A0A087XVS9_POEFO Loading...

V-rel avian reticuloendotheliosis viral oncogene homolog A

AlphaFold DB , UniProt , Accession A0A087XVS9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 627 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
1M36.6Very low37.5Very low219 Ų219146.2 Ų146.2100%1.07983%0.825SS**  081.30-64176.4-17800106.4
2D35.2Very low37.8Very low160 Ų160147.3 Ų147.386%0.85682%0.824SS**  76.8128.773.3-54.2-33.2000109.4
3G39.6Very low37.6Very low68 Ų68146.7 Ų146.770%0.70182%0.819SS**  cis147.5163.2-2.100000111.5
4V40.3Very low38.1Very low121 Ų121143.4 Ų143.473%0.73381%0.806SS**  trans66.598.6155.4-177.30000117.3
5Y43.8Very low38.7Very low219 Ų219142.4 Ų142.486%0.85981%0.805SS**  trans31.8148130.3-33.4-53.5000121
6G33.7Very low39.2Very low67 Ų67143.9 Ų143.969%0.69180%0.803SS**  cis145.4108.12.700000110.7G8G6-G8 PolarHBondContact O-N 3.12Å; G6-G8 VanDerWaalsContact O-N 3.12Å
7W38.2Very low40.4Very low265 Ų265142.9 Ų142.9100%1.00481%0.805SS**  trans-73.6103.5176.5-8093.2000110.2M9W7-M9 PolarHBondContact O-N 3.03Å
8G35.7Very low42.3Very low67 Ų67138.1 Ų138.169%0.69179%0.786SS**  trans-68.5101.9-17900000112.1G6 T10G6-G8 PolarHBondContact O-N 3.12Å; G6-G8 VanDerWaalsContact O-N 3.12Å; G8-T10 VanDerWaalsContact C-N 3.27Å; G8-T10 PolarHBondContact O-N 3.05Å
9M37.7Very low44.6Very low183 Ų183135.7 Ų135.790%0.90178%0.778SS**  trans-62101.4142.5-70.4-172.975.400106.3W7 S11W7-M9 PolarHBondContact O-N 3.03Å; M9-S11 PolarHBondContact O-N 3.05Å
10T33.2Very low46.9Very low126 Ų126130.3 Ų130.377%0.77375%0.748SS**  trans-57.5114167.846.70000107.4G8 I12G8-T10 VanDerWaalsContact C-N 3.27Å; G8-T10 PolarHBondContact O-N 3.05Å; T10-I12 PolarHBondContact O-N 2.88Å
11S38.2Very low49.1Very low113 Ų113129 Ų12979%0.7973%0.732SS**  trans-53108.9173.3-610000108.4M9 N13M9-S11 PolarHBondContact O-N 3.05Å; S11-N13 PolarHBondContact O-N 3.12Å; S11-N13 VanDerWaalsContact O-N 3.12Å
12I41.5Very low51.9Low159 Ų159119 Ų11982%0.81568%0.683SS**  trans-53.8124.2166-63.8174.1000104.8T10 P14T10-I12 PolarHBondContact O-N 2.88Å; I12-P14 WeakPolarHBondContact O-CD 3.38Å
13N35Very low54.7Low140 Ų140115.2 Ų115.275%0.74966%0.66SS**  trans-45.7117.6-175.1-124.7-24.3000108.4S11 V15S11-N13 PolarHBondContact O-N 3.12Å; S11-N13 VanDerWaalsContact O-N 3.12Å; N13-V15 PolarHBondContact O-N 2.77Å
14P44.9Very low57.5Low100 Ų100112.9 Ų112.965%0.64963%0.631SS**  trans-66.195.8169.627.4-31000105.3I12 Q16I12-P14 WeakPolarHBondContact O-CD 3.38Å; P14-Q16 PolarHBondContact O-N 2.79Å
15V46.5Very low60.2Low129 Ų129110 Ų11078%0.78261%0.611SS**  trans-56.999.9165.6177.10000103.9N13 P17N13-V15 PolarHBondContact O-N 2.77Å; V15-P17 WeakPolarHBondContact O-CD 3.49Å; V15-P17 VanDerWaalsContact O-N 3.08Å
16Q47.5Very low62.8Low166 Ų166100.9 Ų100.978%0.77658%0.576SS**  trans-51.9123.7179.4-72.7-177.2-23.600105.8P14 A18P14-Q16 PolarHBondContact O-N 2.79Å; Q16-A18 VanDerWaalsContact C-N 3.29Å; Q16-A18 PolarHBondContact O-N 2.88Å
17P58.8Low65.9Low128 Ų12899.4 Ų99.483%0.83155%0.551SS**  trans-59.9103.6175.924.1-31.7000105.6V15 S19V15-P17 WeakPolarHBondContact O-CD 3.49Å; V15-P17 VanDerWaalsContact O-N 3.08Å; P17-S19 PolarHBondContact O-N 3.02Å
18A75.8Confident68.7Low56 Ų5686.8 Ų86.846%0.46350%0.503SS..PPolyproline II helixtrans-58.1137.5-164.500000108.4Q16 N66Q16-A18 VanDerWaalsContact C-N 3.29Å; Q16-A18 PolarHBondContact O-N 2.88Å; A18-N66 WeakPolarHBondContact CB-ND2 3.34Å; A18-N66 WeakPolarHBondContact O-CB 3.19Å; A18-N66 VanDerWaalsContact O-CG 3.27Å; A18-N66 PolarHBondContact O-ND2 3.42Å; A18-N66 VanDerWaalsContact O-ND2 3.12Å
19S84.9Confident71.6Confident92 Ų9286.5 Ų86.564%0.64348%0.483SS*.PPolyproline II helixtrans-55.5139.4-170.444.10000110.8P17 Y21 N66P17-S19 PolarHBondContact O-N 3.02Å; S19-Y21 PolarHBondContact O-N 2.58Å; S19-N66 PolarHBondContact O-ND2 3.07Å
20P90.8Very high74.4Confident28 Ų2880.6 Ų80.618%0.18245%0.454CS..PPolyproline II helixtrans-65.4134.4178.525-31.9000110H65 I166 L176P20-H65 WeakPolarHBondContact CA-O 3.38Å; P20-I166 HydrophobicContact CB-CD1 4.37Å; P20-I166 HydrophobicContact CG-CD1 3.72Å; P20-L176 HydrophobicContact CB-CD1 4.38Å; P20-L176 HydrophobicContact CB-CD2 4.03Å; P20-L176 HydrophobicContact CG-CD2 3.77Å
21Y92.6Very high77.3Confident103 Ų10376.4 Ų76.440%0.40442%0.424SS..EExtended strand (participates in β ladder)trans-147162.8-179.574.3-90.1000111.2S19 E23 H65S19-Y21 PolarHBondContact O-N 2.58Å; Y21-E23 HydrophobicContact CE2-CB 4.44Å; Y21-H65 HydrophobicContact CD1-CB 3.86Å; Y21-H65 HydrophobicContact CD2-CB 4.49Å; Y21-H65 AromaticContact CD2-CD2 4Å; Y21-H65 HydrophobicContact CE1-CB 3.48Å; Y21-H65 VanDerWaalsContact CE1-CB 3.48Å; Y21-H65 AromaticContact CE1-CG 3.9Å; Y21-H65 HydrophobicContact CE2-CB 4.17Å; Y21-H65 AromaticContact CE2-CD2 3.38Å; Y21-H65 WeakPolarHBondContact CE2-CD2 3.37Å; Y21-H65 AromaticContact CE2-CG 3.85Å; Y21-H65 AromaticContact CE2-NE2 3.81Å; Y21-H65 HydrophobicContact CG-CB 4.35Å; Y21-H65 AromaticContact CZ-CD2 3.54Å; Y21-H65 AromaticContact CZ-CG 3.51Å; Y21-H65 AromaticContact CZ-ND1 3.96Å; Y21-H65 AromaticContact CZ-NE2 3.95Å; Y21-H65 PolarHBondContact N-O 3.41Å; Y21-H65 PolarHBondContact O-N 2.85Å
22I95.1Very high79.8Confident9 Ų972.2 Ų72.25%0.04640%0.398CS..EExtended strand (participates in β ladder)trans-109.6142.6179.471.6-178.3000110.7K63 I64 F162 A164 L176 V179I22-K63 WeakPolarHBondContact CA-O 3.38Å; I22-I64 HydrophobicContact CB-CD1 4.28Å; I22-I64 HydrophobicContact CG2-CD1 3.54Å; I22-F162 HydrophobicContact CD1-CB 3.77Å; I22-F162 WeakPolarHBondContact CD1-O 3.38Å; I22-A164 HydrophobicContact CD1-CB 4.22Å; I22-A164 HydrophobicContact CG2-CB 3.66Å; I22-L176 HydrophobicContact CG2-CD1 3.88Å; I22-V179 HydrophobicContact CD1-CB 4Å; I22-V179 HydrophobicContact CD1-CG2 4.04Å; I22-V179 HydrophobicContact CG1-CB 3.85Å; I22-V179 HydrophobicContact CG1-CG2 3.48Å; I22-V179 VanDerWaalsContact CG1-CG2 3.48Å
23E96.1Very high82.2Confident81 Ų8165.7 Ų65.738%0.37936%0.364SS..EExtended strand (participates in β ladder)trans-125.5134176.8177.1-174.8-15400108.7Y21 I25 I62 K63 H65Y21-E23 HydrophobicContact CE2-CB 4.44Å; E23-I25 HydrophobicContact CG-CG2 4.17Å; E23-I25 PolarHBondContact O-N 3.45Å; E23-I62 CarbonylContact O-C 3.48Å; E23-I62 WeakPolarHBondContact O-CA 3.39Å; E23-K63 PolarHBondContact N-O 2.86Å; E23-K63 PolarHBondContact O-N 3.27Å; E23-K63 IonicContact OE2-NZ 4Å; E23-H65 WeakPolarHBondContact CB-NE2 3.25Å; E23-H65 IonicContact OE2-CD2 3.93Å; E23-H65 IonicContact OE2-CE1 3.26Å; E23-H65 PolarHBondContact OE2-CE1 2.82Å; E23-H65 VanDerWaalsContact OE2-CE1 3.26Å; E23-H65 IonicContact OE2-NE2 2.69Å; E23-H65 PolarHBondContact OE2-NE2 2.99Å
24I97.9Very high85Confident19 Ų1964 Ų6410%0.09735%0.347CS..EExtended strand (participates in β ladder)trans-83.7102.2171.5-57.3171.8000108.1E26 Q27 I62 F162 V179I24-E26 VanDerWaalsContact CG2-O 3.25Å; I24-E26 WeakPolarHBondContact CG2-O 2.97Å; I24-Q27 HydrophobicContact CG2-CG 4.21Å; I24-I62 HydrophobicContact CG1-CG2 4.16Å; I24-F162 HydrophobicContact CD1-CD2 3.72Å; I24-F162 HydrophobicContact CD1-CE2 3.69Å; I24-F162 HydrophobicContact CG1-CD2 4.05Å; I24-F162 HydrophobicContact CG1-CE2 4.07Å; I24-V179 HydrophobicContact CD1-CG1 3.89Å; I24-V179 HydrophobicContact CG1-CG1 4.02Å
25I97.4Very high87.4Confident59 Ų5959.4 Ų59.430%0.30332%0.318SS..EExtended strand (participates in β ladder)trans-83.5-21.4-179.760.4164.5000113.1E23 A61 K63 I110E23-I25 HydrophobicContact CG-CG2 4.17Å; E23-I25 PolarHBondContact O-N 3.45Å; I25-A61 HydrophobicContact CD1-CB 4.38Å; I25-A61 HydrophobicContact CG1-CB 4.03Å; I25-A61 WeakPolarHBondContact CG1-O 3.29Å; I25-A61 PolarHBondContact N-O 2.72Å; I25-K63 HydrophobicContact CD1-CB 4.41Å; I25-K63 HydrophobicContact CG1-CB 4.48Å; I25-K63 HydrophobicContact CG2-CB 3.46Å; I25-K63 VanDerWaalsContact CG2-CB 3.46Å; I25-K63 HydrophobicContact CG2-CD 4.01Å; I25-K63 HydrophobicContact CG2-CG 4.42Å; I25-I110 HydrophobicContact CD1-CB 4.49Å; I25-I110 HydrophobicContact CD1-CD1 4.01Å; I25-I110 HydrophobicContact CD1-CG1 4.09Å; I25-I110 HydrophobicContact CD1-CG2 3.65Å
26E97.7Very high89.8Confident28 Ų2855.3 Ų55.313%0.13129%0.288CS..EExtended strand (participates in β ladder)trans-136114.6167.5-179.7151-154.100109.6I24 G49 K51 T58 P60 A61I24-E26 VanDerWaalsContact CG2-O 3.25Å; I24-E26 WeakPolarHBondContact CG2-O 2.97Å; E26-G49 WeakPolarHBondContact OE1-CA 3.44Å; E26-K51 WeakPolarHBondContact OE1-CB 3.27Å; E26-K51 PolarHBondContact OE1-N 2.97Å; E26-T58 VanDerWaalsContact OE1-CB 3.27Å; E26-T58 WeakPolarHBondContact OE1-CB 3.16Å; E26-T58 PolarHBondContact OE1-OG1 3.12Å; E26-T58 VanDerWaalsContact OE2-CB 3.31Å; E26-T58 WeakPolarHBondContact OE2-CB 3.36Å; E26-P60 WeakPolarHBondContact O-CA 3.41Å; E26-A61 HydrophobicContact CB-CB 4.07Å; E26-A61 PolarHBondContact N-O 2.76Å; E26-A61 VanDerWaalsContact N-O 3.14Å; E26-A61 PolarHBondContact O-N 3.14Å
27Q98.3Very high92Very high36 Ų3652.4 Ų52.417%0.16827%0.271CS..PPolyproline II helixtrans-70.4157.9174.2-65.1-68.9-15.800110.4I24 G49 E50 Q182I24-Q27 HydrophobicContact CG2-CG 4.21Å; Q27-G49 CarbonylContact O-C 3.5Å; Q27-G49 WeakPolarHBondContact O-CA 3.49Å; Q27-E50 HydrophobicContact CB-CB 4.16Å; Q27-E50 WeakPolarHBondContact O-CB 3.47Å; Q27-E50 PolarHBondContact O-N 2.97Å; Q27-Q182 HydrophobicContact CB-CG 4.44Å; Q27-Q182 HydrophobicContact CG-CG 3.96Å
28P97.8Very high93.6Very high0 Ų053.1 Ų53.10%026%0.261CS..BIsolated β-bridgetrans-65146.4164.430.6-35.6000110.9Q30 I47 P48 P60 L160 I184P28-Q30 PolarHBondContact O-N 2.86Å; P28-I47 HydrophobicContact CB-CG2 3.52Å; P28-P48 CarbonylContact C-O 3.44Å; P28-P48 WeakPolarHBondContact CA-O 3.41Å; P28-P60 HydrophobicContact CB-CG 3.95Å; P28-L160 HydrophobicContact CB-CD1 4.43Å; P28-L160 HydrophobicContact CG-CD1 4.32Å; P28-I184 HydrophobicContact CB-CD1 3.6Å; P28-I184 HydrophobicContact CB-CG1 3.78Å; P28-I184 HydrophobicContact CG-CD1 3.79Å; P28-I184 HydrophobicContact CG-CG1 3.68Å
29K96.1Very high94.3Very high61 Ų6155 Ų5527%0.26527%0.27SS..PPolyproline II helixtrans-61.8123.9169-164.8-171.1172.4-162.10108.2R31 P48 E194K29-R31 VanDerWaalsContact C-N 3.31Å; K29-R31 WeakPolarHBondContact CD-O 3.38Å; K29-R31 VanDerWaalsContact CE-O 3.23Å; K29-R31 WeakPolarHBondContact CE-O 3.48Å; K29-R31 WeakPolarHBondContact CG-O 3.47Å; K29-R31 PolarHBondContact NZ-O 2.99Å; K29-R31 PolarHBondContact O-N 3.37Å; K29-P48 HydrophobicContact CB-CG 3.91Å; K29-P48 PolarHBondContact N-O 2.87Å; K29-E194 WeakPolarHBondContact CE-OE1 3.39Å; K29-E194 IonicContact NZ-OE1 3.84Å; K29-E194 PolarHBondContact NZ-OE1 3.45Å; K29-E194 IonicContact NZ-OE2 3.66Å; K29-E194 PolarHBondContact NZ-OE2 2.87Å
30Q95.9Very high94.6Very high60 Ų6053.6 Ų53.628%0.2825%0.253SS..SBendtrans-67.8-29.9-171.7-57.8-175.833.400112.9P28 Q182 P183 I184 F185P28-Q30 PolarHBondContact O-N 2.86Å; Q30-Q182 HydrophobicContact CG-CB 4.15Å; Q30-P183 WeakPolarHBondContact CA-O 3.44Å; Q30-P183 VanDerWaalsContact CB-O 3.25Å; Q30-P183 WeakPolarHBondContact CB-O 3.32Å; Q30-P183 WeakPolarHBondContact CG-O 3.4Å; Q30-I184 WeakPolarHBondContact O-CA 3.32Å; Q30-F185 HydrophobicContact CB-CD2 4.46Å; Q30-F185 WeakPolarHBondContact O-CD2 3.41Å; Q30-F185 PolarHBondContact O-N 3.18Å
31R94.2Very high93.9Very high38 Ų3856.1 Ų56.114%0.14328%0.284CS..SBendtrans-140.1170.3-173.2-57.6-171.1-169.9-132.53112.4K29 M33 F185 T192 E194 D278 E280K29-R31 VanDerWaalsContact C-N 3.31Å; K29-R31 WeakPolarHBondContact CD-O 3.38Å; K29-R31 VanDerWaalsContact CE-O 3.23Å; K29-R31 WeakPolarHBondContact CE-O 3.48Å; K29-R31 WeakPolarHBondContact CG-O 3.47Å; K29-R31 PolarHBondContact NZ-O 2.99Å; K29-R31 PolarHBondContact O-N 3.37Å; R31-M33 VanDerWaalsContact C-N 3.31Å; R31-M33 PolarHBondContact O-N 2.88Å; R31-F185 HydrophobicContact CG-CB 4.2Å; R31-F185 HydrophobicContact CG-CD2 3.85Å; R31-F185 HydrophobicContact CG-CG 4.41Å; R31-T192 PolarHBondContact NH1-O 2.96Å; R31-E194 HydrophobicContact CB-CB 4.28Å; R31-D278 IonicContact CZ-OD2 3.02Å; R31-D278 VanDerWaalsContact CZ-OD2 3.22Å; R31-D278 IonicContact NH1-OD2 3.85Å; R31-D278 PolarHBondContact NH1-OD2 3.46Å; R31-D278 IonicContact NH2-OD2 3.6Å; R31-D278 PolarHBondContact NH2-OD2 3.38Å; R31-E280 WeakPolarHBondContact CD-OE1 3.17Å; R31-E280 IonicContact CZ-OE1 3.36Å; R31-E280 IonicContact CZ-OE2 2.89Å; R31-E280 IonicContact NE-OE1 2.68Å; R31-E280 IonicContact NE-OE2 2.7Å; R31-E280 VanDerWaalsContact NH1-CD 3.32Å; R31-E280 IonicContact NH1-OE1 3.54Å; R31-E280 IonicContact NH1-OE2 3.23Å; R31-E280 PolarHBondContact NH1-OE2 2.86Å
32G90.4Very high93.1Very high25 Ų2561.1 Ų61.126%0.25830%0.302SS..SBendtrans90.8-24.6-178.600000114.7N187 E194G32-N187 WeakPolarHBondContact CA-ND2 3.26Å; G32-N187 PolarHBondContact O-ND2 3.45Å; G32-E194 WeakPolarHBondContact CA-OE2 3.3Å
33M92.5Very high92.5Very high21 Ų2165.6 Ų65.610%0.10333%0.334CS..  trans-85.7140.7174.7-160.5-85.1-72.900110.6R31 F35 I47 I118 I184 N187R31-M33 VanDerWaalsContact C-N 3.31Å; R31-M33 PolarHBondContact O-N 2.88Å; M33-F35 HydrophobicContact CE-CD1 4.06Å; M33-F35 HydrophobicContact CE-CE1 4.05Å; M33-F35 HydrophobicContact SD-CD1 4.39Å; M33-I47 HydrophobicContact CE-CG1 3.78Å; M33-I118 HydrophobicContact CE-CB 4.44Å; M33-I118 HydrophobicContact CE-CD1 3.83Å; M33-I118 HydrophobicContact CE-CG1 4.19Å; M33-I184 HydrophobicContact CE-CG2 4.06Å; M33-N187 WeakPolarHBondContact O-CB 3.24Å; M33-N187 PolarHBondContact O-N 2.84Å
34R94.1Very high91.9Very high104 Ų10462.2 Ų62.239%0.39232%0.32SS..  trans-112.5135.6178.758.1162.4171.4133.5-8.9112.3R36 E40 D186 N187R34-R36 VanDerWaalsContact NH1-NH1 3.19Å; R34-E40 IonicContact NH1-OE2 3.23Å; R34-E40 PolarHBondContact NH1-OE2 3.13Å; R34-D186 VanDerWaalsContact CA-OD1 3.24Å; R34-D186 WeakPolarHBondContact CA-OD1 3.2Å; R34-N187 HydrophobicContact CB-CB 4.32Å
35F95.8Very high91.4Very high5 Ų563 Ų632%0.02233%0.333CS..  trans-72.6153.3175.5-52.6-16.3000109.7M33 H89 I118 C120 V158 I184 D186M33-F35 HydrophobicContact CE-CD1 4.06Å; M33-F35 HydrophobicContact CE-CE1 4.05Å; M33-F35 HydrophobicContact SD-CD1 4.39Å; F35-H89 AromaticContact CD2-CD2 3.56Å; F35-H89 AromaticContact CD2-NE2 3.43Å; F35-H89 WeakPolarHBondContact CD2-NE2 3.27Å; F35-H89 AromaticContact CE2-CD2 3.87Å; F35-H89 AromaticContact CE2-NE2 3.79Å; F35-I118 HydrophobicContact CB-CG2 4.07Å; F35-I118 HydrophobicContact CD1-CB 3.72Å; F35-I118 HydrophobicContact CD1-CD1 3.95Å; F35-I118 HydrophobicContact CD1-CG1 4.41Å; F35-I118 HydrophobicContact CD1-CG2 3.67Å; F35-I118 HydrophobicContact CD2-CG2 4.04Å; F35-I118 HydrophobicContact CE1-CB 4.22Å; F35-I118 HydrophobicContact CE1-CD1 3.52Å; F35-I118 HydrophobicContact CE1-CG1 4.45Å; F35-I118 HydrophobicContact CE1-CG2 4.13Å; F35-I118 HydrophobicContact CE2-CG2 4.44Å; F35-I118 HydrophobicContact CG-CB 4.15Å; F35-I118 HydrophobicContact CG-CG2 3.64Å; F35-I118 HydrophobicContact CZ-CD1 4.12Å; F35-I118 HydrophobicContact CZ-CG2 4.49Å; F35-C120 HydrophobicContact CB-CB 3.85Å; F35-V158 HydrophobicContact CE2-CG1 4.18Å; F35-V158 HydrophobicContact CZ-CG1 4.34Å; F35-V158 HydrophobicContact CZ-CG2 4.14Å; F35-I184 HydrophobicContact CE1-CG2 4Å; F35-I184 HydrophobicContact CZ-CG2 4.45Å; F35-D186 HydrophobicContact CD1-CB 4.39Å; F35-D186 HydrophobicContact CD2-CB 3.64Å; F35-D186 HydrophobicContact CE1-CB 4.48Å; F35-D186 HydrophobicContact CE2-CB 3.78Å; F35-D186 HydrophobicContact CG-CB 3.96Å; F35-D186 HydrophobicContact CZ-CB 4.2Å; F35-D186 PolarHBondContact N-OD1 3.2Å
36R95.6Very high91.2Very high42 Ų4262 Ų6216%0.15833%0.331CS..EExtended strand (participates in β ladder)trans-123.5136.9-170.8-58.2-53.7-158.895.221.4113.3R34 E40 A44 I118 Q119 C120R34-R36 VanDerWaalsContact NH1-NH1 3.19Å; R36-E40 VanDerWaalsContact CA-OE1 3.28Å; R36-E40 WeakPolarHBondContact CA-OE1 3.39Å; R36-E40 WeakPolarHBondContact CD-OE1 3.26Å; R36-E40 IonicContact CZ-OE2 2.74Å; R36-E40 IonicContact NE-OE2 2.81Å; R36-E40 IonicContact NH1-OE2 3.7Å; R36-E40 PolarHBondContact NH1-OE2 3.17Å; R36-A44 HydrophobicContact CB-CB 4.26Å; R36-A44 HydrophobicContact CG-CB 4.25Å; R36-I118 PolarHBondContact N-O 3.01Å; R36-Q119 CarbonylContact O-C 3.57Å; R36-Q119 WeakPolarHBondContact O-CA 3.49Å; R36-C120 PolarHBondContact O-N 2.93Å; R36-C120 PolarHBondContact O-SG 2.79Å
37Y94.8Very high91.2Very high105 Ų10560.8 Ų60.841%0.41233%0.325SS..EExtended strand (participates in β ladder)trans-76.7149174-70.1-73.6000111.7C39 E40 C120 K122Y37-C39 PolarHBondContact O-N 3.44Å; Y37-E40 PolarHBondContact N-OE1 3.42Å; Y37-E40 WeakPolarHBondContact O-CB 3.21Å; Y37-E40 PolarHBondContact O-N 2.69Å; Y37-C120 WeakPolarHBondContact CD1-O 3.26Å; Y37-K122 HydrophobicContact CD1-CG 4.1Å; Y37-K122 HydrophobicContact CE1-CG 3.84Å
38K91.4Very high91.1Very high143 Ų14360.5 Ų60.562%0.62233%0.327SS*.G310 helixtrans-53.5-26174.760.5-173.4174.6-172.90114.4Q119K38-Q119 HydrophobicContact CB-CG 4.4Å
39C91.3Very high91.1Very high97 Ų9760.5 Ų60.566%0.65533%0.327SS*.G310 helixtrans-85.51.5177.159.50000115.7Y37 G41Y37-C39 PolarHBondContact O-N 3.44Å; C39-G41 PolarHBondContact O-N 3.26Å
40E90.1Very high91.1Very high62 Ų6262 Ų6229%0.2933%0.334SS..G310 helixtrans-76.8-4.6178.7-80.7-175.5-107.300114.5R34 R36 Y37 R42R34-E40 IonicContact NH1-OE2 3.23Å; R34-E40 PolarHBondContact NH1-OE2 3.13Å; R36-E40 VanDerWaalsContact CA-OE1 3.28Å; R36-E40 WeakPolarHBondContact CA-OE1 3.39Å; R36-E40 WeakPolarHBondContact CD-OE1 3.26Å; R36-E40 IonicContact CZ-OE2 2.74Å; R36-E40 IonicContact NE-OE2 2.81Å; R36-E40 IonicContact NH1-OE2 3.7Å; R36-E40 PolarHBondContact NH1-OE2 3.17Å; Y37-E40 PolarHBondContact N-OE1 3.42Å; Y37-E40 WeakPolarHBondContact O-CB 3.21Å; Y37-E40 PolarHBondContact O-N 2.69Å; E40-R42 PolarHBondContact O-N 2.95Å
41G76.4Confident91Very high80 Ų8065.7 Ų65.783%0.82535%0.35SS*.  trans63.313170.600000115.9C39C39-G41 PolarHBondContact O-N 3.26Å
42R76.3Confident91.1Very high208 Ų20864.9 Ų64.979%0.78535%0.35SS*.SBendtrans-132.7157.2-178.1-63.2179.5-172.8-119.30.6109.3E40E40-R42 PolarHBondContact O-N 2.95Å
43S83.3Confident91.2Very high104 Ų10467.2 Ų67.273%0.72736%0.357SS*.  trans-57147.5169.458.30000110.5G45S43-G45 PolarHBondContact O-N 2.78Å
44A82.8Confident91Very high9 Ų973.3 Ų73.37%0.07439%0.39CS..  trans-69.63.7-173.400000114.5R36 V92R36-A44 HydrophobicContact CB-CB 4.26Å; R36-A44 HydrophobicContact CG-CB 4.25Å; A44-V92 HydrophobicContact CB-CG2 3.52Å
45G87.9Confident91Very high36 Ų3674.8 Ų74.837%0.37141%0.41SS..  trans85.3-167.6-170.100000112.3S43S43-G45 PolarHBondContact O-N 2.78Å
46S93.1Very high90.9Very high39 Ų3978.3 Ų78.327%0.27343%0.432SS..  trans-118.2139.8166.4-680000109.3P48 N115 L116S46-P48 VanDerWaalsContact O-CD 3.27Å; S46-P48 WeakPolarHBondContact O-CD 3.46Å; S46-N115 WeakPolarHBondContact OG-CA 3.41Å; S46-N115 PolarHBondContact OG-N 3.48Å; S46-L116 CarbonylContact C-O 3.54Å; S46-L116 VanDerWaalsContact CA-O 3.25Å; S46-L116 WeakPolarHBondContact CA-O 3.48Å
47I96.5Very high90.9Very high1 Ų181.6 Ų81.61%0.00545%0.448CS..  trans-65.5114.9164.1-61.2156.7000106.8P28 M33 P60 L91 L116 I118 L160 I184P28-I47 HydrophobicContact CB-CG2 3.52Å; M33-I47 HydrophobicContact CE-CG1 3.78Å; I47-P60 HydrophobicContact CB-CG 4.31Å; I47-P60 HydrophobicContact CG2-CG 3.7Å; I47-P60 VanDerWaalsContact O-CD 3.3Å; I47-P60 WeakPolarHBondContact O-CD 3.23Å; I47-L91 HydrophobicContact CD1-CD1 3.95Å; I47-L116 HydrophobicContact CD1-CB 4.02Å; I47-L116 WeakPolarHBondContact CG1-O 3.37Å; I47-L116 PolarHBondContact N-O 3.35Å; I47-I118 HydrophobicContact CD1-CD1 4.32Å; I47-I118 HydrophobicContact CD1-CG1 4.15Å; I47-I118 HydrophobicContact CG1-CD1 4.47Å; I47-I118 HydrophobicContact CG1-CG1 4.41Å; I47-L160 HydrophobicContact CD1-CD1 4.47Å; I47-L160 HydrophobicContact CD1-CD2 4.11Å; I47-I184 HydrophobicContact CD1-CD1 4.33Å; I47-I184 HydrophobicContact CG1-CD1 4.48Å; I47-I184 HydrophobicContact CG2-CD1 3.93Å
48P96.8Very high91Very high30 Ų3078.2 Ų78.220%0.19544%0.438CS..  trans-77.6156.6174.931-29.4000110.4P28 K29 S46P28-P48 CarbonylContact C-O 3.44Å; P28-P48 WeakPolarHBondContact CA-O 3.41Å; K29-P48 HydrophobicContact CB-CG 3.91Å; K29-P48 PolarHBondContact N-O 2.87Å; S46-P48 VanDerWaalsContact O-CD 3.27Å; S46-P48 WeakPolarHBondContact O-CD 3.46Å
49G97.3Very high91.2Very high0 Ų074 Ų740%042%0.419CS..BIsolated β-bridgetrans-71.6159169.200000112.1E26 Q27 K51 S52 T58E26-G49 WeakPolarHBondContact OE1-CA 3.44Å; Q27-G49 CarbonylContact O-C 3.5Å; Q27-G49 WeakPolarHBondContact O-CA 3.49Å; G49-K51 PolarHBondContact O-N 2.88Å; G49-S52 WeakPolarHBondContact O-CB 3.45Å; G49-S52 PolarHBondContact O-N 2.95Å; G49-T58 PolarHBondContact N-O 2.79Å
50E96.3Very high91.5Very high92 Ų9269.4 Ų69.443%0.4339%0.388SS..THydrogen-bonded Turntrans-60.6-27.2-179.2-175.6172-12500112.9Q27Q27-E50 HydrophobicContact CB-CB 4.16Å; Q27-E50 WeakPolarHBondContact O-CB 3.47Å; Q27-E50 PolarHBondContact O-N 2.97Å
51K94.8Very high91.9Very high138 Ų13866.8 Ų66.860%0.638%0.376SS*.THydrogen-bonded Turntrans-94.83178.3-61.2161.7-173.9162.10112.9E26 G49 N53E26-K51 WeakPolarHBondContact OE1-CB 3.27Å; E26-K51 PolarHBondContact OE1-N 2.97Å; G49-K51 PolarHBondContact O-N 2.88Å; K51-N53 PolarHBondContact O-N 2.96Å; K51-N53 PolarHBondContact O-ND2 3.26Å
52S95.1Very high92.8Very high22 Ų2263 Ų6315%0.15434%0.337CS..  trans-72119.6-176.3-1610000110.4G49 K57 T58G49-S52 WeakPolarHBondContact O-CB 3.45Å; G49-S52 PolarHBondContact O-N 2.95Å; S52-K57 WeakPolarHBondContact OG-CA 3.44Å; S52-T58 VanDerWaalsContact CA-OG1 3.26Å; S52-T58 WeakPolarHBondContact CA-OG1 3.29Å; S52-T58 VanDerWaalsContact CB-OG1 3.29Å; S52-T58 WeakPolarHBondContact CB-OG1 3.26Å; S52-T58 PolarHBondContact N-OG1 2.57Å; S52-T58 VanDerWaalsContact N-OG1 3.07Å; S52-T58 PolarHBondContact OG-N 2.96Å; S52-T58 PolarHBondContact OG-O 3.19Å
53N92.8Very high93.7Very high74 Ų7456.2 Ų56.240%0.39631%0.313SS..  trans-118.4-168.6178.560.473.8000109.7K51 T55 T56 K57K51-N53 PolarHBondContact O-N 2.96Å; K51-N53 PolarHBondContact O-ND2 3.26Å; N53-T55 PolarHBondContact OD1-N 2.93Å; N53-T56 PolarHBondContact N-O 3.45Å; N53-T56 PolarHBondContact ND2-OG1 2.7Å; N53-T56 PolarHBondContact OD1-N 3.42Å; N53-T56 PolarHBondContact OD1-OG1 3.32Å; N53-K57 VanDerWaalsContact O-CD 3.29Å; N53-K57 WeakPolarHBondContact O-CD 3.31Å; N53-K57 WeakPolarHBondContact O-CE 3.38Å; N53-K57 PolarHBondContact O-NZ 2.94Å
54D89.3Confident94.2Very high149 Ų14951.4 Ų51.480%0.79728%0.28SS*.SBendtrans-78.7-24.8-177.4-74.6-39.6000115.5K57D54-K57 IonicContact OD1-NZ 3.22Å; D54-K57 PolarHBondContact OD1-NZ 3.05Å
55T93.2Very high94.7Very high135 Ų13552.4 Ų52.483%0.82828%0.283SS*.SBendtrans-88-45.7176.3-48.90000112N53N53-T55 PolarHBondContact OD1-N 2.93Å
56T94.4Very high94.8Very high78 Ų7855.1 Ų55.148%0.47929%0.288SS..SBendtrans-114.4106.1-17963.90000110.6N53N53-T56 PolarHBondContact N-O 3.45Å; N53-T56 PolarHBondContact ND2-OG1 2.7Å; N53-T56 PolarHBondContact OD1-N 3.42Å; N53-T56 PolarHBondContact OD1-OG1 3.32Å
57K94.7Very high94.5Very high111 Ų11155.4 Ų55.448%0.48328%0.284SS..  trans-82.3117.1175.3-58.8-63.7171.1-169.40110.1S52 N53 D54S52-K57 WeakPolarHBondContact OG-CA 3.44Å; N53-K57 VanDerWaalsContact O-CD 3.29Å; N53-K57 WeakPolarHBondContact O-CD 3.31Å; N53-K57 WeakPolarHBondContact O-CE 3.38Å; N53-K57 PolarHBondContact O-NZ 2.94Å; D54-K57 IonicContact OD1-NZ 3.22Å; D54-K57 PolarHBondContact OD1-NZ 3.05Å
58T96.5Very high94Very high35 Ų3559.3 Ų59.322%0.21531%0.311CS..  trans-114.4170.6174.1670000110.6E26 G49 S52E26-T58 VanDerWaalsContact OE1-CB 3.27Å; E26-T58 WeakPolarHBondContact OE1-CB 3.16Å; E26-T58 PolarHBondContact OE1-OG1 3.12Å; E26-T58 VanDerWaalsContact OE2-CB 3.31Å; E26-T58 WeakPolarHBondContact OE2-CB 3.36Å; G49-T58 PolarHBondContact N-O 2.79Å; S52-T58 VanDerWaalsContact CA-OG1 3.26Å; S52-T58 WeakPolarHBondContact CA-OG1 3.29Å; S52-T58 VanDerWaalsContact CB-OG1 3.29Å; S52-T58 WeakPolarHBondContact CB-OG1 3.26Å; S52-T58 PolarHBondContact N-OG1 2.57Å; S52-T58 VanDerWaalsContact N-OG1 3.07Å; S52-T58 PolarHBondContact OG-N 2.96Å; S52-T58 PolarHBondContact OG-O 3.19Å
59Y97.1Very high93.5Very high55 Ų5558.2 Ų58.222%0.21631%0.306CS..  trans-145.1156.5-167.5-60.3-85.6000110.8A61 Q114Y59-A61 PolarHBondContact O-N 2.96Å; Y59-Q114 HydrophobicContact CD1-CB 4.3Å; Y59-Q114 HydrophobicContact CD1-CG 4.28Å; Y59-Q114 HydrophobicContact CD2-CG 3.73Å; Y59-Q114 HydrophobicContact CE1-CB 4.43Å; Y59-Q114 HydrophobicContact CE2-CG 4.09Å; Y59-Q114 HydrophobicContact CG-CB 4.36Å; Y59-Q114 HydrophobicContact CG-CG 3.84Å
60P97.6Very high93.1Very high0 Ų061.4 Ų61.40%033%0.326CS..  trans-51.9128.8175.1-24.833.4000111.3E26 P28 I47 F113 L160 F162E26-P60 WeakPolarHBondContact O-CA 3.41Å; P28-P60 HydrophobicContact CB-CG 3.95Å; I47-P60 HydrophobicContact CB-CG 4.31Å; I47-P60 HydrophobicContact CG2-CG 3.7Å; I47-P60 VanDerWaalsContact O-CD 3.3Å; I47-P60 WeakPolarHBondContact O-CD 3.23Å; P60-F113 PolarHBondContact O-N 3.23Å; P60-L160 HydrophobicContact CB-CD1 4.24Å; P60-L160 HydrophobicContact CG-CD1 4.26Å; P60-F162 HydrophobicContact CB-CZ 4.47Å
61A97.2Very high92.8Very high6 Ų657.3 Ų57.35%0.0531%0.307CS..EExtended strand (participates in β ladder)trans-140.2138.3-174.900000112.4I25 E26 Y59 H111I25-A61 HydrophobicContact CD1-CB 4.38Å; I25-A61 HydrophobicContact CG1-CB 4.03Å; I25-A61 WeakPolarHBondContact CG1-O 3.29Å; I25-A61 PolarHBondContact N-O 2.72Å; E26-A61 HydrophobicContact CB-CB 4.07Å; E26-A61 PolarHBondContact N-O 2.76Å; E26-A61 VanDerWaalsContact N-O 3.14Å; E26-A61 PolarHBondContact O-N 3.14Å; Y59-A61 PolarHBondContact O-N 2.96Å; A61-H111 CarbonylContact C-O 3.54Å; A61-H111 WeakPolarHBondContact CA-O 3.42Å; A61-H111 WeakPolarHBondContact CB-O 3.39Å
62I96.9Very high92.8Very high0 Ų055.1 Ų55.10%030%0.295CS..EExtended strand (participates in β ladder)trans-110.9154.5174.372.2-175.7000111.3E23 I24 I64 V73 I110 H111 F113 F162E23-I62 CarbonylContact O-C 3.48Å; E23-I62 WeakPolarHBondContact O-CA 3.39Å; I24-I62 HydrophobicContact CG1-CG2 4.16Å; I62-I64 HydrophobicContact CD1-CD1 4.06Å; I62-I64 HydrophobicContact CG1-CD1 4.28Å; I62-V73 HydrophobicContact CD1-CG1 4.21Å; I62-V73 HydrophobicContact CD1-CG2 4.29Å; I62-I110 WeakPolarHBondContact O-CA 3.45Å; I62-H111 HydrophobicContact CG1-CB 4.46Å; I62-H111 PolarHBondContact N-O 2.92Å; I62-H111 PolarHBondContact O-N 3.23Å; I62-F113 HydrophobicContact CB-CE2 4.4Å; I62-F113 HydrophobicContact CD1-CE2 3.91Å; I62-F113 HydrophobicContact CD1-CZ 3.81Å; I62-F113 HydrophobicContact CG1-CE2 3.77Å; I62-F113 HydrophobicContact CG1-CZ 4Å; I62-F113 HydrophobicContact CG2-CE2 4.12Å; I62-F162 HydrophobicContact CD1-CD1 4.38Å; I62-F162 HydrophobicContact CG2-CD1 3.59Å; I62-F162 HydrophobicContact CG2-CD2 4.37Å; I62-F162 HydrophobicContact CG2-CE1 3.72Å; I62-F162 HydrophobicContact CG2-CE2 4.47Å; I62-F162 HydrophobicContact CG2-CG 3.94Å; I62-F162 HydrophobicContact CG2-CZ 4.17Å
63K95.1Very high92.7Very high67 Ų6754 Ų5429%0.29129%0.288SS..EExtended strand (participates in β ladder)trans-118.5139169.3176.5-178.6165.4-164.20109.6I22 E23 I25 H65 R109 I110I22-K63 WeakPolarHBondContact CA-O 3.38Å; E23-K63 PolarHBondContact N-O 2.86Å; E23-K63 PolarHBondContact O-N 3.27Å; E23-K63 IonicContact OE2-NZ 4Å; I25-K63 HydrophobicContact CD1-CB 4.41Å; I25-K63 HydrophobicContact CG1-CB 4.48Å; I25-K63 HydrophobicContact CG2-CB 3.46Å; I25-K63 VanDerWaalsContact CG2-CB 3.46Å; I25-K63 HydrophobicContact CG2-CD 4.01Å; I25-K63 HydrophobicContact CG2-CG 4.42Å; K63-H65 WeakPolarHBondContact CE-CE1 3.45Å; K63-H65 PolarHBondContact NZ-CE1 2.91Å; K63-R109 CarbonylContact C-O 3.5Å; K63-R109 WeakPolarHBondContact CA-O 3.2Å; K63-R109 WeakPolarHBondContact CG-O 3.48Å; K63-I110 HydrophobicContact CB-CG1 4.25Å; K63-I110 HydrophobicContact CG-CG1 4.2Å
