A0A077KA19_MOUSE Loading...

CD200 molecule like 2

AlphaFold DB , UniProt , Accession A0A077KA19, Species MOUSE (Mus musculus, Mouse), Gene Cd200l2, Length 320 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
1M60.2Low65.7Low208 Ų208131.5 Ų131.5100%1.02567%0.665SS**  06.10-153172.173.500111.4
2D68.2Low65.4Low125 Ų125131.8 Ų131.867%0.66867%0.668SS**Hα-helixtrans-92.1-21.2-169.4-50.6-66.4000114.4L5 H6D2-L5 PolarHBondContact O-N 3.42Å; D2-H6 PolarHBondContact O-N 3.45Å
3F67.1Low64.9Low187 Ų187132.9 Ų132.982%0.8267%0.672SS**Hα-helixtrans-68.9-35.8178.5-106.9-86.6000113.2H6 C7F3-H6 PolarHBondContact O-N 3.22Å; F3-C7 PolarHBondContact O-N 3.15Å
4L69.8Low63.7Low128 Ų128132.3 Ų132.367%0.6767%0.67SS**Hα-helixtrans-68.3-36.9177.3-105.4160.2000111.6H6 C7 I8L4-H6 VanDerWaalsContact C-N 3.35Å; L4-H6 PolarHBondContact O-N 3.34Å; L4-C7 PolarHBondContact O-N 3.4Å; L4-I8 WeakPolarHBondContact O-CG1 3.01Å; L4-I8 PolarHBondContact O-N 3.34Å
5L69.5Low63.2Low125 Ų125130.3 Ų130.365%0.65467%0.67SS**Hα-helixtrans-66.5-38.1179.1-150.778.7000111.5D2 I8 L9D2-L5 PolarHBondContact O-N 3.42Å; L5-I8 PolarHBondContact O-N 3.38Å; L5-L9 PolarHBondContact O-N 3Å; L5-L9 VanDerWaalsContact O-N 3.09Å
6H65.1Low62.9Low126 Ų126129.6 Ų129.658%0.58368%0.677SS**Hα-helixtrans-66.5-37.3176.2-109.575.1000113.1D2 F3 L4 L9 H10D2-H6 PolarHBondContact O-N 3.45Å; F3-H6 PolarHBondContact O-N 3.22Å; L4-H6 VanDerWaalsContact C-N 3.35Å; L4-H6 PolarHBondContact O-N 3.34Å; H6-L9 PolarHBondContact O-N 3.12Å; H6-H10 PolarHBondContact O-N 2.96Å
7C66.8Low62Low76 Ų76128.9 Ų128.951%0.51468%0.683SS.*Hα-helixtrans-66.7-40.6176-79.10000112.4F3 L4 L9 H10 L11F3-C7 PolarHBondContact O-N 3.15Å; L4-C7 PolarHBondContact O-N 3.4Å; C7-L9 VanDerWaalsContact C-N 3.34Å; C7-H10 PolarHBondContact O-N 3.03Å; C7-L11 PolarHBondContact O-N 3.08Å; C7-L11 VanDerWaalsContact O-N 3.15Å
8I70.7Confident61.3Low95 Ų95126.8 Ų126.849%0.48769%0.688SS.*Hα-helixtrans-66.3-39.8178.3-63.3165.8000110.4L4 L5 H10 L11 L12L4-I8 WeakPolarHBondContact O-CG1 3.01Å; L4-I8 PolarHBondContact O-N 3.34Å; L5-I8 PolarHBondContact O-N 3.38Å; I8-H10 PolarHBondContact O-N 3.36Å; I8-L11 PolarHBondContact O-N 3.24Å; I8-L12 HydrophobicContact CG2-CD1 4.26Å; I8-L12 PolarHBondContact O-N 3.31Å
9L65.9Low60.6Low110 Ų110129.5 Ų129.558%0.57670%0.695SS**Hα-helixtrans-65.7-38.2177.4-154.575.4000111.8L5 H6 C7 L12 M13L5-L9 PolarHBondContact O-N 3Å; L5-L9 VanDerWaalsContact O-N 3.09Å; H6-L9 PolarHBondContact O-N 3.12Å; C7-L9 VanDerWaalsContact C-N 3.34Å; L9-L12 PolarHBondContact O-N 2.89Å; L9-M13 VanDerWaalsContact O-CG 3.25Å; L9-M13 WeakPolarHBondContact O-CG 3.48Å; L9-M13 PolarHBondContact O-N 2.85Å
10H60.9Low59.7Low140 Ų140132.4 Ų132.465%0.64870%0.704SS**Hα-helixtrans-66.8-34.7176.1-102.8-75.7000113.7H6 C7 I8 L12 M13H6-H10 PolarHBondContact O-N 2.96Å; C7-H10 PolarHBondContact O-N 3.03Å; I8-H10 PolarHBondContact O-N 3.36Å; H10-L12 VanDerWaalsContact C-N 3.34Å; H10-M13 PolarHBondContact O-N 3.36Å
11L58.6Low58.9Low127 Ų127131.1 Ų131.167%0.66571%0.706SS**Hα-helixtrans-68.5-32174.8-91.1148.6000112.6C7 I8 M13C7-L11 PolarHBondContact O-N 3.08Å; C7-L11 VanDerWaalsContact O-N 3.15Å; I8-L11 PolarHBondContact O-N 3.24Å; L11-M13 VanDerWaalsContact C-N 3.32Å
12L62.2Low58.2Low134 Ų134124.1 Ų124.170%0.70269%0.687SS**Hα-helixtrans-75-19.4174.6-84.3157.4000113.6I8 L9 H10I8-L12 HydrophobicContact CG2-CD1 4.26Å; I8-L12 PolarHBondContact O-N 3.31Å; L9-L12 PolarHBondContact O-N 2.89Å; H10-L12 VanDerWaalsContact C-N 3.34Å
13M58.4Low57.3Low147 Ų147123.5 Ų123.572%0.72469%0.693SS**THydrogen-bonded Turntrans-91.91.1179.4-65.5-66.9-80.600113.5L9 H10 L11 P15L9-M13 VanDerWaalsContact O-CG 3.25Å; L9-M13 WeakPolarHBondContact O-CG 3.48Å; L9-M13 PolarHBondContact O-N 2.85Å; H10-M13 PolarHBondContact O-N 3.36Å; L11-M13 VanDerWaalsContact C-N 3.32Å; M13-P15 WeakPolarHBondContact O-CD 3.49Å
14L49.2Very low56.6Low124 Ų124122.5 Ų122.565%0.64970%0.695SS**SBendtrans-71109.1163.4-76.1166.6000106.8
15P55.9Low56.1Low103 Ų103122 Ų12267%0.66969%0.689SS**  trans-57.3132.4172.8-1025.5000105.4M13 C17M13-P15 WeakPolarHBondContact O-CD 3.49Å; P15-C17 PolarHBondContact O-N 2.92Å
16P57.4Low56.7Low119 Ų119122 Ų12277%0.77368%0.681SS**  trans-52.1117.2164.6-13.224.5000104.1A18P16-A18 PolarHBondContact O-N 3.22Å
17C48.4Very low57.9Low117 Ų117116.5 Ų116.579%0.79166%0.655SS**  trans-53.2100.2163.1-91.10000103.4P15 Q19P15-C17 PolarHBondContact O-N 2.92Å; C17-Q19 PolarHBondContact O-N 3.48Å
18A49.8Very low59Low92 Ų92119.9 Ų119.976%0.7666%0.657SS**  trans-59.593.916300000101.6P16 E20P16-A18 PolarHBondContact O-N 3.22Å; A18-E20 PolarHBondContact O-N 3.43Å
19Q47Very low60.2Low178 Ų178117.2 Ų117.283%0.83264%0.643SS**  trans-55.397.3163.7-79.3177.5-66.300102.6C17 S21C17-Q19 PolarHBondContact O-N 3.48Å; Q19-S21 PolarHBondContact O-N 2.91Å
20E42.3Very low61.6Low186 Ų186117.5 Ų117.587%0.86964%0.639SS**  trans-45.3104.1162-161.1166.1-150.200103.1A18 G22A18-E20 PolarHBondContact O-N 3.43Å; E20-G22 PolarHBondContact O-N 2.98Å
21S44.1Very low63.2Low106 Ų106115.4 Ų115.474%0.74163%0.633SS**  trans-6395.1-171.2570000104.3Q19 S23Q19-S21 PolarHBondContact O-N 2.91Å; S21-S23 PolarHBondContact O-N 3.49Å
22G45.7Very low65.1Low62 Ų62117.8 Ų117.864%0.63963%0.634SS**  trans-47.1122.4179.300000105.1E20 L24E20-G22 PolarHBondContact O-N 2.98Å; G22-L24 VanDerWaalsContact C-N 3.33Å; G22-L24 PolarHBondContact O-N 2.78Å
23S48.5Very low66.7Low111 Ų111113.2 Ų113.278%0.77661%0.609SS**  trans-50.5104.6-173.3640000106.9S21 Q25S21-S23 PolarHBondContact O-N 3.49Å; S23-Q25 PolarHBondContact O-N 3.23Å
24L53.4Low68.6Low167 Ų167110.1 Ų110.187%0.87460%0.599SS**  trans-65.594176.9-98.5163.8000103.9G22 R26G22-L24 VanDerWaalsContact C-N 3.33Å; G22-L24 PolarHBondContact O-N 2.78Å; L24-R26 VanDerWaalsContact C-N 3.28Å; L24-R26 PolarHBondContact O-N 3.44Å
25Q58.8Low70.9Confident118 Ų118104.6 Ų104.655%0.55157%0.571SS**  trans-63.497.9-177.1-174.6167.9-3.400106.5S23 I27 H29S23-Q25 PolarHBondContact O-N 3.23Å; Q25-I27 WeakPolarHBondContact CG-O 3.42Å; Q25-I27 PolarHBondContact O-N 3.44Å; Q25-H29 PolarHBondContact NE2-NE2 3.35Å
