S196-R198 VanDerWaalsContact C-N 3.28Å; S196-R198 PolarHBondContact O-N 3.35Å; R198-A216 HydrophobicContact CB-CB 3.82Å; R198-A216 WeakPolarHBondContact O-CB 3.34Å; R198-A216 PolarHBondContact O-N 3.21Å; R198-Y331 PolarHBondContact NH2-OH 3.47Å
199G87.9Confident86.3Confident1 Ų135 Ų351%0.0120%0.2CC..  trans-62.1168.2173.400000114.6Y172Y172-G199 WeakPolarHBondContact CE2-O 3.5Å; Y172-G199 PolarHBondContact OH-O 3.01Å
200P89.9Confident86.6Confident1 Ų130.4 Ų30.41%0.00617%0.172CC..  trans-63.5140.3-174.126.5-35.3000113.2W182 W194 R214 A215 F232W182-P200 HydrophobicContact CE3-CG 4.41Å; W182-P200 HydrophobicContact CH2-CG 3.32Å; W182-P200 HydrophobicContact CZ2-CG 4.38Å; W182-P200 HydrophobicContact CZ3-CB 4.44Å; W182-P200 HydrophobicContact CZ3-CG 3.3Å; W194-P200 VanDerWaalsContact CZ2-CD 3.5Å; W194-P200 HydrophobicContact CZ2-CG 4.46Å; P200-R214 VanDerWaalsContact CA-O 3.3Å; P200-R214 WeakPolarHBondContact CA-O 3.19Å; P200-A215 HydrophobicContact CB-CB 4.02Å; P200-F232 HydrophobicContact CB-CD1 3.97Å; P200-F232 HydrophobicContact CB-CD2 4.32Å; P200-F232 HydrophobicContact CB-CE1 3.44Å; P200-F232 VanDerWaalsContact CB-CE1 3.44Å; P200-F232 HydrophobicContact CB-CE2 3.83Å; P200-F232 HydrophobicContact CB-CG 4.38Å; P200-F232 HydrophobicContact CB-CZ 3.37Å; P200-F232 HydrophobicContact CG-CD1 3.86Å; P200-F232 HydrophobicContact CG-CD2 4.15Å; P200-F232 HydrophobicContact CG-CE1 3.88Å; P200-F232 HydrophobicContact CG-CE2 4.16Å; P200-F232 HydrophobicContact CG-CG 3.99Å; P200-F232 HydrophobicContact CG-CZ 4.05Å
201F88.9Confident86.9Confident18 Ų1830.4 Ų30.48%0.07917%0.172CC..EExtended strand (participates in β ladder)trans-146.7163.1167.981.3-79.5000112.3W143 Y172 F176 V177 L213 R214W143-F201 HydrophobicContact CH2-CE2 4.16Å; Y172-F201 HydrophobicContact CD1-CD1 4.19Å; Y172-F201 AromaticContact CD1-CE1 3.89Å; Y172-F201 HydrophobicContact CD1-CE1 3.89Å; Y172-F201 HydrophobicContact CD1-CZ 4.4Å; Y172-F201 AromaticContact CE1-CD1 3.52Å; Y172-F201 HydrophobicContact CE1-CD1 3.52Å; Y172-F201 AromaticContact CE1-CE1 3.22Å; Y172-F201 HydrophobicContact CE1-CE1 3.22Å; Y172-F201 HydrophobicContact CE1-CZ 4.09Å; Y172-F201 HydrophobicContact CE2-CD1 4.22Å; Y172-F201 AromaticContact CZ-CD1 3.52Å; Y172-F201 AromaticContact CZ-CE1 3.71Å; F176-F201 HydrophobicContact CB-CD2 4.33Å; F176-F201 HydrophobicContact CD2-CB 3.74Å; F176-F201 HydrophobicContact CD2-CG 4.41Å; F176-F201 HydrophobicContact CE2-CB 4.25Å; V177-F201 WeakPolarHBondContact O-CB 3.44Å; F201-L213 CarbonylContact O-C 3.53Å; F201-L213 VanDerWaalsContact O-CA 3.3Å; F201-L213 WeakPolarHBondContact O-CA 3.33Å; F201-L213 WeakPolarHBondContact O-CB 3.49Å; F201-R214 HydrophobicContact CD1-CG 3.75Å; F201-R214 VanDerWaalsContact CE1-CD 3.4Å; F201-R214 HydrophobicContact CE1-CG 3.35Å; F201-R214 HydrophobicContact CZ-CG 3.87Å; F201-R214 PolarHBondContact N-O 2.9Å; F201-R214 PolarHBondContact O-N 3.21Å
202W90.9Very high87.2Confident0 Ų031.7 Ų31.70%018%0.179CC..EExtended strand (participates in β ladder)trans-77.3139.1-177.417397.5000112.7W143 E146 L147 T150 W157 V177 W204 S205 L213W143-W202 HydrophobicContact CE3-CE3 4.5Å; W143-W202 HydrophobicContact CE3-CZ3 4.32Å; W143-W202 HydrophobicContact CZ3-CE3 4.33Å; W143-W202 HydrophobicContact CZ3-CZ3 4.38Å; E146-W202 HydrophobicContact CG-CH2 3.97Å; E146-W202 HydrophobicContact CG-CZ3 4.1Å; L147-W202 HydrophobicContact CD2-CD2 4.39Å; L147-W202 HydrophobicContact CD2-CH2 3.83Å; L147-W202 HydrophobicContact CD2-CZ2 3.66Å; L147-W202 HydrophobicContact CD2-CZ3 4.28Å; L147-W202 HydrophobicContact CG-CH2 4.12Å; L147-W202 HydrophobicContact CG-CZ2 4.45Å; L147-W202 HydrophobicContact CG-CZ3 4.38Å; T150-W202 HydrophobicContact CG2-CH2 4.22Å; T150-W202 HydrophobicContact CG2-CZ2 4.26Å; T150-W202 WeakPolarHBondContact OG1-CZ2 3.49Å; W157-W202 AromaticContact CD2-CD1 3.53Å; W157-W202 HydrophobicContact CD2-CG 4.22Å; W157-W202 AromaticContact CD2-NE1 3.99Å; W157-W202 AromaticContact CE2-CD1 3.65Å; W157-W202 AromaticContact CE2-NE1 3.94Å; W157-W202 HydrophobicContact CE3-CB 3.89Å; W157-W202 AromaticContact CE3-CD1 3.56Å; W157-W202 AromaticContact CE3-CG 3.95Å; W157-W202 HydrophobicContact CE3-CG 3.95Å; W157-W202 AromaticContact CH2-CD1 3.92Å; W157-W202 AromaticContact CZ2-CD1 3.88Å; W157-W202 HydrophobicContact CZ3-CB 3.98Å; W157-W202 AromaticContact CZ3-CD1 3.74Å; W157-W202 HydrophobicContact CZ3-CG 4.23Å; V177-W202 HydrophobicContact CB-CB 3.9Å; V177-W202 HydrophobicContact CB-CD2 4.16Å; V177-W202 HydrophobicContact CB-CE3 3.76Å; V177-W202 HydrophobicContact CB-CG 4.28Å; V177-W202 HydrophobicContact CG1-CB 3.64Å; V177-W202 HydrophobicContact CG1-CD2 3.83Å; V177-W202 HydrophobicContact CG1-CE3 3.9Å; V177-W202 HydrophobicContact CG1-CG 3.77Å; V177-W202 HydrophobicContact CG2-CE3 4.05Å; V177-W202 HydrophobicContact CG2-CZ3 4.41Å; V177-W202 WeakPolarHBondContact O-CB 3.41Å; V177-W202 PolarHBondContact O-N 3.01Å; W202-W204 VanDerWaalsContact NE1-C 3.26Å; W202-W204 PolarHBondContact NE1-O 2.77Å; W202-S205 PolarHBondContact NE1-OG 2.82Å; W202-L213 HydrophobicContact CB-CD2 4.42Å
203C88.4Confident87.5Confident34 Ų3428.1 Ų28.123%0.2315%0.149CC..EExtended strand (participates in β ladder)trans-110.2-37173.5-64.70000113L212 R214C203-L212 WeakPolarHBondContact CA-O 3.44Å; C203-L212 HydrophobicContact CB-CG 4.34Å; C203-L212 WeakPolarHBondContact CB-O 3.29Å; C203-L212 PolarHBondContact N-O 3.47Å; C203-R214 VanDerWaalsContact SG-CD 3.53Å; C203-R214 WeakPolarHBondContact SG-CG 3.35Å
204W88.3Confident87.5Confident48 Ų4828.4 Ų28.418%0.18215%0.147CC..EExtended strand (participates in β ladder)trans-169159.2-170.6-168.269.4000111.8T150 W202 H206 A211 L212T150-W204 HydrophobicContact CG2-CG 4.29Å; W202-W204 VanDerWaalsContact NE1-C 3.26Å; W202-W204 PolarHBondContact NE1-O 2.77Å; W204-H206 HydrophobicContact CH2-CB 4.16Å; W204-H206 AromaticContact CH2-CD2 3.51Å; W204-H206 HydrophobicContact CZ3-CB 3.79Å; W204-H206 AromaticContact CZ3-CD2 3.78Å; W204-A211 CarbonylContact O-C 3.59Å; W204-A211 WeakPolarHBondContact O-CA 3.21Å; W204-L212 HydrophobicContact CB-CB 4.21Å; W204-L212 PolarHBondContact N-O 3.08Å; W204-L212 VanDerWaalsContact N-O 3.16Å; W204-L212 PolarHBondContact O-N 2.97Å
205S85.6Confident87.5Confident6 Ų628.6 Ų28.64%0.04215%0.149CC..EExtended strand (participates in β ladder)trans-127.8147.4165.1-59.60000111.7S152 W157 W202 C210S152-S205 WeakPolarHBondContact OG-CB 3.23Å; S152-S205 PolarHBondContact OG-OG 3.29Å; W157-S205 PolarHBondContact NE1-OG 3.09Å; W202-S205 PolarHBondContact NE1-OG 2.82Å; S205-C210 CarbonylContact C-O 3.51Å; S205-C210 WeakPolarHBondContact CA-O 3.4Å
206H85Confident87.6Confident44 Ų4429 Ų2920%0.20415%0.153CC..  trans-87.7154.4168-164.8-96.6000110.5W204 N208 G209 C210 E312W204-H206 HydrophobicContact CH2-CB 4.16Å; W204-H206 AromaticContact CH2-CD2 3.51Å; W204-H206 HydrophobicContact CZ3-CB 3.79Å; W204-H206 AromaticContact CZ3-CD2 3.78Å; H206-N208 WeakPolarHBondContact CB-OD1 3.35Å; H206-N208 PolarHBondContact ND1-N 2.75Å; H206-N208 PolarHBondContact ND1-ND2 2.89Å; H206-N208 VanDerWaalsContact ND1-ND2 3.18Å; H206-N208 PolarHBondContact ND1-OD1 3.34Å; H206-N208 PolarHBondContact O-N 2.67Å; H206-N208 VanDerWaalsContact O-N 3.11Å; H206-G209 PolarHBondContact O-N 3.13Å; H206-C210 PolarHBondContact N-O 3.25Å; H206-E312 IonicContact CE1-OE2 3.52Å; H206-E312 PolarHBondContact CE1-OE2 2.84Å; H206-E312 IonicContact ND1-OE2 3.19Å; H206-E312 PolarHBondContact ND1-OE2 2.9Å; H206-E312 IonicContact NE2-OE2 3.88Å; H206-E312 PolarHBondContact NE2-OE2 2.77Å
207L83.8Confident87.9Confident130 Ų13027.3 Ų27.368%0.68114%0.141SC*.THydrogen-bonded Turntrans-65.6-12.7179.5-62177.4000113.6G209L207-G209 VanDerWaalsContact C-N 3.28Å
208N86.9Confident88.1Confident40 Ų4025.9 Ų25.921%0.21413%0.133CC..THydrogen-bonded Turntrans-83.92.1173.270.79.1000113.5H206 C210 L311 E312H206-N208 WeakPolarHBondContact CB-OD1 3.35Å; H206-N208 PolarHBondContact ND1-N 2.75Å; H206-N208 PolarHBondContact ND1-ND2 2.89Å; H206-N208 VanDerWaalsContact ND1-ND2 3.18Å; H206-N208 PolarHBondContact ND1-OD1 3.34Å; H206-N208 PolarHBondContact O-N 2.67Å; H206-N208 VanDerWaalsContact O-N 3.11Å; N208-C210 VanDerWaalsContact OD1-CB 3.25Å; N208-C210 WeakPolarHBondContact OD1-CB 2.99Å; N208-C210 PolarHBondContact OD1-N 2.9Å; N208-C210 PolarHBondContact OD1-SG 2.88Å; N208-L311 PolarHBondContact ND2-O 2.93Å; N208-E312 PolarHBondContact ND2-OE2 2.78Å
209G87.3Confident88.2Confident19 Ų1927.7 Ų27.720%0.19615%0.147CC..SBendtrans89.4-7.1179.800000115.6H206 L207H206-G209 PolarHBondContact O-N 3.13Å; L207-G209 VanDerWaalsContact C-N 3.28Å
210C90Very high88.2Confident0 Ų032.4 Ų32.40%018%0.176CC..  trans-70.6153.6171.4-55.50000111.1S205 H206 N208 H240 L311 K315 M316S205-C210 CarbonylContact C-O 3.51Å; S205-C210 WeakPolarHBondContact CA-O 3.4Å; H206-C210 PolarHBondContact N-O 3.25Å; N208-C210 VanDerWaalsContact OD1-CB 3.25Å; N208-C210 WeakPolarHBondContact OD1-CB 2.99Å; N208-C210 PolarHBondContact OD1-N 2.9Å; N208-C210 PolarHBondContact OD1-SG 2.88Å; C210-H240 PolarHBondContact SG-NE2 2.9Å; C210-L311 HydrophobicContact CB-CD2 3.86Å; C210-K315 VanDerWaalsContact SG-CA 3.55Å; C210-M316 PolarHBondContact SG-N 2.56Å
211A89.3Confident88.2Confident0 Ų038.1 Ų38.10%021%0.206CC..EExtended strand (participates in β ladder)trans-130.9145.3178.200000113.3W157 W204 L213 S317 V318W157-A211 HydrophobicContact CH2-CB 3.76Å; W157-A211 HydrophobicContact CZ2-CB 3.34Å; W204-A211 CarbonylContact O-C 3.59Å; W204-A211 WeakPolarHBondContact O-CA 3.21Å; A211-L213 HydrophobicContact CB-CD1 4.1Å; A211-S317 PolarHBondContact N-OG 3.34Å; A211-S317 CarbonylContact O-C 3.32Å; A211-S317 WeakPolarHBondContact O-CA 3.46Å; A211-S317 WeakPolarHBondContact O-CB 3.21Å; A211-V318 PolarHBondContact O-N 2.9Å
212L91.2Very high88.4Confident29 Ų2939.1 Ų39.115%0.15222%0.215CC..EExtended strand (participates in β ladder)trans-94.1123.4167.2-175.764000108.6C203 W204 L311 V318 I320C203-L212 WeakPolarHBondContact CA-O 3.44Å; C203-L212 HydrophobicContact CB-CG 4.34Å; C203-L212 WeakPolarHBondContact CB-O 3.29Å; C203-L212 PolarHBondContact N-O 3.47Å; W204-L212 HydrophobicContact CB-CB 4.21Å; W204-L212 PolarHBondContact N-O 3.08Å; W204-L212 VanDerWaalsContact N-O 3.16Å; W204-L212 PolarHBondContact O-N 2.97Å; L212-L311 HydrophobicContact CB-CD1 4.45Å; L212-V318 WeakPolarHBondContact CA-O 3.41Å; L212-V318 HydrophobicContact CD1-CB 4.05Å; L212-V318 HydrophobicContact CD1-CG1 4.12Å; L212-I320 HydrophobicContact CD1-CD1 3.88Å; L212-I320 HydrophobicContact CD1-CG1 3.97Å; L212-I320 HydrophobicContact CD2-CD1 4.5Å
213L91.4Very high88.6Confident0 Ų044.6 Ų44.60%024%0.241CC..EExtended strand (participates in β ladder)trans-122.9169.4177.4-57.6109.5000109.8W157 F201 W202 A211 F232 V236 V318 V319 I320W157-L213 HydrophobicContact CH2-CD1 4.39Å; W157-L213 HydrophobicContact CH2-CD2 3.89Å; W157-L213 HydrophobicContact CH2-CG 4.44Å; W157-L213 HydrophobicContact CZ3-CD2 3.79Å; F201-L213 CarbonylContact O-C 3.53Å; F201-L213 VanDerWaalsContact O-CA 3.3Å; F201-L213 WeakPolarHBondContact O-CA 3.33Å; F201-L213 WeakPolarHBondContact O-CB 3.49Å; W202-L213 HydrophobicContact CB-CD2 4.42Å; A211-L213 HydrophobicContact CB-CD1 4.1Å; L213-F232 HydrophobicContact CB-CZ 4.39Å; L213-F232 HydrophobicContact CD2-CE2 3.9Å; L213-F232 HydrophobicContact CD2-CZ 3.95Å; L213-V236 HydrophobicContact CD1-CG1 4.43Å; L213-V236 HydrophobicContact CD1-CG2 4.44Å; L213-V236 HydrophobicContact CD2-CG2 4.39Å; L213-V318 PolarHBondContact N-O 3.33Å; L213-V319 HydrophobicContact CB-CG1 4.39Å; L213-V319 HydrophobicContact CB-CG2 4.26Å; L213-V319 HydrophobicContact CD1-CG2 4.43Å; L213-V319 WeakPolarHBondContact O-CA 3.22Å; L213-I320 PolarHBondContact O-N 3.01Å
