A0A077Z3Q0_TRITR Loading...

Abasic site processing protein HMCES

AlphaFold DB , UniProt , Accession A0A077Z3Q0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 232 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
1M54.7Low36.8Very low40 Ų40108.2 Ų108.220%0.19752%0.519CS..  01430-142.8171.6-78.500107.6L23 V24 M26 C67 I69 S129M1-L23 CarbonylContact O-C 3.55Å; M1-L23 WeakPolarHBondContact O-CA 3.41Å; M1-L23 WeakPolarHBondContact O-CD1 3.45Å; M1-V24 VanDerWaalsContact CB-O 3.29Å; M1-V24 WeakPolarHBondContact CB-O 3.21Å; M1-V24 PolarHBondContact N-O 2.91Å; M1-V24 PolarHBondContact O-N 3.13Å; M1-M26 HydrophobicContact CB-CG 4.34Å; M1-M26 HydrophobicContact CE-CB 4.1Å; M1-M26 HydrophobicContact CG-SD 4.46Å; M1-M26 HydrophobicContact SD-CB 3.87Å; M1-M26 HydrophobicContact SD-CG 3.92Å; M1-M26 HydrophobicContact SD-SD 3.54Å; M1-C67 HydrophobicContact CG-CB 4.4Å; M1-I69 HydrophobicContact CE-CD1 4.22Å; M1-I69 HydrophobicContact CE-CG1 3.8Å; M1-I69 HydrophobicContact CE-CG2 4.3Å; M1-I69 HydrophobicContact CG-CB 4.26Å; M1-I69 HydrophobicContact CG-CG1 3.6Å; M1-I69 HydrophobicContact SD-CD1 4.28Å; M1-I69 HydrophobicContact SD-CG1 3.66Å; M1-S129 WeakPolarHBondContact CE-OG 3.43Å; M1-S129 WeakPolarHBondContact SD-CB 3.5Å; M1-S129 PolarHBondContact SD-OG 2.61Å
2V43.6Very low36Very low17 Ų17115.3 Ų115.310%0.10356%0.555CS.*EExtended strand (participates in β ladder)trans-111.1129.5-173.9-178.10000110.3V21 L22 L23 C67 A68 L70 L161V2-V21 HydrophobicContact CB-CG1 4.42Å; V2-V21 HydrophobicContact CG1-CB 4.41Å; V2-V21 HydrophobicContact CG1-CG1 2.96Å; V2-L22 CarbonylContact C-O 3.53Å; V2-L22 VanDerWaalsContact CA-O 3.23Å; V2-L22 WeakPolarHBondContact CA-O 3.46Å; V2-L23 HydrophobicContact CG2-CD1 3.72Å; V2-C67 VanDerWaalsContact O-CA 3.29Å; V2-C67 WeakPolarHBondContact O-CA 3.36Å; V2-C67 VanDerWaalsContact O-CB 3.26Å; V2-C67 WeakPolarHBondContact O-CB 3.28Å; V2-A68 HydrophobicContact CB-CB 4.42Å; V2-A68 PolarHBondContact N-O 2.86Å; V2-A68 PolarHBondContact O-N 2.84Å; V2-L70 HydrophobicContact CG2-CD1 3.69Å; V2-L70 HydrophobicContact CG2-CD2 4.42Å; V2-L70 HydrophobicContact CG2-CG 4.04Å; V2-L161 HydrophobicContact CG1-CD1 3.84Å
3S42.3Very low35.7Very low7 Ų7115.8 Ų115.85%0.04957%0.57CS.*EExtended strand (participates in β ladder)trans-136146.6178.1-174.80000109.8L22 Y117S3-L22 PolarHBondContact N-O 3.46Å; S3-L22 WeakPolarHBondContact O-CA 3.16Å; S3-L22 WeakPolarHBondContact O-CB 3.33Å; S3-L22 PolarHBondContact O-N 2.81Å; S3-L22 VanDerWaalsContact O-O 3.12Å; S3-Y117 WeakPolarHBondContact OG-CE1 3.46Å
4S41.5Very low35.4Very low12 Ų12122.4 Ų122.48%0.08459%0.594CS.*  trans-84.4141.8167.155.70000109.6L161S4-L161 PolarHBondContact OG-O 3.3Å
5D36.2Very low35.3Very low89 Ų89122.1 Ų122.148%0.47661%0.609SS.*  trans-95.9124.4164.8-98.2-9000108.2L22D5-L22 HydrophobicContact CB-CD1 3.39Å; D5-L22 HydrophobicContact CB-CG 4.4Å; D5-L22 WeakPolarHBondContact OD2-CD1 3.26Å
6V38.7Very low35.6Very low119 Ų119118.8 Ų118.872%0.72162%0.615SS**  trans-115.777.4161.9-171.90000107.8
7Y31.8Very low36.8Very low228 Ų228117.2 Ų117.289%0.89462%0.617SS**  trans-101.6108.2160-105.1-81.1000108.8
8G31.9Very low38.4Very low62 Ų62121.1 Ų121.164%0.63963%0.631SS**  trans160.776.8170.600000114.3D10G8-D10 VanDerWaalsContact C-N 3.26Å; G8-D10 PolarHBondContact O-N 3.12Å; G8-D10 VanDerWaalsContact O-N 3.08Å
9R28.9Very low40.4Very low254 Ų254118.1 Ų118.196%0.95861%0.614SS**  trans-67.694.3148-80.3-175.3-1611555106.7
10D27.5Very low42.7Very low141 Ų141115.6 Ų115.675%0.75461%0.608SS**  trans-177.5140.2134.9-114.4-21.4000112.2G8G8-D10 VanDerWaalsContact C-N 3.26Å; G8-D10 PolarHBondContact O-N 3.12Å; G8-D10 VanDerWaalsContact O-N 3.08Å
11R28Very low44.9Very low221 Ų221113.5 Ų113.583%0.83460%0.599SS**  trans75.8112.5161.4-64.1177.4-179.3-175.8-1.1119T13R11-T13 PolarHBondContact O-N 2.63Å
12M27.2Very low46.8Very low194 Ų194114.3 Ų114.396%0.95660%0.604SS**  trans-5.4108.7142.5-80.4161.2161.900114.9
13T32.2Very low49.2Very low121 Ų121119.9 Ų119.974%0.74263%0.633SS**  trans-132.6107.2149.751.20000109.2R11R11-T13 PolarHBondContact O-N 2.63Å
14K31.3Very low51.7Low209 Ų209121.6 Ų121.691%0.90964%0.643SS**  trans-66.7140.5147-79.5177.7171.6178.40106.5
15S33.5Very low54.2Low118 Ų118128.7 Ų128.783%0.82568%0.675SS**SBendtrans93103.8174.9-165.50000116.3
16G40.1Very low57Low68 Ų68125.4 Ų125.470%0.70166%0.657SS**  trans65.957.6152.700000117.4H18G16-H18 PolarHBondContact O-N 2.74Å; G16-H18 VanDerWaalsContact O-N 3.08Å
17S55.5Low59.7Low93 Ų93122.2 Ų122.265%0.6563%0.634SS**  trans-69.4103170.552.90000110.4M19S17-M19 PolarHBondContact O-N 2.87Å
18H66.1Low62.7Low187 Ų187117.9 Ų117.987%0.86662%0.616SS**  trans-64115167-90.1-91.3000109.1G16 S20G16-H18 PolarHBondContact O-N 2.74Å; G16-H18 VanDerWaalsContact O-N 3.08Å; H18-S20 PolarHBondContact O-N 3.16Å
19M76.2Confident65.6Low63 Ų63115 Ų11531%0.3159%0.586SS.*  trans-64.9121.5172.2-169.9-99.8-11300108.5S17 V21 L158 L161 D162S17-M19 PolarHBondContact O-N 2.87Å; M19-V21 HydrophobicContact CE-CG2 4.43Å; M19-V21 HydrophobicContact SD-CG2 3.41Å; M19-V21 WeakPolarHBondContact SD-CG2 3.3Å; M19-L158 HydrophobicContact CE-CB 3.98Å; M19-L158 HydrophobicContact CE-CD2 3.58Å; M19-L158 HydrophobicContact CE-CG 4.4Å; M19-L158 WeakPolarHBondContact CE-O 3.48Å; M19-L158 HydrophobicContact SD-CD2 4.2Å; M19-L161 HydrophobicContact CE-CB 3.92Å; M19-D162 HydrophobicContact CE-CB 3.94Å; M19-D162 HydrophobicContact CG-CB 4.41Å
20S86.3Confident68.6Low69 Ų69103.6 Ų103.648%0.48354%0.544SS..  trans-94137.1176.960.60000110.2H18H18-S20 PolarHBondContact O-N 3.16Å
21V90.1Very high71.4Confident72 Ų7299.6 Ų99.644%0.43652%0.521SS..  trans-118.5125.4-1761780000107.6V2 M19 L161V2-V21 HydrophobicContact CB-CG1 4.42Å; V2-V21 HydrophobicContact CG1-CB 4.41Å; V2-V21 HydrophobicContact CG1-CG1 2.96Å; M19-V21 HydrophobicContact CE-CG2 4.43Å; M19-V21 HydrophobicContact SD-CG2 3.41Å; M19-V21 WeakPolarHBondContact SD-CG2 3.3Å; V21-L161 HydrophobicContact CG1-CD1 4.43Å
22L93.7Very high73.8Confident57 Ų5791.6 Ų91.630%0.29849%0.494SS..EExtended strand (participates in β ladder)trans-108.7136.5179.4-57.8176.2000111.3V2 S3 D5 V24V2-L22 CarbonylContact C-O 3.53Å; V2-L22 VanDerWaalsContact CA-O 3.23Å; V2-L22 WeakPolarHBondContact CA-O 3.46Å; S3-L22 PolarHBondContact N-O 3.46Å; S3-L22 WeakPolarHBondContact O-CA 3.16Å; S3-L22 WeakPolarHBondContact O-CB 3.33Å; S3-L22 PolarHBondContact O-N 2.81Å; S3-L22 VanDerWaalsContact O-O 3.12Å; D5-L22 HydrophobicContact CB-CD1 3.39Å; D5-L22 HydrophobicContact CB-CG 4.4Å; D5-L22 WeakPolarHBondContact OD2-CD1 3.26Å; L22-V24 HydrophobicContact CB-CG2 4.05Å
23L94.6Very high75.5Confident133 Ų13387.2 Ų87.270%0.69648%0.483SS*.EExtended strand (participates in β ladder)trans-92115.9168.1-171.571.3000109.1M1 V2 L70M1-L23 CarbonylContact O-C 3.55Å; M1-L23 WeakPolarHBondContact O-CA 3.41Å; M1-L23 WeakPolarHBondContact O-CD1 3.45Å; V2-L23 HydrophobicContact CG2-CD1 3.72Å; L23-L70 HydrophobicContact CD1-CD1 4.25Å
24V93.9Very high76.6Confident43 Ų4390.8 Ų90.826%0.26148%0.483SS..  trans-125.9138.8-176.1-175.90000109.9M1 L22 M26 Y127M1-V24 VanDerWaalsContact CB-O 3.29Å; M1-V24 WeakPolarHBondContact CB-O 3.21Å; M1-V24 PolarHBondContact N-O 2.91Å; M1-V24 PolarHBondContact O-N 3.13Å; L22-V24 HydrophobicContact CB-CG2 4.05Å; V24-M26 HydrophobicContact CB-CE 4.14Å; V24-M26 HydrophobicContact CG1-CE 4.21Å; V24-M26 HydrophobicContact CG1-CG 4.34Å; V24-Y127 HydrophobicContact CG1-CD2 4.34Å
25Q94.4Very high77.5Confident162 Ų16284.7 Ų84.776%0.75748%0.479SS*.  trans-81.1129.6169-174.4177.6-7.800109.8
26M94.9Very high78.3Confident20 Ų2083.1 Ų83.110%0.09948%0.481CS..  trans-132.3155.1177.9-51.7-170.7179.900109.1M1 V24 Y117 Y127M1-M26 HydrophobicContact CB-CG 4.34Å; M1-M26 HydrophobicContact CE-CB 4.1Å; M1-M26 HydrophobicContact CG-SD 4.46Å; M1-M26 HydrophobicContact SD-CB 3.87Å; M1-M26 HydrophobicContact SD-CG 3.92Å; M1-M26 HydrophobicContact SD-SD 3.54Å; V24-M26 HydrophobicContact CB-CE 4.14Å; V24-M26 HydrophobicContact CG1-CE 4.21Å; V24-M26 HydrophobicContact CG1-CG 4.34Å; M26-Y117 HydrophobicContact CE-CD1 4.31Å; M26-Y117 HydrophobicContact CE-CG 4.13Å; M26-Y117 VanDerWaalsContact SD-CB 3.56Å; M26-Y117 HydrophobicContact SD-CG 4.22Å; M26-Y127 WeakPolarHBondContact CA-O 3.41Å
27E94.6Very high78.9Confident52 Ų5283.3 Ų83.324%0.24347%0.472CS..EExtended strand (participates in β ladder)trans-74.4143.7168.1-168.8173.1138.900109.4K120 P125 Y127 T128 S129E27-K120 IonicContact OE2-NZ 2.74Å; E27-K120 PolarHBondContact OE2-NZ 2.94Å; E27-P125 HydrophobicContact CB-CG 3.8Å; E27-Y127 PolarHBondContact N-O 3.46Å; E27-T128 CarbonylContact O-C 3.48Å; E27-T128 VanDerWaalsContact O-CA 3.23Å; E27-T128 WeakPolarHBondContact O-CA 3.35Å; E27-T128 PolarHBondContact O-OG1 3.26Å; E27-S129 PolarHBondContact O-N 3.33Å; E27-S129 PolarHBondContact O-OG 3.04Å
28W95.4Very high78.8Confident137 Ų13785.3 Ų85.352%0.51947%0.471SS..EExtended strand (participates in β ladder)trans-99.8117.5171.3179.632.8000108.9I44 I131W28-I44 HydrophobicContact CZ2-CB 4.22Å; W28-I44 HydrophobicContact CZ2-CD1 4.31Å; W28-I44 PolarHBondContact NE1-O 3.06Å; W28-I131 HydrophobicContact CH2-CD1 4.41Å; W28-I131 HydrophobicContact CZ2-CD1 3.61Å
29G94.1Very high78.4Confident0 Ų081.7 Ų81.70%045%0.454CS..SBendtrans117.1111.3-175.500000112.3I43 T128 S129G29-I43 WeakPolarHBondContact CA-O 3.37Å; G29-T128 PolarHBondContact O-OG1 2.86Å; G29-S129 PolarHBondContact N-O 3Å
30L90.8Very high77.7Confident15 Ų1586.9 Ų86.98%0.07948%0.483CS..BIsolated β-bridgetrans-85.3114.4175.8172.567.2000110L32 I43 L56 F118 T128 V130L30-L32 HydrophobicContact CD2-CD2 4.07Å; L30-L32 HydrophobicContact CG-CD2 4.16Å; L30-I43 HydrophobicContact CB-CB 4.29Å; L30-I43 PolarHBondContact N-O 2.97Å; L30-I43 PolarHBondContact O-N 3.04Å; L30-L56 HydrophobicContact CD2-CD1 3.97Å; L30-L56 HydrophobicContact CD2-CD2 3.64Å; L30-L56 HydrophobicContact CD2-CG 4.15Å; L30-F118 HydrophobicContact CD1-CB 4.06Å; L30-F118 HydrophobicContact CD1-CD2 4.43Å; L30-F118 HydrophobicContact CD1-CG 4.12Å; L30-F118 HydrophobicContact CD2-CD1 4.13Å; L30-F118 HydrophobicContact CD2-CD2 4.09Å; L30-F118 HydrophobicContact CD2-CE1 4.18Å; L30-F118 HydrophobicContact CD2-CE2 4.15Å; L30-F118 HydrophobicContact CD2-CG 4.11Å; L30-F118 HydrophobicContact CD2-CZ 4.2Å; L30-T128 HydrophobicContact CB-CG2 4.1Å; L30-T128 HydrophobicContact CD1-CG2 3.49Å; L30-T128 VanDerWaalsContact CD1-CG2 3.49Å; L30-T128 HydrophobicContact CG-CG2 4.39Å; L30-T128 PolarHBondContact N-OG1 3.17Å; L30-V130 HydrophobicContact CB-CG1 4Å
31E85.8Confident77.2Confident58 Ų5894 Ų9427%0.27150%0.5SS..  trans-76.3124.5167.4-67-174.515100110.3Q38 Q42 K123E31-Q38 PolarHBondContact OE1-NE2 3.09Å; E31-Q38 PolarHBondContact OE2-NE2 2.89Å; E31-Q42 HydrophobicContact CG-CG 3.96Å; E31-K123 IonicContact OE2-NZ 3.82Å; E31-K123 PolarHBondContact OE2-NZ 3.31Å
32L78.8Confident77.1Confident53 Ų5394.5 Ų94.528%0.27750%0.497SS..  trans-98.2110.8169.2-66.3-175.2000109.1L30 W34 I43 L56L30-L32 HydrophobicContact CD2-CD2 4.07Å; L30-L32 HydrophobicContact CG-CD2 4.16Å; L32-W34 PolarHBondContact O-N 3.21Å; L32-I43 HydrophobicContact CD1-CD1 3.42Å; L32-I43 VanDerWaalsContact CD1-CD1 3.42Å; L32-I43 HydrophobicContact CD1-CG1 4.42Å; L32-I43 HydrophobicContact CG-CD1 3.88Å; L32-L56 HydrophobicContact CD2-CD2 4.22Å
33S63.2Low77.1Confident102 Ų10293.9 Ų93.971%0.71349%0.493SS*.EExtended strand (participates in β ladder)trans-90.993.916953.60000109.7
34W55Low77.2Confident196 Ų19690.8 Ų90.874%0.74248%0.477SS*.EExtended strand (participates in β ladder)trans-107.7118.2167.5-7690.3000108.8L32L32-W34 PolarHBondContact O-N 3.21Å
35G50.7Low77.4Confident80 Ų8092.1 Ų92.183%0.82548%0.483SS*.THydrogen-bonded Turntrans78.823.8172.500000116.4S37G35-S37 PolarHBondContact O-N 3.32Å; G35-S37 VanDerWaalsContact O-N 3.16Å
36G50.3Low77.6Confident85 Ų8584.4 Ų84.488%0.87645%0.447SS*.THydrogen-bonded Turntrans76.1-1.1171.300000115.7
37S52.3Low77.7Confident73 Ų7389.9 Ų89.951%0.5147%0.466SS..EExtended strand (participates in β ladder)trans-101125.4167.131.50000108.9G35 H39G35-S37 PolarHBondContact O-N 3.32Å; G35-S37 VanDerWaalsContact O-N 3.16Å; S37-H39 PolarHBondContact O-N 3.37Å
38Q53.6Low77.9Confident134 Ų13488.4 Ų88.463%0.62646%0.463SS*.EExtended strand (participates in β ladder)trans-68.4114.5172.4-158.3169.8-9.200106.3E31 D40E31-Q38 PolarHBondContact OE1-NE2 3.09Å; E31-Q38 PolarHBondContact OE2-NE2 2.89Å; Q38-D40 PolarHBondContact O-N 3Å
39H57.7Low78Confident111 Ų11187 Ų8751%0.51446%0.462SS..  trans-67.8129.2173.4-83-68000108.8S37 R41S37-H39 PolarHBondContact O-N 3.37Å; H39-R41 PolarHBondContact O-N 3.11Å
40D61Low78.1Confident172 Ų17287.7 Ų87.792%0.9247%0.467SS*.SBendtrans-60.5-8.8176.1-92.3-5.3000114.2Q38Q38-D40 PolarHBondContact O-N 3Å
41R76.5Confident78.5Confident220 Ų22087 Ų8783%0.8346%0.463SS*.  trans-112.2104.7-177.7-66.4-174.889.4142.33.8110.9H39H39-R41 PolarHBondContact O-N 3.11Å
42Q88.3Confident79Confident81 Ų8187.3 Ų87.338%0.37947%0.466SS..  trans-68.3142.8166.2-66.7178.8-3100110.7E31 I44E31-Q42 HydrophobicContact CG-CG 3.96Å; Q42-I44 HydrophobicContact CB-CG2 4.36Å; Q42-I44 PolarHBondContact O-N 3.41Å
43I93.9Very high79.9Confident44 Ų4488.7 Ų88.723%0.22648%0.48CS..BIsolated β-bridgetrans-84.9105.4168.5-60177.2000107.3G29 L30 L32 N45 L56 F57 V130G29-I43 WeakPolarHBondContact CA-O 3.37Å; L30-I43 HydrophobicContact CB-CB 4.29Å; L30-I43 PolarHBondContact N-O 2.97Å; L30-I43 PolarHBondContact O-N 3.04Å; L32-I43 HydrophobicContact CD1-CD1 3.42Å; L32-I43 VanDerWaalsContact CD1-CD1 3.42Å; L32-I43 HydrophobicContact CD1-CG1 4.42Å; L32-I43 HydrophobicContact CG-CD1 3.88Å; I43-N45 WeakPolarHBondContact CG2-O 3.42Å; I43-L56 HydrophobicContact CD1-CD2 4.02Å; I43-F57 HydrophobicContact CG2-CE1 4.26Å; I43-F57 HydrophobicContact CG2-CZ 4.01Å; I43-V130 HydrophobicContact CG2-CG1 4.29Å; I43-V130 WeakPolarHBondContact O-CG1 3.48Å
44I96.3Very high81.5Confident69 Ų6988.9 Ų88.935%0.35447%0.469SS..  trans-95-21.7178.560.7171000113.3W28 Q42 V130 I131W28-I44 HydrophobicContact CZ2-CB 4.22Å; W28-I44 HydrophobicContact CZ2-CD1 4.31Å; W28-I44 PolarHBondContact NE1-O 3.06Å; Q42-I44 HydrophobicContact CB-CG2 4.36Å; Q42-I44 PolarHBondContact O-N 3.41Å; I44-V130 WeakPolarHBondContact O-CA 3.5Å; I44-I131 PolarHBondContact O-N 2.9Å
45N97.7Very high83.4Confident70 Ų7084.7 Ų84.737%0.37447%0.467SS..EExtended strand (participates in β ladder)trans-131.2146.5-174.1-68.7-24.5000112.3I43 I131 T133I43-N45 WeakPolarHBondContact CG2-O 3.42Å; N45-I131 CarbonylContact C-O 3.46Å; N45-I131 WeakPolarHBondContact CA-O 3.24Å; N45-T133 HydrophobicContact CB-CG2 3.92Å