26R82.6Confident72.9Confident125 Ų125102.2 Ų102.247%0.47255%0.554SS.*  trans-70.3-14.9-168.9-161.8-179.2-77.4168.3-3.3111.7L24 F47 S48 H125L24-R26 VanDerWaalsContact C-N 3.28Å; L24-R26 PolarHBondContact O-N 3.44Å; R26-F47 HydrophobicContact CB-CE2 4.15Å; R26-F47 HydrophobicContact CG-CD2 3.89Å; R26-F47 HydrophobicContact CG-CE2 3.41Å; R26-F47 VanDerWaalsContact CG-CE2 3.41Å; R26-F47 HydrophobicContact CG-CZ 4.11Å; R26-F47 WeakPolarHBondContact O-CD2 3.46Å; R26-S48 PolarHBondContact O-N 3.26Å; R26-H125 PolarHBondContact NH1-NE2 3.45Å
27I88.6Confident74.9Confident10 Ų1099.4 Ų99.45%0.05153%0.533CS..EExtended strand (participates in β ladder)trans-122.8118.5-178.6-61.7167.3000109.5Q25 H29 C45 N46 F47 F117 H125Q25-I27 WeakPolarHBondContact CG-O 3.42Å; Q25-I27 PolarHBondContact O-N 3.44Å; I27-H29 PolarHBondContact O-CD2 3.48Å; I27-C45 HydrophobicContact CG2-CB 4.24Å; I27-N46 CarbonylContact C-O 3.59Å; I27-N46 VanDerWaalsContact CA-O 3.27Å; I27-N46 WeakPolarHBondContact CA-O 3.32Å; I27-F47 HydrophobicContact CD1-CD2 4.14Å; I27-F47 HydrophobicContact CD1-CE2 4.49Å; I27-F47 HydrophobicContact CG1-CD2 3.5Å; I27-F47 HydrophobicContact CG1-CE2 4.15Å; I27-F47 HydrophobicContact CG1-CG 4.46Å; I27-F117 HydrophobicContact CD1-CD2 4.11Å; I27-F117 HydrophobicContact CG1-CD2 4.45Å; I27-F117 HydrophobicContact CG2-CE2 4.28Å; I27-H125 HydrophobicContact CD1-CB 3.97Å; I27-H125 WeakPolarHBondContact CD1-O 3.43Å
28R92Very high77.2Confident146 Ų14696.2 Ų96.255%0.55152%0.519SS*.EExtended strand (participates in β ladder)trans-82.9118.8169.5-67.6-174-74-158.2-1.5109.5C45 N46R28-C45 CarbonylContact O-C 3.53Å; R28-C45 WeakPolarHBondContact O-CA 3.42Å; R28-N46 HydrophobicContact CB-CB 4.32Å; R28-N46 PolarHBondContact N-O 3.5Å; R28-N46 PolarHBondContact NH2-ND2 2.99Å; R28-N46 PolarHBondContact O-N 3.45Å
29H94Very high79.5Confident39 Ų39100 Ų10018%0.18151%0.514CS..EExtended strand (participates in β ladder)trans-152.4167.5174.664.993.5000108.6Q25 I27 N31 Q128Q25-H29 PolarHBondContact NE2-NE2 3.35Å; I27-H29 PolarHBondContact O-CD2 3.48Å; H29-N31 PolarHBondContact CE1-OD1 3Å; H29-N31 VanDerWaalsContact CE1-OD1 3.25Å; H29-Q128 PolarHBondContact CE1-O 3.3Å; H29-Q128 PolarHBondContact ND1-O 3.34Å; H29-Q128 VanDerWaalsContact ND1-O 3.1Å
30K95.3Very high81.9Confident117 Ų11796.4 Ų96.451%0.50950%0.5SS..  trans-84.1146.1165.6-72.2176.6176178.90109.8E33 T129K30-E33 WeakPolarHBondContact CD-OE2 3.45Å; K30-E33 WeakPolarHBondContact CE-OE2 3.45Å; K30-E33 IonicContact NZ-OE1 2.83Å; K30-E33 PolarHBondContact NZ-OE1 2.86Å; K30-E33 IonicContact NZ-OE2 2.8Å; K30-E33 PolarHBondContact NZ-OE2 3.43Å; K30-T129 HydrophobicContact CB-CG2 4.44Å; K30-T129 VanDerWaalsContact O-CB 3.29Å; K30-T129 WeakPolarHBondContact O-CB 3.21Å; K30-T129 WeakPolarHBondContact O-CG2 3.22Å; K30-T129 PolarHBondContact O-OG1 3.08Å
31N95.8Very high84.5Confident96 Ų9688 Ų8851%0.51346%0.461SS..SBendtrans-78-36.3173.7-67.2-22.9000111.7H29 T129 C130H29-N31 PolarHBondContact CE1-OD1 3Å; H29-N31 VanDerWaalsContact CE1-OD1 3.25Å; N31-T129 WeakPolarHBondContact O-CA 3.39Å; N31-C130 PolarHBondContact O-N 2.68Å
32Y97.1Very high87.1Confident176 Ų17686 Ų8669%0.6945%0.445SS*.EExtended strand (participates in β ladder)trans-133142.5-179.9-58.1-86.2000109.7C130Y32-C130 CarbonylContact C-O 3.54Å; Y32-C130 VanDerWaalsContact CA-O 3.31Å; Y32-C130 WeakPolarHBondContact CA-O 3.08Å; Y32-C130 HydrophobicContact CD1-CB 3.94Å; Y32-C130 HydrophobicContact CE1-CB 4.18Å
33E97.3Very high89.5Confident39 Ų3983.1 Ų83.118%0.18242%0.415CS..EExtended strand (participates in β ladder)trans-135.2147.9173.5-16869-83.900109K30 V41 L43 T129 C130 L131 T132K30-E33 WeakPolarHBondContact CD-OE2 3.45Å; K30-E33 WeakPolarHBondContact CE-OE2 3.45Å; K30-E33 IonicContact NZ-OE1 2.83Å; K30-E33 PolarHBondContact NZ-OE1 2.86Å; K30-E33 IonicContact NZ-OE2 2.8Å; K30-E33 PolarHBondContact NZ-OE2 3.43Å; E33-V41 HydrophobicContact CG-CG2 4.06Å; E33-L43 HydrophobicContact CB-CD2 3.88Å; E33-L43 HydrophobicContact CG-CD2 3.89Å; E33-T129 HydrophobicContact CB-CG2 3.97Å; E33-C130 PolarHBondContact N-O 3.15Å; E33-L131 HydrophobicContact CB-CD1 4.32Å; E33-L131 HydrophobicContact CG-CD1 4.47Å; E33-L131 CarbonylContact O-C 3.52Å; E33-L131 WeakPolarHBondContact O-CA 3.49Å; E33-T132 PolarHBondContact O-N 2.92Å
34T97.6Very high91.8Very high82 Ų8281.3 Ų81.350%0.50339%0.393SS..EExtended strand (participates in β ladder)trans-116.8147.1174.958.70000110.6T132 L134T34-T132 CarbonylContact C-O 3.46Å; T34-T132 VanDerWaalsContact CA-O 3.26Å; T34-T132 WeakPolarHBondContact CA-O 3.29Å; T34-L134 HydrophobicContact CG2-CD1 4.14Å; T34-L134 HydrophobicContact CG2-CG 4.46Å
35A97.9Very high93.7Very high8 Ų873.3 Ų73.37%0.06635%0.352CS..EExtended strand (participates in β ladder)trans-138.9147.2175.600000111.2V41 V105 L131 T132 I133 L134A35-V41 HydrophobicContact CB-CB 3.74Å; A35-V41 HydrophobicContact CB-CG1 4.39Å; A35-V41 HydrophobicContact CB-CG2 3.87Å; A35-V105 HydrophobicContact CB-CG2 3.99Å; A35-L131 HydrophobicContact CB-CD1 3.9Å; A35-T132 PolarHBondContact N-O 2.97Å; A35-I133 HydrophobicContact CB-CD1 3.99Å; A35-I133 CarbonylContact O-C 3.5Å; A35-I133 WeakPolarHBondContact O-CA 3.29Å; A35-L134 PolarHBondContact O-N 3.07Å
36V98Very high95.3Very high52 Ų5269 Ų6932%0.31533%0.332SS..EExtended strand (participates in β ladder)trans-84.1133.9175.3-176.20000109.1G38 R39 V105 L134 V220V36-G38 PolarHBondContact O-N 3.34Å; V36-R39 HydrophobicContact CB-CB 4.26Å; V36-R39 HydrophobicContact CB-CG 3.8Å; V36-R39 HydrophobicContact CG1-CG 4.07Å; V36-R39 WeakPolarHBondContact O-CB 3.36Å; V36-R39 PolarHBondContact O-N 2.79Å; V36-V105 VanDerWaalsContact O-CG2 3.25Å; V36-V105 WeakPolarHBondContact O-CG2 3.31Å; V36-L134 WeakPolarHBondContact CA-O 3.31Å; V36-V220 HydrophobicContact CG1-CG1 3.85Å; V36-V220 HydrophobicContact CG2-CB 4.5Å; V36-V220 HydrophobicContact CG2-CG1 3.79Å; V36-V220 HydrophobicContact CG2-CG2 4.05Å