64I93.4Very high92.9Very high3 Ų352.5 Ų52.52%0.01528%0.276CS..EExtended strand (participates in β ladder)trans-100.1132.6174.3-42.7-60.1000108.3I22 I62 L71 R109I22-I64 HydrophobicContact CB-CD1 4.28Å; I22-I64 HydrophobicContact CG2-CD1 3.54Å; I62-I64 HydrophobicContact CD1-CD1 4.06Å; I62-I64 HydrophobicContact CG1-CD1 4.28Å; I64-L71 HydrophobicContact CD1-CD1 4.41Å; I64-L71 HydrophobicContact CD1-CD2 3.61Å; I64-L71 HydrophobicContact CG1-CD2 3.69Å; I64-R109 PolarHBondContact N-O 3.01Å
65H92.2Very high93.2Very high30 Ų3045.4 Ų45.414%0.13924%0.238CC..EExtended strand (participates in β ladder)trans-110.6150.4175.9-63.9-102.4000110.4P20 Y21 E23 K63 Y67P20-H65 WeakPolarHBondContact CA-O 3.38Å; Y21-H65 HydrophobicContact CD1-CB 3.86Å; Y21-H65 HydrophobicContact CD2-CB 4.49Å; Y21-H65 AromaticContact CD2-CD2 4Å; Y21-H65 HydrophobicContact CE1-CB 3.48Å; Y21-H65 VanDerWaalsContact CE1-CB 3.48Å; Y21-H65 AromaticContact CE1-CG 3.9Å; Y21-H65 HydrophobicContact CE2-CB 4.17Å; Y21-H65 AromaticContact CE2-CD2 3.38Å; Y21-H65 WeakPolarHBondContact CE2-CD2 3.37Å; Y21-H65 AromaticContact CE2-CG 3.85Å; Y21-H65 AromaticContact CE2-NE2 3.81Å; Y21-H65 HydrophobicContact CG-CB 4.35Å; Y21-H65 AromaticContact CZ-CD2 3.54Å; Y21-H65 AromaticContact CZ-CG 3.51Å; Y21-H65 AromaticContact CZ-ND1 3.96Å; Y21-H65 AromaticContact CZ-NE2 3.95Å; Y21-H65 PolarHBondContact N-O 3.41Å; Y21-H65 PolarHBondContact O-N 2.85Å; E23-H65 WeakPolarHBondContact CB-NE2 3.25Å; E23-H65 IonicContact OE2-CD2 3.93Å; E23-H65 IonicContact OE2-CE1 3.26Å; E23-H65 PolarHBondContact OE2-CE1 2.82Å; E23-H65 VanDerWaalsContact OE2-CE1 3.26Å; E23-H65 IonicContact OE2-NE2 2.69Å; E23-H65 PolarHBondContact OE2-NE2 2.99Å; K63-H65 WeakPolarHBondContact CE-CE1 3.45Å; K63-H65 PolarHBondContact NZ-CE1 2.91Å; H65-Y67 PolarHBondContact O-N 3.01Å
66N90.4Very high93.4Very high92 Ų9239 Ų3949%0.49220%0.199SC..SBendtrans57.811.9175.9-41.8-39.7000116.3A18 S19A18-N66 WeakPolarHBondContact CB-ND2 3.34Å; A18-N66 WeakPolarHBondContact O-CB 3.19Å; A18-N66 VanDerWaalsContact O-CG 3.27Å; A18-N66 PolarHBondContact O-ND2 3.42Å; A18-N66 VanDerWaalsContact O-ND2 3.12Å; S19-N66 PolarHBondContact O-ND2 3.07Å
67Y88Confident93.5Very high46 Ų4635.3 Ų35.318%0.1818%0.176CC..  trans-136.9151.9173.3-173.3-105.4000110.9H65 G69 P70 I166 T167H65-Y67 PolarHBondContact O-N 3.01Å; Y67-G69 VanDerWaalsContact CE1-C 3.41Å; Y67-G69 WeakPolarHBondContact CE1-O 3.49Å; Y67-P70 WeakPolarHBondContact CE1-O 3.49Å; Y67-P70 PolarHBondContact OH-O 3.17Å; Y67-I166 HydrophobicContact CD1-CB 4.2Å; Y67-I166 HydrophobicContact CD1-CG2 3.47Å; Y67-I166 VanDerWaalsContact CD1-CG2 3.47Å; Y67-I166 HydrophobicContact CD2-CB 4.22Å; Y67-I166 HydrophobicContact CD2-CD1 3.92Å; Y67-I166 HydrophobicContact CD2-CG2 4.04Å; Y67-I166 HydrophobicContact CE1-CB 3.81Å; Y67-I166 HydrophobicContact CE1-CG2 3.54Å; Y67-I166 HydrophobicContact CE2-CB 3.84Å; Y67-I166 HydrophobicContact CE2-CD1 4Å; Y67-I166 HydrophobicContact CE2-CG1 4.41Å; Y67-I166 HydrophobicContact CE2-CG2 4.11Å; Y67-I166 HydrophobicContact CG-CB 4.39Å; Y67-I166 HydrophobicContact CG-CG2 3.74Å; Y67-T167 PolarHBondContact OH-O 2.91Å
68S84.8Confident93.6Very high82 Ų8230 Ų3057%0.57315%0.153SC*.  trans-158.790.5178.2-168.50000108.2
69G86.6Confident93.6Very high8 Ų829.2 Ų29.28%0.08215%0.149CC..SBendtrans176.5-167.4-172.900000110.9Y67 L71Y67-G69 VanDerWaalsContact CE1-C 3.41Å; Y67-G69 WeakPolarHBondContact CE1-O 3.49Å; G69-L71 PolarHBondContact O-N 2.84Å
70P88Confident93.5Very high66 Ų6630.1 Ų30.143%0.42915%0.154SC..  trans-63.7126.6-177.7-23.735.7000113.4Y67 E107 T167Y67-P70 WeakPolarHBondContact CE1-O 3.49Å; Y67-P70 PolarHBondContact OH-O 3.17Å; P70-E107 WeakPolarHBondContact CD-OE1 3.23Å; P70-T167 PolarHBondContact O-N 2.69Å
71L91Very high93.3Very high6 Ų634.8 Ų34.83%0.03118%0.179CC..EExtended strand (participates in β ladder)trans-134.6119.3-171.717986000110.7I64 G69 V73 L105 A164 I166I64-L71 HydrophobicContact CD1-CD1 4.41Å; I64-L71 HydrophobicContact CD1-CD2 3.61Å; I64-L71 HydrophobicContact CG1-CD2 3.69Å; G69-L71 PolarHBondContact O-N 2.84Å; L71-V73 HydrophobicContact CD2-CG2 3.57Å; L71-V73 HydrophobicContact CG-CG2 3.86Å; L71-L105 HydrophobicContact CD2-CB 4.45Å; L71-L105 HydrophobicContact CD2-CD1 4.25Å; L71-L105 PolarHBondContact O-N 3.2Å; L71-A164 HydrophobicContact CD1-CB 4.29Å; L71-I166 HydrophobicContact CD1-CG2 3.67Å
72R93.5Very high92.9Very high92 Ų9239.4 Ų39.435%0.34721%0.208SC..EExtended strand (participates in β ladder)trans-94.2129.7169.4-168.8165170.7179.4-3.9109.9E102 D104 S165 M173R72-E102 IonicContact CZ-OE2 3.48Å; R72-E102 IonicContact NE-OE2 3.45Å; R72-E102 PolarHBondContact NE-OE2 2.85Å; R72-E102 IonicContact NH2-OE2 2.7Å; R72-E102 PolarHBondContact NH2-OE2 3.11Å; R72-D104 VanDerWaalsContact CB-OD1 3.27Å; R72-D104 WeakPolarHBondContact CB-OD1 3.37Å; R72-D104 VanDerWaalsContact CD-OD1 3.26Å; R72-D104 WeakPolarHBondContact CD-OD1 3.46Å; R72-D104 VanDerWaalsContact CG-OD1 3.26Å; R72-D104 WeakPolarHBondContact CG-OD1 3.5Å; R72-S165 PolarHBondContact N-O 3.43Å; R72-S165 PolarHBondContact O-N 2.84Å; R72-S165 PolarHBondContact O-OG 2.86Å; R72-M173 HydrophobicContact CB-CE 3.86Å; R72-M173 HydrophobicContact CG-CE 4.41Å
73V94.8Very high92.5Very high0 Ų042.4 Ų42.40%023%0.227CC..EExtended strand (participates in β ladder)trans-122.3133179.1177.40000110I62 L71 I75 E102 A103 L105 F113 Q163 A164I62-V73 HydrophobicContact CD1-CG1 4.21Å; I62-V73 HydrophobicContact CD1-CG2 4.29Å; L71-V73 HydrophobicContact CD2-CG2 3.57Å; L71-V73 HydrophobicContact CG-CG2 3.86Å; V73-I75 HydrophobicContact CG1-CG1 4.1Å; V73-E102 WeakPolarHBondContact O-CA 3.35Å; V73-A103 PolarHBondContact N-O 2.85Å; V73-A103 PolarHBondContact O-N 3.27Å; V73-L105 HydrophobicContact CB-CD1 3.85Å; V73-L105 HydrophobicContact CB-CG 4.3Å; V73-L105 HydrophobicContact CG2-CD1 3.48Å; V73-L105 VanDerWaalsContact CG2-CD1 3.48Å; V73-L105 HydrophobicContact CG2-CG 4.1Å; V73-F113 HydrophobicContact CG1-CE1 4.36Å; V73-F113 HydrophobicContact CG1-CZ 4.06Å; V73-Q163 WeakPolarHBondContact CA-O 3.27Å; V73-A164 HydrophobicContact CG2-CB 4.24Å
74R95.3Very high92.5Very high41 Ų4140.8 Ų40.816%0.15522%0.221CC..EExtended strand (participates in β ladder)trans-118.3132.5174.3-174.3-176.7179.3117.8-14108.9Y100 Y101 E102 T136 Q163R74-Y100 HydrophobicContact CG-CD2 3.95Å; R74-Y100 VanDerWaalsContact NH1-CE2 3.26Å; R74-Y100 VanDerWaalsContact NH1-CZ 3.34Å; R74-Y100 VanDerWaalsContact NH2-CE1 3.33Å; R74-Y101 CarbonylContact C-O 3.57Å; R74-Y101 VanDerWaalsContact CA-O 3.23Å; R74-Y101 WeakPolarHBondContact CA-O 3.12Å; R74-E102 HydrophobicContact CB-CG 4.18Å; R74-E102 WeakPolarHBondContact CD-OE1 3.33Å; R74-E102 HydrophobicContact CG-CB 4.47Å; R74-E102 HydrophobicContact CG-CG 4.36Å; R74-E102 IonicContact CZ-OE1 3.98Å; R74-E102 IonicContact NE-OE1 3.76Å; R74-E102 IonicContact NH1-OE1 3.68Å; R74-E102 PolarHBondContact NH1-OE1 3.03Å; R74-T136 PolarHBondContact NH2-O 3.44Å; R74-Q163 HydrophobicContact CB-CB 4.34Å; R74-Q163 PolarHBondContact N-O 2.82Å; R74-Q163 PolarHBondContact O-N 2.91Å; R74-Q163 VanDerWaalsContact O-O 3.11Å
75I97Very high92.5Very high0 Ų040.8 Ų40.80%022%0.221CC..EExtended strand (participates in β ladder)trans-123.7126178.1-45.2168.2000109.3V73 L91 Y100 Y101 F113 L116 L160 C161 F162V73-I75 HydrophobicContact CG1-CG1 4.1Å; I75-L91 HydrophobicContact CB-CD2 4.06Å; I75-L91 HydrophobicContact CG2-CD2 4.1Å; I75-L91 WeakPolarHBondContact O-CD2 3.38Å; I75-Y100 CarbonylContact O-C 3.5Å; I75-Y100 WeakPolarHBondContact O-CA 3.32Å; I75-Y100 WeakPolarHBondContact O-CB 3Å; I75-Y101 HydrophobicContact CB-CD1 4.48Å; I75-Y101 HydrophobicContact CD1-CD1 3.73Å; I75-Y101 HydrophobicContact CD1-CE1 4.28Å; I75-Y101 HydrophobicContact CD1-CG 4.28Å; I75-Y101 HydrophobicContact CG1-CD1 3.91Å; I75-Y101 PolarHBondContact N-O 2.78Å; I75-Y101 PolarHBondContact O-N 3.08Å; I75-F113 HydrophobicContact CD1-CB 4.2Å; I75-F113 HydrophobicContact CD1-CD1 3.57Å; I75-F113 HydrophobicContact CD1-CD2 3.79Å; I75-F113 HydrophobicContact CD1-CE1 3.83Å; I75-F113 HydrophobicContact CD1-CE2 4.02Å; I75-F113 HydrophobicContact CD1-CG 3.55Å; I75-F113 HydrophobicContact CD1-CZ 4.05Å; I75-L116 HydrophobicContact CD1-CD1 4.13Å; I75-L160 HydrophobicContact CG2-CB 4.05Å; I75-C161 WeakPolarHBondContact CA-O 3.46Å; I75-F162 HydrophobicContact CD1-CD1 3.8Å; I75-F162 HydrophobicContact CD1-CE1 3.56Å; I75-F162 HydrophobicContact CG1-CD1 3.7Å; I75-F162 HydrophobicContact CG1-CE1 3.96Å; I75-F162 HydrophobicContact CG2-CD1 4.2Å; I75-F162 HydrophobicContact CG2-CE1 4.16Å
76S96.6Very high92.7Very high0 Ų039.3 Ų39.30%021%0.214CC..EExtended strand (participates in β ladder)trans-128.2161.6-176.954.30000111.6N138 P140 C161S76-N138 VanDerWaalsContact CB-OD1 3.25Å; S76-N138 WeakPolarHBondContact CB-OD1 3.3Å; S76-P140 WeakPolarHBondContact OG-CG 3.38Å; S76-C161 PolarHBondContact N-O 2.83Å; S76-C161 PolarHBondContact O-N 2.91Å
77L97.4Very high93Very high1 Ų135 Ų351%0.00519%0.191CC..EExtended strand (participates in β ladder)trans-92.1131.6173.4-60-172.9000110.1H87 H89 L91 I118 V158 R159 L160L77-H87 HydrophobicContact CB-CB 3.81Å; L77-H87 WeakPolarHBondContact O-CB 3.32Å; L77-H87 PolarHBondContact O-N 2.74Å; L77-H89 HydrophobicContact CD1-CB 3.98Å; L77-L91 HydrophobicContact CD2-CB 4.47Å; L77-L91 HydrophobicContact CD2-CD1 4.12Å; L77-L91 HydrophobicContact CG-CB 4.16Å; L77-I118 HydrophobicContact CD1-CG1 4.21Å; L77-I118 HydrophobicContact CD1-CG2 3.97Å; L77-V158 HydrophobicContact CD2-CG2 4.13Å; L77-R159 WeakPolarHBondContact CA-O 3.5Å; L77-L160 HydrophobicContact CD2-CD2 3.52Å
78V96.9Very high93.4Very high0 Ų032.8 Ų32.80%018%0.182CC..EExtended strand (participates in β ladder)trans-130.6162.1176.8-61.50000111.8H84 K85 P140 R159 C161 V180V78-H84 HydrophobicContact CB-CB 4.12Å; V78-H84 HydrophobicContact CG2-CB 4.05Å; V78-K85 CarbonylContact C-O 3.48Å; V78-K85 WeakPolarHBondContact CA-O 3.27Å; V78-K85 WeakPolarHBondContact CB-O 3.38Å; V78-P140 HydrophobicContact CG1-CG 3.97Å; V78-R159 HydrophobicContact CG2-CB 4.04Å; V78-R159 PolarHBondContact N-O 3.03Å; V78-R159 PolarHBondContact O-N 2.6Å; V78-C161 HydrophobicContact CG1-CB 3.77Å; V78-C161 HydrophobicContact CG2-CB 3.94Å; V78-V180 HydrophobicContact CG2-CG1 3.92Å
79T96.4Very high93.9Very high19 Ų1929.1 Ų29.112%0.11716%0.156CC..EExtended strand (participates in β ladder)trans-62150178.451.90000113.1N81 P83 H84 K85 F153T79-N81 VanDerWaalsContact C-N 3.31Å; T79-N81 PolarHBondContact O-N 3.39Å; T79-N81 PolarHBondContact OG1-O 3.07Å; T79-P83 PolarHBondContact OG1-O 3.36Å; T79-H84 PolarHBondContact O-ND1 3.17Å; T79-H84 WeakPolarHBondContact OG1-CA 3.18Å; T79-K85 HydrophobicContact CG2-CB 3.88Å; T79-K85 PolarHBondContact N-O 3.22Å; T79-K85 PolarHBondContact OG1-N 2.84Å; T79-F153 HydrophobicContact CG2-CD1 3.86Å; T79-F153 HydrophobicContact CG2-CE1 4.13Å
80K94.9Very high94.4Very high73 Ų7331.5 Ų31.532%0.31717%0.165SC..SBendtrans-60.6-33.2179.5172.4-180163.3-1720114.2S157 R159 P183 F185K80-S157 WeakPolarHBondContact CB-OG 3.41Å; K80-S157 WeakPolarHBondContact CD-OG 3.19Å; K80-R159 PolarHBondContact O-NE 2.7Å; K80-R159 PolarHBondContact O-NH2 3.29Å; K80-P183 HydrophobicContact CD-CB 4.43Å; K80-P183 HydrophobicContact CG-CB 4.18Å; K80-F185 HydrophobicContact CD-CE1 4.07Å; K80-F185 HydrophobicContact CD-CZ 4.25Å
81N92.6Very high94.7Very high99 Ų9928.4 Ų28.453%0.52915%0.145SC..SBendtrans-106.8149.1-176.3-63-14.8000111.2T79 P83 H84T79-N81 VanDerWaalsContact C-N 3.31Å; T79-N81 PolarHBondContact O-N 3.39Å; T79-N81 PolarHBondContact OG1-O 3.07Å; N81-P83 CarbonylContact O-C 3.51Å; N81-P83 VanDerWaalsContact O-O 3.12Å; N81-H84 PolarHBondContact O-ND1 3.48Å
82P89.3Confident94.9Very high102 Ų10229.6 Ų29.666%0.66215%0.152SC*.SBendtrans-65.7145164.9-1831.9000111.5
83P88.9Confident94.9Very high63 Ų6327.3 Ų27.341%0.40916%0.157SC..SBendcis-69.1137-6.630.8-34.4000110.7T79 N81 K85 I143T79-P83 PolarHBondContact OG1-O 3.36Å; N81-P83 CarbonylContact O-C 3.51Å; N81-P83 VanDerWaalsContact O-O 3.12Å; P83-K85 VanDerWaalsContact C-N 3.27Å; P83-K85 PolarHBondContact O-N 2.99Å; P83-I143 HydrophobicContact CB-CD1 3.94Å; P83-I143 HydrophobicContact CB-CG1 4.41Å
84H93.8Very high94.7Very high33 Ų3333.2 Ų33.215%0.15318%0.183CC..  trans-76.576-173.5-71.3-57000111.7V78 T79 N81 F141 I143V78-H84 HydrophobicContact CB-CB 4.12Å; V78-H84 HydrophobicContact CG2-CB 4.05Å; T79-H84 PolarHBondContact O-ND1 3.17Å; T79-H84 WeakPolarHBondContact OG1-CA 3.18Å; N81-H84 PolarHBondContact O-ND1 3.48Å; H84-F141 HydrophobicContact CB-CD2 3.66Å; H84-F141 HydrophobicContact CB-CE2 3.55Å; H84-F141 HydrophobicContact CB-CZ 4.37Å; H84-F141 WeakPolarHBondContact O-CD2 3.2Å; H84-I143 VanDerWaalsContact C-CD1 3.43Å; H84-I143 WeakPolarHBondContact O-CD1 3.29Å
85K94.6Very high94.6Very high3 Ų334.2 Ų34.21%0.01319%0.191CC..PPolyproline II helixtrans-60.2150.8178.1-63.5162-175.8-168.80110.7V78 T79 P83 H87 I143 K147 E151 F153V78-K85 CarbonylContact C-O 3.48Å; V78-K85 WeakPolarHBondContact CA-O 3.27Å; V78-K85 WeakPolarHBondContact CB-O 3.38Å; T79-K85 HydrophobicContact CG2-CB 3.88Å; T79-K85 PolarHBondContact N-O 3.22Å; T79-K85 PolarHBondContact OG1-N 2.84Å; P83-K85 VanDerWaalsContact C-N 3.27Å; P83-K85 PolarHBondContact O-N 2.99Å; K85-H87 PolarHBondContact O-N 3.05Å; K85-I143 HydrophobicContact CG-CD1 4.18Å; K85-K147 WeakPolarHBondContact CE-O 3.38Å; K85-K147 PolarHBondContact NZ-O 2.88Å; K85-E151 WeakPolarHBondContact CE-OE2 3.25Å; K85-E151 IonicContact NZ-OE2 3.01Å; K85-E151 PolarHBondContact NZ-OE2 2.79Å; K85-F153 HydrophobicContact CB-CE1 4.25Å
86P95.3Very high94.4Very high0 Ų035.6 Ų35.60%020%0.2CC..BIsolated β-bridgetrans-52.9137167.7-22.633.3000110.5I130 R133 L134 N138 N139 F153P86-I130 HydrophobicContact CB-CD1 4.5Å; P86-I130 VanDerWaalsContact O-CD1 3.22Å; P86-I130 WeakPolarHBondContact O-CD1 3.37Å; P86-R133 HydrophobicContact CB-CB 4.02Å; P86-R133 HydrophobicContact CB-CG 4.29Å; P86-L134 HydrophobicContact CG-CD2 4.44Å; P86-N138 WeakPolarHBondContact CG-O 3.43Å; P86-N139 HydrophobicContact CG-CB 4.2Å; P86-F153 WeakPolarHBondContact O-CE1 3.24Å
87H96.8Very high94Very high0 Ų041.4 Ų41.40%023%0.226CC..PPolyproline II helixtrans-89.5143.7178.4-160.8-95.2000111.6L77 K85 H89 R133 D154 V158L77-H87 HydrophobicContact CB-CB 3.81Å; L77-H87 WeakPolarHBondContact O-CB 3.32Å; L77-H87 PolarHBondContact O-N 2.74Å; K85-H87 PolarHBondContact O-N 3.05Å; H87-H89 VanDerWaalsContact C-N 3.31Å; H87-H89 AromaticContact CE1-CD2 3.42Å; H87-H89 PolarHBondContact CE1-CD2 3.38Å; H87-H89 VanDerWaalsContact CE1-CD2 3.42Å; H87-H89 AromaticContact CE1-CG 3.51Å; H87-H89 AromaticContact CE1-ND1 3.95Å; H87-H89 WeakPolarHBondContact ND1-CB 3.07Å; H87-H89 AromaticContact ND1-CD2 3.75Å; H87-H89 AromaticContact ND1-CG 3.5Å; H87-H89 PolarHBondContact ND1-N 2.81Å; H87-H89 VanDerWaalsContact ND1-N 3.18Å; H87-H89 PolarHBondContact O-N 3.03Å; H87-R133 PolarHBondContact O-NE 3.01Å; H87-D154 PolarHBondContact NE2-O 3.03Å; H87-V158 WeakPolarHBondContact ND1-CG1 3.43Å
88P96Very high93.6Very high0 Ų046.8 Ų46.80%025%0.251CS..SBendtrans-62-34.4177.5-2332.1000113.8V121 V126 A129 I130 F153 L155P88-V121 HydrophobicContact CB-CG2 3.57Å; P88-V121 WeakPolarHBondContact O-CG1 3.35Å; P88-V126 HydrophobicContact CB-CB 4.44Å; P88-V126 HydrophobicContact CB-CG1 4.13Å; P88-V126 HydrophobicContact CB-CG2 4.15Å; P88-V126 HydrophobicContact CG-CG1 3.75Å; P88-V126 HydrophobicContact CG-CG2 4.37Å; P88-A129 HydrophobicContact CB-CB 4.34Å; P88-A129 WeakPolarHBondContact O-CB 3.45Å; P88-I130 HydrophobicContact CB-CD1 4.34Å; P88-I130 HydrophobicContact CB-CG1 4.31Å; P88-I130 HydrophobicContact CG-CD1 3.8Å; P88-I130 HydrophobicContact CG-CG1 3.86Å; P88-F153 HydrophobicContact CG-CB 3.86Å; P88-F153 HydrophobicContact CG-CD1 3.89Å; P88-F153 HydrophobicContact CG-CD2 4.01Å; P88-F153 HydrophobicContact CG-CE1 4.44Å; P88-F153 HydrophobicContact CG-CG 3.64Å; P88-L155 HydrophobicContact CB-CD2 4.4Å; P88-L155 HydrophobicContact CG-CD2 4.19Å
89H96.8Very high93.3Very high5 Ų547 Ų472%0.02325%0.252CS..SBendtrans-64.6156176.5-62.7-11.7000112.4F35 L77 H87 I118 Q119 C120 V121 R133 L155F35-H89 AromaticContact CD2-CD2 3.56Å; F35-H89 AromaticContact CD2-NE2 3.43Å; F35-H89 WeakPolarHBondContact CD2-NE2 3.27Å; F35-H89 AromaticContact CE2-CD2 3.87Å; F35-H89 AromaticContact CE2-NE2 3.79Å; L77-H89 HydrophobicContact CD1-CB 3.98Å; H87-H89 VanDerWaalsContact C-N 3.31Å; H87-H89 AromaticContact CE1-CD2 3.42Å; H87-H89 PolarHBondContact CE1-CD2 3.38Å; H87-H89 VanDerWaalsContact CE1-CD2 3.42Å; H87-H89 AromaticContact CE1-CG 3.51Å; H87-H89 AromaticContact CE1-ND1 3.95Å; H87-H89 WeakPolarHBondContact ND1-CB 3.07Å; H87-H89 AromaticContact ND1-CD2 3.75Å; H87-H89 AromaticContact ND1-CG 3.5Å; H87-H89 PolarHBondContact ND1-N 2.81Å; H87-H89 VanDerWaalsContact ND1-N 3.18Å; H87-H89 PolarHBondContact O-N 3.03Å; H89-I118 HydrophobicContact CB-CG2 4.09Å; H89-Q119 WeakPolarHBondContact CA-O 3.34Å; H89-Q119 WeakPolarHBondContact CB-O 3.42Å; H89-C120 WeakPolarHBondContact ND1-CA 2.97Å; H89-V121 PolarHBondContact CE1-O 2.86Å; H89-V121 PolarHBondContact ND1-N 2.87Å; H89-V121 VanDerWaalsContact ND1-N 3.19Å; H89-R133 PolarHBondContact O-NH2 3.25Å; H89-L155 WeakPolarHBondContact CE1-CB 3.4Å; H89-L155 WeakPolarHBondContact CE1-CD2 3.19Å; H89-L155 VanDerWaalsContact NE2-CA 3.25Å; H89-L155 WeakPolarHBondContact NE2-CA 3.49Å; H89-L155 WeakPolarHBondContact NE2-CB 3.47Å; H89-L155 PolarHBondContact NE2-O 3.46Å
90E95.6Very high93.2Very high59 Ų5947.3 Ų47.328%0.27625%0.252SS..EExtended strand (participates in β ladder)trans-108.3136.4-176.6-69.9-170.4-12600112.6V92 G99 Q119E90-V92 HydrophobicContact CB-CG1 4.13Å; E90-G99 PolarHBondContact OE2-N 2.78Å; E90-Q119 HydrophobicContact CB-CB 4.31Å; E90-Q119 PolarHBondContact N-O 2.76Å; E90-Q119 PolarHBondContact O-N 3.17Å
91L96Very high93.2Very high0 Ų044.8 Ų44.80%024%0.24CC..EExtended strand (participates in β ladder)trans-81.5116.5165.7-167.268.6000108.2I47 I75 L77 G99 L116 L160I47-L91 HydrophobicContact CD1-CD1 3.95Å; I75-L91 HydrophobicContact CB-CD2 4.06Å; I75-L91 HydrophobicContact CG2-CD2 4.1Å; I75-L91 WeakPolarHBondContact O-CD2 3.38Å; L77-L91 HydrophobicContact CD2-CB 4.47Å; L77-L91 HydrophobicContact CD2-CD1 4.12Å; L77-L91 HydrophobicContact CG-CB 4.16Å; L91-G99 WeakPolarHBondContact CB-O 3.37Å; L91-G99 PolarHBondContact N-O 2.79Å; L91-G99 CarbonylContact O-C 3.54Å; L91-G99 WeakPolarHBondContact O-CA 3.4Å; L91-L116 HydrophobicContact CD1-CB 4.18Å; L91-L116 HydrophobicContact CD2-CD1 4.24Å; L91-L116 HydrophobicContact CD2-CD2 4.29Å; L91-L116 HydrophobicContact CG-CD2 4.38Å; L91-L160 HydrophobicContact CD1-CD2 4.31Å
92V95.1Very high93.3Very high32 Ų3241.8 Ų41.819%0.19422%0.223CC..EExtended strand (participates in β ladder)trans-123.4148.2-177.1-61.20000110.2A44 E90 G117 Q119A44-V92 HydrophobicContact CB-CG2 3.52Å; E90-V92 HydrophobicContact CB-CG1 4.13Å; V92-G117 PolarHBondContact N-O 2.85Å; V92-G117 PolarHBondContact O-N 2.74Å; V92-G117 VanDerWaalsContact O-O 3.14Å; V92-Q119 HydrophobicContact CG1-CB 3.77Å; V92-Q119 HydrophobicContact CG2-CB 3.86Å
93G92.9Very high93.5Very high43 Ų4337.7 Ų37.744%0.44320%0.198SC..EExtended strand (participates in β ladder)trans155.5-166.4-172.400000113.2N115G93-N115 WeakPolarHBondContact CA-O 3.32Å
94K91.4Very high93.7Very high124 Ų12440.5 Ų40.554%0.53921%0.209SC..THydrogen-bonded Turntrans-63.4139.9168.4-162.7-166.9171.4-66.20109.1C96 Y101 N115K94-C96 PolarHBondContact O-N 2.8Å; K94-C96 VanDerWaalsContact O-N 3.07Å; K94-C96 PolarHBondContact O-SG 2.81Å; K94-C96 VanDerWaalsContact O-SG 3.36Å; K94-Y101 WeakPolarHBondContact O-CD2 3.25Å; K94-N115 HydrophobicContact CB-CB 4.31Å; K94-N115 PolarHBondContact N-O 3.08Å
95D91.9Very high93.5Very high63 Ų6340 Ų4034%0.33721%0.208SC..THydrogen-bonded Turntrans55.723178.7-36.4-48.8000114.7Y101 E102D95-Y101 HydrophobicContact CB-CD2 4.05Å; D95-Y101 HydrophobicContact CB-CE2 3.67Å; D95-E102 PolarHBondContact O-N 2.84Å; D95-E102 VanDerWaalsContact O-N 3.11Å
96C93Very high93.1Very high28 Ų2845.8 Ų45.819%0.18924%0.235CC..EExtended strand (participates in β ladder)trans-96.4138.9174.9-61.30000111.9K94 Y100 L116K94-C96 PolarHBondContact O-N 2.8Å; K94-C96 VanDerWaalsContact O-N 3.07Å; K94-C96 PolarHBondContact O-SG 2.81Å; K94-C96 VanDerWaalsContact O-SG 3.36Å; C96-Y100 CarbonylContact C-O 3.4Å; C96-Y100 VanDerWaalsContact CA-O 3.24Å; C96-Y100 WeakPolarHBondContact CA-O 3.47Å; C96-L116 VanDerWaalsContact SG-CD2 3.55Å
97K89.3Confident92.5Very high122 Ų12251.9 Ų51.953%0.5326%0.264SS..EExtended strand (participates in β ladder)trans-141.1136.9179.5-59.6175.5-174.6169.50108.9G99 Y100K97-G99 PolarHBondContact O-N 2.73Å; K97-Y100 PolarHBondContact N-O 3.03Å; K97-Y100 WeakPolarHBondContact O-CD1 3.37Å; K97-Y100 WeakPolarHBondContact O-CE1 3.49Å; K97-Y100 PolarHBondContact O-N 2.93Å
98H87.1Confident92.1Very high115 Ų11559.4 Ų59.453%0.53229%0.292SS..THydrogen-bonded Turntrans44.841.4178-48.6-80.1000114.1Y100 R133 T136H98-Y100 HydrophobicContact CB-CD1 4.35Å; H98-Y100 HydrophobicContact CB-CE1 3.95Å; H98-Y100 PolarHBondContact O-N 3.43Å; H98-R133 PolarHBondContact O-NH1 2.84Å; H98-T136 HydrophobicContact CB-CG2 4.05Å
99G91.1Very high91.6Very high3 Ų367.1 Ų67.13%0.03132%0.321CS..THydrogen-bonded Turntrans69.719.4-179.300000116.8E90 L91 K97 R133E90-G99 PolarHBondContact OE2-N 2.78Å; L91-G99 WeakPolarHBondContact CB-O 3.37Å; L91-G99 PolarHBondContact N-O 2.79Å; L91-G99 CarbonylContact O-C 3.54Å; L91-G99 WeakPolarHBondContact O-CA 3.4Å; K97-G99 PolarHBondContact O-N 2.73Å; G99-R133 PolarHBondContact O-NH1 3.43Å; G99-R133 PolarHBondContact O-NH2 3Å
100Y94.6Very high91.5Very high27 Ų2771.3 Ų71.311%0.10634%0.342CS..EExtended strand (participates in β ladder)trans-130.5150.6168.662.8-96.8000110.8R74 I75 C96 K97 H98 E102 N138R74-Y100 HydrophobicContact CG-CD2 3.95Å; R74-Y100 VanDerWaalsContact NH1-CE2 3.26Å; R74-Y100 VanDerWaalsContact NH1-CZ 3.34Å; R74-Y100 VanDerWaalsContact NH2-CE1 3.33Å; I75-Y100 CarbonylContact O-C 3.5Å; I75-Y100 WeakPolarHBondContact O-CA 3.32Å; I75-Y100 WeakPolarHBondContact O-CB 3Å; C96-Y100 CarbonylContact C-O 3.4Å; C96-Y100 VanDerWaalsContact CA-O 3.24Å; C96-Y100 WeakPolarHBondContact CA-O 3.47Å; K97-Y100 PolarHBondContact N-O 3.03Å; K97-Y100 WeakPolarHBondContact O-CD1 3.37Å; K97-Y100 WeakPolarHBondContact O-CE1 3.49Å; K97-Y100 PolarHBondContact O-N 2.93Å; H98-Y100 HydrophobicContact CB-CD1 4.35Å; H98-Y100 HydrophobicContact CB-CE1 3.95Å; H98-Y100 PolarHBondContact O-N 3.43Å; Y100-E102 HydrophobicContact CD2-CB 4Å; Y100-E102 HydrophobicContact CE2-CB 3.89Å; Y100-N138 HydrophobicContact CD1-CB 4.34Å
101Y95.9Very high91.4Very high20 Ų2069.4 Ų69.48%0.07833%0.334CS..EExtended strand (participates in β ladder)trans-85.8140.3169.3173.2-91.8000109R74 I75 K94 D95 A103 F113 L116R74-Y101 CarbonylContact C-O 3.57Å; R74-Y101 VanDerWaalsContact CA-O 3.23Å; R74-Y101 WeakPolarHBondContact CA-O 3.12Å; I75-Y101 HydrophobicContact CB-CD1 4.48Å; I75-Y101 HydrophobicContact CD1-CD1 3.73Å; I75-Y101 HydrophobicContact CD1-CE1 4.28Å; I75-Y101 HydrophobicContact CD1-CG 4.28Å; I75-Y101 HydrophobicContact CG1-CD1 3.91Å; I75-Y101 PolarHBondContact N-O 2.78Å; I75-Y101 PolarHBondContact O-N 3.08Å; K94-Y101 WeakPolarHBondContact O-CD2 3.25Å; D95-Y101 HydrophobicContact CB-CD2 4.05Å; D95-Y101 HydrophobicContact CB-CE2 3.67Å; Y101-A103 HydrophobicContact CE1-CB 3.85Å; Y101-A103 WeakPolarHBondContact OH-CB 3.44Å; Y101-F113 HydrophobicContact CD1-CD1 4.33Å; Y101-F113 HydrophobicContact CD1-CE1 4.48Å; Y101-F113 AromaticContact CE1-CD1 3.69Å; Y101-F113 HydrophobicContact CE1-CD1 3.69Å; Y101-F113 AromaticContact CE1-CE1 3.72Å; Y101-F113 HydrophobicContact CE1-CE1 3.72Å; Y101-F113 AromaticContact CZ-CD1 3.88Å; Y101-L116 HydrophobicContact CD2-CD2 3.6Å; Y101-L116 HydrophobicContact CE2-CD2 4.35Å; Y101-L116 HydrophobicContact CG-CD2 4.05Å
102E94.3Very high91.4Very high35 Ų3572.4 Ų72.416%0.16436%0.355CS..EExtended strand (participates in β ladder)trans-150.9123.1171.6-164.1175.4-88.500111.8R72 V73 R74 D95 Y100R72-E102 IonicContact CZ-OE2 3.48Å; R72-E102 IonicContact NE-OE2 3.45Å; R72-E102 PolarHBondContact NE-OE2 2.85Å; R72-E102 IonicContact NH2-OE2 2.7Å; R72-E102 PolarHBondContact NH2-OE2 3.11Å; V73-E102 WeakPolarHBondContact O-CA 3.35Å; R74-E102 HydrophobicContact CB-CG 4.18Å; R74-E102 WeakPolarHBondContact CD-OE1 3.33Å; R74-E102 HydrophobicContact CG-CB 4.47Å; R74-E102 HydrophobicContact CG-CG 4.36Å; R74-E102 IonicContact CZ-OE1 3.98Å; R74-E102 IonicContact NE-OE1 3.76Å; R74-E102 IonicContact NH1-OE1 3.68Å; R74-E102 PolarHBondContact NH1-OE1 3.03Å; D95-E102 PolarHBondContact O-N 2.84Å; D95-E102 VanDerWaalsContact O-N 3.11Å; Y100-E102 HydrophobicContact CD2-CB 4Å; Y100-E102 HydrophobicContact CE2-CB 3.89Å
103A94Very high91.4Very high17 Ų1771.2 Ų71.214%0.1435%0.347CS..EExtended strand (participates in β ladder)trans-150.5148.8-179.900000112.6V73 Y101 L105V73-A103 PolarHBondContact N-O 2.85Å; V73-A103 PolarHBondContact O-N 3.27Å; Y101-A103 HydrophobicContact CE1-CB 3.85Å; Y101-A103 WeakPolarHBondContact OH-CB 3.44Å; A103-L105 HydrophobicContact CB-CD2 3.95Å
104D92.5Very high91.4Very high121 Ų12173.7 Ų73.765%0.64735%0.347SS*.EExtended strand (participates in β ladder)trans-81123.4164-58.4-57.6000108.9R72R72-D104 VanDerWaalsContact CB-OD1 3.27Å; R72-D104 WeakPolarHBondContact CB-OD1 3.37Å; R72-D104 VanDerWaalsContact CD-OD1 3.26Å; R72-D104 WeakPolarHBondContact CD-OD1 3.46Å; R72-D104 VanDerWaalsContact CG-OD1 3.26Å; R72-D104 WeakPolarHBondContact CG-OD1 3.5Å
105L89.2Confident91.4Very high24 Ų2471.9 Ų71.913%0.12634%0.343CS..EExtended strand (participates in β ladder)trans-100.9146.5-173.6-53.3-170000110.9L71 V73 A103 H111 F113L71-L105 HydrophobicContact CD2-CB 4.45Å; L71-L105 HydrophobicContact CD2-CD1 4.25Å; L71-L105 PolarHBondContact O-N 3.2Å; V73-L105 HydrophobicContact CB-CD1 3.85Å; V73-L105 HydrophobicContact CB-CG 4.3Å; V73-L105 HydrophobicContact CG2-CD1 3.48Å; V73-L105 VanDerWaalsContact CG2-CD1 3.48Å; V73-L105 HydrophobicContact CG2-CG 4.1Å; A103-L105 HydrophobicContact CB-CD2 3.95Å; L105-H111 HydrophobicContact CD1-CB 3.85Å; L105-H111 VanDerWaalsContact CD1-CG 3.5Å; L105-F113 HydrophobicContact CD1-CE1 3.97Å; L105-F113 HydrophobicContact CD1-CZ 4.01Å
106Q85.5Confident91.6Very high124 Ų12469 Ų6958%0.57933%0.328SS*.PPolyproline II helixtrans-60.9160.1176.8-64.8-174.2-1200111.9R108 H111Q106-R108 HydrophobicContact CB-CG 4.3Å; Q106-R108 PolarHBondContact O-N 3.05Å; Q106-R108 VanDerWaalsContact OE1-CZ 3.25Å; Q106-H111 PolarHBondContact O-CE1 2.84Å
107E84.4Confident91.7Very high128 Ų12867.7 Ų67.760%0.59832%0.319SS*.SBendtrans-71.165.1178.3-53-169.6153.600112.8P70P70-E107 WeakPolarHBondContact CD-OE1 3.23Å