46A97.7Very high85.5Confident0 Ų083.8 Ų83.80%044%0.443CS..EExtended strand (participates in β ladder)trans-118.4133.3169.200000109.9F57 V130 I131 I132 T133A46-F57 HydrophobicContact CB-CD1 3.96Å; A46-F57 HydrophobicContact CB-CD2 3.92Å; A46-F57 HydrophobicContact CB-CE1 3.8Å; A46-F57 HydrophobicContact CB-CE2 3.75Å; A46-F57 HydrophobicContact CB-CG 4.03Å; A46-F57 HydrophobicContact CB-CZ 3.69Å; A46-V130 HydrophobicContact CB-CG2 4.01Å; A46-I131 PolarHBondContact N-O 2.83Å; A46-I132 HydrophobicContact CB-CG1 4.49Å; A46-I132 CarbonylContact O-C 3.57Å; A46-I132 VanDerWaalsContact O-CA 3.3Å; A46-I132 WeakPolarHBondContact O-CA 3.09Å; A46-T133 PolarHBondContact O-N 3.44Å; A46-T133 PolarHBondContact O-OG1 2.77Å; A46-T133 VanDerWaalsContact O-OG1 3.1Å
47R98.3Very high87.7Confident136 Ų13680.3 Ų80.351%0.51340%0.403SS..EExtended strand (participates in β ladder)trans-81.7124.7177-85.7-164167.194.3-3.4110.4E49 S50 V51R47-E49 VanDerWaalsContact CB-OE2 3.27Å; R47-E49 WeakPolarHBondContact CB-OE2 3.32Å; R47-E49 PolarHBondContact O-N 3.18Å; R47-S50 PolarHBondContact O-N 3.23Å; R47-S50 PolarHBondContact O-OG 2.93Å; R47-S50 VanDerWaalsContact O-OG 3.04Å; R47-V51 PolarHBondContact O-N 3.35Å
48A98.4Very high89.8Confident20 Ų2082.3 Ų82.317%0.16540%0.403CS..G310 helixtrans-53.8-38.9-177.400000112.6S50 V51 I132 T133 V134 L175A48-S50 PolarHBondContact O-N 3.5Å; A48-V51 WeakPolarHBondContact O-CG1 3.33Å; A48-V51 PolarHBondContact O-N 3.48Å; A48-I132 HydrophobicContact CB-CG2 3.91Å; A48-T133 WeakPolarHBondContact CB-O 3.47Å; A48-T133 PolarHBondContact N-O 3.19Å; A48-V134 HydrophobicContact CB-CG1 3.72Å; A48-L175 HydrophobicContact CB-CB 4.09Å; A48-L175 HydrophobicContact CB-CD1 4.32Å
49E97.6Very high91.8Very high107 Ų10778.9 Ų78.950%0.539%0.387SS..G310 helixtrans-59-24.7179.1-52.879-176.200112.6R47 R146R47-E49 VanDerWaalsContact CB-OE2 3.27Å; R47-E49 WeakPolarHBondContact CB-OE2 3.32Å; R47-E49 PolarHBondContact O-N 3.18Å; E49-R146 IonicContact OE1-CZ 3.36Å; E49-R146 VanDerWaalsContact OE1-CZ 3.3Å; E49-R146 IonicContact OE1-NH1 2.85Å; E49-R146 PolarHBondContact OE1-NH1 2.9Å; E49-R146 IonicContact OE1-NH2 2.79Å; E49-R146 PolarHBondContact OE1-NH2 3.47Å; E49-R146 IonicContact OE2-CZ 2.71Å; E49-R146 IonicContact OE2-NH1 3.04Å; E49-R146 IonicContact OE2-NH2 2.84Å; E49-R146 PolarHBondContact OE2-NH2 3.3Å
50S97.1Very high93.7Very high16 Ų1673.7 Ų73.711%0.11236%0.363CS..G310 helixtrans-116.53-175.370.50000114R47 A48 L52 S53 K54R47-S50 PolarHBondContact O-N 3.23Å; R47-S50 PolarHBondContact O-OG 2.93Å; R47-S50 VanDerWaalsContact O-OG 3.04Å; A48-S50 PolarHBondContact O-N 3.5Å; S50-L52 VanDerWaalsContact C-N 3.27Å; S50-L52 PolarHBondContact O-N 3.43Å; S50-S53 WeakPolarHBondContact CA-OG 3.47Å; S50-S53 PolarHBondContact O-N 3.14Å; S50-S53 PolarHBondContact O-OG 3.03Å; S50-K54 WeakPolarHBondContact O-CB 3.21Å; S50-K54 PolarHBondContact O-N 3.35Å
51V97.5Very high95.4Very high0 Ų065.5 Ų65.50%032%0.319CS..THydrogen-bonded Turntrans-66.2-30.7-172.281.10000112.3R47 A48 F57 K58 M61 L116 I132 V172 L175R47-V51 PolarHBondContact O-N 3.35Å; A48-V51 WeakPolarHBondContact O-CG1 3.33Å; A48-V51 PolarHBondContact O-N 3.48Å; V51-F57 HydrophobicContact CG2-CB 3.99Å; V51-F57 CarbonylContact O-C 3.58Å; V51-F57 WeakPolarHBondContact O-CB 3.48Å; V51-K58 WeakPolarHBondContact O-CA 3.27Å; V51-K58 PolarHBondContact O-N 3.35Å; V51-K58 VanDerWaalsContact O-N 3.09Å; V51-M61 HydrophobicContact CG2-CG 3.91Å; V51-M61 HydrophobicContact CG2-SD 4.34Å; V51-L116 HydrophobicContact CG2-CD1 3.8Å; V51-I132 HydrophobicContact CG2-CD1 4.24Å; V51-V172 HydrophobicContact CG1-CG1 4.18Å; V51-L175 HydrophobicContact CG1-CD1 4.11Å
52L97.1Very high96.3Very high64 Ų6461.8 Ų61.834%0.33531%0.305SS..THydrogen-bonded Turntrans-95-7.4177.9-60.2-173.9000114.1S50 K58 M61 V172S50-L52 VanDerWaalsContact C-N 3.27Å; S50-L52 PolarHBondContact O-N 3.43Å; L52-K58 WeakPolarHBondContact O-CD 3.33Å; L52-K58 WeakPolarHBondContact O-CE 3.41Å; L52-K58 WeakPolarHBondContact O-CG 3.39Å; L52-M61 HydrophobicContact CD2-CB 4.25Å; L52-M61 HydrophobicContact CD2-CE 3.99Å; L52-M61 HydrophobicContact CD2-CG 4.23Å; L52-V172 HydrophobicContact CD1-CG1 3.73Å; L52-V172 HydrophobicContact CD1-CG2 4.32Å; L52-V172 HydrophobicContact CD2-CG1 4.18Å; L52-V172 HydrophobicContact CG-CG1 3.94Å
53S97Very high96.7Very high82 Ų8264.4 Ų64.457%0.57331%0.311SS*.THydrogen-bonded Turntrans-109.9-37.3-17760.90000113.2S50S50-S53 WeakPolarHBondContact CA-OG 3.47Å; S50-S53 PolarHBondContact O-N 3.14Å; S50-S53 PolarHBondContact O-OG 3.03Å
54K96.5Very high96.8Very high107 Ų10762.9 Ų62.947%0.46531%0.307SS..SBendtrans-71.8126.2177.6-78.7-176.3177.8-176.40111S50 L56 F57 K58S50-K54 WeakPolarHBondContact O-CB 3.21Å; S50-K54 PolarHBondContact O-N 3.35Å; K54-L56 VanDerWaalsContact C-N 3.3Å; K54-L56 PolarHBondContact O-N 3.06Å; K54-L56 VanDerWaalsContact O-N 3.13Å; K54-F57 HydrophobicContact CB-CD2 3.91Å; K54-F57 HydrophobicContact CD-CD2 4.08Å; K54-F57 HydrophobicContact CD-CE2 3.95Å; K54-F57 PolarHBondContact O-N 3.46Å; K54-F57 VanDerWaalsContact O-N 3.17Å; K54-K58 WeakPolarHBondContact O-CB 3.48Å; K54-K58 PolarHBondContact O-N 3.2Å
55P95.8Very high96.8Very high108 Ų10862.6 Ų62.670%0.70130%0.301SS*.Hα-helixtrans-51.6-43.8-172.2-30.334.9000114.8E59P55-E59 VanDerWaalsContact O-CB 3.32Å; P55-E59 WeakPolarHBondContact O-CB 3.4Å; P55-E59 PolarHBondContact O-N 3.29Å
56L93.9Very high96.8Very high61 Ų6159.4 Ų59.432%0.31928%0.284SS..Hα-helixtrans-60.8-50.4-178.7178.564.8000112.7L30 L32 I43 K54 S60 F118L30-L56 HydrophobicContact CD2-CD1 3.97Å; L30-L56 HydrophobicContact CD2-CD2 3.64Å; L30-L56 HydrophobicContact CD2-CG 4.15Å; L32-L56 HydrophobicContact CD2-CD2 4.22Å; I43-L56 HydrophobicContact CD1-CD2 4.02Å; K54-L56 VanDerWaalsContact C-N 3.3Å; K54-L56 PolarHBondContact O-N 3.06Å; K54-L56 VanDerWaalsContact O-N 3.13Å; L56-S60 PolarHBondContact O-N 3.08Å; L56-F118 HydrophobicContact CD1-CD1 4.17Å; L56-F118 HydrophobicContact CD1-CE1 3.74Å; L56-F118 HydrophobicContact CG-CE1 3.97Å; L56-F118 HydrophobicContact CG-CZ 4.4Å
57F96.7Very high96.8Very high12 Ų1259.4 Ų59.45%0.05328%0.284CS..Hα-helixtrans-76.7-38.8-178.2-53.8-40.1000111.5I43 A46 V51 K54 E59 S60 M61 L116 F118 V130I43-F57 HydrophobicContact CG2-CE1 4.26Å; I43-F57 HydrophobicContact CG2-CZ 4.01Å; A46-F57 HydrophobicContact CB-CD1 3.96Å; A46-F57 HydrophobicContact CB-CD2 3.92Å; A46-F57 HydrophobicContact CB-CE1 3.8Å; A46-F57 HydrophobicContact CB-CE2 3.75Å; A46-F57 HydrophobicContact CB-CG 4.03Å; A46-F57 HydrophobicContact CB-CZ 3.69Å; V51-F57 HydrophobicContact CG2-CB 3.99Å; V51-F57 CarbonylContact O-C 3.58Å; V51-F57 WeakPolarHBondContact O-CB 3.48Å; K54-F57 HydrophobicContact CB-CD2 3.91Å; K54-F57 HydrophobicContact CD-CD2 4.08Å; K54-F57 HydrophobicContact CD-CE2 3.95Å; K54-F57 PolarHBondContact O-N 3.46Å; K54-F57 VanDerWaalsContact O-N 3.17Å; F57-E59 VanDerWaalsContact C-N 3.3Å; F57-E59 PolarHBondContact O-N 3.22Å; F57-S60 WeakPolarHBondContact O-CB 3.27Å; F57-S60 PolarHBondContact O-N 3.22Å; F57-S60 VanDerWaalsContact O-N 3.11Å; F57-M61 WeakPolarHBondContact O-CG 3.38Å; F57-M61 PolarHBondContact O-N 2.86Å; F57-L116 HydrophobicContact CB-CD1 3.92Å; F57-L116 HydrophobicContact CD1-CD1 4.19Å; F57-L116 HydrophobicContact CG-CD1 4.36Å; F57-F118 HydrophobicContact CD1-CZ 4.1Å; F57-V130 HydrophobicContact CE1-CG2 4.42Å
58K97Very high96.8Very high114 Ų11453 Ų5350%0.49626%0.26SS..Hα-helixtrans-57.7-44.3176.6-175.4-177.3-170.3171.40111.2V51 L52 K54 S60 M61 R62V51-K58 WeakPolarHBondContact O-CA 3.27Å; V51-K58 PolarHBondContact O-N 3.35Å; V51-K58 VanDerWaalsContact O-N 3.09Å; L52-K58 WeakPolarHBondContact O-CD 3.33Å; L52-K58 WeakPolarHBondContact O-CE 3.41Å; L52-K58 WeakPolarHBondContact O-CG 3.39Å; K54-K58 WeakPolarHBondContact O-CB 3.48Å; K54-K58 PolarHBondContact O-N 3.2Å; K58-S60 VanDerWaalsContact C-N 3.33Å; K58-M61 PolarHBondContact O-N 2.98Å; K58-R62 VanDerWaalsContact O-CB 3.26Å; K58-R62 WeakPolarHBondContact O-CB 3.44Å; K58-R62 PolarHBondContact O-N 2.96Å
59E96.1Very high96.8Very high62 Ų6253 Ų5329%0.2926%0.257SS..Hα-helixtrans-66.9-36.6178.4-178.662.3178.800112.1P55 F57 R62 R63P55-E59 VanDerWaalsContact O-CB 3.32Å; P55-E59 WeakPolarHBondContact O-CB 3.4Å; P55-E59 PolarHBondContact O-N 3.29Å; F57-E59 VanDerWaalsContact C-N 3.3Å; F57-E59 PolarHBondContact O-N 3.22Å; E59-R62 IonicContact OE1-CZ 3.86Å; E59-R62 IonicContact OE1-NE 4Å; E59-R62 IonicContact OE1-NH2 3.08Å; E59-R62 PolarHBondContact OE1-NH2 3.36Å; E59-R62 IonicContact OE2-CZ 3.4Å; E59-R62 IonicContact OE2-NE 2.81Å; E59-R62 PolarHBondContact OE2-NE 3.45Å; E59-R62 IonicContact OE2-NH2 3.76Å; E59-R62 PolarHBondContact OE2-NH2 2.7Å; E59-R62 VanDerWaalsContact OE2-NH2 3.12Å; E59-R63 WeakPolarHBondContact O-CB 3.47Å; E59-R63 WeakPolarHBondContact O-CG 3.42Å; E59-R63 PolarHBondContact O-N 3.08Å; E59-R63 IonicContact OE1-CZ 3.77Å; E59-R63 IonicContact OE1-NE 3.3Å; E59-R63 PolarHBondContact OE1-NE 2.97Å; E59-R63 IonicContact OE1-NH2 3.91Å; E59-R63 PolarHBondContact OE1-NH2 2.96Å
60S96.5Very high96.7Very high2 Ų251.2 Ų51.21%0.01425%0.25CS..Hα-helixtrans-64-49.7175.1-165.30000111.5L56 F57 K58 R62 R63 G64 R65 Y117L56-S60 PolarHBondContact O-N 3.08Å; F57-S60 WeakPolarHBondContact O-CB 3.27Å; F57-S60 PolarHBondContact O-N 3.22Å; F57-S60 VanDerWaalsContact O-N 3.11Å; K58-S60 VanDerWaalsContact C-N 3.33Å; S60-R62 PolarHBondContact O-N 3.4Å; S60-R63 PolarHBondContact O-N 2.7Å; S60-G64 PolarHBondContact O-N 3.23Å; S60-R65 WeakPolarHBondContact O-CB 3.29Å; S60-R65 PolarHBondContact O-N 2.91Å; S60-R65 VanDerWaalsContact OG-CB 3.27Å; S60-R65 WeakPolarHBondContact OG-CB 3.29Å; S60-R65 PolarHBondContact OG-O 3.06Å; S60-Y117 PolarHBondContact OG-O 3.04Å; S60-Y117 VanDerWaalsContact OG-O 3.08Å
61M97.4Very high96.7Very high1 Ų152.4 Ų52.41%0.00526%0.257CS..Hα-helixtrans-55.1-50.1174.1-74.5-67.7-74.800112V51 L52 F57 K58 R63 G64 R66 L116 W160 S168 V171 V172V51-M61 HydrophobicContact CG2-CG 3.91Å; V51-M61 HydrophobicContact CG2-SD 4.34Å; L52-M61 HydrophobicContact CD2-CB 4.25Å; L52-M61 HydrophobicContact CD2-CE 3.99Å; L52-M61 HydrophobicContact CD2-CG 4.23Å; F57-M61 WeakPolarHBondContact O-CG 3.38Å; F57-M61 PolarHBondContact O-N 2.86Å; K58-M61 PolarHBondContact O-N 2.98Å; M61-R63 VanDerWaalsContact C-N 3.27Å; M61-R63 PolarHBondContact O-N 3.03Å; M61-G64 PolarHBondContact O-N 3.12Å; M61-R66 HydrophobicContact SD-CG 4Å; M61-L116 HydrophobicContact CG-CD1 4.38Å; M61-L116 HydrophobicContact CG-CD2 3.98Å; M61-L116 HydrophobicContact SD-CD2 3.47Å; M61-L116 WeakPolarHBondContact SD-CD2 3.3Å; M61-W160 HydrophobicContact CE-CH2 3.89Å; M61-W160 HydrophobicContact CE-CZ3 4.12Å; M61-W160 HydrophobicContact SD-CH2 3.74Å; M61-W160 HydrophobicContact SD-CZ2 4.34Å; M61-S168 VanDerWaalsContact C-OG 3.24Å; M61-S168 PolarHBondContact O-OG 2.98Å; M61-V171 HydrophobicContact CE-CG2 3.99Å; M61-V172 HydrophobicContact CE-CG1 4.2Å
62R95.7Very high96.5Very high142 Ų14256.9 Ų56.954%0.53628%0.278SS..Hα-helixtrans-62.7-32.2-178.9-168.4-16567.675.7-0.6112.9K58 E59 S60 G64K58-R62 VanDerWaalsContact O-CB 3.26Å; K58-R62 WeakPolarHBondContact O-CB 3.44Å; K58-R62 PolarHBondContact O-N 2.96Å; E59-R62 IonicContact OE1-CZ 3.86Å; E59-R62 IonicContact OE1-NE 4Å; E59-R62 IonicContact OE1-NH2 3.08Å; E59-R62 PolarHBondContact OE1-NH2 3.36Å; E59-R62 IonicContact OE2-CZ 3.4Å; E59-R62 IonicContact OE2-NE 2.81Å; E59-R62 PolarHBondContact OE2-NE 3.45Å; E59-R62 IonicContact OE2-NH2 3.76Å; E59-R62 PolarHBondContact OE2-NH2 2.7Å; E59-R62 VanDerWaalsContact OE2-NH2 3.12Å; S60-R62 PolarHBondContact O-N 3.4Å; R62-G64 VanDerWaalsContact C-N 3.26Å; R62-G64 PolarHBondContact O-N 3.28Å
63R95.9Very high96.4Very high135 Ų13554.1 Ų54.151%0.50927%0.265SS..THydrogen-bonded Turntrans-83.22177.1-73.4-170.3-176-88.2-9.6113.8E59 S60 M61 R65E59-R63 WeakPolarHBondContact O-CB 3.47Å; E59-R63 WeakPolarHBondContact O-CG 3.42Å; E59-R63 PolarHBondContact O-N 3.08Å; E59-R63 IonicContact OE1-CZ 3.77Å; E59-R63 IonicContact OE1-NE 3.3Å; E59-R63 PolarHBondContact OE1-NE 2.97Å; E59-R63 IonicContact OE1-NH2 3.91Å; E59-R63 PolarHBondContact OE1-NH2 2.96Å; S60-R63 PolarHBondContact O-N 2.7Å; M61-R63 VanDerWaalsContact C-N 3.27Å; M61-R63 PolarHBondContact O-N 3.03Å; R63-R65 VanDerWaalsContact C-N 3.28Å; R63-R65 HydrophobicContact CB-CG 4.01Å; R63-R65 VanDerWaalsContact CD-CZ 3.43Å; R63-R65 PolarHBondContact O-N 3.45Å
64G95.8Very high96.4Very high12 Ų1251.3 Ų51.312%0.12424%0.242CC..THydrogen-bonded Turntrans6927.5-175.300000112.9S60 M61 R62 R66 C163S60-G64 PolarHBondContact O-N 3.23Å; M61-G64 PolarHBondContact O-N 3.12Å; R62-G64 VanDerWaalsContact C-N 3.26Å; R62-G64 PolarHBondContact O-N 3.28Å; G64-R66 PolarHBondContact O-N 3.01Å; G64-C163 VanDerWaalsContact C-SG 3.56Å; G64-C163 WeakPolarHBondContact CA-SG 3.35Å; G64-C163 PolarHBondContact O-SG 3.45Å
65R96.5Very high96.5Very high64 Ų6449.8 Ų49.824%0.24223%0.234CC..  trans-88.855.2179.5-64.4178.3-177.5162.7-2.1111.6S60 R63 L116 Y117S60-R65 WeakPolarHBondContact O-CB 3.29Å; S60-R65 PolarHBondContact O-N 2.91Å; S60-R65 VanDerWaalsContact OG-CB 3.27Å; S60-R65 WeakPolarHBondContact OG-CB 3.29Å; S60-R65 PolarHBondContact OG-O 3.06Å; R63-R65 VanDerWaalsContact C-N 3.28Å; R63-R65 HydrophobicContact CB-CG 4.01Å; R63-R65 VanDerWaalsContact CD-CZ 3.43Å; R63-R65 PolarHBondContact O-N 3.45Å; R65-L116 WeakPolarHBondContact O-CA 3.46Å; R65-Y117 VanDerWaalsContact C-CD1 3.41Å; R65-Y117 VanDerWaalsContact CA-CZ 3.49Å; R65-Y117 HydrophobicContact CB-CD1 4.08Å; R65-Y117 HydrophobicContact CB-CD2 4.06Å; R65-Y117 HydrophobicContact CB-CE1 3.87Å; R65-Y117 HydrophobicContact CB-CE2 3.81Å; R65-Y117 HydrophobicContact CB-CG 4.18Å; R65-Y117 WeakPolarHBondContact CB-O 3.26Å; R65-Y117 HydrophobicContact CG-CD2 4.26Å; R65-Y117 HydrophobicContact CG-CE1 4.44Å; R65-Y117 HydrophobicContact CG-CE2 3.67Å; R65-Y117 WeakPolarHBondContact O-CD1 3.29Å; R65-Y117 PolarHBondContact O-N 3.31Å
66R97.8Very high96.6Very high3 Ų346.7 Ų46.71%0.01121%0.21CC..EExtended strand (participates in β ladder)trans-100.9139.7-180-56.2-170.3-53.4-110.79109M61 G64 L116 Y117 N159 W160 D162 C163 F166M61-R66 HydrophobicContact SD-CG 4Å; G64-R66 PolarHBondContact O-N 3.01Å; R66-L116 HydrophobicContact CG-CD2 4.23Å; R66-Y117 WeakPolarHBondContact O-CE1 3.45Å; R66-N159 PolarHBondContact NH2-O 3.03Å; R66-W160 HydrophobicContact CB-CD2 4.47Å; R66-W160 HydrophobicContact CB-CZ2 4.05Å; R66-W160 HydrophobicContact CG-CH2 4.49Å; R66-W160 HydrophobicContact CG-CZ2 4.06Å; R66-W160 VanDerWaalsContact CZ-O 3.26Å; R66-W160 PolarHBondContact NE-O 3.17Å; R66-W160 PolarHBondContact NH2-O 2.95Å; R66-D162 PolarHBondContact NH2-O 3.11Å; R66-C163 PolarHBondContact NH2-SG 2.94Å; R66-C163 VanDerWaalsContact NH2-SG 3.45Å; R66-F166 PolarHBondContact NH1-O 2.85Å; R66-F166 PolarHBondContact NH2-O 3.14Å