37L98.1Very high95.7Very high61 Ų6163.1 Ų63.132%0.31931%0.31SS..THydrogen-bonded Turntrans-47.7131.5176.9-175.470.4000111.6R39 F107 I133 L134L37-R39 PolarHBondContact O-N 3.11Å; L37-F107 HydrophobicContact CD1-CD2 4.06Å; L37-F107 HydrophobicContact CD1-CE1 4.45Å; L37-F107 HydrophobicContact CD1-CE2 3.94Å; L37-F107 HydrophobicContact CD1-CG 4.4Å; L37-F107 HydrophobicContact CD1-CZ 4.15Å; L37-F107 HydrophobicContact CD2-CE2 3.81Å; L37-F107 HydrophobicContact CD2-CZ 3.93Å; L37-I133 HydrophobicContact CB-CG2 4.05Å; L37-I133 HydrophobicContact CD1-CG2 4.06Å; L37-L134 PolarHBondContact N-O 3.17Å
38G97.3Very high95.6Very high49 Ų4966 Ų6651%0.50533%0.331SS..THydrogen-bonded Turntrans74.8-1.7-179.800000115.3V36 V105V36-G38 PolarHBondContact O-N 3.34Å; G38-V105 PolarHBondContact N-O 3.49Å
39R97.8Very high95Very high172 Ų17260.5 Ų60.565%0.64932%0.315SS*.SBendtrans-94.5171.5172.9-55.8-57-174.5175-0.2111.2V36 L37 G104 V105V36-R39 HydrophobicContact CB-CB 4.26Å; V36-R39 HydrophobicContact CB-CG 3.8Å; V36-R39 HydrophobicContact CG1-CG 4.07Å; V36-R39 WeakPolarHBondContact O-CB 3.36Å; V36-R39 PolarHBondContact O-N 2.79Å; L37-R39 PolarHBondContact O-N 3.11Å; R39-G104 PolarHBondContact O-N 3.49Å; R39-V105 WeakPolarHBondContact O-CG2 3.17Å; R39-V105 PolarHBondContact O-N 2.85Å
40N97.9Very high94Very high102 Ų10267.6 Ų67.655%0.54535%0.353SS..  trans-89.1145.3176.8-60.7-6.5000109.8I102 Q103 G104N40-I102 VanDerWaalsContact CA-O 3.32Å; N40-I102 WeakPolarHBondContact CA-O 3.38Å; N40-Q103 VanDerWaalsContact OD1-CA 3.25Å; N40-Q103 WeakPolarHBondContact OD1-CA 3.32Å; N40-G104 PolarHBondContact OD1-N 3Å
41V97.7Very high93.3Very high9 Ų962.7 Ų62.76%0.05534%0.335CS..EExtended strand (participates in β ladder)trans-126.6143.3172.769.20000109.9E33 A35 L43 T101 I102 V105 L131E33-V41 HydrophobicContact CG-CG2 4.06Å; A35-V41 HydrophobicContact CB-CB 3.74Å; A35-V41 HydrophobicContact CB-CG1 4.39Å; A35-V41 HydrophobicContact CB-CG2 3.87Å; V41-L43 HydrophobicContact CG2-CD2 4.25Å; V41-T101 CarbonylContact O-C 3.58Å; V41-T101 VanDerWaalsContact O-CA 3.24Å; V41-T101 WeakPolarHBondContact O-CA 3.45Å; V41-I102 HydrophobicContact CG1-CB 4.03Å; V41-I102 PolarHBondContact N-O 3.4Å; V41-I102 PolarHBondContact O-N 3.4Å; V41-V105 HydrophobicContact CB-CG1 4.13Å; V41-V105 HydrophobicContact CG1-CG1 3.48Å; V41-V105 VanDerWaalsContact CG1-CG1 3.48Å; V41-L131 HydrophobicContact CG1-CD1 4.4Å; V41-L131 HydrophobicContact CG1-CD2 3.98Å; V41-L131 HydrophobicContact CG2-CD1 3.95Å
42T97.4Very high92.8Very high66 Ų6663.7 Ų63.741%0.40534%0.34SS..EExtended strand (participates in β ladder)trans-119.7118.9174.9-55.50000109.7F99 M100 T101T42-F99 HydrophobicContact CG2-CB 4.07Å; T42-F99 HydrophobicContact CG2-CD1 4.13Å; T42-M100 CarbonylContact C-O 3.51Å; T42-M100 WeakPolarHBondContact CA-O 3.41Å; T42-T101 PolarHBondContact OG1-OG1 3.49Å
43L97.4Very high92.4Very high1 Ų156 Ų561%0.00531%0.311CS..EExtended strand (participates in β ladder)trans-93.1147.1169.9-54-170.2000109.6E33 V41 W58 F99 M100 Y113 T129E33-L43 HydrophobicContact CB-CD2 3.88Å; E33-L43 HydrophobicContact CG-CD2 3.89Å; V41-L43 HydrophobicContact CG2-CD2 4.25Å; L43-W58 HydrophobicContact CB-CH2 4.02Å; L43-W58 HydrophobicContact CB-CZ3 3.99Å; L43-F99 CarbonylContact O-C 3.51Å; L43-F99 VanDerWaalsContact O-CA 3.32Å; L43-F99 WeakPolarHBondContact O-CA 3.32Å; L43-M100 HydrophobicContact CB-CE 4.26Å; L43-M100 HydrophobicContact CD1-CE 3.61Å; L43-M100 HydrophobicContact CG-CE 4.11Å; L43-M100 PolarHBondContact N-O 3.49Å; L43-M100 PolarHBondContact O-N 3.39Å; L43-Y113 HydrophobicContact CD1-CD2 3.76Å; L43-Y113 HydrophobicContact CD1-CG 3.79Å; L43-T129 HydrophobicContact CD2-CG2 4.12Å
44F94.9Very high92.1Very high72 Ų7258.4 Ų58.432%0.31633%0.325SS..EExtended strand (participates in β ladder)trans-133.9138.7-175.2168.2-104.2000111.7N46 A97 S98 F99F44-N46 HydrophobicContact CE1-CB 3.72Å; F44-N46 HydrophobicContact CE2-CB 4.07Å; F44-N46 HydrophobicContact CZ-CB 3.34Å; F44-A97 HydrophobicContact CE2-CB 3.99Å; F44-S98 WeakPolarHBondContact CA-O 3.39Å; F44-S98 WeakPolarHBondContact CD2-O 3.27Å; F44-F99 HydrophobicContact CB-CD1 4.08Å; F44-F99 HydrophobicContact CB-CE1 4.21Å; F44-F99 AromaticContact CD2-CD1 3.52Å; F44-F99 HydrophobicContact CD2-CD1 3.52Å; F44-F99 HydrophobicContact CD2-CD2 4.28Å; F44-F99 AromaticContact CD2-CE1 3.12Å; F44-F99 HydrophobicContact CD2-CE1 3.12Å; F44-F99 AromaticContact CD2-CE2 3.93Å; F44-F99 HydrophobicContact CD2-CE2 3.93Å; F44-F99 HydrophobicContact CD2-CG 4.09Å; F44-F99 AromaticContact CD2-CZ 3.35Å; F44-F99 HydrophobicContact CD2-CZ 3.35Å; F44-F99 HydrophobicContact CE2-CD1 4.35Å; F44-F99 AromaticContact CE2-CE1 3.6Å; F44-F99 HydrophobicContact CE2-CE1 3.6Å; F44-F99 AromaticContact CE2-CE2 3.88Å; F44-F99 HydrophobicContact CE2-CE2 3.88Å; F44-F99 AromaticContact CE2-CZ 3.32Å; F44-F99 HydrophobicContact CE2-CZ 3.32Å; F44-F99 HydrophobicContact CG-CD1 4.22Å; F44-F99 AromaticContact CG-CE1 3.93Å; F44-F99 HydrophobicContact CG-CE1 3.93Å; F44-F99 HydrophobicContact CG-CZ 4.49Å; F44-F99 HydrophobicContact CZ-CZ 4.46Å
45C94.5Very high91.9Very high0 Ų057.5 Ų57.50%032%0.315CS..EExtended strand (participates in β ladder)trans-135.8137.8168.4-69.40000111.3I27 R28 W58 A97 S98 C115 F117I27-C45 HydrophobicContact CG2-CB 4.24Å; R28-C45 CarbonylContact O-C 3.53Å; R28-C45 WeakPolarHBondContact O-CA 3.42Å; C45-W58 HydrophobicContact CB-CH2 4.34Å; C45-A97 CarbonylContact O-C 3.51Å; C45-A97 WeakPolarHBondContact O-CA 3.46Å; C45-S98 PolarHBondContact N-O 3.45Å; C45-S98 PolarHBondContact O-N 3.49Å; C45-C115 HydrophobicContact CB-CB 3.62Å; C45-C115 WeakPolarHBondContact CB-SG 3.37Å; C45-C115 WeakPolarHBondContact SG-CB 3.31Å; C45-C115 CovalentContact SG-SG 2.01Å; C45-C115 PolarHBondContact SG-SG 2.93Å; C45-F117 HydrophobicContact CB-CE2 3.92Å; C45-F117 HydrophobicContact CB-CZ 4.1Å
46N92.6Very high91.7Very high26 Ų2657.2 Ų57.214%0.13931%0.313CS..EExtended strand (participates in β ladder)trans-130.6121.2174.8174.3-29.4000111.1I27 R28 F44 S96 A97I27-N46 CarbonylContact C-O 3.59Å; I27-N46 VanDerWaalsContact CA-O 3.27Å; I27-N46 WeakPolarHBondContact CA-O 3.32Å; R28-N46 HydrophobicContact CB-CB 4.32Å; R28-N46 PolarHBondContact N-O 3.5Å; R28-N46 PolarHBondContact NH2-ND2 2.99Å; R28-N46 PolarHBondContact O-N 3.45Å; F44-N46 HydrophobicContact CE1-CB 3.72Å; F44-N46 HydrophobicContact CE2-CB 4.07Å; F44-N46 HydrophobicContact CZ-CB 3.34Å; N46-S96 CarbonylContact C-O 3.53Å; N46-S96 VanDerWaalsContact CA-O 3.26Å; N46-S96 WeakPolarHBondContact CA-O 3.32Å; N46-A97 HydrophobicContact CB-CB 4.33Å