214R89.5Confident88.7Confident52 Ų5247.1 Ų47.120%0.19626%0.255CS..EExtended strand (participates in β ladder)trans-140.7146.2172.263.8-178.8-75-165.13111.9P200 F201 C203 I320 Y331P200-R214 VanDerWaalsContact CA-O 3.3Å; P200-R214 WeakPolarHBondContact CA-O 3.19Å; F201-R214 HydrophobicContact CD1-CG 3.75Å; F201-R214 VanDerWaalsContact CE1-CD 3.4Å; F201-R214 HydrophobicContact CE1-CG 3.35Å; F201-R214 HydrophobicContact CZ-CG 3.87Å; F201-R214 PolarHBondContact N-O 2.9Å; F201-R214 PolarHBondContact O-N 3.21Å; C203-R214 VanDerWaalsContact SG-CD 3.53Å; C203-R214 WeakPolarHBondContact SG-CG 3.35Å; R214-I320 VanDerWaalsContact CA-O 3.27Å; R214-I320 WeakPolarHBondContact CA-O 3.17Å; R214-Y331 VanDerWaalsContact NH1-CD1 3.25Å
215A87.4Confident88.9Confident7 Ų744.9 Ų44.96%0.05825%0.247CC..EExtended strand (participates in β ladder)trans-142.5156.2178.100000111.5P200 W229 V319 I320 R321 G322P200-A215 HydrophobicContact CB-CB 4.02Å; A215-W229 HydrophobicContact CB-CH2 4.27Å; A215-W229 HydrophobicContact CB-CZ3 4.17Å; A215-V319 HydrophobicContact CB-CG1 3.86Å; A215-I320 PolarHBondContact N-O 3.14Å; A215-R321 WeakPolarHBondContact O-CA 3.32Å; A215-G322 PolarHBondContact O-N 3.25Å
216A86.7Confident89.3Confident12 Ų1251.7 Ų51.710%0.09927%0.271CS..  trans-78.9157.1151.100000109.7W194 S195 R198W194-A216 HydrophobicContact CB-CB 4.45Å; S195-A216 WeakPolarHBondContact O-CB 3.48Å; R198-A216 HydrophobicContact CB-CB 3.82Å; R198-A216 WeakPolarHBondContact O-CB 3.34Å; R198-A216 PolarHBondContact O-N 3.21Å
217P87.8Confident89.6Confident17 Ų1755.5 Ų55.511%0.1129%0.287CS..  trans-74.2179.816835-31.9000109.4W194 S195 R321 G322 A324W194-P217 WeakPolarHBondContact CA-O 3.25Å; S195-P217 PolarHBondContact N-O 3.37Å; S195-P217 PolarHBondContact OG-O 2.9Å; P217-R321 HydrophobicContact CB-CG 4.1Å; P217-G322 WeakPolarHBondContact CD-O 3.5Å; P217-G322 WeakPolarHBondContact CG-O 3.47Å; P217-A324 HydrophobicContact CG-CB 3.7Å
218F89.2Confident89.9Confident31 Ų3150.3 Ų50.314%0.13626%0.26CS..BIsolated β-bridgetrans-85.6145.9167.5-58.9-81.6000110.2N193 W194 V220 T225 Q228 W229N193-F218 HydrophobicContact CB-CD1 3.78Å; N193-F218 HydrophobicContact CB-CE1 4.28Å; N193-F218 CarbonylContact O-C 3.38Å; N193-F218 WeakPolarHBondContact O-CA 3.42Å; W194-F218 AromaticContact CD1-CD1 3.58Å; W194-F218 AromaticContact CD1-CE1 3.49Å; W194-F218 VanDerWaalsContact CD1-CE1 3.49Å; W194-F218 AromaticContact CD1-CZ 4Å; W194-F218 HydrophobicContact CD2-CE1 4.36Å; W194-F218 AromaticContact CE2-CE1 3.72Å; W194-F218 HydrophobicContact CG-CD1 4.25Å; W194-F218 HydrophobicContact CG-CE1 4.21Å; W194-F218 HydrophobicContact CZ2-CE1 4.36Å; W194-F218 AromaticContact NE1-CD1 3.74Å; W194-F218 AromaticContact NE1-CE1 3.11Å; W194-F218 AromaticContact NE1-CZ 3.34Å; W194-F218 VanDerWaalsContact NE1-CZ 3.34Å; F218-V220 WeakPolarHBondContact CB-O 3.45Å; F218-T225 HydrophobicContact CB-CG2 4.08Å; F218-T225 HydrophobicContact CD1-CG2 3.37Å; F218-T225 HydrophobicContact CD2-CG2 4.48Å; F218-T225 HydrophobicContact CE1-CG2 3.79Å; F218-T225 WeakPolarHBondContact CE2-O 3.42Å; F218-T225 HydrophobicContact CG-CG2 3.74Å; F218-T225 VanDerWaalsContact CZ-O 3.32Å; F218-T225 WeakPolarHBondContact CZ-O 3.32Å; F218-Q228 HydrophobicContact CZ-CB 4.4Å; F218-W229 HydrophobicContact CE2-CB 3.93Å; F218-W229 HydrophobicContact CE2-CD2 4.39Å; F218-W229 AromaticContact CE2-CE3 3.84Å; F218-W229 HydrophobicContact CE2-CE3 3.84Å; F218-W229 HydrophobicContact CE2-CG 4.45Å; F218-W229 HydrophobicContact CZ-CB 4.18Å; F218-W229 HydrophobicContact CZ-CE3 4.19Å
219D86.8Confident90.2Very high93 Ų9349.5 Ų49.550%0.49725%0.254SS..SBendtrans-72.8-21.6173.3-71.9-32.5000112N193 S195N193-D219 PolarHBondContact O-N 2.84Å; S195-D219 WeakPolarHBondContact CA-OD1 3.3Å; S195-D219 WeakPolarHBondContact CA-OD2 3.16Å; S195-D219 WeakPolarHBondContact CB-OD1 3.21Å; S195-D219 PolarHBondContact OG-OD1 3.32Å
220V87.9Confident90.5Very high100 Ų10052.9 Ų52.961%0.60626%0.264SS*.SBendtrans-136.7127.7175.9-178.20000110F218 T225F218-V220 WeakPolarHBondContact CB-O 3.45Å; V220-T225 PolarHBondContact O-OG1 3.4Å
221D89.7Confident90.6Very high121 Ų12155.8 Ų55.865%0.64728%0.282SS*.  trans-79.8130.7166-171.823000110.1R226D221-R226 VanDerWaalsContact OD1-CD 3.28Å; D221-R226 WeakPolarHBondContact OD1-CD 3.39Å; D221-R226 VanDerWaalsContact OD1-CG 3.23Å; D221-R226 WeakPolarHBondContact OD1-CG 3.46Å; D221-R226 IonicContact OD1-NE 3.83Å
222S93.1Very high90.8Very high38 Ų3855.8 Ų55.827%0.26628%0.282SS..  trans-156.2170.4-173.670.20000109.8V224 T225 R226S222-V224 VanDerWaalsContact C-N 3.28Å; S222-V224 PolarHBondContact O-N 2.83Å; S222-V224 PolarHBondContact OG-N 3.45Å; S222-T225 PolarHBondContact N-OG1 3.48Å; S222-T225 PolarHBondContact O-OG1 3.09Å; S222-T225 PolarHBondContact OG-N 3.26Å; S222-T225 PolarHBondContact OG-OG1 2.76Å; S222-R226 WeakPolarHBondContact O-CB 3.2Å; S222-R226 VanDerWaalsContact O-CG 3.31Å; S222-R226 WeakPolarHBondContact O-CG 3.37Å; S222-R226 PolarHBondContact O-N 3.41Å; S222-R226 VanDerWaalsContact O-N 3.14Å; S222-R226 PolarHBondContact O-NE 3.28Å
223E94.4Very high91Very high116 Ų11656.1 Ų56.154%0.54228%0.283SS..Hα-helixtrans-64.7-34.8170.5-162.8-174.5154.600112.2K227E223-K227 HydrophobicContact CG-CD 4.4Å; E223-K227 WeakPolarHBondContact O-CB 3.25Å; E223-K227 WeakPolarHBondContact O-CG 3.34Å; E223-K227 PolarHBondContact O-N 2.98Å; E223-K227 WeakPolarHBondContact OE1-CE 3.37Å; E223-K227 IonicContact OE1-NZ 2.74Å; E223-K227 PolarHBondContact OE1-NZ 3.33Å
224V91.6Very high91.2Very high86 Ų8659.4 Ų59.452%0.52130%0.302SS..Hα-helixtrans-66.2-48.8179.4179.20000110.9S222 K227 Q228S222-V224 VanDerWaalsContact C-N 3.28Å; S222-V224 PolarHBondContact O-N 2.83Å; S222-V224 PolarHBondContact OG-N 3.45Å; V224-K227 PolarHBondContact O-N 2.86Å; V224-Q228 HydrophobicContact CG1-CG 4.49Å; V224-Q228 WeakPolarHBondContact O-CB 3.21Å; V224-Q228 VanDerWaalsContact O-CG 3.31Å; V224-Q228 WeakPolarHBondContact O-CG 3.31Å; V224-Q228 PolarHBondContact O-N 2.88Å
225T92Very high91.4Very high2 Ų257.3 Ų57.31%0.01230%0.295CS..Hα-helixtrans-68.3-35.7-179.747.20000112.2N193 F218 V220 S222 Q228 W229N193-T225 HydrophobicContact CB-CG2 3.63Å; F218-T225 HydrophobicContact CB-CG2 4.08Å; F218-T225 HydrophobicContact CD1-CG2 3.37Å; F218-T225 HydrophobicContact CD2-CG2 4.48Å; F218-T225 HydrophobicContact CE1-CG2 3.79Å; F218-T225 WeakPolarHBondContact CE2-O 3.42Å; F218-T225 HydrophobicContact CG-CG2 3.74Å; F218-T225 VanDerWaalsContact CZ-O 3.32Å; F218-T225 WeakPolarHBondContact CZ-O 3.32Å; V220-T225 PolarHBondContact O-OG1 3.4Å; S222-T225 PolarHBondContact N-OG1 3.48Å; S222-T225 PolarHBondContact O-OG1 3.09Å; S222-T225 PolarHBondContact OG-N 3.26Å; S222-T225 PolarHBondContact OG-OG1 2.76Å; T225-Q228 PolarHBondContact O-N 2.96Å; T225-W229 WeakPolarHBondContact O-CB 3.47Å; T225-W229 PolarHBondContact O-N 2.91Å
226R93.3Very high91.7Very high148 Ų14857.1 Ų57.156%0.55829%0.294SS*.Hα-helixtrans-66.5-37.7171.4-70.5177.9-64.3158.61.2113D221 S222 W229 H230D221-R226 VanDerWaalsContact OD1-CD 3.28Å; D221-R226 WeakPolarHBondContact OD1-CD 3.39Å; D221-R226 VanDerWaalsContact OD1-CG 3.23Å; D221-R226 WeakPolarHBondContact OD1-CG 3.46Å; D221-R226 IonicContact OD1-NE 3.83Å; S222-R226 WeakPolarHBondContact O-CB 3.2Å; S222-R226 VanDerWaalsContact O-CG 3.31Å; S222-R226 WeakPolarHBondContact O-CG 3.37Å; S222-R226 PolarHBondContact O-N 3.41Å; S222-R226 VanDerWaalsContact O-N 3.14Å; S222-R226 PolarHBondContact O-NE 3.28Å; R226-W229 PolarHBondContact O-N 3.41Å; R226-H230 WeakPolarHBondContact O-CB 3.47Å; R226-H230 PolarHBondContact O-N 3.21Å
227K92.3Very high92.1Very high125 Ų12557.1 Ų57.154%0.54329%0.294SS..Hα-helixtrans-66-44.3171.6-76.1175.4-177.4172.40112.1E223 V224 W229 H230 V231E223-K227 HydrophobicContact CG-CD 4.4Å; E223-K227 WeakPolarHBondContact O-CB 3.25Å; E223-K227 WeakPolarHBondContact O-CG 3.34Å; E223-K227 PolarHBondContact O-N 2.98Å; E223-K227 WeakPolarHBondContact OE1-CE 3.37Å; E223-K227 IonicContact OE1-NZ 2.74Å; E223-K227 PolarHBondContact OE1-NZ 3.33Å; V224-K227 PolarHBondContact O-N 2.86Å; K227-W229 VanDerWaalsContact C-N 3.29Å; K227-W229 PolarHBondContact O-N 2.8Å; K227-H230 PolarHBondContact O-N 2.71Å; K227-H230 VanDerWaalsContact O-N 3.16Å; K227-V231 PolarHBondContact O-N 2.96Å; K227-V231 VanDerWaalsContact O-N 3.13Å
228Q90.6Very high92.4Very high21 Ų2161.7 Ų61.710%0.09831%0.314CS..Hα-helixtrans-58.9-40174.8-73.4171.3-17.200111.7T189 A190 N193 F218 V224 T225T189-Q228 PolarHBondContact O-NE2 3.33Å; T189-Q228 VanDerWaalsContact O-NE2 3.13Å; A190-Q228 VanDerWaalsContact CB-CD 3.46Å; A190-Q228 HydrophobicContact CB-CG 4.22Å; N193-Q228 PolarHBondContact ND2-NE2 3.02Å; N193-Q228 PolarHBondContact ND2-OE1 2.94Å; F218-Q228 HydrophobicContact CZ-CB 4.4Å; V224-Q228 HydrophobicContact CG1-CG 4.49Å; V224-Q228 WeakPolarHBondContact O-CB 3.21Å; V224-Q228 VanDerWaalsContact O-CG 3.31Å; V224-Q228 WeakPolarHBondContact O-CG 3.31Å; V224-Q228 PolarHBondContact O-N 2.88Å; T225-Q228 PolarHBondContact O-N 2.96Å
229W92.4Very high92.2Very high23 Ų2362.1 Ų62.19%0.08732%0.316CS..Hα-helixtrans-69.4-39173.2-168.5-95.6000113.2A215 F218 T225 R226 K227 V231 F232 E233 I248 V319A215-W229 HydrophobicContact CB-CH2 4.27Å; A215-W229 HydrophobicContact CB-CZ3 4.17Å; F218-W229 HydrophobicContact CE2-CB 3.93Å; F218-W229 HydrophobicContact CE2-CD2 4.39Å; F218-W229 AromaticContact CE2-CE3 3.84Å; F218-W229 HydrophobicContact CE2-CE3 3.84Å; F218-W229 HydrophobicContact CE2-CG 4.45Å; F218-W229 HydrophobicContact CZ-CB 4.18Å; F218-W229 HydrophobicContact CZ-CE3 4.19Å; T225-W229 WeakPolarHBondContact O-CB 3.47Å; T225-W229 PolarHBondContact O-N 2.91Å; R226-W229 PolarHBondContact O-N 3.41Å; K227-W229 VanDerWaalsContact C-N 3.29Å; K227-W229 PolarHBondContact O-N 2.8Å; W229-V231 VanDerWaalsContact C-N 3.29Å; W229-V231 PolarHBondContact O-N 3.13Å; W229-F232 HydrophobicContact CD2-CD1 4.17Å; W229-F232 HydrophobicContact CE3-CD1 4.03Å; W229-F232 AromaticContact CH2-CD1 3.73Å; W229-F232 HydrophobicContact CH2-CD1 3.73Å; W229-F232 AromaticContact CH2-CE1 3.63Å; W229-F232 HydrophobicContact CH2-CE1 3.63Å; W229-F232 AromaticContact CZ2-CD1 3.83Å; W229-F232 HydrophobicContact CZ2-CD1 3.83Å; W229-F232 AromaticContact CZ2-CE1 3.92Å; W229-F232 HydrophobicContact CZ2-CE1 3.92Å; W229-F232 AromaticContact CZ3-CD1 3.82Å; W229-F232 HydrophobicContact CZ3-CD1 3.82Å; W229-F232 HydrophobicContact CZ3-CE1 4.03Å; W229-F232 VanDerWaalsContact O-CB 3.23Å; W229-F232 WeakPolarHBondContact O-CB 3.05Å; W229-F232 PolarHBondContact O-N 2.76Å; W229-F232 VanDerWaalsContact O-N 3.09Å; W229-E233 PolarHBondContact NE1-OE1 2.9Å; W229-E233 PolarHBondContact O-N 3.04Å; W229-E233 VanDerWaalsContact O-N 3.12Å; W229-I248 HydrophobicContact CH2-CD1 4.32Å; W229-I248 HydrophobicContact CZ2-CD1 3.5Å; W229-I248 VanDerWaalsContact CZ2-CD1 3.5Å; W229-I248 HydrophobicContact CZ2-CG1 3.87Å; W229-V319 HydrophobicContact CH2-CG1 4.14Å