67C98.1Very high96.7Very high0 Ų047 Ų470%021%0.207CC..EExtended strand (participates in β ladder)trans-136.6163.617659.40000111.2M1 V2 G115 Y117 W160M1-C67 HydrophobicContact CG-CB 4.4Å; V2-C67 VanDerWaalsContact O-CA 3.29Å; V2-C67 WeakPolarHBondContact O-CA 3.36Å; V2-C67 VanDerWaalsContact O-CB 3.26Å; V2-C67 WeakPolarHBondContact O-CB 3.28Å; C67-G115 PolarHBondContact N-O 2.77Å; C67-G115 PolarHBondContact O-N 3.16Å; C67-G115 VanDerWaalsContact SG-C 3.52Å; C67-Y117 HydrophobicContact CB-CD1 4Å; C67-W160 PolarHBondContact O-NE1 3.43Å
68A98.2Very high96.7Very high1 Ų150.3 Ų50.31%0.00822%0.219CC..EExtended strand (participates in β ladder)trans-109.6122.6168.200000109.3V2 P112 L113 L151 L161V2-A68 HydrophobicContact CB-CB 4.42Å; V2-A68 PolarHBondContact N-O 2.86Å; V2-A68 PolarHBondContact O-N 2.84Å; A68-P112 HydrophobicContact CB-CB 4.38Å; A68-L113 CarbonylContact C-O 3.59Å; A68-L113 WeakPolarHBondContact CA-O 3.25Å; A68-L151 HydrophobicContact CB-CD1 4.17Å; A68-L161 HydrophobicContact CB-CD1 4.5Å; A68-L161 HydrophobicContact CB-CD2 4.34Å
69I98.1Very high96.5Very high20 Ų2051.6 Ų51.610%0.10323%0.225CC..EExtended strand (participates in β ladder)trans-93.8116.6178.7-59.9165.8000107.4M1 P112 L113 I131M1-I69 HydrophobicContact CE-CD1 4.22Å; M1-I69 HydrophobicContact CE-CG1 3.8Å; M1-I69 HydrophobicContact CE-CG2 4.3Å; M1-I69 HydrophobicContact CG-CB 4.26Å; M1-I69 HydrophobicContact CG-CG1 3.6Å; M1-I69 HydrophobicContact SD-CD1 4.28Å; M1-I69 HydrophobicContact SD-CG1 3.66Å; I69-P112 CarbonylContact O-C 3.49Å; I69-P112 WeakPolarHBondContact O-CA 3.49Å; I69-L113 HydrophobicContact CB-CB 4.19Å; I69-L113 PolarHBondContact N-O 3.48Å; I69-L113 PolarHBondContact O-N 3.41Å; I69-I131 HydrophobicContact CD1-CB 4.35Å; I69-I131 HydrophobicContact CD1-CD1 4.44Å; I69-I131 HydrophobicContact CD1-CG1 3.38Å
70L96.4Very high96.1Very high69 Ų6951.3 Ų51.336%0.36123%0.23SC..EExtended strand (participates in β ladder)trans-88.7132.5-178.1-56.1179.8000109.6V2 L23 L110 P112V2-L70 HydrophobicContact CG2-CD1 3.69Å; V2-L70 HydrophobicContact CG2-CD2 4.42Å; V2-L70 HydrophobicContact CG2-CG 4.04Å; L23-L70 HydrophobicContact CD1-CD1 4.25Å; L70-L110 HydrophobicContact CD1-CD1 4.38Å; L70-P112 HydrophobicContact CD2-CB 4.08Å
71T95.8Very high95.6Very high41 Ų4157.9 Ų57.925%0.25227%0.27SS..EExtended strand (participates in β ladder)trans-148.5160.2174.2-172.90000110.9G73 M111 L113T71-G73 VanDerWaalsContact C-N 3.31Å; T71-G73 WeakPolarHBondContact CB-O 3.16Å; T71-G73 VanDerWaalsContact CG2-O 3.23Å; T71-G73 WeakPolarHBondContact CG2-O 3.26Å; T71-G73 PolarHBondContact OG1-N 2.82Å; T71-G73 PolarHBondContact OG1-O 3.27Å; T71-M111 HydrophobicContact CG2-CB 4.11Å; T71-M111 HydrophobicContact CG2-SD 4.44Å; T71-M111 PolarHBondContact N-O 2.97Å; T71-M111 VanDerWaalsContact N-O 3.15Å; T71-M111 WeakPolarHBondContact O-CB 3.36Å; T71-M111 PolarHBondContact O-N 2.99Å; T71-L113 HydrophobicContact CG2-CD1 3.96Å; T71-L113 HydrophobicContact CG2-CD2 4.45Å; T71-L113 HydrophobicContact CG2-CG 4.1Å
72Q93.7Very high95Very high95 Ų9562 Ų6244%0.44430%0.299SS..SBendtrans-77.3-23.2167.7-65.6172.3-73.200111.8F88 Y90 S108 L110Q72-F88 HydrophobicContact CB-CZ 4.34Å; Q72-Y90 WeakPolarHBondContact O-CB 3.16Å; Q72-S108 PolarHBondContact NE2-OG 3.46Å; Q72-L110 HydrophobicContact CG-CD2 4.39Å
73G96Very high94.8Very high5 Ų557 Ų575%0.05229%0.291CS..  trans176.2-170.9-176.900000111.8T71 I89T71-G73 VanDerWaalsContact C-N 3.31Å; T71-G73 WeakPolarHBondContact CB-O 3.16Å; T71-G73 VanDerWaalsContact CG2-O 3.23Å; T71-G73 WeakPolarHBondContact CG2-O 3.26Å; T71-G73 PolarHBondContact OG1-N 2.82Å; T71-G73 PolarHBondContact OG1-O 3.27Å; G73-I89 CarbonylContact C-O 3.59Å; G73-I89 WeakPolarHBondContact CA-O 3.36Å
74F97.3Very high94.7Very high24 Ų2456.6 Ų56.611%0.10529%0.293CS..EExtended strand (participates in β ladder)trans-138.6153.5172.763.4-83.6000110.7E76 I89 M111 I140 M147 P148 L181F74-E76 HydrophobicContact CD2-CB 4.48Å; F74-E76 HydrophobicContact CE2-CB 4.41Å; F74-I89 HydrophobicContact CD1-CB 4.21Å; F74-I89 HydrophobicContact CD1-CG2 4.4Å; F74-I89 HydrophobicContact CD2-CB 4.31Å; F74-I89 HydrophobicContact CD2-CD1 4.17Å; F74-I89 HydrophobicContact CE1-CB 3.83Å; F74-I89 HydrophobicContact CE1-CG2 3.59Å; F74-I89 HydrophobicContact CE2-CB 3.96Å; F74-I89 HydrophobicContact CE2-CD1 3.46Å; F74-I89 VanDerWaalsContact CE2-CD1 3.46Å; F74-I89 HydrophobicContact CE2-CG1 4.25Å; F74-I89 HydrophobicContact CE2-CG2 4.21Å; F74-I89 HydrophobicContact CG-CB 4.44Å; F74-I89 HydrophobicContact CZ-CB 3.7Å; F74-I89 HydrophobicContact CZ-CD1 3.8Å; F74-I89 HydrophobicContact CZ-CG1 4.35Å; F74-I89 HydrophobicContact CZ-CG2 3.47Å; F74-I89 VanDerWaalsContact CZ-CG2 3.47Å; F74-I89 PolarHBondContact N-O 3Å; F74-I89 PolarHBondContact O-N 3.06Å; F74-M111 HydrophobicContact CD1-CE 4.24Å; F74-M111 HydrophobicContact CD1-SD 4.04Å; F74-M111 HydrophobicContact CE1-CE 4.46Å; F74-M111 HydrophobicContact CE1-SD 4.25Å; F74-I140 HydrophobicContact CZ-CD1 4.24Å; F74-M147 HydrophobicContact CZ-CB 4.33Å; F74-P148 HydrophobicContact CD1-CG 4.09Å; F74-P148 HydrophobicContact CD2-CG 4.26Å; F74-P148 HydrophobicContact CE1-CG 4.27Å; F74-P148 HydrophobicContact CE2-CG 4.41Å; F74-P148 HydrophobicContact CG-CG 4.09Å; F74-P148 HydrophobicContact CZ-CG 4.42Å; F74-L181 HydrophobicContact CE1-CD1 4.34Å; F74-L181 HydrophobicContact CZ-CD1 4.31Å
75Y97.5Very high94.7Very high75 Ų7556.7 Ų56.729%0.29429%0.29SS..EExtended strand (participates in β ladder)trans-92.2142.2173.8-57.6-73000110.4Y87 F88 V186 V190 N200 I201Y75-Y87 VanDerWaalsContact CA-O 3.27Å; Y75-Y87 WeakPolarHBondContact CA-O 3.44Å; Y75-F88 HydrophobicContact CD1-CB 4.18Å; Y75-F88 AromaticContact CD1-CD2 3.88Å; Y75-F88 HydrophobicContact CD1-CD2 3.88Å; Y75-F88 HydrophobicContact CE1-CB 4.1Å; Y75-F88 AromaticContact CE1-CD2 3.56Å; Y75-F88 HydrophobicContact CE1-CD2 3.56Å; Y75-F88 HydrophobicContact CE1-CE2 4.4Å; Y75-F88 HydrophobicContact CE1-CG 4.2Å; Y75-V186 HydrophobicContact CD1-CG2 4.3Å; Y75-V186 HydrophobicContact CE1-CG2 4.42Å; Y75-V190 HydrophobicContact CD1-CG2 3.8Å; Y75-V190 HydrophobicContact CD2-CG2 3.77Å; Y75-V190 HydrophobicContact CE1-CG2 3.67Å; Y75-V190 HydrophobicContact CE2-CG2 3.63Å; Y75-V190 HydrophobicContact CG-CG2 3.83Å; Y75-N200 WeakPolarHBondContact CE1-O 3.41Å; Y75-N200 WeakPolarHBondContact OH-CB 3.49Å; Y75-I201 HydrophobicContact CE1-CG2 4.13Å; Y75-I201 WeakPolarHBondContact OH-CG2 3.24Å
76E97.9Very high94.7Very high43 Ų4353.6 Ų53.620%0.20128%0.279CS..EExtended strand (participates in β ladder)trans-144.9147.4170.3-169.853.4-94.300111.1F74 P86 Y87 I89 I143 H144F74-E76 HydrophobicContact CD2-CB 4.48Å; F74-E76 HydrophobicContact CE2-CB 4.41Å; E76-P86 CarbonylContact O-C 3.58Å; E76-P86 WeakPolarHBondContact O-CA 3.23Å; E76-Y87 PolarHBondContact N-O 2.99Å; E76-Y87 PolarHBondContact O-N 2.76Å; E76-I89 HydrophobicContact CB-CD1 3.77Å; E76-I143 HydrophobicContact CB-CG2 3.91Å; E76-I143 HydrophobicContact CG-CG2 3.81Å; E76-H144 VanDerWaalsContact CD-CD2 3.46Å; E76-H144 HydrophobicContact CG-CB 3.36Å; E76-H144 IonicContact OE1-CD2 2.97Å; E76-H144 PolarHBondContact OE1-CD2 2.87Å; E76-H144 VanDerWaalsContact OE1-CD2 3.3Å; E76-H144 IonicContact OE1-CG 3.8Å; E76-H144 IonicContact OE2-CD2 2.87Å; E76-H144 IonicContact OE2-CG 3.85Å
77W97.3Very high94.7Very high67 Ų6753.9 Ų53.925%0.25428%0.28SS..EExtended strand (participates in β ladder)trans-108.7111.2-173-76-100.9000111.4K79 K84 Q85 P86 V190 N191W77-K79 PolarHBondContact O-N 2.91Å; W77-K84 HydrophobicContact CB-CB 4.17Å; W77-K84 HydrophobicContact CB-CD 4.25Å; W77-K84 HydrophobicContact CG-CB 4.32Å; W77-K84 HydrophobicContact CG-CD 4.49Å; W77-Q85 WeakPolarHBondContact CA-O 3.44Å; W77-P86 HydrophobicContact CD2-CB 4.38Å; W77-P86 HydrophobicContact CG-CB 4.41Å; W77-P86 HydrophobicContact CZ2-CB 4.38Å; W77-V190 HydrophobicContact CZ2-CG1 3.96Å; W77-N191 VanDerWaalsContact CE2-OD1 3.31Å; W77-N191 WeakPolarHBondContact CZ2-OD1 3.48Å; W77-N191 PolarHBondContact NE1-OD1 3Å
78R96.3Very high94.7Very high81 Ų8154.7 Ų54.731%0.30628%0.283SS..EExtended strand (participates in β ladder)trans-68.1118.9167-175.4173.9174.8-156.5-5109.5K84 Q85 Y87 F142 I143R78-K84 WeakPolarHBondContact O-CA 3.49Å; R78-Q85 PolarHBondContact N-O 3.46Å; R78-Q85 PolarHBondContact O-N 2.74Å; R78-Y87 HydrophobicContact CB-CD2 4.09Å; R78-Y87 HydrophobicContact CB-CE2 3.7Å; R78-F142 WeakPolarHBondContact CD-O 3.23Å; R78-F142 WeakPolarHBondContact CG-O 3.4Å; R78-F142 PolarHBondContact NE-O 2.99Å; R78-I143 WeakPolarHBondContact CA-O 3.4Å; R78-I143 HydrophobicContact CB-CG2 4.2Å
79K93Very high94.6Very high142 Ų14254.7 Ų54.762%0.61728%0.283SS*.EExtended strand (participates in β ladder)trans-80.7132174.8-62.5172.3-171159.20109.6W77 K84W77-K79 PolarHBondContact O-N 2.91Å; K79-K84 HydrophobicContact CG-CG 4.39Å
80S87Confident94.5Very high56 Ų5656.5 Ų56.539%0.39229%0.289SS..EExtended strand (participates in β ladder)trans-131.4174.8171.1730000110.3S82 G83S80-S82 PolarHBondContact O-N 3.41Å; S80-S82 PolarHBondContact OG-N 3.46Å; S80-S82 PolarHBondContact OG-OG 2.82Å; S80-G83 PolarHBondContact N-O 2.95Å; S80-G83 PolarHBondContact O-N 2.64Å; S80-G83 VanDerWaalsContact O-O 3.13Å; S80-G83 PolarHBondContact OG-N 2.84Å; S80-G83 PolarHBondContact OG-O 3.47Å
81T86.6Confident94.4Very high140 Ų14053.7 Ų53.786%0.85927%0.274SS*.THydrogen-bonded Turntrans-64.7-25.7172.850.60000113.1
82S84.1Confident94.1Very high87 Ų8753.1 Ų53.161%0.60827%0.271SS*.THydrogen-bonded Turntrans-93.3-5.3-178.152.20000114S80S80-S82 PolarHBondContact O-N 3.41Å; S80-S82 PolarHBondContact OG-N 3.46Å; S80-S82 PolarHBondContact OG-OG 2.82Å
83G90.7Very high93.5Very high36 Ų3650.4 Ų50.437%0.37126%0.26SS..EExtended strand (participates in β ladder)trans143.7-144.9179.600000113S80S80-G83 PolarHBondContact N-O 2.95Å; S80-G83 PolarHBondContact O-N 2.64Å; S80-G83 VanDerWaalsContact O-O 3.13Å; S80-G83 PolarHBondContact OG-N 2.84Å; S80-G83 PolarHBondContact OG-O 3.47Å
84K94.3Very high92.4Very high127 Ų12756.2 Ų56.255%0.55229%0.29SS*.EExtended strand (participates in β ladder)trans-128.2125.7178.3-64.3-176.5-178177.20109.9W77 R78 K79W77-K84 HydrophobicContact CB-CB 4.17Å; W77-K84 HydrophobicContact CB-CD 4.25Å; W77-K84 HydrophobicContact CG-CB 4.32Å; W77-K84 HydrophobicContact CG-CD 4.49Å; R78-K84 WeakPolarHBondContact O-CA 3.49Å; K79-K84 HydrophobicContact CG-CG 4.39Å
85Q96.1Very high90.8Very high14 Ų1460.8 Ų60.87%0.06532%0.315CS..EExtended strand (participates in β ladder)trans-99.2115.3173.7177.35346.600109.4W77 R78 Y87 A185 V186W77-Q85 WeakPolarHBondContact CA-O 3.44Å; R78-Q85 PolarHBondContact N-O 3.46Å; R78-Q85 PolarHBondContact O-N 2.74Å; Q85-Y87 HydrophobicContact CB-CE2 4.11Å; Q85-Y87 HydrophobicContact CG-CD2 4.2Å; Q85-Y87 HydrophobicContact CG-CE2 3.58Å; Q85-Y87 WeakPolarHBondContact O-CD2 3.16Å; Q85-A185 HydrophobicContact CG-CB 4.4Å; Q85-V186 PolarHBondContact NE2-O 3.33Å
86P97Very high88.8Confident0 Ų060.4 Ų60.40%032%0.316CS..EExtended strand (participates in β ladder)trans-72.1141172.126.6-30.4000111.6E76 W77 V186 V190E76-P86 CarbonylContact O-C 3.58Å; E76-P86 WeakPolarHBondContact O-CA 3.23Å; W77-P86 HydrophobicContact CD2-CB 4.38Å; W77-P86 HydrophobicContact CG-CB 4.41Å; W77-P86 HydrophobicContact CZ2-CB 4.38Å; P86-V186 HydrophobicContact CB-CG2 3.74Å; P86-V186 HydrophobicContact CG-CG2 3.96Å; P86-V186 WeakPolarHBondContact CG-O 3.41Å; P86-V186 PolarHBondContact O-N 2.98Å; P86-V190 HydrophobicContact CB-CG1 3.75Å; P86-V190 HydrophobicContact CG-CG1 3.95Å
87Y97.7Very high86.7Confident9 Ų966.9 Ų66.94%0.03535%0.352CS..EExtended strand (participates in β ladder)trans-119.8144.2169.8-73.9-97.2000108.7Y75 E76 R78 Q85 I143 Y183 H184 A185 D206Y75-Y87 VanDerWaalsContact CA-O 3.27Å; Y75-Y87 WeakPolarHBondContact CA-O 3.44Å; E76-Y87 PolarHBondContact N-O 2.99Å; E76-Y87 PolarHBondContact O-N 2.76Å; R78-Y87 HydrophobicContact CB-CD2 4.09Å; R78-Y87 HydrophobicContact CB-CE2 3.7Å; Q85-Y87 HydrophobicContact CB-CE2 4.11Å; Q85-Y87 HydrophobicContact CG-CD2 4.2Å; Q85-Y87 HydrophobicContact CG-CE2 3.58Å; Q85-Y87 WeakPolarHBondContact O-CD2 3.16Å; Y87-I143 HydrophobicContact CD1-CD1 4.05Å; Y87-I143 HydrophobicContact CD2-CD1 4.21Å; Y87-I143 HydrophobicContact CD2-CG1 4.21Å; Y87-I143 HydrophobicContact CD2-CG2 3.96Å; Y87-I143 HydrophobicContact CG-CD1 3.79Å; Y87-I143 HydrophobicContact CG-CG1 4.29Å; Y87-I143 HydrophobicContact CG-CG2 4.37Å; Y87-Y183 HydrophobicContact CD1-CD2 4.03Å; Y87-Y183 HydrophobicContact CE1-CD2 4.32Å; Y87-H184 WeakPolarHBondContact CA-O 3.23Å; Y87-A185 HydrophobicContact CD1-CB 4.26Å; Y87-A185 HydrophobicContact CE1-CB 3.89Å; Y87-D206 PolarHBondContact OH-OD2 2.91Å
88F97.5Very high84.5Confident16 Ų1668.8 Ų68.87%0.0738%0.376CS..EExtended strand (participates in β ladder)trans-96.9128.2164-178.2-114.4000108.6Q72 Y75 Y90 Y183 H184 V186 I201Q72-F88 HydrophobicContact CB-CZ 4.34Å; Y75-F88 HydrophobicContact CD1-CB 4.18Å; Y75-F88 AromaticContact CD1-CD2 3.88Å; Y75-F88 HydrophobicContact CD1-CD2 3.88Å; Y75-F88 HydrophobicContact CE1-CB 4.1Å; Y75-F88 AromaticContact CE1-CD2 3.56Å; Y75-F88 HydrophobicContact CE1-CD2 3.56Å; Y75-F88 HydrophobicContact CE1-CE2 4.4Å; Y75-F88 HydrophobicContact CE1-CG 4.2Å; F88-Y90 AromaticContact CD1-CD1 3.54Å; F88-Y90 HydrophobicContact CD1-CD1 3.54Å; F88-Y90 HydrophobicContact CD1-CE1 4.13Å; F88-Y90 HydrophobicContact CD1-CG 4.33Å; F88-Y90 AromaticContact CE1-CD1 3.73Å; F88-Y90 HydrophobicContact CE1-CD1 3.73Å; F88-Y90 HydrophobicContact CE1-CG 4.05Å; F88-Y90 HydrophobicContact CG-CD1 4.49Å; F88-Y183 WeakPolarHBondContact O-CA 3.31Å; F88-H184 AromaticContact CD1-CE1 3.85Å; F88-H184 AromaticContact CD1-NE2 3.89Å; F88-H184 PolarHBondContact N-O 2.81Å; F88-H184 PolarHBondContact O-N 2.99Å; F88-H184 VanDerWaalsContact O-N 3.14Å; F88-V186 HydrophobicContact CB-CG1 3.65Å; F88-I201 HydrophobicContact CD1-CB 4.1Å; F88-I201 HydrophobicContact CD1-CG2 4.14Å; F88-I201 HydrophobicContact CD2-CG2 3.81Å; F88-I201 HydrophobicContact CE1-CB 4.22Å; F88-I201 HydrophobicContact CE1-CG2 4.1Å; F88-I201 HydrophobicContact CE2-CG2 3.75Å; F88-I201 HydrophobicContact CG-CB 4.29Å; F88-I201 HydrophobicContact CG-CG2 3.99Å; F88-I201 HydrophobicContact CZ-CG2 3.9Å