108R86.9Confident92.1Very high157 Ų15761.9 Ų61.959%0.59229%0.293SS*.  trans-121.3158.8174.7-53.7-174-168.3-156.31.3108.2Q106 H111Q106-R108 HydrophobicContact CB-CG 4.3Å; Q106-R108 PolarHBondContact O-N 3.05Å; Q106-R108 VanDerWaalsContact OE1-CZ 3.25Å; R108-H111 PolarHBondContact O-NE2 2.96Å; R108-H111 VanDerWaalsContact O-NE2 3.13Å
109R87Confident92.5Very high163 Ų16358.7 Ų58.762%0.61528%0.279SS*.SBendtrans-85.6-9.8175.2-63.3-173-169.7168.54.1113.9K63 I64K63-R109 CarbonylContact C-O 3.5Å; K63-R109 WeakPolarHBondContact CA-O 3.2Å; K63-R109 WeakPolarHBondContact CG-O 3.48Å; I64-R109 PolarHBondContact N-O 3.01Å
110I93.1Very high92.7Very high92 Ų9258.7 Ų58.747%0.47228%0.278SS..EExtended strand (participates in β ladder)trans-136.6133.3-172.5-65.2176.5000109.8I25 I62 K63I25-I110 HydrophobicContact CD1-CB 4.49Å; I25-I110 HydrophobicContact CD1-CD1 4.01Å; I25-I110 HydrophobicContact CD1-CG1 4.09Å; I25-I110 HydrophobicContact CD1-CG2 3.65Å; I62-I110 WeakPolarHBondContact O-CA 3.45Å; K63-I110 HydrophobicContact CB-CG1 4.25Å; K63-I110 HydrophobicContact CG-CG1 4.2Å
111H94.4Very high92.7Very high20 Ų2058.2 Ų58.29%0.09328%0.278CS..EExtended strand (participates in β ladder)trans-135.9127.8179.5-56.9-72.4000111.1A61 I62 L105 Q106 R108 F113A61-H111 CarbonylContact C-O 3.54Å; A61-H111 WeakPolarHBondContact CA-O 3.42Å; A61-H111 WeakPolarHBondContact CB-O 3.39Å; I62-H111 HydrophobicContact CG1-CB 4.46Å; I62-H111 PolarHBondContact N-O 2.92Å; I62-H111 PolarHBondContact O-N 3.23Å; L105-H111 HydrophobicContact CD1-CB 3.85Å; L105-H111 VanDerWaalsContact CD1-CG 3.5Å; Q106-H111 PolarHBondContact O-CE1 2.84Å; R108-H111 PolarHBondContact O-NE2 2.96Å; R108-H111 VanDerWaalsContact O-NE2 3.13Å; H111-F113 HydrophobicContact CB-CE1 4.45Å; H111-F113 HydrophobicContact CB-CE2 4.4Å; H111-F113 HydrophobicContact CB-CZ 3.96Å
112S95.1Very high92.7Very high63 Ų6361.9 Ų61.944%0.44130%0.295SS..EExtended strand (participates in β ladder)trans-106.4128175.562.10000110.8Q114S112-Q114 PolarHBondContact O-N 2.91Å
113F95.3Very high92.7Very high6 Ų666.9 Ų66.93%0.02632%0.316CS..  trans-98.492.5-175.3-55.6-78.4000111.1P60 I62 V73 I75 Y101 L105 H111 L116 F162P60-F113 PolarHBondContact O-N 3.23Å; I62-F113 HydrophobicContact CB-CE2 4.4Å; I62-F113 HydrophobicContact CD1-CE2 3.91Å; I62-F113 HydrophobicContact CD1-CZ 3.81Å; I62-F113 HydrophobicContact CG1-CE2 3.77Å; I62-F113 HydrophobicContact CG1-CZ 4Å; I62-F113 HydrophobicContact CG2-CE2 4.12Å; V73-F113 HydrophobicContact CG1-CE1 4.36Å; V73-F113 HydrophobicContact CG1-CZ 4.06Å; I75-F113 HydrophobicContact CD1-CB 4.2Å; I75-F113 HydrophobicContact CD1-CD1 3.57Å; I75-F113 HydrophobicContact CD1-CD2 3.79Å; I75-F113 HydrophobicContact CD1-CE1 3.83Å; I75-F113 HydrophobicContact CD1-CE2 4.02Å; I75-F113 HydrophobicContact CD1-CG 3.55Å; I75-F113 HydrophobicContact CD1-CZ 4.05Å; Y101-F113 HydrophobicContact CD1-CD1 4.33Å; Y101-F113 HydrophobicContact CD1-CE1 4.48Å; Y101-F113 AromaticContact CE1-CD1 3.69Å; Y101-F113 HydrophobicContact CE1-CD1 3.69Å; Y101-F113 AromaticContact CE1-CE1 3.72Å; Y101-F113 HydrophobicContact CE1-CE1 3.72Å; Y101-F113 AromaticContact CZ-CD1 3.88Å; L105-F113 HydrophobicContact CD1-CE1 3.97Å; L105-F113 HydrophobicContact CD1-CZ 4.01Å; H111-F113 HydrophobicContact CB-CE1 4.45Å; H111-F113 HydrophobicContact CB-CE2 4.4Å; H111-F113 HydrophobicContact CB-CZ 3.96Å; F113-L116 HydrophobicContact CB-CD1 3.56Å; F113-L116 HydrophobicContact CB-CG 4.2Å; F113-L116 HydrophobicContact CG-CD1 4.49Å; F113-F162 AromaticContact CD2-CE1 3.72Å; F113-F162 HydrophobicContact CD2-CE1 3.72Å; F113-F162 HydrophobicContact CE2-CD1 4.11Å; F113-F162 AromaticContact CE2-CE1 3.68Å; F113-F162 HydrophobicContact CE2-CE1 3.68Å
114Q93.5Very high92.7Very high96 Ų9674.2 Ų74.245%0.44934%0.344SS..  trans-87.2161.2179.1-50.3-1765.800110.9Y59 S112 L116Y59-Q114 HydrophobicContact CD1-CB 4.3Å; Y59-Q114 HydrophobicContact CD1-CG 4.28Å; Y59-Q114 HydrophobicContact CD2-CG 3.73Å; Y59-Q114 HydrophobicContact CE1-CB 4.43Å; Y59-Q114 HydrophobicContact CE2-CG 4.09Å; Y59-Q114 HydrophobicContact CG-CB 4.36Å; Y59-Q114 HydrophobicContact CG-CG 3.84Å; S112-Q114 PolarHBondContact O-N 2.91Å; Q114-L116 PolarHBondContact O-N 2.66Å
115N92.3Very high92.8Very high86 Ų8669.1 Ų69.146%0.4632%0.317SS..SBendtrans61.320.1174.8-52.1-66.5000115.5S46 G93 K94S46-N115 WeakPolarHBondContact OG-CA 3.41Å; S46-N115 PolarHBondContact OG-N 3.48Å; G93-N115 WeakPolarHBondContact CA-O 3.32Å; K94-N115 HydrophobicContact CB-CB 4.31Å; K94-N115 PolarHBondContact N-O 3.08Å
116L95.1Very high93.1Very high2 Ų268.7 Ų68.71%0.0132%0.315CS..EExtended strand (participates in β ladder)trans-88.7126168.6-62.7-174000110.4S46 I47 I75 L91 C96 Y101 F113 Q114S46-L116 CarbonylContact C-O 3.54Å; S46-L116 VanDerWaalsContact CA-O 3.25Å; S46-L116 WeakPolarHBondContact CA-O 3.48Å; I47-L116 HydrophobicContact CD1-CB 4.02Å; I47-L116 WeakPolarHBondContact CG1-O 3.37Å; I47-L116 PolarHBondContact N-O 3.35Å; I75-L116 HydrophobicContact CD1-CD1 4.13Å; L91-L116 HydrophobicContact CD1-CB 4.18Å; L91-L116 HydrophobicContact CD2-CD1 4.24Å; L91-L116 HydrophobicContact CD2-CD2 4.29Å; L91-L116 HydrophobicContact CG-CD2 4.38Å; C96-L116 VanDerWaalsContact SG-CD2 3.55Å; Y101-L116 HydrophobicContact CD2-CD2 3.6Å; Y101-L116 HydrophobicContact CE2-CD2 4.35Å; Y101-L116 HydrophobicContact CG-CD2 4.05Å; F113-L116 HydrophobicContact CB-CD1 3.56Å; F113-L116 HydrophobicContact CB-CG 4.2Å; F113-L116 HydrophobicContact CG-CD1 4.49Å; Q114-L116 PolarHBondContact O-N 2.66Å
117G95.8Very high93.5Very high0 Ų067.5 Ų67.50%031%0.313CS..EExtended strand (participates in β ladder)trans-128.9167172.900000112V92V92-G117 PolarHBondContact N-O 2.85Å; V92-G117 PolarHBondContact O-N 2.74Å; V92-G117 VanDerWaalsContact O-O 3.14Å
118I96.9Very high94Very high0 Ų068.1 Ų68.10%032%0.316CS..EExtended strand (participates in β ladder)trans-109.2118.2-177.8-62.7172.6000109.5M33 F35 R36 I47 L77 H89 V158 I184M33-I118 HydrophobicContact CE-CB 4.44Å; M33-I118 HydrophobicContact CE-CD1 3.83Å; M33-I118 HydrophobicContact CE-CG1 4.19Å; F35-I118 HydrophobicContact CB-CG2 4.07Å; F35-I118 HydrophobicContact CD1-CB 3.72Å; F35-I118 HydrophobicContact CD1-CD1 3.95Å; F35-I118 HydrophobicContact CD1-CG1 4.41Å; F35-I118 HydrophobicContact CD1-CG2 3.67Å; F35-I118 HydrophobicContact CD2-CG2 4.04Å; F35-I118 HydrophobicContact CE1-CB 4.22Å; F35-I118 HydrophobicContact CE1-CD1 3.52Å; F35-I118 HydrophobicContact CE1-CG1 4.45Å; F35-I118 HydrophobicContact CE1-CG2 4.13Å; F35-I118 HydrophobicContact CE2-CG2 4.44Å; F35-I118 HydrophobicContact CG-CB 4.15Å; F35-I118 HydrophobicContact CG-CG2 3.64Å; F35-I118 HydrophobicContact CZ-CD1 4.12Å; F35-I118 HydrophobicContact CZ-CG2 4.49Å; R36-I118 PolarHBondContact N-O 3.01Å; I47-I118 HydrophobicContact CD1-CD1 4.32Å; I47-I118 HydrophobicContact CD1-CG1 4.15Å; I47-I118 HydrophobicContact CG1-CD1 4.47Å; I47-I118 HydrophobicContact CG1-CG1 4.41Å; L77-I118 HydrophobicContact CD1-CG1 4.21Å; L77-I118 HydrophobicContact CD1-CG2 3.97Å; H89-I118 HydrophobicContact CB-CG2 4.09Å; I118-V158 HydrophobicContact CD1-CG2 3.62Å; I118-I184 HydrophobicContact CD1-CD1 4.12Å; I118-I184 HydrophobicContact CD1-CG2 4.32Å
119Q95.8Very high94.3Very high48 Ų4861.3 Ų61.322%0.22429%0.293CS..EExtended strand (participates in β ladder)trans-94.4117.3172.3-179.6158.3108.400109.7R36 K38 H89 E90 V92R36-Q119 CarbonylContact O-C 3.57Å; R36-Q119 WeakPolarHBondContact O-CA 3.49Å; K38-Q119 HydrophobicContact CB-CG 4.4Å; H89-Q119 WeakPolarHBondContact CA-O 3.34Å; H89-Q119 WeakPolarHBondContact CB-O 3.42Å; E90-Q119 HydrophobicContact CB-CB 4.31Å; E90-Q119 PolarHBondContact N-O 2.76Å; E90-Q119 PolarHBondContact O-N 3.17Å; V92-Q119 HydrophobicContact CG1-CB 3.77Å; V92-Q119 HydrophobicContact CG2-CB 3.86Å
120C95.4Very high94.7Very high4 Ų453.5 Ų53.53%0.02726%0.264CS..EExtended strand (participates in β ladder)trans-87138.9179.753.90000112.3F35 R36 Y37 H89F35-C120 HydrophobicContact CB-CB 3.85Å; R36-C120 PolarHBondContact O-N 2.93Å; R36-C120 PolarHBondContact O-SG 2.79Å; Y37-C120 WeakPolarHBondContact CD1-O 3.26Å; H89-C120 WeakPolarHBondContact ND1-CA 2.97Å
121V95.3Very high94.6Very high16 Ų1651.7 Ų51.710%0.09726%0.257CS..PPolyproline II helixtrans-90.9153.1172.7-59.50000110.5P88 H89 D125 V126 A129P88-V121 HydrophobicContact CB-CG2 3.57Å; P88-V121 WeakPolarHBondContact O-CG1 3.35Å; H89-V121 PolarHBondContact CE1-O 2.86Å; H89-V121 PolarHBondContact ND1-N 2.87Å; H89-V121 VanDerWaalsContact ND1-N 3.19Å; V121-D125 HydrophobicContact CB-CB 4.42Å; V121-V126 HydrophobicContact CG2-CG2 3.98Å; V121-A129 HydrophobicContact CG1-CB 4.12Å; V121-A129 HydrophobicContact CG2-CB 4.44Å
122K94.7Very high94.5Very high98 Ų9853.2 Ų53.243%0.42627%0.269SS..PPolyproline II helixtrans-76151.2174.6-60.2177.9177.4-178.40109.1Y37 K124 D125 V126Y37-K122 HydrophobicContact CD1-CG 4.1Å; Y37-K122 HydrophobicContact CE1-CG 3.84Å; K122-K124 HydrophobicContact CB-CG 4.35Å; K122-K124 PolarHBondContact O-N 3.31Å; K122-D125 WeakPolarHBondContact CB-OD2 3.25Å; K122-D125 WeakPolarHBondContact O-CA 3.4Å; K122-D125 PolarHBondContact O-N 3.34Å; K122-V126 PolarHBondContact O-N 3.14Å
123K94.1Very high94.3Very high140 Ų14050.4 Ų50.461%0.60925%0.249SC*.G310 helixtrans-53.1-33.5-179.5-179.8163.1173.6163.70113.8D125 V126 E152 L155K123-D125 VanDerWaalsContact C-N 3.34Å; K123-V126 WeakPolarHBondContact O-CG2 3.49Å; K123-E152 WeakPolarHBondContact CE-OE1 3.48Å; K123-E152 IonicContact NZ-OE1 3.97Å; K123-E152 PolarHBondContact NZ-OE1 2.72Å; K123-E152 IonicContact NZ-OE2 2.75Å; K123-L155 HydrophobicContact CB-CD1 4.23Å
124K94.9Very high94.1Very high170 Ų17051.8 Ų51.874%0.73926%0.256SS*.G310 helixtrans-72.9-19.6175.167.9155.4-16286.40115.2K122K122-K124 HydrophobicContact CB-CG 4.35Å; K122-K124 PolarHBondContact O-N 3.31Å
125D95.3Very high94Very high15 Ų1554.5 Ų54.58%0.0827%0.269CS..G310 helixtrans-95.9-1.9-178.1-52.5-24.4000111.4V121 K122 K123 N127 E128 A129V121-D125 HydrophobicContact CB-CB 4.42Å; K122-D125 WeakPolarHBondContact CB-OD2 3.25Å; K122-D125 WeakPolarHBondContact O-CA 3.4Å; K122-D125 PolarHBondContact O-N 3.34Å; K123-D125 VanDerWaalsContact C-N 3.34Å; D125-N127 PolarHBondContact O-N 2.72Å; D125-E128 PolarHBondContact O-N 2.99Å; D125-A129 WeakPolarHBondContact O-CB 3.31Å; D125-A129 PolarHBondContact O-N 3.47Å; D125-A129 VanDerWaalsContact O-N 3.08Å
126V95Very high93.8Very high14 Ų1452 Ų529%0.08526%0.257CS..Hα-helixtrans-61.9-42.5-173.5163.80000112.6P88 V121 K122 K123 A129 I130 F153 L155P88-V126 HydrophobicContact CB-CB 4.44Å; P88-V126 HydrophobicContact CB-CG1 4.13Å; P88-V126 HydrophobicContact CB-CG2 4.15Å; P88-V126 HydrophobicContact CG-CG1 3.75Å; P88-V126 HydrophobicContact CG-CG2 4.37Å; V121-V126 HydrophobicContact CG2-CG2 3.98Å; K122-V126 PolarHBondContact O-N 3.14Å; K123-V126 WeakPolarHBondContact O-CG2 3.49Å; V126-A129 PolarHBondContact O-N 3.39Å; V126-I130 WeakPolarHBondContact O-CG1 3.37Å; V126-I130 PolarHBondContact O-N 2.85Å; V126-F153 HydrophobicContact CG1-CD2 3.94Å; V126-F153 HydrophobicContact CG1-CE2 4.5Å; V126-L155 HydrophobicContact CG2-CD1 4.17Å; V126-L155 HydrophobicContact CG2-CD2 3.93Å
127N93.9Very high93.4Very high100 Ų10056.7 Ų56.754%0.53529%0.29SS..Hα-helixtrans-65.6-45.4-178.6-65.763.9000111.5D125 A129 I130 T131 W149D125-N127 PolarHBondContact O-N 2.72Å; N127-A129 VanDerWaalsContact C-N 3.34Å; N127-A129 PolarHBondContact O-N 2.93Å; N127-I130 PolarHBondContact O-N 3.36Å; N127-T131 PolarHBondContact O-N 3.31Å; N127-T131 PolarHBondContact O-OG1 2.83Å; N127-T131 VanDerWaalsContact O-OG1 3.09Å; N127-W149 HydrophobicContact CB-CH2 4.24Å; N127-W149 HydrophobicContact CB-CZ3 4.31Å
128E94.3Very high93Very high141 Ų14156.7 Ų56.766%0.65929%0.29SS*.Hα-helixtrans-58.4-46.6175-172.5-169.7161.200111.1D125 I130 T131 C132D125-E128 PolarHBondContact O-N 2.99Å; E128-I130 PolarHBondContact O-N 2.94Å; E128-T131 PolarHBondContact O-N 2.79Å; E128-C132 WeakPolarHBondContact O-CB 3.49Å; E128-C132 PolarHBondContact O-N 2.83Å
129A94.1Very high92.6Very high13 Ų1358.1 Ų58.111%0.10730%0.298CS..Hα-helixtrans-61.7-44.3-18000000112.9P88 V121 D125 V126 N127 C132 R133P88-A129 HydrophobicContact CB-CB 4.34Å; P88-A129 WeakPolarHBondContact O-CB 3.45Å; V121-A129 HydrophobicContact CG1-CB 4.12Å; V121-A129 HydrophobicContact CG2-CB 4.44Å; D125-A129 WeakPolarHBondContact O-CB 3.31Å; D125-A129 PolarHBondContact O-N 3.47Å; D125-A129 VanDerWaalsContact O-N 3.08Å; V126-A129 PolarHBondContact O-N 3.39Å; N127-A129 VanDerWaalsContact C-N 3.34Å; N127-A129 PolarHBondContact O-N 2.93Å; A129-C132 WeakPolarHBondContact O-CB 3.18Å; A129-C132 PolarHBondContact O-N 3.04Å; A129-R133 VanDerWaalsContact O-CG 3.25Å; A129-R133 WeakPolarHBondContact O-CG 3.41Å; A129-R133 PolarHBondContact O-N 3.39Å
130I94.3Very high92.3Very high0 Ų056.4 Ų56.40%029%0.29CS..Hα-helixtrans-66.9-43.8177.7-70.3-65.6000111.7P86 P88 V126 N127 E128 C132 R133 L134 V148 W149 F153P86-I130 HydrophobicContact CB-CD1 4.5Å; P86-I130 VanDerWaalsContact O-CD1 3.22Å; P86-I130 WeakPolarHBondContact O-CD1 3.37Å; P88-I130 HydrophobicContact CB-CD1 4.34Å; P88-I130 HydrophobicContact CB-CG1 4.31Å; P88-I130 HydrophobicContact CG-CD1 3.8Å; P88-I130 HydrophobicContact CG-CG1 3.86Å; V126-I130 WeakPolarHBondContact O-CG1 3.37Å; V126-I130 PolarHBondContact O-N 2.85Å; N127-I130 PolarHBondContact O-N 3.36Å; E128-I130 PolarHBondContact O-N 2.94Å; I130-C132 VanDerWaalsContact C-N 3.28Å; I130-C132 PolarHBondContact O-N 3.02Å; I130-R133 WeakPolarHBondContact O-CA 3.32Å; I130-R133 WeakPolarHBondContact O-CB 3.41Å; I130-R133 PolarHBondContact O-N 3.26Å; I130-L134 HydrophobicContact CG2-CD1 4.31Å; I130-L134 WeakPolarHBondContact O-CG 3.25Å; I130-L134 PolarHBondContact O-N 2.72Å; I130-V148 HydrophobicContact CG2-CG1 3.82Å; I130-W149 HydrophobicContact CB-CH2 3.6Å; I130-W149 HydrophobicContact CB-CZ2 4.19Å; I130-W149 HydrophobicContact CB-CZ3 4.02Å; I130-W149 HydrophobicContact CG2-CE3 4.44Å; I130-W149 HydrophobicContact CG2-CH2 3.45Å; I130-W149 VanDerWaalsContact CG2-CH2 3.45Å; I130-W149 HydrophobicContact CG2-CZ2 3.56Å; I130-W149 HydrophobicContact CG2-CZ3 3.91Å; I130-F153 HydrophobicContact CD1-CE1 3.83Å; I130-F153 HydrophobicContact CD1-CE2 4.25Å; I130-F153 HydrophobicContact CD1-CZ 3.66Å; I130-F153 HydrophobicContact CG1-CE1 4.41Å; I130-F153 HydrophobicContact CG1-CE2 3.91Å; I130-F153 HydrophobicContact CG1-CZ 3.81Å
131T92.2Very high92Very high53 Ų5359.9 Ų59.933%0.32531%0.305SS..Hα-helixtrans-57.9-43174.7-60.40000111.1N127 E128 R133 L134 Q135N127-T131 PolarHBondContact O-N 3.31Å; N127-T131 PolarHBondContact O-OG1 2.83Å; N127-T131 VanDerWaalsContact O-OG1 3.09Å; E128-T131 PolarHBondContact O-N 2.79Å; T131-R133 PolarHBondContact O-N 3.24Å; T131-L134 PolarHBondContact O-N 2.81Å; T131-Q135 WeakPolarHBondContact O-CG 3.22Å; T131-Q135 PolarHBondContact O-N 3.34Å
132C91.1Very high91.8Very high52 Ų5264 Ų6435%0.35133%0.334SS..Hα-helixtrans-61.9-39173.2-177.30000112.6E128 A129 I130 L134 T136E128-C132 WeakPolarHBondContact O-CB 3.49Å; E128-C132 PolarHBondContact O-N 2.83Å; A129-C132 WeakPolarHBondContact O-CB 3.18Å; A129-C132 PolarHBondContact O-N 3.04Å; I130-C132 VanDerWaalsContact C-N 3.28Å; I130-C132 PolarHBondContact O-N 3.02Å; C132-L134 PolarHBondContact O-N 3Å; C132-T136 WeakPolarHBondContact O-CB 3.4Å; C132-T136 WeakPolarHBondContact O-CG2 3.03Å; C132-T136 PolarHBondContact O-N 2.88Å; C132-T136 PolarHBondContact O-OG1 3.43Å
133R91.6Very high91.5Very high5 Ų560 Ų602%0.01932%0.318CS..Hα-helixtrans-61.8-40.9173.9-59.2-31.1-146.1121.614.6112.5P86 H87 H89 H98 G99 A129 I130 T131 T136 N138P86-R133 HydrophobicContact CB-CB 4.02Å; P86-R133 HydrophobicContact CB-CG 4.29Å; H87-R133 PolarHBondContact O-NE 3.01Å; H89-R133 PolarHBondContact O-NH2 3.25Å; H98-R133 PolarHBondContact O-NH1 2.84Å; G99-R133 PolarHBondContact O-NH1 3.43Å; G99-R133 PolarHBondContact O-NH2 3Å; A129-R133 VanDerWaalsContact O-CG 3.25Å; A129-R133 WeakPolarHBondContact O-CG 3.41Å; A129-R133 PolarHBondContact O-N 3.39Å; I130-R133 WeakPolarHBondContact O-CA 3.32Å; I130-R133 WeakPolarHBondContact O-CB 3.41Å; I130-R133 PolarHBondContact O-N 3.26Å; T131-R133 PolarHBondContact O-N 3.24Å; R133-T136 PolarHBondContact O-OG1 3.35Å; R133-N138 HydrophobicContact CB-CB 4.49Å; R133-N138 PolarHBondContact NH1-ND2 3.25Å; R133-N138 WeakPolarHBondContact O-CA 3.49Å; R133-N138 WeakPolarHBondContact O-CB 3.35Å; R133-N138 PolarHBondContact O-N 3.46Å
134L91.1Very high91.2Very high35 Ų3557.1 Ų57.118%0.18331%0.313CS..Hα-helixtrans-69.9-44.7179.7-64.9176.5000111.3P86 I130 T131 C132 T136 S137 N139 E145 V148P86-L134 HydrophobicContact CG-CD2 4.44Å; I130-L134 HydrophobicContact CG2-CD1 4.31Å; I130-L134 WeakPolarHBondContact O-CG 3.25Å; I130-L134 PolarHBondContact O-N 2.72Å; T131-L134 PolarHBondContact O-N 2.81Å; C132-L134 PolarHBondContact O-N 3Å; L134-T136 VanDerWaalsContact C-N 3.31Å; L134-T136 PolarHBondContact O-N 2.94Å; L134-S137 PolarHBondContact O-N 2.82Å; L134-S137 VanDerWaalsContact O-N 3.14Å; L134-N139 HydrophobicContact CD2-CB 4.48Å; L134-E145 HydrophobicContact CD1-CB 4.13Å; L134-E145 HydrophobicContact CD1-CG 3.74Å; L134-V148 HydrophobicContact CD2-CG2 4.49Å
135Q90.6Very high90.8Very high152 Ų15254 Ų5471%0.7130%0.301SS*.Hα-helixtrans-62.1-34.1175.6-71.6173.9-9.400113.3T131 S137T131-Q135 WeakPolarHBondContact O-CG 3.22Å; T131-Q135 PolarHBondContact O-N 3.34Å; Q135-S137 PolarHBondContact O-N 3.18Å
136T87.4Confident90.5Very high35 Ų3558.2 Ų58.222%0.21533%0.33CS..THydrogen-bonded Turntrans-85.916.6176.955.30000113.8R74 H98 C132 R133 L134 N138R74-T136 PolarHBondContact NH2-O 3.44Å; H98-T136 HydrophobicContact CB-CG2 4.05Å; C132-T136 WeakPolarHBondContact O-CB 3.4Å; C132-T136 WeakPolarHBondContact O-CG2 3.03Å; C132-T136 PolarHBondContact O-N 2.88Å; C132-T136 PolarHBondContact O-OG1 3.43Å; R133-T136 PolarHBondContact O-OG1 3.35Å; L134-T136 VanDerWaalsContact C-N 3.31Å; L134-T136 PolarHBondContact O-N 2.94Å; T136-N138 PolarHBondContact O-N 2.92Å; T136-N138 VanDerWaalsContact O-N 3.08Å
137S87.8Confident90.1Very high100 Ų10063 Ų6370%0.69935%0.349SS*.THydrogen-bonded Turntrans52.626.1-178.1-61.60000114.2L134 Q135 N139L134-S137 PolarHBondContact O-N 2.82Å; L134-S137 VanDerWaalsContact O-N 3.14Å; Q135-S137 PolarHBondContact O-N 3.18Å; S137-N139 PolarHBondContact O-N 3.38Å
138N87Confident89.7Confident0 Ų058.2 Ų58.20%032%0.324CS..  trans-87.257.8-177-162.740.5000111.9S76 P86 Y100 R133 T136S76-N138 VanDerWaalsContact CB-OD1 3.25Å; S76-N138 WeakPolarHBondContact CB-OD1 3.3Å; P86-N138 WeakPolarHBondContact CG-O 3.43Å; Y100-N138 HydrophobicContact CD1-CB 4.34Å; R133-N138 HydrophobicContact CB-CB 4.49Å; R133-N138 PolarHBondContact NH1-ND2 3.25Å; R133-N138 WeakPolarHBondContact O-CA 3.49Å; R133-N138 WeakPolarHBondContact O-CB 3.35Å; R133-N138 PolarHBondContact O-N 3.46Å; T136-N138 PolarHBondContact O-N 2.92Å; T136-N138 VanDerWaalsContact O-N 3.08Å
139N88.9Confident89.4Confident30 Ų3055.7 Ų55.716%0.1631%0.308CS..  trans-124.683.7-178.7-172-7.2000110.4P86 L134 S137 F141 S142 I143P86-N139 HydrophobicContact CG-CB 4.2Å; L134-N139 HydrophobicContact CD2-CB 4.48Å; S137-N139 PolarHBondContact O-N 3.38Å; N139-F141 PolarHBondContact O-N 3.47Å; N139-S142 PolarHBondContact O-N 2.95Å; N139-S142 PolarHBondContact OD1-N 2.96Å; N139-I143 PolarHBondContact ND2-N 3.36Å; N139-I143 PolarHBondContact ND2-O 3.01Å; N139-I143 PolarHBondContact OD1-N 2.99Å
140P89.1Confident89Confident11 Ų1161.7 Ų61.77%0.07133%0.334CS..THydrogen-bonded Turntrans-62.7-18.9-167.8-25.635.7000115.8S76 V78 C161 Q163S76-P140 WeakPolarHBondContact OG-CG 3.38Å; V78-P140 HydrophobicContact CG1-CG 3.97Å; P140-C161 HydrophobicContact CB-CB 4.35Å; P140-C161 VanDerWaalsContact CB-SG 3.56Å; P140-C161 HydrophobicContact CG-CB 4.19Å; P140-Q163 HydrophobicContact CB-CG 4.09Å
141F90.3Very high88.6Confident78 Ų7867 Ų6734%0.34236%0.359SS..THydrogen-bonded Turntrans-11611.1-178.5-64.4-79.5000112.5H84 N139 I143 P178 V180H84-F141 HydrophobicContact CB-CD2 3.66Å; H84-F141 HydrophobicContact CB-CE2 3.55Å; H84-F141 HydrophobicContact CB-CZ 4.37Å; H84-F141 WeakPolarHBondContact O-CD2 3.2Å; N139-F141 PolarHBondContact O-N 3.47Å; F141-I143 HydrophobicContact CB-CD1 3.98Å; F141-I143 HydrophobicContact CB-CG1 3.93Å; F141-I143 PolarHBondContact O-N 3.03Å; F141-I143 VanDerWaalsContact O-N 3.08Å; F141-P178 HydrophobicContact CE1-CB 4.26Å; F141-P178 HydrophobicContact CZ-CB 4.14Å; F141-V180 HydrophobicContact CE2-CG2 3.99Å; F141-V180 HydrophobicContact CZ-CG2 3.55Å
142S89.9Confident88.4Confident101 Ų10171.6 Ų71.671%0.70638%0.377SS*.  trans48.336.8-179.7-56.60000113.8N139 P144N139-S142 PolarHBondContact O-N 2.95Å; N139-S142 PolarHBondContact OD1-N 2.96Å; S142-P144 WeakPolarHBondContact O-CD 3.24Å
143I88.8Confident88.5Confident15 Ų1570 Ų708%0.07736%0.364CS..  trans-65.8125.3-176.4-66160000108.5P83 H84 K85 N139 F141 E145 K147 V148P83-I143 HydrophobicContact CB-CD1 3.94Å; P83-I143 HydrophobicContact CB-CG1 4.41Å; H84-I143 VanDerWaalsContact C-CD1 3.43Å; H84-I143 WeakPolarHBondContact O-CD1 3.29Å; K85-I143 HydrophobicContact CG-CD1 4.18Å; N139-I143 PolarHBondContact ND2-N 3.36Å; N139-I143 PolarHBondContact ND2-O 3.01Å; N139-I143 PolarHBondContact OD1-N 2.99Å; F141-I143 HydrophobicContact CB-CD1 3.98Å; F141-I143 HydrophobicContact CB-CG1 3.93Å; F141-I143 PolarHBondContact O-N 3.03Å; F141-I143 VanDerWaalsContact O-N 3.08Å; I143-E145 PolarHBondContact O-N 2.93Å; I143-K147 HydrophobicContact CG2-CB 3.95Å; I143-V148 HydrophobicContact CB-CG2 4.26Å; I143-V148 HydrophobicContact CG2-CG2 3.83Å
144P88.3Confident88.6Confident79 Ų7972.8 Ų72.851%0.51338%0.379SS..  trans-57135.4178.8-26.735000111.8S142 K147 V148S142-P144 WeakPolarHBondContact O-CD 3.24Å; P144-K147 WeakPolarHBondContact O-CB 3.43Å; P144-K147 PolarHBondContact O-N 2.85Å; P144-V148 PolarHBondContact O-N 3.39Å
145E86.9Confident88.8Confident104 Ų10472.7 Ų72.749%0.48638%0.379SS..Hα-helixtrans-48.5-45.5-174172.9170.6-162.700114.6L134 I143 K147 V148 W149L134-E145 HydrophobicContact CD1-CB 4.13Å; L134-E145 HydrophobicContact CD1-CG 3.74Å; I143-E145 PolarHBondContact O-N 2.93Å; E145-K147 PolarHBondContact O-N 3.02Å; E145-K147 VanDerWaalsContact O-N 3.1Å; E145-V148 VanDerWaalsContact O-CB 3.32Å; E145-V148 WeakPolarHBondContact O-CB 3.43Å; E145-V148 PolarHBondContact O-N 2.97Å; E145-W149 PolarHBondContact O-N 2.95Å; E145-W149 PolarHBondContact OE1-NE1 2.99Å
146P87.8Confident89.1Confident104 Ų10467.8 Ų67.868%0.67536%0.357SS*.Hα-helixtrans-56.9-30.6177.5-27.336.2000114.3
147K86.9Confident89.5Confident115 Ų11566.1 Ų66.150%0.535%0.347SS..Hα-helixtrans-79.7-22.4176.6-62.9-169.7175.2-171.30112.9K85 I143 P144 E145 W149 E150K85-K147 WeakPolarHBondContact CE-O 3.38Å; K85-K147 PolarHBondContact NZ-O 2.88Å; I143-K147 HydrophobicContact CG2-CB 3.95Å; P144-K147 WeakPolarHBondContact O-CB 3.43Å; P144-K147 PolarHBondContact O-N 2.85Å; E145-K147 PolarHBondContact O-N 3.02Å; E145-K147 VanDerWaalsContact O-N 3.1Å; K147-W149 VanDerWaalsContact C-N 3.3Å; K147-E150 WeakPolarHBondContact O-CB 3.48Å
148V86.4Confident89.9Confident0 Ų061.4 Ų61.40%031%0.314CS..Hα-helixtrans-64.7-40.5173.61790000109.8I130 L134 I143 P144 E145 E150 F153I130-V148 HydrophobicContact CG2-CG1 3.82Å; L134-V148 HydrophobicContact CD2-CG2 4.49Å; I143-V148 HydrophobicContact CB-CG2 4.26Å; I143-V148 HydrophobicContact CG2-CG2 3.83Å; P144-V148 PolarHBondContact O-N 3.39Å; E145-V148 VanDerWaalsContact O-CB 3.32Å; E145-V148 WeakPolarHBondContact O-CB 3.43Å; E145-V148 PolarHBondContact O-N 2.97Å; V148-E150 PolarHBondContact O-N 3.47Å; V148-F153 HydrophobicContact CG1-CZ 3.91Å
149W86.9Confident90.4Very high88 Ų8863.7 Ų63.733%0.33332%0.323SS..THydrogen-bonded Turntrans-82.6-2.8-178.9-57.3113.8000115.6N127 I130 E145 K147 E151N127-W149 HydrophobicContact CB-CH2 4.24Å; N127-W149 HydrophobicContact CB-CZ3 4.31Å; I130-W149 HydrophobicContact CB-CH2 3.6Å; I130-W149 HydrophobicContact CB-CZ2 4.19Å; I130-W149 HydrophobicContact CB-CZ3 4.02Å; I130-W149 HydrophobicContact CG2-CE3 4.44Å; I130-W149 HydrophobicContact CG2-CH2 3.45Å; I130-W149 VanDerWaalsContact CG2-CH2 3.45Å; I130-W149 HydrophobicContact CG2-CZ2 3.56Å; I130-W149 HydrophobicContact CG2-CZ3 3.91Å; E145-W149 PolarHBondContact O-N 2.95Å; E145-W149 PolarHBondContact OE1-NE1 2.99Å; K147-W149 VanDerWaalsContact C-N 3.3Å; W149-E151 VanDerWaalsContact C-N 3.32Å; W149-E151 PolarHBondContact O-N 3.01Å
150E86.2Confident90.9Very high139 Ų13962.3 Ų62.365%0.6532%0.315SS*.THydrogen-bonded Turntrans-71.3-17.5-171.8-171.4171.4-163.400115K147 V148K147-E150 WeakPolarHBondContact O-CB 3.48Å; V148-E150 PolarHBondContact O-N 3.47Å
151E85.1Confident91.3Very high112 Ų11261.8 Ų61.852%0.52331%0.312SS..SBendtrans-137.9151.9-177.8-61.9170.1118.400110.6K85 W149K85-E151 WeakPolarHBondContact CE-OE2 3.25Å; K85-E151 IonicContact NZ-OE2 3.01Å; K85-E151 PolarHBondContact NZ-OE2 2.79Å; W149-E151 VanDerWaalsContact C-N 3.32Å; W149-E151 PolarHBondContact O-N 3.01Å
152E88.4Confident91.6Very high149 Ų14958 Ų5870%0.69630%0.295SS*.  trans-70.7137.3172.3-176.1171.3-176.500111.6K123 D154K123-E152 WeakPolarHBondContact CE-OE1 3.48Å; K123-E152 IonicContact NZ-OE1 3.97Å; K123-E152 PolarHBondContact NZ-OE1 2.72Å; K123-E152 IonicContact NZ-OE2 2.75Å; E152-D154 PolarHBondContact O-N 2.96Å
153F92.9Very high91.9Very high18 Ų1855.5 Ų55.58%0.07927%0.272CS..  trans-76.5120.3178.5-64.4-85.6000112.2T79 K85 P86 P88 V126 I130 V148 L155T79-F153 HydrophobicContact CG2-CD1 3.86Å; T79-F153 HydrophobicContact CG2-CE1 4.13Å; K85-F153 HydrophobicContact CB-CE1 4.25Å; P86-F153 WeakPolarHBondContact O-CE1 3.24Å; P88-F153 HydrophobicContact CG-CB 3.86Å; P88-F153 HydrophobicContact CG-CD1 3.89Å; P88-F153 HydrophobicContact CG-CD2 4.01Å; P88-F153 HydrophobicContact CG-CE1 4.44Å; P88-F153 HydrophobicContact CG-CG 3.64Å; V126-F153 HydrophobicContact CG1-CD2 3.94Å; V126-F153 HydrophobicContact CG1-CE2 4.5Å; I130-F153 HydrophobicContact CD1-CE1 3.83Å; I130-F153 HydrophobicContact CD1-CE2 4.25Å; I130-F153 HydrophobicContact CD1-CZ 3.66Å; I130-F153 HydrophobicContact CG1-CE1 4.41Å; I130-F153 HydrophobicContact CG1-CE2 3.91Å; I130-F153 HydrophobicContact CG1-CZ 3.81Å; V148-F153 HydrophobicContact CG1-CZ 3.91Å; F153-L155 HydrophobicContact CB-CD2 4.27Å; F153-L155 PolarHBondContact O-N 2.98Å
154D94.3Very high92.1Very high64 Ų6455 Ų5534%0.34227%0.27SS..  trans-68.995.5168.2175.326.8000111.1H87 E152 N156 S157H87-D154 PolarHBondContact NE2-O 3.03Å; E152-D154 PolarHBondContact O-N 2.96Å; D154-N156 PolarHBondContact O-N 3.47Å; D154-N156 VanDerWaalsContact OD1-CB 3.3Å; D154-N156 WeakPolarHBondContact OD1-CB 3.48Å; D154-N156 PolarHBondContact OD1-N 3.36Å; D154-N156 PolarHBondContact OD1-ND2 3.3Å; D154-S157 PolarHBondContact O-N 3.24Å; D154-S157 WeakPolarHBondContact OD2-CB 3.5Å; D154-S157 PolarHBondContact OD2-N 2.97Å; D154-S157 PolarHBondContact OD2-OG 2.84Å
155L95.6Very high92.4Very high33 Ų3352.3 Ų52.317%0.17325%0.254CS..THydrogen-bonded Turntrans-65.5-8.1177.9-55.5-176000113.8P88 H89 K123 V126 F153P88-L155 HydrophobicContact CB-CD2 4.4Å; P88-L155 HydrophobicContact CG-CD2 4.19Å; H89-L155 WeakPolarHBondContact CE1-CB 3.4Å; H89-L155 WeakPolarHBondContact CE1-CD2 3.19Å; H89-L155 VanDerWaalsContact NE2-CA 3.25Å; H89-L155 WeakPolarHBondContact NE2-CA 3.49Å; H89-L155 WeakPolarHBondContact NE2-CB 3.47Å; H89-L155 PolarHBondContact NE2-O 3.46Å; K123-L155 HydrophobicContact CB-CD1 4.23Å; V126-L155 HydrophobicContact CG2-CD1 4.17Å; V126-L155 HydrophobicContact CG2-CD2 3.93Å; F153-L155 HydrophobicContact CB-CD2 4.27Å; F153-L155 PolarHBondContact O-N 2.98Å