230H93.5Very high92.4Very high89 Ų8958.1 Ų58.141%0.41229%0.294SS..Hα-helixtrans-63-37.8179.5-175.431.2000112.1R226 K227 F232 E233 V234 K245R226-H230 WeakPolarHBondContact O-CB 3.47Å; R226-H230 PolarHBondContact O-N 3.21Å; K227-H230 PolarHBondContact O-N 2.71Å; K227-H230 VanDerWaalsContact O-N 3.16Å; H230-F232 VanDerWaalsContact C-N 3.3Å; H230-F232 PolarHBondContact O-N 2.98Å; H230-E233 IonicContact ND1-OE2 3.67Å; H230-E233 PolarHBondContact O-N 2.91Å; H230-V234 VanDerWaalsContact CE1-CG2 3.45Å; H230-V234 WeakPolarHBondContact CE1-CG2 3.4Å; H230-V234 WeakPolarHBondContact O-CG2 3.49Å; H230-V234 PolarHBondContact O-N 3.3Å; H230-V234 VanDerWaalsContact O-N 3.07Å; H230-K245 PolarHBondContact ND1-NZ 3.41Å
231V93Very high92.4Very high61 Ų6157.5 Ų57.537%0.3729%0.292SS..Hα-helixtrans-60.3-39.1173.5176.60000111.6I186 K227 W229 V234 S235I186-V231 HydrophobicContact CD1-CB 4.43Å; I186-V231 HydrophobicContact CD1-CG1 3.69Å; K227-V231 PolarHBondContact O-N 2.96Å; K227-V231 VanDerWaalsContact O-N 3.13Å; W229-V231 VanDerWaalsContact C-N 3.29Å; W229-V231 PolarHBondContact O-N 3.13Å; V231-V234 PolarHBondContact O-N 3.49Å; V231-S235 PolarHBondContact O-N 3.11Å; V231-S235 PolarHBondContact O-OG 2.87Å
232F93.6Very high92.5Very high1 Ų156.9 Ų56.90%0.00429%0.288CS..Hα-helixtrans-58.1-50.9172.7176.8-151.4000112.3P179 W182 P200 L213 W229 H230 V234 S235 V236 V319P179-F232 HydrophobicContact CG-CE2 4.44Å; W182-F232 HydrophobicContact CE3-CB 4.12Å; W182-F232 AromaticContact CE3-CD2 3.73Å; W182-F232 HydrophobicContact CE3-CD2 3.73Å; W182-F232 HydrophobicContact CE3-CG 4.23Å; W182-F232 HydrophobicContact CH2-CB 4.03Å; W182-F232 HydrophobicContact CH2-CG 4.4Å; W182-F232 HydrophobicContact CZ3-CB 3.33Å; W182-F232 HydrophobicContact CZ3-CD1 4.43Å; W182-F232 AromaticContact CZ3-CD2 3.38Å; W182-F232 HydrophobicContact CZ3-CD2 3.38Å; W182-F232 HydrophobicContact CZ3-CE2 4.25Å; W182-F232 AromaticContact CZ3-CG 3.48Å; W182-F232 HydrophobicContact CZ3-CG 3.48Å; W182-F232 VanDerWaalsContact CZ3-CG 3.48Å; P200-F232 HydrophobicContact CB-CD1 3.97Å; P200-F232 HydrophobicContact CB-CD2 4.32Å; P200-F232 HydrophobicContact CB-CE1 3.44Å; P200-F232 VanDerWaalsContact CB-CE1 3.44Å; P200-F232 HydrophobicContact CB-CE2 3.83Å; P200-F232 HydrophobicContact CB-CG 4.38Å; P200-F232 HydrophobicContact CB-CZ 3.37Å; P200-F232 HydrophobicContact CG-CD1 3.86Å; P200-F232 HydrophobicContact CG-CD2 4.15Å; P200-F232 HydrophobicContact CG-CE1 3.88Å; P200-F232 HydrophobicContact CG-CE2 4.16Å; P200-F232 HydrophobicContact CG-CG 3.99Å; P200-F232 HydrophobicContact CG-CZ 4.05Å; L213-F232 HydrophobicContact CB-CZ 4.39Å; L213-F232 HydrophobicContact CD2-CE2 3.9Å; L213-F232 HydrophobicContact CD2-CZ 3.95Å; W229-F232 HydrophobicContact CD2-CD1 4.17Å; W229-F232 HydrophobicContact CE3-CD1 4.03Å; W229-F232 AromaticContact CH2-CD1 3.73Å; W229-F232 HydrophobicContact CH2-CD1 3.73Å; W229-F232 AromaticContact CH2-CE1 3.63Å; W229-F232 HydrophobicContact CH2-CE1 3.63Å; W229-F232 AromaticContact CZ2-CD1 3.83Å; W229-F232 HydrophobicContact CZ2-CD1 3.83Å; W229-F232 AromaticContact CZ2-CE1 3.92Å; W229-F232 HydrophobicContact CZ2-CE1 3.92Å; W229-F232 AromaticContact CZ3-CD1 3.82Å; W229-F232 HydrophobicContact CZ3-CD1 3.82Å; W229-F232 HydrophobicContact CZ3-CE1 4.03Å; W229-F232 VanDerWaalsContact O-CB 3.23Å; W229-F232 WeakPolarHBondContact O-CB 3.05Å; W229-F232 PolarHBondContact O-N 2.76Å; W229-F232 VanDerWaalsContact O-N 3.09Å; H230-F232 VanDerWaalsContact C-N 3.3Å; H230-F232 PolarHBondContact O-N 2.98Å; F232-V234 VanDerWaalsContact C-N 3.26Å; F232-V234 PolarHBondContact O-N 2.9Å; F232-S235 PolarHBondContact O-N 3.12Å; F232-V236 HydrophobicContact CD2-CG2 3.61Å; F232-V236 HydrophobicContact CE2-CG2 3.27Å; F232-V236 HydrophobicContact CZ-CG2 4.11Å; F232-V236 PolarHBondContact O-N 2.92Å; F232-V319 HydrophobicContact CE1-CG1 4.18Å; F232-V319 HydrophobicContact CE1-CG2 3.63Å; F232-V319 HydrophobicContact CZ-CG1 4.47Å; F232-V319 HydrophobicContact CZ-CG2 3.75Å
233E95.2Very high92.5Very high36 Ų3658.7 Ų58.717%0.16831%0.305CS..Hα-helixtrans-59.7-39.6-177.6-66176.6162.400111.8W229 H230 A237 K245 P246W229-E233 PolarHBondContact NE1-OE1 2.9Å; W229-E233 PolarHBondContact O-N 3.04Å; W229-E233 VanDerWaalsContact O-N 3.12Å; H230-E233 IonicContact ND1-OE2 3.67Å; H230-E233 PolarHBondContact O-N 2.91Å; E233-A237 WeakPolarHBondContact O-CB 3.4Å; E233-A237 PolarHBondContact O-N 3.16Å; E233-K245 HydrophobicContact CB-CD 4.07Å; E233-K245 HydrophobicContact CB-CG 4.13Å; E233-K245 WeakPolarHBondContact OE2-CD 3.43Å; E233-K245 WeakPolarHBondContact OE2-CE 3.45Å; E233-K245 IonicContact OE2-NZ 2.8Å; E233-K245 PolarHBondContact OE2-NZ 3.21Å; E233-P246 HydrophobicContact CG-CG 4.45Å
234V95.3Very high92.5Very high69 Ų6956.6 Ų56.642%0.41829%0.294SS..Hα-helixtrans-65.8-51175.7173.50000110.5H230 V231 F232 V236 A237 E238H230-V234 VanDerWaalsContact CE1-CG2 3.45Å; H230-V234 WeakPolarHBondContact CE1-CG2 3.4Å; H230-V234 WeakPolarHBondContact O-CG2 3.49Å; H230-V234 PolarHBondContact O-N 3.3Å; H230-V234 VanDerWaalsContact O-N 3.07Å; V231-V234 PolarHBondContact O-N 3.49Å; F232-V234 VanDerWaalsContact C-N 3.26Å; F232-V234 PolarHBondContact O-N 2.9Å; V234-V236 PolarHBondContact O-N 2.92Å; V234-A237 PolarHBondContact O-N 2.91Å; V234-E238 WeakPolarHBondContact O-CB 3.39Å; V234-E238 PolarHBondContact O-N 3.31Å
235S94.4Very high92.6Very high7 Ų757 Ų575%0.04929%0.289CS..Hα-helixtrans-63.1-23.1178.7-710000114.2P179 S181 V231 F232 F239P179-S235 WeakPolarHBondContact CB-O 3.18Å; S181-S235 WeakPolarHBondContact OG-CA 3.4Å; S181-S235 VanDerWaalsContact OG-CB 3.24Å; S181-S235 WeakPolarHBondContact OG-CB 3.23Å; S181-S235 PolarHBondContact OG-OG 2.9Å; V231-S235 PolarHBondContact O-N 3.11Å; V231-S235 PolarHBondContact O-OG 2.87Å; F232-S235 PolarHBondContact O-N 3.12Å; S235-F239 WeakPolarHBondContact O-CD2 3.42Å
236V94.1Very high92.8Very high4 Ų457.5 Ų57.52%0.02429%0.292CS..Hα-helixtrans-83.5-38.3170.3173.60000111.8P179 L213 F232 V234 H240 P246P179-V236 HydrophobicContact CG-CG2 3.77Å; L213-V236 HydrophobicContact CD1-CG1 4.43Å; L213-V236 HydrophobicContact CD1-CG2 4.44Å; L213-V236 HydrophobicContact CD2-CG2 4.39Å; F232-V236 HydrophobicContact CD2-CG2 3.61Å; F232-V236 HydrophobicContact CE2-CG2 3.27Å; F232-V236 HydrophobicContact CZ-CG2 4.11Å; F232-V236 PolarHBondContact O-N 2.92Å; V234-V236 PolarHBondContact O-N 2.92Å; V236-H240 PolarHBondContact O-N 2.96Å; V236-P246 HydrophobicContact CB-CG 4.09Å; V236-P246 HydrophobicContact CG1-CB 4.04Å; V236-P246 HydrophobicContact CG1-CG 3.98Å
237A94.4Very high92.9Very high12 Ų1251.8 Ų51.810%0.09927%0.274CS..Hα-helixtrans-66.7-38178.900000112.6E233 V234 F239 H240 A243 K244E233-A237 WeakPolarHBondContact O-CB 3.4Å; E233-A237 PolarHBondContact O-N 3.16Å; V234-A237 PolarHBondContact O-N 2.91Å; A237-F239 PolarHBondContact O-N 2.74Å; A237-H240 WeakPolarHBondContact O-CB 3.43Å; A237-H240 PolarHBondContact O-N 3.05Å; A237-A243 WeakPolarHBondContact O-CA 3.16Å; A237-K244 WeakPolarHBondContact CA-O 3.47Å
238E92.7Very high93Very high113 Ų11348.4 Ų48.453%0.52826%0.261SS..THydrogen-bonded Turntrans-52.5-37.4179.8-175.6-178.7170.200113.3S181 V234S181-E238 WeakPolarHBondContact CB-OE2 3.2Å; S181-E238 PolarHBondContact OG-OE2 2.74Å; V234-E238 WeakPolarHBondContact O-CB 3.39Å; V234-E238 PolarHBondContact O-N 3.31Å
239F85.6Confident93Very high40 Ų4048.1 Ų48.118%0.17526%0.261CS..THydrogen-bonded Turntrans-10511.1-180-56.9-76000113.4H155 H156 L180 S235 A237H155-F239 WeakPolarHBondContact O-CD1 3.26Å; H155-F239 WeakPolarHBondContact O-CE1 3.37Å; H156-F239 HydrophobicContact CB-CB 3.77Å; H156-F239 HydrophobicContact CB-CD1 4.36Å; H156-F239 HydrophobicContact CB-CG 4.16Å; H156-F239 PolarHBondContact CE1-O 2.81Å; H156-F239 PolarHBondContact ND1-O 3.49Å; L180-F239 HydrophobicContact CB-CE1 4.44Å; L180-F239 HydrophobicContact CB-CE2 3.97Å; L180-F239 HydrophobicContact CB-CZ 3.88Å; L180-F239 HydrophobicContact CD2-CE1 4.27Å; L180-F239 HydrophobicContact CD2-CZ 4.18Å; L180-F239 HydrophobicContact CG-CZ 4.34Å; S235-F239 WeakPolarHBondContact O-CD2 3.42Å; A237-F239 PolarHBondContact O-N 2.74Å
240H90.4Very high92.8Very high9 Ų951.1 Ų51.14%0.04228%0.276CS..SBendtrans-88.5129172.9-169.3-89.1000109.7C210 V236 A237 L242 A243 K315C210-H240 PolarHBondContact SG-NE2 2.9Å; V236-H240 PolarHBondContact O-N 2.96Å; A237-H240 WeakPolarHBondContact O-CB 3.43Å; A237-H240 PolarHBondContact O-N 3.05Å; H240-L242 PolarHBondContact ND1-N 3.37Å; H240-L242 PolarHBondContact O-N 2.76Å; H240-A243 PolarHBondContact O-N 2.87Å; H240-K315 PolarHBondContact CE1-O 3.5Å; H240-K315 PolarHBondContact NE2-O 3.29Å
241P88.8Confident92.4Very high87 Ų8748.1 Ų48.157%0.56526%0.264SS*.THydrogen-bonded Turntrans-59.4-14-174.7-28.937.5000116.5
242L91.7Very high92Very high107 Ų10747 Ų4756%0.5626%0.257SS*.THydrogen-bonded Turntrans-118.517.6176.5-59.6176.8000113.3H240 K244H240-L242 PolarHBondContact ND1-N 3.37Å; H240-L242 PolarHBondContact O-N 2.76Å; L242-K244 HydrophobicContact CB-CG 4.07Å; L242-K244 PolarHBondContact O-N 3.32Å
243A93.2Very high91.6Very high76 Ų7647.8 Ų47.863%0.62826%0.263SS*.  trans50.625.7-177.600000115.4A237 H240A237-A243 WeakPolarHBondContact O-CA 3.16Å; H240-A243 PolarHBondContact O-N 2.87Å
244K93.8Very high91.1Very high72 Ų7252.5 Ų52.531%0.31328%0.282SS..PPolyproline II helixtrans-81132.5-176.9-64.6-169.2-172.1-179.40110.5A237 L242 A314 K315 M316A237-K244 WeakPolarHBondContact CA-O 3.47Å; L242-K244 HydrophobicContact CB-CG 4.07Å; L242-K244 PolarHBondContact O-N 3.32Å; K244-A314 PolarHBondContact NZ-O 3.28Å; K244-K315 WeakPolarHBondContact CD-O 3.47Å; K244-M316 HydrophobicContact CD-CG 3.58Å; K244-M316 HydrophobicContact CD-SD 4.34Å
245K95.1Very high90.4Very high96 Ų9650.2 Ų50.242%0.41727%0.271SS..PPolyproline II helixtrans-57.3148.2164.1-70.2-172168.9-164.10110.6H230 E233 M316H230-K245 PolarHBondContact ND1-NZ 3.41Å; E233-K245 HydrophobicContact CB-CD 4.07Å; E233-K245 HydrophobicContact CB-CG 4.13Å; E233-K245 WeakPolarHBondContact OE2-CD 3.43Å; E233-K245 WeakPolarHBondContact OE2-CE 3.45Å; E233-K245 IonicContact OE2-NZ 2.8Å; E233-K245 PolarHBondContact OE2-NZ 3.21Å; K245-M316 WeakPolarHBondContact O-CE 3.49Å
246P95.7Very high90Very high11 Ų1157.9 Ų57.97%0.07130%0.303CS..PPolyproline II helixtrans-68.1150.2172.329.9-34.4000111.5E233 V236 S317 V319E233-P246 HydrophobicContact CG-CG 4.45Å; V236-P246 HydrophobicContact CB-CG 4.09Å; V236-P246 HydrophobicContact CG1-CB 4.04Å; V236-P246 HydrophobicContact CG1-CG 3.98Å; P246-S317 CarbonylContact C-O 3.59Å; P246-S317 WeakPolarHBondContact CA-O 3.4Å; P246-V319 HydrophobicContact CB-CG2 3.95Å; P246-V319 HydrophobicContact CG-CG2 4.28Å
247T96.1Very high89.8Confident29 Ų2960.1 Ų60.118%0.17831%0.313CS..EExtended strand (participates in β ladder)trans-92.7157.6168-170.80000111.1Y310 S317 V318 V319T247-Y310 HydrophobicContact CG2-CD1 3.95Å; T247-Y310 HydrophobicContact CG2-CD2 3.65Å; T247-Y310 HydrophobicContact CG2-CE1 4.37Å; T247-Y310 HydrophobicContact CG2-CE2 4.09Å; T247-Y310 HydrophobicContact CG2-CG 3.6Å; T247-S317 PolarHBondContact N-O 2.88Å; T247-V318 HydrophobicContact CG2-CB 4.49Å; T247-V318 HydrophobicContact CG2-CG2 3.89Å; T247-V318 CarbonylContact O-C 3.54Å; T247-V318 WeakPolarHBondContact O-CA 3.34Å; T247-V319 PolarHBondContact O-N 2.78Å
248I94.1Very high89.5Confident53 Ų5360.1 Ų60.127%0.27231%0.312SS..EExtended strand (participates in β ladder)trans-105.9131177.9-57.8177.4000109.1W229 E250 R321W229-I248 HydrophobicContact CH2-CD1 4.32Å; W229-I248 HydrophobicContact CZ2-CD1 3.5Å; W229-I248 VanDerWaalsContact CZ2-CD1 3.5Å; W229-I248 HydrophobicContact CZ2-CG1 3.87Å; I248-E250 WeakPolarHBondContact CG2-OE1 3.22Å; I248-R321 HydrophobicContact CG2-CB 3.77Å