47F90.7Very high91.6Very high2 Ų255.1 Ų55.11%0.00930%0.3CS..EExtended strand (participates in β ladder)trans-90.7108177.1-172.1-128.8000111.1R26 I27 S49 A51 V53 S96 F117 I119 H125R26-F47 HydrophobicContact CB-CE2 4.15Å; R26-F47 HydrophobicContact CG-CD2 3.89Å; R26-F47 HydrophobicContact CG-CE2 3.41Å; R26-F47 VanDerWaalsContact CG-CE2 3.41Å; R26-F47 HydrophobicContact CG-CZ 4.11Å; R26-F47 WeakPolarHBondContact O-CD2 3.46Å; I27-F47 HydrophobicContact CD1-CD2 4.14Å; I27-F47 HydrophobicContact CD1-CE2 4.49Å; I27-F47 HydrophobicContact CG1-CD2 3.5Å; I27-F47 HydrophobicContact CG1-CE2 4.15Å; I27-F47 HydrophobicContact CG1-CG 4.46Å; F47-S49 PolarHBondContact O-N 3Å; F47-A51 HydrophobicContact CE1-CB 4.14Å; F47-V53 HydrophobicContact CD1-CG2 4.05Å; F47-S96 PolarHBondContact N-O 3.16Å; F47-S96 WeakPolarHBondContact O-CB 3.16Å; F47-F117 HydrophobicContact CB-CD1 3.73Å; F47-F117 HydrophobicContact CB-CD2 3.85Å; F47-F117 HydrophobicContact CB-CE1 3.72Å; F47-F117 HydrophobicContact CB-CE2 3.84Å; F47-F117 HydrophobicContact CB-CG 3.8Å; F47-F117 HydrophobicContact CB-CZ 3.78Å; F47-F117 HydrophobicContact CD1-CB 4.39Å; F47-F117 HydrophobicContact CD1-CD1 4.49Å; F47-F117 HydrophobicContact CD1-CG 4.41Å; F47-F117 HydrophobicContact CG-CB 4.4Å; F47-F117 HydrophobicContact CG-CD1 4.32Å; F47-F117 HydrophobicContact CG-CD2 4.29Å; F47-F117 HydrophobicContact CG-CG 4.08Å; F47-I119 HydrophobicContact CD1-CD1 4.19Å; F47-I119 HydrophobicContact CE1-CD1 3.26Å; F47-I119 HydrophobicContact CZ-CD1 3.62Å; F47-H125 HydrophobicContact CE2-CB 3.77Å; F47-H125 HydrophobicContact CZ-CB 4.2Å; F47-H125 AromaticContact CZ-CD2 3.73Å
48S86.3Confident91.5Very high70 Ų7052.2 Ų52.249%0.4929%0.285SS..  trans-72.417.3-175-54.10000114.6R26R26-S48 PolarHBondContact O-N 3.26Å
49S79.8Confident91.5Very high32 Ų3251 Ų5122%0.22427%0.265CS..SBendtrans-109141.1-176.7-169.30000111.5F47 A51F47-S49 PolarHBondContact O-N 3Å; S49-A51 PolarHBondContact O-N 2.92Å
50L72Confident91.5Very high187 Ų18743.4 Ų43.498%0.97924%0.237SC*.  trans-73.517.2172.7-58.9175.3000113.5
51A80.3Confident91.3Very high14 Ų1440.1 Ų40.112%0.11622%0.219CC..SBendtrans-72.7148.1-179.500000110.8F47 S49 V53 I119F47-A51 HydrophobicContact CE1-CB 4.14Å; S49-A51 PolarHBondContact O-N 2.92Å; A51-V53 PolarHBondContact O-N 3.41Å; A51-I119 HydrophobicContact CB-CD1 3.91Å; A51-I119 HydrophobicContact CB-CG1 4.27Å; A51-I119 HydrophobicContact CB-CG2 4.07Å
52N85.7Confident90.7Very high117 Ų11744.4 Ų44.463%0.62624%0.239SC*.  trans-70.899.4175.5-172.417.6000110.4L54N52-L54 PolarHBondContact O-N 3Å
53V89.2Confident89.9Confident15 Ų1545.1 Ų45.19%0.09126%0.26CS..  trans-77.3115.1175.9178.30000108.6F47 A51 I56 P95 F117 I119F47-V53 HydrophobicContact CD1-CG2 4.05Å; A51-V53 PolarHBondContact O-N 3.41Å; V53-I56 HydrophobicContact CG1-CG1 3.85Å; V53-P95 HydrophobicContact CB-CB 4.42Å; V53-P95 WeakPolarHBondContact CB-O 3.41Å; V53-P95 WeakPolarHBondContact CG2-O 3.45Å; V53-F117 HydrophobicContact CG1-CB 4.29Å; V53-F117 HydrophobicContact CG1-CD1 3.91Å; V53-F117 HydrophobicContact CG2-CB 4.37Å; V53-F117 HydrophobicContact CG2-CD1 4Å; V53-I119 HydrophobicContact CG2-CD1 4.36Å; V53-I119 HydrophobicContact CG2-CG1 4.18Å
54L90.8Very high89.1Confident89 Ų8950.9 Ų50.947%0.46630%0.3SS..  trans-81.8-38.2-179.4-60.9179.1000112N52 S73 N118 F120N52-L54 PolarHBondContact O-N 3Å; L54-S73 WeakPolarHBondContact O-CB 3.36Å; L54-N118 PolarHBondContact N-O 3.44Å; L54-F120 HydrophobicContact CD1-CB 3.53Å
55Q92.9Very high88.8Confident63 Ų6352.3 Ų52.329%0.29431%0.31SS..EExtended strand (participates in β ladder)trans-155.3144.5-176.8-176.1179.7-70.200110.3T57 Y72 N118Q55-T57 PolarHBondContact NE2-OG1 2.77Å; Q55-T57 VanDerWaalsContact NE2-OG1 3.11Å; Q55-Y72 CarbonylContact C-O 3.6Å; Q55-Y72 WeakPolarHBondContact CA-O 3.13Å; Q55-Y72 WeakPolarHBondContact CG-O 3.32Å; Q55-N118 HydrophobicContact CB-CB 4.41Å; Q55-N118 WeakPolarHBondContact O-CB 3.48Å; Q55-N118 PolarHBondContact O-N 3.36Å; Q55-N118 PolarHBondContact O-ND2 3.37Å
56I94Very high88.7Confident3 Ų355.3 Ų55.32%0.01533%0.33CS..EExtended strand (participates in β ladder)trans-107.3128.7169.4-58.1165000108.1V53 T71 Y72 T92 L116 F117V53-I56 HydrophobicContact CG1-CG1 3.85Å; I56-T71 CarbonylContact O-C 3.57Å; I56-T71 VanDerWaalsContact O-CA 3.25Å; I56-T71 WeakPolarHBondContact O-CA 3.37Å; I56-Y72 PolarHBondContact N-O 3.06Å; I56-Y72 PolarHBondContact O-N 3.38Å; I56-T92 HydrophobicContact CD1-CG2 3.66Å; I56-L116 CarbonylContact C-O 3.59Å; I56-L116 VanDerWaalsContact CA-O 3.28Å; I56-L116 WeakPolarHBondContact CA-O 3.46Å; I56-F117 HydrophobicContact CD1-CD1 4.17Å; I56-F117 HydrophobicContact CD1-CE1 3.86Å; I56-F117 HydrophobicContact CG1-CD1 3.86Å; I56-F117 HydrophobicContact CG1-CE1 4.02Å
57T95.5Very high88.9Confident7 Ų757.7 Ų57.74%0.04334%0.34CS..EExtended strand (participates in β ladder)trans-116.7127.5177.7-56.50000109.3Q55 Q59 N68 T71 C115 L116 N118Q55-T57 PolarHBondContact NE2-OG1 2.77Å; Q55-T57 VanDerWaalsContact NE2-OG1 3.11Å; T57-Q59 HydrophobicContact CG2-CG 4.04Å; T57-N68 HydrophobicContact CG2-CB 4.39Å; T57-N68 WeakPolarHBondContact CG2-OD1 3.32Å; T57-T71 HydrophobicContact CG2-CG2 3.91Å; T57-C115 CarbonylContact O-C 3.53Å; T57-L116 PolarHBondContact N-O 3.17Å; T57-L116 PolarHBondContact O-N 2.94Å; T57-N118 PolarHBondContact OG1-ND2 3.49Å; T57-N118 VanDerWaalsContact OG1-ND2 3.08Å