156N95.6Very high92.6Very high48 Ų4847.7 Ų47.726%0.25723%0.232SC..THydrogen-bonded Turntrans-92.7-9.9-179.8-42.1-77.4000112.9D154 F185 D186 A189 T192D154-N156 PolarHBondContact O-N 3.47Å; D154-N156 VanDerWaalsContact OD1-CB 3.3Å; D154-N156 WeakPolarHBondContact OD1-CB 3.48Å; D154-N156 PolarHBondContact OD1-N 3.36Å; D154-N156 PolarHBondContact OD1-ND2 3.3Å; N156-F185 CarbonylContact O-C 3.56Å; N156-F185 VanDerWaalsContact O-CA 3.32Å; N156-F185 WeakPolarHBondContact O-CA 3.4Å; N156-D186 PolarHBondContact O-N 2.87Å; N156-A189 HydrophobicContact CB-CB 4.15Å; N156-A189 VanDerWaalsContact OD1-CB 3.27Å; N156-A189 WeakPolarHBondContact OD1-CB 3.35Å; N156-T192 HydrophobicContact CB-CG2 4.35Å
157S95.9Very high92.6Very high1 Ų145.1 Ų45.11%0.00721%0.214CC..EExtended strand (participates in β ladder)trans-144.9137.3179.376.20000115.3K80 D154 I184 F185K80-S157 WeakPolarHBondContact CB-OG 3.41Å; K80-S157 WeakPolarHBondContact CD-OG 3.19Å; D154-S157 PolarHBondContact O-N 3.24Å; D154-S157 WeakPolarHBondContact OD2-CB 3.5Å; D154-S157 PolarHBondContact OD2-N 2.97Å; D154-S157 PolarHBondContact OD2-OG 2.84Å; S157-I184 WeakPolarHBondContact CA-O 3.28Å; S157-F185 VanDerWaalsContact CB-CD1 3.44Å
158V97.3Very high92.5Very high0 Ų042.6 Ų42.60%021%0.206CC..EExtended strand (participates in β ladder)trans-133.5166.2179.7-50.50000110.7F35 L77 H87 I118 P183 I184F35-V158 HydrophobicContact CE2-CG1 4.18Å; F35-V158 HydrophobicContact CZ-CG1 4.34Å; F35-V158 HydrophobicContact CZ-CG2 4.14Å; L77-V158 HydrophobicContact CD2-CG2 4.13Å; H87-V158 WeakPolarHBondContact ND1-CG1 3.43Å; I118-V158 HydrophobicContact CD1-CG2 3.62Å; V158-P183 CarbonylContact O-C 3.56Å; V158-P183 VanDerWaalsContact O-CA 3.31Å; V158-P183 WeakPolarHBondContact O-CA 3.43Å; V158-I184 HydrophobicContact CG2-CB 4.13Å; V158-I184 PolarHBondContact N-O 3.08Å; V158-I184 PolarHBondContact O-N 3.46Å
159R98.1Very high92.3Very high49 Ų4949.4 Ų49.419%0.18525%0.25CS..EExtended strand (participates in β ladder)trans-125153.3160.7-65.4173.8-176.6-97.46.8110.2L77 V78 K80 V180 S181 P183L77-R159 WeakPolarHBondContact CA-O 3.5Å; V78-R159 HydrophobicContact CG2-CB 4.04Å; V78-R159 PolarHBondContact N-O 3.03Å; V78-R159 PolarHBondContact O-N 2.6Å; K80-R159 PolarHBondContact O-NE 2.7Å; K80-R159 PolarHBondContact O-NH2 3.29Å; R159-V180 HydrophobicContact CB-CG1 3.47Å; R159-V180 VanDerWaalsContact CB-CG1 3.47Å; R159-V180 VanDerWaalsContact CD-CG1 3.45Å; R159-V180 HydrophobicContact CG-CG1 4.07Å; R159-S181 WeakPolarHBondContact CD-O 3.37Å; R159-S181 WeakPolarHBondContact CG-O 3.48Å; R159-S181 PolarHBondContact NH1-O 2.74Å; R159-P183 HydrophobicContact CG-CB 4.19Å
160L98Very high92.1Very high0 Ų050.1 Ų50.10%027%0.265CS..EExtended strand (participates in β ladder)trans-81.4126.3166.3-52.4-178.5000108.2P28 I47 P60 I75 L77 L91 F162 V180 S181 I184P28-L160 HydrophobicContact CB-CD1 4.43Å; P28-L160 HydrophobicContact CG-CD1 4.32Å; I47-L160 HydrophobicContact CD1-CD1 4.47Å; I47-L160 HydrophobicContact CD1-CD2 4.11Å; P60-L160 HydrophobicContact CB-CD1 4.24Å; P60-L160 HydrophobicContact CG-CD1 4.26Å; I75-L160 HydrophobicContact CG2-CB 4.05Å; L77-L160 HydrophobicContact CD2-CD2 3.52Å; L91-L160 HydrophobicContact CD1-CD2 4.31Å; L160-F162 HydrophobicContact CB-CD2 4.39Å; L160-F162 HydrophobicContact CB-CE2 3.78Å; L160-F162 HydrophobicContact CB-CZ 4.16Å; L160-F162 HydrophobicContact CD1-CE2 4.29Å; L160-F162 HydrophobicContact CD1-CZ 3.96Å; L160-V180 CarbonylContact O-C 3.45Å; L160-V180 WeakPolarHBondContact O-CA 2.98Å; L160-S181 PolarHBondContact N-OG 2.7Å; L160-S181 PolarHBondContact O-N 3.24Å; L160-I184 HydrophobicContact CD1-CD1 4.36Å; L160-I184 HydrophobicContact CD2-CD1 4.08Å; L160-I184 HydrophobicContact CG-CD1 3.99Å
161C97.6Very high91.9Very high0 Ų046 Ų460%026%0.26CS..EExtended strand (participates in β ladder)trans-100.9116.9167-170.30000108.7I75 S76 V78 P140I75-C161 WeakPolarHBondContact CA-O 3.46Å; S76-C161 PolarHBondContact N-O 2.83Å; S76-C161 PolarHBondContact O-N 2.91Å; V78-C161 HydrophobicContact CG1-CB 3.77Å; V78-C161 HydrophobicContact CG2-CB 3.94Å; P140-C161 HydrophobicContact CB-CB 4.35Å; P140-C161 VanDerWaalsContact CB-SG 3.56Å; P140-C161 HydrophobicContact CG-CB 4.19Å
162F97.1Very high91.9Very high0 Ų045.4 Ų45.40%026%0.26CS..EExtended strand (participates in β ladder)trans-91.7116.3174.5-62.7-94000108.7I22 I24 P60 I62 I75 F113 L160 P178 V179I22-F162 HydrophobicContact CD1-CB 3.77Å; I22-F162 WeakPolarHBondContact CD1-O 3.38Å; I24-F162 HydrophobicContact CD1-CD2 3.72Å; I24-F162 HydrophobicContact CD1-CE2 3.69Å; I24-F162 HydrophobicContact CG1-CD2 4.05Å; I24-F162 HydrophobicContact CG1-CE2 4.07Å; P60-F162 HydrophobicContact CB-CZ 4.47Å; I62-F162 HydrophobicContact CD1-CD1 4.38Å; I62-F162 HydrophobicContact CG2-CD1 3.59Å; I62-F162 HydrophobicContact CG2-CD2 4.37Å; I62-F162 HydrophobicContact CG2-CE1 3.72Å; I62-F162 HydrophobicContact CG2-CE2 4.47Å; I62-F162 HydrophobicContact CG2-CG 3.94Å; I62-F162 HydrophobicContact CG2-CZ 4.17Å; I75-F162 HydrophobicContact CD1-CD1 3.8Å; I75-F162 HydrophobicContact CD1-CE1 3.56Å; I75-F162 HydrophobicContact CG1-CD1 3.7Å; I75-F162 HydrophobicContact CG1-CE1 3.96Å; I75-F162 HydrophobicContact CG2-CD1 4.2Å; I75-F162 HydrophobicContact CG2-CE1 4.16Å; F113-F162 AromaticContact CD2-CE1 3.72Å; F113-F162 HydrophobicContact CD2-CE1 3.72Å; F113-F162 HydrophobicContact CE2-CD1 4.11Å; F113-F162 AromaticContact CE2-CE1 3.68Å; F113-F162 HydrophobicContact CE2-CE1 3.68Å; L160-F162 HydrophobicContact CB-CD2 4.39Å; L160-F162 HydrophobicContact CB-CE2 3.78Å; L160-F162 HydrophobicContact CB-CZ 4.16Å; L160-F162 HydrophobicContact CD1-CE2 4.29Å; L160-F162 HydrophobicContact CD1-CZ 3.96Å; F162-P178 WeakPolarHBondContact O-CA 3.4Å; F162-V179 PolarHBondContact N-O 2.88Å; F162-V179 PolarHBondContact O-N 2.94Å
163Q95.5Very high91.9Very high47 Ų4742.8 Ų42.822%0.2225%0.249CC..EExtended strand (participates in β ladder)trans-107.1132.8169.4-59.6175.8-9300107.7V73 R74 P140 P178V73-Q163 WeakPolarHBondContact CA-O 3.27Å; R74-Q163 HydrophobicContact CB-CB 4.34Å; R74-Q163 PolarHBondContact N-O 2.82Å; R74-Q163 PolarHBondContact O-N 2.91Å; R74-Q163 VanDerWaalsContact O-O 3.11Å; P140-Q163 HydrophobicContact CB-CG 4.09Å; Q163-P178 HydrophobicContact CG-CB 4.21Å; Q163-P178 HydrophobicContact CG-CG 4.29Å
164A94.1Very high91.7Very high4 Ų446.7 Ų46.73%0.03327%0.266CS..EExtended strand (participates in β ladder)trans-129.2145.2179.300000109.8I22 L71 V73 L176I22-A164 HydrophobicContact CD1-CB 4.22Å; I22-A164 HydrophobicContact CG2-CB 3.66Å; L71-A164 HydrophobicContact CD1-CB 4.29Å; V73-A164 HydrophobicContact CG2-CB 4.24Å; A164-L176 HydrophobicContact CB-CB 4.34Å; A164-L176 HydrophobicContact CB-CD1 4.1Å; A164-L176 HydrophobicContact CB-CG 4.36Å; A164-L176 WeakPolarHBondContact O-CB 3.16Å; A164-L176 PolarHBondContact O-N 2.84Å
165S93.4Very high91.6Very high24 Ų2448.2 Ų48.217%0.16828%0.279CS..EExtended strand (participates in β ladder)trans-138.8128.5176.347.10000109.2R72 M173 F174R72-S165 PolarHBondContact N-O 3.43Å; R72-S165 PolarHBondContact O-N 2.84Å; R72-S165 PolarHBondContact O-OG 2.86Å; S165-M173 WeakPolarHBondContact OG-CE 3.45Å; S165-F174 VanDerWaalsContact CA-O 3.32Å; S165-F174 WeakPolarHBondContact CA-O 3.28Å
166I91.8Very high91.5Very high6 Ų647 Ų473%0.03127%0.273CS..EExtended strand (participates in β ladder)trans-93.8143.6177.961.9176.3000109.5P20 Y67 L71 L168 F174 L176P20-I166 HydrophobicContact CB-CD1 4.37Å; P20-I166 HydrophobicContact CG-CD1 3.72Å; Y67-I166 HydrophobicContact CD1-CB 4.2Å; Y67-I166 HydrophobicContact CD1-CG2 3.47Å; Y67-I166 VanDerWaalsContact CD1-CG2 3.47Å; Y67-I166 HydrophobicContact CD2-CB 4.22Å; Y67-I166 HydrophobicContact CD2-CD1 3.92Å; Y67-I166 HydrophobicContact CD2-CG2 4.04Å; Y67-I166 HydrophobicContact CE1-CB 3.81Å; Y67-I166 HydrophobicContact CE1-CG2 3.54Å; Y67-I166 HydrophobicContact CE2-CB 3.84Å; Y67-I166 HydrophobicContact CE2-CD1 4Å; Y67-I166 HydrophobicContact CE2-CG1 4.41Å; Y67-I166 HydrophobicContact CE2-CG2 4.11Å; Y67-I166 HydrophobicContact CG-CB 4.39Å; Y67-I166 HydrophobicContact CG-CG2 3.74Å; L71-I166 HydrophobicContact CD1-CG2 3.67Å; I166-L168 HydrophobicContact CD1-CD2 4.09Å; I166-L168 HydrophobicContact CG1-CD2 4.38Å; I166-F174 HydrophobicContact CD1-CB 4.42Å; I166-F174 HydrophobicContact CD1-CD1 4.04Å; I166-F174 HydrophobicContact CG1-CB 3.85Å; I166-F174 HydrophobicContact CG1-CD1 4.07Å; I166-F174 HydrophobicContact CG1-CG 4.45Å; I166-F174 PolarHBondContact N-O 2.81Å; I166-F174 PolarHBondContact O-N 2.99Å; I166-L176 HydrophobicContact CD1-CD2 4.34Å; I166-L176 HydrophobicContact CG1-CD2 4.36Å; I166-L176 HydrophobicContact CG2-CD1 4.12Å; I166-L176 HydrophobicContact CG2-CD2 4.33Å; I166-L176 HydrophobicContact CG2-CG 4.39Å
167T87.7Confident91.4Very high50 Ų5049 Ų4931%0.30729%0.288SS..EExtended strand (participates in β ladder)trans-85.7121.5168.8-51.70000108.5Y67 P70Y67-T167 PolarHBondContact OH-O 2.91Å; P70-T167 PolarHBondContact O-N 2.69Å
168L85Confident91.3Very high62 Ų6251.1 Ų51.133%0.32530%0.302SS..PPolyproline II helixtrans-76.6159.1174.4-64.7-178.7000110.6I166 T170 G171 D172 F174I166-L168 HydrophobicContact CD1-CD2 4.09Å; I166-L168 HydrophobicContact CG1-CD2 4.38Å; L168-T170 PolarHBondContact O-N 3.38Å; L168-G171 PolarHBondContact O-N 3.44Å; L168-D172 HydrophobicContact CD1-CB 4.36Å; L168-D172 PolarHBondContact N-O 2.9Å; L168-F174 HydrophobicContact CD1-CB 4.05Å; L168-F174 HydrophobicContact CD2-CB 4.24Å; L168-F174 HydrophobicContact CG-CB 4Å
169P82.3Confident91.3Very high143 Ų14353.2 Ų53.293%0.92932%0.315SS*.THydrogen-bonded Turntrans-59.7-14.3175.9-25.435.7000115.1G171P169-G171 VanDerWaalsContact C-N 3.33Å
170T82.9Confident91.2Very high103 Ų10352.6 Ų52.663%0.63232%0.316SS*.THydrogen-bonded Turntrans-79-12.6172.351.20000113.7L168 D172L168-T170 PolarHBondContact O-N 3.38Å; T170-D172 WeakPolarHBondContact CB-OD2 3.4Å; T170-D172 PolarHBondContact OG1-N 3.1Å; T170-D172 PolarHBondContact OG1-OD2 2.9Å
171G81.6Confident91.3Very high53 Ų5352.6 Ų52.655%0.54632%0.317SS..SBendtrans93.5-12.5-169.400000114L168 P169L168-G171 PolarHBondContact O-N 3.44Å; P169-G171 VanDerWaalsContact C-N 3.33Å
172D85.5Confident91.3Very high99 Ų9956.4 Ų56.453%0.52934%0.335SS..  trans-69.1141.8-179.1-59.8-63.1000112.3L168 T170L168-D172 HydrophobicContact CD1-CB 4.36Å; L168-D172 PolarHBondContact N-O 2.9Å; T170-D172 WeakPolarHBondContact CB-OD2 3.4Å; T170-D172 PolarHBondContact OG1-N 3.1Å; T170-D172 PolarHBondContact OG1-OD2 2.9Å
173M87.1Confident91.3Very high94 Ų9456.9 Ų56.946%0.46334%0.338SS..EExtended strand (participates in β ladder)trans-89.8113.2173.6-66.7-166.977.100110.9R72 S165R72-M173 HydrophobicContact CB-CE 3.86Å; R72-M173 HydrophobicContact CG-CE 4.41Å; S165-M173 WeakPolarHBondContact OG-CE 3.45Å
174F89.6Confident91.4Very high101 Ų10154.7 Ų54.744%0.44333%0.327SS..EExtended strand (participates in β ladder)trans-97.8115.3176.5-179.2-93.8000110.8S165 I166 L168 L176S165-F174 VanDerWaalsContact CA-O 3.32Å; S165-F174 WeakPolarHBondContact CA-O 3.28Å; I166-F174 HydrophobicContact CD1-CB 4.42Å; I166-F174 HydrophobicContact CD1-CD1 4.04Å; I166-F174 HydrophobicContact CG1-CB 3.85Å; I166-F174 HydrophobicContact CG1-CD1 4.07Å; I166-F174 HydrophobicContact CG1-CG 4.45Å; I166-F174 PolarHBondContact N-O 2.81Å; I166-F174 PolarHBondContact O-N 2.99Å; L168-F174 HydrophobicContact CD1-CB 4.05Å; L168-F174 HydrophobicContact CD2-CB 4.24Å; L168-F174 HydrophobicContact CG-CB 4Å; F174-L176 HydrophobicContact CD1-CD2 3.83Å; F174-L176 HydrophobicContact CE1-CD2 3.94Å
175P92.3Very high91.5Very high95 Ų9554.9 Ų54.962%0.61733%0.328SS*.EExtended strand (participates in β ladder)trans-77135.1-179.830.9-33.9000111.9
176L93.3Very high91.6Very high8 Ų854.5 Ų54.54%0.04232%0.323CS..PPolyproline II helixtrans-89.8154.8173.1-50.8-170.6000110.4P20 I22 A164 I166 F174P20-L176 HydrophobicContact CB-CD1 4.38Å; P20-L176 HydrophobicContact CB-CD2 4.03Å; P20-L176 HydrophobicContact CG-CD2 3.77Å; I22-L176 HydrophobicContact CG2-CD1 3.88Å; A164-L176 HydrophobicContact CB-CB 4.34Å; A164-L176 HydrophobicContact CB-CD1 4.1Å; A164-L176 HydrophobicContact CB-CG 4.36Å; A164-L176 WeakPolarHBondContact O-CB 3.16Å; A164-L176 PolarHBondContact O-N 2.84Å; I166-L176 HydrophobicContact CD1-CD2 4.34Å; I166-L176 HydrophobicContact CG1-CD2 4.36Å; I166-L176 HydrophobicContact CG2-CD1 4.12Å; I166-L176 HydrophobicContact CG2-CD2 4.33Å; I166-L176 HydrophobicContact CG2-CG 4.39Å; F174-L176 HydrophobicContact CD1-CD2 3.83Å; F174-L176 HydrophobicContact CE1-CD2 3.94Å
177P92.5Very high91.8Very high89 Ų8956.9 Ų56.958%0.57834%0.336SS*.PPolyproline II helixtrans-54.6129.2175.7-26.635.6000112.3
178P94.7Very high92Very high47 Ų4763.6 Ų63.631%0.30536%0.356SS..PPolyproline II helixtrans-63.5139.2177.2-22.333000112.3F141 F162 Q163F141-P178 HydrophobicContact CE1-CB 4.26Å; F141-P178 HydrophobicContact CZ-CB 4.14Å; F162-P178 WeakPolarHBondContact O-CA 3.4Å; Q163-P178 HydrophobicContact CG-CB 4.21Å; Q163-P178 HydrophobicContact CG-CG 4.29Å
179V96.6Very high92.3Very high44 Ų4461.1 Ų61.127%0.26734%0.344SS..EExtended strand (participates in β ladder)trans-121.2133.4178.4179.30000110.1I22 I24 F162I22-V179 HydrophobicContact CD1-CB 4Å; I22-V179 HydrophobicContact CD1-CG2 4.04Å; I22-V179 HydrophobicContact CG1-CB 3.85Å; I22-V179 HydrophobicContact CG1-CG2 3.48Å; I22-V179 VanDerWaalsContact CG1-CG2 3.48Å; I24-V179 HydrophobicContact CD1-CG1 3.89Å; I24-V179 HydrophobicContact CG1-CG1 4.02Å; F162-V179 PolarHBondContact N-O 2.88Å; F162-V179 PolarHBondContact O-N 2.94Å
180V97.7Very high92.6Very high35 Ų3555.9 Ų55.921%0.21231%0.31CS..EExtended strand (participates in β ladder)trans-108136-172.1-166.20000110.7V78 F141 R159 L160V78-V180 HydrophobicContact CG2-CG1 3.92Å; F141-V180 HydrophobicContact CE2-CG2 3.99Å; F141-V180 HydrophobicContact CZ-CG2 3.55Å; R159-V180 HydrophobicContact CB-CG1 3.47Å; R159-V180 VanDerWaalsContact CB-CG1 3.47Å; R159-V180 VanDerWaalsContact CD-CG1 3.45Å; R159-V180 HydrophobicContact CG-CG1 4.07Å; L160-V180 CarbonylContact O-C 3.45Å; L160-V180 WeakPolarHBondContact O-CA 2.98Å
181S98.1Very high93.1Very high1 Ų153.7 Ų53.71%0.00730%0.295CS..PPolyproline II helixtrans-71.7170178.976.10000113.6R159 L160R159-S181 WeakPolarHBondContact CD-O 3.37Å; R159-S181 WeakPolarHBondContact CG-O 3.48Å; R159-S181 PolarHBondContact NH1-O 2.74Å; L160-S181 PolarHBondContact N-OG 2.7Å; L160-S181 PolarHBondContact O-N 3.24Å
182Q97.6Very high93.6Very high80 Ų8051.7 Ų51.737%0.37427%0.272SS..PPolyproline II helixtrans-58.3153.4157.6-66-59.53.200111.5Q27 Q30Q27-Q182 HydrophobicContact CB-CG 4.44Å; Q27-Q182 HydrophobicContact CG-CG 3.96Å; Q30-Q182 HydrophobicContact CG-CB 4.15Å
183P97.3Very high94Very high10 Ų1047.5 Ų47.57%0.06525%0.251CS..PPolyproline II helixtrans-72141.7-174.930.8-33.8000111.5Q30 K80 V158 R159 F185Q30-P183 WeakPolarHBondContact CA-O 3.44Å; Q30-P183 VanDerWaalsContact CB-O 3.25Å; Q30-P183 WeakPolarHBondContact CB-O 3.32Å; Q30-P183 WeakPolarHBondContact CG-O 3.4Å; K80-P183 HydrophobicContact CD-CB 4.43Å; K80-P183 HydrophobicContact CG-CB 4.18Å; V158-P183 CarbonylContact O-C 3.56Å; V158-P183 VanDerWaalsContact O-CA 3.31Å; V158-P183 WeakPolarHBondContact O-CA 3.43Å; R159-P183 HydrophobicContact CG-CB 4.19Å; P183-F185 HydrophobicContact CB-CE2 4.01Å; P183-F185 HydrophobicContact CB-CZ 3.97Å; P183-F185 HydrophobicContact CG-CE2 3.73Å; P183-F185 HydrophobicContact CG-CZ 3.83Å
184I97.7Very high94.4Very high0 Ų046.6 Ų46.60%025%0.246CC..EExtended strand (participates in β ladder)trans-105.3129.8172.2-47.8174.7000107.1P28 Q30 M33 F35 I47 I118 S157 V158 L160P28-I184 HydrophobicContact CB-CD1 3.6Å; P28-I184 HydrophobicContact CB-CG1 3.78Å; P28-I184 HydrophobicContact CG-CD1 3.79Å; P28-I184 HydrophobicContact CG-CG1 3.68Å; Q30-I184 WeakPolarHBondContact O-CA 3.32Å; M33-I184 HydrophobicContact CE-CG2 4.06Å; F35-I184 HydrophobicContact CE1-CG2 4Å; F35-I184 HydrophobicContact CZ-CG2 4.45Å; I47-I184 HydrophobicContact CD1-CD1 4.33Å; I47-I184 HydrophobicContact CG1-CD1 4.48Å; I47-I184 HydrophobicContact CG2-CD1 3.93Å; I118-I184 HydrophobicContact CD1-CD1 4.12Å; I118-I184 HydrophobicContact CD1-CG2 4.32Å; S157-I184 WeakPolarHBondContact CA-O 3.28Å; V158-I184 HydrophobicContact CG2-CB 4.13Å; V158-I184 PolarHBondContact N-O 3.08Å; V158-I184 PolarHBondContact O-N 3.46Å; L160-I184 HydrophobicContact CD1-CD1 4.36Å; L160-I184 HydrophobicContact CD2-CD1 4.08Å; L160-I184 HydrophobicContact CG-CD1 3.99Å
185F96.8Very high94.7Very high9 Ų942.2 Ų42.24%0.03923%0.227CC..EExtended strand (participates in β ladder)trans-110.7145.9-178.3-63.5-80.3000111.7Q30 R31 K80 N156 S157 P183 N187 T192Q30-F185 HydrophobicContact CB-CD2 4.46Å; Q30-F185 WeakPolarHBondContact O-CD2 3.41Å; Q30-F185 PolarHBondContact O-N 3.18Å; R31-F185 HydrophobicContact CG-CB 4.2Å; R31-F185 HydrophobicContact CG-CD2 3.85Å; R31-F185 HydrophobicContact CG-CG 4.41Å; K80-F185 HydrophobicContact CD-CE1 4.07Å; K80-F185 HydrophobicContact CD-CZ 4.25Å; N156-F185 CarbonylContact O-C 3.56Å; N156-F185 VanDerWaalsContact O-CA 3.32Å; N156-F185 WeakPolarHBondContact O-CA 3.4Å; S157-F185 VanDerWaalsContact CB-CD1 3.44Å; P183-F185 HydrophobicContact CB-CE2 4.01Å; P183-F185 HydrophobicContact CB-CZ 3.97Å; P183-F185 HydrophobicContact CG-CE2 3.73Å; P183-F185 HydrophobicContact CG-CZ 3.83Å; F185-N187 PolarHBondContact O-N 2.69Å; F185-T192 HydrophobicContact CD1-CG2 3.79Å; F185-T192 HydrophobicContact CE1-CG2 4.39Å
186D96.1Very high94.9Very high15 Ų1542.6 Ų42.68%0.0822%0.219CC..  trans-76.1115176.4-168.50.4000111.4R34 F35 N156 R188 A189 T192R34-D186 VanDerWaalsContact CA-OD1 3.24Å; R34-D186 WeakPolarHBondContact CA-OD1 3.2Å; F35-D186 HydrophobicContact CD1-CB 4.39Å; F35-D186 HydrophobicContact CD2-CB 3.64Å; F35-D186 HydrophobicContact CE1-CB 4.48Å; F35-D186 HydrophobicContact CE2-CB 3.78Å; F35-D186 HydrophobicContact CG-CB 3.96Å; F35-D186 HydrophobicContact CZ-CB 4.2Å; F35-D186 PolarHBondContact N-OD1 3.2Å; N156-D186 PolarHBondContact O-N 2.87Å; D186-R188 PolarHBondContact O-N 3.28Å; D186-R188 WeakPolarHBondContact OD1-CB 3.25Å; D186-R188 PolarHBondContact OD1-N 3.36Å; D186-R188 WeakPolarHBondContact OD2-CB 3.41Å; D186-A189 PolarHBondContact O-N 2.58Å; D186-A189 VanDerWaalsContact O-N 3.11Å; D186-T192 PolarHBondContact O-OG1 2.77Å
187N94.7Very high95.2Very high56 Ų5643 Ų4330%0.29922%0.221SC..THydrogen-bonded Turntrans-68.41.1173.8-158.133.8000114G32 M33 R34 F185 A193 E194G32-N187 WeakPolarHBondContact CA-ND2 3.26Å; G32-N187 PolarHBondContact O-ND2 3.45Å; M33-N187 WeakPolarHBondContact O-CB 3.24Å; M33-N187 PolarHBondContact O-N 2.84Å; R34-N187 HydrophobicContact CB-CB 4.32Å; F185-N187 PolarHBondContact O-N 2.69Å; N187-A193 VanDerWaalsContact OD1-CA 3.3Å; N187-A193 WeakPolarHBondContact OD1-CA 3.1Å; N187-A193 WeakPolarHBondContact OD1-CB 3.35Å; N187-E194 PolarHBondContact OD1-N 3.11Å
188R92.5Very high95.4Very high192 Ų19241.5 Ų41.573%0.72521%0.212SC*.THydrogen-bonded Turntrans-83.1-22.2168.6-167.656.1169.4-168.8-2.6113.5D186D186-R188 PolarHBondContact O-N 3.28Å; D186-R188 WeakPolarHBondContact OD1-CB 3.25Å; D186-R188 PolarHBondContact OD1-N 3.36Å; D186-R188 WeakPolarHBondContact OD2-CB 3.41Å
189A91.4Very high95.5Very high9 Ų948.3 Ų48.37%0.07423%0.232CC..SBendtrans-96.8116-172.200000111.5N156 D186 N191 T192 A193N156-A189 HydrophobicContact CB-CB 4.15Å; N156-A189 VanDerWaalsContact OD1-CB 3.27Å; N156-A189 WeakPolarHBondContact OD1-CB 3.35Å; D186-A189 PolarHBondContact O-N 2.58Å; D186-A189 VanDerWaalsContact O-N 3.11Å; A189-N191 WeakPolarHBondContact CB-OD1 3.33Å; A189-N191 PolarHBondContact O-N 3.46Å; A189-T192 CarbonylContact O-C 3.59Å; A189-T192 PolarHBondContact O-N 2.86Å; A189-A193 WeakPolarHBondContact O-CB 3.37Å; A189-A193 PolarHBondContact O-N 2.85Å
190P88.8Confident95.6Very high34 Ų3447.9 Ų47.922%0.22123%0.229CC..THydrogen-bonded Turntrans-62.6-19.1-170.3-26.836.2000116.4K219 Q221 R275P190-K219 HydrophobicContact CG-CB 4.5Å; P190-Q221 HydrophobicContact CB-CG 4.17Å; P190-R275 PolarHBondContact O-NH1 2.91Å
191N92.8Very high95.6Very high56 Ų5650.3 Ų50.330%0.29924%0.241SC..THydrogen-bonded Turntrans-76.3-18.7172.957.4-41.8000113.6A189 R275A189-N191 WeakPolarHBondContact CB-OD1 3.33Å; A189-N191 PolarHBondContact O-N 3.46Å; N191-R275 PolarHBondContact O-NE 2.84Å; N191-R275 PolarHBondContact O-NH1 3.31Å
192T93.4Very high95.4Very high11 Ų1154.7 Ų54.77%0.06726%0.257CS..THydrogen-bonded Turntrans-131.7-2-177620000114.6R31 N156 F185 D186 A189R31-T192 PolarHBondContact NH1-O 2.96Å; N156-T192 HydrophobicContact CB-CG2 4.35Å; F185-T192 HydrophobicContact CD1-CG2 3.79Å; F185-T192 HydrophobicContact CE1-CG2 4.39Å; D186-T192 PolarHBondContact O-OG1 2.77Å; A189-T192 CarbonylContact O-C 3.59Å; A189-T192 PolarHBondContact O-N 2.86Å
193A94.3Very high95.3Very high12 Ų1256 Ų5610%0.09927%0.267CS..SBendtrans-65.914917600000113N187 A189 L195 R275N187-A193 VanDerWaalsContact OD1-CA 3.3Å; N187-A193 WeakPolarHBondContact OD1-CA 3.1Å; N187-A193 WeakPolarHBondContact OD1-CB 3.35Å; A189-A193 WeakPolarHBondContact O-CB 3.37Å; A189-A193 PolarHBondContact O-N 2.85Å; A193-L195 PolarHBondContact O-N 3.06Å; A193-R275 PolarHBondContact O-NH2 3.27Å
194E94.9Very high95.2Very high74 Ų7457.2 Ų57.235%0.34628%0.276SS..PPolyproline II helixtrans-62120.1-178.9-173.5163.6-140.400110.8K29 R31 G32 N187 K196 E280K29-E194 WeakPolarHBondContact CE-OE1 3.39Å; K29-E194 IonicContact NZ-OE1 3.84Å; K29-E194 PolarHBondContact NZ-OE1 3.45Å; K29-E194 IonicContact NZ-OE2 3.66Å; K29-E194 PolarHBondContact NZ-OE2 2.87Å; R31-E194 HydrophobicContact CB-CB 4.28Å; G32-E194 WeakPolarHBondContact CA-OE2 3.3Å; N187-E194 PolarHBondContact OD1-N 3.11Å; E194-K196 PolarHBondContact O-N 2.91Å; E194-E280 WeakPolarHBondContact CA-OE1 3.08Å
195L96.6Very high95.1Very high9 Ų957.3 Ų57.35%0.04728%0.276CS..PPolyproline II helixtrans-69.7128.9-179.4-67.3-178000111.5A193 V220 I225 L273 R275 E280 S282A193-L195 PolarHBondContact O-N 3.06Å; L195-V220 HydrophobicContact CD2-CG1 4.08Å; L195-I225 HydrophobicContact CD1-CD1 4.44Å; L195-I225 HydrophobicContact CD2-CD1 3.95Å; L195-L273 HydrophobicContact CB-CB 4.42Å; L195-L273 HydrophobicContact CD1-CB 4.24Å; L195-R275 HydrophobicContact CD1-CB 4.08Å; L195-E280 HydrophobicContact CD1-CB 4.37Å; L195-E280 HydrophobicContact CD1-CG 4.09Å; L195-E280 HydrophobicContact CG-CG 4.08Å; L195-E280 PolarHBondContact N-OE1 3.35Å; L195-S282 VanDerWaalsContact O-CA 3.24Å; L195-S282 WeakPolarHBondContact O-CA 3.48Å; L195-S282 WeakPolarHBondContact O-CB 3.38Å
196K96.4Very high94.9Very high103 Ų10358.5 Ų58.545%0.44829%0.286SS..  trans-140.7129-179-165.9169.9-170.7163.80113.7E194 C217 D218E194-K196 PolarHBondContact O-N 2.91Å; K196-C217 VanDerWaalsContact O-CA 3.24Å; K196-C217 WeakPolarHBondContact O-CA 3.45Å; K196-C217 WeakPolarHBondContact O-CB 3.26Å; K196-D218 HydrophobicContact CB-CB 4.18Å; K196-D218 WeakPolarHBondContact CB-OD2 3.33Å; K196-D218 WeakPolarHBondContact CD-OD2 3.48Å; K196-D218 PolarHBondContact O-N 3.27Å
197I98Very high94.9Very high17 Ų1757.8 Ų57.89%0.08728%0.282CS..EExtended strand (participates in β ladder)trans-85.5121.9163.9-60.9175.4000107.5V200 L215 M271 L273 M285I197-V200 HydrophobicContact CG2-CG2 3.72Å; I197-L215 HydrophobicContact CD1-CD1 4.07Å; I197-L215 HydrophobicContact CG1-CD1 4.17Å; I197-L215 HydrophobicContact CG1-CD2 4.45Å; I197-L215 HydrophobicContact CG2-CD1 4.28Å; I197-L215 HydrophobicContact CG2-CG 4.17Å; I197-M271 HydrophobicContact CD1-CE 4.39Å; I197-L273 HydrophobicContact CD1-CG 4.31Å; I197-L273 HydrophobicContact CG1-CD1 3.91Å; I197-L273 HydrophobicContact CG1-CG 3.74Å; I197-M285 HydrophobicContact CB-CE 4.39Å; I197-M285 HydrophobicContact CG2-CE 3.71Å; I197-M285 HydrophobicContact CG2-SD 4.18Å
198C97.2Very high94.8Very high58 Ų5861.8 Ų61.839%0.39229%0.293SS..EExtended strand (participates in β ladder)trans-97.8-45-177.1-66.10000111.7L216C198-L216 WeakPolarHBondContact CA-O 3.25Å; C198-L216 WeakPolarHBondContact CB-O 3.33Å; C198-L216 PolarHBondContact N-O 3.06Å
199R97.4Very high95Very high190 Ų19053.3 Ų53.372%0.71727%0.266SS*.EExtended strand (participates in β ladder)trans-152.9160.4174-66.6-169.3175.3176-1.7111.4L216R199-L216 HydrophobicContact CB-CB 4.35Å; R199-L216 HydrophobicContact CB-CD1 4.3Å; R199-L216 PolarHBondContact N-O 1.83Å; R199-L216 PolarHBondContact O-N 2.99Å
200V97.9Very high95.2Very high35 Ų3555 Ų5521%0.21228%0.283CS..EExtended strand (participates in β ladder)trans-139.1140.2176.4-169.30000108.5I197 R202 I213 F214 L215 M271 M285I197-V200 HydrophobicContact CG2-CG2 3.72Å; V200-R202 WeakPolarHBondContact CG1-O 3.49Å; V200-I213 HydrophobicContact CG1-CG2 3.39Å; V200-F214 WeakPolarHBondContact CA-O 3.5Å; V200-L215 HydrophobicContact CG2-CD1 4.44Å; V200-L215 HydrophobicContact CG2-CG 4.29Å; V200-M271 HydrophobicContact CG1-CE 4.25Å; V200-M271 HydrophobicContact CG2-CE 3.82Å; V200-M285 HydrophobicContact CB-SD 4.44Å; V200-M285 HydrophobicContact CG2-CE 4.5Å; V200-M285 HydrophobicContact CG2-SD 3.58Å; V200-M285 VanDerWaalsContact CG2-SD 3.58Å
201N97.3Very high95.5Very high85 Ų8554.9 Ų54.946%0.45528%0.281SS..SBendtrans-71-32.7179.471.9-32.3000113.7I213 F214N201-I213 WeakPolarHBondContact OD1-CA 3.24Å; N201-F214 HydrophobicContact CB-CB 4.12Å; N201-F214 PolarHBondContact N-O 3.24Å; N201-F214 PolarHBondContact OD1-N 3.42Å; N201-F214 PolarHBondContact OD1-O 3.02Å
202R94.6Very high95.7Very high93 Ų9355.9 Ų55.935%0.35128%0.284SS..  trans-140.9124-177.5-69.4179.261.2-165.5-7109.9V200 S204 D211V200-R202 WeakPolarHBondContact CG1-O 3.49Å; R202-S204 PolarHBondContact NE-O 3.39Å; R202-S204 PolarHBondContact NH2-O 3.09Å; R202-S204 VanDerWaalsContact NH2-O 3.15Å; R202-D211 IonicContact CZ-OD1 2.7Å; R202-D211 IonicContact NH1-OD1 3.43Å; R202-D211 PolarHBondContact NH1-OD1 3.48Å; R202-D211 VanDerWaalsContact NH2-CG 3.28Å; R202-D211 IonicContact NH2-OD1 2.69Å; R202-D211 PolarHBondContact NH2-OD1 3.42Å; R202-D211 IonicContact NH2-OD2 3.13Å
203N95.3Very high96Very high108 Ų10855.4 Ų55.458%0.57828%0.281SS*.SBendtrans-100.312.8173.162-8.9000112.7F287 Q288N203-F287 VanDerWaalsContact C-CD2 3.41Å; N203-F287 VanDerWaalsContact C-CE2 3.48Å; N203-F287 CarbonylContact O-C 3.59Å; N203-F287 WeakPolarHBondContact O-CA 3.3Å; N203-F287 WeakPolarHBondContact O-CD2 3.48Å; N203-Q288 PolarHBondContact O-N 3.49Å
204S95.6Very high96.2Very high36 Ų3659.8 Ų59.825%0.25230%0.298SS..EExtended strand (participates in β ladder)trans-148.7151.4174.761.90000113.3R202 F287 Q288R202-S204 PolarHBondContact NE-O 3.39Å; R202-S204 PolarHBondContact NH2-O 3.09Å; R202-S204 VanDerWaalsContact NH2-O 3.15Å; S204-F287 VanDerWaalsContact C-CZ 3.46Å; S204-Q288 WeakPolarHBondContact CA-O 3.34Å; S204-Q288 VanDerWaalsContact CB-O 3.31Å; S204-Q288 WeakPolarHBondContact CB-O 3.25Å
205G94.6Very high96.3Very high1 Ų156.3 Ų56.31%0.0128%0.281CS..EExtended strand (participates in β ladder)trans-166.8172.5-176.500000113.2D211 Q288 F289 L290G205-D211 WeakPolarHBondContact CA-OD2 3.44Å; G205-Q288 PolarHBondContact N-O 2.78Å; G205-Q288 VanDerWaalsContact N-O 3.1Å; G205-F289 CarbonylContact O-C 3.42Å; G205-F289 WeakPolarHBondContact O-CA 3.35Å; G205-L290 PolarHBondContact O-N 2.69Å