249V90.6Very high89.3Confident16 Ų1656.8 Ų56.810%0.09730%0.304CS..EExtended strand (participates in β ladder)trans-116.9116.2167.4178.20000108A303 Y310 V318 V319 I320 R321V249-A303 HydrophobicContact CG1-CB 4.14Å; V249-Y310 HydrophobicContact CG2-CD2 3.95Å; V249-Y310 HydrophobicContact CG2-CE2 3.94Å; V249-V318 HydrophobicContact CB-CG1 4.22Å; V249-V318 HydrophobicContact CG2-CG1 3.8Å; V249-V319 PolarHBondContact N-O 3.25Å; V249-I320 WeakPolarHBondContact O-CA 3.48Å; V249-R321 PolarHBondContact O-N 3.1Å
250E88.7Confident89.7Confident85 Ų8558.2 Ų58.240%0.39732%0.319SS..EExtended strand (participates in β ladder)trans-70.2142.9175.7-61-57.8152.500111I248 P252 R321I248-E250 WeakPolarHBondContact CG2-OE1 3.22Å; E250-P252 WeakPolarHBondContact O-CD 3.35Å; E250-R321 IonicContact OE1-CZ 3.68Å; E250-R321 IonicContact OE1-NE 2.7Å; E250-R321 PolarHBondContact OE1-NE 3.47Å; E250-R321 IonicContact OE1-NH2 2.59Å; E250-R321 PolarHBondContact OE1-NH2 3.17Å; E250-R321 IonicContact OE2-NE 3.26Å
251V84.3Confident89.9Confident27 Ų2758 Ų5816%0.16432%0.319CS..  trans-64.2116.7168.3171.70000108.4V253 I320 R321 F332V251-V253 HydrophobicContact CG1-CG2 4.33Å; V251-V253 PolarHBondContact O-N 3.28Å; V251-V253 VanDerWaalsContact O-N 3.09Å; V251-I320 HydrophobicContact CG2-CG2 3.59Å; V251-R321 WeakPolarHBondContact CG2-O 3.35Å; V251-R321 PolarHBondContact N-O 3.01Å; V251-F332 HydrophobicContact CB-CE2 4.29Å; V251-F332 HydrophobicContact CG1-CE2 3.73Å; V251-F332 HydrophobicContact CG1-CZ 4.07Å; V251-F332 HydrophobicContact CG2-CD2 4.28Å; V251-F332 HydrophobicContact CG2-CE2 3.58Å; V251-F332 HydrophobicContact CG2-CZ 4.35Å
252P85Confident90.1Very high36 Ų3656.5 Ų56.523%0.23430%0.304CS..SBendtrans-80.23.5-163.333.4-39.2000114E250 R299 A303E250-P252 WeakPolarHBondContact O-CD 3.35Å; P252-R299 HydrophobicContact CB-CB 4.29Å; P252-R299 HydrophobicContact CG-CB 4.47Å; P252-R299 VanDerWaalsContact CG-O 3.29Å; P252-R299 WeakPolarHBondContact CG-O 3.48Å; P252-R299 PolarHBondContact O-NE 2.66Å; P252-R299 PolarHBondContact O-NH2 2.89Å; P252-A303 HydrophobicContact CB-CB 4.37Å; P252-A303 HydrophobicContact CG-CB 3.72Å
253V85.2Confident90.1Very high19 Ų1954.7 Ų54.712%0.11529%0.292CS..  trans-138.3148.3-174.1-610000111.5V251 V258 L296 R299V251-V253 HydrophobicContact CG1-CG2 4.33Å; V251-V253 PolarHBondContact O-N 3.28Å; V251-V253 VanDerWaalsContact O-N 3.09Å; V253-V258 HydrophobicContact CB-CG2 4.18Å; V253-V258 HydrophobicContact CG2-CG2 4.03Å; V253-L296 HydrophobicContact CB-CD2 4.16Å; V253-L296 HydrophobicContact CG1-CB 4.22Å; V253-L296 HydrophobicContact CG1-CD2 3.58Å; V253-L296 HydrophobicContact CG1-CG 4.49Å; V253-R299 HydrophobicContact CG1-CB 4.26Å
254K83.7Confident90.2Very high134 Ų13453 Ų5358%0.58328%0.279SS*.  trans-103.3145.9176.3-54.2-174.6-161.883.90110.7K256 E257 V258K254-K256 PolarHBondContact O-N 2.98Å; K254-K256 VanDerWaalsContact O-N 3.12Å; K254-E257 HydrophobicContact CB-CG 4.18Å; K254-E257 VanDerWaalsContact CD-OE1 3.26Å; K254-E257 WeakPolarHBondContact CD-OE1 3.35Å; K254-E257 WeakPolarHBondContact CE-OE1 3.32Å; K254-E257 WeakPolarHBondContact CG-OE1 3.3Å; K254-E257 IonicContact NZ-OE1 3.63Å; K254-E257 PolarHBondContact NZ-OE1 3.49Å; K254-E257 WeakPolarHBondContact O-CB 3.14Å; K254-E257 PolarHBondContact O-N 3.42Å; K254-V258 PolarHBondContact O-N 3.01Å; K254-V258 VanDerWaalsContact O-N 3.11Å
255A80.2Confident90.2Very high21 Ų2150.5 Ų50.517%0.17427%0.269CS..Hα-helixtrans-54.4-35179.400000113.8A259 C327 V330 L357A255-A259 WeakPolarHBondContact O-CB 3.22Å; A255-A259 PolarHBondContact O-N 3Å; A255-C327 HydrophobicContact CB-CB 4.1Å; A255-V330 HydrophobicContact CB-CG2 4.36Å; A255-L357 HydrophobicContact CB-CD2 3.8Å
256K86.5Confident90Very high168 Ų16846.6 Ų46.673%0.7325%0.251SS*.Hα-helixtrans-66.8-39.5174-173.3179.8177.5-175.90112.8K254 A259 S260K254-K256 PolarHBondContact O-N 2.98Å; K254-K256 VanDerWaalsContact O-N 3.12Å; K256-A259 PolarHBondContact O-N 3.19Å; K256-S260 PolarHBondContact O-N 2.76Å; K256-S260 PolarHBondContact O-OG 2.86Å
257E89.7Confident89.8Confident51 Ų5149.8 Ų49.824%0.23827%0.273CS..Hα-helixtrans-62.9-46.4177.2-67.8165.3-143.700110K254 A259 S260 A261 L296 R299K254-E257 HydrophobicContact CB-CG 4.18Å; K254-E257 VanDerWaalsContact CD-OE1 3.26Å; K254-E257 WeakPolarHBondContact CD-OE1 3.35Å; K254-E257 WeakPolarHBondContact CE-OE1 3.32Å; K254-E257 WeakPolarHBondContact CG-OE1 3.3Å; K254-E257 IonicContact NZ-OE1 3.63Å; K254-E257 PolarHBondContact NZ-OE1 3.49Å; K254-E257 WeakPolarHBondContact O-CB 3.14Å; K254-E257 PolarHBondContact O-N 3.42Å; E257-A259 PolarHBondContact O-N 3.4Å; E257-S260 PolarHBondContact O-N 2.9Å; E257-A261 WeakPolarHBondContact O-CB 3.26Å; E257-A261 PolarHBondContact O-N 2.87Å; E257-L296 HydrophobicContact CB-CD1 4.34Å; E257-L296 HydrophobicContact CB-CD2 4.12Å; E257-R299 IonicContact OE2-CZ 2.72Å; E257-R299 IonicContact OE2-NH1 2.69Å; E257-R299 PolarHBondContact OE2-NH1 2.99Å; E257-R299 IonicContact OE2-NH2 3.56Å; E257-R299 PolarHBondContact OE2-NH2 3.44Å
258V89.2Confident89.6Confident13 Ų1349.9 Ų49.98%0.07927%0.273CS..Hα-helixtrans-63-40.9176.4-175.70000111.7V253 K254 F262 W293 L296 A355 L357V253-V258 HydrophobicContact CB-CG2 4.18Å; V253-V258 HydrophobicContact CG2-CG2 4.03Å; K254-V258 PolarHBondContact O-N 3.01Å; K254-V258 VanDerWaalsContact O-N 3.11Å; V258-F262 VanDerWaalsContact O-CB 3.22Å; V258-F262 WeakPolarHBondContact O-CB 3.38Å; V258-F262 PolarHBondContact O-N 3.44Å; V258-W293 HydrophobicContact CG1-CH2 4.4Å; V258-W293 HydrophobicContact CG1-CZ3 3.87Å; V258-L296 HydrophobicContact CG2-CD1 4.27Å; V258-A355 HydrophobicContact CG1-CB 4.05Å; V258-L357 HydrophobicContact CB-CD1 4.1Å; V258-L357 HydrophobicContact CG1-CD1 3.82Å
259A88.1Confident89.3Confident42 Ų4249.5 Ų49.535%0.34727%0.274SS..Hα-helixtrans-63.8-46.517800000112.5A255 K256 E257 E263 L357A255-A259 WeakPolarHBondContact O-CB 3.22Å; A255-A259 PolarHBondContact O-N 3Å; K256-A259 PolarHBondContact O-N 3.19Å; E257-A259 PolarHBondContact O-N 3.4Å; A259-E263 WeakPolarHBondContact O-CB 3.37Å; A259-E263 PolarHBondContact O-N 2.93Å; A259-L357 HydrophobicContact CB-CD1 3.83Å
260S94.3Very high89.1Confident71 Ų7149.8 Ų49.850%0.49728%0.277SS..Hα-helixtrans-67.6-40.1178.9-67.60000112.5K256 E257 E263 A264K256-S260 PolarHBondContact O-N 2.76Å; K256-S260 PolarHBondContact O-OG 2.86Å; E257-S260 PolarHBondContact O-N 2.9Å; S260-E263 PolarHBondContact O-N 2.99Å; S260-A264 WeakPolarHBondContact O-CB 3.34Å; S260-A264 PolarHBondContact O-N 3.48Å
261A95Very high88.8Confident5 Ų548.1 Ų48.14%0.04127%0.273CS..Hα-helixtrans-68-40.3176.700000112.5E257 A264 L265 T291 W293 L296E257-A261 WeakPolarHBondContact O-CB 3.26Å; E257-A261 PolarHBondContact O-N 2.87Å; A261-A264 PolarHBondContact O-N 2.78Å; A261-L265 WeakPolarHBondContact O-CB 3.42Å; A261-L265 PolarHBondContact O-N 3.02Å; A261-T291 WeakPolarHBondContact CA-O 3.49Å; A261-T291 WeakPolarHBondContact CB-O 3.2Å; A261-W293 HydrophobicContact CB-CB 4.41Å; A261-W293 HydrophobicContact CB-CE3 4.08Å; A261-L296 HydrophobicContact CB-CD1 3.48Å; A261-L296 VanDerWaalsContact CB-CD1 3.48Å
262F92Very high88.5Confident55 Ų5553.1 Ų53.124%0.24129%0.294CS..Hα-helixtrans-60.5-45.6173.5178.8-94.7000111.5F82 V258 L265 R266 W293F82-F262 HydrophobicContact CE1-CE2 4.37Å; F82-F262 HydrophobicContact CE2-CE2 4.18Å; F82-F262 HydrophobicContact CZ-CD2 4.22Å; F82-F262 AromaticContact CZ-CE2 3.64Å; F82-F262 HydrophobicContact CZ-CE2 3.64Å; F82-F262 HydrophobicContact CZ-CZ 4.24Å; V258-F262 VanDerWaalsContact O-CB 3.22Å; V258-F262 WeakPolarHBondContact O-CB 3.38Å; V258-F262 PolarHBondContact O-N 3.44Å; F262-L265 PolarHBondContact O-N 3.37Å; F262-R266 HydrophobicContact CE1-CB 4.47Å; F262-R266 VanDerWaalsContact O-CB 3.32Å; F262-R266 WeakPolarHBondContact O-CB 3.42Å; F262-R266 PolarHBondContact O-N 2.95Å; F262-W293 HydrophobicContact CB-CE3 4.24Å; F262-W293 HydrophobicContact CB-CH2 4.48Å; F262-W293 HydrophobicContact CB-CZ3 3.76Å; F262-W293 HydrophobicContact CD2-CH2 4.1Å; F262-W293 HydrophobicContact CD2-CZ3 4.17Å; F262-W293 HydrophobicContact CG-CZ3 4.48Å
263E92.6Very high88.3Confident68 Ų6854.9 Ų54.932%0.31830%0.304SS..Hα-helixtrans-68.7-37.8-179-176.856.9-161.200112.3H46 A259 S260 R266 S267H46-E263 IonicContact CE1-OE2 3.16Å; H46-E263 PolarHBondContact CE1-OE2 3.44Å; H46-E263 VanDerWaalsContact CE1-OE2 3.26Å; H46-E263 IonicContact NE2-OE1 3.76Å; H46-E263 IonicContact NE2-OE2 3.28Å; H46-E263 PolarHBondContact NE2-OE2 2.99Å; A259-E263 WeakPolarHBondContact O-CB 3.37Å; A259-E263 PolarHBondContact O-N 2.93Å; S260-E263 PolarHBondContact O-N 2.99Å; E263-R266 PolarHBondContact O-N 2.64Å; E263-R266 IonicContact OE1-CZ 3.01Å; E263-R266 IonicContact OE1-NE 3.53Å; E263-R266 PolarHBondContact OE1-NE 3.11Å; E263-R266 IonicContact OE1-NH2 2.77Å; E263-R266 PolarHBondContact OE1-NH2 2.63Å; E263-R266 IonicContact OE2-CZ 2.6Å; E263-R266 IonicContact OE2-NE 3.71Å; E263-R266 PolarHBondContact OE2-NE 3.39Å; E263-R266 IonicContact OE2-NH2 3.62Å; E263-S267 WeakPolarHBondContact O-CB 3.46Å; E263-S267 PolarHBondContact O-N 3.02Å
264A94.5Very high88.2Confident42 Ų4258.7 Ų58.735%0.34733%0.33SS..Hα-helixtrans-60.2-47.6171.500000111.5S260 A261 R266 S267 L268 T291S260-A264 WeakPolarHBondContact O-CB 3.34Å; S260-A264 PolarHBondContact O-N 3.48Å; A261-A264 PolarHBondContact O-N 2.78Å; A264-R266 PolarHBondContact O-N 2.8Å; A264-S267 PolarHBondContact O-N 3.34Å; A264-L268 WeakPolarHBondContact O-CB 3.35Å; A264-L268 PolarHBondContact O-N 3.02Å; A264-T291 HydrophobicContact CB-CG2 4.05Å
265L94.2Very high88.4Confident19 Ų1954.4 Ų54.410%0.09932%0.323CS..Hα-helixtrans-64.5-37.9175.7-175.165.6000112.3F82 A261 F262 L268 C269 V288 T291 W293F82-L265 HydrophobicContact CE1-CB 4.39Å; F82-L265 HydrophobicContact CE1-CD2 4.09Å; F82-L265 HydrophobicContact CE1-CG 3.89Å; F82-L265 HydrophobicContact CZ-CD2 4.14Å; F82-L265 HydrophobicContact CZ-CG 4.44Å; A261-L265 WeakPolarHBondContact O-CB 3.42Å; A261-L265 PolarHBondContact O-N 3.02Å; F262-L265 PolarHBondContact O-N 3.37Å; L265-L268 PolarHBondContact O-N 3.36Å; L265-C269 PolarHBondContact O-N 3.02Å; L265-C269 PolarHBondContact O-SG 2.94Å; L265-V288 HydrophobicContact CD1-CG2 4.48Å; L265-T291 HydrophobicContact CB-CG2 4.18Å; L265-T291 HydrophobicContact CD1-CG2 4.37Å; L265-W293 HydrophobicContact CD2-CB 4.22Å; L265-W293 HydrophobicContact CD2-CD2 4.17Å; L265-W293 HydrophobicContact CD2-CG 3.74Å
266R91.1Very high88.7Confident14 Ų1455.1 Ų55.15%0.05333%0.329CS..Hα-helixtrans-63.7-43.3176.6-166.5-159.562.868.8-7.8111.4H46 F82 F262 E263 A264 S270H46-R266 PolarHBondContact CD2-NE 3.01Å; H46-R266 VanDerWaalsContact CD2-NE 3.3Å; H46-R266 PolarHBondContact CD2-NH2 3.22Å; H46-R266 PolarHBondContact NE2-NE 2.79Å; H46-R266 PolarHBondContact NE2-NH2 2.92Å; F82-R266 HydrophobicContact CD1-CB 4.34Å; F82-R266 HydrophobicContact CD1-CG 4.39Å; F82-R266 HydrophobicContact CE1-CB 4.2Å; F262-R266 HydrophobicContact CE1-CB 4.47Å; F262-R266 VanDerWaalsContact O-CB 3.32Å; F262-R266 WeakPolarHBondContact O-CB 3.42Å; F262-R266 PolarHBondContact O-N 2.95Å; E263-R266 PolarHBondContact O-N 2.64Å; E263-R266 IonicContact OE1-CZ 3.01Å; E263-R266 IonicContact OE1-NE 3.53Å; E263-R266 PolarHBondContact OE1-NE 3.11Å; E263-R266 IonicContact OE1-NH2 2.77Å; E263-R266 PolarHBondContact OE1-NH2 2.63Å; E263-R266 IonicContact OE2-CZ 2.6Å; E263-R266 IonicContact OE2-NE 3.71Å; E263-R266 PolarHBondContact OE2-NE 3.39Å; E263-R266 IonicContact OE2-NH2 3.62Å; A264-R266 PolarHBondContact O-N 2.8Å; R266-S270 PolarHBondContact NH1-OG 2.93Å; R266-S270 PolarHBondContact O-N 3.05Å; R266-S270 PolarHBondContact O-OG 3.41Å