58W97Very high89.2Confident1 Ų161.4 Ų61.40%0.00436%0.36CS..EExtended strand (participates in β ladder)trans-97.8133.7168.9-72.693.7000109.7L43 C45 I69 G70 C90 S98 M100 K114 C115L43-W58 HydrophobicContact CB-CH2 4.02Å; L43-W58 HydrophobicContact CB-CZ3 3.99Å; C45-W58 HydrophobicContact CB-CH2 4.34Å; W58-I69 HydrophobicContact CB-CD1 4.42Å; W58-I69 HydrophobicContact CB-CG1 4.04Å; W58-I69 VanDerWaalsContact O-CG1 3.3Å; W58-I69 WeakPolarHBondContact O-CG1 3.25Å; W58-I69 PolarHBondContact O-N 3.14Å; W58-G70 PolarHBondContact N-O 3.31Å; W58-G70 PolarHBondContact O-N 3.4Å; W58-C90 VanDerWaalsContact CD1-SG 3.53Å; W58-S98 PolarHBondContact NE1-OG 3.43Å; W58-M100 HydrophobicContact CB-SD 3.62Å; W58-M100 HydrophobicContact CD2-CB 3.6Å; W58-M100 HydrophobicContact CD2-CE 4.24Å; W58-M100 HydrophobicContact CD2-CG 4.18Å; W58-M100 HydrophobicContact CD2-SD 3.67Å; W58-M100 HydrophobicContact CE3-CB 3.96Å; W58-M100 HydrophobicContact CE3-CE 3.65Å; W58-M100 HydrophobicContact CE3-CG 4.48Å; W58-M100 HydrophobicContact CE3-SD 3.69Å; W58-M100 HydrophobicContact CG-CB 4.06Å; W58-M100 HydrophobicContact CG-CG 4.26Å; W58-M100 HydrophobicContact CG-SD 3.66Å; W58-M100 HydrophobicContact CH2-CB 4.09Å; W58-M100 HydrophobicContact CZ2-CB 3.77Å; W58-M100 HydrophobicContact CZ3-CB 4.18Å; W58-M100 HydrophobicContact CZ3-CE 4.02Å; W58-K114 CarbonylContact C-O 3.52Å; W58-K114 WeakPolarHBondContact CA-O 3.46Å; W58-C115 HydrophobicContact CD2-CB 4.13Å; W58-C115 HydrophobicContact CE3-CB 3.9Å; W58-C115 HydrophobicContact CH2-CB 3.73Å; W58-C115 HydrophobicContact CZ2-CB 3.94Å; W58-C115 HydrophobicContact CZ3-CB 3.7Å
59Q97.2Very high89.7Confident22 Ų2258.3 Ų58.310%0.10334%0.338CS..EExtended strand (participates in β ladder)trans-125.8143.5179.9-57.2-175.2-43.800110.7T57 P66 H67 N68 Y113 K114 L116T57-Q59 HydrophobicContact CG2-CG 4.04Å; Q59-P66 HydrophobicContact CB-CB 4.36Å; Q59-H67 CarbonylContact C-O 3.56Å; Q59-H67 WeakPolarHBondContact CA-O 3.33Å; Q59-H67 WeakPolarHBondContact CB-O 3.28Å; Q59-N68 WeakPolarHBondContact CG-OD1 3.39Å; Q59-N68 PolarHBondContact NE2-OD1 3.42Å; Q59-Y113 CarbonylContact O-C 3.5Å; Q59-Y113 WeakPolarHBondContact O-CA 3.13Å; Q59-K114 HydrophobicContact CB-CB 4.28Å; Q59-K114 PolarHBondContact N-O 3.49Å; Q59-K114 PolarHBondContact O-N 3.49Å; Q59-L116 VanDerWaalsContact CD-CD1 3.48Å; Q59-L116 HydrophobicContact CG-CD1 4.21Å
60K97Very high90.4Very high13 Ų1356.8 Ų56.86%0.05733%0.327CS..EExtended strand (participates in β ladder)trans-97.7130.1164.6-173.8-177.1-172.9175.50108.8Q62 H67 I69 Y84 E108 A111 Y113K60-Q62 HydrophobicContact CD-CG 4.1Å; K60-Q62 HydrophobicContact CG-CG 4.21Å; K60-H67 PolarHBondContact N-O 3.32Å; K60-H67 PolarHBondContact O-N 2.99Å; K60-I69 HydrophobicContact CB-CD1 4.32Å; K60-I69 HydrophobicContact CB-CG2 3.78Å; K60-Y84 HydrophobicContact CD-CE2 4.26Å; K60-Y84 WeakPolarHBondContact CD-OH 3.38Å; K60-Y84 PolarHBondContact NZ-OH 3.46Å; K60-E108 WeakPolarHBondContact CE-O 3.38Å; K60-E108 PolarHBondContact NZ-O 3.41Å; K60-A111 HydrophobicContact CD-CB 4.4Å; K60-A111 HydrophobicContact CG-CB 3.87Å; K60-Y113 HydrophobicContact CB-CD1 4.15Å; K60-Y113 HydrophobicContact CB-CE1 3.91Å; K60-Y113 HydrophobicContact CD-CE1 4.31Å; K60-Y113 HydrophobicContact CG-CD1 4.37Å; K60-Y113 HydrophobicContact CG-CE1 3.84Å
61I95.3Very high91.6Very high34 Ų3449 Ų4917%0.17429%0.287CS..EExtended strand (participates in β ladder)trans-95.3112.5175.6-54.9173.4000107.3C112 K114 Q128I61-C112 HydrophobicContact CB-CB 4.33Å; I61-C112 VanDerWaalsContact CB-O 3.29Å; I61-C112 WeakPolarHBondContact CB-O 3.33Å; I61-C112 HydrophobicContact CD1-CB 4.16Å; I61-C112 WeakPolarHBondContact CG1-O 3.47Å; I61-C112 PolarHBondContact N-O 2.69Å; I61-K114 HydrophobicContact CD1-CB 4.31Å; I61-Q128 HydrophobicContact CD1-CG 4.05Å
62Q83.3Confident92.2Very high98 Ų9851.5 Ų51.546%0.45829%0.294SS..EExtended strand (participates in β ladder)trans-112.8114.2172.3-74.1179.9-28.200108.2K60 S64 L65K60-Q62 HydrophobicContact CD-CG 4.1Å; K60-Q62 HydrophobicContact CG-CG 4.21Å; Q62-S64 PolarHBondContact O-N 3.19Å; Q62-L65 PolarHBondContact N-O 3.47Å; Q62-L65 PolarHBondContact O-N 3.21Å; Q62-L65 VanDerWaalsContact O-N 3.16Å
63G82.1Confident92.5Very high82 Ų8246.2 Ų46.285%0.84527%0.266SS*.THydrogen-bonded Turntrans60.2-117.3-170.500000110.9
64S79.1Confident92.4Very high121 Ų12154 Ų5485%0.84630%0.301SS*.THydrogen-bonded Turntrans-101.3-5.2178.257.30000114.7Q62Q62-S64 PolarHBondContact O-N 3.19Å
65L89.3Confident92.3Very high103 Ų10355 Ų5554%0.53931%0.311SS..EExtended strand (participates in β ladder)trans-107.3118.2-170.9-167.366.6000111.9Q62 H67Q62-L65 PolarHBondContact N-O 3.47Å; Q62-L65 PolarHBondContact O-N 3.21Å; Q62-L65 VanDerWaalsContact O-N 3.16Å; L65-H67 PolarHBondContact O-ND1 3.33Å
66P93.5Very high92.2Very high62 Ų6261.4 Ų61.440%0.40333%0.334SS..EExtended strand (participates in β ladder)trans-77.9128.717329.7-32.7000111.2Q59Q59-P66 HydrophobicContact CB-CB 4.36Å
67H95.7Very high92.2Very high77 Ų7762.5 Ų62.536%0.35635%0.346SS..EExtended strand (participates in β ladder)trans-112.4128.9176.2-63.580000109.9Q59 K60 L65 I69Q59-H67 CarbonylContact C-O 3.56Å; Q59-H67 WeakPolarHBondContact CA-O 3.33Å; Q59-H67 WeakPolarHBondContact CB-O 3.28Å; K60-H67 PolarHBondContact N-O 3.32Å; K60-H67 PolarHBondContact O-N 2.99Å; L65-H67 PolarHBondContact O-ND1 3.33Å; H67-I69 PolarHBondContact O-N 2.94Å
68N96.4Very high92.1Very high80 Ų8066.5 Ų66.543%0.42836%0.364SS..EExtended strand (participates in β ladder)trans-66.1129.1173.3-66-19000109.4T57 Q59 L81T57-N68 HydrophobicContact CG2-CB 4.39Å; T57-N68 WeakPolarHBondContact CG2-OD1 3.32Å; Q59-N68 WeakPolarHBondContact CG-OD1 3.39Å; Q59-N68 PolarHBondContact NE2-OD1 3.42Å; N68-L81 HydrophobicContact CB-CD1 3.82Å; N68-L81 VanDerWaalsContact O-CD1 3.31Å; N68-L81 WeakPolarHBondContact O-CD1 3.38Å
69I96.8Very high92Very high5 Ų572.9 Ų72.93%0.02639%0.392CS..EExtended strand (participates in β ladder)trans-117.1-24.1178.858.4174.4000112.2W58 K60 H67 L81 Y84 L88 M100 Y113W58-I69 HydrophobicContact CB-CD1 4.42Å; W58-I69 HydrophobicContact CB-CG1 4.04Å; W58-I69 VanDerWaalsContact O-CG1 3.3Å; W58-I69 WeakPolarHBondContact O-CG1 3.25Å; W58-I69 PolarHBondContact O-N 3.14Å; K60-I69 HydrophobicContact CB-CD1 4.32Å; K60-I69 HydrophobicContact CB-CG2 3.78Å; H67-I69 PolarHBondContact O-N 2.94Å; I69-L81 PolarHBondContact O-N 3.07Å; I69-Y84 HydrophobicContact CB-CD2 3.77Å; I69-Y84 HydrophobicContact CB-CE2 4.19Å; I69-Y84 HydrophobicContact CG2-CD2 3.65Å; I69-Y84 HydrophobicContact CG2-CE2 3.64Å; I69-L88 HydrophobicContact CD1-CD1 3.81Å; I69-L88 HydrophobicContact CG1-CD1 4.27Å; I69-M100 HydrophobicContact CD1-CE 4.32Å; I69-M100 HydrophobicContact CD1-SD 3.62Å; I69-M100 HydrophobicContact CG1-SD 4.38Å; I69-Y113 HydrophobicContact CD1-CD1 3.67Å; I69-Y113 HydrophobicContact CD1-CE1 3.7Å