89I97Very high82.1Confident1 Ų170 Ų701%0.00538%0.383CS..EExtended strand (participates in β ladder)trans-121127.8-173.3-56.4167.9000108.6G73 F74 E76 I140 I143 L181 R182G73-I89 CarbonylContact C-O 3.59Å; G73-I89 WeakPolarHBondContact CA-O 3.36Å; F74-I89 HydrophobicContact CD1-CB 4.21Å; F74-I89 HydrophobicContact CD1-CG2 4.4Å; F74-I89 HydrophobicContact CD2-CB 4.31Å; F74-I89 HydrophobicContact CD2-CD1 4.17Å; F74-I89 HydrophobicContact CE1-CB 3.83Å; F74-I89 HydrophobicContact CE1-CG2 3.59Å; F74-I89 HydrophobicContact CE2-CB 3.96Å; F74-I89 HydrophobicContact CE2-CD1 3.46Å; F74-I89 VanDerWaalsContact CE2-CD1 3.46Å; F74-I89 HydrophobicContact CE2-CG1 4.25Å; F74-I89 HydrophobicContact CE2-CG2 4.21Å; F74-I89 HydrophobicContact CG-CB 4.44Å; F74-I89 HydrophobicContact CZ-CB 3.7Å; F74-I89 HydrophobicContact CZ-CD1 3.8Å; F74-I89 HydrophobicContact CZ-CG1 4.35Å; F74-I89 HydrophobicContact CZ-CG2 3.47Å; F74-I89 VanDerWaalsContact CZ-CG2 3.47Å; F74-I89 PolarHBondContact N-O 3Å; F74-I89 PolarHBondContact O-N 3.06Å; E76-I89 HydrophobicContact CB-CD1 3.77Å; I89-I140 HydrophobicContact CD1-CD1 4.47Å; I89-I140 HydrophobicContact CG2-CG2 4.34Å; I89-I143 HydrophobicContact CD1-CD1 3.99Å; I89-I143 HydrophobicContact CG1-CD1 4.3Å; I89-L181 HydrophobicContact CG2-CB 4Å; I89-L181 HydrophobicContact CG2-CD1 3.76Å; I89-L181 HydrophobicContact CG2-CD2 4.24Å; I89-L181 HydrophobicContact CG2-CG 4.21Å; I89-R182 WeakPolarHBondContact CA-O 3.22Å
90Y95.8Very high79.5Confident58 Ų5868.3 Ų68.323%0.22739%0.39CS..EExtended strand (participates in β ladder)trans-146.4162.9-169.556.4-79.7000112.5Q72 F88 M111 L181 R182 H184Q72-Y90 WeakPolarHBondContact O-CB 3.16Å; F88-Y90 AromaticContact CD1-CD1 3.54Å; F88-Y90 HydrophobicContact CD1-CD1 3.54Å; F88-Y90 HydrophobicContact CD1-CE1 4.13Å; F88-Y90 HydrophobicContact CD1-CG 4.33Å; F88-Y90 AromaticContact CE1-CD1 3.73Å; F88-Y90 HydrophobicContact CE1-CD1 3.73Å; F88-Y90 HydrophobicContact CE1-CG 4.05Å; F88-Y90 HydrophobicContact CG-CD1 4.49Å; Y90-M111 VanDerWaalsContact CA-CE 3.46Å; Y90-L181 WeakPolarHBondContact O-CD2 3.08Å; Y90-R182 HydrophobicContact CD1-CB 4.4Å; Y90-R182 HydrophobicContact CD2-CB 3.91Å; Y90-R182 HydrophobicContact CE1-CB 4.02Å; Y90-R182 HydrophobicContact CE2-CB 3.5Å; Y90-R182 HydrophobicContact CE2-CG 4.14Å; Y90-R182 HydrophobicContact CG-CB 4.34Å; Y90-R182 PolarHBondContact N-O 3.35Å; Y90-R182 PolarHBondContact O-N 2.91Å; Y90-H184 AromaticContact CE1-CE1 3.51Å; Y90-H184 AromaticContact CE1-ND1 3.35Å; Y90-H184 VanDerWaalsContact CE1-ND1 3.35Å; Y90-H184 WeakPolarHBondContact CE1-ND1 3.12Å; Y90-H184 AromaticContact CZ-ND1 3.78Å; Y90-H184 PolarHBondContact OH-ND1 3.02Å
91M93.2Very high77.3Confident11 Ų1170.3 Ų70.35%0.05441%0.409CS..PPolyproline II helixtrans-79.7144.5172.2-66.9-167.3-5000109.7K109 L110 M111 I150 Y178 L181M91-K109 HydrophobicContact CE-CD 4.21Å; M91-K109 HydrophobicContact CE-CG 3.97Å; M91-L110 WeakPolarHBondContact CE-O 3.21Å; M91-M111 HydrophobicContact CE-CB 3.91Å; M91-M111 HydrophobicContact CE-CG 4.18Å; M91-M111 HydrophobicContact CG-CB 4.26Å; M91-M111 HydrophobicContact CG-CE 4.05Å; M91-M111 HydrophobicContact CG-CG 3.9Å; M91-M111 HydrophobicContact SD-CB 4.36Å; M91-M111 HydrophobicContact SD-CG 3.97Å; M91-I150 HydrophobicContact SD-CG2 3.79Å; M91-Y178 HydrophobicContact CG-CE1 4.17Å; M91-Y178 HydrophobicContact SD-CE1 4.5Å; M91-L181 HydrophobicContact CG-CD2 4.34Å
92P89.7Confident74.9Confident29 Ų2969.1 Ų69.119%0.18841%0.405CS..PPolyproline II helixtrans-65.5145.6174.427.6-33.3000110.3S180 R182P92-S180 WeakPolarHBondContact CD-O 3.49Å; P92-S180 WeakPolarHBondContact CG-O 3.31Å; P92-R182 HydrophobicContact CB-CG 4.05Å
93D81.5Confident72.8Confident38 Ų3870 Ų7020%0.20341%0.411CS..PPolyproline II helixtrans-68.6149.3166.9-75.7-12.2000109.6D95 E96 K99 K109D93-D95 PolarHBondContact O-N 3.12Å; D93-E96 HydrophobicContact CB-CG 4.02Å; D93-K99 IonicContact OD2-NZ 2.76Å; D93-K99 PolarHBondContact OD2-NZ 2.69Å; D93-K109 PolarHBondContact OD1-N 3Å
94D72.8Confident70.7Confident127 Ų12771.8 Ų71.868%0.67942%0.415SS*.THydrogen-bonded Turntrans-65.4-19.6-178-66.1-46.3000112.8K109D94-K109 IonicContact OD1-NZ 3.3Å; D94-K109 PolarHBondContact OD1-NZ 3.37Å; D94-K109 IonicContact OD2-NZ 2.96Å; D94-K109 PolarHBondContact OD2-NZ 2.87Å
95D64.1Low68.4Low119 Ų11972.3 Ų72.364%0.63642%0.419SS*.THydrogen-bonded Turntrans-126.642-176.4-65.2-49.2000113.4D93 D97 S98D93-D95 PolarHBondContact O-N 3.12Å; D95-D97 PolarHBondContact O-N 2.91Å; D95-S98 PolarHBondContact O-N 3.02Å
96E54.7Low66Low67 Ų6777.3 Ų77.331%0.31345%0.454SS..G310 helixtrans-59-30.2-178.9-84-160154.600113.9D93 S98 K99 R182D93-E96 HydrophobicContact CB-CG 4.02Å; E96-S98 PolarHBondContact O-N 3.41Å; E96-S98 VanDerWaalsContact O-N 3.13Å; E96-K99 PolarHBondContact O-N 3.07Å; E96-R182 IonicContact OE2-CZ 3.27Å; E96-R182 IonicContact OE2-NE 2.7Å; E96-R182 PolarHBondContact OE2-NE 3.46Å; E96-R182 IonicContact OE2-NH2 3.77Å; E96-R182 PolarHBondContact OE2-NH2 3.29Å
97D54.5Low64Low180 Ų18083.1 Ų83.196%0.96349%0.486SS*.G310 helixtrans-66-15.9178.1-72.4-32.8000113D95D95-D97 PolarHBondContact O-N 2.91Å
98S50.9Low62.4Low107 Ų10784.6 Ų84.675%0.74850%0.497SS*.G310 helixtrans-99.7-12.7-179.5-119.30000114.2D95 E96 S100D95-S98 PolarHBondContact O-N 3.02Å; E96-S98 PolarHBondContact O-N 3.41Å; E96-S98 VanDerWaalsContact O-N 3.13Å; S98-S100 PolarHBondContact O-N 2.88Å
99K46.7Very low61.7Low106 Ų10687.6 Ų87.646%0.46151%0.51SS..  trans-96.775.7-179-69.1-170.9-174.2172.30111.4D93 E96 A101D93-K99 IonicContact OD2-NZ 2.76Å; D93-K99 PolarHBondContact OD2-NZ 2.69Å; E96-K99 PolarHBondContact O-N 3.07Å; K99-A101 PolarHBondContact O-N 3.1Å
100S38.3Very low61.5Low107 Ų10792 Ų9275%0.74853%0.533SS*.  trans-66.2107.4164.9166.40000110.8S98 C102S98-S100 PolarHBondContact O-N 2.88Å; S100-C102 PolarHBondContact O-N 2.76Å; S100-C102 VanDerWaalsContact O-N 3.08Å
101A41.3Very low61.4Low97 Ų9789.3 Ų89.380%0.80252%0.523SS*.SBendtrans57.721.914800000120.6K99K99-A101 PolarHBondContact O-N 3.1Å
102C35.8Very low61.6Low116 Ų11689.6 Ų89.678%0.78453%0.526SS*.  trans-132.6116.1173.5-84.70000113.1S100S100-C102 PolarHBondContact O-N 2.76Å; S100-C102 VanDerWaalsContact O-N 3.08Å
103S39.1Very low62Low105 Ų10588.5 Ų88.573%0.73452%0.518SS*.  trans53.4110.4153.7-440000118E105S103-E105 PolarHBondContact O-N 2.85Å
104V47Very low62.9Low73 Ų7386.7 Ų86.744%0.44251%0.508SS..SBendtrans-59.87.7176-179.60000114.2S108 I201V104-S108 PolarHBondContact O-OG 2.83Å; V104-I201 HydrophobicContact CG1-CD1 3.78Å
105E45.7Very low64.1Low139 Ų13980.6 Ų80.665%0.6548%0.476SS*.SBendtrans-97.1-3.7-150.7-65.2-128.9139.100118.1S103S103-E105 PolarHBondContact O-N 2.85Å
106C45.8Very low65.7Low118 Ų11875 Ų7580%0.79745%0.446SS*.SBendtrans-133.3-22.9-178.6-980000119.5
107D54.1Low67.7Low123 Ų12373.1 Ų73.166%0.65844%0.436SS*.  trans-133.837.1-172.4-69.4-42000113.2K109D107-K109 PolarHBondContact O-N 2.94Å
108S64.2Low69.7Low39 Ų3965.3 Ų65.327%0.27339%0.393SS..PPolyproline II helixtrans-67.9120.9176.1-25.20000109.6Q72 V104 L110Q72-S108 PolarHBondContact NE2-OG 3.46Å; V104-S108 PolarHBondContact O-OG 2.83Å; S108-L110 PolarHBondContact O-N 2.96Å
109K83.8Confident71.7Confident79 Ų7963.5 Ų63.534%0.34338%0.379SS..PPolyproline II helixtrans-56122175.8-171.6170-176.31560111M91 D93 D94 D107M91-K109 HydrophobicContact CE-CD 4.21Å; M91-K109 HydrophobicContact CE-CG 3.97Å; D93-K109 PolarHBondContact OD1-N 3Å; D94-K109 IonicContact OD1-NZ 3.3Å; D94-K109 PolarHBondContact OD1-NZ 3.37Å; D94-K109 IonicContact OD2-NZ 2.96Å; D94-K109 PolarHBondContact OD2-NZ 2.87Å; D107-K109 PolarHBondContact O-N 2.94Å
110L91.7Very high73.7Confident95 Ų9560.3 Ų60.350%0.49737%0.365SS..PPolyproline II helixtrans-66.8136.9175.5-71.3179.4000110.7L70 Q72 M91 S108 P112L70-L110 HydrophobicContact CD1-CD1 4.38Å; Q72-L110 HydrophobicContact CG-CD2 4.39Å; M91-L110 WeakPolarHBondContact CE-O 3.21Å; S108-L110 PolarHBondContact O-N 2.96Å; L110-P112 VanDerWaalsContact O-CD 3.32Å; L110-P112 WeakPolarHBondContact O-CD 3.39Å
111M95Very high75.8Confident0 Ų064.2 Ų64.20%037%0.369CS..EExtended strand (participates in β ladder)trans-101.5105.7176.2-172-165.6-48.800110.3T71 F74 Y90 M91 L113 I150 L181T71-M111 HydrophobicContact CG2-CB 4.11Å; T71-M111 HydrophobicContact CG2-SD 4.44Å; T71-M111 PolarHBondContact N-O 2.97Å; T71-M111 VanDerWaalsContact N-O 3.15Å; T71-M111 WeakPolarHBondContact O-CB 3.36Å; T71-M111 PolarHBondContact O-N 2.99Å; F74-M111 HydrophobicContact CD1-CE 4.24Å; F74-M111 HydrophobicContact CD1-SD 4.04Å; F74-M111 HydrophobicContact CE1-CE 4.46Å; F74-M111 HydrophobicContact CE1-SD 4.25Å; Y90-M111 VanDerWaalsContact CA-CE 3.46Å; M91-M111 HydrophobicContact CE-CB 3.91Å; M91-M111 HydrophobicContact CE-CG 4.18Å; M91-M111 HydrophobicContact CG-CB 4.26Å; M91-M111 HydrophobicContact CG-CE 4.05Å; M91-M111 HydrophobicContact CG-CG 3.9Å; M91-M111 HydrophobicContact SD-CB 4.36Å; M91-M111 HydrophobicContact SD-CG 3.97Å; M111-L113 HydrophobicContact CG-CD2 3.79Å; M111-L113 HydrophobicContact SD-CD2 3.56Å; M111-L113 VanDerWaalsContact SD-CD2 3.56Å; M111-I150 HydrophobicContact CE-CD1 4.49Å; M111-I150 HydrophobicContact CG-CD1 4.02Å; M111-I150 HydrophobicContact CG-CG1 4Å; M111-I150 HydrophobicContact CG-CG2 3.98Å; M111-I150 HydrophobicContact SD-CD1 3.48Å; M111-I150 WeakPolarHBondContact SD-CD1 3.19Å; M111-I150 HydrophobicContact SD-CG1 3.8Å; M111-L181 HydrophobicContact CE-CD2 4.41Å
112P97.3Very high77.6Confident18 Ų1867.8 Ų67.812%0.11738%0.375CS..EExtended strand (participates in β ladder)trans-78.8119.8173.131.4-34.3000110.4A68 I69 L70 L110 L151 V157A68-P112 HydrophobicContact CB-CB 4.38Å; I69-P112 CarbonylContact O-C 3.49Å; I69-P112 WeakPolarHBondContact O-CA 3.49Å; L70-P112 HydrophobicContact CD2-CB 4.08Å; L110-P112 VanDerWaalsContact O-CD 3.32Å; L110-P112 WeakPolarHBondContact O-CD 3.39Å; P112-L151 HydrophobicContact CB-CB 4.34Å; P112-L151 HydrophobicContact CG-CB 4.14Å; P112-L151 WeakPolarHBondContact CG-O 3.43Å; P112-L151 PolarHBondContact O-N 3.38Å; P112-V157 HydrophobicContact CB-CG2 3.97Å; P112-V157 HydrophobicContact CG-CG2 3.71Å
113L98.6Very high79.5Confident5 Ų567.5 Ų67.53%0.02636%0.36CS..EExtended strand (participates in β ladder)trans-98136.8174.7-45.6-179.9000110A68 I69 T71 M111 G115 I131 P148 A149 I150A68-L113 CarbonylContact C-O 3.59Å; A68-L113 WeakPolarHBondContact CA-O 3.25Å; I69-L113 HydrophobicContact CB-CB 4.19Å; I69-L113 PolarHBondContact N-O 3.48Å; I69-L113 PolarHBondContact O-N 3.41Å; T71-L113 HydrophobicContact CG2-CD1 3.96Å; T71-L113 HydrophobicContact CG2-CD2 4.45Å; T71-L113 HydrophobicContact CG2-CG 4.1Å; M111-L113 HydrophobicContact CG-CD2 3.79Å; M111-L113 HydrophobicContact SD-CD2 3.56Å; M111-L113 VanDerWaalsContact SD-CD2 3.56Å; L113-G115 PolarHBondContact O-N 2.86Å; L113-I131 HydrophobicContact CB-CG2 4.47Å; L113-I131 HydrophobicContact CD1-CD1 4.09Å; L113-I131 HydrophobicContact CD1-CG2 4.36Å; L113-P148 HydrophobicContact CB-CB 4.49Å; L113-P148 HydrophobicContact CD1-CB 3.94Å; L113-P148 HydrophobicContact CD1-CG 4.22Å; L113-P148 HydrophobicContact CD2-CB 3.73Å; L113-P148 HydrophobicContact CD2-CG 4.5Å; L113-P148 HydrophobicContact CG-CB 4.27Å; L113-A149 CarbonylContact C-O 3.46Å; L113-A149 WeakPolarHBondContact CA-O 3.39Å; L113-I150 HydrophobicContact CD2-CG1 3.82Å
114A98.8Very high81.6Confident0 Ų068.2 Ų68.20%037%0.365CS..EExtended strand (participates in β ladder)trans-66.612717300000110.2I132 A149 L151 W160 L175A114-I132 HydrophobicContact CB-CB 4.37Å; A114-I132 HydrophobicContact CB-CD1 4.32Å; A114-I132 WeakPolarHBondContact O-CB 3.37Å; A114-I132 PolarHBondContact O-N 3.23Å; A114-A149 HydrophobicContact CB-CB 4.07Å; A114-A149 PolarHBondContact N-O 3.47Å; A114-L151 HydrophobicContact CB-CD1 4.27Å; A114-L151 HydrophobicContact CB-CD2 4.05Å; A114-L151 HydrophobicContact CB-CG 4.08Å; A114-W160 HydrophobicContact CB-CD2 4.44Å; A114-W160 HydrophobicContact CB-CZ2 4.05Å; A114-L175 HydrophobicContact CB-CD2 3.57Å
115G98.6Very high83.4Confident0 Ų066.2 Ų66.20%035%0.353CS..EExtended strand (participates in β ladder)trans-134.6165.8179.100000113.3C67 L113 V130C67-G115 PolarHBondContact N-O 2.77Å; C67-G115 PolarHBondContact O-N 3.16Å; C67-G115 VanDerWaalsContact SG-C 3.52Å; L113-G115 PolarHBondContact O-N 2.86Å; G115-V130 CarbonylContact C-O 3.37Å; G115-V130 WeakPolarHBondContact CA-O 3.4Å
116L98.2Very high85.4Confident0 Ų062.1 Ų62.10%034%0.343CS..EExtended strand (participates in β ladder)trans-119.7146.5168.6-56.2176.3000109.3V51 F57 M61 R65 R66 F118 S129 V130 I132 W160V51-L116 HydrophobicContact CG2-CD1 3.8Å; F57-L116 HydrophobicContact CB-CD1 3.92Å; F57-L116 HydrophobicContact CD1-CD1 4.19Å; F57-L116 HydrophobicContact CG-CD1 4.36Å; M61-L116 HydrophobicContact CG-CD1 4.38Å; M61-L116 HydrophobicContact CG-CD2 3.98Å; M61-L116 HydrophobicContact SD-CD2 3.47Å; M61-L116 WeakPolarHBondContact SD-CD2 3.3Å; R65-L116 WeakPolarHBondContact O-CA 3.46Å; R66-L116 HydrophobicContact CG-CD2 4.23Å; L116-F118 HydrophobicContact CB-CE2 4.01Å; L116-F118 HydrophobicContact CB-CZ 4.21Å; L116-S129 CarbonylContact O-C 3.57Å; L116-S129 WeakPolarHBondContact O-CA 3.03Å; L116-V130 HydrophobicContact CB-CG2 3.97Å; L116-V130 PolarHBondContact N-O 3.19Å; L116-V130 PolarHBondContact O-N 3.47Å; L116-I132 HydrophobicContact CD2-CD1 4.2Å; L116-I132 HydrophobicContact CG-CD1 4.1Å; L116-I132 HydrophobicContact CG-CG1 4.31Å; L116-W160 HydrophobicContact CD2-CZ2 4.31Å
117Y97.2Very high87.7Confident29 Ų2960.2 Ų60.211%0.11432%0.32CS..EExtended strand (participates in β ladder)trans-119.7156.7175.871.1-95.7000113.1S3 M26 S60 R65 R66 C67 Y127 T128S3-Y117 WeakPolarHBondContact OG-CE1 3.46Å; M26-Y117 HydrophobicContact CE-CD1 4.31Å; M26-Y117 HydrophobicContact CE-CG 4.13Å; M26-Y117 VanDerWaalsContact SD-CB 3.56Å; M26-Y117 HydrophobicContact SD-CG 4.22Å; S60-Y117 PolarHBondContact OG-O 3.04Å; S60-Y117 VanDerWaalsContact OG-O 3.08Å; R65-Y117 VanDerWaalsContact C-CD1 3.41Å; R65-Y117 VanDerWaalsContact CA-CZ 3.49Å; R65-Y117 HydrophobicContact CB-CD1 4.08Å; R65-Y117 HydrophobicContact CB-CD2 4.06Å; R65-Y117 HydrophobicContact CB-CE1 3.87Å; R65-Y117 HydrophobicContact CB-CE2 3.81Å; R65-Y117 HydrophobicContact CB-CG 4.18Å; R65-Y117 WeakPolarHBondContact CB-O 3.26Å; R65-Y117 HydrophobicContact CG-CD2 4.26Å; R65-Y117 HydrophobicContact CG-CE1 4.44Å; R65-Y117 HydrophobicContact CG-CE2 3.67Å; R65-Y117 WeakPolarHBondContact O-CD1 3.29Å; R65-Y117 PolarHBondContact O-N 3.31Å; R66-Y117 WeakPolarHBondContact O-CE1 3.45Å; C67-Y117 HydrophobicContact CB-CD1 4Å; Y117-Y127 AromaticContact CD2-CD1 3.72Å; Y117-Y127 HydrophobicContact CD2-CD1 3.72Å; Y117-Y127 HydrophobicContact CD2-CE1 4.12Å; Y117-Y127 HydrophobicContact CD2-CG 4.35Å; Y117-Y127 HydrophobicContact CE2-CD1 4.15Å; Y117-Y127 HydrophobicContact CE2-CE1 4.07Å; Y117-T128 CarbonylContact C-O 3.27Å; Y117-T128 VanDerWaalsContact CA-O 3.23Å; Y117-T128 WeakPolarHBondContact CA-O 3.29Å