206S94.2Very high96.4Very high34 Ų3460 Ų6024%0.23830%0.301CS..EExtended strand (participates in β ladder)trans-64.7137.5-179.3-178.80000112R208 G209 D211 F289S206-R208 PolarHBondContact O-N 3.05Å; S206-R208 VanDerWaalsContact O-N 3.08Å; S206-R208 PolarHBondContact OG-N 2.81Å; S206-G209 PolarHBondContact O-N 2.95Å; S206-D211 PolarHBondContact N-OD2 3.08Å; S206-F289 WeakPolarHBondContact O-CD1 3.37Å
207C94.3Very high96.5Very high0 Ų055.6 Ų55.60%028%0.283CS..THydrogen-bonded Turntrans-54.9-22.217059.10000113.7G209 Y258 T261 L263 L290 A292C207-G209 PolarHBondContact O-N 3.4Å; C207-Y258 PolarHBondContact O-N 3.34Å; C207-T261 PolarHBondContact SG-O 2.81Å; C207-L263 HydrophobicContact CB-CD1 3.68Å; C207-L263 HydrophobicContact CB-CG 3.79Å; C207-L290 WeakPolarHBondContact CB-O 3.5Å; C207-L290 PolarHBondContact N-O 2.99Å; C207-L290 PolarHBondContact SG-O 3.19Å; C207-L290 VanDerWaalsContact SG-O 3.38Å; C207-A292 PolarHBondContact SG-N 2.6Å
208R94.3Very high96.4Very high140 Ų14058.6 Ų58.653%0.52830%0.299SS..THydrogen-bonded Turntrans-73-8.8175.3-65173.265.2-158.3-2.2113.5S206 T261 A292 E296S206-R208 PolarHBondContact O-N 3.05Å; S206-R208 VanDerWaalsContact O-N 3.08Å; S206-R208 PolarHBondContact OG-N 2.81Å; R208-T261 HydrophobicContact CG-CG2 4.3Å; R208-A292 HydrophobicContact CG-CB 4.19Å; R208-E296 IonicContact CZ-OE2 3.24Å; R208-E296 IonicContact NH1-OE2 2.74Å; R208-E296 PolarHBondContact NH1-OE2 3.19Å
209G94.9Very high96.4Very high15 Ų1561.9 Ų61.916%0.15531%0.307CS..  trans71.6-169.8-17600000113S206 C207 D211 T255 P256S206-G209 PolarHBondContact O-N 2.95Å; C207-G209 PolarHBondContact O-N 3.4Å; G209-D211 VanDerWaalsContact C-N 3.31Å; G209-D211 PolarHBondContact O-N 3.12Å; G209-T255 WeakPolarHBondContact CA-O 3.49Å; G209-T255 WeakPolarHBondContact CA-OG1 3.42Å; G209-P256 WeakPolarHBondContact CA-O 3.33Å
210G95.8Very high96.3Very high43 Ų4353 Ų5344%0.44327%0.273SS..  trans84-6.9176.600000115.8E212 T255G210-E212 PolarHBondContact O-N 3.19Å; G210-T255 PolarHBondContact N-O 2.89Å; G210-T255 PolarHBondContact N-OG1 2.86Å; G210-T255 VanDerWaalsContact N-OG1 3.15Å
211D95.9Very high96.3Very high33 Ų3353.9 Ų53.918%0.17628%0.275CS..  trans-62.5131.2172.9-85.9-68000110.8R202 G205 S206 G209 R254 T255R202-D211 IonicContact CZ-OD1 2.7Å; R202-D211 IonicContact NH1-OD1 3.43Å; R202-D211 PolarHBondContact NH1-OD1 3.48Å; R202-D211 VanDerWaalsContact NH2-CG 3.28Å; R202-D211 IonicContact NH2-OD1 2.69Å; R202-D211 PolarHBondContact NH2-OD1 3.42Å; R202-D211 IonicContact NH2-OD2 3.13Å; G205-D211 WeakPolarHBondContact CA-OD2 3.44Å; S206-D211 PolarHBondContact N-OD2 3.08Å; G209-D211 VanDerWaalsContact C-N 3.31Å; G209-D211 PolarHBondContact O-N 3.12Å; D211-R254 VanDerWaalsContact O-CA 3.31Å; D211-R254 WeakPolarHBondContact O-CA 3.48Å; D211-T255 HydrophobicContact CB-CG2 4.17Å; D211-T255 PolarHBondContact N-OG1 3.27Å; D211-T255 VanDerWaalsContact N-OG1 3.11Å; D211-T255 PolarHBondContact O-N 2.84Å
212E97.9Very high96.2Very high77 Ų7753.9 Ų53.936%0.3627%0.271SS..EExtended strand (participates in β ladder)trans-86123.6-180-161.4162.3-81.200111.4G210 F214 V252 F253 R254G210-E212 PolarHBondContact O-N 3.19Å; E212-F214 HydrophobicContact CG-CE2 4.26Å; E212-V252 HydrophobicContact CG-CG1 3.81Å; E212-F253 WeakPolarHBondContact CA-O 3.18Å; E212-R254 HydrophobicContact CB-CG 4.46Å; E212-R254 HydrophobicContact CG-CG 4.46Å; E212-R254 IonicContact OE1-CZ 3.47Å; E212-R254 VanDerWaalsContact OE1-CZ 3.26Å; E212-R254 IonicContact OE1-NE 3.94Å; E212-R254 PolarHBondContact OE1-NE 2.85Å; E212-R254 IonicContact OE1-NH2 2.7Å; E212-R254 PolarHBondContact OE1-NH2 2.96Å
213I98.2Very high96.3Very high1 Ų154.2 Ų54.21%0.00528%0.277CS..EExtended strand (participates in β ladder)trans-119.6135.2-174.9-65-176.9000109.5V200 N201 V252 F253 T255 F287V200-I213 HydrophobicContact CG1-CG2 3.39Å; N201-I213 WeakPolarHBondContact OD1-CA 3.24Å; I213-V252 WeakPolarHBondContact O-CA 3.49Å; I213-F253 HydrophobicContact CB-CD1 4.32Å; I213-F253 HydrophobicContact CB-CE1 3.79Å; I213-F253 HydrophobicContact CB-CE2 4.02Å; I213-F253 HydrophobicContact CB-CZ 3.61Å; I213-F253 HydrophobicContact CD1-CE2 4.03Å; I213-F253 HydrophobicContact CD1-CZ 3.87Å; I213-F253 HydrophobicContact CG1-CE2 4.43Å; I213-F253 HydrophobicContact CG1-CZ 4.28Å; I213-F253 HydrophobicContact CG2-CD1 4.39Å; I213-F253 HydrophobicContact CG2-CE1 3.52Å; I213-F253 HydrophobicContact CG2-CE2 4.42Å; I213-F253 HydrophobicContact CG2-CZ 3.53Å; I213-F253 PolarHBondContact N-O 3.46Å; I213-F253 PolarHBondContact O-N 3.45Å; I213-T255 HydrophobicContact CD1-CG2 3.36Å; I213-T255 HydrophobicContact CG1-CG2 4.12Å; I213-F287 HydrophobicContact CD1-CD2 4.22Å; I213-F287 HydrophobicContact CD1-CE2 3.43Å; I213-F287 VanDerWaalsContact CD1-CE2 3.43Å; I213-F287 HydrophobicContact CD1-CZ 3.96Å
214F98.4Very high96.4Very high104 Ų10450 Ų5046%0.45625%0.254SS..EExtended strand (participates in β ladder)trans-106.8111.6173.4-70.9-113.3000107.4V200 N201 E212 V252V200-F214 WeakPolarHBondContact CA-O 3.5Å; N201-F214 HydrophobicContact CB-CB 4.12Å; N201-F214 PolarHBondContact N-O 3.24Å; N201-F214 PolarHBondContact OD1-N 3.42Å; N201-F214 PolarHBondContact OD1-O 3.02Å; E212-F214 HydrophobicContact CG-CE2 4.26Å; F214-V252 HydrophobicContact CD1-CG2 3.67Å; F214-V252 HydrophobicContact CD2-CG1 4.36Å; F214-V252 HydrophobicContact CE1-CG1 4.36Å; F214-V252 HydrophobicContact CE1-CG2 3.61Å; F214-V252 HydrophobicContact CE2-CG1 4.05Å; F214-V252 HydrophobicContact CG-CG2 4.24Å; F214-V252 HydrophobicContact CZ-CG1 4.05Å; F214-V252 HydrophobicContact CZ-CG2 4.13Å
215L98.4Very high96.5Very high0 Ų049 Ų490%025%0.246CC..EExtended strand (participates in β ladder)trans-111.2127.5-178.5-178.8156.6000109I197 V200 C217 A250 I251 F253 M271 L273I197-L215 HydrophobicContact CD1-CD1 4.07Å; I197-L215 HydrophobicContact CG1-CD1 4.17Å; I197-L215 HydrophobicContact CG1-CD2 4.45Å; I197-L215 HydrophobicContact CG2-CD1 4.28Å; I197-L215 HydrophobicContact CG2-CG 4.17Å; V200-L215 HydrophobicContact CG2-CD1 4.44Å; V200-L215 HydrophobicContact CG2-CG 4.29Å; L215-C217 HydrophobicContact CD2-CB 3.82Å; L215-A250 CarbonylContact O-C 3.59Å; L215-A250 WeakPolarHBondContact O-CA 3.43Å; L215-A250 WeakPolarHBondContact O-CB 3.35Å; L215-I251 PolarHBondContact N-O 3.46Å; L215-I251 PolarHBondContact O-N 3.34Å; L215-F253 HydrophobicContact CB-CE1 3.98Å; L215-F253 HydrophobicContact CD1-CE1 3.99Å; L215-M271 HydrophobicContact CD1-CE 4.15Å; L215-L273 HydrophobicContact CD1-CD2 4.49Å; L215-L273 HydrophobicContact CD2-CD1 4.45Å; L215-L273 HydrophobicContact CD2-CD2 4.16Å
216L98.6Very high96.6Very high88 Ų8850.1 Ų50.146%0.46125%0.251SS..EExtended strand (participates in β ladder)trans-99.4134.1172.6-55.3-175.1000109C198 R199 A250C198-L216 WeakPolarHBondContact CA-O 3.25Å; C198-L216 WeakPolarHBondContact CB-O 3.33Å; C198-L216 PolarHBondContact N-O 3.06Å; R199-L216 HydrophobicContact CB-CB 4.35Å; R199-L216 HydrophobicContact CB-CD1 4.3Å; R199-L216 PolarHBondContact N-O 1.83Å; R199-L216 PolarHBondContact O-N 2.99Å; L216-A250 HydrophobicContact CD2-CB 3.68Å
217C97.8Very high96.8Very high9 Ų948.5 Ų48.56%0.06124%0.24CC..EExtended strand (participates in β ladder)trans-140.5167.4-174.560.30000112.2K196 L215 V249 L273K196-C217 VanDerWaalsContact O-CA 3.24Å; K196-C217 WeakPolarHBondContact O-CA 3.45Å; K196-C217 WeakPolarHBondContact O-CB 3.26Å; L215-C217 HydrophobicContact CD2-CB 3.82Å; C217-V249 PolarHBondContact N-O 3.45Å; C217-L273 HydrophobicContact CB-CD1 3.74Å
218D96.3Very high97Very high80 Ų8051.6 Ų51.643%0.42825%0.251SS..SBendtrans-69.2175.2161.9-71.7-22000110.5K196 V220K196-D218 HydrophobicContact CB-CB 4.18Å; K196-D218 WeakPolarHBondContact CB-OD2 3.33Å; K196-D218 WeakPolarHBondContact CD-OD2 3.48Å; K196-D218 PolarHBondContact O-N 3.27Å; D218-V220 PolarHBondContact O-N 2.88Å
219K96.1Very high97.2Very high128 Ų12844.9 Ų44.956%0.55723%0.226SC*.  trans-65119-166.6-73.6-164.8173.5-161.40113.8P190 Q248 V249P190-K219 HydrophobicContact CG-CB 4.5Å; K219-Q248 WeakPolarHBondContact CA-O 3.42Å; K219-V249 HydrophobicContact CG-CG1 4.14Å
220V96.7Very high97.3Very high2 Ų246.5 Ų46.51%0.01223%0.229CC..  trans-115.1156.2177.5-65.20000113.3L195 D218 I225 V245 Q248 L273L195-V220 HydrophobicContact CD2-CG1 4.08Å; D218-V220 PolarHBondContact O-N 2.88Å; V220-I225 HydrophobicContact CB-CB 4.3Å; V220-I225 HydrophobicContact CB-CD1 4.06Å; V220-I225 HydrophobicContact CB-CG1 3.99Å; V220-I225 HydrophobicContact CG1-CD1 3.63Å; V220-I225 HydrophobicContact CG1-CG1 3.96Å; V220-I225 HydrophobicContact CG2-CG1 4.31Å; V220-I225 HydrophobicContact CG2-CG2 4.48Å; V220-V245 HydrophobicContact CG2-CG1 4.06Å; V220-Q248 PolarHBondContact N-O 3.41Å; V220-Q248 VanDerWaalsContact O-CB 3.25Å; V220-Q248 WeakPolarHBondContact O-CB 3.46Å; V220-Q248 WeakPolarHBondContact O-CG 3.42Å; V220-L273 HydrophobicContact CG1-CD1 4.5Å
221Q96.5Very high97.3Very high54 Ų5446.4 Ų46.425%0.25222%0.217SC..  trans-88.1124.1169.3-78.9-173.7-32.500109.7P190 E223 D224 I225P190-Q221 HydrophobicContact CB-CG 4.17Å; Q221-E223 WeakPolarHBondContact CA-OE1 3.4Å; Q221-E223 VanDerWaalsContact CB-OE1 3.3Å; Q221-E223 WeakPolarHBondContact CB-OE1 3.45Å; Q221-E223 PolarHBondContact O-N 3.08Å; Q221-D224 HydrophobicContact CB-CB 4.18Å; Q221-D224 CarbonylContact O-C 3.49Å; Q221-D224 PolarHBondContact O-N 3.13Å; Q221-D224 VanDerWaalsContact O-N 3.1Å; Q221-I225 WeakPolarHBondContact O-CB 3.36Å; Q221-I225 VanDerWaalsContact O-CG2 3.24Å; Q221-I225 WeakPolarHBondContact O-CG2 3.37Å; Q221-I225 PolarHBondContact O-N 3.49Å
222K95.9Very high97.1Very high86 Ų8651 Ų5137%0.37424%0.242SC..THydrogen-bonded Turntrans-66.3-21-173.170.3-178.9-163.3-560113.2Q242 V245K222-Q242 HydrophobicContact CD-CB 4.29Å; K222-Q242 HydrophobicContact CG-CB 4.33Å; K222-V245 HydrophobicContact CB-CB 3.71Å; K222-V245 HydrophobicContact CB-CG1 3.8Å; K222-V245 HydrophobicContact CB-CG2 4.02Å
223E96.4Very high96.8Very high99 Ų9953.1 Ų53.146%0.46326%0.264SS..THydrogen-bonded Turntrans-92.6-12.2179.148.7-78.3118.600113.3Q221Q221-E223 WeakPolarHBondContact CA-OE1 3.4Å; Q221-E223 VanDerWaalsContact CB-OE1 3.3Å; Q221-E223 WeakPolarHBondContact CB-OE1 3.45Å; Q221-E223 PolarHBondContact O-N 3.08Å
224D97Very high96.6Very high21 Ų2155 Ų5511%0.11227%0.271CS..SBendtrans-13850.8-172.6-17234000110.7Q221 R275 P276 S277Q221-D224 HydrophobicContact CB-CB 4.18Å; Q221-D224 CarbonylContact O-C 3.49Å; Q221-D224 PolarHBondContact O-N 3.13Å; Q221-D224 VanDerWaalsContact O-N 3.1Å; D224-R275 VanDerWaalsContact CG-CG 3.46Å; D224-R275 WeakPolarHBondContact O-CG 3.15Å; D224-R275 VanDerWaalsContact OD2-CD 3.3Å; D224-R275 WeakPolarHBondContact OD2-CD 3.35Å; D224-R275 WeakPolarHBondContact OD2-CG 3.31Å; D224-P276 VanDerWaalsContact C-CD 3.49Å; D224-P276 VanDerWaalsContact OD1-CD 3.24Å; D224-P276 WeakPolarHBondContact OD1-CD 3.46Å; D224-S277 WeakPolarHBondContact OD1-CB 3.38Å; D224-S277 PolarHBondContact OD1-N 3.12Å; D224-S277 PolarHBondContact OD1-OG 2.68Å; D224-S277 VanDerWaalsContact OD2-CB 3.24Å; D224-S277 WeakPolarHBondContact OD2-CB 3.44Å; D224-S277 PolarHBondContact OD2-OG 3.02Å
225I98.1Very high96.5Very high13 Ų1353.5 Ų53.57%0.06727%0.266CS..  trans-146.3138.8177.4-16566.3000110.9L195 V220 Q221 F240 V245 I251 L273L195-I225 HydrophobicContact CD1-CD1 4.44Å; L195-I225 HydrophobicContact CD2-CD1 3.95Å; V220-I225 HydrophobicContact CB-CB 4.3Å; V220-I225 HydrophobicContact CB-CD1 4.06Å; V220-I225 HydrophobicContact CB-CG1 3.99Å; V220-I225 HydrophobicContact CG1-CD1 3.63Å; V220-I225 HydrophobicContact CG1-CG1 3.96Å; V220-I225 HydrophobicContact CG2-CG1 4.31Å; V220-I225 HydrophobicContact CG2-CG2 4.48Å; Q221-I225 WeakPolarHBondContact O-CB 3.36Å; Q221-I225 VanDerWaalsContact O-CG2 3.24Å; Q221-I225 WeakPolarHBondContact O-CG2 3.37Å; Q221-I225 PolarHBondContact O-N 3.49Å; I225-F240 HydrophobicContact CG2-CE2 4.2Å; I225-F240 HydrophobicContact CG2-CZ 4.22Å; I225-F240 WeakPolarHBondContact O-CZ 3.36Å; I225-V245 HydrophobicContact CG2-CG2 4.34Å; I225-I251 HydrophobicContact CG1-CD1 3.91Å; I225-I251 HydrophobicContact CG2-CD1 4.26Å; I225-L273 HydrophobicContact CD1-CB 4.18Å; I225-L273 HydrophobicContact CD1-CD2 4.23Å; I225-L273 HydrophobicContact CG1-CD2 4.24Å
226E97.9Very high96.5Very high26 Ų2654 Ų5412%0.12127%0.27CS..EExtended strand (participates in β ladder)trans-137.5151.8169.765.6177.2-135.200111.3K237 R274 P276E226-K237 WeakPolarHBondContact OE1-CE 3.16Å; E226-K237 IonicContact OE1-NZ 3.17Å; E226-K237 PolarHBondContact OE1-NZ 3.43Å; E226-K237 WeakPolarHBondContact OE2-CE 3.26Å; E226-K237 IonicContact OE2-NZ 3.53Å; E226-K237 PolarHBondContact OE2-NZ 3.49Å; E226-R274 HydrophobicContact CG-CB 3.84Å; E226-R274 HydrophobicContact CG-CG 4.02Å; E226-R274 PolarHBondContact N-O 2.82Å; E226-R274 PolarHBondContact O-N 3.09Å; E226-R274 VanDerWaalsContact OE1-CD 3.27Å; E226-R274 WeakPolarHBondContact OE1-CD 3.49Å; E226-R274 IonicContact OE1-CZ 2.72Å; E226-R274 VanDerWaalsContact OE1-CZ 3.23Å; E226-R274 IonicContact OE1-NE 3.88Å; E226-R274 PolarHBondContact OE1-NE 3.43Å; E226-R274 IonicContact OE1-NH1 3.24Å; E226-R274 PolarHBondContact OE1-NH1 3.42Å; E226-P276 HydrophobicContact CG-CG 4.27Å
227V98.3Very high96.4Very high0 Ų054 Ų540%027%0.267CS..EExtended strand (participates in β ladder)trans-98.6116.1172.2-175.80000108.1F229 K237 G238 F240 I251 F253 M271 L273V227-F229 HydrophobicContact CG1-CD2 4.43Å; V227-F229 HydrophobicContact CG1-CE2 3.84Å; V227-F229 HydrophobicContact CG1-CZ 4.49Å; V227-K237 CarbonylContact O-C 3.36Å; V227-K237 WeakPolarHBondContact O-CA 3.27Å; V227-G238 PolarHBondContact O-N 3.43Å; V227-F240 HydrophobicContact CB-CE1 4.47Å; V227-F240 HydrophobicContact CG2-CE1 3.97Å; V227-I251 HydrophobicContact CG2-CD1 4.36Å; V227-F253 HydrophobicContact CB-CE1 4.49Å; V227-F253 HydrophobicContact CG1-CE1 4.04Å; V227-F253 HydrophobicContact CG1-CE2 4.12Å; V227-F253 HydrophobicContact CG1-CZ 3.8Å; V227-F253 HydrophobicContact CG2-CD1 3.9Å; V227-F253 HydrophobicContact CG2-CE1 4.05Å; V227-F253 HydrophobicContact CG2-CG 4.27Å; V227-M271 HydrophobicContact CG1-CG 3.84Å; V227-M271 HydrophobicContact CG1-SD 4.08Å; V227-L273 HydrophobicContact CG2-CD2 4.12Å
228R97.8Very high96.4Very high64 Ų6454 Ų5424%0.24227%0.268CS..EExtended strand (participates in β ladder)trans-106.8118.5-175-173.5-172.5-173.1-129.90.8110.5E235 M271 Q272R228-E235 HydrophobicContact CG-CG 4.03Å; R228-E235 IonicContact CZ-OE2 3.7Å; R228-E235 IonicContact NE-OE1 2.6Å; R228-E235 IonicContact NE-OE2 2.78Å; R228-E235 PolarHBondContact NE-OE2 3.19Å; R228-E235 IonicContact NH2-OE2 3.94Å; R228-E235 PolarHBondContact NH2-OE2 3.29Å; R228-M271 WeakPolarHBondContact O-CA 3.38Å; R228-Q272 HydrophobicContact CB-CG 4.17Å; R228-Q272 PolarHBondContact N-O 3.06Å; R228-Q272 PolarHBondContact O-N 3.21Å
229F98.1Very high96.5Very high0 Ų055.1 Ų55.10%028%0.278CS..EExtended strand (participates in β ladder)trans-93.7137.9166.2-66.8-100.8000108.9V227 W234 E235 G236 F253 T255 P256 V269 K270 M271 F287V227-F229 HydrophobicContact CG1-CD2 4.43Å; V227-F229 HydrophobicContact CG1-CE2 3.84Å; V227-F229 HydrophobicContact CG1-CZ 4.49Å; F229-W234 HydrophobicContact CB-CH2 3.93Å; F229-W234 HydrophobicContact CB-CZ3 3.97Å; F229-E235 WeakPolarHBondContact O-CA 3.5Å; F229-G236 WeakPolarHBondContact CA-O 3.22Å; F229-G236 PolarHBondContact N-O 3.23Å; F229-G236 PolarHBondContact O-N 3.18Å; F229-G236 VanDerWaalsContact O-O 3.1Å; F229-F253 HydrophobicContact CE2-CD2 4.48Å; F229-F253 AromaticContact CE2-CE2 3.59Å; F229-F253 HydrophobicContact CE2-CE2 3.59Å; F229-F253 HydrophobicContact CE2-CZ 4.14Å; F229-F253 AromaticContact CZ-CE2 3.61Å; F229-F253 HydrophobicContact CZ-CE2 3.61Å; F229-F253 AromaticContact CZ-CZ 3.91Å; F229-F253 HydrophobicContact CZ-CZ 3.91Å; F229-T255 HydrophobicContact CZ-CG2 4.18Å; F229-P256 HydrophobicContact CB-CG 4.08Å; F229-P256 VanDerWaalsContact CD2-CD 3.46Å; F229-P256 HydrophobicContact CD2-CG 3.62Å; F229-P256 HydrophobicContact CE2-CG 4.24Å; F229-P256 HydrophobicContact CG-CG 3.88Å; F229-V269 HydrophobicContact CD1-CG2 4.05Å; F229-K270 CarbonylContact C-O 3.59Å; F229-K270 VanDerWaalsContact CA-O 3.28Å; F229-K270 WeakPolarHBondContact CA-O 3.49Å; F229-M271 HydrophobicContact CD1-CB 4.04Å; F229-M271 HydrophobicContact CD1-CG 4.16Å; F229-M271 HydrophobicContact CD2-CG 4.47Å; F229-M271 HydrophobicContact CE1-CB 3.95Å; F229-M271 HydrophobicContact CE1-CG 3.78Å; F229-M271 HydrophobicContact CE1-SD 3.65Å; F229-M271 HydrophobicContact CE2-CG 4.11Å; F229-M271 HydrophobicContact CE2-SD 4.11Å; F229-M271 HydrophobicContact CG-CG 4.49Å; F229-M271 HydrophobicContact CZ-CB 4.43Å; F229-M271 HydrophobicContact CZ-CG 3.75Å; F229-M271 HydrophobicContact CZ-SD 3.35Å; F229-M271 WeakPolarHBondContact CZ-SD 3.42Å; F229-F287 HydrophobicContact CD1-CB 4.44Å; F229-F287 HydrophobicContact CD1-CD1 4.25Å; F229-F287 HydrophobicContact CD1-CG 4.38Å; F229-F287 HydrophobicContact CE1-CB 4.07Å; F229-F287 AromaticContact CE1-CD1 3.78Å; F229-F287 HydrophobicContact CE1-CD1 3.78Å; F229-F287 HydrophobicContact CE1-CD2 4.14Å; F229-F287 HydrophobicContact CE1-CE1 4.26Å; F229-F287 AromaticContact CE1-CG 3.71Å; F229-F287 HydrophobicContact CE1-CG 3.71Å
230F97.1Very high96.6Very high49 Ų4951.5 Ų51.522%0.21526%0.262CS..EExtended strand (participates in β ladder)trans-152.8148.8178.866-74.5000113.2W234 K270 Q272 P284F230-W234 VanDerWaalsContact CA-O 3.22Å; F230-W234 WeakPolarHBondContact CA-O 3.45Å; F230-K270 HydrophobicContact CD1-CB 3.88Å; F230-K270 HydrophobicContact CD2-CB 4.3Å; F230-K270 HydrophobicContact CE1-CB 3.37Å; F230-K270 HydrophobicContact CE1-CG 4.49Å; F230-K270 HydrophobicContact CE2-CB 3.87Å; F230-K270 HydrophobicContact CE2-CG 4.31Å; F230-K270 HydrophobicContact CG-CB 4.31Å; F230-K270 HydrophobicContact CZ-CB 3.39Å; F230-K270 HydrophobicContact CZ-CG 4.06Å; F230-K270 PolarHBondContact N-O 2.96Å; F230-K270 PolarHBondContact O-N 3.23Å; F230-Q272 HydrophobicContact CD1-CG 4.38Å; F230-Q272 HydrophobicContact CE1-CB 4.4Å; F230-Q272 HydrophobicContact CE1-CG 3.8Å; F230-P284 HydrophobicContact CE1-CB 4.27Å; F230-P284 HydrophobicContact CZ-CB 4.02Å
231Q95.6Very high96.7Very high40 Ų4054.1 Ų54.119%0.18728%0.28CS..EExtended strand (participates in β ladder)trans-156.6127.3172-171.3-167.99.100108.6S233 W234 Y258 V269Q231-S233 PolarHBondContact O-N 3.18Å; Q231-S233 VanDerWaalsContact O-N 3.08Å; Q231-W234 HydrophobicContact CB-CE3 4.41Å; Q231-W234 PolarHBondContact N-O 3.14Å; Q231-W234 WeakPolarHBondContact O-CB 3.28Å; Q231-W234 PolarHBondContact O-N 3.28Å; Q231-Y258 VanDerWaalsContact OE1-CE2 3.3Å; Q231-Y258 PolarHBondContact OE1-OH 3.42Å; Q231-V269 HydrophobicContact CB-CB 4.21Å; Q231-V269 HydrophobicContact CB-CG1 3.93Å; Q231-V269 HydrophobicContact CG-CG1 4.46Å
232D91.2Very high96.7Very high131 Ų13156.5 Ų56.570%0.70129%0.292SS*.THydrogen-bonded Turntrans52.3-111.8-176.6-37-45.6000111.6R259D232-R259 IonicContact OD2-CZ 3Å; D232-R259 IonicContact OD2-NH1 2.66Å; D232-R259 PolarHBondContact OD2-NH1 3Å; D232-R259 IonicContact OD2-NH2 2.72Å
233S91.9Very high96.8Very high120 Ų12056.7 Ų56.784%0.83931%0.309SS*.THydrogen-bonded Turntrans-97.3-2175.755.70000114.6Q231Q231-S233 PolarHBondContact O-N 3.18Å; Q231-S233 VanDerWaalsContact O-N 3.08Å
234W94.8Very high96.9Very high40 Ų4055 Ų5515%0.15230%0.303CS..EExtended strand (participates in β ladder)trans-90.2134.9179.1176.473.9000111.7F229 F230 Q231 P256 P257 Y258 R259 V269 F289F229-W234 HydrophobicContact CB-CH2 3.93Å; F229-W234 HydrophobicContact CB-CZ3 3.97Å; F230-W234 VanDerWaalsContact CA-O 3.22Å; F230-W234 WeakPolarHBondContact CA-O 3.45Å; Q231-W234 HydrophobicContact CB-CE3 4.41Å; Q231-W234 PolarHBondContact N-O 3.14Å; Q231-W234 WeakPolarHBondContact O-CB 3.28Å; Q231-W234 PolarHBondContact O-N 3.28Å; W234-P256 HydrophobicContact CH2-CG 4.25Å; W234-P257 WeakPolarHBondContact CZ2-O 3.24Å; W234-Y258 HydrophobicContact CD2-CD2 4.39Å; W234-Y258 HydrophobicContact CD2-CE2 4.47Å; W234-Y258 HydrophobicContact CE3-CD2 4.05Å; W234-Y258 HydrophobicContact CE3-CE2 4.04Å; W234-Y258 HydrophobicContact CH2-CD2 4.01Å; W234-Y258 HydrophobicContact CZ2-CD2 4.33Å; W234-Y258 AromaticContact CZ3-CD2 3.85Å; W234-Y258 HydrophobicContact CZ3-CD2 3.85Å; W234-Y258 HydrophobicContact CZ3-CE2 4.2Å; W234-R259 HydrophobicContact CG-CB 4.09Å; W234-V269 HydrophobicContact CZ3-CG1 4.2Å; W234-F289 AromaticContact CH2-CE2 3.78Å; W234-F289 HydrophobicContact CH2-CE2 3.78Å; W234-F289 HydrophobicContact CH2-CZ 4.22Å; W234-F289 HydrophobicContact CZ3-CE2 4.09Å
235E96.7Very high96.9Very high74 Ų7454.4 Ų54.435%0.34630%0.301SS..EExtended strand (participates in β ladder)trans-126.2132.9169.2175.1170.7150.600109.1R228 F229 K237 R274R228-E235 HydrophobicContact CG-CG 4.03Å; R228-E235 IonicContact CZ-OE2 3.7Å; R228-E235 IonicContact NE-OE1 2.6Å; R228-E235 IonicContact NE-OE2 2.78Å; R228-E235 PolarHBondContact NE-OE2 3.19Å; R228-E235 IonicContact NH2-OE2 3.94Å; R228-E235 PolarHBondContact NH2-OE2 3.29Å; F229-E235 WeakPolarHBondContact O-CA 3.5Å; E235-K237 VanDerWaalsContact OE1-CE 3.28Å; E235-K237 WeakPolarHBondContact OE1-CE 3.39Å; E235-R274 IonicContact OE1-NH1 3.07Å; E235-R274 PolarHBondContact OE1-NH1 2.99Å; E235-R274 IonicContact OE2-NH1 2.69Å
236G97.1Very high96.9Very high9 Ų959.2 Ų59.29%0.09332%0.322CS..EExtended strand (participates in β ladder)trans-128.4151.4168.400000110F229F229-G236 WeakPolarHBondContact CA-O 3.22Å; F229-G236 PolarHBondContact N-O 3.23Å; F229-G236 PolarHBondContact O-N 3.18Å; F229-G236 VanDerWaalsContact O-O 3.1Å
237K97.8Very high96.9Very high90 Ų9067.8 Ų67.839%0.39135%0.354SS..EExtended strand (participates in β ladder)trans-114.1137.3178.8-61.9-169.9-178.1-169.30110.9E226 V227 E235 T239 P256E226-K237 WeakPolarHBondContact OE1-CE 3.16Å; E226-K237 IonicContact OE1-NZ 3.17Å; E226-K237 PolarHBondContact OE1-NZ 3.43Å; E226-K237 WeakPolarHBondContact OE2-CE 3.26Å; E226-K237 IonicContact OE2-NZ 3.53Å; E226-K237 PolarHBondContact OE2-NZ 3.49Å; V227-K237 CarbonylContact O-C 3.36Å; V227-K237 WeakPolarHBondContact O-CA 3.27Å; E235-K237 VanDerWaalsContact OE1-CE 3.28Å; E235-K237 WeakPolarHBondContact OE1-CE 3.39Å; K237-T239 PolarHBondContact O-N 3.49Å; K237-P256 WeakPolarHBondContact O-CB 3.3Å
238G97.8Very high96.8Very high7 Ų771.4 Ų71.47%0.07237%0.371CS..  trans-64.6130.4169.200000109.9V227 F240 R254V227-G238 PolarHBondContact O-N 3.43Å; G238-F240 WeakPolarHBondContact O-CD1 3.46Å; G238-R254 CarbonylContact C-O 3.51Å; G238-R254 WeakPolarHBondContact CA-O 3.11Å
239T98.1Very high96.8Very high105 Ų10571.3 Ų71.364%0.64438%0.377SS*.BIsolated β-bridgetrans-91.7119.3-177.1-58.10000110K237 R254K237-T239 PolarHBondContact O-N 3.49Å; T239-R254 PolarHBondContact N-O 3.1Å; T239-R254 PolarHBondContact O-N 2.79Å
240F98.3Very high96.8Very high52 Ų5272 Ų7223%0.22838%0.383CS..  trans-156.1168.3175.663.4-79.2000110.8I225 V227 G238 D244 V245 I251 V252 F253I225-F240 HydrophobicContact CG2-CE2 4.2Å; I225-F240 HydrophobicContact CG2-CZ 4.22Å; I225-F240 WeakPolarHBondContact O-CZ 3.36Å; V227-F240 HydrophobicContact CB-CE1 4.47Å; V227-F240 HydrophobicContact CG2-CE1 3.97Å; G238-F240 WeakPolarHBondContact O-CD1 3.46Å; F240-D244 HydrophobicContact CB-CB 4.15Å; F240-V245 HydrophobicContact CD2-CG2 3.95Å; F240-V245 HydrophobicContact CE2-CG2 3.66Å; F240-I251 HydrophobicContact CD1-CG2 4.18Å; F240-I251 HydrophobicContact CD2-CG2 3.73Å; F240-I251 HydrophobicContact CE1-CG2 4.23Å; F240-I251 HydrophobicContact CE2-CG2 3.8Å; F240-I251 HydrophobicContact CG-CG2 3.94Å; F240-I251 HydrophobicContact CZ-CD1 4.48Å; F240-I251 HydrophobicContact CZ-CG2 4.05Å; F240-V252 VanDerWaalsContact CB-O 3.23Å; F240-V252 WeakPolarHBondContact CB-O 3.27Å; F240-F253 HydrophobicContact CB-CB 3.72Å; F240-F253 HydrophobicContact CD1-CB 3.65Å; F240-F253 HydrophobicContact CG-CB 3.97Å
241S97.7Very high96.9Very high56 Ų5669.7 Ų69.739%0.39237%0.373SS..  trans-110.2168.6174.879.30000111.5A243 D244S241-A243 PolarHBondContact O-N 2.88Å; S241-A243 VanDerWaalsContact O-N 3.11Å; S241-A243 PolarHBondContact OG-N 2.89Å; S241-D244 WeakPolarHBondContact CA-OD2 3.31Å; S241-D244 VanDerWaalsContact CB-OD2 3.27Å; S241-D244 WeakPolarHBondContact CB-OD2 3.15Å; S241-D244 PolarHBondContact N-OD2 3.33Å; S241-D244 PolarHBondContact O-N 2.78Å; S241-D244 PolarHBondContact OG-OD2 2.79Å
242Q97.3Very high97Very high105 Ų10569.3 Ų69.349%0.49137%0.373SS..THydrogen-bonded Turntrans-60.9-20.7175.5-59.7-169.7-0.600113.7K222K222-Q242 HydrophobicContact CD-CB 4.29Å; K222-Q242 HydrophobicContact CG-CB 4.33Å
243A97.7Very high97.4Very high89 Ų8963.2 Ų63.274%0.73634%0.34SS*.THydrogen-bonded Turntrans-75.8-24.7177.200000112.7S241 V245S241-A243 PolarHBondContact O-N 2.88Å; S241-A243 VanDerWaalsContact O-N 3.11Å; S241-A243 PolarHBondContact OG-N 2.89Å; A243-V245 VanDerWaalsContact C-N 3.27Å; A243-V245 PolarHBondContact O-N 2.93Å
244D98.2Very high97.7Very high63 Ų6363.9 Ų63.934%0.33732%0.324SS..SBendtrans-82.5-6.3-178.7-51.5-64.3000112.7F240 S241 H246 V252F240-D244 HydrophobicContact CB-CB 4.15Å; S241-D244 WeakPolarHBondContact CA-OD2 3.31Å; S241-D244 VanDerWaalsContact CB-OD2 3.27Å; S241-D244 WeakPolarHBondContact CB-OD2 3.15Å; S241-D244 PolarHBondContact N-OD2 3.33Å; S241-D244 PolarHBondContact O-N 2.78Å; S241-D244 PolarHBondContact OG-OD2 2.79Å; D244-H246 PolarHBondContact O-N 2.7Å; D244-V252 HydrophobicContact CB-CB 4.33Å; D244-V252 VanDerWaalsContact CB-O 3.26Å; D244-V252 WeakPolarHBondContact CB-O 3.02Å; D244-V252 PolarHBondContact O-N 3.49Å
245V98.3Very high97.8Very high10 Ų1062.2 Ų62.26%0.06132%0.318CS..SBendtrans-84.680.1173.3-174.20000109.6V220 K222 I225 F240 A243 R247 A250 I251V220-V245 HydrophobicContact CG2-CG1 4.06Å; K222-V245 HydrophobicContact CB-CB 3.71Å; K222-V245 HydrophobicContact CB-CG1 3.8Å; K222-V245 HydrophobicContact CB-CG2 4.02Å; I225-V245 HydrophobicContact CG2-CG2 4.34Å; F240-V245 HydrophobicContact CD2-CG2 3.95Å; F240-V245 HydrophobicContact CE2-CG2 3.66Å; A243-V245 VanDerWaalsContact C-N 3.27Å; A243-V245 PolarHBondContact O-N 2.93Å; V245-R247 PolarHBondContact O-N 3.36Å; V245-R247 VanDerWaalsContact O-N 3.14Å; V245-A250 CarbonylContact C-O 3.54Å; V245-A250 WeakPolarHBondContact CA-O 3.3Å; V245-I251 HydrophobicContact CG1-CG1 4.42Å; V245-I251 HydrophobicContact CG2-CG1 4.45Å
246H98Very high97.9Very high113 Ų11359 Ų5952%0.52330%0.304SS..G310 helixtrans-64.6113.7-175.8-171.989.5000112.5D244 Q248 V249 A250D244-H246 PolarHBondContact O-N 2.7Å; H246-Q248 PolarHBondContact O-N 3.02Å; H246-V249 PolarHBondContact O-N 3.41Å; H246-V249 VanDerWaalsContact O-N 3.11Å; H246-A250 HydrophobicContact CB-CB 4.36Å; H246-A250 PolarHBondContact N-O 3.35Å; H246-A250 PolarHBondContact O-N 2.57Å
247R96.8Very high97.8Very high206 Ų20662.3 Ų62.378%0.77732%0.324SS*.G310 helixtrans5032.2172.8-64.5-176.4174.9-152.2-1.8114.8V245 V249V245-R247 PolarHBondContact O-N 3.36Å; V245-R247 VanDerWaalsContact O-N 3.14Å; R247-V249 HydrophobicContact CB-CG2 4.36Å; R247-V249 PolarHBondContact O-N 2.87Å; R247-V249 VanDerWaalsContact O-N 3.16Å