70G96.4Very high92.1Very high0 Ų073.3 Ų73.30%040%0.395CS..EExtended strand (participates in β ladder)trans-163.1149.5177.600000111.6W58 K79W58-G70 PolarHBondContact N-O 3.31Å; W58-G70 PolarHBondContact O-N 3.4Å; G70-K79 CarbonylContact C-O 2.99Å; G70-K79 VanDerWaalsContact CA-O 3.31Å; G70-K79 WeakPolarHBondContact CA-O 3.17Å
71T95.3Very high92Very high22 Ų2275.3 Ų75.314%0.13541%0.406CS..EExtended strand (participates in β ladder)trans-135.3145.9174.656.10000109.8I56 T57 K79I56-T71 CarbonylContact O-C 3.57Å; I56-T71 VanDerWaalsContact O-CA 3.25Å; I56-T71 WeakPolarHBondContact O-CA 3.37Å; T57-T71 HydrophobicContact CG2-CG2 3.91Å; T71-K79 PolarHBondContact N-O 3.32Å; T71-K79 PolarHBondContact O-N 3.02Å
72Y93.6Very high92Very high68 Ų6878.6 Ų78.627%0.26743%0.429SS..EExtended strand (participates in β ladder)trans-128.3130.7170.1-179.7-85.2000109.2Q55 I56 G77 E78 T92Q55-Y72 CarbonylContact C-O 3.6Å; Q55-Y72 WeakPolarHBondContact CA-O 3.13Å; Q55-Y72 WeakPolarHBondContact CG-O 3.32Å; I56-Y72 PolarHBondContact N-O 3.06Å; I56-Y72 PolarHBondContact O-N 3.38Å; Y72-G77 WeakPolarHBondContact CA-O 3.5Å; Y72-E78 HydrophobicContact CD2-CB 4.32Å; Y72-T92 HydrophobicContact CD1-CG2 4.18Å; Y72-T92 WeakPolarHBondContact CD1-OG1 3.25Å; Y72-T92 HydrophobicContact CE1-CG2 4.02Å; Y72-T92 WeakPolarHBondContact CE1-OG1 3.12Å; Y72-T92 VanDerWaalsContact CG-OG1 3.31Å
73S91.8Very high92.5Very high6 Ų678.9 Ų78.94%0.04244%0.44CS..EExtended strand (participates in β ladder)trans-136.1153.2169.966.30000109.7L54 T75 Y76 G77L54-S73 WeakPolarHBondContact O-CB 3.36Å; S73-T75 PolarHBondContact O-N 3.36Å; S73-Y76 WeakPolarHBondContact OG-CB 3.06Å; S73-Y76 WeakPolarHBondContact OG-CD2 3.48Å; S73-Y76 PolarHBondContact OG-N 2.9Å; S73-G77 PolarHBondContact N-O 3.3Å; S73-G77 VanDerWaalsContact N-O 3.09Å; S73-G77 VanDerWaalsContact O-CA 3.23Å; S73-G77 WeakPolarHBondContact O-CA 3.12Å; S73-G77 PolarHBondContact O-N 2.75Å
74H87.1Confident93.1Very high177 Ų17775.1 Ų75.182%0.81940%0.4SS*.THydrogen-bonded Turntrans-62.3-34.2176-174.1-85.8000111.9
75T89.4Confident93.9Very high111 Ų11172.6 Ų72.668%0.68138%0.379SS*.THydrogen-bonded Turntrans-77.6-41.7-176.6-48.30000113.3S73S73-T75 PolarHBondContact O-N 3.36Å
76Y91.4Very high94.1Very high197 Ų19775 Ų7577%0.77339%0.393SS*.THydrogen-bonded Turntrans-109.8-3.5-172.5-54.9-72.2000113.7S73S73-Y76 WeakPolarHBondContact OG-CB 3.06Å; S73-Y76 WeakPolarHBondContact OG-CD2 3.48Å; S73-Y76 PolarHBondContact OG-N 2.9Å
77G92.1Very high94.2Very high26 Ų2675.5 Ų75.527%0.26839%0.386SS..EExtended strand (participates in β ladder)trans67.7-153.6-175.400000112.9Y72 S73Y72-G77 WeakPolarHBondContact CA-O 3.5Å; S73-G77 PolarHBondContact N-O 3.3Å; S73-G77 VanDerWaalsContact N-O 3.09Å; S73-G77 VanDerWaalsContact O-CA 3.23Å; S73-G77 WeakPolarHBondContact O-CA 3.12Å; S73-G77 PolarHBondContact O-N 2.75Å
78E94.5Very high94.2Very high92 Ų9272.1 Ų72.143%0.4337%0.371SS..EExtended strand (participates in β ladder)trans-79.5134.8177.7179-176.1-113.100111.3Y72 I80 Q89 C90Y72-E78 HydrophobicContact CD2-CB 4.32Å; E78-I80 HydrophobicContact CG-CD1 3.55Å; E78-I80 HydrophobicContact CG-CG1 3.92Å; E78-Q89 WeakPolarHBondContact OE1-CA 3.23Å; E78-C90 HydrophobicContact CG-CB 4.26Å; E78-C90 WeakPolarHBondContact OE1-CA 3.47Å; E78-C90 PolarHBondContact OE1-N 3.19Å
79K95.8Very high94.2Very high134 Ų13471.8 Ų71.858%0.58337%0.367SS*.EExtended strand (participates in β ladder)trans-134.4116.3170.3-179.4178.9-175.4175.80109.6G70 T71G70-K79 CarbonylContact C-O 2.99Å; G70-K79 VanDerWaalsContact CA-O 3.31Å; G70-K79 WeakPolarHBondContact CA-O 3.17Å; T71-K79 PolarHBondContact N-O 3.32Å; T71-K79 PolarHBondContact O-N 3.02Å
80I97.3Very high94Very high31 Ų3171.6 Ų71.616%0.15937%0.366CS..EExtended strand (participates in β ladder)trans-103.4138.4179.1-53-45.9000109.6E78 Y84 L88 C90E78-I80 HydrophobicContact CG-CD1 3.55Å; E78-I80 HydrophobicContact CG-CG1 3.92Å; I80-Y84 WeakPolarHBondContact CG2-O 3.43Å; I80-L88 HydrophobicContact CD1-CD2 3.45Å; I80-L88 VanDerWaalsContact CD1-CD2 3.45Å; I80-L88 HydrophobicContact CG1-CD2 4.29Å; I80-L88 HydrophobicContact CG2-CB 4.07Å; I80-L88 HydrophobicContact CG2-CD2 4.24Å; I80-C90 HydrophobicContact CD1-CB 4.33Å
81L96.6Very high93.8Very high56 Ų5677.9 Ų77.929%0.29339%0.393SS..  trans-104.7150.2-178.9-60.6175.6000110.8N68 I69 Y84N68-L81 HydrophobicContact CB-CD1 3.82Å; N68-L81 VanDerWaalsContact O-CD1 3.31Å; N68-L81 WeakPolarHBondContact O-CD1 3.38Å; I69-L81 PolarHBondContact O-N 3.07Å; L81-Y84 WeakPolarHBondContact O-CB 3.34Å; L81-Y84 PolarHBondContact O-N 3.33Å
82P94.6Very high93.4Very high103 Ų10378.2 Ų78.267%0.66940%0.395SS*.THydrogen-bonded Turntrans-55.9147.8171.8-2534.8000112.3Y84 V85P82-Y84 VanDerWaalsContact C-N 3.33Å; P82-V85 HydrophobicContact CG-CG2 4.08Å
83P93Very high92.9Very high104 Ų10479.8 Ų79.868%0.67541%0.408SS*.THydrogen-bonded Turncis-87.812.62.336.8-37000114V85P83-V85 PolarHBondContact O-N 3.21Å
84Y95.6Very high92.1Very high3 Ų387.2 Ų87.21%0.01244%0.442CS..  trans-87-1.1-171.2-74.2-77.1000114.8K60 I69 I80 L81 P82 N86 R87 L88 I102 D109 Y113K60-Y84 HydrophobicContact CD-CE2 4.26Å; K60-Y84 WeakPolarHBondContact CD-OH 3.38Å; K60-Y84 PolarHBondContact NZ-OH 3.46Å; I69-Y84 HydrophobicContact CB-CD2 3.77Å; I69-Y84 HydrophobicContact CB-CE2 4.19Å; I69-Y84 HydrophobicContact CG2-CD2 3.65Å; I69-Y84 HydrophobicContact CG2-CE2 3.64Å; I80-Y84 WeakPolarHBondContact CG2-O 3.43Å; L81-Y84 WeakPolarHBondContact O-CB 3.34Å; L81-Y84 PolarHBondContact O-N 3.33Å; P82-Y84 VanDerWaalsContact C-N 3.33Å; Y84-N86 PolarHBondContact O-N 2.96Å; Y84-R87 PolarHBondContact O-N 3.35Å; Y84-L88 HydrophobicContact CD1-CB 4.16Å; Y84-L88 HydrophobicContact CD1-CD1 3.66Å; Y84-L88 HydrophobicContact CD2-CD1 4.49Å; Y84-L88 HydrophobicContact CE1-CD1 4.39Å; Y84-L88 HydrophobicContact CG-CB 4.3Å; Y84-L88 HydrophobicContact CG-CD1 3.75Å; Y84-L88 PolarHBondContact O-N 2.99Å; Y84-I102 HydrophobicContact CE1-CD1 4.36Å; Y84-I102 HydrophobicContact CE1-CG2 4.29Å; Y84-D109 WeakPolarHBondContact CE1-OD1 3.39Å; Y84-D109 PolarHBondContact OH-OD1 2.77Å; Y84-Y113 PolarHBondContact OH-OH 2.99Å