118F95.3Very high89.7Confident15 Ų1554.6 Ų54.67%0.06629%0.29CS..EExtended strand (participates in β ladder)trans-137.9129.7-174.4-56.7-95.4000109.5L30 L56 F57 L116 Y127 T128 V130L30-F118 HydrophobicContact CD1-CB 4.06Å; L30-F118 HydrophobicContact CD1-CD2 4.43Å; L30-F118 HydrophobicContact CD1-CG 4.12Å; L30-F118 HydrophobicContact CD2-CD1 4.13Å; L30-F118 HydrophobicContact CD2-CD2 4.09Å; L30-F118 HydrophobicContact CD2-CE1 4.18Å; L30-F118 HydrophobicContact CD2-CE2 4.15Å; L30-F118 HydrophobicContact CD2-CG 4.11Å; L30-F118 HydrophobicContact CD2-CZ 4.2Å; L56-F118 HydrophobicContact CD1-CD1 4.17Å; L56-F118 HydrophobicContact CD1-CE1 3.74Å; L56-F118 HydrophobicContact CG-CE1 3.97Å; L56-F118 HydrophobicContact CG-CZ 4.4Å; F57-F118 HydrophobicContact CD1-CZ 4.1Å; L116-F118 HydrophobicContact CB-CE2 4.01Å; L116-F118 HydrophobicContact CB-CZ 4.21Å; F118-Y127 VanDerWaalsContact O-CA 3.31Å; F118-Y127 WeakPolarHBondContact O-CA 3.39Å; F118-T128 HydrophobicContact CB-CG2 3.84Å; F118-T128 PolarHBondContact N-O 3.08Å; F118-T128 PolarHBondContact O-N 3.24Å; F118-V130 HydrophobicContact CE2-CG1 4.06Å; F118-V130 HydrophobicContact CE2-CG2 3.92Å
119P92.8Very high91.3Very high69 Ų6952.7 Ų52.745%0.44828%0.277SS..EExtended strand (participates in β ladder)trans-68.1137.9175.828.8-33.8000110.6Y127P119-Y127 HydrophobicContact CB-CD1 4.31Å; P119-Y127 HydrophobicContact CB-CE1 4.19Å
120K88.7Confident92Very high40 Ų4049 Ų4917%0.17426%0.26CS..PPolyproline II helixtrans-98141.7171-67.1171.664.2-165.10109E27 D122 K123 P125 A126 T128E27-K120 IonicContact OE2-NZ 2.74Å; E27-K120 PolarHBondContact OE2-NZ 2.94Å; K120-D122 PolarHBondContact O-N 2.86Å; K120-K123 HydrophobicContact CB-CB 4.18Å; K120-P125 WeakPolarHBondContact CD-O 3.04Å; K120-P125 PolarHBondContact NZ-O 3.45Å; K120-A126 PolarHBondContact N-O 3.38Å; K120-T128 HydrophobicContact CD-CG2 4.46Å; K120-T128 HydrophobicContact CG-CG2 4.23Å
121K83.3Confident92.3Very high189 Ų18945.2 Ų45.282%0.82224%0.241SC*.SBendtrans-76.4120.1170.6-68.4-173.7178.6-176.30108.8K123K121-K123 PolarHBondContact O-N 3.39Å
122D78.1Confident92.5Very high172 Ų17245.2 Ų45.292%0.9224%0.241SC*.SBendtrans51.331.2166.1-48.5-41.6000115.7K120K120-D122 PolarHBondContact O-N 2.86Å
123K76Confident92.5Very high110 Ų11045 Ų4548%0.47824%0.239SC..  trans-121.3146.2176.2-72.2-175.2177.3-171.30109.6E31 K120 K121 P125 A126E31-K123 IonicContact OE2-NZ 3.82Å; E31-K123 PolarHBondContact OE2-NZ 3.31Å; K120-K123 HydrophobicContact CB-CB 4.18Å; K121-K123 PolarHBondContact O-N 3.39Å; K123-P125 CarbonylContact C-O 3.48Å; K123-P125 CarbonylContact O-C 3.32Å; K123-P125 VanDerWaalsContact O-C 3.27Å; K123-A126 WeakPolarHBondContact O-CA 3.25Å; K123-A126 PolarHBondContact O-N 2.85Å
124S82.9Confident92.5Very high119 Ų11944.9 Ų44.983%0.83224%0.239SC*.SBendtrans-102.3133.8166.1-1730000109.3
125P85Confident92.5Very high31 Ų3149.2 Ų49.220%0.20126%0.262CS..SBendcis-64.8153.9-6.929.1-35.3000111.7E27 K120 K123 Y127E27-P125 HydrophobicContact CB-CG 3.8Å; K120-P125 WeakPolarHBondContact CD-O 3.04Å; K120-P125 PolarHBondContact NZ-O 3.45Å; K123-P125 CarbonylContact C-O 3.48Å; K123-P125 CarbonylContact O-C 3.32Å; K123-P125 VanDerWaalsContact O-C 3.27Å; P125-Y127 PolarHBondContact O-N 3.45Å
126A88.7Confident92.5Very high53 Ų5349.8 Ų49.844%0.43827%0.266SS..SBendtrans-67.2-15.8-17500000113.7K120 K123K120-A126 PolarHBondContact N-O 3.38Å; K123-A126 WeakPolarHBondContact O-CA 3.25Å; K123-A126 PolarHBondContact O-N 2.85Å
127Y94.6Very high92.4Very high79 Ų7950 Ų5031%0.3127%0.267SS..EExtended strand (participates in β ladder)trans-129.2146-176.8-58.5-75.5000110.9V24 M26 E27 Y117 F118 P119 P125V24-Y127 HydrophobicContact CG1-CD2 4.34Å; M26-Y127 WeakPolarHBondContact CA-O 3.41Å; E27-Y127 PolarHBondContact N-O 3.46Å; Y117-Y127 AromaticContact CD2-CD1 3.72Å; Y117-Y127 HydrophobicContact CD2-CD1 3.72Å; Y117-Y127 HydrophobicContact CD2-CE1 4.12Å; Y117-Y127 HydrophobicContact CD2-CG 4.35Å; Y117-Y127 HydrophobicContact CE2-CD1 4.15Å; Y117-Y127 HydrophobicContact CE2-CE1 4.07Å; F118-Y127 VanDerWaalsContact O-CA 3.31Å; F118-Y127 WeakPolarHBondContact O-CA 3.39Å; P119-Y127 HydrophobicContact CB-CD1 4.31Å; P119-Y127 HydrophobicContact CB-CE1 4.19Å; P125-Y127 PolarHBondContact O-N 3.45Å
128T95.1Very high92.4Very high4 Ų454 Ų543%0.02530%0.296CS..EExtended strand (participates in β ladder)trans-110.9160.1160.1-179.70000109.8E27 G29 L30 Y117 F118 K120E27-T128 CarbonylContact O-C 3.48Å; E27-T128 VanDerWaalsContact O-CA 3.23Å; E27-T128 WeakPolarHBondContact O-CA 3.35Å; E27-T128 PolarHBondContact O-OG1 3.26Å; G29-T128 PolarHBondContact O-OG1 2.86Å; L30-T128 HydrophobicContact CB-CG2 4.1Å; L30-T128 HydrophobicContact CD1-CG2 3.49Å; L30-T128 VanDerWaalsContact CD1-CG2 3.49Å; L30-T128 HydrophobicContact CG-CG2 4.39Å; L30-T128 PolarHBondContact N-OG1 3.17Å; Y117-T128 CarbonylContact C-O 3.27Å; Y117-T128 VanDerWaalsContact CA-O 3.23Å; Y117-T128 WeakPolarHBondContact CA-O 3.29Å; F118-T128 HydrophobicContact CB-CG2 3.84Å; F118-T128 PolarHBondContact N-O 3.08Å; F118-T128 PolarHBondContact O-N 3.24Å; K120-T128 HydrophobicContact CD-CG2 4.46Å; K120-T128 HydrophobicContact CG-CG2 4.23Å
129S97.2Very high92.3Very high0 Ų055 Ų550%031%0.312CS..EExtended strand (participates in β ladder)trans-137.3156.8-173.563.30000111.8M1 E27 G29 L116M1-S129 WeakPolarHBondContact CE-OG 3.43Å; M1-S129 WeakPolarHBondContact SD-CB 3.5Å; M1-S129 PolarHBondContact SD-OG 2.61Å; E27-S129 PolarHBondContact O-N 3.33Å; E27-S129 PolarHBondContact O-OG 3.04Å; G29-S129 PolarHBondContact N-O 3Å; L116-S129 CarbonylContact O-C 3.57Å; L116-S129 WeakPolarHBondContact O-CA 3.03Å
130V98.1Very high92.5Very high0 Ų051.9 Ų51.90%029%0.291CS..EExtended strand (participates in β ladder)trans-134.2145.4172.3-52.40000109.5L30 I43 I44 A46 F57 G115 L116 F118L30-V130 HydrophobicContact CB-CG1 4Å; I43-V130 HydrophobicContact CG2-CG1 4.29Å; I43-V130 WeakPolarHBondContact O-CG1 3.48Å; I44-V130 WeakPolarHBondContact O-CA 3.5Å; A46-V130 HydrophobicContact CB-CG2 4.01Å; F57-V130 HydrophobicContact CE1-CG2 4.42Å; G115-V130 CarbonylContact C-O 3.37Å; G115-V130 WeakPolarHBondContact CA-O 3.4Å; L116-V130 HydrophobicContact CB-CG2 3.97Å; L116-V130 PolarHBondContact N-O 3.19Å; L116-V130 PolarHBondContact O-N 3.47Å; F118-V130 HydrophobicContact CE2-CG1 4.06Å; F118-V130 HydrophobicContact CE2-CG2 3.92Å
131I98.8Very high92.9Very high16 Ų1655.7 Ų55.78%0.08231%0.309CS..EExtended strand (participates in β ladder)trans-85.5136.1175.5-65.7167.1000109W28 I44 N45 A46 I69 L113 P148W28-I131 HydrophobicContact CH2-CD1 4.41Å; W28-I131 HydrophobicContact CZ2-CD1 3.61Å; I44-I131 PolarHBondContact O-N 2.9Å; N45-I131 CarbonylContact C-O 3.46Å; N45-I131 WeakPolarHBondContact CA-O 3.24Å; A46-I131 PolarHBondContact N-O 2.83Å; I69-I131 HydrophobicContact CD1-CB 4.35Å; I69-I131 HydrophobicContact CD1-CD1 4.44Å; I69-I131 HydrophobicContact CD1-CG1 3.38Å; L113-I131 HydrophobicContact CB-CG2 4.47Å; L113-I131 HydrophobicContact CD1-CD1 4.09Å; L113-I131 HydrophobicContact CD1-CG2 4.36Å; I131-P148 HydrophobicContact CG2-CB 3.92Å; I131-P148 HydrophobicContact CG2-CG 4.41Å
132I98.8Very high93.5Very high0 Ų050.6 Ų50.60%029%0.287CS..EExtended strand (participates in β ladder)trans-81.1135.9170.3-60.1176.2000109A46 A48 V51 A114 L116 A149 W160 L175A46-I132 HydrophobicContact CB-CG1 4.49Å; A46-I132 CarbonylContact O-C 3.57Å; A46-I132 VanDerWaalsContact O-CA 3.3Å; A46-I132 WeakPolarHBondContact O-CA 3.09Å; A48-I132 HydrophobicContact CB-CG2 3.91Å; V51-I132 HydrophobicContact CG2-CD1 4.24Å; A114-I132 HydrophobicContact CB-CB 4.37Å; A114-I132 HydrophobicContact CB-CD1 4.32Å; A114-I132 WeakPolarHBondContact O-CB 3.37Å; A114-I132 PolarHBondContact O-N 3.23Å; L116-I132 HydrophobicContact CD2-CD1 4.2Å; L116-I132 HydrophobicContact CG-CD1 4.1Å; L116-I132 HydrophobicContact CG-CG1 4.31Å; I132-A149 HydrophobicContact CB-CB 4.35Å; I132-A149 HydrophobicContact CG2-CB 4.21Å; I132-A149 PolarHBondContact O-N 3.3Å; I132-W160 HydrophobicContact CD1-CH2 3.5Å; I132-W160 HydrophobicContact CD1-CZ2 3.53Å; I132-L175 HydrophobicContact CB-CD2 4.41Å; I132-L175 HydrophobicContact CD1-CD1 4.15Å; I132-L175 HydrophobicContact CD1-CD2 4Å; I132-L175 HydrophobicContact CG2-CD1 4.12Å; I132-L175 HydrophobicContact CG2-CD2 4Å
133T98.8Very high94.4Very high13 Ų1342.8 Ų42.88%0.0825%0.246CC..EExtended strand (participates in β ladder)trans-118.7145.1-179.156.60000111.1N45 A46 A48 R146 M147N45-T133 HydrophobicContact CB-CG2 3.92Å; A46-T133 PolarHBondContact O-N 3.44Å; A46-T133 PolarHBondContact O-OG1 2.77Å; A46-T133 VanDerWaalsContact O-OG1 3.1Å; A48-T133 WeakPolarHBondContact CB-O 3.47Å; A48-T133 PolarHBondContact N-O 3.19Å; T133-R146 PolarHBondContact O-NH2 3.2Å; T133-M147 CarbonylContact C-O 3.58Å; T133-M147 VanDerWaalsContact CA-O 3.25Å; T133-M147 WeakPolarHBondContact CA-O 3.49Å
134V98.7Very high95.4Very high4 Ų439.9 Ų39.92%0.02423%0.234CC..EExtended strand (participates in β ladder)trans-125.4174.9176.7-68.30000109.2A48 R146 M147 A149 L175 P177A48-V134 HydrophobicContact CB-CG1 3.72Å; V134-R146 WeakPolarHBondContact O-CA 3.02Å; V134-R146 PolarHBondContact O-NE 3.03Å; V134-R146 VanDerWaalsContact O-NE 3.12Å; V134-M147 HydrophobicContact CG2-CG 3.69Å; V134-M147 PolarHBondContact N-O 3.44Å; V134-M147 PolarHBondContact O-N 3.22Å; V134-A149 HydrophobicContact CG1-CB 4.01Å; V134-A149 HydrophobicContact CG2-CB 4.49Å; V134-L175 HydrophobicContact CG1-CB 4.41Å; V134-L175 WeakPolarHBondContact CG1-O 3.19Å; V134-P177 HydrophobicContact CG2-CG 4.4Å
135D98.3Very high96.1Very high90 Ų9038.6 Ų38.648%0.48122%0.217SC..EExtended strand (participates in β ladder)trans-60.1147.3168.2-66.4-32.9000110.7R146 M147 P177D135-R146 IonicContact OD1-CZ 3.12Å; D135-R146 IonicContact OD1-NH1 2.63Å; D135-R146 PolarHBondContact OD1-NH1 2.97Å; D135-M147 WeakPolarHBondContact O-CG 3.37Å; D135-P177 WeakPolarHBondContact O-CB 3.29Å; D135-P177 VanDerWaalsContact O-CG 3.25Å; D135-P177 WeakPolarHBondContact O-CG 3.5Å
136S97.8Very high96.7Very high13 Ų1338.3 Ų38.39%0.09121%0.212CC..PPolyproline II helixtrans-62.9145.8174.552.40000111.7H144 D145S136-H144 WeakPolarHBondContact CB-O 3.45Å; S136-H144 PolarHBondContact OG-O 2.84Å; S136-D145 PolarHBondContact N-O 3.08Å; S136-D145 WeakPolarHBondContact OG-CA 3.41Å; S136-D145 PolarHBondContact OG-O 3.26Å
137S96.8Very high97.1Very high3 Ų335.9 Ų35.92%0.02119%0.192CC..PPolyproline II helixtrans-71.5153.7165.161.50000110.9G139 I140 E141 M147 Y178S137-G139 PolarHBondContact O-N 3.2Å; S137-I140 PolarHBondContact O-N 2.83Å; S137-E141 PolarHBondContact O-N 2.82Å; S137-E141 VanDerWaalsContact O-N 3.14Å; S137-M147 PolarHBondContact N-SD 3.29Å; S137-Y178 WeakPolarHBondContact CB-O 3.14Å; S137-Y178 PolarHBondContact OG-O 2.98Å
138P95.7Very high97.3Very high113 Ų11332.8 Ų32.873%0.73418%0.182SC*.THydrogen-bonded Turntrans-54.6-27.5-177-28.935.6000114.4I140P138-I140 VanDerWaalsContact C-N 3.3Å; P138-I140 PolarHBondContact O-N 2.82Å
139G95.3Very high97.5Very high37 Ų3732.6 Ų32.638%0.38118%0.181SC..THydrogen-bonded Turntrans-68-24.4-179.400000114.7S137 F142 Y183S137-G139 PolarHBondContact O-N 3.2Å; G139-F142 WeakPolarHBondContact O-CE1 3.49Å; G139-Y183 WeakPolarHBondContact O-CE1 3.4Å
140I96.4Very high97.6Very high3 Ų332.8 Ų32.82%0.01518%0.181CC..THydrogen-bonded Turntrans-124.10.5-177.361.1161.6000113.6F74 I89 S137 P138 F142 I143 H144 M147 L181 Y183F74-I140 HydrophobicContact CZ-CD1 4.24Å; I89-I140 HydrophobicContact CD1-CD1 4.47Å; I89-I140 HydrophobicContact CG2-CG2 4.34Å; S137-I140 PolarHBondContact O-N 2.83Å; P138-I140 VanDerWaalsContact C-N 3.3Å; P138-I140 PolarHBondContact O-N 2.82Å; I140-F142 PolarHBondContact O-N 3.14Å; I140-F142 VanDerWaalsContact O-N 3.15Å; I140-I143 HydrophobicContact CB-CD1 4.32Å; I140-I143 HydrophobicContact CG2-CD1 4.4Å; I140-I143 WeakPolarHBondContact O-CA 3.21Å; I140-I143 VanDerWaalsContact O-CB 3.31Å; I140-I143 WeakPolarHBondContact O-CB 3.34Å; I140-I143 PolarHBondContact O-N 3.46Å; I140-H144 PolarHBondContact O-N 3.35Å; I140-M147 HydrophobicContact CD1-CB 3.87Å; I140-M147 HydrophobicContact CD1-SD 4.06Å; I140-L181 HydrophobicContact CD1-CD1 3.69Å; I140-L181 HydrophobicContact CG1-CD1 4.48Å; I140-L181 HydrophobicContact CG2-CB 4.27Å; I140-Y183 HydrophobicContact CG2-CD1 3.64Å; I140-Y183 HydrophobicContact CG2-CE1 4.03Å
141E96.5Very high97.6Very high120 Ų12032.9 Ų32.956%0.56118%0.182SC*.THydrogen-bonded Turntrans-57.8-30.2-179.4-175.4175.5-16000112.9S137 I143 H144S137-E141 PolarHBondContact O-N 2.82Å; S137-E141 VanDerWaalsContact O-N 3.14Å; E141-I143 PolarHBondContact O-N 2.82Å; E141-H144 WeakPolarHBondContact CA-O 3.48Å; E141-H144 PolarHBondContact O-N 3.05Å
142F95.8Very high97.4Very high82 Ų8234.8 Ų34.836%0.3619%0.192SC..THydrogen-bonded Turntrans-66.6-16.7175.180.2-83.9000113.5R78 G139 I140 Y183R78-F142 WeakPolarHBondContact CD-O 3.23Å; R78-F142 WeakPolarHBondContact CG-O 3.4Å; R78-F142 PolarHBondContact NE-O 2.99Å; G139-F142 WeakPolarHBondContact O-CE1 3.49Å; I140-F142 PolarHBondContact O-N 3.14Å; I140-F142 VanDerWaalsContact O-N 3.15Å; F142-Y183 AromaticContact CE1-CE1 3.97Å; F142-Y183 HydrophobicContact CE1-CE1 3.97Å; F142-Y183 AromaticContact CE1-CE2 3.82Å; F142-Y183 HydrophobicContact CE1-CE2 3.82Å; F142-Y183 AromaticContact CE1-CZ 3.44Å; F142-Y183 VanDerWaalsContact CE1-CZ 3.44Å; F142-Y183 VanDerWaalsContact CE1-OH 3.31Å; F142-Y183 WeakPolarHBondContact CE1-OH 3.5Å; F142-Y183 HydrophobicContact CZ-CD2 4.06Å; F142-Y183 HydrophobicContact CZ-CE1 4.38Å; F142-Y183 AromaticContact CZ-CE2 3.42Å; F142-Y183 HydrophobicContact CZ-CE2 3.42Å; F142-Y183 VanDerWaalsContact CZ-CE2 3.42Å; F142-Y183 AromaticContact CZ-CZ 3.59Å
143I96.9Very high97.2Very high9 Ų937.8 Ų37.85%0.04621%0.211CC..THydrogen-bonded Turntrans-88.3-53.4174.8-52.6174.8000109.1E76 R78 Y87 I89 I140 E141 Y183E76-I143 HydrophobicContact CB-CG2 3.91Å; E76-I143 HydrophobicContact CG-CG2 3.81Å; R78-I143 WeakPolarHBondContact CA-O 3.4Å; R78-I143 HydrophobicContact CB-CG2 4.2Å; Y87-I143 HydrophobicContact CD1-CD1 4.05Å; Y87-I143 HydrophobicContact CD2-CD1 4.21Å; Y87-I143 HydrophobicContact CD2-CG1 4.21Å; Y87-I143 HydrophobicContact CD2-CG2 3.96Å; Y87-I143 HydrophobicContact CG-CD1 3.79Å; Y87-I143 HydrophobicContact CG-CG1 4.29Å; Y87-I143 HydrophobicContact CG-CG2 4.37Å; I89-I143 HydrophobicContact CD1-CD1 3.99Å; I89-I143 HydrophobicContact CG1-CD1 4.3Å; I140-I143 HydrophobicContact CB-CD1 4.32Å; I140-I143 HydrophobicContact CG2-CD1 4.4Å; I140-I143 WeakPolarHBondContact O-CA 3.21Å; I140-I143 VanDerWaalsContact O-CB 3.31Å; I140-I143 WeakPolarHBondContact O-CB 3.34Å; I140-I143 PolarHBondContact O-N 3.46Å; E141-I143 PolarHBondContact O-N 2.82Å; I143-Y183 HydrophobicContact CD1-CD2 4.23Å; I143-Y183 HydrophobicContact CD1-CG 4.09Å
144H97.1Very high96.9Very high48 Ų4843.6 Ų43.622%0.22224%0.241CC..  trans-158.9153.3179.2-159.4-72.9000111.3E76 S136 I140 E141 R146E76-H144 VanDerWaalsContact CD-CD2 3.46Å; E76-H144 HydrophobicContact CG-CB 3.36Å; E76-H144 IonicContact OE1-CD2 2.97Å; E76-H144 PolarHBondContact OE1-CD2 2.87Å; E76-H144 VanDerWaalsContact OE1-CD2 3.3Å; E76-H144 IonicContact OE1-CG 3.8Å; E76-H144 IonicContact OE2-CD2 2.87Å; E76-H144 IonicContact OE2-CG 3.85Å; S136-H144 WeakPolarHBondContact CB-O 3.45Å; S136-H144 PolarHBondContact OG-O 2.84Å; I140-H144 PolarHBondContact O-N 3.35Å; E141-H144 WeakPolarHBondContact CA-O 3.48Å; E141-H144 PolarHBondContact O-N 3.05Å; H144-R146 PolarHBondContact ND1-N 2.84Å; H144-R146 PolarHBondContact O-N 3.28Å