248Q96.8Very high97.7Very high77 Ų7758.5 Ų58.536%0.3631%0.307SS..G310 helixtrans62.77.6-178.1-59.2-179-47.600116K219 V220 H246K219-Q248 WeakPolarHBondContact CA-O 3.42Å; V220-Q248 PolarHBondContact N-O 3.41Å; V220-Q248 VanDerWaalsContact O-CB 3.25Å; V220-Q248 WeakPolarHBondContact O-CB 3.46Å; V220-Q248 WeakPolarHBondContact O-CG 3.42Å; H246-Q248 PolarHBondContact O-N 3.02Å
249V97.8Very high97.3Very high62 Ų6264.2 Ų64.238%0.37633%0.327SS..THydrogen-bonded Turntrans-128.8-2.7-172.9-63.70000114.1C217 K219 H246 R247C217-V249 PolarHBondContact N-O 3.45Å; K219-V249 HydrophobicContact CG-CG1 4.14Å; H246-V249 PolarHBondContact O-N 3.41Å; H246-V249 VanDerWaalsContact O-N 3.11Å; R247-V249 HydrophobicContact CB-CG2 4.36Å; R247-V249 PolarHBondContact O-N 2.87Å; R247-V249 VanDerWaalsContact O-N 3.16Å
250A98.3Very high96.9Very high15 Ų1562.9 Ų62.912%0.12432%0.316CS..EExtended strand (participates in β ladder)trans-144.7154.4169.600000110.6L215 L216 V245 H246L215-A250 CarbonylContact O-C 3.59Å; L215-A250 WeakPolarHBondContact O-CA 3.43Å; L215-A250 WeakPolarHBondContact O-CB 3.35Å; L216-A250 HydrophobicContact CD2-CB 3.68Å; V245-A250 CarbonylContact C-O 3.54Å; V245-A250 WeakPolarHBondContact CA-O 3.3Å; H246-A250 HydrophobicContact CB-CB 4.36Å; H246-A250 PolarHBondContact N-O 3.35Å; H246-A250 PolarHBondContact O-N 2.57Å
251I98.6Very high96.2Very high0 Ų063.3 Ų63.30%032%0.322CS..EExtended strand (participates in β ladder)trans-129.1125.7174.4-52.3179.4000107.6L215 I225 V227 F240 V245 F253 L273L215-I251 PolarHBondContact N-O 3.46Å; L215-I251 PolarHBondContact O-N 3.34Å; I225-I251 HydrophobicContact CG1-CD1 3.91Å; I225-I251 HydrophobicContact CG2-CD1 4.26Å; V227-I251 HydrophobicContact CG2-CD1 4.36Å; F240-I251 HydrophobicContact CD1-CG2 4.18Å; F240-I251 HydrophobicContact CD2-CG2 3.73Å; F240-I251 HydrophobicContact CE1-CG2 4.23Å; F240-I251 HydrophobicContact CE2-CG2 3.8Å; F240-I251 HydrophobicContact CG-CG2 3.94Å; F240-I251 HydrophobicContact CZ-CD1 4.48Å; F240-I251 HydrophobicContact CZ-CG2 4.05Å; V245-I251 HydrophobicContact CG1-CG1 4.42Å; V245-I251 HydrophobicContact CG2-CG1 4.45Å; I251-F253 HydrophobicContact CG2-CB 4.32Å; I251-F253 HydrophobicContact CG2-CD1 4.26Å; I251-L273 HydrophobicContact CD1-CD2 3.79Å
252V98.6Very high95.7Very high31 Ų3166.8 Ų66.819%0.18834%0.337CS..EExtended strand (participates in β ladder)trans-94.4129163-172.60000107.7E212 I213 F214 F240 D244E212-V252 HydrophobicContact CG-CG1 3.81Å; I213-V252 WeakPolarHBondContact O-CA 3.49Å; F214-V252 HydrophobicContact CD1-CG2 3.67Å; F214-V252 HydrophobicContact CD2-CG1 4.36Å; F214-V252 HydrophobicContact CE1-CG1 4.36Å; F214-V252 HydrophobicContact CE1-CG2 3.61Å; F214-V252 HydrophobicContact CE2-CG1 4.05Å; F214-V252 HydrophobicContact CG-CG2 4.24Å; F214-V252 HydrophobicContact CZ-CG1 4.05Å; F214-V252 HydrophobicContact CZ-CG2 4.13Å; F240-V252 VanDerWaalsContact CB-O 3.23Å; F240-V252 WeakPolarHBondContact CB-O 3.27Å; D244-V252 HydrophobicContact CB-CB 4.33Å; D244-V252 VanDerWaalsContact CB-O 3.26Å; D244-V252 WeakPolarHBondContact CB-O 3.02Å; D244-V252 PolarHBondContact O-N 3.49Å
253F98.6Very high95.2Very high3 Ų362.8 Ų62.81%0.01332%0.318CS..EExtended strand (participates in β ladder)trans-150.4165179.972.9-89.8000112E212 I213 L215 V227 F229 F240 I251 M271E212-F253 WeakPolarHBondContact CA-O 3.18Å; I213-F253 HydrophobicContact CB-CD1 4.32Å; I213-F253 HydrophobicContact CB-CE1 3.79Å; I213-F253 HydrophobicContact CB-CE2 4.02Å; I213-F253 HydrophobicContact CB-CZ 3.61Å; I213-F253 HydrophobicContact CD1-CE2 4.03Å; I213-F253 HydrophobicContact CD1-CZ 3.87Å; I213-F253 HydrophobicContact CG1-CE2 4.43Å; I213-F253 HydrophobicContact CG1-CZ 4.28Å; I213-F253 HydrophobicContact CG2-CD1 4.39Å; I213-F253 HydrophobicContact CG2-CE1 3.52Å; I213-F253 HydrophobicContact CG2-CE2 4.42Å; I213-F253 HydrophobicContact CG2-CZ 3.53Å; I213-F253 PolarHBondContact N-O 3.46Å; I213-F253 PolarHBondContact O-N 3.45Å; L215-F253 HydrophobicContact CB-CE1 3.98Å; L215-F253 HydrophobicContact CD1-CE1 3.99Å; V227-F253 HydrophobicContact CB-CE1 4.49Å; V227-F253 HydrophobicContact CG1-CE1 4.04Å; V227-F253 HydrophobicContact CG1-CE2 4.12Å; V227-F253 HydrophobicContact CG1-CZ 3.8Å; V227-F253 HydrophobicContact CG2-CD1 3.9Å; V227-F253 HydrophobicContact CG2-CE1 4.05Å; V227-F253 HydrophobicContact CG2-CG 4.27Å; F229-F253 HydrophobicContact CE2-CD2 4.48Å; F229-F253 AromaticContact CE2-CE2 3.59Å; F229-F253 HydrophobicContact CE2-CE2 3.59Å; F229-F253 HydrophobicContact CE2-CZ 4.14Å; F229-F253 AromaticContact CZ-CE2 3.61Å; F229-F253 HydrophobicContact CZ-CE2 3.61Å; F229-F253 AromaticContact CZ-CZ 3.91Å; F229-F253 HydrophobicContact CZ-CZ 3.91Å; F240-F253 HydrophobicContact CB-CB 3.72Å; F240-F253 HydrophobicContact CD1-CB 3.65Å; F240-F253 HydrophobicContact CG-CB 3.97Å; I251-F253 HydrophobicContact CG2-CB 4.32Å; I251-F253 HydrophobicContact CG2-CD1 4.26Å; F253-M271 HydrophobicContact CZ-SD 3.8Å
254R98.4Very high94.8Very high134 Ų13464.1 Ų64.151%0.50632%0.322SS..EExtended strand (participates in β ladder)trans-107.6136.5175.4-65.5-174176.2-161.6-3.1112D211 E212 G238 T239D211-R254 VanDerWaalsContact O-CA 3.31Å; D211-R254 WeakPolarHBondContact O-CA 3.48Å; E212-R254 HydrophobicContact CB-CG 4.46Å; E212-R254 HydrophobicContact CG-CG 4.46Å; E212-R254 IonicContact OE1-CZ 3.47Å; E212-R254 VanDerWaalsContact OE1-CZ 3.26Å; E212-R254 IonicContact OE1-NE 3.94Å; E212-R254 PolarHBondContact OE1-NE 2.85Å; E212-R254 IonicContact OE1-NH2 2.7Å; E212-R254 PolarHBondContact OE1-NH2 2.96Å; G238-R254 CarbonylContact C-O 3.51Å; G238-R254 WeakPolarHBondContact CA-O 3.11Å; T239-R254 PolarHBondContact N-O 3.1Å; T239-R254 PolarHBondContact O-N 2.79Å
255T98Very high94.5Very high5 Ų567.5 Ų67.53%0.03134%0.336CS..PPolyproline II helixtrans-61.3142.2-178.350.90000112G209 G210 D211 I213 F229 F287G209-T255 WeakPolarHBondContact CA-O 3.49Å; G209-T255 WeakPolarHBondContact CA-OG1 3.42Å; G210-T255 PolarHBondContact N-O 2.89Å; G210-T255 PolarHBondContact N-OG1 2.86Å; G210-T255 VanDerWaalsContact N-OG1 3.15Å; D211-T255 HydrophobicContact CB-CG2 4.17Å; D211-T255 PolarHBondContact N-OG1 3.27Å; D211-T255 VanDerWaalsContact N-OG1 3.11Å; D211-T255 PolarHBondContact O-N 2.84Å; I213-T255 HydrophobicContact CD1-CG2 3.36Å; I213-T255 HydrophobicContact CG1-CG2 4.12Å; F229-T255 HydrophobicContact CZ-CG2 4.18Å; T255-F287 HydrophobicContact CG2-CE1 4.28Å; T255-F287 HydrophobicContact CG2-CE2 4.41Å; T255-F287 HydrophobicContact CG2-CZ 3.8Å
256P97.3Very high94.3Very high8 Ų870.1 Ų70.15%0.05235%0.353CS..PPolyproline II helixtrans-66.3152.7167.328.4-32.5000110.3G209 F229 W234 K237 F289G209-P256 WeakPolarHBondContact CA-O 3.33Å; F229-P256 HydrophobicContact CB-CG 4.08Å; F229-P256 VanDerWaalsContact CD2-CD 3.46Å; F229-P256 HydrophobicContact CD2-CG 3.62Å; F229-P256 HydrophobicContact CE2-CG 4.24Å; F229-P256 HydrophobicContact CG-CG 3.88Å; W234-P256 HydrophobicContact CH2-CG 4.25Å; K237-P256 WeakPolarHBondContact O-CB 3.3Å; P256-F289 WeakPolarHBondContact O-CE1 3.46Å; P256-F289 WeakPolarHBondContact O-CZ 3.16Å
257P95.7Very high94.2Very high78 Ų7866.4 Ų66.451%0.50634%0.337SS..PPolyproline II helixtrans-62.5140.4162.828.8-34000109.7W234W234-P257 WeakPolarHBondContact CZ2-O 3.24Å
258Y95.1Very high94.1Very high9 Ų963 Ų634%0.03533%0.328CS..PPolyproline II helixtrans-73.6161.1173.2-175.6-109.5000111.1C207 Q231 W234 D260 L263 I267 V269 F289C207-Y258 PolarHBondContact O-N 3.34Å; Q231-Y258 VanDerWaalsContact OE1-CE2 3.3Å; Q231-Y258 PolarHBondContact OE1-OH 3.42Å; W234-Y258 HydrophobicContact CD2-CD2 4.39Å; W234-Y258 HydrophobicContact CD2-CE2 4.47Å; W234-Y258 HydrophobicContact CE3-CD2 4.05Å; W234-Y258 HydrophobicContact CE3-CE2 4.04Å; W234-Y258 HydrophobicContact CH2-CD2 4.01Å; W234-Y258 HydrophobicContact CZ2-CD2 4.33Å; W234-Y258 AromaticContact CZ3-CD2 3.85Å; W234-Y258 HydrophobicContact CZ3-CD2 3.85Å; W234-Y258 HydrophobicContact CZ3-CE2 4.2Å; Y258-D260 WeakPolarHBondContact CD1-O 3.4Å; Y258-D260 PolarHBondContact O-N 2.77Å; Y258-D260 VanDerWaalsContact O-N 3.11Å; Y258-L263 HydrophobicContact CD1-CD1 4.11Å; Y258-L263 HydrophobicContact CD1-CD2 3.87Å; Y258-L263 HydrophobicContact CD1-CG 4.33Å; Y258-L263 HydrophobicContact CE1-CD1 4.45Å; Y258-L263 HydrophobicContact CE1-CD2 3.83Å; Y258-I267 HydrophobicContact CE1-CD1 3.82Å; Y258-I267 HydrophobicContact CE2-CG2 4.43Å; Y258-V269 HydrophobicContact CD2-CG1 4.12Å; Y258-V269 HydrophobicContact CE2-CG1 3.74Å; Y258-F289 AromaticContact CD2-CD2 3.56Å; Y258-F289 HydrophobicContact CD2-CD2 3.56Å; Y258-F289 AromaticContact CD2-CE2 3.82Å; Y258-F289 HydrophobicContact CD2-CE2 3.82Å; Y258-F289 HydrophobicContact CD2-CG 4.38Å; Y258-F289 HydrophobicContact CE2-CD2 4.41Å; Y258-F289 AromaticContact CG-CD2 3.9Å; Y258-F289 HydrophobicContact CG-CD2 3.9Å; Y258-F289 HydrophobicContact CG-CE2 4.3Å; Y258-F289 HydrophobicContact CG-CG 4.29Å
259R90.8Very high94.2Very high128 Ų12859.5 Ų59.548%0.48331%0.312SS..SBendtrans-56.8-28.5-174.466-177.6175.8-160-5.6114.7D232 W234D232-R259 IonicContact OD2-CZ 3Å; D232-R259 IonicContact OD2-NH1 2.66Å; D232-R259 PolarHBondContact OD2-NH1 3Å; D232-R259 IonicContact OD2-NH2 2.72Å; W234-R259 HydrophobicContact CG-CB 4.09Å
260D87.9Confident94.2Very high77 Ų7759.9 Ų59.941%0.41231%0.308SS..  trans-132.2124.9171.8-174.9-0.3000109.2Y258 N262 L263Y258-D260 WeakPolarHBondContact CD1-O 3.4Å; Y258-D260 PolarHBondContact O-N 2.77Å; Y258-D260 VanDerWaalsContact O-N 3.11Å; D260-N262 VanDerWaalsContact C-N 3.31Å; D260-N262 WeakPolarHBondContact OD1-CB 3.27Å; D260-N262 PolarHBondContact OD1-N 3.49Å; D260-N262 PolarHBondContact OD1-ND2 2.92Å; D260-L263 HydrophobicContact CB-CD2 4.5Å; D260-L263 WeakPolarHBondContact O-CD2 3.48Å
261T83.9Confident94.2Very high60 Ų6059.2 Ų59.237%0.36830%0.303SS..SBendtrans-86-2.8-18050.60000113.2C207 R208C207-T261 PolarHBondContact SG-O 2.81Å; R208-T261 HydrophobicContact CG-CG2 4.3Å
262N87Confident94.1Very high129 Ų12959.7 Ų59.769%0.6931%0.305SS*.  trans-101.536.8-175.8-51-83.8000112.7D260 S264D260-N262 VanDerWaalsContact C-N 3.31Å; D260-N262 WeakPolarHBondContact OD1-CB 3.27Å; D260-N262 PolarHBondContact OD1-N 3.49Å; D260-N262 PolarHBondContact OD1-ND2 2.92Å; N262-S264 PolarHBondContact O-N 3.06Å
263L88Confident94.1Very high21 Ų2158.2 Ų58.211%0.1130%0.296CS..  trans-60.1128-177.7-58.4-168.5000112C207 Y258 D260 I267 F289 P291C207-L263 HydrophobicContact CB-CD1 3.68Å; C207-L263 HydrophobicContact CB-CG 3.79Å; Y258-L263 HydrophobicContact CD1-CD1 4.11Å; Y258-L263 HydrophobicContact CD1-CD2 3.87Å; Y258-L263 HydrophobicContact CD1-CG 4.33Å; Y258-L263 HydrophobicContact CE1-CD1 4.45Å; Y258-L263 HydrophobicContact CE1-CD2 3.83Å; D260-L263 HydrophobicContact CB-CD2 4.5Å; D260-L263 WeakPolarHBondContact O-CD2 3.48Å; L263-I267 HydrophobicContact CD1-CB 4.26Å; L263-I267 HydrophobicContact CD1-CD1 4.16Å; L263-I267 HydrophobicContact CD1-CG1 4.13Å; L263-I267 HydrophobicContact CD2-CD1 3.61Å; L263-I267 HydrophobicContact CD2-CG1 4.4Å; L263-F289 HydrophobicContact CD1-CB 4.08Å; L263-P291 HydrophobicContact CB-CG 4.37Å; L263-P291 VanDerWaalsContact O-CB 3.24Å; L263-P291 WeakPolarHBondContact O-CB 3.37Å; L263-P291 WeakPolarHBondContact O-CG 3.22Å
264S88.3Confident94.1Very high117 Ų11760.5 Ų60.582%0.81831%0.305SS*.SBendtrans-82.6-29.116851.60000112.7N262N262-S264 PolarHBondContact O-N 3.06Å
265E91.8Very high94Very high134 Ų13454.2 Ų54.263%0.62628%0.281SS*.SBendtrans-132.3155-177.267.1179.4171.200112.9I267E265-I267 PolarHBondContact O-N 2.97Å
266P94.8Very high94Very high65 Ų6556.7 Ų56.742%0.42230%0.297SS..  trans-68.3111.8177.4-26.238.4000114.8Q288 F289 L290P266-Q288 HydrophobicContact CB-CG 3.97Å; P266-Q288 VanDerWaalsContact CB-NE2 3.27Å; P266-F289 CarbonylContact C-O 3.54Å; P266-F289 VanDerWaalsContact CA-O 3.27Å; P266-F289 WeakPolarHBondContact CA-O 3.34Å; P266-L290 HydrophobicContact CB-CD2 3.93Å; P266-L290 HydrophobicContact CG-CD2 4.21Å
267I94.9Very high93.9Very high35 Ų3560.4 Ų60.418%0.17932%0.323CS..EExtended strand (participates in β ladder)trans-92.2133.7-179.3-63.7-177.5000111.7Y258 L263 E265 V269 Q288 F289Y258-I267 HydrophobicContact CE1-CD1 3.82Å; Y258-I267 HydrophobicContact CE2-CG2 4.43Å; L263-I267 HydrophobicContact CD1-CB 4.26Å; L263-I267 HydrophobicContact CD1-CD1 4.16Å; L263-I267 HydrophobicContact CD1-CG1 4.13Å; L263-I267 HydrophobicContact CD2-CD1 3.61Å; L263-I267 HydrophobicContact CD2-CG1 4.4Å; E265-I267 PolarHBondContact O-N 2.97Å; I267-V269 HydrophobicContact CG2-CG1 4.4Å; I267-Q288 CarbonylContact O-C 3.57Å; I267-Q288 WeakPolarHBondContact O-CA 3.49Å; I267-F289 PolarHBondContact N-O 2.82Å; I267-F289 PolarHBondContact O-N 3.2Å
268K96.6Very high93.7Very high134 Ų13459.5 Ų59.558%0.58331%0.314SS*.EExtended strand (participates in β ladder)trans-89133.6171.5-64.5-177.2-179.1-179.10111.3F287 Q288K268-F287 WeakPolarHBondContact CA-O 3.48Å; K268-Q288 HydrophobicContact CG-CG 4.25Å
269V97.3Very high93.7Very high4 Ų468.3 Ų68.32%0.02435%0.347CS..EExtended strand (participates in β ladder)trans-126.5164.3172.9-53.40000109.2F229 Q231 W234 Y258 I267 F287 F289F229-V269 HydrophobicContact CD1-CG2 4.05Å; Q231-V269 HydrophobicContact CB-CB 4.21Å; Q231-V269 HydrophobicContact CB-CG1 3.93Å; Q231-V269 HydrophobicContact CG-CG1 4.46Å; W234-V269 HydrophobicContact CZ3-CG1 4.2Å; Y258-V269 HydrophobicContact CD2-CG1 4.12Å; Y258-V269 HydrophobicContact CE2-CG1 3.74Å; I267-V269 HydrophobicContact CG2-CG1 4.4Å; V269-F287 HydrophobicContact CG2-CB 4.05Å; V269-F287 HydrophobicContact CG2-CD1 4.18Å; V269-F287 PolarHBondContact N-O 3Å; V269-F287 PolarHBondContact O-N 3.15Å; V269-F287 VanDerWaalsContact O-O 3.1Å; V269-F289 HydrophobicContact CG1-CD2 3.83Å; V269-F289 HydrophobicContact CG1-CE2 4.19Å; V269-F289 HydrophobicContact CG2-CD2 3.94Å; V269-F289 HydrophobicContact CG2-CE2 3.84Å
270K97.9Very high93.9Very high70 Ų7063.4 Ų63.430%0.30433%0.33SS..EExtended strand (participates in β ladder)trans-93144.5170.4-68.1-55.1-168.9-178.20111F229 F230 P284 M285 D286F229-K270 CarbonylContact C-O 3.59Å; F229-K270 VanDerWaalsContact CA-O 3.28Å; F229-K270 WeakPolarHBondContact CA-O 3.49Å; F230-K270 HydrophobicContact CD1-CB 3.88Å; F230-K270 HydrophobicContact CD2-CB 4.3Å; F230-K270 HydrophobicContact CE1-CB 3.37Å; F230-K270 HydrophobicContact CE1-CG 4.49Å; F230-K270 HydrophobicContact CE2-CB 3.87Å; F230-K270 HydrophobicContact CE2-CG 4.31Å; F230-K270 HydrophobicContact CG-CB 4.31Å; F230-K270 HydrophobicContact CZ-CB 3.39Å; F230-K270 HydrophobicContact CZ-CG 4.06Å; F230-K270 PolarHBondContact N-O 2.96Å; F230-K270 PolarHBondContact O-N 3.23Å; K270-P284 HydrophobicContact CB-CB 4.12Å; K270-P284 HydrophobicContact CD-CB 4.24Å; K270-P284 HydrophobicContact CG-CB 4.29Å; K270-M285 CarbonylContact C-O 3.34Å; K270-M285 WeakPolarHBondContact CA-O 3.41Å; K270-D286 WeakPolarHBondContact CD-OD1 3.36Å; K270-D286 WeakPolarHBondContact CE-OD1 3.24Å; K270-D286 IonicContact NZ-OD1 2.87Å; K270-D286 PolarHBondContact NZ-OD1 3.47Å; K270-D286 IonicContact NZ-OD2 2.69Å; K270-D286 PolarHBondContact NZ-OD2 3.1Å
271M97.9Very high94.3Very high2 Ų262.8 Ų62.81%0.0133%0.329CS..EExtended strand (participates in β ladder)trans-127.6129.2174.6-178.5-174.669.300109I197 V200 L215 V227 R228 F229 F253 M285 F287I197-M271 HydrophobicContact CD1-CE 4.39Å; V200-M271 HydrophobicContact CG1-CE 4.25Å; V200-M271 HydrophobicContact CG2-CE 3.82Å; L215-M271 HydrophobicContact CD1-CE 4.15Å; V227-M271 HydrophobicContact CG1-CG 3.84Å; V227-M271 HydrophobicContact CG1-SD 4.08Å; R228-M271 WeakPolarHBondContact O-CA 3.38Å; F229-M271 HydrophobicContact CD1-CB 4.04Å; F229-M271 HydrophobicContact CD1-CG 4.16Å; F229-M271 HydrophobicContact CD2-CG 4.47Å; F229-M271 HydrophobicContact CE1-CB 3.95Å; F229-M271 HydrophobicContact CE1-CG 3.78Å; F229-M271 HydrophobicContact CE1-SD 3.65Å; F229-M271 HydrophobicContact CE2-CG 4.11Å; F229-M271 HydrophobicContact CE2-SD 4.11Å; F229-M271 HydrophobicContact CG-CG 4.49Å; F229-M271 HydrophobicContact CZ-CB 4.43Å; F229-M271 HydrophobicContact CZ-CG 3.75Å; F229-M271 HydrophobicContact CZ-SD 3.35Å; F229-M271 WeakPolarHBondContact CZ-SD 3.42Å; F253-M271 HydrophobicContact CZ-SD 3.8Å; M271-M285 PolarHBondContact N-O 3.15Å; M271-M285 PolarHBondContact O-N 3.11Å; M271-F287 HydrophobicContact CB-CB 4.21Å
272Q98Very high94.9Very high10 Ų1060.2 Ų60.25%0.04731%0.313CS..EExtended strand (participates in β ladder)trans-142.7157.3179.468-170.832.100111.2R228 F230 P284R228-Q272 HydrophobicContact CB-CG 4.17Å; R228-Q272 PolarHBondContact N-O 3.06Å; R228-Q272 PolarHBondContact O-N 3.21Å; F230-Q272 HydrophobicContact CD1-CG 4.38Å; F230-Q272 HydrophobicContact CE1-CB 4.4Å; F230-Q272 HydrophobicContact CE1-CG 3.8Å; Q272-P284 HydrophobicContact CB-CB 4.39Å
273L98.4Very high95.3Very high0 Ų061.4 Ų61.40%032%0.315CS..EExtended strand (participates in β ladder)trans-75.5151.7162.9-66.1170.4000109.5L195 I197 L215 C217 V220 I225 V227 I251 V281 S282L195-L273 HydrophobicContact CB-CB 4.42Å; L195-L273 HydrophobicContact CD1-CB 4.24Å; I197-L273 HydrophobicContact CD1-CG 4.31Å; I197-L273 HydrophobicContact CG1-CD1 3.91Å; I197-L273 HydrophobicContact CG1-CG 3.74Å; L215-L273 HydrophobicContact CD1-CD2 4.49Å; L215-L273 HydrophobicContact CD2-CD1 4.45Å; L215-L273 HydrophobicContact CD2-CD2 4.16Å; C217-L273 HydrophobicContact CB-CD1 3.74Å; V220-L273 HydrophobicContact CG1-CD1 4.5Å; I225-L273 HydrophobicContact CD1-CB 4.18Å; I225-L273 HydrophobicContact CD1-CD2 4.23Å; I225-L273 HydrophobicContact CG1-CD2 4.24Å; V227-L273 HydrophobicContact CG2-CD2 4.12Å; I251-L273 HydrophobicContact CD1-CD2 3.79Å; L273-V281 CarbonylContact O-C 3.54Å; L273-V281 VanDerWaalsContact O-CA 3.26Å; L273-V281 WeakPolarHBondContact O-CA 3.38Å; L273-S282 PolarHBondContact N-OG 3.43Å; L273-S282 PolarHBondContact O-N 2.73Å
274R97.8Very high95.8Very high51 Ų5163.5 Ų63.519%0.19233%0.329CS..EExtended strand (participates in β ladder)trans-143.6139172.5167.9175.2164.8-160.115.1110.4E226 E235 P276 E280 V281E226-R274 HydrophobicContact CG-CB 3.84Å; E226-R274 HydrophobicContact CG-CG 4.02Å; E226-R274 PolarHBondContact N-O 2.82Å; E226-R274 PolarHBondContact O-N 3.09Å; E226-R274 VanDerWaalsContact OE1-CD 3.27Å; E226-R274 WeakPolarHBondContact OE1-CD 3.49Å; E226-R274 IonicContact OE1-CZ 2.72Å; E226-R274 VanDerWaalsContact OE1-CZ 3.23Å; E226-R274 IonicContact OE1-NE 3.88Å; E226-R274 PolarHBondContact OE1-NE 3.43Å; E226-R274 IonicContact OE1-NH1 3.24Å; E226-R274 PolarHBondContact OE1-NH1 3.42Å; E235-R274 IonicContact OE1-NH1 3.07Å; E235-R274 PolarHBondContact OE1-NH1 2.99Å; E235-R274 IonicContact OE2-NH1 2.69Å; R274-P276 WeakPolarHBondContact O-CD 3.38Å; R274-E280 CarbonylContact C-O 3.41Å; R274-E280 VanDerWaalsContact CA-O 3.25Å; R274-E280 WeakPolarHBondContact CA-O 3.33Å; R274-V281 HydrophobicContact CB-CG1 4.1Å; R274-V281 HydrophobicContact CG-CG1 4.18Å
275R97.4Very high96.2Very high1 Ų161.1 Ų61.10%0.00431%0.306CS..  trans-93.6115.9171.2-169-171.2-42.4-85.43.5108.9P190 N191 A193 L195 D224 S277 D278 R279 E280P190-R275 PolarHBondContact O-NH1 2.91Å; N191-R275 PolarHBondContact O-NE 2.84Å; N191-R275 PolarHBondContact O-NH1 3.31Å; A193-R275 PolarHBondContact O-NH2 3.27Å; L195-R275 HydrophobicContact CD1-CB 4.08Å; D224-R275 VanDerWaalsContact CG-CG 3.46Å; D224-R275 WeakPolarHBondContact O-CG 3.15Å; D224-R275 VanDerWaalsContact OD2-CD 3.3Å; D224-R275 WeakPolarHBondContact OD2-CD 3.35Å; D224-R275 WeakPolarHBondContact OD2-CG 3.31Å; R275-S277 VanDerWaalsContact C-N 3.34Å; R275-S277 VanDerWaalsContact CD-OG 3.27Å; R275-S277 WeakPolarHBondContact CD-OG 3.37Å; R275-S277 WeakPolarHBondContact CG-OG 3.45Å; R275-S277 PolarHBondContact O-N 3.11Å; R275-D278 VanDerWaalsContact CD-OD1 3.26Å; R275-D278 WeakPolarHBondContact CD-OD1 3.24Å; R275-D278 IonicContact NE-OD1 2.69Å; R275-D278 IonicContact NE-OD2 3.14Å; R275-R279 WeakPolarHBondContact O-CA 3.24Å; R275-R279 PolarHBondContact O-N 2.94Å; R275-E280 HydrophobicContact CB-CB 4.26Å; R275-E280 IonicContact CZ-OE2 2.78Å; R275-E280 PolarHBondContact N-O 3.29Å; R275-E280 IonicContact NE-OE2 3.92Å; R275-E280 PolarHBondContact NE-OE2 3.5Å; R275-E280 IonicContact NH2-OE2 3.67Å; R275-E280 PolarHBondContact NH2-OE2 3.44Å
276P96.4Very high96.4Very high58 Ų5858.5 Ų58.538%0.37730%0.297SS..THydrogen-bonded Turntrans-58.7-37.4178.6-29.837.3000115D224 E226 R274D224-P276 VanDerWaalsContact C-CD 3.49Å; D224-P276 VanDerWaalsContact OD1-CD 3.24Å; D224-P276 WeakPolarHBondContact OD1-CD 3.46Å; E226-P276 HydrophobicContact CG-CG 4.27Å; R274-P276 WeakPolarHBondContact O-CD 3.38Å
277S95.2Very high96.6Very high85 Ų8555.5 Ų55.559%0.59428%0.277SS*.THydrogen-bonded Turntrans-63.9-49.1-172640000114.9D224 R275D224-S277 WeakPolarHBondContact OD1-CB 3.38Å; D224-S277 PolarHBondContact OD1-N 3.12Å; D224-S277 PolarHBondContact OD1-OG 2.68Å; D224-S277 VanDerWaalsContact OD2-CB 3.24Å; D224-S277 WeakPolarHBondContact OD2-CB 3.44Å; D224-S277 PolarHBondContact OD2-OG 3.02Å; R275-S277 VanDerWaalsContact C-N 3.34Å; R275-S277 VanDerWaalsContact CD-OG 3.27Å; R275-S277 WeakPolarHBondContact CD-OG 3.37Å; R275-S277 WeakPolarHBondContact CG-OG 3.45Å; R275-S277 PolarHBondContact O-N 3.11Å
278D92.6Very high96.7Very high59 Ų5956.9 Ų56.932%0.31628%0.283SS..THydrogen-bonded Turntrans-109.5-4.1-179.171.40.7000113.9R31 R275 E280R31-D278 IonicContact CZ-OD2 3.02Å; R31-D278 VanDerWaalsContact CZ-OD2 3.22Å; R31-D278 IonicContact NH1-OD2 3.85Å; R31-D278 PolarHBondContact NH1-OD2 3.46Å; R31-D278 IonicContact NH2-OD2 3.6Å; R31-D278 PolarHBondContact NH2-OD2 3.38Å; R275-D278 VanDerWaalsContact CD-OD1 3.26Å; R275-D278 WeakPolarHBondContact CD-OD1 3.24Å; R275-D278 IonicContact NE-OD1 2.69Å; R275-D278 IonicContact NE-OD2 3.14Å; D278-E280 PolarHBondContact O-N 2.87Å; D278-E280 WeakPolarHBondContact OD1-CB 3.47Å; D278-E280 PolarHBondContact OD1-N 3.08Å
279R94.4Very high96.7Very high195 Ų19550.5 Ų50.574%0.73626%0.255SS*.  trans65.319.2-176.6-48.9178.2-177.9179.50.8114.6R275R275-R279 WeakPolarHBondContact O-CA 3.24Å; R275-R279 PolarHBondContact O-N 2.94Å
280E94.6Very high96.6Very high24 Ų2453.3 Ų53.311%0.11227%0.269CS..  trans-57.1148.6168.1-177.6178.2-160.100111R31 E194 L195 R274 R275 D278R31-E280 WeakPolarHBondContact CD-OE1 3.17Å; R31-E280 IonicContact CZ-OE1 3.36Å; R31-E280 IonicContact CZ-OE2 2.89Å; R31-E280 IonicContact NE-OE1 2.68Å; R31-E280 IonicContact NE-OE2 2.7Å; R31-E280 VanDerWaalsContact NH1-CD 3.32Å; R31-E280 IonicContact NH1-OE1 3.54Å; R31-E280 IonicContact NH1-OE2 3.23Å; R31-E280 PolarHBondContact NH1-OE2 2.86Å; E194-E280 WeakPolarHBondContact CA-OE1 3.08Å; L195-E280 HydrophobicContact CD1-CB 4.37Å; L195-E280 HydrophobicContact CD1-CG 4.09Å; L195-E280 HydrophobicContact CG-CG 4.08Å; L195-E280 PolarHBondContact N-OE1 3.35Å; R274-E280 CarbonylContact C-O 3.41Å; R274-E280 VanDerWaalsContact CA-O 3.25Å; R274-E280 WeakPolarHBondContact CA-O 3.33Å; R275-E280 HydrophobicContact CB-CB 4.26Å; R275-E280 IonicContact CZ-OE2 2.78Å; R275-E280 PolarHBondContact N-O 3.29Å; R275-E280 IonicContact NE-OE2 3.92Å; R275-E280 PolarHBondContact NE-OE2 3.5Å; R275-E280 IonicContact NH2-OE2 3.67Å; R275-E280 PolarHBondContact NH2-OE2 3.44Å; D278-E280 PolarHBondContact O-N 2.87Å; D278-E280 WeakPolarHBondContact OD1-CB 3.47Å; D278-E280 PolarHBondContact OD1-N 3.08Å
281V96.6Very high96.3Very high65 Ų6552.1 Ų52.139%0.39427%0.269SS..BIsolated β-bridgetrans-135.7150178.9-59.50000110.6L273 R274L273-V281 CarbonylContact O-C 3.54Å; L273-V281 VanDerWaalsContact O-CA 3.26Å; L273-V281 WeakPolarHBondContact O-CA 3.38Å; R274-V281 HydrophobicContact CB-CG1 4.1Å; R274-V281 HydrophobicContact CG-CG1 4.18Å
282S97.4Very high95.6Very high5 Ų553.6 Ų53.64%0.03528%0.281CS..PPolyproline II helixtrans-75.7169.9170.172.30000112L195 L273L195-S282 VanDerWaalsContact O-CA 3.24Å; L195-S282 WeakPolarHBondContact O-CA 3.48Å; L195-S282 WeakPolarHBondContact O-CB 3.38Å; L273-S282 PolarHBondContact N-OG 3.43Å; L273-S282 PolarHBondContact O-N 2.73Å
283E95.9Very high94.5Very high155 Ų15557.8 Ų57.872%0.72430%0.304SS*.PPolyproline II helixtrans-52.4139.3158.6-63.5-174.4137.200110.5
284P97.1Very high93.1Very high64 Ų6464.1 Ų64.142%0.41635%0.345SS..PPolyproline II helixtrans-88.9122.3-175.232.4-33.9000113F230 K270 Q272F230-P284 HydrophobicContact CE1-CB 4.27Å; F230-P284 HydrophobicContact CZ-CB 4.02Å; K270-P284 HydrophobicContact CB-CB 4.12Å; K270-P284 HydrophobicContact CD-CB 4.24Å; K270-P284 HydrophobicContact CG-CB 4.29Å; Q272-P284 HydrophobicContact CB-CB 4.39Å
285M96.6Very high91.9Very high67 Ų6762.9 Ų62.933%0.3334%0.342SS..EExtended strand (participates in β ladder)trans-86.6151.8173.9-169.7166.3-71.300111.2I197 V200 K270 M271I197-M285 HydrophobicContact CB-CE 4.39Å; I197-M285 HydrophobicContact CG2-CE 3.71Å; I197-M285 HydrophobicContact CG2-SD 4.18Å; V200-M285 HydrophobicContact CB-SD 4.44Å; V200-M285 HydrophobicContact CG2-CE 4.5Å; V200-M285 HydrophobicContact CG2-SD 3.58Å; V200-M285 VanDerWaalsContact CG2-SD 3.58Å; K270-M285 CarbonylContact C-O 3.34Å; K270-M285 WeakPolarHBondContact CA-O 3.41Å; M271-M285 PolarHBondContact N-O 3.15Å; M271-M285 PolarHBondContact O-N 3.11Å
286D97.4Very high90.5Very high80 Ų8068.5 Ų68.543%0.42837%0.369SS..EExtended strand (participates in β ladder)trans-78.3137171.3-75.2-58.5000111.8K270K270-D286 WeakPolarHBondContact CD-OD1 3.36Å; K270-D286 WeakPolarHBondContact CE-OD1 3.24Å; K270-D286 IonicContact NZ-OD1 2.87Å; K270-D286 PolarHBondContact NZ-OD1 3.47Å; K270-D286 IonicContact NZ-OD2 2.69Å; K270-D286 PolarHBondContact NZ-OD2 3.1Å
287F97.8Very high89.1Confident1 Ų174.6 Ų74.60%0.00439%0.385CS..EExtended strand (participates in β ladder)trans-129.3143.9168.7-174-91.8000109.8N203 S204 I213 F229 T255 K268 V269 M271 F289N203-F287 VanDerWaalsContact C-CD2 3.41Å; N203-F287 VanDerWaalsContact C-CE2 3.48Å; N203-F287 CarbonylContact O-C 3.59Å; N203-F287 WeakPolarHBondContact O-CA 3.3Å; N203-F287 WeakPolarHBondContact O-CD2 3.48Å; S204-F287 VanDerWaalsContact C-CZ 3.46Å; I213-F287 HydrophobicContact CD1-CD2 4.22Å; I213-F287 HydrophobicContact CD1-CE2 3.43Å; I213-F287 VanDerWaalsContact CD1-CE2 3.43Å; I213-F287 HydrophobicContact CD1-CZ 3.96Å; F229-F287 HydrophobicContact CD1-CB 4.44Å; F229-F287 HydrophobicContact CD1-CD1 4.25Å; F229-F287 HydrophobicContact CD1-CG 4.38Å; F229-F287 HydrophobicContact CE1-CB 4.07Å; F229-F287 AromaticContact CE1-CD1 3.78Å; F229-F287 HydrophobicContact CE1-CD1 3.78Å; F229-F287 HydrophobicContact CE1-CD2 4.14Å; F229-F287 HydrophobicContact CE1-CE1 4.26Å; F229-F287 AromaticContact CE1-CG 3.71Å; F229-F287 HydrophobicContact CE1-CG 3.71Å; T255-F287 HydrophobicContact CG2-CE1 4.28Å; T255-F287 HydrophobicContact CG2-CE2 4.41Å; T255-F287 HydrophobicContact CG2-CZ 3.8Å; K268-F287 WeakPolarHBondContact CA-O 3.48Å; V269-F287 HydrophobicContact CG2-CB 4.05Å; V269-F287 HydrophobicContact CG2-CD1 4.18Å; V269-F287 PolarHBondContact N-O 3Å; V269-F287 PolarHBondContact O-N 3.15Å; V269-F287 VanDerWaalsContact O-O 3.1Å; M271-F287 HydrophobicContact CB-CB 4.21Å; F287-F289 HydrophobicContact CD1-CD2 4.44Å; F287-F289 HydrophobicContact CD1-CE2 4.4Å; F287-F289 HydrophobicContact CD1-CZ 4.47Å; F287-F289 AromaticContact CE1-CD1 3.97Å; F287-F289 HydrophobicContact CE1-CD1 3.97Å; F287-F289 AromaticContact CE1-CE1 3.93Å; F287-F289 HydrophobicContact CE1-CE1 3.93Å; F287-F289 HydrophobicContact CE1-CG 4.31Å; F287-F289 HydrophobicContact CE1-CZ 4.23Å