85V95.2Very high91.3Very high68 Ų6882.4 Ų82.441%0.41243%0.426SS..THydrogen-bonded Turntrans-53.1132.2176.6-178.20000109.4P82 P83 R87P82-V85 HydrophobicContact CG-CG2 4.08Å; P83-V85 PolarHBondContact O-N 3.21Å; V85-R87 PolarHBondContact O-N 3.45Å; V85-R87 VanDerWaalsContact O-N 3.15Å
86N94.1Very high90.9Very high152 Ų15279 Ų7981%0.81341%0.407SS*.THydrogen-bonded Turntrans66-1.8-175.4-51.2-38.7000116.7Y84Y84-N86 PolarHBondContact O-N 2.96Å
87R96.2Very high90.8Very high73 Ų7370 Ų7028%0.27537%0.374SS..THydrogen-bonded Turntrans-114.1-19.2177-69.5-177.461-143.5-5113.6Y84 V85 Q103 G104 D109Y84-R87 PolarHBondContact O-N 3.35Å; V85-R87 PolarHBondContact O-N 3.45Å; V85-R87 VanDerWaalsContact O-N 3.15Å; R87-Q103 PolarHBondContact NE-O 3.44Å; R87-Q103 PolarHBondContact NH2-O 2.99Å; R87-Q103 WeakPolarHBondContact O-CB 3.23Å; R87-Q103 PolarHBondContact O-N 2.77Å; R87-G104 PolarHBondContact NH2-O 3.42Å; R87-D109 IonicContact CZ-OD2 3.7Å; R87-D109 IonicContact NH1-OD2 3.78Å; R87-D109 IonicContact NH2-OD2 2.76Å; R87-D109 PolarHBondContact NH2-OD2 2.74Å
88L96Very high90.9Very high6 Ų668.8 Ų68.83%0.03136%0.361CS..EExtended strand (participates in β ladder)trans-116.5139.7-174.5-170.2148.7000111.4I69 I80 Y84 C90 M100 T101 I102I69-L88 HydrophobicContact CD1-CD1 3.81Å; I69-L88 HydrophobicContact CG1-CD1 4.27Å; I80-L88 HydrophobicContact CD1-CD2 3.45Å; I80-L88 VanDerWaalsContact CD1-CD2 3.45Å; I80-L88 HydrophobicContact CG1-CD2 4.29Å; I80-L88 HydrophobicContact CG2-CB 4.07Å; I80-L88 HydrophobicContact CG2-CD2 4.24Å; Y84-L88 HydrophobicContact CD1-CB 4.16Å; Y84-L88 HydrophobicContact CD1-CD1 3.66Å; Y84-L88 HydrophobicContact CD2-CD1 4.49Å; Y84-L88 HydrophobicContact CE1-CD1 4.39Å; Y84-L88 HydrophobicContact CG-CB 4.3Å; Y84-L88 HydrophobicContact CG-CD1 3.75Å; Y84-L88 PolarHBondContact O-N 2.99Å; L88-C90 WeakPolarHBondContact CD2-SG 3.04Å; L88-M100 HydrophobicContact CD1-CG 3.96Å; L88-M100 HydrophobicContact CD1-SD 3.72Å; L88-M100 HydrophobicContact CD2-CG 3.95Å; L88-M100 HydrophobicContact CD2-SD 4.37Å; L88-M100 HydrophobicContact CG-CG 3.88Å; L88-M100 HydrophobicContact CG-SD 4.29Å; L88-T101 CarbonylContact C-O 3.51Å; L88-T101 VanDerWaalsContact CA-O 3.28Å; L88-T101 WeakPolarHBondContact CA-O 3.14Å; L88-I102 HydrophobicContact CD1-CG1 4.18Å
89Q95.6Very high90.9Very high73 Ų7367.3 Ų67.334%0.34135%0.353SS..EExtended strand (participates in β ladder)trans-130.8121.8175.8-65.2-179.2-20.100110.1E78 M100 T101E78-Q89 WeakPolarHBondContact OE1-CA 3.23Å; Q89-M100 CarbonylContact O-C 3.49Å; Q89-M100 VanDerWaalsContact O-CA 3.29Å; Q89-M100 WeakPolarHBondContact O-CA 3.33Å; Q89-T101 PolarHBondContact N-O 3.35Å; Q89-T101 PolarHBondContact O-N 2.85Å
90C92.9Very high90.9Very high2 Ų260.9 Ų60.91%0.01433%0.326CS..EExtended strand (participates in β ladder)trans-101.8104.7172.4-68.90000109.8W58 E78 I80 L88 F99W58-C90 VanDerWaalsContact CD1-SG 3.53Å; E78-C90 HydrophobicContact CG-CB 4.26Å; E78-C90 WeakPolarHBondContact OE1-CA 3.47Å; E78-C90 PolarHBondContact OE1-N 3.19Å; I80-C90 HydrophobicContact CD1-CB 4.33Å; L88-C90 WeakPolarHBondContact CD2-SG 3.04Å; C90-F99 CarbonylContact C-O 3.48Å; C90-F99 WeakPolarHBondContact CA-O 3.42Å
91K91.2Very high90.9Very high131 Ų13160.6 Ų60.657%0.5733%0.325SS*.EExtended strand (participates in β ladder)trans-105.9150.5172.8-65.2-174.6-179.8179.50110.5S98 F99K91-S98 CarbonylContact O-C 3.58Å; K91-S98 WeakPolarHBondContact O-CA 3.5Å; K91-S98 PolarHBondContact O-OG 2.92Å; K91-F99 PolarHBondContact N-O 3.48Å; K91-F99 PolarHBondContact O-N 3.21Å
92T87.9Confident91Very high29 Ų2957.9 Ų57.918%0.17831%0.311CS..EExtended strand (participates in β ladder)trans-130139.3178.9-56.80000109I56 Y72 A97I56-T92 HydrophobicContact CD1-CG2 3.66Å; Y72-T92 HydrophobicContact CD1-CG2 4.18Å; Y72-T92 WeakPolarHBondContact CD1-OG1 3.25Å; Y72-T92 HydrophobicContact CE1-CG2 4.02Å; Y72-T92 WeakPolarHBondContact CE1-OG1 3.12Å; Y72-T92 VanDerWaalsContact CG-OG1 3.31Å; T92-A97 CarbonylContact C-O 3.55Å; T92-A97 VanDerWaalsContact CA-O 3.28Å; T92-A97 WeakPolarHBondContact CA-O 3.46Å; T92-A97 VanDerWaalsContact CG2-O 3.32Å; T92-A97 WeakPolarHBondContact CG2-O 3.22Å
93L82.9Confident91.2Very high101 Ų10156.2 Ų56.253%0.52929%0.294SS..EExtended strand (participates in β ladder)trans-111.5136.8166.9-63.8177000107.8A97 F99L93-A97 HydrophobicContact CB-CB 4.32Å; L93-A97 PolarHBondContact N-O 3.45Å; L93-A97 PolarHBondContact O-N 2.94Å; L93-F99 HydrophobicContact CD1-CE2 3.64Å; L93-F99 HydrophobicContact CD1-CZ 4.13Å; L93-F99 HydrophobicContact CG-CE2 3.95Å
94E74.7Confident91.4Very high163 Ų16352.5 Ų52.576%0.76228%0.275SS*.THydrogen-bonded Turntrans-3.2117.8-175.5-9574.3-168.800115.7S96E94-S96 PolarHBondContact O-N 2.89Å; E94-S96 PolarHBondContact O-OG 3.27Å
95P69.4Low91.5Very high75 Ų7552.4 Ų52.449%0.48728%0.275SS..THydrogen-bonded Turn-60.720.5-112.929.2-37.7000117V53V53-P95 HydrophobicContact CB-CB 4.42Å; V53-P95 WeakPolarHBondContact CB-O 3.41Å; V53-P95 WeakPolarHBondContact CG2-O 3.45Å
96S81.7Confident91.5Very high40 Ų4051.8 Ų51.828%0.2827%0.271SS..THydrogen-bonded Turntrans-105-12.2-173.258.80000112.8N46 F47 E94 F117N46-S96 CarbonylContact C-O 3.53Å; N46-S96 VanDerWaalsContact CA-O 3.26Å; N46-S96 WeakPolarHBondContact CA-O 3.32Å; F47-S96 PolarHBondContact N-O 3.16Å; F47-S96 WeakPolarHBondContact O-CB 3.16Å; E94-S96 PolarHBondContact O-N 2.89Å; E94-S96 PolarHBondContact O-OG 3.27Å; S96-F117 WeakPolarHBondContact O-CE1 3.42Å
97A90.5Very high91.6Very high9 Ų946.5 Ų46.57%0.07424%0.241CC..EExtended strand (participates in β ladder)trans-126.9131.9-177.700000112.1F44 C45 N46 T92 L93 F99F44-A97 HydrophobicContact CE2-CB 3.99Å; C45-A97 CarbonylContact O-C 3.51Å; C45-A97 WeakPolarHBondContact O-CA 3.46Å; N46-A97 HydrophobicContact CB-CB 4.33Å; T92-A97 CarbonylContact C-O 3.55Å; T92-A97 VanDerWaalsContact CA-O 3.28Å; T92-A97 WeakPolarHBondContact CA-O 3.46Å; T92-A97 VanDerWaalsContact CG2-O 3.32Å; T92-A97 WeakPolarHBondContact CG2-O 3.22Å; L93-A97 HydrophobicContact CB-CB 4.32Å; L93-A97 PolarHBondContact N-O 3.45Å; L93-A97 PolarHBondContact O-N 2.94Å; A97-F99 HydrophobicContact CB-CE2 4.49Å