145D97.4Very high96.8Very high92 Ų9248.7 Ų48.749%0.49227%0.265SS..SBendtrans-75.8-3.6-179.369-34.2000114.4S136S136-D145 PolarHBondContact N-O 3.08Å; S136-D145 WeakPolarHBondContact OG-CA 3.41Å; S136-D145 PolarHBondContact OG-O 3.26Å
146R98Very high96.7Very high25 Ų2544.4 Ų44.49%0.09424%0.242CC..EExtended strand (participates in β ladder)trans-134.8149.6-174-61.6-59.9-70.2-171.8-0.1109.6E49 T133 V134 D135 H144E49-R146 IonicContact OE1-CZ 3.36Å; E49-R146 VanDerWaalsContact OE1-CZ 3.3Å; E49-R146 IonicContact OE1-NH1 2.85Å; E49-R146 PolarHBondContact OE1-NH1 2.9Å; E49-R146 IonicContact OE1-NH2 2.79Å; E49-R146 PolarHBondContact OE1-NH2 3.47Å; E49-R146 IonicContact OE2-CZ 2.71Å; E49-R146 IonicContact OE2-NH1 3.04Å; E49-R146 IonicContact OE2-NH2 2.84Å; E49-R146 PolarHBondContact OE2-NH2 3.3Å; T133-R146 PolarHBondContact O-NH2 3.2Å; V134-R146 WeakPolarHBondContact O-CA 3.02Å; V134-R146 PolarHBondContact O-NE 3.03Å; V134-R146 VanDerWaalsContact O-NE 3.12Å; D135-R146 IonicContact OD1-CZ 3.12Å; D135-R146 IonicContact OD1-NH1 2.63Å; D135-R146 PolarHBondContact OD1-NH1 2.97Å; H144-R146 PolarHBondContact ND1-N 2.84Å; H144-R146 PolarHBondContact O-N 3.28Å
147M98.2Very high96.7Very high2 Ų245.1 Ų45.11%0.0125%0.246CC..EExtended strand (participates in β ladder)trans-142159.9171.966.1179.8-73.800110.7F74 T133 V134 D135 S137 I140 I150 P177 L181F74-M147 HydrophobicContact CZ-CB 4.33Å; T133-M147 CarbonylContact C-O 3.58Å; T133-M147 VanDerWaalsContact CA-O 3.25Å; T133-M147 WeakPolarHBondContact CA-O 3.49Å; V134-M147 HydrophobicContact CG2-CG 3.69Å; V134-M147 PolarHBondContact N-O 3.44Å; V134-M147 PolarHBondContact O-N 3.22Å; D135-M147 WeakPolarHBondContact O-CG 3.37Å; S137-M147 PolarHBondContact N-SD 3.29Å; I140-M147 HydrophobicContact CD1-CB 3.87Å; I140-M147 HydrophobicContact CD1-SD 4.06Å; M147-I150 HydrophobicContact CE-CD1 3.9Å; M147-I150 HydrophobicContact CE-CG1 4.46Å; M147-P177 HydrophobicContact SD-CB 4.13Å; M147-L181 HydrophobicContact CE-CD1 3.43Å; M147-L181 VanDerWaalsContact CE-CD1 3.43Å; M147-L181 HydrophobicContact SD-CD1 4.38Å
148P98.7Very high96.7Very high15 Ų1548.8 Ų48.810%0.09727%0.265CS..EExtended strand (participates in β ladder)trans-57.9145.7166.2-24.936.5000112.1F74 L113 I131 I150F74-P148 HydrophobicContact CD1-CG 4.09Å; F74-P148 HydrophobicContact CD2-CG 4.26Å; F74-P148 HydrophobicContact CE1-CG 4.27Å; F74-P148 HydrophobicContact CE2-CG 4.41Å; F74-P148 HydrophobicContact CG-CG 4.09Å; F74-P148 HydrophobicContact CZ-CG 4.42Å; L113-P148 HydrophobicContact CB-CB 4.49Å; L113-P148 HydrophobicContact CD1-CB 3.94Å; L113-P148 HydrophobicContact CD1-CG 4.22Å; L113-P148 HydrophobicContact CD2-CB 3.73Å; L113-P148 HydrophobicContact CD2-CG 4.5Å; L113-P148 HydrophobicContact CG-CB 4.27Å; I131-P148 HydrophobicContact CG2-CB 3.92Å; I131-P148 HydrophobicContact CG2-CG 4.41Å; P148-I150 PolarHBondContact O-N 3.33Å
149A98.7Very high96.7Very high0 Ų044.6 Ų44.60%024%0.236CC..  trans-74.7113.4167.600000109.2L113 A114 I132 V134 L175L113-A149 CarbonylContact C-O 3.46Å; L113-A149 WeakPolarHBondContact CA-O 3.39Å; A114-A149 HydrophobicContact CB-CB 4.07Å; A114-A149 PolarHBondContact N-O 3.47Å; I132-A149 HydrophobicContact CB-CB 4.35Å; I132-A149 HydrophobicContact CG2-CB 4.21Å; I132-A149 PolarHBondContact O-N 3.3Å; V134-A149 HydrophobicContact CG1-CB 4.01Å; V134-A149 HydrophobicContact CG2-CB 4.49Å; A149-L175 HydrophobicContact CB-CD2 3.89Å
150I98.4Very high96.8Very high3 Ų342.9 Ų42.92%0.01522%0.218CC..BIsolated β-bridgetrans-92.8131.6-179-63170.1000109M91 M111 L113 M147 P148 D152 Y178 L181M91-I150 HydrophobicContact SD-CG2 3.79Å; M111-I150 HydrophobicContact CE-CD1 4.49Å; M111-I150 HydrophobicContact CG-CD1 4.02Å; M111-I150 HydrophobicContact CG-CG1 4Å; M111-I150 HydrophobicContact CG-CG2 3.98Å; M111-I150 HydrophobicContact SD-CD1 3.48Å; M111-I150 WeakPolarHBondContact SD-CD1 3.19Å; M111-I150 HydrophobicContact SD-CG1 3.8Å; L113-I150 HydrophobicContact CD2-CG1 3.82Å; M147-I150 HydrophobicContact CE-CD1 3.9Å; M147-I150 HydrophobicContact CE-CG1 4.46Å; P148-I150 PolarHBondContact O-N 3.33Å; I150-D152 HydrophobicContact CG2-CB 4.5Å; I150-D152 PolarHBondContact O-N 3.44Å; I150-Y178 HydrophobicContact CB-CG 4.47Å; I150-Y178 HydrophobicContact CD1-CD1 4.06Å; I150-Y178 HydrophobicContact CD1-CG 4.29Å; I150-L181 HydrophobicContact CD1-CD1 4.26Å; I150-L181 HydrophobicContact CD1-CD2 3.72Å; I150-L181 HydrophobicContact CD1-CG 4.43Å
151L98Very high96.9Very high2 Ų242.8 Ų42.81%0.0122%0.218CC..  trans-87.783.7173.6-61.5171.6000108.4A68 P112 A114 T153 A156 V157 W160A68-L151 HydrophobicContact CB-CD1 4.17Å; P112-L151 HydrophobicContact CB-CB 4.34Å; P112-L151 HydrophobicContact CG-CB 4.14Å; P112-L151 WeakPolarHBondContact CG-O 3.43Å; P112-L151 PolarHBondContact O-N 3.38Å; A114-L151 HydrophobicContact CB-CD1 4.27Å; A114-L151 HydrophobicContact CB-CD2 4.05Å; A114-L151 HydrophobicContact CB-CG 4.08Å; L151-T153 VanDerWaalsContact C-N 3.27Å; L151-T153 PolarHBondContact O-N 2.89Å; L151-A156 HydrophobicContact CB-CB 4.34Å; L151-A156 HydrophobicContact CD2-CB 4.4Å; L151-V157 HydrophobicContact CB-CG2 3.65Å; L151-V157 HydrophobicContact CD1-CG2 4.38Å; L151-W160 HydrophobicContact CD1-CB 3.96Å; L151-W160 HydrophobicContact CD1-CG 3.78Å; L151-W160 HydrophobicContact CD2-CB 4.01Å; L151-W160 HydrophobicContact CD2-CD2 4.35Å; L151-W160 HydrophobicContact CD2-CG 4.05Å
152D94.7Very high96.8Very high56 Ų5638.2 Ų38.230%0.29920%0.197SC..  trans-73-7.4-163.159-18.3000116.3I150 R176 Y178I150-D152 HydrophobicContact CG2-CB 4.5Å; I150-D152 PolarHBondContact O-N 3.44Å; D152-R176 IonicContact OD1-NH2 3.14Å; D152-R176 PolarHBondContact OD1-NH2 3.25Å; D152-R176 VanDerWaalsContact OD1-NH2 3.08Å; D152-R176 IonicContact OD2-NH2 3.06Å; D152-R176 PolarHBondContact OD2-NH2 3.26Å; D152-Y178 HydrophobicContact CB-CD2 3.56Å; D152-Y178 HydrophobicContact CB-CE2 3.56Å
153T94.3Very high96.6Very high64 Ų6435.6 Ų35.639%0.39319%0.188SC..SBendtrans-135.9156178.1690000111.4L151 E155 A156 V157L151-T153 VanDerWaalsContact C-N 3.27Å; L151-T153 PolarHBondContact O-N 2.89Å; T153-E155 PolarHBondContact O-N 3.17Å; T153-A156 WeakPolarHBondContact O-CB 3.46Å; T153-A156 PolarHBondContact O-N 3.34Å; T153-A156 WeakPolarHBondContact OG1-CB 3.46Å; T153-A156 PolarHBondContact OG1-N 3.15Å; T153-V157 WeakPolarHBondContact O-CG2 3.49Å; T153-V157 PolarHBondContact O-N 2.87Å
154D94Very high96.4Very high135 Ų13537.9 Ų37.972%0.72222%0.215SC*.Hα-helixtrans-56.8-37.8172.9-68-15.5000111.4V157 L158D154-V157 PolarHBondContact O-N 3.4Å; D154-L158 WeakPolarHBondContact O-CB 3.31Å; D154-L158 VanDerWaalsContact O-CG 3.23Å; D154-L158 WeakPolarHBondContact O-CG 3.23Å; D154-L158 PolarHBondContact O-N 3.11Å
155E95.8Very high96.2Very high111 Ų11141.3 Ų41.352%0.51923%0.231SC..Hα-helixtrans-60.3-46.3173.9-170.1-152.9128.400111.5T153 V157 L158 N159 Y174T153-E155 PolarHBondContact O-N 3.17Å; E155-V157 VanDerWaalsContact C-N 3.32Å; E155-V157 PolarHBondContact O-N 3.5Å; E155-L158 PolarHBondContact O-N 3.29Å; E155-N159 WeakPolarHBondContact CG-ND2 3.44Å; E155-N159 VanDerWaalsContact O-CB 3.24Å; E155-N159 WeakPolarHBondContact O-CB 3.45Å; E155-N159 PolarHBondContact O-N 3.32Å; E155-N159 PolarHBondContact O-OD1 3.15Å; E155-N159 PolarHBondContact OE1-ND2 2.78Å; E155-Y174 PolarHBondContact OE1-OH 2.71Å
156A97.2Very high96Very high0 Ų038.8 Ų38.80%022%0.216CC..Hα-helixtrans-61.9-42.4178.200000111.2L151 T153 W160 Y174L151-A156 HydrophobicContact CB-CB 4.34Å; L151-A156 HydrophobicContact CD2-CB 4.4Å; T153-A156 WeakPolarHBondContact O-CB 3.46Å; T153-A156 PolarHBondContact O-N 3.34Å; T153-A156 WeakPolarHBondContact OG1-CB 3.46Å; T153-A156 PolarHBondContact OG1-N 3.15Å; A156-W160 WeakPolarHBondContact O-CB 3.23Å; A156-W160 PolarHBondContact O-N 3.09Å; A156-Y174 HydrophobicContact CB-CD1 3.46Å; A156-Y174 VanDerWaalsContact CB-CD1 3.46Å; A156-Y174 HydrophobicContact CB-CE1 3.79Å; A156-Y174 HydrophobicContact CB-CG 4.01Å
157V97.1Very high95.9Very high27 Ų2742.6 Ų42.616%0.16423%0.234CC..Hα-helixtrans-62.7-51.2176.2175.40000111P112 L151 T153 D154 E155 W160 L161P112-V157 HydrophobicContact CB-CG2 3.97Å; P112-V157 HydrophobicContact CG-CG2 3.71Å; L151-V157 HydrophobicContact CB-CG2 3.65Å; L151-V157 HydrophobicContact CD1-CG2 4.38Å; T153-V157 WeakPolarHBondContact O-CG2 3.49Å; T153-V157 PolarHBondContact O-N 2.87Å; D154-V157 PolarHBondContact O-N 3.4Å; E155-V157 VanDerWaalsContact C-N 3.32Å; E155-V157 PolarHBondContact O-N 3.5Å; V157-W160 PolarHBondContact O-N 3.12Å; V157-L161 HydrophobicContact CG1-CD1 3.88Å; V157-L161 WeakPolarHBondContact O-CB 3.48Å; V157-L161 VanDerWaalsContact O-CG 3.29Å; V157-L161 WeakPolarHBondContact O-CG 3.46Å; V157-L161 PolarHBondContact O-N 3.27Å
158L95.9Very high95.7Very high81 Ų8143.4 Ų43.442%0.42424%0.24SC..Hα-helixtrans-64.8-46.6-176.7-69.3173.2000111.5M19 D154 E155 W160 L161 D162M19-L158 HydrophobicContact CE-CB 3.98Å; M19-L158 HydrophobicContact CE-CD2 3.58Å; M19-L158 HydrophobicContact CE-CG 4.4Å; M19-L158 WeakPolarHBondContact CE-O 3.48Å; M19-L158 HydrophobicContact SD-CD2 4.2Å; D154-L158 WeakPolarHBondContact O-CB 3.31Å; D154-L158 VanDerWaalsContact O-CG 3.23Å; D154-L158 WeakPolarHBondContact O-CG 3.23Å; D154-L158 PolarHBondContact O-N 3.11Å; E155-L158 PolarHBondContact O-N 3.29Å; L158-W160 VanDerWaalsContact C-N 3.32Å; L158-W160 PolarHBondContact O-N 3.4Å; L158-L161 PolarHBondContact O-N 3.3Å; L158-L161 VanDerWaalsContact O-N 3.16Å; L158-D162 WeakPolarHBondContact O-CB 3.33Å; L158-D162 PolarHBondContact O-N 2.96Å
159N96.9Very high95.5Very high25 Ų2548.2 Ų48.213%0.13427%0.265CS..Hα-helixtrans-67.8-35.7179.5-65.1-1.2000111.4R66 E155 L161 F166 V171 Y174R66-N159 PolarHBondContact NH2-O 3.03Å; E155-N159 WeakPolarHBondContact CG-ND2 3.44Å; E155-N159 VanDerWaalsContact O-CB 3.24Å; E155-N159 WeakPolarHBondContact O-CB 3.45Å; E155-N159 PolarHBondContact O-N 3.32Å; E155-N159 PolarHBondContact O-OD1 3.15Å; E155-N159 PolarHBondContact OE1-ND2 2.78Å; N159-L161 VanDerWaalsContact C-N 3.32Å; N159-L161 PolarHBondContact O-N 2.89Å; N159-F166 HydrophobicContact CB-CD1 4.34Å; N159-F166 HydrophobicContact CB-CD2 3.82Å; N159-F166 HydrophobicContact CB-CE1 4.24Å; N159-F166 HydrophobicContact CB-CE2 3.72Å; N159-F166 HydrophobicContact CB-CG 4.13Å; N159-F166 HydrophobicContact CB-CZ 3.93Å; N159-F166 VanDerWaalsContact CG-CE2 3.4Å; N159-F166 WeakPolarHBondContact OD1-CE2 3.42Å; N159-F166 VanDerWaalsContact OD1-CZ 3.24Å; N159-F166 WeakPolarHBondContact OD1-CZ 3.48Å; N159-V171 WeakPolarHBondContact O-CG1 3.45Å; N159-Y174 HydrophobicContact CB-CE2 3.77Å; N159-Y174 PolarHBondContact ND2-OH 2.69Å
160W97.9Very high95.4Very high0 Ų052.2 Ų52.20%028%0.284CS..Hα-helixtrans-62.4-39.2172.6-177.8-102.8000111.7M61 R66 C67 A114 L116 I132 L151 A156 V157 L158 V171 L175M61-W160 HydrophobicContact CE-CH2 3.89Å; M61-W160 HydrophobicContact CE-CZ3 4.12Å; M61-W160 HydrophobicContact SD-CH2 3.74Å; M61-W160 HydrophobicContact SD-CZ2 4.34Å; R66-W160 HydrophobicContact CB-CD2 4.47Å; R66-W160 HydrophobicContact CB-CZ2 4.05Å; R66-W160 HydrophobicContact CG-CH2 4.49Å; R66-W160 HydrophobicContact CG-CZ2 4.06Å; R66-W160 VanDerWaalsContact CZ-O 3.26Å; R66-W160 PolarHBondContact NE-O 3.17Å; R66-W160 PolarHBondContact NH2-O 2.95Å; C67-W160 PolarHBondContact O-NE1 3.43Å; A114-W160 HydrophobicContact CB-CD2 4.44Å; A114-W160 HydrophobicContact CB-CZ2 4.05Å; L116-W160 HydrophobicContact CD2-CZ2 4.31Å; I132-W160 HydrophobicContact CD1-CH2 3.5Å; I132-W160 HydrophobicContact CD1-CZ2 3.53Å; L151-W160 HydrophobicContact CD1-CB 3.96Å; L151-W160 HydrophobicContact CD1-CG 3.78Å; L151-W160 HydrophobicContact CD2-CB 4.01Å; L151-W160 HydrophobicContact CD2-CD2 4.35Å; L151-W160 HydrophobicContact CD2-CG 4.05Å; A156-W160 WeakPolarHBondContact O-CB 3.23Å; A156-W160 PolarHBondContact O-N 3.09Å; V157-W160 PolarHBondContact O-N 3.12Å; L158-W160 VanDerWaalsContact C-N 3.32Å; L158-W160 PolarHBondContact O-N 3.4Å; W160-V171 HydrophobicContact CE3-CB 3.79Å; W160-V171 HydrophobicContact CE3-CG2 3.75Å; W160-V171 HydrophobicContact CZ3-CB 4.07Å; W160-V171 HydrophobicContact CZ3-CG2 3.6Å; W160-L175 HydrophobicContact CE3-CD2 4.42Å; W160-L175 HydrophobicContact CH2-CD1 4.14Å; W160-L175 HydrophobicContact CH2-CD2 3.85Å; W160-L175 HydrophobicContact CH2-CG 4.34Å; W160-L175 HydrophobicContact CZ3-CD1 4.15Å; W160-L175 HydrophobicContact CZ3-CD2 3.77Å; W160-L175 HydrophobicContact CZ3-CG 4.04Å
161L97.2Very high95.3Very high2 Ų252 Ų521%0.0128%0.283CS..Hα-helixtrans-83.1-26.7-178.7-66.8174.1000114V2 S4 M19 V21 A68 V157 L158 N159 C163V2-L161 HydrophobicContact CG1-CD1 3.84Å; S4-L161 PolarHBondContact OG-O 3.3Å; M19-L161 HydrophobicContact CE-CB 3.92Å; V21-L161 HydrophobicContact CG1-CD1 4.43Å; A68-L161 HydrophobicContact CB-CD1 4.5Å; A68-L161 HydrophobicContact CB-CD2 4.34Å; V157-L161 HydrophobicContact CG1-CD1 3.88Å; V157-L161 WeakPolarHBondContact O-CB 3.48Å; V157-L161 VanDerWaalsContact O-CG 3.29Å; V157-L161 WeakPolarHBondContact O-CG 3.46Å; V157-L161 PolarHBondContact O-N 3.27Å; L158-L161 PolarHBondContact O-N 3.3Å; L158-L161 VanDerWaalsContact O-N 3.16Å; N159-L161 VanDerWaalsContact C-N 3.32Å; N159-L161 PolarHBondContact O-N 2.89Å; L161-C163 PolarHBondContact O-N 3.32Å; L161-C163 PolarHBondContact O-SG 2.95Å
162D95.2Very high95.3Very high24 Ų2454 Ų5413%0.12830%0.295CS..  trans-80.486-179.8-169.8-14.6000111.4M19 R66 L158 G164 Q165 F166M19-D162 HydrophobicContact CE-CB 3.94Å; M19-D162 HydrophobicContact CG-CB 4.41Å; R66-D162 PolarHBondContact NH2-O 3.11Å; L158-D162 WeakPolarHBondContact O-CB 3.33Å; L158-D162 PolarHBondContact O-N 2.96Å; D162-G164 PolarHBondContact O-N 2.79Å; D162-G164 PolarHBondContact OD1-N 3Å; D162-Q165 PolarHBondContact OD1-N 2.7Å; D162-Q165 VanDerWaalsContact OD2-CD 3.22Å; D162-Q165 VanDerWaalsContact OD2-CG 3.26Å; D162-Q165 WeakPolarHBondContact OD2-CG 3.21Å; D162-Q165 PolarHBondContact OD2-NE2 2.76Å; D162-F166 HydrophobicContact CB-CD2 4.07Å; D162-F166 HydrophobicContact CB-CE2 4.46Å; D162-F166 PolarHBondContact O-N 2.88Å
163C92.1Very high95.4Very high26 Ų2657.1 Ų57.118%0.17631%0.306CS..THydrogen-bonded Turntrans-77.5-11.1178.5-55.40000113.3G64 R66 L161G64-C163 VanDerWaalsContact C-SG 3.56Å; G64-C163 WeakPolarHBondContact CA-SG 3.35Å; G64-C163 PolarHBondContact O-SG 3.45Å; R66-C163 PolarHBondContact NH2-SG 2.94Å; R66-C163 VanDerWaalsContact NH2-SG 3.45Å; L161-C163 PolarHBondContact O-N 3.32Å; L161-C163 PolarHBondContact O-SG 2.95Å