267S90.2Very high88.9Confident77 Ų7751.4 Ų51.454%0.53831%0.313SS..Hα-helixtrans-61.1-47.5173.2-169.10000111E263 A264 C269 S270E263-S267 WeakPolarHBondContact O-CB 3.46Å; E263-S267 PolarHBondContact O-N 3.02Å; A264-S267 PolarHBondContact O-N 3.34Å; S267-C269 VanDerWaalsContact C-N 3.33Å; S267-C269 PolarHBondContact O-N 3.27Å; S267-S270 WeakPolarHBondContact O-CB 3.49Å; S267-S270 PolarHBondContact O-N 3.26Å
268L91.7Very high89Confident32 Ų3257 Ų5717%0.16833%0.332CS..Hα-helixtrans-59.1-40.4-179.4-167.564.9000113.2A264 L265 S270 L280 W284 E287 V288 T291A264-L268 WeakPolarHBondContact O-CB 3.35Å; A264-L268 PolarHBondContact O-N 3.02Å; L265-L268 PolarHBondContact O-N 3.36Å; L268-S270 VanDerWaalsContact C-N 3.29Å; L268-S270 PolarHBondContact O-N 3.44Å; L268-L280 HydrophobicContact CD1-CD1 3.55Å; L268-L280 HydrophobicContact CD1-CD2 4.11Å; L268-L280 HydrophobicContact CG-CD1 4.2Å; L268-L280 HydrophobicContact CG-CD2 4.27Å; L268-L280 WeakPolarHBondContact O-CD2 3.36Å; L268-W284 HydrophobicContact CD2-CZ3 4.17Å; L268-W284 HydrophobicContact CG-CZ3 4.21Å; L268-E287 HydrophobicContact CD1-CB 3.81Å; L268-E287 HydrophobicContact CD2-CB 3.92Å; L268-V288 HydrophobicContact CD2-CB 4.44Å; L268-V288 HydrophobicContact CD2-CG2 3.74Å; L268-T291 HydrophobicContact CD2-CG2 4.09Å
269C89.1Confident89.1Confident45 Ų4562.6 Ų62.630%0.30436%0.359SS..Hα-helixtrans-74-13.9175.7-65.10000114.2F82 L265 S267 V271F82-C269 HydrophobicContact CB-CB 4.12Å; F82-C269 HydrophobicContact CD1-CB 3.9Å; F82-C269 HydrophobicContact CG-CB 4.43Å; L265-C269 PolarHBondContact O-N 3.02Å; L265-C269 PolarHBondContact O-SG 2.94Å; S267-C269 VanDerWaalsContact C-N 3.33Å; S267-C269 PolarHBondContact O-N 3.27Å; C269-V271 PolarHBondContact O-N 3.45Å
270S86Confident89.3Confident21 Ų2162 Ų6215%0.14735%0.35CS..  trans-83.548.2-173.3-62.90000113R266 S267 L268 E272R266-S270 PolarHBondContact NH1-OG 2.93Å; R266-S270 PolarHBondContact O-N 3.05Å; R266-S270 PolarHBondContact O-OG 3.41Å; S267-S270 WeakPolarHBondContact O-CB 3.49Å; S267-S270 PolarHBondContact O-N 3.26Å; L268-S270 VanDerWaalsContact C-N 3.29Å; L268-S270 PolarHBondContact O-N 3.44Å; S270-E272 PolarHBondContact O-N 2.88Å
271V83.1Confident89.2Confident51 Ų5162.5 Ų62.531%0.30935%0.347SS..  trans-73.2124.9-170.6-171.40000112.6C269 A276 F277 L280C269-V271 PolarHBondContact O-N 3.45Å; V271-A276 HydrophobicContact CG1-CB 3.84Å; V271-F277 HydrophobicContact CG1-CB 3.9Å; V271-L280 HydrophobicContact CG2-CD2 3.63Å
272E76.3Confident89.2Confident131 Ų13166.7 Ų66.761%0.61238%0.376SS*.  trans-86.4-26.1-171.1-54.5-167.9148.900115.6K76 S270K76-E272 WeakPolarHBondContact CE-OE1 3.5Å; K76-E272 IonicContact NZ-OE1 2.77Å; K76-E272 PolarHBondContact NZ-OE1 3Å; S270-E272 PolarHBondContact O-N 2.88Å
273T81.3Confident89.3Confident73 Ų7370 Ų7045%0.44839%0.39SS..SBendtrans-141152.3-173.868.20000112.4G275 A276 F277T273-G275 PolarHBondContact O-N 2.87Å; T273-A276 PolarHBondContact O-N 3.42Å; T273-A276 VanDerWaalsContact O-N 3.15Å; T273-A276 WeakPolarHBondContact OG1-CB 3.08Å; T273-A276 PolarHBondContact OG1-N 3.44Å; T273-A276 VanDerWaalsContact OG1-N 3.1Å; T273-F277 PolarHBondContact O-N 3.12Å
274P83.2Confident89.4Confident100 Ų10071.6 Ų71.665%0.64939%0.394SS*.Hα-helixtrans-58.4-32.2173.8-25.635.1000113.6F277 W278P274-F277 WeakPolarHBondContact O-CB 3.4Å; P274-F277 PolarHBondContact O-N 3.06Å; P274-W278 PolarHBondContact O-N 3.33Å
275G87.4Confident89.4Confident44 Ų4475.4 Ų75.445%0.45441%0.408SS..Hα-helixtrans-66.8-44.9174.900000112.4T273 F277 W278 M279T273-G275 PolarHBondContact O-N 2.87Å; G275-F277 VanDerWaalsContact C-N 3.28Å; G275-F277 PolarHBondContact O-N 3.14Å; G275-W278 PolarHBondContact O-N 2.65Å; G275-M279 WeakPolarHBondContact O-CG 3.48Å; G275-M279 PolarHBondContact O-N 3.25Å; G275-M279 VanDerWaalsContact O-N 3.14Å
276A87.6Confident89.5Confident35 Ų3577.6 Ų77.629%0.28943%0.429SS..Hα-helixtrans-63.3-35.7173.100000112V271 T273 M279 L280V271-A276 HydrophobicContact CG1-CB 3.84Å; T273-A276 PolarHBondContact O-N 3.42Å; T273-A276 VanDerWaalsContact O-N 3.15Å; T273-A276 WeakPolarHBondContact OG1-CB 3.08Å; T273-A276 PolarHBondContact OG1-N 3.44Å; T273-A276 VanDerWaalsContact OG1-N 3.1Å; A276-M279 PolarHBondContact O-N 2.62Å; A276-L280 WeakPolarHBondContact O-CB 3.41Å; A276-L280 PolarHBondContact O-N 3.22Å
277F89.7Confident89.7Confident91 Ų9180.3 Ų80.340%0.39944%0.442SS..Hα-helixtrans-60.8-53.5175.5178.3-94.4000111.9V271 T273 P274 G275 M279 L280 D281V271-F277 HydrophobicContact CG1-CB 3.9Å; T273-F277 PolarHBondContact O-N 3.12Å; P274-F277 WeakPolarHBondContact O-CB 3.4Å; P274-F277 PolarHBondContact O-N 3.06Å; G275-F277 VanDerWaalsContact C-N 3.28Å; G275-F277 PolarHBondContact O-N 3.14Å; F277-M279 VanDerWaalsContact C-N 3.3Å; F277-M279 PolarHBondContact O-N 3.38Å; F277-L280 PolarHBondContact O-N 2.96Å; F277-L280 VanDerWaalsContact O-N 3.12Å; F277-D281 HydrophobicContact CE1-CB 4.39Å; F277-D281 WeakPolarHBondContact O-CB 3.4Å; F277-D281 PolarHBondContact O-N 3.48Å
278W92.6Very high90Very high168 Ų16877.3 Ų77.364%0.63642%0.42SS*.Hα-helixtrans-66.1-30.6-179.7-65.1121.1000113.4P274 G275 D281 S282P274-W278 PolarHBondContact O-N 3.33Å; G275-W278 PolarHBondContact O-N 2.65Å; W278-D281 HydrophobicContact CE3-CB 4.32Å; W278-S282 PolarHBondContact O-N 3.38Å
279M91Very high90.2Very high131 Ų13180.2 Ų80.265%0.64544%0.436SS*.Hα-helixtrans-66.8-41.3171.3-71.3-171.2-62.900112.2G275 A276 F277 S282G275-M279 WeakPolarHBondContact O-CG 3.48Å; G275-M279 PolarHBondContact O-N 3.25Å; G275-M279 VanDerWaalsContact O-N 3.14Å; A276-M279 PolarHBondContact O-N 2.62Å; F277-M279 VanDerWaalsContact C-N 3.3Å; F277-M279 PolarHBondContact O-N 3.38Å; M279-S282 PolarHBondContact O-OG 3.33Å
280L92.2Very high90.6Very high28 Ų2882.4 Ų82.415%0.14745%0.452CS..Hα-helixtrans-68.2-46.3175.7171.857.9000112L268 V271 A276 F277 S282 K283 W284 E287L268-L280 HydrophobicContact CD1-CD1 3.55Å; L268-L280 HydrophobicContact CD1-CD2 4.11Å; L268-L280 HydrophobicContact CG-CD1 4.2Å; L268-L280 HydrophobicContact CG-CD2 4.27Å; L268-L280 WeakPolarHBondContact O-CD2 3.36Å; V271-L280 HydrophobicContact CG2-CD2 3.63Å; A276-L280 WeakPolarHBondContact O-CB 3.41Å; A276-L280 PolarHBondContact O-N 3.22Å; F277-L280 PolarHBondContact O-N 2.96Å; F277-L280 VanDerWaalsContact O-N 3.12Å; L280-S282 VanDerWaalsContact C-N 3.26Å; L280-S282 PolarHBondContact O-N 2.96Å; L280-K283 CarbonylContact O-C 3.59Å; L280-K283 WeakPolarHBondContact O-CA 3.41Å; L280-K283 PolarHBondContact O-N 2.98Å; L280-W284 HydrophobicContact CD1-CE3 4.19Å; L280-W284 HydrophobicContact CD2-CE3 4.14Å; L280-W284 HydrophobicContact CD2-CZ3 4.17Å; L280-W284 HydrophobicContact CG-CE3 4.06Å; L280-W284 WeakPolarHBondContact O-CA 3.35Å; L280-W284 PolarHBondContact O-N 3.33Å; L280-E287 HydrophobicContact CD1-CB 3.95Å; L280-E287 HydrophobicContact CD1-CG 3.85Å
281D93Very high91.1Very high82 Ų8282 Ų8244%0.43945%0.449SS..Hα-helixtrans-51.9-45.1-179.6-173.871.1000111.4F277 W278 K283 W284F277-D281 HydrophobicContact CE1-CB 4.39Å; F277-D281 WeakPolarHBondContact O-CB 3.4Å; F277-D281 PolarHBondContact O-N 3.48Å; W278-D281 HydrophobicContact CE3-CB 4.32Å; D281-K283 PolarHBondContact O-N 3.01Å; D281-W284 WeakPolarHBondContact O-CB 3.31Å; D281-W284 PolarHBondContact O-N 2.67Å; D281-W284 VanDerWaalsContact O-N 3.13Å
282S93.6Very high91.7Very high93 Ų9380.6 Ų80.665%0.6545%0.445SS*.THydrogen-bonded Turntrans-59.5-14.117676.90000115.7W278 M279 L280W278-S282 PolarHBondContact O-N 3.38Å; M279-S282 PolarHBondContact O-OG 3.33Å; L280-S282 VanDerWaalsContact C-N 3.26Å; L280-S282 PolarHBondContact O-N 2.96Å
283K94.9Very high92.5Very high126 Ų12677.7 Ų77.755%0.54843%0.428SS..THydrogen-bonded Turntrans-1273.6179.3-61.6-177.2-178.6-1800113.8L280 D281 N285 A286 E287L280-K283 CarbonylContact O-C 3.59Å; L280-K283 WeakPolarHBondContact O-CA 3.41Å; L280-K283 PolarHBondContact O-N 2.98Å; D281-K283 PolarHBondContact O-N 3.01Å; K283-N285 VanDerWaalsContact C-N 3.32Å; K283-N285 PolarHBondContact O-N 3.37Å; K283-A286 PolarHBondContact O-N 3.32Å; K283-E287 HydrophobicContact CB-CG 3.92Å; K283-E287 PolarHBondContact O-N 3.27Å
284W94.5Very high93.2Very high101 Ų10178.4 Ų78.438%0.38343%0.429SS..Hα-helixtrans-46.9-49.3-160.6169.5-106.5000114L268 L280 D281 A286 E287 V288L268-W284 HydrophobicContact CD2-CZ3 4.17Å; L268-W284 HydrophobicContact CG-CZ3 4.21Å; L280-W284 HydrophobicContact CD1-CE3 4.19Å; L280-W284 HydrophobicContact CD2-CE3 4.14Å; L280-W284 HydrophobicContact CD2-CZ3 4.17Å; L280-W284 HydrophobicContact CG-CE3 4.06Å; L280-W284 WeakPolarHBondContact O-CA 3.35Å; L280-W284 PolarHBondContact O-N 3.33Å; D281-W284 WeakPolarHBondContact O-CB 3.31Å; D281-W284 PolarHBondContact O-N 2.67Å; D281-W284 VanDerWaalsContact O-N 3.13Å; W284-A286 PolarHBondContact O-N 2.8Å; W284-E287 PolarHBondContact O-N 3.31Å; W284-V288 HydrophobicContact CD2-CG2 3.69Å; W284-V288 VanDerWaalsContact CE2-CG2 3.46Å; W284-V288 HydrophobicContact CE3-CG2 3.91Å; W284-V288 HydrophobicContact CG-CG2 4.37Å; W284-V288 HydrophobicContact CH2-CG2 3.74Å; W284-V288 HydrophobicContact CZ2-CG2 3.5Å; W284-V288 HydrophobicContact CZ3-CG2 3.94Å; W284-V288 WeakPolarHBondContact O-CB 3.43Å; W284-V288 VanDerWaalsContact O-CG2 3.31Å; W284-V288 WeakPolarHBondContact O-CG2 3.34Å; W284-V288 PolarHBondContact O-N 2.94Å
285N95Very high93.8Very high121 Ų12176.5 Ų76.565%0.64742%0.415SS*.Hα-helixtrans-59.4-45.2-178.8-60.9-26.2000112.5K283 V288 D289K283-N285 VanDerWaalsContact C-N 3.32Å; K283-N285 PolarHBondContact O-N 3.37Å; N285-V288 PolarHBondContact O-N 2.9Å; N285-D289 WeakPolarHBondContact O-CB 3.49Å; N285-D289 PolarHBondContact O-N 3.49Å
286A96.2Very high94Very high66 Ų6675 Ų7555%0.54540%0.397SS..Hα-helixtrans-68.6-38.8-17900000112.1K283 W284 S290K283-A286 PolarHBondContact O-N 3.32Å; W284-A286 PolarHBondContact O-N 2.8Å; A286-S290 WeakPolarHBondContact O-CB 3.37Å; A286-S290 PolarHBondContact O-N 3.35Å
287E96.1Very high94.1Very high71 Ų7176.3 Ų76.333%0.33240%0.401SS..Hα-helixtrans-68.8-40.7176.2-57.4-67.4164.700111L268 L280 K283 W284 S290 T291L268-E287 HydrophobicContact CD1-CB 3.81Å; L268-E287 HydrophobicContact CD2-CB 3.92Å; L280-E287 HydrophobicContact CD1-CB 3.95Å; L280-E287 HydrophobicContact CD1-CG 3.85Å; K283-E287 HydrophobicContact CB-CG 3.92Å; K283-E287 PolarHBondContact O-N 3.27Å; W284-E287 PolarHBondContact O-N 3.31Å; E287-S290 WeakPolarHBondContact O-CB 3.41Å; E287-S290 PolarHBondContact O-N 2.81Å; E287-S290 PolarHBondContact O-OG 2.81Å; E287-T291 PolarHBondContact O-N 2.93Å
288V95.5Very high94.3Very high13 Ų1377 Ų778%0.07941%0.406CS..Hα-helixtrans-63.4-44.9174.4168.40000111.5L265 L268 W284 N285 S290 T291 L294L265-V288 HydrophobicContact CD1-CG2 4.48Å; L268-V288 HydrophobicContact CD2-CB 4.44Å; L268-V288 HydrophobicContact CD2-CG2 3.74Å; W284-V288 HydrophobicContact CD2-CG2 3.69Å; W284-V288 VanDerWaalsContact CE2-CG2 3.46Å; W284-V288 HydrophobicContact CE3-CG2 3.91Å; W284-V288 HydrophobicContact CG-CG2 4.37Å; W284-V288 HydrophobicContact CH2-CG2 3.74Å; W284-V288 HydrophobicContact CZ2-CG2 3.5Å; W284-V288 HydrophobicContact CZ3-CG2 3.94Å; W284-V288 WeakPolarHBondContact O-CB 3.43Å; W284-V288 VanDerWaalsContact O-CG2 3.31Å; W284-V288 WeakPolarHBondContact O-CG2 3.34Å; W284-V288 PolarHBondContact O-N 2.94Å; N285-V288 PolarHBondContact O-N 2.9Å; V288-S290 VanDerWaalsContact C-N 3.26Å; V288-S290 PolarHBondContact O-N 2.95Å; V288-T291 WeakPolarHBondContact O-CB 3.37Å; V288-T291 WeakPolarHBondContact O-CG2 3.4Å; V288-T291 PolarHBondContact O-N 2.66Å; V288-T291 VanDerWaalsContact O-N 3.14Å; V288-T291 PolarHBondContact O-OG1 2.85Å; V288-L294 HydrophobicContact CG1-CD1 3.78Å; V288-L294 HydrophobicContact CG1-CG 4.09Å