288Q97.5Very high88.2Confident65 Ų6577.7 Ų77.730%0.30438%0.384SS..EExtended strand (participates in β ladder)trans-117.9112.2-176.3-165169.522.200112N203 S204 G205 P266 I267 K268 L290N203-Q288 PolarHBondContact O-N 3.49Å; S204-Q288 WeakPolarHBondContact CA-O 3.34Å; S204-Q288 VanDerWaalsContact CB-O 3.31Å; S204-Q288 WeakPolarHBondContact CB-O 3.25Å; G205-Q288 PolarHBondContact N-O 2.78Å; G205-Q288 VanDerWaalsContact N-O 3.1Å; P266-Q288 HydrophobicContact CB-CG 3.97Å; P266-Q288 VanDerWaalsContact CB-NE2 3.27Å; I267-Q288 CarbonylContact O-C 3.57Å; I267-Q288 WeakPolarHBondContact O-CA 3.49Å; K268-Q288 HydrophobicContact CG-CG 4.25Å; Q288-L290 HydrophobicContact CG-CD2 4.23Å
289F97Very high87.4Confident0 Ų079.4 Ų79.40%039%0.392CS..EExtended strand (participates in β ladder)trans-75.9130.8168.2-77.4-65.8000110G205 S206 W234 P256 Y258 L263 P266 I267 V269 F287G205-F289 CarbonylContact O-C 3.42Å; G205-F289 WeakPolarHBondContact O-CA 3.35Å; S206-F289 WeakPolarHBondContact O-CD1 3.37Å; W234-F289 AromaticContact CH2-CE2 3.78Å; W234-F289 HydrophobicContact CH2-CE2 3.78Å; W234-F289 HydrophobicContact CH2-CZ 4.22Å; W234-F289 HydrophobicContact CZ3-CE2 4.09Å; P256-F289 WeakPolarHBondContact O-CE1 3.46Å; P256-F289 WeakPolarHBondContact O-CZ 3.16Å; Y258-F289 AromaticContact CD2-CD2 3.56Å; Y258-F289 HydrophobicContact CD2-CD2 3.56Å; Y258-F289 AromaticContact CD2-CE2 3.82Å; Y258-F289 HydrophobicContact CD2-CE2 3.82Å; Y258-F289 HydrophobicContact CD2-CG 4.38Å; Y258-F289 HydrophobicContact CE2-CD2 4.41Å; Y258-F289 AromaticContact CG-CD2 3.9Å; Y258-F289 HydrophobicContact CG-CD2 3.9Å; Y258-F289 HydrophobicContact CG-CE2 4.3Å; Y258-F289 HydrophobicContact CG-CG 4.29Å; L263-F289 HydrophobicContact CD1-CB 4.08Å; P266-F289 CarbonylContact C-O 3.54Å; P266-F289 VanDerWaalsContact CA-O 3.27Å; P266-F289 WeakPolarHBondContact CA-O 3.34Å; I267-F289 PolarHBondContact N-O 2.82Å; I267-F289 PolarHBondContact O-N 3.2Å; V269-F289 HydrophobicContact CG1-CD2 3.83Å; V269-F289 HydrophobicContact CG1-CE2 4.19Å; V269-F289 HydrophobicContact CG2-CD2 3.94Å; V269-F289 HydrophobicContact CG2-CE2 3.84Å; F287-F289 HydrophobicContact CD1-CD2 4.44Å; F287-F289 HydrophobicContact CD1-CE2 4.4Å; F287-F289 HydrophobicContact CD1-CZ 4.47Å; F287-F289 AromaticContact CE1-CD1 3.97Å; F287-F289 HydrophobicContact CE1-CD1 3.97Å; F287-F289 AromaticContact CE1-CE1 3.93Å; F287-F289 HydrophobicContact CE1-CE1 3.93Å; F287-F289 HydrophobicContact CE1-CG 4.31Å; F287-F289 HydrophobicContact CE1-CZ 4.23Å
290L94.8Very high86.4Confident62 Ų6273.8 Ų73.833%0.32538%0.38SS..EExtended strand (participates in β ladder)trans-102150.5-179.8-53.8-179.1000110G205 C207 P266 Q288G205-L290 PolarHBondContact O-N 2.69Å; C207-L290 WeakPolarHBondContact CB-O 3.5Å; C207-L290 PolarHBondContact N-O 2.99Å; C207-L290 PolarHBondContact SG-O 3.19Å; C207-L290 VanDerWaalsContact SG-O 3.38Å; P266-L290 HydrophobicContact CB-CD2 3.93Å; P266-L290 HydrophobicContact CG-CD2 4.21Å; Q288-L290 HydrophobicContact CG-CD2 4.23Å
291P92.1Very high85.5Confident46 Ų4677.2 Ų77.230%0.29940%0.396SS..  trans-44.4141.3162.3-3238.9000112.7L263 D293L263-P291 HydrophobicContact CB-CG 4.37Å; L263-P291 VanDerWaalsContact O-CB 3.24Å; L263-P291 WeakPolarHBondContact O-CB 3.37Å; L263-P291 WeakPolarHBondContact O-CG 3.22Å; P291-D293 PolarHBondContact O-N 3.42Å
292A82.2Confident84.6Confident32 Ų3280.9 Ų80.926%0.26441%0.407SS..  trans-65.9129.7169.900000109.1C207 R208 P294C207-A292 PolarHBondContact SG-N 2.6Å; R208-A292 HydrophobicContact CG-CB 4.19Å; A292-P294 VanDerWaalsContact O-CD 3.31Å; A292-P294 WeakPolarHBondContact O-CD 3.25Å
293D75.6Confident83.7Confident99 Ų9989 Ų8953%0.52944%0.436SS..  trans-65.1117.3176.2-168.2-28000109.4P291 D295 E296P291-D293 PolarHBondContact O-N 3.42Å; D293-D295 PolarHBondContact O-N 2.87Å; D293-D295 VanDerWaalsContact O-N 3.15Å; D293-D295 WeakPolarHBondContact OD1-CA 3.31Å; D293-D295 PolarHBondContact OD1-N 2.93Å; D293-E296 PolarHBondContact O-N 3.05Å
294P68.9Low82.9Confident132 Ų13289.9 Ų89.986%0.85744%0.438SS*.THydrogen-bonded Turntrans-67.5-10.1179.230.1-36.6000112.9A292A292-P294 VanDerWaalsContact O-CD 3.31Å; A292-P294 WeakPolarHBondContact O-CD 3.25Å
295D73.1Confident82Confident26 Ų2697.3 Ų97.314%0.13946%0.458CS..THydrogen-bonded Turntrans-131.152.3175.8-162.635.3000110.7D293 Y297 R298 L299 T300 E301D293-D295 PolarHBondContact O-N 2.87Å; D293-D295 VanDerWaalsContact O-N 3.15Å; D293-D295 WeakPolarHBondContact OD1-CA 3.31Å; D293-D295 PolarHBondContact OD1-N 2.93Å; D295-Y297 PolarHBondContact O-N 2.86Å; D295-R298 VanDerWaalsContact O-CA 3.28Å; D295-R298 WeakPolarHBondContact O-CA 3.28Å; D295-R298 PolarHBondContact O-N 2.91Å; D295-R298 VanDerWaalsContact OD2-CA 3.22Å; D295-R298 WeakPolarHBondContact OD2-CA 3.49Å; D295-L299 VanDerWaalsContact CG-N 3.33Å; D295-L299 PolarHBondContact OD1-N 3.2Å; D295-L299 PolarHBondContact OD2-N 3.11Å; D295-L299 VanDerWaalsContact OD2-N 3.15Å; D295-T300 VanDerWaalsContact CG-CB 3.44Å; D295-T300 WeakPolarHBondContact OD1-CB 3.23Å; D295-T300 PolarHBondContact OD1-N 3.15Å; D295-T300 PolarHBondContact OD1-OG1 2.97Å; D295-T300 VanDerWaalsContact OD2-CA 3.31Å; D295-T300 WeakPolarHBondContact OD2-CA 3.31Å; D295-T300 VanDerWaalsContact OD2-CB 3.25Å; D295-T300 WeakPolarHBondContact OD2-CB 3.36Å; D295-T300 PolarHBondContact OD2-N 3.16Å; D295-E301 PolarHBondContact OD2-N 2.86Å
296E67.3Low81.1Confident119 Ų11997.2 Ų97.256%0.55646%0.461SS*.THydrogen-bonded Turntrans-44.1-33.3180-172.1175.1177.300114.8R208 D293R208-E296 IonicContact CZ-OE2 3.24Å; R208-E296 IonicContact NH1-OE2 2.74Å; R208-E296 PolarHBondContact NH1-OE2 3.19Å; D293-E296 PolarHBondContact O-N 3.05Å
297Y67.9Low80.1Confident186 Ų18694.4 Ų94.473%0.72945%0.451SS*.THydrogen-bonded Turntrans-97.46.1177.1-68.5-75.5000114.6D295 L299D295-Y297 PolarHBondContact O-N 2.86Å; Y297-L299 HydrophobicContact CG-CD1 4.44Å; Y297-L299 PolarHBondContact O-N 2.95Å; Y297-L299 VanDerWaalsContact O-N 3.15Å
298R75.1Confident79Confident150 Ų15099.9 Ų99.957%0.56648%0.48SS*.  trans50.933.3-175-54.1-178.172.91494.8112.5D295 E301 K302D295-R298 VanDerWaalsContact O-CA 3.28Å; D295-R298 WeakPolarHBondContact O-CA 3.28Å; D295-R298 PolarHBondContact O-N 2.91Å; D295-R298 VanDerWaalsContact OD2-CA 3.22Å; D295-R298 WeakPolarHBondContact OD2-CA 3.49Å; R298-E301 IonicContact CZ-OE2 2.7Å; R298-E301 IonicContact NE-OE2 3.26Å; R298-E301 PolarHBondContact NE-OE2 2.89Å; R298-E301 VanDerWaalsContact NH2-CD 3.31Å; R298-E301 IonicContact NH2-OE1 2.78Å; R298-E301 PolarHBondContact NH2-OE1 3.42Å; R298-E301 IonicContact NH2-OE2 2.96Å; R298-E301 PolarHBondContact NH2-OE2 2.96Å; R298-K302 WeakPolarHBondContact O-CB 3.26Å; R298-K302 PolarHBondContact O-N 3.47Å
299L76.4Confident78Confident94 Ų94102.7 Ų102.749%0.49250%0.495SS..Hα-helixtrans-76-34.9-173.9-76.7169.9000112.2D295 Y297 R303D295-L299 VanDerWaalsContact CG-N 3.33Å; D295-L299 PolarHBondContact OD1-N 3.2Å; D295-L299 PolarHBondContact OD2-N 3.11Å; D295-L299 VanDerWaalsContact OD2-N 3.15Å; Y297-L299 HydrophobicContact CG-CD1 4.44Å; Y297-L299 PolarHBondContact O-N 2.95Å; Y297-L299 VanDerWaalsContact O-N 3.15Å; L299-R303 WeakPolarHBondContact O-CB 3.49Å; L299-R303 PolarHBondContact O-N 2.82Å
300T72.4Confident76.9Confident78 Ų78109.6 Ų109.648%0.47953%0.525SS..Hα-helixtrans-76.5-41.9176.5-50.30000110.3D295 R303 K304D295-T300 VanDerWaalsContact CG-CB 3.44Å; D295-T300 WeakPolarHBondContact OD1-CB 3.23Å; D295-T300 PolarHBondContact OD1-N 3.15Å; D295-T300 PolarHBondContact OD1-OG1 2.97Å; D295-T300 VanDerWaalsContact OD2-CA 3.31Å; D295-T300 WeakPolarHBondContact OD2-CA 3.31Å; D295-T300 VanDerWaalsContact OD2-CB 3.25Å; D295-T300 WeakPolarHBondContact OD2-CB 3.36Å; D295-T300 PolarHBondContact OD2-N 3.16Å; T300-R303 PolarHBondContact O-N 2.82Å; T300-K304 WeakPolarHBondContact O-CB 3.39Å; T300-K304 PolarHBondContact O-N 2.7Å
301E75.8Confident75.9Confident96 Ų96112 Ų11245%0.44954%0.535SS..Hα-helixtrans-62.6-45171.2-168-174.6-168.300111.3D295 R298 K304 R305D295-E301 PolarHBondContact OD2-N 2.86Å; R298-E301 IonicContact CZ-OE2 2.7Å; R298-E301 IonicContact NE-OE2 3.26Å; R298-E301 PolarHBondContact NE-OE2 2.89Å; R298-E301 VanDerWaalsContact NH2-CD 3.31Å; R298-E301 IonicContact NH2-OE1 2.78Å; R298-E301 PolarHBondContact NH2-OE1 3.42Å; R298-E301 IonicContact NH2-OE2 2.96Å; R298-E301 PolarHBondContact NH2-OE2 2.96Å; E301-K304 PolarHBondContact O-N 3.15Å; E301-R305 WeakPolarHBondContact O-CB 3.49Å; E301-R305 PolarHBondContact O-N 3.41Å
302K78.1Confident74.8Confident142 Ų142113.3 Ų113.362%0.61755%0.545SS*.Hα-helixtrans-63-42.5173-176.8175.5-178.9177.30112.1R298 K304 R305 T306R298-K302 WeakPolarHBondContact O-CB 3.26Å; R298-K302 PolarHBondContact O-N 3.47Å; K302-K304 VanDerWaalsContact C-N 3.31Å; K302-K304 PolarHBondContact O-N 2.9Å; K302-R305 PolarHBondContact O-N 3.07Å; K302-T306 WeakPolarHBondContact O-CB 3.12Å; K302-T306 PolarHBondContact O-N 2.86Å; K302-T306 PolarHBondContact O-OG1 2.89Å
303R78.4Confident74.2Confident174 Ų174117.6 Ų117.666%0.65756%0.563SS**Hα-helixtrans-63-37.4175.1-174.7-174.3-61.2146.63.1111.6L299 T300 G307L299-R303 WeakPolarHBondContact O-CB 3.49Å; L299-R303 PolarHBondContact O-N 2.82Å; T300-R303 PolarHBondContact O-N 2.82Å; R303-G307 WeakPolarHBondContact O-CA 3.35Å; R303-G307 PolarHBondContact O-N 2.69Å
304K79.8Confident73.6Confident175 Ų175119.3 Ų119.376%0.76157%0.566SS**Hα-helixtrans-67.4-47.5174-171176.8179.9-1790111.1T300 E301 K302 G307T300-K304 WeakPolarHBondContact O-CB 3.39Å; T300-K304 PolarHBondContact O-N 2.7Å; E301-K304 PolarHBondContact O-N 3.15Å; K302-K304 VanDerWaalsContact C-N 3.31Å; K302-K304 PolarHBondContact O-N 2.9Å; K304-G307 PolarHBondContact O-N 2.75Å
305R78.6Confident73.1Confident220 Ų220118.5 Ų118.583%0.8355%0.553SS**Hα-helixtrans-68-35.4-179.3-174.7176.2178.1-176.3-0.1114.1E301 K302E301-R305 WeakPolarHBondContact O-CB 3.49Å; E301-R305 PolarHBondContact O-N 3.41Å; K302-R305 PolarHBondContact O-N 3.07Å
306T77.6Confident72.3Confident65 Ų65119.5 Ų119.540%0.39957%0.57SS.*Hα-helixtrans-97.1-6.5179.7-51.80000112.4K302 D308 M309 F310K302-T306 WeakPolarHBondContact O-CB 3.12Å; K302-T306 PolarHBondContact O-N 2.86Å; K302-T306 PolarHBondContact O-OG1 2.89Å; T306-D308 PolarHBondContact O-N 2.83Å; T306-M309 HydrophobicContact CG2-CB 4.49Å; T306-M309 PolarHBondContact O-N 3.29Å; T306-F310 WeakPolarHBondContact O-CB 3.19Å; T306-F310 PolarHBondContact O-N 3Å
307G76.7Confident71.6Confident21 Ų21118.4 Ų118.422%0.21658%0.575CS.*Hα-helixtrans-57.7-47.8-176.500000113.1R303 K304 F310 Q311R303-G307 WeakPolarHBondContact O-CA 3.35Å; R303-G307 PolarHBondContact O-N 2.69Å; K304-G307 PolarHBondContact O-N 2.75Å; G307-F310 PolarHBondContact O-N 3.17Å; G307-Q311 WeakPolarHBondContact O-CG 3.32Å; G307-Q311 PolarHBondContact O-N 3.23Å
308D73.8Confident70.9Confident116 Ų116115.5 Ų115.562%0.6257%0.57SS**Hα-helixtrans-71.3-33.5-178.5-56.8-32.6000112.4T306 Q311 S312T306-D308 PolarHBondContact O-N 2.83Å; D308-Q311 PolarHBondContact O-N 3.46Å; D308-Q311 PolarHBondContact OD1-NE2 3.04Å; D308-S312 WeakPolarHBondContact O-CB 3.43Å; D308-S312 PolarHBondContact O-N 3.11Å; D308-S312 PolarHBondContact O-OG 3.06Å
309M76.1Confident69.8Low123 Ų123115.4 Ų115.461%0.60658%0.58SS**Hα-helixtrans-67.1-37.2172.2-177.6178.9-75.100111.9T306 S312 L313T306-M309 HydrophobicContact CG2-CB 4.49Å; T306-M309 PolarHBondContact O-N 3.29Å; M309-S312 PolarHBondContact O-OG 3.34Å; M309-S312 VanDerWaalsContact O-OG 3.07Å; M309-L313 HydrophobicContact CG-CD1 4.42Å; M309-L313 WeakPolarHBondContact O-CB 3.27Å; M309-L313 WeakPolarHBondContact O-CD1 3.45Å; M309-L313 VanDerWaalsContact O-CG 3.26Å; M309-L313 WeakPolarHBondContact O-CG 3.38Å; M309-L313 PolarHBondContact O-N 2.84Å; M309-L313 VanDerWaalsContact O-N 3.13Å
310F74.1Confident68.2Low145 Ų145115.6 Ų115.664%0.63659%0.59SS**Hα-helixtrans-72.5-36.1174.9-170.9-105.3000111.8T306 G307 K314T306-F310 WeakPolarHBondContact O-CB 3.19Å; T306-F310 PolarHBondContact O-N 3Å; G307-F310 PolarHBondContact O-N 3.17Å; F310-K314 WeakPolarHBondContact O-CB 3.38Å; F310-K314 PolarHBondContact O-N 3.14Å
311Q72.9Confident67.1Low113 Ų113118.7 Ų118.753%0.52861%0.609SS.*Hα-helixtrans-66.6-41.9173.4-73.4-177.39900112.3G307 D308 K314 L315G307-Q311 WeakPolarHBondContact O-CG 3.32Å; G307-Q311 PolarHBondContact O-N 3.23Å; D308-Q311 PolarHBondContact O-N 3.46Å; D308-Q311 PolarHBondContact OD1-NE2 3.04Å; Q311-K314 WeakPolarHBondContact O-CB 3.05Å; Q311-K314 PolarHBondContact O-N 2.78Å; Q311-L315 PolarHBondContact O-N 3.3Å
312S69.2Low65.6Low74 Ų74119.6 Ų119.652%0.51762%0.62SS.*Hα-helixtrans-67.3-40177.867.40000112.2D308 M309 K314 L315 G316D308-S312 WeakPolarHBondContact O-CB 3.43Å; D308-S312 PolarHBondContact O-N 3.11Å; D308-S312 PolarHBondContact O-OG 3.06Å; M309-S312 PolarHBondContact O-OG 3.34Å; M309-S312 VanDerWaalsContact O-OG 3.07Å; S312-K314 VanDerWaalsContact C-N 3.32Å; S312-K314 PolarHBondContact O-N 2.82Å; S312-L315 PolarHBondContact O-N 2.83Å; S312-G316 PolarHBondContact O-N 2.76Å
313L71.3Confident63.9Low122 Ų122118.1 Ų118.164%0.63963%0.628SS**Hα-helixtrans-61.6-39.5170.7-72.2169.4000112M309 G316 S317M309-L313 HydrophobicContact CG-CD1 4.42Å; M309-L313 WeakPolarHBondContact O-CB 3.27Å; M309-L313 WeakPolarHBondContact O-CD1 3.45Å; M309-L313 VanDerWaalsContact O-CG 3.26Å; M309-L313 WeakPolarHBondContact O-CG 3.38Å; M309-L313 PolarHBondContact O-N 2.84Å; M309-L313 VanDerWaalsContact O-N 3.13Å; L313-G316 PolarHBondContact O-N 2.86Å; L313-S317 PolarHBondContact O-N 3.3Å
314K61.3Low62.2Low134 Ų134116.1 Ų116.158%0.58364%0.635SS**Hα-helixtrans-66.1-38.1175.6-167.4176.4-178.7-175.80112.2F310 Q311 S312 S317F310-K314 WeakPolarHBondContact O-CB 3.38Å; F310-K314 PolarHBondContact O-N 3.14Å; Q311-K314 WeakPolarHBondContact O-CB 3.05Å; Q311-K314 PolarHBondContact O-N 2.78Å; S312-K314 VanDerWaalsContact C-N 3.32Å; S312-K314 PolarHBondContact O-N 2.82Å; K314-S317 WeakPolarHBondContact O-CB 3.5Å; K314-S317 PolarHBondContact O-N 3.4Å
315L59.3Low60.2Low115 Ų115113.3 Ų113.360%0.60263%0.634SS**Hα-helixtrans-72.5-30.3173.5-97.968.1000113Q311 S312 S317 M318Q311-L315 PolarHBondContact O-N 3.3Å; S312-L315 PolarHBondContact O-N 2.83Å; L315-S317 PolarHBondContact O-N 3.41Å; L315-M318 HydrophobicContact CD1-CE 4.07Å; L315-M318 HydrophobicContact CG-CE 4.41Å; L315-M318 WeakPolarHBondContact O-CB 3.33Å; L315-M318 WeakPolarHBondContact O-CG 3.49Å; L315-M318 PolarHBondContact O-N 2.91Å; L315-M318 VanDerWaalsContact O-N 3.16Å
316G55.5Low58.8Low48 Ų48112.2 Ų112.250%0.49564%0.638SS.*Hα-helixtrans-61.3-31172.500000113.1S312 L313 M318S312-G316 PolarHBondContact O-N 2.76Å; L313-G316 PolarHBondContact O-N 2.86Å; G316-M318 PolarHBondContact O-N 3.49Å
317S53.9Low57Low95 Ų95115.9 Ų115.966%0.66466%0.656SS**THydrogen-bonded Turntrans-68.4-10.5176.5-165.10000114.6L313 K314 L315L313-S317 PolarHBondContact O-N 3.3Å; K314-S317 WeakPolarHBondContact O-CB 3.5Å; K314-S317 PolarHBondContact O-N 3.4Å; L315-S317 PolarHBondContact O-N 3.41Å
318M52.3Low55.3Low125 Ų125124.2 Ų124.262%0.61668%0.681SS**THydrogen-bonded Turntrans-82.5-15.1-173.9-48.3-71.9-17000113.6L315 G316L315-M318 HydrophobicContact CD1-CE 4.07Å; L315-M318 HydrophobicContact CG-CE 4.41Å; L315-M318 WeakPolarHBondContact O-CB 3.33Å; L315-M318 WeakPolarHBondContact O-CG 3.49Å; L315-M318 PolarHBondContact O-N 2.91Å; L315-M318 VanDerWaalsContact O-N 3.16Å; G316-M318 PolarHBondContact O-N 3.49Å
319L52.5Low53.7Low148 Ų148129.5 Ų129.578%0.77569%0.692SS**SBendtrans-117.55.8-166.6-65.8177.6000115.1T321L319-T321 VanDerWaalsContact C-N 3.34Å; L319-T321 PolarHBondContact O-N 2.89Å
320S43.2Very low51.9Low99 Ų99131.6 Ų131.669%0.69270%0.7SS**  trans-84.372.1175.8-70.80000112.2V322S320-V322 PolarHBondContact O-N 2.85Å
321T49Very low50.4Low143 Ų143132.2 Ų132.288%0.87771%0.708SS**  trans-73.873.1165.953.80000110.6L319L319-T321 VanDerWaalsContact C-N 3.34Å; L319-T321 PolarHBondContact O-N 2.89Å
322V43.3Very low48.6Very low114 Ų114131.8 Ų131.869%0.69172%0.718SS**  trans-117121.1173179.90000109.1S320 V324S320-V322 PolarHBondContact O-N 2.85Å; V322-V324 PolarHBondContact O-N 3.34Å
323S43.9Very low47.2Very low112 Ų112136.2 Ų136.278%0.78374%0.735SS**PPolyproline II helixtrans-65.7116.2178.750.70000111.3P325S323-P325 WeakPolarHBondContact O-CD 3.49Å
324V41.2Very low45.5Very low132 Ų132135.3 Ų135.380%0.875%0.745SS**PPolyproline II helixtrans-77.7121.2177178.90000110V322V322-V324 PolarHBondContact O-N 3.34Å
325P38.4Very low44.3Very low115 Ų115140 Ų14075%0.74776%0.759SS**PPolyproline II helixtrans-65.7143.1169.7-17.732000110.8S323 D327S323-P325 WeakPolarHBondContact O-CD 3.49Å; P325-D327 PolarHBondContact O-N 3.46Å
326Q49.5Very low43.2Very low197 Ų197145.9 Ų145.992%0.92177%0.773SS**  trans-73.6113.1172.6-69.7-174.3-10.300110.6
327D38.7Very low42.4Very low142 Ų142149.4 Ų149.476%0.75979%0.787SS**  trans-142.2116.7148.8-154.5-17.9000109.9P325P325-D327 PolarHBondContact O-N 3.46Å
328R40.8Very low41.6Very low197 Ų197152 Ų15274%0.74380%0.799SS**  trans-11886.8-161.5-175.3-172.5175.7-171.3-0.5110.9H330R328-H330 PolarHBondContact NH2-NE2 3.28Å
329R41.3Very low40.8Very low226 Ų226150.8 Ų150.885%0.85381%0.808SS**  trans-87.3128.6166.9-64-170.6-175-177.22.8110.5
330H38.5Very low40Very low167 Ų167148.2 Ų148.277%0.77381%0.808SS**  trans-91.8123.5-171.7-136.5-98.6000110R328R328-H330 PolarHBondContact NH2-NE2 3.28Å
331I42.2Very low39.4Very low158 Ų158152.6 Ų152.681%0.8182%0.815SS**  trans-117.1122.4166.4-62.4179.7000107.2
332S36Very low38.6Very low104 Ų104152.1 Ų152.173%0.72781%0.806SS**  trans-88.1111.4-168.843.50000112.6A334S332-A334 PolarHBondContact O-N 3.15Å
333L39.7Very low38Very low167 Ų167151.5 Ų151.587%0.87481%0.807SS**  trans-75113.8160.9-82.187.4000109.6R335L333-R335 PolarHBondContact O-N 2.88Å
334A33.9Very low37.3Very low103 Ų103152 Ų15285%0.85181%0.811SS**  trans-69.8107.2173.900000110.9S332S332-A334 PolarHBondContact O-N 3.15Å
335R37.4Very low37Very low233 Ų233153.5 Ų153.588%0.87981%0.811SS**  trans-96108.8176.4-169.5-175.7-66.4-168.2-0.6109.6L333L333-R335 PolarHBondContact O-N 2.88Å
336R35.3Very low36.7Very low239 Ų239153.3 Ų153.390%0.90281%0.812SS**  trans-67.2126.6173.3-72-177.5177.7168.4-0.7110.1
337P39.3Very low35.8Very low122 Ų122152 Ų15279%0.79281%0.806SS**  trans-81.5149.2173.232.9-33.5000111.5
338V37.3Very low35.5Very low150 Ų150149.3 Ų149.391%0.90980%0.804SS**  trans-104.9139.3165.1173.50000107.8
339A36Very low35.1Very low98 Ų98144 Ų14481%0.8180%0.802SS**  trans-139.2135.6174.300000111.6
340A34.4Very low34.4Very low94 Ų94142.2 Ų142.278%0.77780%0.803SS**  trans-107.6164.7156.600000107.2
341K32.2Very low34.1Very low192 Ų192138.4 Ų138.484%0.83580%0.801SS**  cis-143.6-141.413.6-145.1163.4168.2-177.20106.5
342L32.2Very low33.8Very low132 Ų132135.2 Ų135.269%0.69180%0.798SS**  cis-158.61420.4-134.7178.2000109
343S29.2Very low34.2Very low102 Ų102136.6 Ų136.671%0.71380%0.804SS**  trans43.5127.6149.660.10000123.4
344S30.1Very low33.9Very low123 Ų123134 Ų13486%0.8680%0.801SS**  -144.6173.6116.265.10000110.2
345M33.7Very low34Very low162 Ų162133.3 Ų133.380%0.79879%0.794SS**  trans-89.3162.1-172.6-70.6-167.573.800111.7
346S32.8Very low33.7Very low112 Ų112128.5 Ų128.578%0.78380%0.797SS**  -160.9172.66360.20000118
347Q31.4Very low33.4Very low169 Ų169120.7 Ų120.779%0.7979%0.79SS**  trans-53.9173.1172.1-67.5158.3-30.900115.3
348A31.7Very low33.1Very low86 Ų86122.4 Ų122.471%0.71179%0.792SS**  cis178.6156.2-30.100000109.3
349A33Very low32.8Very low85 Ų85124.3 Ų124.370%0.70279%0.788SS**  trans60.9179.2163.900000115.7
350E27Very low33.4Very low188 Ų188123.9 Ų123.988%0.87978%0.777SS**  cis-160.9163.2-48.9-106.9168.979.900107.8
351A31.5Very low33.2Very low87 Ų87128.8 Ų128.872%0.71978%0.782SS**  cis-152-170.1-4.400000109.4
352A34.9Very low33Very low92 Ų92124 Ų12476%0.7677%0.772SS**  trans-78.2165.3165.900000111.8
353P45.2Very low32.8Very low132 Ų132127.3 Ų127.386%0.85778%0.777SS**  -146-173.992.239.1-22.2000115.4
354S32.6Very low32.7Very low114 Ų114128.7 Ų128.780%0.79778%0.776SS**  trans-100.5162.2-171.652.90000114.7
355A36.5Very low32.7Very low87 Ų87130.9 Ų130.972%0.71977%0.773SS**  161.9144.9111.900000116
356S32.2Very low33.3Very low132 Ų132128.9 Ų128.992%0.92377%0.772SS**  trans60.2130.2145.1-58.70000123.3
357G28.9Very low33.1Very low75 Ų75126.9 Ų126.977%0.77377%0.769SS**  trans-179.3152.916600000112.5
358L31.6Very low33.2Very low159 Ų159126.6 Ų126.683%0.83277%0.768SS**  trans-141.2130.4-168.6-79166.5000115.4
359K31Very low33.1Very low189 Ų189128.9 Ų128.982%0.82277%0.767SS**  trans64.9170.4144.6-74.5-175.3177.5-177.20119
360P49.5Very low32.9Very low89 Ų89133.4 Ų133.458%0.57877%0.772SS**  cis-136.3-161.3-36.634.6-13.5000113.8
361F30.4Very low33Very low198 Ų198128.9 Ų128.987%0.86876%0.761SS**  trans78.2166.4169.8-52.4-67.9000118.2
362S27.1Very low32.8Very low92 Ų92130.7 Ų130.764%0.64376%0.763SS**  -170.2160.8-53.2-150.90000112.1
363Y27.7Very low32.7Very low200 Ų200134.7 Ų134.778%0.78477%0.766SS**  trans69135.2159.8-85.4-76.1000124.2
364N27.4Very low32.7Very low131 Ų131133.6 Ų133.670%0.70176%0.759SS**  trans50.7122.6146.4-74.31.9000125.7
365Q29.7Very low32.3Very low170 Ų170137.3 Ų137.379%0.79476%0.761SS**  30.4162.7110.3-69.6-151.326.200122.6
366P47.3Very low32.1Very low119 Ų119139.2 Ų139.277%0.77376%0.763SS**  cis-126.5-164.1-6.529.1-5.6000113.2
367G28.5Very low31.8Very low71 Ų71140.7 Ų140.773%0.73276%0.755SS**  trans-112.2177.1-173.900000117.5
368Q34.2Very low31.8Very low162 Ų162142.1 Ų142.176%0.75776%0.759SS**  trans-161.6130.3165.1-84.3-85.6-30.200104.8
369L28.6Very low31.6Very low134 Ų134138.9 Ų138.970%0.70275%0.75SS**  91.8144.758.9-101.6172.7000114.9
370F29Very low31.5Very low180 Ų180135.4 Ų135.479%0.78975%0.75SS**  trans69.2153.7-178.6-53.5-81.4000118
371S29Very low30.5Very low94 Ų94136.4 Ų136.466%0.65776%0.759SS**  cis-174.7148.5-36.9-1570000110.2
372V27.1Very low30.5Very low125 Ų125135.3 Ų135.376%0.75876%0.76SS**  trans59.2131144.9157.40000118.1
373Q33.5Very low30.5Very low176 Ų176136.5 Ų136.582%0.82277%0.768SS**  cis-159.6-158.314.2-128-168.3-2.500112.4
374P44.4Very low30.5Very low109 Ų109133.5 Ų133.571%0.70877%0.771SS**  trans-111.5-178.8-145.846.5-35.8000115.9
375K25.6Very low30.6Very low192 Ų192132.2 Ų132.284%0.83578%0.779SS**  trans-165117137.8-154.6158.4179.8171.80117.5
376V30.6Very low30.6Very low126 Ų126130 Ų13076%0.76478%0.777SS**  trans66.8147142.3172.80000122.4
377E26.4Very low29.7Very low163 Ų163130.1 Ų130.176%0.76278%0.776SS**  trans-82.6174.4179.3-54.7150.878.900115.4
378A28.8Very low29.8Very low105 Ų105133 Ų13387%0.86877%0.774SS**  trans-143.313014500000110.2
379S27.4Very low29.7Very low92 Ų92133.2 Ų133.264%0.64378%0.775SS**  trans-138.4121.4-169.4-63.50000112.5
380S28.7Very low29.7Very low116 Ų116131.7 Ų131.781%0.81177%0.772SS**  trans-162.8118.3165.4-52.70000108
381S29.7Very low29.8Very low110 Ų110134.3 Ų134.377%0.76978%0.776SS**  cis92.4124.640.977.90000114.6
382I30Very low29.9Very low175 Ų175139.5 Ų139.590%0.89779%0.787SS**  trans-169.7152.3150.6-102.6160.3000107.8
383S27.9Very low30.1Very low116 Ų116141 Ų14181%0.81179%0.79SS**  trans-111.7170.8-151.7-51.80000116.4
384T27.8Very low29.9Very low137 Ų137140.9 Ų140.984%0.8479%0.791SS**  trans-66.7150.6174.351.30000115.1
385A28.8Very low29.2Very low104 Ų104144.1 Ų144.186%0.8680%0.797SS**  trans-148.9149.5147.100000110.4
386T29.6Very low29.5Very low125 Ų125139.3 Ų139.377%0.76779%0.787SS**  trans-109155.6-173.645.30000112.4
387T29.1Very low29.6Very low120 Ų120141.9 Ų141.974%0.73680%0.796SS**  166.5145.7110.240.20000115.1
388N29.5Very low29.7Very low131 Ų131143.8 Ų143.870%0.70180%0.802SS**  trans79.6123.2136.1-83.4-33.2000125.1
389Q31.2Very low29.8Very low168 Ų168147.3 Ų147.379%0.78581%0.805SS**  trans90.7151.3131.7-66-71.9-28.500120.5
390T30.6Very low29.8Very low102 Ų102146.4 Ų146.463%0.62681%0.81SS**  trans-150.3155.6-160.3-27.90000111.3
391W31Very low31Very low234 Ų234146.7 Ų146.789%0.88681%0.809SS**  trans66.3109.7164-59117.6000120.5
392K29.2Very low30.9Very low203 Ų203148.5 Ų148.588%0.88382%0.816SS**  -169.5154121.8-100.1163.9-175.3179.60106.8
393I32.2Very low31Very low158 Ų158147.1 Ų147.181%0.8181%0.81SS**  cis-127.9155.122.6-66.3170.6000110.7
394M29.3Very low31.8Very low172 Ų172147.7 Ų147.785%0.84781%0.811SS**  trans-108.9131.6167.1165.6-162.6-74.900109.1
395E30.9Very low31.9Very low177 Ų177146.8 Ų146.883%0.82781%0.805SS**  trans-173.1153.6152.8-99.9-169.2133.300108.2
396S30.7Very low31.9Very low91 Ų91150.4 Ų150.464%0.63680%0.804SS**  cis-172.1125.8-29.9-105.70000107.6
397L32.9Very low31.7Very low180 Ų180148.9 Ų148.994%0.94280%0.795SS**  trans-85.6127.7170.2-78.5167.6000110.2
398K28.1Very low31.5Very low204 Ų204151.6 Ų151.689%0.88780%0.797SS**  trans-142.8152.3162.2-75.5-165.6175.71790111.1
399L31.3Very low31.3Very low178 Ų178150.9 Ų150.993%0.93280%0.798SS**  trans-121.1128-170.5-96.2166.1000112.6
400G26.4Very low31.3Very low73 Ų73150.8 Ų150.875%0.75380%0.799SS**  trans60.9-172.115800000118.2
401P54.3Low31.3Very low122 Ų122150.5 Ų150.579%0.79280%0.801SS**  cis-124.6162.4-17.339.7-27.7000113
402T28.7Very low31.2Very low149 Ų149144.5 Ų144.591%0.91480%0.795SS**  trans-168.5153.21542.70000113.4
403N31.3Very low31.2Very low145 Ų145140.8 Ų140.878%0.77579%0.789SS**  trans-122.6153.1166.5-112.3-5.2000106.7
404P45.8Very low31.1Very low129 Ų129138.9 Ų138.984%0.83879%0.79SS**  -149.1179.293.838.2-19.2000116.9
405V29.1Very low31.4Very low118 Ų118135.2 Ų135.272%0.71579%0.787SS**  trans-87.6152.9-164.8178.50000114.6
406Q29Very low32Very low180 Ų180133 Ų13384%0.84179%0.788SS**  trans159.2159.4130.4-84.5177.333.300112.5
407T24.1Very low32.1Very low93 Ų93133.7 Ų133.757%0.57179%0.793SS**  cis-171170.7-33.7-77.70000108.3
408F25.3Very low32.3Very low176 Ų176129.5 Ų129.577%0.77278%0.778SS**  trans86.8115.6172.3-58.7-72.1000116
409T26.6Very low32.6Very low117 Ų117124.9 Ų124.972%0.71877%0.772SS**  76.6143.160.4660000114.8
410M30.6Very low32.7Very low165 Ų165122.4 Ų122.481%0.81376%0.764SS**  cis-166.9159-7.7-112.2-66-173.600110.7
411S29.9Very low32.9Very low96 Ų96124.7 Ų124.767%0.67176%0.764SS**  trans54.7126.5150.4-54.80000123.5
412S29.7Very low31.8Very low108 Ų108123 Ų12376%0.75576%0.755SS**  148.815398.463.90000119
413V29.9Very low31.9Very low125 Ų125122.2 Ų122.276%0.75875%0.75SS**  trans55.5104.6155.4-760000125.8
414S29.2Very low31.9Very low118 Ų118119.6 Ų119.683%0.82575%0.748SS**  64.5146117.773.40000124.7
415A34.9Very low31.2Very low96 Ų96119.3 Ų119.379%0.79374%0.744SS**  trans-131.8158.9163.300000110.9
416P44.9Very low31.2Very low129 Ų129120 Ų12084%0.83874%0.744SS**  trans-96.7166.1-170.737.5-36.3000116.1
417S31.9Very low31.3Very low107 Ų107118.2 Ų118.275%0.74874%0.74SS**  trans-88.9-178.4174.157.10000111.8
418S37Very low31.6Very low91 Ų91121.8 Ų121.864%0.63675%0.75SS**  cis-170.2157.140.5-420000114.6
419S35.7Very low31.8Very low107 Ų107124.5 Ų124.575%0.74876%0.757SS**  trans54.6143.2136.263.70000121.1
420T32.1Very low31.9Very low127 Ų127124.5 Ų124.578%0.77976%0.762SS**  cis-163.9-169.166.50000107.4
421T30.3Very low32.3Very low120 Ų120122.6 Ų122.674%0.73676%0.759SS**  cis-168.1162.86.210.80000105.3