164G91.4Very high95.6Very high58 Ų5854.5 Ų54.560%0.59829%0.289SS*.THydrogen-bonded Turntrans-78.7-36.9175.400000111.6D162D162-G164 PolarHBondContact O-N 2.79Å; D162-G164 PolarHBondContact OD1-N 3Å
165Q93Very high95.8Very high119 Ų11949 Ų4956%0.55626%0.259SS*.THydrogen-bonded Turntrans-94.6-41.8179.5-63.1-171.219.800113.3D162D162-Q165 PolarHBondContact OD1-N 2.7Å; D162-Q165 VanDerWaalsContact OD2-CD 3.22Å; D162-Q165 VanDerWaalsContact OD2-CG 3.26Å; D162-Q165 WeakPolarHBondContact OD2-CG 3.21Å; D162-Q165 PolarHBondContact OD2-NE2 2.76Å
166F94.3Very high95.9Very high40 Ų4048.5 Ų48.518%0.17525%0.252CS..  trans-108.1120.8-171.5-60.2-85000113.2R66 N159 D162 V171R66-F166 PolarHBondContact NH1-O 2.85Å; R66-F166 PolarHBondContact NH2-O 3.14Å; N159-F166 HydrophobicContact CB-CD1 4.34Å; N159-F166 HydrophobicContact CB-CD2 3.82Å; N159-F166 HydrophobicContact CB-CE1 4.24Å; N159-F166 HydrophobicContact CB-CE2 3.72Å; N159-F166 HydrophobicContact CB-CG 4.13Å; N159-F166 HydrophobicContact CB-CZ 3.93Å; N159-F166 VanDerWaalsContact CG-CE2 3.4Å; N159-F166 WeakPolarHBondContact OD1-CE2 3.42Å; N159-F166 VanDerWaalsContact OD1-CZ 3.24Å; N159-F166 WeakPolarHBondContact OD1-CZ 3.48Å; D162-F166 HydrophobicContact CB-CD2 4.07Å; D162-F166 HydrophobicContact CB-CE2 4.46Å; D162-F166 PolarHBondContact O-N 2.88Å; F166-V171 HydrophobicContact CB-CG1 3.48Å; F166-V171 VanDerWaalsContact CB-CG1 3.48Å; F166-V171 HydrophobicContact CG-CG1 4.31Å
167Q94.1Very high96Very high104 Ų10451.4 Ų51.449%0.48627%0.271SS..  trans-76.5167.1176.1-60.3-54.1-55.100112.1D169 E170 V171Q167-D169 VanDerWaalsContact C-N 3.33Å; Q167-D169 VanDerWaalsContact CB-OD1 3.3Å; Q167-D169 WeakPolarHBondContact CB-OD1 3.32Å; Q167-D169 PolarHBondContact O-N 3.23Å; Q167-E170 HydrophobicContact CB-CG 4.48Å; Q167-E170 WeakPolarHBondContact CB-OE2 3.37Å; Q167-E170 PolarHBondContact N-OE2 2.94Å; Q167-E170 PolarHBondContact O-N 2.89Å; Q167-V171 PolarHBondContact O-N 2.97Å
168S95Very high96Very high20 Ų2052.2 Ų52.214%0.1427%0.272CS..Hα-helixtrans-60.9-39.5-172.7-63.30000113.2M61 V171 V172M61-S168 VanDerWaalsContact C-OG 3.24Å; M61-S168 PolarHBondContact O-OG 2.98Å; S168-V171 WeakPolarHBondContact O-CG2 3.49Å; S168-V172 WeakPolarHBondContact O-CG1 3.46Å; S168-V172 PolarHBondContact O-N 2.62Å
169D94.8Very high95.9Very high116 Ų11651.8 Ų51.862%0.6228%0.28SS*.Hα-helixtrans-72.3-25.3179.556.6-40.2000113.5Q167 V172Q167-D169 VanDerWaalsContact C-N 3.33Å; Q167-D169 VanDerWaalsContact CB-OD1 3.3Å; Q167-D169 WeakPolarHBondContact CB-OD1 3.32Å; Q167-D169 PolarHBondContact O-N 3.23Å; D169-V172 WeakPolarHBondContact O-CG2 3.27Å
170E96.3Very high95.7Very high83 Ų8354.1 Ų54.139%0.38830%0.298SS..Hα-helixtrans-77.9-35.5177.8-61.1178.387.900112.3Q167 K173Q167-E170 HydrophobicContact CB-CG 4.48Å; Q167-E170 WeakPolarHBondContact CB-OE2 3.37Å; Q167-E170 PolarHBondContact N-OE2 2.94Å; Q167-E170 PolarHBondContact O-N 2.89Å; E170-K173 VanDerWaalsContact O-CD 3.28Å; E170-K173 WeakPolarHBondContact O-CD 3.18Å; E170-K173 WeakPolarHBondContact O-CE 3.18Å; E170-K173 VanDerWaalsContact O-CG 3.29Å; E170-K173 WeakPolarHBondContact O-CG 3.33Å
171V97.5Very high95.6Very high0 Ų054.9 Ų54.90%030%0.302CS..Hα-helixtrans-88.3-16.4-174.3-590000113.9M61 N159 W160 F166 Q167 S168 K173 Y174M61-V171 HydrophobicContact CE-CG2 3.99Å; N159-V171 WeakPolarHBondContact O-CG1 3.45Å; W160-V171 HydrophobicContact CE3-CB 3.79Å; W160-V171 HydrophobicContact CE3-CG2 3.75Å; W160-V171 HydrophobicContact CZ3-CB 4.07Å; W160-V171 HydrophobicContact CZ3-CG2 3.6Å; F166-V171 HydrophobicContact CB-CG1 3.48Å; F166-V171 VanDerWaalsContact CB-CG1 3.48Å; F166-V171 HydrophobicContact CG-CG1 4.31Å; Q167-V171 PolarHBondContact O-N 2.97Å; S168-V171 WeakPolarHBondContact O-CG2 3.49Å; V171-K173 PolarHBondContact O-N 2.74Å; V171-K173 VanDerWaalsContact O-N 3.11Å; V171-Y174 HydrophobicContact CB-CD2 4.18Å; V171-Y174 WeakPolarHBondContact O-CB 3.33Å; V171-Y174 VanDerWaalsContact O-CD2 3.29Å; V171-Y174 WeakPolarHBondContact O-CD2 3.11Å; V171-Y174 PolarHBondContact O-N 3.03Å
172V97.2Very high95.5Very high42 Ų4260.7 Ų60.726%0.25532%0.324SS..G310 helixtrans-62.2-19.7177.8-74.40000113.2V51 L52 M61 S168 D169 Y174 L175V51-V172 HydrophobicContact CG1-CG1 4.18Å; L52-V172 HydrophobicContact CD1-CG1 3.73Å; L52-V172 HydrophobicContact CD1-CG2 4.32Å; L52-V172 HydrophobicContact CD2-CG1 4.18Å; L52-V172 HydrophobicContact CG-CG1 3.94Å; M61-V172 HydrophobicContact CE-CG1 4.2Å; S168-V172 WeakPolarHBondContact O-CG1 3.46Å; S168-V172 PolarHBondContact O-N 2.62Å; D169-V172 WeakPolarHBondContact O-CG2 3.27Å; V172-Y174 PolarHBondContact O-N 2.84Å; V172-L175 HydrophobicContact CB-CD1 4.34Å; V172-L175 HydrophobicContact CG1-CD1 4Å; V172-L175 WeakPolarHBondContact O-CB 3.37Å; V172-L175 PolarHBondContact O-N 2.89Å
173K97.3Very high95.5Very high122 Ų12264.1 Ų64.153%0.5334%0.336SS..G310 helixtrans-60.5-21.4172.873.8-172.5177.7177.30113.7E170 V171 L175 R176E170-K173 VanDerWaalsContact O-CD 3.28Å; E170-K173 WeakPolarHBondContact O-CD 3.18Å; E170-K173 WeakPolarHBondContact O-CE 3.18Å; E170-K173 VanDerWaalsContact O-CG 3.29Å; E170-K173 WeakPolarHBondContact O-CG 3.33Å; V171-K173 PolarHBondContact O-N 2.74Å; V171-K173 VanDerWaalsContact O-N 3.11Å; K173-L175 VanDerWaalsContact C-N 3.34Å; K173-R176 PolarHBondContact O-NH1 3.2Å
174Y98.2Very high95.7Very high9 Ų964.6 Ų64.64%0.03534%0.335CS..G310 helixtrans-81.7-14.4174.8-58.3-63.2000112.4E155 A156 N159 V171 V172 R176E155-Y174 PolarHBondContact OE1-OH 2.71Å; A156-Y174 HydrophobicContact CB-CD1 3.46Å; A156-Y174 VanDerWaalsContact CB-CD1 3.46Å; A156-Y174 HydrophobicContact CB-CE1 3.79Å; A156-Y174 HydrophobicContact CB-CG 4.01Å; N159-Y174 HydrophobicContact CB-CE2 3.77Å; N159-Y174 PolarHBondContact ND2-OH 2.69Å; V171-Y174 HydrophobicContact CB-CD2 4.18Å; V171-Y174 WeakPolarHBondContact O-CB 3.33Å; V171-Y174 VanDerWaalsContact O-CD2 3.29Å; V171-Y174 WeakPolarHBondContact O-CD2 3.11Å; V171-Y174 PolarHBondContact O-N 3.03Å; V172-Y174 PolarHBondContact O-N 2.84Å; Y174-R176 VanDerWaalsContact C-N 3.31Å; Y174-R176 PolarHBondContact O-N 2.84Å
175L98.4Very high96Very high19 Ų1962 Ų6210%0.09931%0.308CS..  trans-85.371.5178.9-53.5179.1000110.6A48 V51 A114 I132 V134 A149 W160 V172 K173A48-L175 HydrophobicContact CB-CB 4.09Å; A48-L175 HydrophobicContact CB-CD1 4.32Å; V51-L175 HydrophobicContact CG1-CD1 4.11Å; A114-L175 HydrophobicContact CB-CD2 3.57Å; I132-L175 HydrophobicContact CB-CD2 4.41Å; I132-L175 HydrophobicContact CD1-CD1 4.15Å; I132-L175 HydrophobicContact CD1-CD2 4Å; I132-L175 HydrophobicContact CG2-CD1 4.12Å; I132-L175 HydrophobicContact CG2-CD2 4Å; V134-L175 HydrophobicContact CG1-CB 4.41Å; V134-L175 WeakPolarHBondContact CG1-O 3.19Å; A149-L175 HydrophobicContact CB-CD2 3.89Å; W160-L175 HydrophobicContact CE3-CD2 4.42Å; W160-L175 HydrophobicContact CH2-CD1 4.14Å; W160-L175 HydrophobicContact CH2-CD2 3.85Å; W160-L175 HydrophobicContact CH2-CG 4.34Å; W160-L175 HydrophobicContact CZ3-CD1 4.15Å; W160-L175 HydrophobicContact CZ3-CD2 3.77Å; W160-L175 HydrophobicContact CZ3-CG 4.04Å; V172-L175 HydrophobicContact CB-CD1 4.34Å; V172-L175 HydrophobicContact CG1-CD1 4Å; V172-L175 WeakPolarHBondContact O-CB 3.37Å; V172-L175 PolarHBondContact O-N 2.89Å; K173-L175 VanDerWaalsContact C-N 3.34Å
176R97.8Very high96.1Very high101 Ų10156.4 Ų56.438%0.38128%0.282SS..SBendtrans-131.2158.7-178.662.2-179.9-179.4-95.5-8.2111.5D152 K173 Y174D152-R176 IonicContact OD1-NH2 3.14Å; D152-R176 PolarHBondContact OD1-NH2 3.25Å; D152-R176 VanDerWaalsContact OD1-NH2 3.08Å; D152-R176 IonicContact OD2-NH2 3.06Å; D152-R176 PolarHBondContact OD2-NH2 3.26Å; K173-R176 PolarHBondContact O-NH1 3.2Å; Y174-R176 VanDerWaalsContact C-N 3.31Å; Y174-R176 PolarHBondContact O-N 2.84Å
177P98.1Very high96.2Very high61 Ų6156.6 Ų56.640%0.39629%0.289SS..  trans-60.9138174.1-19.631.7000111.3V134 D135 M147V134-P177 HydrophobicContact CG2-CG 4.4Å; D135-P177 WeakPolarHBondContact O-CB 3.29Å; D135-P177 VanDerWaalsContact O-CG 3.25Å; D135-P177 WeakPolarHBondContact O-CG 3.5Å; M147-P177 HydrophobicContact SD-CB 4.13Å
178Y96.7Very high96.2Very high45 Ų4555.3 Ų55.318%0.17629%0.288CS..  trans-98.1125.8173.6-178.3-103.3000109.9M91 S137 I150 D152 L181M91-Y178 HydrophobicContact CG-CE1 4.17Å; M91-Y178 HydrophobicContact SD-CE1 4.5Å; S137-Y178 WeakPolarHBondContact CB-O 3.14Å; S137-Y178 PolarHBondContact OG-O 2.98Å; I150-Y178 HydrophobicContact CB-CG 4.47Å; I150-Y178 HydrophobicContact CD1-CD1 4.06Å; I150-Y178 HydrophobicContact CD1-CG 4.29Å; D152-Y178 HydrophobicContact CB-CD2 3.56Å; D152-Y178 HydrophobicContact CB-CE2 3.56Å; Y178-L181 HydrophobicContact CD1-CD2 3.7Å; Y178-L181 HydrophobicContact CD1-CG 3.76Å; Y178-L181 HydrophobicContact CE1-CD2 4.09Å; Y178-L181 HydrophobicContact CE1-CG 4.35Å
179A94.2Very high96.2Very high72 Ų7256.4 Ų56.460%0.59529%0.289SS*.  trans-85.7-35-166.300000114.2L181A179-L181 PolarHBondContact O-N 3.18Å; A179-L181 VanDerWaalsContact O-N 3.11Å
180S93.8Very high96.2Very high73 Ų7351.9 Ų51.951%0.5127%0.265SS..  trans-89.134-166.4-53.90000113.7P92P92-S180 WeakPolarHBondContact CD-O 3.49Å; P92-S180 WeakPolarHBondContact CG-O 3.31Å
181L94.7Very high96.1Very high16 Ų1651.7 Ų51.78%0.08427%0.267CS..  trans-72.9144-179.9-70.9173000112.4F74 I89 Y90 M91 M111 I140 M147 I150 Y178 A179F74-L181 HydrophobicContact CE1-CD1 4.34Å; F74-L181 HydrophobicContact CZ-CD1 4.31Å; I89-L181 HydrophobicContact CG2-CB 4Å; I89-L181 HydrophobicContact CG2-CD1 3.76Å; I89-L181 HydrophobicContact CG2-CD2 4.24Å; I89-L181 HydrophobicContact CG2-CG 4.21Å; Y90-L181 WeakPolarHBondContact O-CD2 3.08Å; M91-L181 HydrophobicContact CG-CD2 4.34Å; M111-L181 HydrophobicContact CE-CD2 4.41Å; I140-L181 HydrophobicContact CD1-CD1 3.69Å; I140-L181 HydrophobicContact CG1-CD1 4.48Å; I140-L181 HydrophobicContact CG2-CB 4.27Å; M147-L181 HydrophobicContact CE-CD1 3.43Å; M147-L181 VanDerWaalsContact CE-CD1 3.43Å; M147-L181 HydrophobicContact SD-CD1 4.38Å; I150-L181 HydrophobicContact CD1-CD1 4.26Å; I150-L181 HydrophobicContact CD1-CD2 3.72Å; I150-L181 HydrophobicContact CD1-CG 4.43Å; Y178-L181 HydrophobicContact CD1-CD2 3.7Å; Y178-L181 HydrophobicContact CD1-CG 3.76Å; Y178-L181 HydrophobicContact CE1-CD2 4.09Å; Y178-L181 HydrophobicContact CE1-CG 4.35Å; A179-L181 PolarHBondContact O-N 3.18Å; A179-L181 VanDerWaalsContact O-N 3.11Å
182R95.4Very high96Very high125 Ų12557.2 Ų57.247%0.47229%0.293SS..EExtended strand (participates in β ladder)trans-98.8156.1165.3-63.4-61.9-159.9-171.90.3109.7I89 Y90 P92 E96I89-R182 WeakPolarHBondContact CA-O 3.22Å; Y90-R182 HydrophobicContact CD1-CB 4.4Å; Y90-R182 HydrophobicContact CD2-CB 3.91Å; Y90-R182 HydrophobicContact CE1-CB 4.02Å; Y90-R182 HydrophobicContact CE2-CB 3.5Å; Y90-R182 HydrophobicContact CE2-CG 4.14Å; Y90-R182 HydrophobicContact CG-CB 4.34Å; Y90-R182 PolarHBondContact N-O 3.35Å; Y90-R182 PolarHBondContact O-N 2.91Å; P92-R182 HydrophobicContact CB-CG 4.05Å; E96-R182 IonicContact OE2-CZ 3.27Å; E96-R182 IonicContact OE2-NE 2.7Å; E96-R182 PolarHBondContact OE2-NE 3.46Å; E96-R182 IonicContact OE2-NH2 3.77Å; E96-R182 PolarHBondContact OE2-NH2 3.29Å
183Y95.6Very high95.6Very high96 Ų9661 Ų6138%0.37632%0.321SS..EExtended strand (participates in β ladder)trans-155.4154.9175.256.6-94.4000111.5Y87 F88 G139 I140 F142 I143Y87-Y183 HydrophobicContact CD1-CD2 4.03Å; Y87-Y183 HydrophobicContact CE1-CD2 4.32Å; F88-Y183 WeakPolarHBondContact O-CA 3.31Å; G139-Y183 WeakPolarHBondContact O-CE1 3.4Å; I140-Y183 HydrophobicContact CG2-CD1 3.64Å; I140-Y183 HydrophobicContact CG2-CE1 4.03Å; F142-Y183 AromaticContact CE1-CE1 3.97Å; F142-Y183 HydrophobicContact CE1-CE1 3.97Å; F142-Y183 AromaticContact CE1-CE2 3.82Å; F142-Y183 HydrophobicContact CE1-CE2 3.82Å; F142-Y183 AromaticContact CE1-CZ 3.44Å; F142-Y183 VanDerWaalsContact CE1-CZ 3.44Å; F142-Y183 VanDerWaalsContact CE1-OH 3.31Å; F142-Y183 WeakPolarHBondContact CE1-OH 3.5Å; F142-Y183 HydrophobicContact CZ-CD2 4.06Å; F142-Y183 HydrophobicContact CZ-CE1 4.38Å; F142-Y183 AromaticContact CZ-CE2 3.42Å; F142-Y183 HydrophobicContact CZ-CE2 3.42Å; F142-Y183 VanDerWaalsContact CZ-CE2 3.42Å; F142-Y183 AromaticContact CZ-CZ 3.59Å; I143-Y183 HydrophobicContact CD1-CD2 4.23Å; I143-Y183 HydrophobicContact CD1-CG 4.09Å
184H96.3Very high95.4Very high36 Ų3659.6 Ų59.617%0.16733%0.332CS..EExtended strand (participates in β ladder)trans-146.7154.4166.354.7-106.8000110Y87 F88 Y90 I201 P203Y87-H184 WeakPolarHBondContact CA-O 3.23Å; F88-H184 AromaticContact CD1-CE1 3.85Å; F88-H184 AromaticContact CD1-NE2 3.89Å; F88-H184 PolarHBondContact N-O 2.81Å; F88-H184 PolarHBondContact O-N 2.99Å; F88-H184 VanDerWaalsContact O-N 3.14Å; Y90-H184 AromaticContact CE1-CE1 3.51Å; Y90-H184 AromaticContact CE1-ND1 3.35Å; Y90-H184 VanDerWaalsContact CE1-ND1 3.35Å; Y90-H184 WeakPolarHBondContact CE1-ND1 3.12Å; Y90-H184 AromaticContact CZ-ND1 3.78Å; Y90-H184 PolarHBondContact OH-ND1 3.02Å; H184-I201 PolarHBondContact NE2-O 3.26Å; H184-P203 HydrophobicContact CB-CB 4.07Å
185A96.7Very high95Very high4 Ų464.7 Ų64.73%0.03335%0.352CS..EExtended strand (participates in β ladder)trans-67.8142.1174.900000110Q85 Y87 P203 I204 D206Q85-A185 HydrophobicContact CG-CB 4.4Å; Y87-A185 HydrophobicContact CD1-CB 4.26Å; Y87-A185 HydrophobicContact CE1-CB 3.89Å; A185-P203 CarbonylContact O-C 3.59Å; A185-P203 WeakPolarHBondContact O-CA 3.37Å; A185-I204 HydrophobicContact CB-CD1 4.49Å; A185-I204 HydrophobicContact CB-CG1 3.81Å; A185-I204 PolarHBondContact O-N 3.48Å; A185-D206 HydrophobicContact CB-CB 3.61Å
186V96.4Very high94.7Very high0 Ų071 Ų710%039%0.386CS..  trans-124169176.7-61.30000111.6Y75 Q85 P86 F88 V190 N200 I204Y75-V186 HydrophobicContact CD1-CG2 4.3Å; Y75-V186 HydrophobicContact CE1-CG2 4.42Å; Q85-V186 PolarHBondContact NE2-O 3.33Å; P86-V186 HydrophobicContact CB-CG2 3.74Å; P86-V186 HydrophobicContact CG-CG2 3.96Å; P86-V186 WeakPolarHBondContact CG-O 3.41Å; P86-V186 PolarHBondContact O-N 2.98Å; F88-V186 HydrophobicContact CB-CG1 3.65Å; V186-V190 HydrophobicContact CG2-CG1 4.27Å; V186-N200 WeakPolarHBondContact CB-O 3.33Å; V186-I204 VanDerWaalsContact O-CD1 3.24Å; V186-I204 WeakPolarHBondContact O-CD1 3.44Å
187S95Very high94.5Very high45 Ų4569.6 Ų69.632%0.31539%0.386SS..  trans-64.8148.7176.9179.50000112.2R189 V190S187-R189 PolarHBondContact O-N 3Å; S187-R189 WeakPolarHBondContact OG-CB 3.48Å; S187-R189 PolarHBondContact OG-N 3.24Å; S187-V190 WeakPolarHBondContact O-CG1 3.44Å; S187-V190 PolarHBondContact O-N 2.99Å
188T94.6Very high94.2Very high77 Ų7768.7 Ų68.747%0.47238%0.384SS..G310 helixtrans-64.1-5.9170.254.90000113.4V190 N191T188-V190 PolarHBondContact O-N 3.03Å; T188-N191 WeakPolarHBondContact O-CB 3.24Å; T188-N191 PolarHBondContact O-N 3.22Å; T188-N191 PolarHBondContact O-ND2 2.91Å