289D95.9Very high94.2Very high93 Ų9373 Ų7350%0.49739%0.39SS..Hα-helixtrans-61.6-36.3175.6-76-25.8000111.3N285 T291 G292N285-D289 WeakPolarHBondContact O-CB 3.49Å; N285-D289 PolarHBondContact O-N 3.49Å; D289-T291 PolarHBondContact O-N 3.49Å; D289-G292 PolarHBondContact O-N 3.27Å
290S96.7Very high94Very high91 Ų9167.8 Ų67.864%0.63637%0.367SS*.Hα-helixtrans-61.4-26.1175.988.80000113.9A286 E287 V288 G292A286-S290 WeakPolarHBondContact O-CB 3.37Å; A286-S290 PolarHBondContact O-N 3.35Å; E287-S290 WeakPolarHBondContact O-CB 3.41Å; E287-S290 PolarHBondContact O-N 2.81Å; E287-S290 PolarHBondContact O-OG 2.81Å; V288-S290 VanDerWaalsContact C-N 3.26Å; V288-S290 PolarHBondContact O-N 2.95Å; S290-G292 PolarHBondContact O-N 3.25Å
291T96.4Very high93.8Very high14 Ų1470.7 Ų70.79%0.08638%0.382CS..THydrogen-bonded Turntrans-65.9-20.9173.873.90000112.7A261 A264 L265 L268 E287 V288 D289 W293A261-T291 WeakPolarHBondContact CA-O 3.49Å; A261-T291 WeakPolarHBondContact CB-O 3.2Å; A264-T291 HydrophobicContact CB-CG2 4.05Å; L265-T291 HydrophobicContact CB-CG2 4.18Å; L265-T291 HydrophobicContact CD1-CG2 4.37Å; L268-T291 HydrophobicContact CD2-CG2 4.09Å; E287-T291 PolarHBondContact O-N 2.93Å; V288-T291 WeakPolarHBondContact O-CB 3.37Å; V288-T291 WeakPolarHBondContact O-CG2 3.4Å; V288-T291 PolarHBondContact O-N 2.66Å; V288-T291 VanDerWaalsContact O-N 3.14Å; V288-T291 PolarHBondContact O-OG1 2.85Å; D289-T291 PolarHBondContact O-N 3.49Å; T291-W293 PolarHBondContact O-N 3.3Å; T291-W293 WeakPolarHBondContact OG1-CB 3.42Å; T291-W293 PolarHBondContact OG1-N 3.37Å; T291-W293 VanDerWaalsContact OG1-N 3.12Å
292G96.2Very high93.6Very high21 Ų2171.8 Ų71.822%0.21638%0.384CS..THydrogen-bonded Turntrans682-171.800000114.8D289 S290 L294 T295 L296D289-G292 PolarHBondContact O-N 3.27Å; S290-G292 PolarHBondContact O-N 3.25Å; G292-L294 PolarHBondContact O-N 2.95Å; G292-T295 WeakPolarHBondContact O-CB 3.39Å; G292-T295 PolarHBondContact O-N 3.28Å; G292-L296 WeakPolarHBondContact O-CG 3.33Å; G292-L296 PolarHBondContact O-N 3.22Å
293W94.6Very high93.3Very high69 Ų6968.1 Ų68.126%0.26136%0.36SS..Hα-helixtrans-60.4-47.8-176.2-179.7-103.4000112.1V258 A261 F262 L265 T291 T295 L296 V297V258-W293 HydrophobicContact CG1-CH2 4.4Å; V258-W293 HydrophobicContact CG1-CZ3 3.87Å; A261-W293 HydrophobicContact CB-CB 4.41Å; A261-W293 HydrophobicContact CB-CE3 4.08Å; F262-W293 HydrophobicContact CB-CE3 4.24Å; F262-W293 HydrophobicContact CB-CH2 4.48Å; F262-W293 HydrophobicContact CB-CZ3 3.76Å; F262-W293 HydrophobicContact CD2-CH2 4.1Å; F262-W293 HydrophobicContact CD2-CZ3 4.17Å; F262-W293 HydrophobicContact CG-CZ3 4.48Å; L265-W293 HydrophobicContact CD2-CB 4.22Å; L265-W293 HydrophobicContact CD2-CD2 4.17Å; L265-W293 HydrophobicContact CD2-CG 3.74Å; T291-W293 PolarHBondContact O-N 3.3Å; T291-W293 WeakPolarHBondContact OG1-CB 3.42Å; T291-W293 PolarHBondContact OG1-N 3.37Å; T291-W293 VanDerWaalsContact OG1-N 3.12Å; W293-T295 VanDerWaalsContact C-N 3.31Å; W293-T295 PolarHBondContact O-N 2.91Å; W293-L296 PolarHBondContact O-N 3.44Å; W293-V297 WeakPolarHBondContact O-CG2 3.26Å; W293-V297 PolarHBondContact O-N 3.26Å
294L94.6Very high92.9Very high88 Ų8862.5 Ų62.546%0.46134%0.336SS..Hα-helixtrans-63.4-37.3177.5-61.3-176.6000111.8V288 G292 L296 V297 Q298V288-L294 HydrophobicContact CG1-CD1 3.78Å; V288-L294 HydrophobicContact CG1-CG 4.09Å; G292-L294 PolarHBondContact O-N 2.95Å; L294-L296 VanDerWaalsContact C-N 3.34Å; L294-L296 PolarHBondContact O-N 3.35Å; L294-V297 PolarHBondContact O-N 2.92Å; L294-Q298 WeakPolarHBondContact O-CB 3.39Å; L294-Q298 PolarHBondContact O-N 3.45Å
295T95.3Very high92.5Very high61 Ų6162 Ų6237%0.37434%0.34SS..Hα-helixtrans-63.5-37174.7-41.10000112.3G292 W293 R299G292-T295 WeakPolarHBondContact O-CB 3.39Å; G292-T295 PolarHBondContact O-N 3.28Å; W293-T295 VanDerWaalsContact C-N 3.31Å; W293-T295 PolarHBondContact O-N 2.91Å; T295-R299 WeakPolarHBondContact O-CB 3.23Å; T295-R299 WeakPolarHBondContact O-CD 3.31Å; T295-R299 VanDerWaalsContact O-CG 3.25Å; T295-R299 WeakPolarHBondContact O-CG 3.43Å; T295-R299 PolarHBondContact O-N 3.35Å
296L91.8Very high92.3Very high13 Ų1357.8 Ų57.87%0.06832%0.323CS..Hα-helixtrans-70-39.2174.2-66.2174.9000112V253 E257 V258 A261 G292 W293 L294 C300V253-L296 HydrophobicContact CB-CD2 4.16Å; V253-L296 HydrophobicContact CG1-CB 4.22Å; V253-L296 HydrophobicContact CG1-CD2 3.58Å; V253-L296 HydrophobicContact CG1-CG 4.49Å; E257-L296 HydrophobicContact CB-CD1 4.34Å; E257-L296 HydrophobicContact CB-CD2 4.12Å; V258-L296 HydrophobicContact CG2-CD1 4.27Å; A261-L296 HydrophobicContact CB-CD1 3.48Å; A261-L296 VanDerWaalsContact CB-CD1 3.48Å; G292-L296 WeakPolarHBondContact O-CG 3.33Å; G292-L296 PolarHBondContact O-N 3.22Å; W293-L296 PolarHBondContact O-N 3.44Å; L294-L296 VanDerWaalsContact C-N 3.34Å; L294-L296 PolarHBondContact O-N 3.35Å; L296-C300 WeakPolarHBondContact O-CB 3.41Å; L296-C300 PolarHBondContact O-N 2.88Å; L296-C300 PolarHBondContact O-SG 3.4Å; L296-C300 VanDerWaalsContact O-SG 3.38Å
297V90.7Very high91.9Very high61 Ų6155.2 Ų55.237%0.3730%0.301SS..Hα-helixtrans-63.1-46173.6173.60000110.7W293 L294 C300 L301W293-V297 WeakPolarHBondContact O-CG2 3.26Å; W293-V297 PolarHBondContact O-N 3.26Å; L294-V297 PolarHBondContact O-N 2.92Å; V297-C300 WeakPolarHBondContact O-CB 3.34Å; V297-C300 PolarHBondContact O-N 3.42Å; V297-L301 HydrophobicContact CG1-CD1 3.95Å; V297-L301 HydrophobicContact CG1-CG 4.44Å; V297-L301 WeakPolarHBondContact O-CG 3.46Å; V297-L301 PolarHBondContact O-N 3.1Å
298Q92.5Very high91.4Very high106 Ų10655.4 Ų55.450%0.49530%0.303SS..Hα-helixtrans-59.1-50.4176.3-173.5-169.834.600111.6L294 C300 L301 Q302L294-Q298 WeakPolarHBondContact O-CB 3.39Å; L294-Q298 PolarHBondContact O-N 3.45Å; Q298-C300 VanDerWaalsContact C-N 3.29Å; Q298-C300 PolarHBondContact O-N 3.29Å; Q298-L301 PolarHBondContact O-N 2.94Å; Q298-L301 VanDerWaalsContact O-N 3.17Å; Q298-Q302 HydrophobicContact CG-CG 4.48Å; Q298-Q302 WeakPolarHBondContact O-CB 3.35Å; Q298-Q302 WeakPolarHBondContact O-CG 3.45Å; Q298-Q302 PolarHBondContact O-N 2.82Å
299R91.2Very high91.2Very high84 Ų8459 Ų5932%0.31732%0.322SS..Hα-helixtrans-54.5-44.8176-81162.462-171.5-3.1111.7P252 V253 E257 T295 A303P252-R299 HydrophobicContact CB-CB 4.29Å; P252-R299 HydrophobicContact CG-CB 4.47Å; P252-R299 VanDerWaalsContact CG-O 3.29Å; P252-R299 WeakPolarHBondContact CG-O 3.48Å; P252-R299 PolarHBondContact O-NE 2.66Å; P252-R299 PolarHBondContact O-NH2 2.89Å; V253-R299 HydrophobicContact CG1-CB 4.26Å; E257-R299 IonicContact OE2-CZ 2.72Å; E257-R299 IonicContact OE2-NH1 2.69Å; E257-R299 PolarHBondContact OE2-NH1 2.99Å; E257-R299 IonicContact OE2-NH2 3.56Å; E257-R299 PolarHBondContact OE2-NH2 3.44Å; T295-R299 WeakPolarHBondContact O-CB 3.23Å; T295-R299 WeakPolarHBondContact O-CD 3.31Å; T295-R299 VanDerWaalsContact O-CG 3.25Å; T295-R299 WeakPolarHBondContact O-CG 3.43Å; T295-R299 PolarHBondContact O-N 3.35Å; R299-A303 PolarHBondContact O-N 3.35Å
300C87.5Confident91Very high22 Ų2258.9 Ų58.915%0.14932%0.315CS..Hα-helixtrans-59.8-55.1174.1-76.80000111.7L296 V297 Q298 Q302 A303 C304L296-C300 WeakPolarHBondContact O-CB 3.41Å; L296-C300 PolarHBondContact O-N 2.88Å; L296-C300 PolarHBondContact O-SG 3.4Å; L296-C300 VanDerWaalsContact O-SG 3.38Å; V297-C300 WeakPolarHBondContact O-CB 3.34Å; V297-C300 PolarHBondContact O-N 3.42Å; Q298-C300 VanDerWaalsContact C-N 3.29Å; Q298-C300 PolarHBondContact O-N 3.29Å; C300-Q302 VanDerWaalsContact C-N 3.31Å; C300-Q302 PolarHBondContact O-N 3.09Å; C300-A303 PolarHBondContact O-N 2.98Å; C300-A303 VanDerWaalsContact O-N 3.12Å; C300-C304 PolarHBondContact O-N 2.88Å; C300-C304 VanDerWaalsContact O-N 3.1Å; C300-C304 PolarHBondContact O-SG 3.37Å
301L87.5Confident90.5Very high89 Ų8955.2 Ų55.247%0.46629%0.288SS..Hα-helixtrans-59-38.8-178-69.7171.7000112.8V297 Q298 C304 L305V297-L301 HydrophobicContact CG1-CD1 3.95Å; V297-L301 HydrophobicContact CG1-CG 4.44Å; V297-L301 WeakPolarHBondContact O-CG 3.46Å; V297-L301 PolarHBondContact O-N 3.1Å; Q298-L301 PolarHBondContact O-N 2.94Å; Q298-L301 VanDerWaalsContact O-N 3.17Å; L301-C304 WeakPolarHBondContact O-CB 3.47Å; L301-C304 PolarHBondContact O-N 3.25Å; L301-C304 VanDerWaalsContact O-N 3.11Å; L301-L305 WeakPolarHBondContact O-CG 3.47Å; L301-L305 PolarHBondContact O-N 2.8Å
302Q89.6Confident90.1Very high105 Ų10558.9 Ų58.949%0.49130%0.304SS..Hα-helixtrans-60.2-44.5174.6-74.6169.1-2700112.4Q298 C300 C304 L305 A306Q298-Q302 HydrophobicContact CG-CG 4.48Å; Q298-Q302 WeakPolarHBondContact O-CB 3.35Å; Q298-Q302 WeakPolarHBondContact O-CG 3.45Å; Q298-Q302 PolarHBondContact O-N 2.82Å; C300-Q302 VanDerWaalsContact C-N 3.31Å; C300-Q302 PolarHBondContact O-N 3.09Å; Q302-C304 PolarHBondContact O-N 3.13Å; Q302-L305 PolarHBondContact O-N 3.12Å; Q302-A306 PolarHBondContact O-N 2.96Å
303A86.7Confident89.8Confident16 Ų1662.1 Ų62.113%0.13232%0.324CS..Hα-helixtrans-65.7-28.7174.900000112.5V249 P252 R299 C300 C307V249-A303 HydrophobicContact CG1-CB 4.14Å; P252-A303 HydrophobicContact CB-CB 4.37Å; P252-A303 HydrophobicContact CG-CB 3.72Å; R299-A303 PolarHBondContact O-N 3.35Å; C300-A303 PolarHBondContact O-N 2.98Å; C300-A303 VanDerWaalsContact O-N 3.12Å; A303-C307 PolarHBondContact O-N 3.34Å; A303-C307 PolarHBondContact O-SG 3.47Å
304C85.3Confident89.8Confident8 Ų860.6 Ų60.65%0.05433%0.326CS..Hα-helixtrans-73.1-40.1176.8-54.20000112.1C300 L301 Q302 C307 I308 I335 I337C300-C304 PolarHBondContact O-N 2.88Å; C300-C304 VanDerWaalsContact O-N 3.1Å; C300-C304 PolarHBondContact O-SG 3.37Å; L301-C304 WeakPolarHBondContact O-CB 3.47Å; L301-C304 PolarHBondContact O-N 3.25Å; L301-C304 VanDerWaalsContact O-N 3.11Å; Q302-C304 PolarHBondContact O-N 3.13Å; C304-C307 WeakPolarHBondContact O-CB 3.43Å; C304-C307 PolarHBondContact O-N 3.07Å; C304-I308 PolarHBondContact O-N 2.88Å; C304-I308 VanDerWaalsContact O-N 3.13Å; C304-I335 HydrophobicContact CB-CD1 4.02Å; C304-I335 HydrophobicContact CB-CG2 4.47Å; C304-I335 WeakPolarHBondContact SG-CD1 3Å; C304-I337 HydrophobicContact CB-CD1 4.14Å
305L87.4Confident89.7Confident89 Ų8961.3 Ų61.347%0.46633%0.325SS..Hα-helixtrans-61.8-47.3171.8-69.8169.6000110.5L301 Q302 C307 I308 D309 I337L301-L305 WeakPolarHBondContact O-CG 3.47Å; L301-L305 PolarHBondContact O-N 2.8Å; Q302-L305 PolarHBondContact O-N 3.12Å; L305-C307 VanDerWaalsContact C-N 3.31Å; L305-C307 PolarHBondContact O-N 3.45Å; L305-I308 CarbonylContact O-C 3.31Å; L305-I308 WeakPolarHBondContact O-CA 3.31Å; L305-I308 WeakPolarHBondContact O-CB 3.47Å; L305-I308 PolarHBondContact O-N 3.2Å; L305-D309 PolarHBondContact O-N 2.7Å; L305-I337 HydrophobicContact CD2-CD1 4.39Å
306A89.5Confident89.7Confident34 Ų3460.6 Ų60.628%0.28132%0.318SS..Hα-helixtrans-57.3-41.117500000112.8Q302 I308 D309 Y310Q302-A306 PolarHBondContact O-N 2.96Å; A306-I308 VanDerWaalsContact C-N 3.31Å; A306-I308 PolarHBondContact O-N 3Å; A306-D309 PolarHBondContact O-N 2.59Å; A306-Y310 HydrophobicContact CB-CE2 4.49Å; A306-Y310 WeakPolarHBondContact O-CD2 3.39Å; A306-Y310 PolarHBondContact O-N 3.48Å