422S32.1Very low32.4Very low87 Ų87125.7 Ų125.761%0.60877%0.767SS**  cis-176.5174.4-17.653.30000109
423T30.1Very low32.6Very low133 Ų133127.8 Ų127.882%0.81677%0.769SS**  trans58.6133.9156.750.90000120.1
424A32.8Very low32.7Very low89 Ų89129.4 Ų129.474%0.73677%0.773SS**  cis-163.5173.6-13.800000106.6
425V31Very low33.3Very low124 Ų124129.7 Ų129.775%0.75277%0.772SS**  cis-154144.230.1174.90000109.3
426N29.1Very low33.2Very low133 Ų133132.6 Ų132.671%0.71178%0.775SS**  trans20.2151155.1-61.332.2000122.1
427N30.4Very low32.8Very low142 Ų142134.5 Ų134.576%0.75978%0.777SS**  cis-142.9-176.235.2-135.427.7000113.8
428E29.8Very low33Very low168 Ų168138.2 Ų138.279%0.78578%0.782SS**  trans-101.1178.6-146.8-60.2174.1122.600118
429Y29.9Very low32.8Very low233 Ų233141.7 Ų141.791%0.91479%0.788SS**  trans-93159.7-168.4-53.1-100.5000114.7
430S29.6Very low32.6Very low116 Ų116144.5 Ų144.581%0.81179%0.787SS**  -175.5152.9112.1-163.50000113.7
431T38.6Very low32.7Very low125 Ų125147.6 Ų147.677%0.76779%0.79SS**  trans-90.3153.6169-41.50000110.6
432I32Very low32.8Very low161 Ų161147.5 Ų147.583%0.82679%0.791SS**  trans-161.1161.9153.1-107.9150.4000111.6
433N32.3Very low32.7Very low152 Ų152150.5 Ų150.581%0.81380%0.801SS**  trans-84167.3-173.1-68.5-66.9000114.7
434L32.5Very low32.7Very low160 Ų160151.1 Ų151.184%0.83880%0.797SS**  trans-58.4149.7147.8-72.364.5000109.3
435P42.4Very low32.7Very low124 Ų124152.7 Ų152.781%0.80580%0.803SS**  cis-137.6122.422.135.5-15.1000115
436D32.5Very low32.7Very low157 Ų157151.9 Ų151.984%0.8480%0.803SS**  trans-152109.3159.3-160.70.3000111.9
437L37.5Very low33.5Very low168 Ų168151.6 Ų151.688%0.8881%0.809SS**  trans-178.883.6166.4-114.7171000108.7
438H34.8Very low33.6Very low185 Ų185153.8 Ų153.886%0.85682%0.817SS**  trans-143.953-179.3-155-63.5000114.1
439E34.4Very low33.7Very low164 Ų164150.1 Ų150.177%0.76682%0.815SS**  trans-144.5153.3169.5-126.1172.3-15300111.2
440F29.8Very low33.6Very low166 Ų166148 Ų14873%0.72881%0.813SS**SBendtrans57.896-171.1-61-92.9000114.1
441F34.1Very low33.6Very low192 Ų192150.9 Ų150.984%0.84281%0.814SS**  cis-151.9168.439.4-85.5-82.7000111.8
442P33.9Very low33.1Very low118 Ų118149.5 Ų149.577%0.76681%0.809SS**  trans-85.2165.7-159.433-37.3000117.5
443N28.8Very low32.9Very low151 Ų151146.9 Ų146.981%0.80781%0.812SS**  trans-42.9168165.5-65.4-45.5000114.3
444I30.2Very low32.9Very low145 Ų145144 Ų14474%0.74481%0.809SS**  cis-147.9144.835.5-55.3159.1000112.3
445S32.3Very low34Very low122 Ų122141.8 Ų141.885%0.85380%0.804SS**  trans-120.1149.2150.2-70.10000108.8
446S33Very low33.5Very low108 Ų108145.1 Ų145.176%0.75581%0.809SS**  trans-153.7159.2177.7-76.90000112.1
447P45.8Very low33.2Very low127 Ų127140.8 Ų140.883%0.82580%0.801SS**  trans-116.4-166.1-153.641.1-28.4000115.2
448M31.8Very low32.9Very low188 Ų188138.6 Ų138.693%0.92680%0.8SS**  trans-70.6152.3-170.6-57.3160.861.400115.9
449A31.9Very low32.8Very low90 Ų90134.9 Ų134.974%0.74480%0.801SS**  trans-158.4140.1144.700000113.3
450E27.4Very low32.6Very low190 Ų190132.3 Ų132.389%0.88881%0.808SS**  trans45.4112.1145.1-62.9177.8141.400124.6
451E28.8Very low32.8Very low176 Ų176129 Ų12982%0.82281%0.811SS**  46.3130.1124.6-108.4-158.486.400126.6
452S30.1Very low33.6Very low96 Ų96124.9 Ų124.967%0.67180%0.804SS**  trans74.5143.9132.8-77.20000124.1
453A27.8Very low33.6Very low106 Ų106127.6 Ų127.688%0.87681%0.806SS**  trans80.5146.6158.600000121.4
454A31.4Very low33.8Very low92 Ų92127.6 Ų127.676%0.7681%0.812SS**  trans-145.6-177.5169.800000106.8
455P54.7Low33.8Very low112 Ų112123.8 Ų123.873%0.72781%0.809SS**  cis-125.6-178.9-14.941.1-27.2000112.5
456Q32Very low33.8Very low195 Ų195123.7 Ų123.791%0.91181%0.808SS**  trans164.7148.5133.1-93.9178.52100114.2
457G27.7Very low33.6Very low66 Ų66124.6 Ų124.668%0.6881%0.809SS**  99.1103.9122.800000121.4
458S29.9Very low33Very low122 Ų122127.8 Ų127.885%0.85381%0.81SS**  trans79.492.5132.4-55.20000122.4
459A32.3Very low33.8Very low106 Ų106124.1 Ų124.188%0.87680%0.8SS**  60.3115.511700000122.4
460A30.8Very low34.1Very low111 Ų111127.8 Ų127.892%0.91781%0.807SS**  trans-148.6151.213900000111.1
461A34.9Very low34.2Very low95 Ų95127.4 Ų127.479%0.78581%0.805SS**  trans-152178.7177.900000107
462P50.8Low34.1Very low107 Ų107125.5 Ų125.570%0.69580%0.8SS**  cis-151.1-169.416.845-23.5000118
463Q32.7Very low34.2Very low174 Ų174126.9 Ų126.981%0.81381%0.81SS**  trans73.4107.1155.3-64.9-173.234.200122
464T33.3Very low34.4Very low152 Ų152130.1 Ų130.193%0.93381%0.807SS**  170.5144.2119310000108.9
465G31Very low34.3Very low65 Ų65135.6 Ų135.667%0.6781%0.814SS**  cis-170.8128.8-1700000112.2
466S30.9Very low33Very low120 Ų120140.3 Ų140.384%0.83982%0.818SS**  trans49119.3164.956.90000122
467T30.6Very low32.9Very low127 Ų127137.6 Ų137.678%0.77981%0.814SS**  trans-96.3156.1163.3-540000111.2
468F32Very low32.9Very low194 Ų194140.7 Ų140.785%0.85182%0.815SS**  trans-139.6157.7153.1-89.8-81.1000112.3
469P49.5Very low34.7Very low110 Ų110140.4 Ų140.471%0.71481%0.81SS**  trans-120.9-164.1-158.745.2-33.8000116
470L37.3Very low35.7Very low167 Ų167140.6 Ų140.687%0.87480%0.802SS**  trans-63.1155.1178-66.470.4000114.6
471Q30.7Very low36.1Very low182 Ų182142.7 Ų142.785%0.8580%0.797SS**  trans-157.5165.9131.3-159.8143.220.800113.1
472D27Very low36.2Very low136 Ų136144.3 Ų144.373%0.72780%0.797SS**  trans-68.5159.8-175.4-47.7-99.8000116.7
473S31.2Very low35.5Very low126 Ų126145.6 Ų145.688%0.88180%0.798SS**  -174165.4121.1-84.90000114.8
474Q32.7Very low35.8Very low174 Ų174144.5 Ų144.581%0.81380%0.798SS**  trans-83.5163.5-177-55.7156.4-34.400112.8
475F29.6Very low35.9Very low207 Ų207145 Ų14591%0.90879%0.79SS**  -172.8174.9119.4-117.5-89.2000112.7
476R26.5Very low36.3Very low211 Ų211149.3 Ų149.380%0.79680%0.796SS**  trans-142.9146.1-174.3171.6-171.5-178.1-174.23.7110
477V30Very low37.3Very low137 Ų137148.4 Ų148.483%0.8379%0.787SS**  trans176147.1148.7141.10000110.4
478D28.4Very low37.6Very low131 Ų131148.7 Ų148.770%0.70178%0.784SS**  trans-108-145.3-176.8-58.1-80.8000112.6
479P65.9Low37.6Very low117 Ų117147.2 Ų147.276%0.7678%0.777SS**  -122.2-162.8-122.239.5-18.8000114.2
480P54.4Low36.8Very low109 Ų109145.3 Ų145.371%0.70877%0.766SS**  -147.8142.2123.435.9-20000117.5
481L37.9Very low36.4Very low156 Ų156142 Ų14282%0.81775%0.75SS**  49.6152.6124.8-47.3174.8000120.8
482V38.9Very low36.3Very low128 Ų128141.2 Ų141.278%0.77674%0.744SS**  cis-142.4166.525.3-79.80000114.3
483D35.1Very low36.5Very low134 Ų134139.7 Ų139.772%0.71774%0.74SS**  trans-32.7169.7170.3-49-78.2000119.2
484D39.6Very low36.5Very low151 Ų151140 Ų14081%0.80773%0.731SS**  cis-142.5-172.319.9-129.4-28.9000109.8
485E35.6Very low36.3Very low164 Ų164139.7 Ų139.777%0.76673%0.73SS**  cis-151.5149.613.9-170.5-169.4137.600110.2
486I39.4Very low37.1Very low155 Ų155134.6 Ų134.680%0.79572%0.717SS**  trans-146.4149.6163.3-24.5175.9000109.9
487P51.6Low37.3Very low101 Ų101131 Ų13166%0.65672%0.718SS**  -144.3172.3104.831.3-12000111.9
488D37Very low37.9Very low133 Ų133130.5 Ų130.571%0.71172%0.718SS**  cis-163.6166.63.6-129.423.1000105.8
489F32.1Very low37.9Very low162 Ų162127.8 Ų127.871%0.71172%0.721SS**  cis-168.5-175.9-14.6-141.31000105.9
490S32.3Very low36.4Very low70 Ų70128.9 Ų128.949%0.4973%0.726SS.*  cis-162.1138.5-4.6-146.50000109.7
491N28.4Very low35.3Very low99 Ų99130.5 Ų130.553%0.52973%0.728SS.*  49.3147.5127.4-65.1-20.4000123.6
492F28.5Very low35Very low164 Ų164129.6 Ų129.672%0.71972%0.724SS**  cis-161.9145.32.3-116.5-34.2000113.1
493T32Very low34.7Very low105 Ų105128.9 Ų128.964%0.64472%0.724SS**  trans25.5156.9136.250.80000123.1
494D31.5Very low34.7Very low132 Ų132130.4 Ų130.471%0.70673%0.732SS**  cis-160177.85.1-127.3-38.8000116
495H27.9Very low34.6Very low168 Ų168129.4 Ų129.478%0.77873%0.726SS**  trans-57.8-177175.6-75.8-64.1000119.5
496P45.8Very low34.8Very low100 Ų100129.9 Ų129.965%0.64973%0.731SS**  cis-148.5174.3-4343.3-25.9000118.3
497V30.7Very low34.9Very low135 Ų135129.6 Ų129.682%0.81873%0.731SS**  trans68155.9148.9170.40000119.2
498P43.8Very low34.4Very low127 Ų127133.7 Ų133.783%0.82574%0.741SS**  cis-120.2-179.4-26.636.5-20.3000114.6
499G27.9Very low34.3Very low74 Ų74136.2 Ų136.276%0.76375%0.746SS**  trans168.7156.3160.300000116.3
500T34.9Very low34.7Very low139 Ų139138.1 Ų138.185%0.85376%0.757SS**  trans-138.9156-179.1-29.50000112.1
501L30.2Very low34.9Very low144 Ų144142.6 Ų142.675%0.75478%0.775SS**  trans84.6119.4165-65.3167.1000120.1
502D32.1Very low35.5Very low136 Ų136144.8 Ų144.873%0.72779%0.787SS**  trans72143.3131.4-63.3-6.8000125.1
503S33Very low36Very low113 Ų113145.2 Ų145.279%0.7980%0.795SS**  trans79.7112.4156.6-56.70000119.7
504L34.7Very low36.1Very low167 Ų167147.7 Ų147.787%0.87481%0.805SS**  170.794.1127.3-90.1173.2000106.7
505N37.8Very low36.6Very low130 Ų130147 Ų14770%0.69581%0.807SS**  97.9131.189.6-168.632.4000110.8
506M39.8Very low36.8Very low174 Ų174151 Ų15186%0.85782%0.815SS**  trans-129.316.7-162.9-151.4178.474.900114.4E508M506-E508 VanDerWaalsContact C-N 3.28Å; M506-E508 PolarHBondContact O-N 2.7Å
507D40.7Very low36.2Very low148 Ų148154 Ų15479%0.79183%0.825SS**  trans-8830.5-175.2-60.8-28.7000113.8
508E42.2Very low36.4Very low188 Ų188156.1 Ų156.188%0.87983%0.828SS**SBendtrans-134.545.2-175.1-156.8178-178.200113.2M506M506-E508 VanDerWaalsContact C-N 3.28Å; M506-E508 PolarHBondContact O-N 2.7Å
509F34.8Very low35.8Very low185 Ų185154.9 Ų154.981%0.81182%0.823SS**SBendtrans-145.76.9171.9-144.1-103.4000117.5
510E39.1Very low35.9Very low202 Ų202160.3 Ų160.394%0.94483%0.828SS**SBendtrans-107.150.1176.7-70.3-153.1137.900114
511D37.5Very low35.6Very low164 Ų164157.5 Ų157.588%0.87783%0.827SS**SBendtrans-142.331174.8-149.98000113.9
512L41.3Very low35.6Very low146 Ų146154.4 Ų154.476%0.76483%0.83SS**SBendtrans-130.5-2.7-174.1-110.3171.1000116.7
513L38.2Very low35.5Very low172 Ų172153.7 Ų153.790%0.90184%0.836SS**  trans-137.969.5-176.8-72.2177.1000113.8
514N34.6Very low35.4Very low158 Ų158152.9 Ų152.985%0.84584%0.836SS**  trans-149.6116.2155.9-135.6-33.8000112.3
515P41.4Very low35.2Very low117 Ų117149.5 Ų149.576%0.7683%0.833SS**PPolyproline II helixtrans-84.5143-171.332.5-34.8000113.7
516R32Very low34.9Very low251 Ų251148.3 Ų148.395%0.94783%0.834SS**PPolyproline II helixtrans-81.3141.7175.2-77.5-169.5172.8-156.6-0.8113.3
517L34.7Very low34.5Very low164 Ų164147.7 Ų147.786%0.85983%0.831SS**PPolyproline II helixtrans-80.7166.1171.8-70.1167.2000113.3
518M33.3Very low34.1Very low179 Ų179147.8 Ų147.888%0.88283%0.831SS**  trans-111.7130.7172.8-79.3-81.9103.200111
519S31Very low33.6Very low102 Ų102144 Ų14471%0.71382%0.821SS**  trans61.3149.1179.2-133.60000115
520E30.8Very low33.4Very low187 Ų187139.4 Ų139.487%0.87481%0.812SS**  cis-139.5171.17.6-153.3151.413000110
521G29.4Very low33.1Very low80 Ų80134.9 Ų134.983%0.82580%0.802SS**  trans-95.7156.7-166.300000117
522G29Very low33.1Very low80 Ų80134.7 Ų134.783%0.82580%0.796SS**  trans171.890.117200000117.7
523S30.8Very low32.9Very low120 Ų120135.3 Ų135.384%0.83980%0.795SS**  trans10.7122.7158.2-57.40000124.2
524A29.8Very low32.5Very low97 Ų97130.2 Ų130.280%0.80278%0.784SS**  84.4134123.900000124.2
525A31.3Very low32.4Very low96 Ų96128.7 Ų128.779%0.79378%0.78SS**  trans68.7151.4152.300000119.6
526S32.2Very low32Very low104 Ų104130.3 Ų130.373%0.72778%0.781SS**  cis-169.7147.1-19.8-98.90000112.4
527M31Very low32.1Very low161 Ų161122.8 Ų122.879%0.79377%0.767SS**  trans70.5124.4146.6-72.5-175.6177.400124.4
528L32.1Very low32Very low150 Ų150120.3 Ų120.379%0.78576%0.764SS**  72.1152.9126.3-63.7177.1000120.7
529T30.7Very low31.9Very low110 Ų110117 Ų11768%0.67576%0.758SS**  cis-168.9158.3-3.2171.80000112.9
530S31.8Very low32.1Very low88 Ų88116.6 Ų116.662%0.61576%0.761SS**  trans51130.8151.651.10000121.7
531S32.5Very low32Very low106 Ų106112.4 Ų112.474%0.74176%0.759SS**  cis72.9146.244.882.50000114.8
532Q38.2Very low32.1Very low161 Ų161112.9 Ų112.975%0.75275%0.754SS**  cis-166.2178.31.9-131.6-173.280.900108
533Q36Very low32.2Very low159 Ų159114 Ų11474%0.74375%0.75SS**  cis-168160.6-3.1-159.8-152.310100110.9
534G30.1Very low32.3Very low65 Ų65116 Ų11667%0.6775%0.746SS**  trans88.4168.5152.200000120.1
535V32.8Very low32.3Very low126 Ų126118.4 Ų118.476%0.76475%0.745SS**  cis-167.9145.7-13.8106.50000114.1
536L33.3Very low32.2Very low150 Ų150117.6 Ų117.679%0.78575%0.747SS**  trans61.3123.7155.6-65174.2000127.1
537S32.6Very low32.1Very low93 Ų93117.5 Ų117.565%0.6575%0.752SS**  81124.9120.8-64.80000127.3
538S32.7Very low32.1Very low112 Ų112114.3 Ų114.378%0.78375%0.751SS**  trans66.5168.1135.174.60000119.1
539S32.8Very low32Very low110 Ų110111.6 Ų111.677%0.76975%0.745SS**  cis-178.6157.2-3257.20000108.6
540A33.5Very low32.1Very low94 Ų94113.9 Ų113.978%0.77775%0.748SS**  cis-174.9-174-20.700000109.3
541A30Very low31.9Very low99 Ų99116 Ų11682%0.81875%0.752SS**  trans80.9124.6159.700000122.6
542A30.7Very low31.7Very low89 Ų89117.9 Ų117.974%0.73675%0.753SS**  trans85.1119.6130.400000124.2
543S30.4Very low31.4Very low104 Ų104114.8 Ų114.873%0.72775%0.749SS**  102.7119.7120.871.10000123.5
544Q33.5Very low31.2Very low161 Ų161114.4 Ų114.475%0.75275%0.752SS**  84.4135.1128.9-83-17136.900124.4
545N30.8Very low31.3Very low148 Ų148119.4 Ų119.479%0.79176%0.758SS**  trans71.8151.2145.3-56.4-20.2000121.2
546G27.9Very low31.2Very low80 Ų80120.8 Ų120.883%0.82576%0.76SS**  trans139121.6165.500000113
547A29.9Very low31Very low102 Ų102121.1 Ų121.184%0.84376%0.762SS**  trans-135.3158.7-177.500000113.6
548A31.1Very low30.8Very low94 Ų94124.3 Ų124.378%0.77777%0.772SS**  trans88.2144.1147.400000121.9
549S31Very low31.1Very low93 Ų93124.8 Ų124.865%0.6577%0.772SS**  trans96.4106.7137.9-68.90000123.3
550Q32.3Very low31.1Very low158 Ų158123.4 Ų123.474%0.73878%0.775SS**  82.4123.7115.3-69.1-176.735.800123.7
551N27.7Very low31.1Very low131 Ų131123.5 Ų123.570%0.70177%0.77SS**  89.7138.1124.7-79.3-28.4000125.2
552L29.2Very low31.5Very low147 Ų147125.9 Ų125.977%0.7778%0.775SS**  trans99.9114.4136.4-112.173.3000124.3
553S31.8Very low32Very low95 Ų95131.5 Ų131.566%0.66478%0.779SS**  trans62.8117.4130.760.80000125
554D30.7Very low32.6Very low151 Ų151134.1 Ų134.181%0.80778%0.781SS**  trans1.6146.3143.2-54.4-53.3000123.2
555H31.8Very low33Very low171 Ų171134.1 Ų134.179%0.79279%0.786SS**  -169.8133.8124.5-111.3-76.9000116.1
556I31.5Very low33.9Very low155 Ų155134.1 Ų134.180%0.79578%0.777SS**  trans72.2146.2148.4-74.8162.2000122.1
557N29.8Very low35.5Very low157 Ų157134.2 Ų134.284%0.8476%0.762SS**  trans-80.1155.8-174.7-68.2-40.8000115.9
558N27.3Very low36.6Very low159 Ų159135.5 Ų135.585%0.8576%0.755SS**  trans-144.8145.6138.2-151.726.7000108.9
559P39.6Very low37.7Very low122 Ų122135.4 Ų135.479%0.79275%0.749SS**  trans-94.2145.7-16635.4-32.3000113.8
560G32.9Very low38.8Very low81 Ų81134.5 Ų134.584%0.83574%0.736SS**  trans135.260.5159.600000118
561S33.3Very low40Very low96 Ų96128.8 Ų128.867%0.67172%0.715SS**  trans-156.5138.3151.4-165.60000111.1Y563S561-Y563 WeakPolarHBondContact OG-CD2 3.26Å
562T38.6Very low41.2Very low150 Ų150127 Ų12792%0.9271%0.706SS**  trans-101.592.8176.8-56.70000109.2
563Y40.6Very low42.5Very low206 Ų206125.6 Ų125.681%0.80870%0.699SS**  trans-107.3145168.6-94.9-94.6000110.9S561 N565S561-Y563 WeakPolarHBondContact OG-CD2 3.26Å; Y563-N565 PolarHBondContact O-N 2.96Å
564M42.6Very low43.4Very low159 Ų159125.6 Ų125.678%0.78369%0.691SS**  trans-66.8126.9-178.2-67.9-75.6-91.900110.4Y566M564-Y566 WeakPolarHBondContact O-CD2 3.47Å; M564-Y566 PolarHBondContact O-N 2.6Å
565N41.8Very low44.3Very low161 Ų161126.9 Ų126.986%0.86168%0.684SS**  trans-84.8109.5-177.8-163.32.3000110.2Y563Y563-N565 PolarHBondContact O-N 2.96Å
566Y50.5Low45Very low149 Ų149123.6 Ų123.658%0.58467%0.673SS**  trans-85.5146.3-179.4-72.2-81.7000111.8M564 I570M564-Y566 WeakPolarHBondContact O-CD2 3.47Å; M564-Y566 PolarHBondContact O-N 2.6Å; Y566-I570 HydrophobicContact CD1-CD1 4.12Å; Y566-I570 HydrophobicContact CD1-CG2 4.41Å
567P61.7Low45.7Very low81 Ų81122.3 Ų122.353%0.52666%0.663SS.*  trans-56.6143.7171.3-2534.6000112.6S569 I570 A571P567-S569 PolarHBondContact O-N 3.27Å; P567-I570 PolarHBondContact O-N 3.28Å; P567-A571 PolarHBondContact O-N 2.88Å
568N53.5Low46.3Very low130 Ų130120.1 Ų120.170%0.69565%0.652SS**Hα-helixtrans-54-25.4-175.9-67.3-16.7000114.6I570 A571 N572N568-I570 VanDerWaalsContact C-N 3.32Å; N568-I570 PolarHBondContact O-N 3.23Å; N568-A571 PolarHBondContact O-N 2.89Å; N568-N572 WeakPolarHBondContact O-CB 3.14Å; N568-N572 PolarHBondContact O-N 3Å
569S53.3Low47.1Very low92 Ų92118.6 Ų118.664%0.64364%0.641SS**Hα-helixtrans-62.6-34.6173.947.30000113.4P567 L573P567-S569 PolarHBondContact O-N 3.27Å; S569-L573 PolarHBondContact O-N 2.89Å
570I54.3Low47.2Very low74 Ų74118.9 Ų118.938%0.37963%0.634SS.*Hα-helixtrans-80.2-39.9177.7-59.7179.6000110.2Y566 P567 N568 N572 L573 L574Y566-I570 HydrophobicContact CD1-CD1 4.12Å; Y566-I570 HydrophobicContact CD1-CG2 4.41Å; P567-I570 PolarHBondContact O-N 3.28Å; N568-I570 VanDerWaalsContact C-N 3.32Å; N568-I570 PolarHBondContact O-N 3.23Å; I570-N572 VanDerWaalsContact C-N 3.31Å; I570-N572 PolarHBondContact O-N 3.07Å; I570-L573 PolarHBondContact O-N 3.29Å; I570-L573 VanDerWaalsContact O-N 3.13Å; I570-L574 HydrophobicContact CG2-CD1 4.25Å; I570-L574 PolarHBondContact O-N 3.13Å; I570-L574 VanDerWaalsContact O-N 3.08Å
571A57.1Low47.5Very low37 Ų37120.9 Ų120.931%0.30663%0.63SS.*Hα-helixtrans-61.3-38.5175.500000112.6P567 N568 R575P567-A571 PolarHBondContact O-N 2.88Å; N568-A571 PolarHBondContact O-N 2.89Å; A571-R575 WeakPolarHBondContact O-CG 3.35Å; A571-R575 PolarHBondContact O-N 3.32Å
572N54Low47.6Very low95 Ų95123.4 Ų123.451%0.50864%0.635SS.*Hα-helixtrans-72.8-27.3174.4-74.7-5.3000113.2N568 I570 N576N568-N572 WeakPolarHBondContact O-CB 3.14Å; N568-N572 PolarHBondContact O-N 3Å; I570-N572 VanDerWaalsContact C-N 3.31Å; I570-N572 PolarHBondContact O-N 3.07Å; N572-N576 PolarHBondContact O-N 3.47Å
573L56.3Low47.5Very low116 Ų116119.8 Ų119.861%0.60762%0.62SS**Hα-helixtrans-69.7-47.8175.3-166.771.3000110.8S569 I570 R575 N576 E577S569-L573 PolarHBondContact O-N 2.89Å; I570-L573 PolarHBondContact O-N 3.29Å; I570-L573 VanDerWaalsContact O-N 3.13Å; L573-R575 PolarHBondContact O-N 3.33Å; L573-N576 WeakPolarHBondContact O-CB 3.46Å; L573-N576 PolarHBondContact O-N 3.47Å; L573-N576 VanDerWaalsContact O-N 3.09Å; L573-E577 PolarHBondContact O-N 3.33Å
574L50.5Low47.3Very low95 Ų95114.8 Ų114.850%0.49762%0.616SS.*Hα-helixtrans-60.9-45.6178-68.5166.7000111.8I570 N576 E577 D578I570-L574 HydrophobicContact CG2-CD1 4.25Å; I570-L574 PolarHBondContact O-N 3.13Å; I570-L574 VanDerWaalsContact O-N 3.08Å; L574-N576 PolarHBondContact O-N 2.84Å; L574-E577 PolarHBondContact O-N 3.27Å; L574-E577 VanDerWaalsContact O-N 3.14Å; L574-D578 PolarHBondContact O-N 3.4Å
575R49Very low46.9Very low178 Ų178112.4 Ų112.467%0.67262%0.615SS**Hα-helixtrans-60.3-25.1174.6-76.3-178.8175.7-168.7-0.9114.1A571 L573 M579A571-R575 WeakPolarHBondContact O-CG 3.35Å; A571-R575 PolarHBondContact O-N 3.32Å; L573-R575 PolarHBondContact O-N 3.33Å; R575-M579 PolarHBondContact O-N 3.49Å
576N47.2Very low46.3Very low103 Ų103111.9 Ų111.955%0.55161%0.612SS**Hα-helixtrans-83-28.7177.6-76.5-4000112.5N572 L573 L574 I580N572-N576 PolarHBondContact O-N 3.47Å; L573-N576 WeakPolarHBondContact O-CB 3.46Å; L573-N576 PolarHBondContact O-N 3.47Å; L573-N576 VanDerWaalsContact O-N 3.09Å; L574-N576 PolarHBondContact O-N 2.84Å; N576-I580 WeakPolarHBondContact O-CG1 3.42Å; N576-I580 PolarHBondContact O-N 3.16Å
577E46.5Very low45.2Very low127 Ų127110.7 Ų110.759%0.59362%0.616SS**Hα-helixtrans-69.5-43.8171.6-67.8-163.3120.700111.3L573 L574 M579 I580 V581L573-E577 PolarHBondContact O-N 3.33Å; L574-E577 PolarHBondContact O-N 3.27Å; L574-E577 VanDerWaalsContact O-N 3.14Å; E577-M579 PolarHBondContact O-N 3.46Å; E577-I580 PolarHBondContact O-N 3.37Å; E577-V581 PolarHBondContact O-N 3.14Å
578D41.7Very low43.6Very low112 Ų112113.5 Ų113.560%0.59963%0.626SS**Hα-helixtrans-57.5-32.5175.6-72.1-35.7000112.8L574L574-D578 PolarHBondContact O-N 3.4Å
579M43.3Very low42.6Very low126 Ų126111.7 Ų111.762%0.62162%0.624SS**Hα-helixtrans-76-22176.2-92.7-100.751.600114.3R575 E577R575-M579 PolarHBondContact O-N 3.49Å; E577-M579 PolarHBondContact O-N 3.46Å
580I42.2Very low41.4Very low129 Ų129116.2 Ų116.266%0.66264%0.635SS**Hα-helixtrans-81.9-36.4177.6-68.7167.7000110.6N576 E577 A583N576-I580 WeakPolarHBondContact O-CG1 3.42Å; N576-I580 PolarHBondContact O-N 3.16Å; E577-I580 PolarHBondContact O-N 3.37Å; I580-A583 PolarHBondContact O-N 3.09Å
581V39.5Very low40.3Very low123 Ų123120.7 Ų120.775%0.74565%0.654SS**Hα-helixtrans-70.2-33.1-179.3-179.80000112.5E577 A583E577-V581 PolarHBondContact O-N 3.14Å; V581-A583 VanDerWaalsContact C-N 3.32Å; V581-A583 PolarHBondContact O-N 3.21Å
582L36.2Very low39.5Very low149 Ų149124.9 Ų124.978%0.7868%0.678SS**THydrogen-bonded Turntrans-80.5-4.1-179.7-86.5162.1000115S584L582-S584 PolarHBondContact O-N 3.07Å
583A35.6Very low38.3Very low73 Ų73123.6 Ų123.660%0.60368%0.681SS**THydrogen-bonded Turntrans-90.114.9-174.100000114.9I580 V581I580-A583 PolarHBondContact O-N 3.09Å; V581-A583 VanDerWaalsContact C-N 3.32Å; V581-A583 PolarHBondContact O-N 3.21Å
584S36.5Very low37Very low102 Ų102124.3 Ų124.371%0.71369%0.69SS**SBendtrans-150.154.4-173.9-69.10000114.5L582L582-S584 PolarHBondContact O-N 3.07Å
585S33.7Very low36.1Very low109 Ų109128.2 Ų128.276%0.76271%0.71SS**  trans-156.476.4168.2-79.60000114.1
586N29.2Very low35.3Very low150 Ų150127.2 Ų127.280%0.80272%0.718SS**  trans172.1133.3152.9-95.6-28.5000109
587N28.3Very low35Very low124 Ų124128.7 Ų128.766%0.66373%0.726SS**  cis-151.6148.3-4-138.8-21.5000112.7
588N28.5Very low34.5Very low139 Ų139132.3 Ų132.374%0.74374%0.74SS**  trans-19.2165.1154.7-72.1-59.3000119.9
589S31.4Very low34.3Very low92 Ų92134.7 Ų134.764%0.64375%0.753SS**  cis-170.5169.5-15.357.40000108
590Q29Very low34.4Very low188 Ų188134.8 Ų134.888%0.87976%0.76SS**  -161.1169.171.3-84.2-171.2-25.600113.9
591Q30.6Very low34.3Very low167 Ų167136.5 Ų136.578%0.7877%0.77SS**  trans-82.6-165.6-179.8-119.61804.100111.8
592P40.7Very low34.4Very low125 Ų125138.6 Ų138.681%0.81277%0.774SS**  cis-78.8-179.86.233.6-38.2000114.2
593A28.6Very low34.7Very low69 Ų69136.3 Ų136.357%0.5777%0.77SS**  cis-172.1-166.8-30.400000105.7
594V28.5Very low34.9Very low130 Ų130137.1 Ų137.179%0.78878%0.776SS**  cis-143.21602.5-169.70000106.8
595L32.2Very low35.3Very low177 Ų177138.1 Ų138.193%0.92777%0.774SS**  trans-141.5153.4167-79176.3000111.6
596D31.4Very low35.7Very low157 Ų157140.3 Ų140.384%0.8477%0.772SS**  trans-133167.1-172.7-164.28.8000110.9
597D42Very low36.3Very low134 Ų134139.4 Ų139.472%0.71777%0.767SS**SBendtrans-62.8130.4-161.2-90.3-37.5000117
598F36.1Very low37.1Very low204 Ų204142.9 Ų142.990%0.89577%0.771SS**  trans-163.516.8139.3-140.2-103.4000119.2
599D37.9Very low37.7Very low162 Ų162142.1 Ų142.187%0.86677%0.767SS**  trans-131.935.9-169.8-134-12.8000116.6
600V43.7Very low38.3Very low128 Ų128143.9 Ų143.978%0.77677%0.767SS**  trans-123.947-179.6-161.10000112.6
601L41.3Very low38.8Very low165 Ų165139.8 Ų139.886%0.86476%0.76SS**SBendtrans-134.210.4-179.1-102176.5000117.4
602M41.2Very low39.4Very low167 Ų167137.5 Ų137.582%0.82375%0.751SS**SBendtrans-121.1-9.8174.7-73.2-56-43.400115.8A604M602-A604 PolarHBondContact O-N 2.92Å
603S42.4Very low39.4Very low100 Ų100140.7 Ų140.770%0.69975%0.753SS**THydrogen-bonded Turntrans-87.21.3-171.2-164.60000115.6
604A40.6Very low40Very low90 Ų90145 Ų14574%0.74477%0.766SS**THydrogen-bonded Turntrans-91.9-11.5-166.900000115.9M602M602-A604 PolarHBondContact O-N 2.92Å
605D44.4Very low40.2Very low124 Ų124143.4 Ų143.466%0.66376%0.761SS**SBendtrans-104.8-16.9-171.7-105.6-19.7000115
606E42Very low40.3Very low155 Ų155138.8 Ų138.872%0.72476%0.756SS**SBendtrans-75.5-41.4-179-67.3-161.3101.400112.9R608 L609E606-R608 PolarHBondContact O-N 3.34Å; E606-R608 VanDerWaalsContact O-N 3.09Å; E606-L609 PolarHBondContact O-N 3.05Å; E606-L609 VanDerWaalsContact O-N 3.14Å
607D42.1Very low40.4Very low131 Ų131137 Ų13770%0.70176%0.756SS**Hα-helixtrans-60.2-24.1179.5-79.5-37000113.3L609D607-L609 VanDerWaalsContact C-N 3.34Å; D607-L609 PolarHBondContact O-N 3.28Å
608R45.1Very low40Very low197 Ų197140 Ų14074%0.74377%0.765SS**Hα-helixtrans-78.1-17.5-177.9-140173.3-169.2171.24.3113.7E606E606-R608 PolarHBondContact O-N 3.34Å; E606-R608 VanDerWaalsContact O-N 3.09Å
609L41Very low39.9Very low123 Ų123134.9 Ų134.964%0.64476%0.761SS**Hα-helixtrans-88.1-25.3179.2-76.9164.3000113.4E606 D607 S611E606-L609 PolarHBondContact O-N 3.05Å; E606-L609 VanDerWaalsContact O-N 3.14Å; D607-L609 VanDerWaalsContact C-N 3.34Å; D607-L609 PolarHBondContact O-N 3.28Å; L609-S611 VanDerWaalsContact C-N 3.3Å; L609-S611 PolarHBondContact O-N 3.27Å
610I43.7Very low39.7Very low129 Ų129130.9 Ų130.966%0.66276%0.758SS**Hα-helixtrans-74.3-21.1-175.1-61.3178.4000112.3I612I610-I612 VanDerWaalsContact C-N 3.32Å; I610-I612 PolarHBondContact O-N 3.17Å
611S39.7Very low39.1Very low102 Ų102134 Ų13471%0.71376%0.762SS**G310 helixtrans-71.8-18-179.5-165.60000114.8L609L609-S611 VanDerWaalsContact C-N 3.3Å; L609-S611 PolarHBondContact O-N 3.27Å
612I43.8Very low38.8Very low119 Ų119132.8 Ų132.861%0.6176%0.761SS**G310 helixtrans-87.7-17.7-166.5-64.7177000113.7I610I610-I612 VanDerWaalsContact C-N 3.32Å; I610-I612 PolarHBondContact O-N 3.17Å
613F39.1Very low38.5Very low191 Ų191130.1 Ų130.184%0.83876%0.759SS**G310 helixtrans-99.42.6-171.1-92-80.4000116.5
614N42.4Very low37.9Very low161 Ų161129 Ų12986%0.86176%0.763SS**  trans-122.236.4-168.6-114.7-9.2000115.3
615S32.9Very low37.5Very low95 Ų95133.2 Ų133.266%0.66477%0.767SS**  trans-12065.4178.6480000112.8S617S615-S617 PolarHBondContact O-N 3.36Å
616G32.9Very low37.7Very low81 Ų81132.9 Ų132.984%0.83577%0.771SS**  trans-7292.2175.600000113.3Q618G616-Q618 PolarHBondContact O-N 2.69Å
617S34Very low37.6Very low120 Ų120134.6 Ų134.684%0.83979%0.793SS**  trans-68116.6177.7-59.10000112.9S615S615-S617 PolarHBondContact O-N 3.36Å
618Q34.6Very low37.4Very low195 Ų195134.8 Ų134.891%0.91180%0.797SS**  trans-73.3140161.2-73.6-166.9-4.800110.5G616G616-Q618 PolarHBondContact O-N 2.69Å
619A33.2Very low37Very low97 Ų97131.5 Ų131.580%0.80280%0.8SS**  trans-87.9112.3174.500000111.1
620G32.9Very low36.8Very low78 Ų78131.9 Ų131.980%0.80481%0.809SS**  trans-82.2150.7164.900000111.8
621F32.6Very low36.4Very low195 Ų195132.1 Ų132.186%0.85582%0.817SS**  trans-113.6159.3-176.6-114.8-90.4000112
622V34.7Very low36.2Very low138 Ų138134 Ų13484%0.83682%0.824SS**  trans61.4148.9175.3-105.40000116.5
623S34.9Very low35.7Very low112 Ų112135 Ų13578%0.78384%0.838SS**  cis-156.6156.5-0.967.20000112.7
624G29.2Very low35.4Very low77 Ų77131 Ų13179%0.79484%0.838SS**  trans106.3122.7140.800000120.2
625H32.3Very low34.9Very low177 Ų177128.7 Ų128.782%0.81984%0.837SS**  trans-78.2173.5144-102.7-72.6000109
626P48.2Very low35Very low117 Ų117131.5 Ų131.576%0.7685%0.851SS**  cis-119-169.713.838.7-19.6000112
627T41.2Very low35.2Very low191 Ų191136.1 Ų136.1100%1.17285%0.852SS**  cis-134.3015.453.70000112.2

Retrieved 627 of 627 residues in 210.1 ms (Link to these results)

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