189R94.8Very high94Very high43 Ų4372.2 Ų72.216%0.16240%0.402CS..G310 helixtrans-52.3-37.1173.1-154.9-174.983.2114.818.6112.1S187 N191 H192 Y195 D197 E199 N200S187-R189 PolarHBondContact O-N 3Å; S187-R189 WeakPolarHBondContact OG-CB 3.48Å; S187-R189 PolarHBondContact OG-N 3.24Å; R189-N191 PolarHBondContact O-N 2.94Å; R189-H192 PolarHBondContact O-N 2.71Å; R189-Y195 HydrophobicContact CB-CD2 4.47Å; R189-Y195 HydrophobicContact CG-CD2 3.38Å; R189-Y195 HydrophobicContact CG-CE2 3.92Å; R189-Y195 HydrophobicContact CG-CG 3.85Å; R189-Y195 WeakPolarHBondContact O-CD2 3.47Å; R189-D197 IonicContact CZ-OD1 3.39Å; R189-D197 VanDerWaalsContact CZ-OD1 3.24Å; R189-D197 IonicContact CZ-OD2 2.7Å; R189-D197 IonicContact NH1-OD1 3.37Å; R189-D197 PolarHBondContact NH1-OD1 2.98Å; R189-D197 IonicContact NH1-OD2 2.73Å; R189-D197 PolarHBondContact NH1-OD2 2.88Å; R189-D197 IonicContact NH2-OD1 3.73Å; R189-D197 PolarHBondContact NH2-OD1 2.98Å; R189-D197 IonicContact NH2-OD2 3.24Å; R189-D197 PolarHBondContact NH2-OD2 2.93Å; R189-E199 IonicContact CZ-OE2 3.26Å; R189-E199 IonicContact NE-OE2 2.69Å; R189-E199 IonicContact NH1-OE2 2.61Å; R189-E199 PolarHBondContact NH1-OE2 3.43Å; R189-N200 PolarHBondContact NE-OD1 3.25Å; R189-N200 VanDerWaalsContact NH2-CG 3.32Å; R189-N200 PolarHBondContact NH2-ND2 2.79Å; R189-N200 PolarHBondContact NH2-OD1 2.85Å
190V95.2Very high94Very high20 Ų2069.2 Ų69.212%0.12138%0.375CS..G310 helixtrans-58.6-18.217773.80000114Y75 W77 P86 V186 S187 T188 H192 N200Y75-V190 HydrophobicContact CD1-CG2 3.8Å; Y75-V190 HydrophobicContact CD2-CG2 3.77Å; Y75-V190 HydrophobicContact CE1-CG2 3.67Å; Y75-V190 HydrophobicContact CE2-CG2 3.63Å; Y75-V190 HydrophobicContact CG-CG2 3.83Å; W77-V190 HydrophobicContact CZ2-CG1 3.96Å; P86-V190 HydrophobicContact CB-CG1 3.75Å; P86-V190 HydrophobicContact CG-CG1 3.95Å; V186-V190 HydrophobicContact CG2-CG1 4.27Å; S187-V190 WeakPolarHBondContact O-CG1 3.44Å; S187-V190 PolarHBondContact O-N 2.99Å; T188-V190 PolarHBondContact O-N 3.03Å; V190-H192 PolarHBondContact O-N 3.4Å; V190-N200 HydrophobicContact CB-CB 4.48Å; V190-N200 HydrophobicContact CG2-CB 4.42Å
191N94.6Very high94Very high79 Ų7966.8 Ų66.842%0.42236%0.357SS..G310 helixtrans-67.9-18176.4-61.6-15.8000113W77 T188 R189W77-N191 VanDerWaalsContact CE2-OD1 3.31Å; W77-N191 WeakPolarHBondContact CZ2-OD1 3.48Å; W77-N191 PolarHBondContact NE1-OD1 3Å; T188-N191 WeakPolarHBondContact O-CB 3.24Å; T188-N191 PolarHBondContact O-N 3.22Å; T188-N191 PolarHBondContact O-ND2 2.91Å; R189-N191 PolarHBondContact O-N 2.94Å
192H94.4Very high94Very high117 Ų11769.6 Ų69.654%0.54237%0.369SS..SBendtrans-109.1108.4179.2-61.8-74.6000109.4R189 V190 A194 Y195R189-H192 PolarHBondContact O-N 2.71Å; V190-H192 PolarHBondContact O-N 3.4Å; H192-A194 PolarHBondContact O-N 3.11Å; H192-Y195 HydrophobicContact CB-CD2 3.54Å; H192-Y195 HydrophobicContact CB-CE2 3.7Å; H192-Y195 HydrophobicContact CB-CG 4.48Å; H192-Y195 AromaticContact CD2-CE2 3.99Å; H192-Y195 WeakPolarHBondContact O-CB 3.49Å; H192-Y195 PolarHBondContact O-N 3.08Å
193S89.6Confident94Very high121 Ų12167.6 Ų67.685%0.84637%0.372SS*.THydrogen-bonded Turntrans-62.5-11.2-177.461.10000115Y195S193-Y195 PolarHBondContact O-N 2.85Å
194A92.2Very high94Very high92 Ų9266 Ų6676%0.7637%0.37SS*.THydrogen-bonded Turntrans-71.9-17.7173.100000112.7H192H192-A194 PolarHBondContact O-N 3.11Å
195Y91.4Very high93.6Very high116 Ų11669.9 Ų69.946%0.45539%0.392SS..  trans-9598.8176.6-61.7-42.2000108.6R189 H192 S193 N200R189-Y195 HydrophobicContact CB-CD2 4.47Å; R189-Y195 HydrophobicContact CG-CD2 3.38Å; R189-Y195 HydrophobicContact CG-CE2 3.92Å; R189-Y195 HydrophobicContact CG-CG 3.85Å; R189-Y195 WeakPolarHBondContact O-CD2 3.47Å; H192-Y195 HydrophobicContact CB-CD2 3.54Å; H192-Y195 HydrophobicContact CB-CE2 3.7Å; H192-Y195 HydrophobicContact CB-CG 4.48Å; H192-Y195 AromaticContact CD2-CE2 3.99Å; H192-Y195 WeakPolarHBondContact O-CB 3.49Å; H192-Y195 PolarHBondContact O-N 3.08Å; S193-Y195 PolarHBondContact O-N 2.85Å; Y195-N200 PolarHBondContact O-ND2 3.27Å
196D91.3Very high92.7Very high153 Ų15372.2 Ų72.282%0.81840%0.404SS*.  trans-123.478.2-178.8-17321.6000109.6
197D92.9Very high91.5Very high70 Ų7075.1 Ų75.137%0.37442%0.424SS..SBendtrans-152172.9176.963.857.7000111.3R189 E199 N200R189-D197 IonicContact CZ-OD1 3.39Å; R189-D197 VanDerWaalsContact CZ-OD1 3.24Å; R189-D197 IonicContact CZ-OD2 2.7Å; R189-D197 IonicContact NH1-OD1 3.37Å; R189-D197 PolarHBondContact NH1-OD1 2.98Å; R189-D197 IonicContact NH1-OD2 2.73Å; R189-D197 PolarHBondContact NH1-OD2 2.88Å; R189-D197 IonicContact NH2-OD1 3.73Å; R189-D197 PolarHBondContact NH2-OD1 2.98Å; R189-D197 IonicContact NH2-OD2 3.24Å; R189-D197 PolarHBondContact NH2-OD2 2.93Å; D197-E199 PolarHBondContact O-N 2.89Å; D197-E199 VanDerWaalsContact O-N 3.08Å; D197-E199 WeakPolarHBondContact OD1-CB 3.16Å; D197-E199 WeakPolarHBondContact OD1-CG 3.39Å; D197-E199 PolarHBondContact OD1-N 3Å; D197-N200 PolarHBondContact O-N 3.42Å
198A92.5Very high89.5Confident43 Ų4381.9 Ų81.936%0.35545%0.448SS..G310 helixtrans-62-15.3-173.900000114.5N200 I201 Q202A198-N200 PolarHBondContact O-N 3.04Å; A198-I201 WeakPolarHBondContact O-CG1 3.35Å; A198-I201 PolarHBondContact O-N 3.18Å; A198-Q202 WeakPolarHBondContact O-CG 3.42Å; A198-Q202 PolarHBondContact O-NE2 3.47Å
199E92.8Very high87.6Confident119 Ų11982.1 Ų82.156%0.55645%0.446SS*.G310 helixtrans-65.9-24.8176.9-63.1-173.4160.700112.2R189 D197 I201 Q202R189-E199 IonicContact CZ-OE2 3.26Å; R189-E199 IonicContact NE-OE2 2.69Å; R189-E199 IonicContact NH1-OE2 2.61Å; R189-E199 PolarHBondContact NH1-OE2 3.43Å; D197-E199 PolarHBondContact O-N 2.89Å; D197-E199 VanDerWaalsContact O-N 3.08Å; D197-E199 WeakPolarHBondContact OD1-CB 3.16Å; D197-E199 WeakPolarHBondContact OD1-CG 3.39Å; D197-E199 PolarHBondContact OD1-N 3Å; E199-I201 PolarHBondContact O-N 2.94Å; E199-Q202 PolarHBondContact O-N 3.38Å
200N94.5Very high85.3Confident8 Ų882.7 Ų82.74%0.04346%0.456CS..G310 helixtrans-68.5-18.8-176.7-72.6-23000114.2Y75 V186 R189 V190 Y195 D197 A198Y75-N200 WeakPolarHBondContact CE1-O 3.41Å; Y75-N200 WeakPolarHBondContact OH-CB 3.49Å; V186-N200 WeakPolarHBondContact CB-O 3.33Å; R189-N200 PolarHBondContact NE-OD1 3.25Å; R189-N200 VanDerWaalsContact NH2-CG 3.32Å; R189-N200 PolarHBondContact NH2-ND2 2.79Å; R189-N200 PolarHBondContact NH2-OD1 2.85Å; V190-N200 HydrophobicContact CB-CB 4.48Å; V190-N200 HydrophobicContact CG2-CB 4.42Å; Y195-N200 PolarHBondContact O-ND2 3.27Å; D197-N200 PolarHBondContact O-N 3.42Å; A198-N200 PolarHBondContact O-N 3.04Å
201I93.9Very high82.7Confident22 Ų2285.6 Ų85.611%0.11349%0.49CS..G310 helixtrans-109.410178.363.7170.5000112.2Y75 F88 V104 H184 A198 E199Y75-I201 HydrophobicContact CE1-CG2 4.13Å; Y75-I201 WeakPolarHBondContact OH-CG2 3.24Å; F88-I201 HydrophobicContact CD1-CB 4.1Å; F88-I201 HydrophobicContact CD1-CG2 4.14Å; F88-I201 HydrophobicContact CD2-CG2 3.81Å; F88-I201 HydrophobicContact CE1-CB 4.22Å; F88-I201 HydrophobicContact CE1-CG2 4.1Å; F88-I201 HydrophobicContact CE2-CG2 3.75Å; F88-I201 HydrophobicContact CG-CB 4.29Å; F88-I201 HydrophobicContact CG-CG2 3.99Å; F88-I201 HydrophobicContact CZ-CG2 3.9Å; V104-I201 HydrophobicContact CG1-CD1 3.78Å; H184-I201 PolarHBondContact NE2-O 3.26Å; A198-I201 WeakPolarHBondContact O-CG1 3.35Å; A198-I201 PolarHBondContact O-N 3.18Å; E199-I201 PolarHBondContact O-N 2.94Å
202Q94.7Very high80Confident76 Ų7688 Ų8836%0.35550%0.499SS..SBendtrans-79.5135.5177.5-60.1-54.9-44.700110.2A198 E199A198-Q202 WeakPolarHBondContact O-CG 3.42Å; A198-Q202 PolarHBondContact O-NE2 3.47Å; E199-Q202 PolarHBondContact O-N 3.38Å
203P95.6Very high76.9Confident82 Ų8291.9 Ų91.953%0.53251%0.514SS..  trans-65.4139.4178.527.1-34.1000111.1H184 A185H184-P203 HydrophobicContact CB-CB 4.07Å; A185-P203 CarbonylContact O-C 3.59Å; A185-P203 WeakPolarHBondContact O-CA 3.37Å
204I94.1Very high74.3Confident64 Ų6496.7 Ų96.733%0.32851%0.514SS..  trans-113.5155.8169.168.2164.4000110.8A185 V186 D206A185-I204 HydrophobicContact CB-CD1 4.49Å; A185-I204 HydrophobicContact CB-CG1 3.81Å; A185-I204 PolarHBondContact O-N 3.48Å; V186-I204 VanDerWaalsContact O-CD1 3.24Å; V186-I204 WeakPolarHBondContact O-CD1 3.44Å; I204-D206 PolarHBondContact O-N 2.76Å
205D87.9Confident71.6Confident117 Ų117102.1 Ų102.163%0.62652%0.52SS*.  trans-77107.5168.7-177.42.9000109.9S207D205-S207 VanDerWaalsContact CG-OG 3.23Å; D205-S207 WeakPolarHBondContact OD1-CB 3.2Å; D205-S207 PolarHBondContact OD1-N 2.73Å; D205-S207 PolarHBondContact OD1-OG 3.39Å; D205-S207 PolarHBondContact OD2-OG 2.94Å
206D77.6Confident69Low52 Ų52101.6 Ų101.628%0.27853%0.534SS..  trans-92.14.5179.471.7-13.1000113.8Y87 A185 I204 K208 L209Y87-D206 PolarHBondContact OH-OD2 2.91Å; A185-D206 HydrophobicContact CB-CB 3.61Å; I204-D206 PolarHBondContact O-N 2.76Å; D206-K208 PolarHBondContact O-N 2.7Å; D206-L209 HydrophobicContact CB-CD1 4.23Å; D206-L209 PolarHBondContact O-N 3.37Å
207S72.8Confident66.7Low61 Ų61102.8 Ų102.843%0.42753%0.534SS..THydrogen-bonded Turntrans-56-26.3-179.562.90000113.5D205D205-S207 VanDerWaalsContact CG-OG 3.23Å; D205-S207 WeakPolarHBondContact OD1-CB 3.2Å; D205-S207 PolarHBondContact OD1-N 2.73Å; D205-S207 PolarHBondContact OD1-OG 3.39Å; D205-S207 PolarHBondContact OD2-OG 2.94Å
208K51.9Low64.3Low188 Ų188103 Ų10382%0.81754%0.539SS*.THydrogen-bonded Turntrans-87-16.1-179.5-63.2-175.6-177.2175.60114.7D206D206-K208 PolarHBondContact O-N 2.7Å
209L55.3Low62.1Low81 Ų81105.3 Ų105.342%0.42455%0.551SS.*THydrogen-bonded Turntrans-85.2-25.2-177-79.6134.7000112.9D206 G211D206-L209 HydrophobicContact CB-CD1 4.23Å; D206-L209 PolarHBondContact O-N 3.37Å; L209-G211 PolarHBondContact O-N 3Å; L209-G211 VanDerWaalsContact O-N 3.08Å
210S46.1Very low59.7Low56 Ų56106.3 Ų106.339%0.39256%0.559SS.*  trans-80.684.6171.957.20000110.7E212S210-E212 PolarHBondContact O-N 3.24Å; S210-E212 VanDerWaalsContact O-N 3.11Å
211G41.1Very low57.7Low80 Ų80113.6 Ų113.683%0.82559%0.593SS**  trans-64.31.7161.700000113.8L209L209-G211 PolarHBondContact O-N 3Å; L209-G211 VanDerWaalsContact O-N 3.08Å
212E36.6Very low56Low129 Ų129115.3 Ų115.360%0.60361%0.607SS**SBendtrans-90.2112.2171.3-73.2-179.5143.400109.5S210 R214S210-E212 PolarHBondContact O-N 3.24Å; S210-E212 VanDerWaalsContact O-N 3.11Å; E212-R214 PolarHBondContact O-N 3.47Å
213K30.7Very low54Low200 Ų200119 Ų11987%0.8762%0.622SS**  trans-44.2113.8170-72.9180177.1179.70109K215K213-K215 PolarHBondContact O-N 3.19Å
214R34.7Very low52.3Low222 Ų222123.1 Ų123.184%0.83863%0.632SS**  trans-47.4110.5162.6-77.9-178.1174.6-178-1.8106.4E212 S216E212-R214 PolarHBondContact O-N 3.47Å; R214-S216 VanDerWaalsContact C-N 3.29Å; R214-S216 PolarHBondContact O-N 3.3Å
215K34.7Very low50.2Low205 Ų205124.2 Ų124.289%0.89165%0.645SS**  trans-61.1104.5163.6-79.8-176.5178.6176.80104.5K213 Q217K213-K215 PolarHBondContact O-N 3.19Å; K215-Q217 PolarHBondContact O-N 3.21Å
216S37.2Very low48.1Very low106 Ų106124.4 Ų124.474%0.74165%0.653SS**  trans-51115.117550.50000107.6R214R214-S216 VanDerWaalsContact C-N 3.29Å; R214-S216 PolarHBondContact O-N 3.3Å
217Q43.8Very low46.9Very low178 Ų178131.7 Ų131.783%0.83268%0.682SS**PPolyproline II helixtrans-57.2130.9162.6-77.4-170-27.100106.7K215K215-Q217 PolarHBondContact O-N 3.21Å
218P41.6Very low45.8Very low73 Ų73138.6 Ų138.647%0.47470%0.704SS.*PPolyproline II helixtrans-65.2143.7179.131.3-35.2000108S222 F223P218-S222 WeakPolarHBondContact CB-OG 3.37Å; P218-F223 HydrophobicContact CG-CE2 4.38Å
219P46.5Very low45.3Very low93 Ų93138.2 Ų138.260%0.60471%0.705SS**PPolyproline II helixtrans-57.2149.5-178.619.9-28.9000110.5E221 S222P219-E221 PolarHBondContact O-N 3.08Å; P219-S222 WeakPolarHBondContact O-CB 3.09Å; P219-S222 PolarHBondContact O-N 3.04Å; P219-S222 PolarHBondContact O-OG 3.19Å
220L42.8Very low44.9Very low140 Ų140144.1 Ų144.173%0.73373%0.728SS**G310 helixtrans-48.5-29-179.7-92.3158.6000113.1S222 F223 F224L220-S222 PolarHBondContact O-N 2.64Å; L220-F223 PolarHBondContact O-N 2.99Å; L220-F224 WeakPolarHBondContact O-CD2 3.45Å
221E51.4Low44.8Very low160 Ų160149.4 Ų149.475%0.74875%0.751SS**G310 helixtrans-61.8-25.6176-60-171.3166.800114.2P219 F223 F224 S225P219-E221 PolarHBondContact O-N 3.08Å; E221-F223 PolarHBondContact O-N 3.31Å; E221-F224 PolarHBondContact O-N 2.82Å; E221-S225 PolarHBondContact O-OG 3.22Å
222S57.8Low45.4Very low58 Ų58158.9 Ų158.941%0.40677%0.769SS.*G310 helixtrans-69.1-21.3177.166.10000113.5P218 P219 L220P218-S222 WeakPolarHBondContact CB-OG 3.37Å; P219-S222 WeakPolarHBondContact O-CB 3.09Å; P219-S222 PolarHBondContact O-N 3.04Å; P219-S222 PolarHBondContact O-OG 3.19Å; L220-S222 PolarHBondContact O-N 2.64Å
223F54Low45.8Very low155 Ų155160.4 Ų160.468%0.6878%0.778SS**G310 helixtrans-82.8-18.4176.8-76.2-88000113.2P218 L220 E221P218-F223 HydrophobicContact CG-CE2 4.38Å; L220-F223 PolarHBondContact O-N 2.99Å; E221-F223 PolarHBondContact O-N 3.31Å
224F60Low46.6Very low168 Ų168158.3 Ų158.374%0.73777%0.773SS**SBendtrans-107.16.9-176.2-66.4-74.4000114.1L220 E221L220-F224 WeakPolarHBondContact O-CD2 3.45Å; E221-F224 PolarHBondContact O-N 2.82Å
225S50.8Low47.3Very low86 Ų86154.8 Ų154.860%0.60177%0.769SS**  trans-80.1123.1175.9-71.10000111.5E221 K227E221-S225 PolarHBondContact O-OG 3.22Å; S225-K227 PolarHBondContact O-N 3.3Å
226P43.7Very low48Very low122 Ų122151.8 Ų151.879%0.79276%0.762SS**  trans-68.2128.7177.66.11.2000110.4K228P226-K228 PolarHBondContact O-N 3.13Å; P226-K228 VanDerWaalsContact O-N 3.12Å
227K50.7Low48.7Very low205 Ų205154.7 Ų154.789%0.89176%0.763SS**  trans-63.1113.8172.1-75.2-178.7178.81760108.9S225 E229S225-K227 PolarHBondContact O-N 3.3Å; K227-E229 PolarHBondContact O-N 3.06Å; K227-E229 VanDerWaalsContact O-N 3.09Å
228K49.9Very low49Very low205 Ų205153.1 Ų153.189%0.89176%0.759SS**  trans-65.7106.2165.2-74.6-175.2178-178.70108.4P226 K230P226-K228 PolarHBondContact O-N 3.13Å; P226-K228 VanDerWaalsContact O-N 3.12Å; K228-K230 PolarHBondContact O-N 3.17Å
229E43Very low49.5Very low180 Ų180158.9 Ų158.984%0.84178%0.779SS**  trans-61121.4162.7-81.3178.714000108.8K227 L231K227-E229 PolarHBondContact O-N 3.06Å; K227-E229 VanDerWaalsContact O-N 3.09Å; E229-L231 PolarHBondContact O-N 3.08Å
230K45.4Very low49.8Very low205 Ų205163.9 Ų163.989%0.89179%0.793SS**  trans-75.7105.8163.8-77.5-173.5175.5-175.90107.2K228 K232K228-K230 PolarHBondContact O-N 3.17Å; K230-K232 PolarHBondContact O-N 3.32Å
231L44.4Very low50.3Low168 Ų168165.9 Ų165.988%0.8880%0.798SS**  trans-61.3129.9159.9-82.4122.7000108.6E229E229-L231 PolarHBondContact O-N 3.08Å
232K53.1Low50.3Low279 Ų279166.5 Ų166.5100%1.21380%0.802SS**  trans-73.20168.9-90.9-177174-179.90110.8K230K230-K232 PolarHBondContact O-N 3.32Å

Retrieved 232 of 232 residues in 195.5 ms (Link to these results)

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