307C88.4Confident89.7Confident12 Ų1260 Ų608%0.08132%0.315CS..Hα-helixtrans-58.8-39.7172.2-730000112.9A303 C304 L305 L311 V318A303-C307 PolarHBondContact O-N 3.34Å; A303-C307 PolarHBondContact O-SG 3.47Å; C304-C307 WeakPolarHBondContact O-CB 3.43Å; C304-C307 PolarHBondContact O-N 3.07Å; L305-C307 VanDerWaalsContact C-N 3.31Å; L305-C307 PolarHBondContact O-N 3.45Å; C307-L311 WeakPolarHBondContact O-CB 3.3Å; C307-L311 WeakPolarHBondContact O-CD1 3.44Å; C307-L311 VanDerWaalsContact O-CG 3.23Å; C307-L311 WeakPolarHBondContact O-CG 3.47Å; C307-L311 PolarHBondContact O-N 2.92Å; C307-L311 VanDerWaalsContact O-N 3.1Å; C307-V318 HydrophobicContact CB-CG1 4.42Å
308I86.8Confident89.9Confident74 Ų7457.1 Ų57.138%0.37930%0.298SS..Hα-helixtrans-70.7-45.7177.9-69.9174.2000110.8C304 L305 A306 Y310 L311 E312 I337C304-I308 PolarHBondContact O-N 2.88Å; C304-I308 VanDerWaalsContact O-N 3.13Å; L305-I308 CarbonylContact O-C 3.31Å; L305-I308 WeakPolarHBondContact O-CA 3.31Å; L305-I308 WeakPolarHBondContact O-CB 3.47Å; L305-I308 PolarHBondContact O-N 3.2Å; A306-I308 VanDerWaalsContact C-N 3.31Å; A306-I308 PolarHBondContact O-N 3Å; I308-Y310 VanDerWaalsContact C-N 3.25Å; I308-Y310 PolarHBondContact O-N 3.15Å; I308-L311 PolarHBondContact O-N 3.47Å; I308-L311 VanDerWaalsContact O-N 3.13Å; I308-E312 PolarHBondContact O-N 2.98Å; I308-I337 HydrophobicContact CD1-CB 4.14Å; I308-I337 HydrophobicContact CD1-CD1 3.62Å; I308-I337 HydrophobicContact CD1-CG1 4.38Å; I308-I337 HydrophobicContact CD1-CG2 4.39Å
309D89.8Confident89.9Confident90 Ų9052.1 Ų52.148%0.48127%0.274SS..Hα-helixtrans-59.4-36.7177.4-73.4-42.7000112L305 A306 S313 A314L305-D309 PolarHBondContact O-N 2.7Å; A306-D309 PolarHBondContact O-N 2.59Å; D309-S313 WeakPolarHBondContact O-CA 3.4Å; D309-S313 VanDerWaalsContact O-CB 3.3Å; D309-S313 WeakPolarHBondContact O-CB 3.14Å; D309-S313 PolarHBondContact O-N 2.93Å; D309-S313 VanDerWaalsContact O-N 3.14Å; D309-A314 PolarHBondContact O-N 2.93Å
310Y92.6Very high89.8Confident90 Ų9049.4 Ų49.435%0.35327%0.266SS..Hα-helixtrans-69.2-44.5173.1-72.5-52000113.1T247 V249 A306 I308 A314 K315 M316 V318T247-Y310 HydrophobicContact CG2-CD1 3.95Å; T247-Y310 HydrophobicContact CG2-CD2 3.65Å; T247-Y310 HydrophobicContact CG2-CE1 4.37Å; T247-Y310 HydrophobicContact CG2-CE2 4.09Å; T247-Y310 HydrophobicContact CG2-CG 3.6Å; V249-Y310 HydrophobicContact CG2-CD2 3.95Å; V249-Y310 HydrophobicContact CG2-CE2 3.94Å; A306-Y310 HydrophobicContact CB-CE2 4.49Å; A306-Y310 WeakPolarHBondContact O-CD2 3.39Å; A306-Y310 PolarHBondContact O-N 3.48Å; I308-Y310 VanDerWaalsContact C-N 3.25Å; I308-Y310 PolarHBondContact O-N 3.15Å; Y310-A314 HydrophobicContact CD1-CB 4.29Å; Y310-K315 PolarHBondContact O-N 3.33Å; Y310-K315 VanDerWaalsContact O-N 3.13Å; Y310-M316 CarbonylContact C-O 3.52Å; Y310-M316 PolarHBondContact O-N 2.94Å; Y310-V318 VanDerWaalsContact CB-CG2 3.47Å; Y310-V318 HydrophobicContact CD2-CG2 4.43Å; Y310-V318 HydrophobicContact CG-CG2 4.36Å
311L86.9Confident89.8Confident14 Ų1451.4 Ų51.47%0.07327%0.27CS..Hα-helixtrans-68.3-41.4-178.4-73.9167.6000112.8N208 C210 L212 C307 I308 V318N208-L311 PolarHBondContact ND2-O 2.93Å; C210-L311 HydrophobicContact CB-CD2 3.86Å; L212-L311 HydrophobicContact CB-CD1 4.45Å; C307-L311 WeakPolarHBondContact O-CB 3.3Å; C307-L311 WeakPolarHBondContact O-CD1 3.44Å; C307-L311 VanDerWaalsContact O-CG 3.23Å; C307-L311 WeakPolarHBondContact O-CG 3.47Å; C307-L311 PolarHBondContact O-N 2.92Å; C307-L311 VanDerWaalsContact O-N 3.1Å; I308-L311 PolarHBondContact O-N 3.47Å; I308-L311 VanDerWaalsContact O-N 3.13Å; L311-V318 HydrophobicContact CD2-CG2 4.16Å; L311-V318 HydrophobicContact CG-CG2 3.9Å
312E86.8Confident89Confident90 Ų9048.2 Ų48.242%0.42126%0.259SS..THydrogen-bonded Turntrans-99.5-60.2-171.5-172.456.6-162.400112.5H206 N208 I308 K315H206-E312 IonicContact CE1-OE2 3.52Å; H206-E312 PolarHBondContact CE1-OE2 2.84Å; H206-E312 IonicContact ND1-OE2 3.19Å; H206-E312 PolarHBondContact ND1-OE2 2.9Å; H206-E312 IonicContact NE2-OE2 3.88Å; H206-E312 PolarHBondContact NE2-OE2 2.77Å; N208-E312 PolarHBondContact ND2-OE2 2.78Å; I308-E312 PolarHBondContact O-N 2.98Å; E312-K315 VanDerWaalsContact O-CG 3.24Å; E312-K315 WeakPolarHBondContact O-CG 3.39Å
313S90.9Very high87.7Confident90 Ų9045.5 Ų45.563%0.62926%0.259SS*.THydrogen-bonded Turntrans-72.1-50-174.7-51.90000111.9D309D309-S313 WeakPolarHBondContact O-CA 3.4Å; D309-S313 VanDerWaalsContact O-CB 3.3Å; D309-S313 WeakPolarHBondContact O-CB 3.14Å; D309-S313 PolarHBondContact O-N 2.93Å; D309-S313 VanDerWaalsContact O-N 3.14Å
314A94.3Very high86Confident36 Ų3647 Ų4730%0.29827%0.272SS..SBendtrans-81.3-16.6179.900000113.4K244 D309 Y310 M316K244-A314 PolarHBondContact NZ-O 3.28Å; D309-A314 PolarHBondContact O-N 2.93Å; Y310-A314 HydrophobicContact CD1-CB 4.29Å; A314-M316 HydrophobicContact CB-CG 4.33Å; A314-M316 HydrophobicContact CB-SD 4.42Å
315K93Very high84.3Confident104 Ų10455.2 Ų55.245%0.45231%0.306SS..  trans49.566.7-173.5-57.1-178.4-175.1179.40111.1C210 H240 K244 Y310 E312C210-K315 VanDerWaalsContact SG-CA 3.55Å; H240-K315 PolarHBondContact CE1-O 3.5Å; H240-K315 PolarHBondContact NE2-O 3.29Å; K244-K315 WeakPolarHBondContact CD-O 3.47Å; Y310-K315 PolarHBondContact O-N 3.33Å; Y310-K315 VanDerWaalsContact O-N 3.13Å; E312-K315 VanDerWaalsContact O-CG 3.24Å; E312-K315 WeakPolarHBondContact O-CG 3.39Å
316M94.4Very high82Confident46 Ų4655.2 Ų55.223%0.22731%0.312CS..  trans-135.8137.9177.7-68.9-176.367.400110.8C210 K244 K245 Y310 A314C210-M316 PolarHBondContact SG-N 2.56Å; K244-M316 HydrophobicContact CD-CG 3.58Å; K244-M316 HydrophobicContact CD-SD 4.34Å; K245-M316 WeakPolarHBondContact O-CE 3.49Å; Y310-M316 CarbonylContact C-O 3.52Å; Y310-M316 PolarHBondContact O-N 2.94Å; A314-M316 HydrophobicContact CB-CG 4.33Å; A314-M316 HydrophobicContact CB-SD 4.42Å
317S93Very high79.4Confident1 Ų155.8 Ų55.81%0.00731%0.313CS..  trans-61.9146.1165.9-64.40000111.2A211 P246 T247A211-S317 PolarHBondContact N-OG 3.34Å; A211-S317 CarbonylContact O-C 3.32Å; A211-S317 WeakPolarHBondContact O-CA 3.46Å; A211-S317 WeakPolarHBondContact O-CB 3.21Å; P246-S317 CarbonylContact C-O 3.59Å; P246-S317 WeakPolarHBondContact CA-O 3.4Å; T247-S317 PolarHBondContact N-O 2.88Å
318V93.2Very high77Confident0 Ų063.7 Ų63.70%034%0.341CS..EExtended strand (participates in β ladder)trans-123134.5-176.3178.10000110.3A211 L212 L213 T247 V249 C307 Y310 L311A211-V318 PolarHBondContact O-N 2.9Å; L212-V318 WeakPolarHBondContact CA-O 3.41Å; L212-V318 HydrophobicContact CD1-CB 4.05Å; L212-V318 HydrophobicContact CD1-CG1 4.12Å; L213-V318 PolarHBondContact N-O 3.33Å; T247-V318 HydrophobicContact CG2-CB 4.49Å; T247-V318 HydrophobicContact CG2-CG2 3.89Å; T247-V318 CarbonylContact O-C 3.54Å; T247-V318 WeakPolarHBondContact O-CA 3.34Å; V249-V318 HydrophobicContact CB-CG1 4.22Å; V249-V318 HydrophobicContact CG2-CG1 3.8Å; C307-V318 HydrophobicContact CB-CG1 4.42Å; Y310-V318 VanDerWaalsContact CB-CG2 3.47Å; Y310-V318 HydrophobicContact CD2-CG2 4.43Å; Y310-V318 HydrophobicContact CG-CG2 4.36Å; L311-V318 HydrophobicContact CD2-CG2 4.16Å; L311-V318 HydrophobicContact CG-CG2 3.9Å
319V92.7Very high74.5Confident0 Ų062.9 Ų62.90%034%0.34CS..EExtended strand (participates in β ladder)trans-109.2113.4169.7-167.30000109.2L213 A215 W229 F232 P246 T247 V249 R321L213-V319 HydrophobicContact CB-CG1 4.39Å; L213-V319 HydrophobicContact CB-CG2 4.26Å; L213-V319 HydrophobicContact CD1-CG2 4.43Å; L213-V319 WeakPolarHBondContact O-CA 3.22Å; A215-V319 HydrophobicContact CB-CG1 3.86Å; W229-V319 HydrophobicContact CH2-CG1 4.14Å; F232-V319 HydrophobicContact CE1-CG1 4.18Å; F232-V319 HydrophobicContact CE1-CG2 3.63Å; F232-V319 HydrophobicContact CZ-CG1 4.47Å; F232-V319 HydrophobicContact CZ-CG2 3.75Å; P246-V319 HydrophobicContact CB-CG2 3.95Å; P246-V319 HydrophobicContact CG-CG2 4.28Å; T247-V319 PolarHBondContact O-N 2.78Å; V249-V319 PolarHBondContact N-O 3.25Å; V319-R321 PolarHBondContact O-N 3.16Å
320I90.3Very high71.7Confident27 Ų2760.2 Ų60.214%0.13833%0.327CS..EExtended strand (participates in β ladder)trans-75.6114.4169.2-64.5176.2000108.2L212 L213 R214 A215 V249 V251L212-I320 HydrophobicContact CD1-CD1 3.88Å; L212-I320 HydrophobicContact CD1-CG1 3.97Å; L212-I320 HydrophobicContact CD2-CD1 4.5Å; L213-I320 PolarHBondContact O-N 3.01Å; R214-I320 VanDerWaalsContact CA-O 3.27Å; R214-I320 WeakPolarHBondContact CA-O 3.17Å; A215-I320 PolarHBondContact N-O 3.14Å; V249-I320 WeakPolarHBondContact O-CA 3.48Å; V251-I320 HydrophobicContact CG2-CG2 3.59Å
321R85.9Confident68.9Low64 Ų6459.8 Ų59.824%0.24233%0.325CS..EExtended strand (participates in β ladder)trans-103.9126.3-179-169.6160.271.6171.3-0.2111.3A215 P217 I248 V249 E250 V251 V319A215-R321 WeakPolarHBondContact O-CA 3.32Å; P217-R321 HydrophobicContact CB-CG 4.1Å; I248-R321 HydrophobicContact CG2-CB 3.77Å; V249-R321 PolarHBondContact O-N 3.1Å; E250-R321 IonicContact OE1-CZ 3.68Å; E250-R321 IonicContact OE1-NE 2.7Å; E250-R321 PolarHBondContact OE1-NE 3.47Å; E250-R321 IonicContact OE1-NH2 2.59Å; E250-R321 PolarHBondContact OE1-NH2 3.17Å; E250-R321 IonicContact OE2-NE 3.26Å; V251-R321 WeakPolarHBondContact CG2-O 3.35Å; V251-R321 PolarHBondContact N-O 3.01Å; V319-R321 PolarHBondContact O-N 3.16Å
322G72Confident66.4Low22 Ų2261.3 Ų61.323%0.22733%0.331CS..PPolyproline II helixtrans-75.8165.3178.500000113.2A215 P217A215-G322 PolarHBondContact O-N 3.25Å; P217-G322 WeakPolarHBondContact CD-O 3.5Å; P217-G322 WeakPolarHBondContact CG-O 3.47Å
323G62.6Low63.6Low49 Ų4964.3 Ų64.351%0.50535%0.345SS..PPolyproline II helixtrans-69.2144.9166.700000112.1K325G323-K325 VanDerWaalsContact C-N 3.25Å; G323-K325 PolarHBondContact O-N 2.98Å; G323-K325 VanDerWaalsContact O-N 3.13Å
324A50.1Low61Low48 Ų4863.5 Ų63.540%0.39733%0.33SS..SBendtrans-63.1-18.1-172.500000116.1S195 P217S195-A324 VanDerWaalsContact CB-O 3.22Å; S195-A324 WeakPolarHBondContact CB-O 3.47Å; S195-A324 WeakPolarHBondContact OG-CA 3.44Å; S195-A324 PolarHBondContact OG-O 3.17Å; P217-A324 HydrophobicContact CG-CB 3.7Å
325K50.7Low58.6Low179 Ų17963.2 Ų63.278%0.77832%0.324SS*.SBendtrans-90138.5175.3-67.1-164.7176.2-172.40110.8G323 C327G323-K325 VanDerWaalsContact C-N 3.25Å; G323-K325 PolarHBondContact O-N 2.98Å; G323-K325 VanDerWaalsContact O-N 3.13Å; K325-C327 PolarHBondContact O-N 2.78Å; K325-C327 PolarHBondContact O-SG 3.5Å
326P39.4Very low55.8Low89 Ų8961.5 Ų61.558%0.57832%0.322SS*.  trans-60.290.4-172.122.9-34.8000112.7S196 R328S196-P326 WeakPolarHBondContact OG-CB 3.44Å; P326-R328 PolarHBondContact O-N 3.49Å
327C34.4Very low52.8Low46 Ų4662.6 Ų62.631%0.31133%0.328SS..  trans-71.283.2165-64.40000107.8A255 K325 V329 V330A255-C327 HydrophobicContact CB-CB 4.1Å; K325-C327 PolarHBondContact O-N 2.78Å; K325-C327 PolarHBondContact O-SG 3.5Å; C327-V329 PolarHBondContact O-N 2.98Å; C327-V330 HydrophobicContact CB-CB 4.16Å; C327-V330 HydrophobicContact CB-CG2 3.94Å; C327-V330 PolarHBondContact O-N 3.46Å
328R37.8Very low49.5Very low178 Ų17871.5 Ų71.567%0.67237%0.367SS*.THydrogen-bonded Turntrans-53.7106.2171.2-70.5-173.9179.6-172.51.1107.7P326P326-R328 PolarHBondContact O-N 3.49Å
329V33.3Very low46.3Very low58 Ų5876.1 Ų76.135%0.35240%0.399SS..THydrogen-bonded Turntrans65.945.3176.6-155.10000115.6C327 Y331 A356C327-V329 PolarHBondContact O-N 2.98Å; V329-Y331 HydrophobicContact CB-CD2 4.27Å; V329-Y331 HydrophobicContact CB-CE2 4.37Å; V329-Y331 HydrophobicContact CG1-CD2 3.62Å; V329-Y331 HydrophobicContact CG1-CE2 3.94Å; V329-Y331 HydrophobicContact CG2-CE2 4.46Å; V329-Y331 PolarHBondContact O-N 3.28Å; V329-A356 HydrophobicContact CG1-CB 3.94Å
330V31.3Very low43.1Very low34 Ų3485.6 Ų85.621%0.20644%0.443CS..EExtended strand (participates in β ladder)trans-87.992.4143179.70000107.7A255 C327 F332A255-V330 HydrophobicContact CB-CG2 4.36Å; C327-V330 HydrophobicContact CB-CB 4.16Å; C327-V330 HydrophobicContact CB-CG2 3.94Å; C327-V330 PolarHBondContact O-N 3.46Å; V330-F332 HydrophobicContact CG1-CE2 4.15Å
331Y34.3Very low39.9Very low80 Ų8087.9 Ų87.931%0.31447%0.466SS..EExtended strand (participates in β ladder)trans-99.2123.9164.6-74.3-107000108.3R198 R214 V329 Q333R198-Y331 PolarHBondContact NH2-OH 3.47Å; R214-Y331 VanDerWaalsContact NH1-CD1 3.25Å; V329-Y331 HydrophobicContact CB-CD2 4.27Å; V329-Y331 HydrophobicContact CB-CE2 4.37Å; V329-Y331 HydrophobicContact CG1-CD2 3.62Å; V329-Y331 HydrophobicContact CG1-CE2 3.94Å; V329-Y331 HydrophobicContact CG2-CE2 4.46Å; V329-Y331 PolarHBondContact O-N 3.28Å; Y331-Q333 PolarHBondContact O-N 2.89Å
332F33.7Very low37Very low46 Ų4693.6 Ų93.620%0.20250%0.496CS..  trans-69.470.3149.6-70.4-92000107.3V251 V330 K334 I335 V353V251-F332 HydrophobicContact CB-CE2 4.29Å; V251-F332 HydrophobicContact CG1-CE2 3.73Å; V251-F332 HydrophobicContact CG1-CZ 4.07Å; V251-F332 HydrophobicContact CG2-CD2 4.28Å; V251-F332 HydrophobicContact CG2-CE2 3.58Å; V251-F332 HydrophobicContact CG2-CZ 4.35Å; V330-F332 HydrophobicContact CG1-CE2 4.15Å; F332-K334 PolarHBondContact O-N 2.82Å; F332-I335 HydrophobicContact CD1-CD1 3.69Å; F332-I335 HydrophobicContact CD1-CG1 4.22Å; F332-I335 HydrophobicContact CE1-CD1 4.21Å; F332-V353 HydrophobicContact CD1-CG2 4.01Å; F332-V353 HydrophobicContact CE1-CG2 4.21Å
333Q29.7Very low34.8Very low153 Ų153100.8 Ų100.872%0.71553%0.528SS*.  trans-79.652.6177.9-161.3174.321.800109.8Y331 L352Y331-Q333 PolarHBondContact O-N 2.89Å; Q333-L352 CarbonylContact C-O 3.46Å
334K35.8Very low33.1Very low73 Ų73101.9 Ų101.932%0.31754%0.539SS..  trans125.7173.8-176.9-47162.2155.6167.90112.2E146 F332 L351 L352E146-K334 IonicContact OE1-NZ 2.76Å; E146-K334 PolarHBondContact OE1-NZ 2.9Å; F332-K334 PolarHBondContact O-N 2.82Å; K334-L351 VanDerWaalsContact CB-CA 3.46Å; K334-L351 HydrophobicContact CB-CB 3.58Å; K334-L351 HydrophobicContact CB-CD1 3.61Å; K334-L351 HydrophobicContact CB-CG 3.27Å; K334-L351 HydrophobicContact CD-CD1 3.7Å; K334-L351 HydrophobicContact CD-CG 4.37Å; K334-L351 HydrophobicContact CG-CB 4.45Å; K334-L351 HydrophobicContact CG-CD1 3.43Å; K334-L351 VanDerWaalsContact CG-CD1 3.43Å; K334-L351 HydrophobicContact CG-CG 3.65Å; K334-L352 CarbonylContact C-O 3.59Å; K334-L352 VanDerWaalsContact C-O 3.29Å; K334-L352 WeakPolarHBondContact CA-O 3.38Å; K334-L352 PolarHBondContact N-O 2.67Å; K334-L352 CarbonylContact O-C 3.57Å; K334-L352 VanDerWaalsContact O-C 3.31Å
335I44.5Very low31.9Very low31 Ų31111.5 Ų111.516%0.15957%0.566CS.*  trans-168.296.3150.4-33.9-179.5000115.4C304 F332 L351 V353C304-I335 HydrophobicContact CB-CD1 4.02Å; C304-I335 HydrophobicContact CB-CG2 4.47Å; C304-I335 WeakPolarHBondContact SG-CD1 3Å; F332-I335 HydrophobicContact CD1-CD1 3.69Å; F332-I335 HydrophobicContact CD1-CG1 4.22Å; F332-I335 HydrophobicContact CE1-CD1 4.21Å; I335-L351 CarbonylContact C-O 3.48Å; I335-L351 HydrophobicContact CB-CD2 4.16Å; I335-L351 WeakPolarHBondContact O-CB 3.13Å; I335-L351 WeakPolarHBondContact O-CD2 3.19Å; I335-V353 HydrophobicContact CB-CG2 4.31Å; I335-V353 HydrophobicContact CD1-CG2 4.08Å; I335-V353 HydrophobicContact CG1-CG2 3.74Å; I335-V353 HydrophobicContact CG2-CG2 3.98Å
336T32.4Very low30.7Very low68 Ų68107.2 Ų107.242%0.41756%0.557SS.*  trans-76.9132.9179.8-50.90000108.6L351T336-L351 WeakPolarHBondContact CA-O 3.3Å; T336-L351 WeakPolarHBondContact CB-O 3.42Å; T336-L351 PolarHBondContact N-O 2.76Å; T336-L351 PolarHBondContact OG1-N 2.86Å; T336-L351 PolarHBondContact OG1-O 3.45Å
337I31.1Very low30.2Very low68 Ų68110.7 Ų110.735%0.34957%0.565SS.*  trans-122.5125.2167.2-73.4172.8000108.7C304 L305 I308 S339C304-I337 HydrophobicContact CB-CD1 4.14Å; L305-I337 HydrophobicContact CD2-CD1 4.39Å; I308-I337 HydrophobicContact CD1-CB 4.14Å; I308-I337 HydrophobicContact CD1-CD1 3.62Å; I308-I337 HydrophobicContact CD1-CG1 4.38Å; I308-I337 HydrophobicContact CD1-CG2 4.39Å; I337-S339 PolarHBondContact O-N 3.42Å
338F24.6Very low29.8Very low189 Ų189114.2 Ų114.283%0.82958%0.581SS**  trans-70.6119.6174.7-90.8-93.7000109.7
339S27Very low29.3Very low97 Ų97110.6 Ų110.668%0.67857%0.571SS**  trans-107.1106156.7-175.60000108.3I337 A341I337-S339 PolarHBondContact O-N 3.42Å; S339-A341 PolarHBondContact O-N 3.3Å; S339-A341 VanDerWaalsContact O-N 3.17Å; S339-A341 WeakPolarHBondContact OG-CB 3.2Å; S339-A341 PolarHBondContact OG-N 2.57Å
340Q23.7Very low29.2Very low198 Ų198116 Ų11693%0.92559%0.587SS**  trans-82.766.2159-82.3-161.1-2200109.2
341A25Very low29.6Very low75 Ų75117 Ų11762%0.6259%0.59SS**  trans-107.7144161.200000108.4S339S339-A341 PolarHBondContact O-N 3.3Å; S339-A341 VanDerWaalsContact O-N 3.17Å; S339-A341 WeakPolarHBondContact OG-CB 3.2Å; S339-A341 PolarHBondContact OG-N 2.57Å
342Q24.9Very low29.5Very low185 Ų185118.7 Ų118.786%0.86460%0.604SS**  trans-75.7170.4-169.6-63.1-178.4-58.400113.4
343L25.8Very low29.4Very low172 Ų172119.3 Ų119.390%0.90161%0.612SS**  trans79.397165.8-56.8167.4000117.3
344G25.5Very low29.3Very low72 Ų72116.3 Ų116.374%0.74260%0.603SS**SBend77.9104.5128.200000119.1
345R25.4Very low28.9Very low251 Ų251114.8 Ų114.895%0.94761%0.605SS**  trans61.962.3156.7-55.5-177.3178.4-170.80.7117.1
346C26.3Very low27.9Very low89 Ų89114.9 Ų114.960%0.60161%0.61SS**  trans-144.9112.9148.3-104.10000110.3L348C346-L348 PolarHBondContact O-N 2.77Å
347E27.5Very low27.6Very low161 Ų161114.7 Ų114.775%0.75261%0.606SS**  trans-74.182.8158.6-79.4-163.5-163.500108.4H349E347-H349 HydrophobicContact CB-CB 4.33Å; E347-H349 PolarHBondContact O-N 3.28Å; E347-H349 IonicContact OE2-CE1 2.8Å; E347-H349 PolarHBondContact OE2-CE1 2.87Å; E347-H349 IonicContact OE2-CG 2.74Å; E347-H349 IonicContact OE2-ND1 3.49Å; E347-H349 PolarHBondContact OE2-ND1 3.25Å
348L25.9Very low27.3Very low121 Ų121119.9 Ų119.963%0.63462%0.623SS**  trans-74.763.6169.9-111.5158.4000109.1C346C346-L348 PolarHBondContact O-N 2.77Å
349H27.6Very low27.2Very low102 Ų102113.9 Ų113.947%0.47261%0.613SS.*  trans-91137.2-164.2-123.9143.8000111.6E347E347-H349 HydrophobicContact CB-CB 4.33Å; E347-H349 PolarHBondContact O-N 3.28Å; E347-H349 IonicContact OE2-CE1 2.8Å; E347-H349 PolarHBondContact OE2-CE1 2.87Å; E347-H349 IonicContact OE2-CG 2.74Å; E347-H349 IonicContact OE2-ND1 3.49Å; E347-H349 PolarHBondContact OE2-ND1 3.25Å
350Y30.5Very low27.1Very low172 Ų172113.8 Ų113.868%0.67561%0.611SS**  trans61.1160.4-171.2-44.7-71.5000112.9
351L41.4Very low27.1Very low53 Ų53108.6 Ų108.628%0.27759%0.588SS.*  178.7153124.4-157.195.900099.5K334 I335 T336K334-L351 VanDerWaalsContact CB-CA 3.46Å; K334-L351 HydrophobicContact CB-CB 3.58Å; K334-L351 HydrophobicContact CB-CD1 3.61Å; K334-L351 HydrophobicContact CB-CG 3.27Å; K334-L351 HydrophobicContact CD-CD1 3.7Å; K334-L351 HydrophobicContact CD-CG 4.37Å; K334-L351 HydrophobicContact CG-CB 4.45Å; K334-L351 HydrophobicContact CG-CD1 3.43Å; K334-L351 VanDerWaalsContact CG-CD1 3.43Å; K334-L351 HydrophobicContact CG-CG 3.65Å; I335-L351 CarbonylContact C-O 3.48Å; I335-L351 HydrophobicContact CB-CD2 4.16Å; I335-L351 WeakPolarHBondContact O-CB 3.13Å; I335-L351 WeakPolarHBondContact O-CD2 3.19Å; T336-L351 WeakPolarHBondContact CA-O 3.3Å; T336-L351 WeakPolarHBondContact CB-O 3.42Å; T336-L351 PolarHBondContact N-O 2.76Å; T336-L351 PolarHBondContact OG1-N 2.86Å; T336-L351 PolarHBondContact OG1-O 3.45Å
352L30.9Very low27Very low116 Ų116112.9 Ų112.961%0.60760%0.596SS**  trans-150.2146.8170.4-159.3129.5000115.5Q333 K334 V354Q333-L352 CarbonylContact C-O 3.46Å; K334-L352 CarbonylContact C-O 3.59Å; K334-L352 VanDerWaalsContact C-O 3.29Å; K334-L352 WeakPolarHBondContact CA-O 3.38Å; K334-L352 PolarHBondContact N-O 2.67Å; K334-L352 CarbonylContact O-C 3.57Å; K334-L352 VanDerWaalsContact O-C 3.31Å; L352-V354 HydrophobicContact CD2-CG2 3.69Å
353V31.2Very low26.9Very low60 Ų60109.1 Ų109.136%0.36459%0.59SS.*  trans-91.2124.6176178.60000112F332 I335F332-V353 HydrophobicContact CD1-CG2 4.01Å; F332-V353 HydrophobicContact CE1-CG2 4.21Å; I335-V353 HydrophobicContact CB-CG2 4.31Å; I335-V353 HydrophobicContact CD1-CG2 4.08Å; I335-V353 HydrophobicContact CG1-CG2 3.74Å; I335-V353 HydrophobicContact CG2-CG2 3.98Å
354V27.5Very low26.6Very low89 Ų89107.1 Ų107.154%0.53958%0.58SS.*EExtended strand (participates in β ladder)trans-132.6112.3167-175.30000110.1L352 A356L352-V354 HydrophobicContact CD2-CG2 3.69Å; V354-A356 VanDerWaalsContact C-N 3.34Å; V354-A356 HydrophobicContact CG1-CB 4.4Å; V354-A356 PolarHBondContact O-N 3.12Å; V354-A356 VanDerWaalsContact O-N 3.08Å
355A27.4Very low26.7Very low42 Ų42115 Ų11535%0.34761%0.605SS.*EExtended strand (participates in β ladder)trans-80.979.2172.300000110.4V258 L357V258-A355 HydrophobicContact CG1-CB 4.05Å; A355-L357 VanDerWaalsContact C-N 3.3Å; A355-L357 PolarHBondContact O-N 3.14Å
356A24.4Very low26.7Very low32 Ų32108.2 Ų108.226%0.26459%0.588SS.*  trans-76.175.6-176.900000112.5V329 V354 Y358V329-A356 HydrophobicContact CG1-CB 3.94Å; V354-A356 VanDerWaalsContact C-N 3.34Å; V354-A356 HydrophobicContact CG1-CB 4.4Å; V354-A356 PolarHBondContact O-N 3.12Å; V354-A356 VanDerWaalsContact O-N 3.08Å; A356-Y358 PolarHBondContact O-N 3.31Å
357L25.6Very low26.8Very low64 Ų64109.2 Ų109.234%0.33559%0.587SS.*  trans-68.886.7179.3-69.5170.7000112.7A255 V258 A259 A355A255-L357 HydrophobicContact CB-CD2 3.8Å; V258-L357 HydrophobicContact CB-CD1 4.1Å; V258-L357 HydrophobicContact CG1-CD1 3.82Å; A259-L357 HydrophobicContact CB-CD1 3.83Å; A355-L357 VanDerWaalsContact C-N 3.3Å; A355-L357 PolarHBondContact O-N 3.14Å
358Y24.8Very low26.7Very low178 Ų178106.3 Ų106.370%0.69858%0.578SS**  trans-89.5101.3163.8-81.8-90.1000110.4A356A356-Y358 PolarHBondContact O-N 3.31Å
359G23.3Very low26.8Very low62 Ų62105.4 Ų105.464%0.63958%0.575SS**PPolyproline II helixtrans-64.8153.4163.100000111.1
360P23.8Very low26.7Very low96 Ų96105.6 Ų105.662%0.62358%0.581SS**PPolyproline II helixtrans-68.2139.7172.630.4-33.5000110.4Q362P360-Q362 PolarHBondContact O-N 3.14Å
361I24.8Very low26.5Very low88 Ų88101.2 Ų101.245%0.45158%0.575SS.*PPolyproline II helixtrans-58.5131.9154-64.2158.8000106.5P108 S363P108-I361 VanDerWaalsContact O-CD1 3.26Å; P108-I361 WeakPolarHBondContact O-CD1 3.44Å; I361-S363 VanDerWaalsContact C-N 3.3Å; I361-S363 PolarHBondContact O-N 3.01Å
362Q22Very low25.4Very low166 Ų166104.6 Ų104.678%0.77660%0.596SS**  trans-72.388.1171.5-79.6-173.7-42.600109.8P360 N364P360-Q362 PolarHBondContact O-N 3.14Å; Q362-N364 PolarHBondContact O-N 3.14Å
363S22.6Very low25Very low106 Ų106103.8 Ų103.874%0.74160%0.595SS**  trans-71.786.115558.60000108.1I361 N365I361-S363 VanDerWaalsContact C-N 3.3Å; I361-S363 PolarHBondContact O-N 3.01Å; S363-N365 PolarHBondContact O-N 2.9Å
364N20.4Very low24.4Very low129 Ų129107.4 Ų107.469%0.6961%0.614SS**  trans-67.3114.4167.5-77.2-8.7000108.6Q362Q362-N364 PolarHBondContact O-N 3.14Å
365N27Very low24.2Very low237 Ų237109.1 Ų109.1100%1.26762%0.621SS**  trans-154.80161.5-90.2-23.8000106.5S363S363-N365 PolarHBondContact O-N 2.9Å

Retrieved 365 of 365 residues in 316 ms (Link to these results)