98S93.1Very high91.5Very high0 Ų049.6 Ų49.60%026%0.259CS..EExtended strand (participates in β ladder)trans-130.3143.1177.9-168.90000111.9F44 C45 W58 K91F44-S98 WeakPolarHBondContact CA-O 3.39Å; F44-S98 WeakPolarHBondContact CD2-O 3.27Å; C45-S98 PolarHBondContact N-O 3.45Å; C45-S98 PolarHBondContact O-N 3.49Å; W58-S98 PolarHBondContact NE1-OG 3.43Å; K91-S98 CarbonylContact O-C 3.58Å; K91-S98 WeakPolarHBondContact O-CA 3.5Å; K91-S98 PolarHBondContact O-OG 2.92Å
99F95.2Very high91.5Very high60 Ų6049.5 Ų49.526%0.26326%0.258SS..EExtended strand (participates in β ladder)trans-123.8130.1177.8-57.7-96.8000108.6T42 L43 F44 C90 K91 L93 A97T42-F99 HydrophobicContact CG2-CB 4.07Å; T42-F99 HydrophobicContact CG2-CD1 4.13Å; L43-F99 CarbonylContact O-C 3.51Å; L43-F99 VanDerWaalsContact O-CA 3.32Å; L43-F99 WeakPolarHBondContact O-CA 3.32Å; F44-F99 HydrophobicContact CB-CD1 4.08Å; F44-F99 HydrophobicContact CB-CE1 4.21Å; F44-F99 AromaticContact CD2-CD1 3.52Å; F44-F99 HydrophobicContact CD2-CD1 3.52Å; F44-F99 HydrophobicContact CD2-CD2 4.28Å; F44-F99 AromaticContact CD2-CE1 3.12Å; F44-F99 HydrophobicContact CD2-CE1 3.12Å; F44-F99 AromaticContact CD2-CE2 3.93Å; F44-F99 HydrophobicContact CD2-CE2 3.93Å; F44-F99 HydrophobicContact CD2-CG 4.09Å; F44-F99 AromaticContact CD2-CZ 3.35Å; F44-F99 HydrophobicContact CD2-CZ 3.35Å; F44-F99 HydrophobicContact CE2-CD1 4.35Å; F44-F99 AromaticContact CE2-CE1 3.6Å; F44-F99 HydrophobicContact CE2-CE1 3.6Å; F44-F99 AromaticContact CE2-CE2 3.88Å; F44-F99 HydrophobicContact CE2-CE2 3.88Å; F44-F99 AromaticContact CE2-CZ 3.32Å; F44-F99 HydrophobicContact CE2-CZ 3.32Å; F44-F99 HydrophobicContact CG-CD1 4.22Å; F44-F99 AromaticContact CG-CE1 3.93Å; F44-F99 HydrophobicContact CG-CE1 3.93Å; F44-F99 HydrophobicContact CG-CZ 4.49Å; F44-F99 HydrophobicContact CZ-CZ 4.46Å; C90-F99 CarbonylContact C-O 3.48Å; C90-F99 WeakPolarHBondContact CA-O 3.42Å; K91-F99 PolarHBondContact N-O 3.48Å; K91-F99 PolarHBondContact O-N 3.21Å; L93-F99 HydrophobicContact CD1-CE2 3.64Å; L93-F99 HydrophobicContact CD1-CZ 4.13Å; L93-F99 HydrophobicContact CG-CE2 3.95Å; A97-F99 HydrophobicContact CB-CE2 4.49Å
100M96Very high91.5Very high0 Ų049.6 Ų49.60%026%0.259CS..EExtended strand (participates in β ladder)trans-116.6114.8172.5-179.7-175.169.200109T42 L43 W58 I69 L88 Q89 I102 Y113T42-M100 CarbonylContact C-O 3.51Å; T42-M100 WeakPolarHBondContact CA-O 3.41Å; L43-M100 HydrophobicContact CB-CE 4.26Å; L43-M100 HydrophobicContact CD1-CE 3.61Å; L43-M100 HydrophobicContact CG-CE 4.11Å; L43-M100 PolarHBondContact N-O 3.49Å; L43-M100 PolarHBondContact O-N 3.39Å; W58-M100 HydrophobicContact CB-SD 3.62Å; W58-M100 HydrophobicContact CD2-CB 3.6Å; W58-M100 HydrophobicContact CD2-CE 4.24Å; W58-M100 HydrophobicContact CD2-CG 4.18Å; W58-M100 HydrophobicContact CD2-SD 3.67Å; W58-M100 HydrophobicContact CE3-CB 3.96Å; W58-M100 HydrophobicContact CE3-CE 3.65Å; W58-M100 HydrophobicContact CE3-CG 4.48Å; W58-M100 HydrophobicContact CE3-SD 3.69Å; W58-M100 HydrophobicContact CG-CB 4.06Å; W58-M100 HydrophobicContact CG-CG 4.26Å; W58-M100 HydrophobicContact CG-SD 3.66Å; W58-M100 HydrophobicContact CH2-CB 4.09Å; W58-M100 HydrophobicContact CZ2-CB 3.77Å; W58-M100 HydrophobicContact CZ3-CB 4.18Å; W58-M100 HydrophobicContact CZ3-CE 4.02Å; I69-M100 HydrophobicContact CD1-CE 4.32Å; I69-M100 HydrophobicContact CD1-SD 3.62Å; I69-M100 HydrophobicContact CG1-SD 4.38Å; L88-M100 HydrophobicContact CD1-CG 3.96Å; L88-M100 HydrophobicContact CD1-SD 3.72Å; L88-M100 HydrophobicContact CD2-CG 3.95Å; L88-M100 HydrophobicContact CD2-SD 4.37Å; L88-M100 HydrophobicContact CG-CG 3.88Å; L88-M100 HydrophobicContact CG-SD 4.29Å; Q89-M100 CarbonylContact O-C 3.49Å; Q89-M100 VanDerWaalsContact O-CA 3.29Å; Q89-M100 WeakPolarHBondContact O-CA 3.33Å; M100-I102 HydrophobicContact CE-CD1 4.17Å; M100-I102 HydrophobicContact CE-CG1 4.42Å; M100-Y113 HydrophobicContact CE-CD1 3.72Å; M100-Y113 HydrophobicContact CE-CE1 4.31Å; M100-Y113 HydrophobicContact CE-CG 4Å
101T97.4Very high91.7Very high24 Ų2450.3 Ų50.315%0.14726%0.264CS..EExtended strand (participates in β ladder)trans-102.1123.8177.1-52.70000109.7V41 T42 L88 Q89V41-T101 CarbonylContact O-C 3.58Å; V41-T101 VanDerWaalsContact O-CA 3.24Å; V41-T101 WeakPolarHBondContact O-CA 3.45Å; T42-T101 PolarHBondContact OG1-OG1 3.49Å; L88-T101 CarbonylContact C-O 3.51Å; L88-T101 VanDerWaalsContact CA-O 3.28Å; L88-T101 WeakPolarHBondContact CA-O 3.14Å; Q89-T101 PolarHBondContact N-O 3.35Å; Q89-T101 PolarHBondContact O-N 2.85Å
102I97.9Very high92Very high0 Ų045.6 Ų45.60%025%0.248CC..EExtended strand (participates in β ladder)trans-103.5124170.8-52.7175.5000107.6N40 V41 Y84 L88 M100 V105 Y113N40-I102 VanDerWaalsContact CA-O 3.32Å; N40-I102 WeakPolarHBondContact CA-O 3.38Å; V41-I102 HydrophobicContact CG1-CB 4.03Å; V41-I102 PolarHBondContact N-O 3.4Å; V41-I102 PolarHBondContact O-N 3.4Å; Y84-I102 HydrophobicContact CE1-CD1 4.36Å; Y84-I102 HydrophobicContact CE1-CG2 4.29Å; L88-I102 HydrophobicContact CD1-CG1 4.18Å; M100-I102 HydrophobicContact CE-CD1 4.17Å; M100-I102 HydrophobicContact CE-CG1 4.42Å; I102-V105 HydrophobicContact CB-CG1 4.23Å; I102-V105 HydrophobicContact CG2-CG1 4.1Å; I102-Y113 HydrophobicContact CD1-CE1 4Å; I102-Y113 HydrophobicContact CD1-CE2 4.47Å
103Q97.8Very high92.4Very high67 Ų6744.2 Ų44.231%0.31324%0.239SC..SBendtrans-92.1136.5-179.1-61.8-177.7-4.900111.5N40 R87N40-Q103 VanDerWaalsContact OD1-CA 3.25Å; N40-Q103 WeakPolarHBondContact OD1-CA 3.32Å; R87-Q103 PolarHBondContact NE-O 3.44Å; R87-Q103 PolarHBondContact NH2-O 2.99Å; R87-Q103 WeakPolarHBondContact O-CB 3.23Å; R87-Q103 PolarHBondContact O-N 2.77Å
104G97.1Very high93Very high27 Ų2742.9 Ų42.928%0.27823%0.229SC..SBendtrans52.365.2179.400000112.1R39 N40 R87R39-G104 PolarHBondContact O-N 3.49Å; N40-G104 PolarHBondContact OD1-N 3Å; R87-G104 PolarHBondContact NH2-O 3.42Å
105V97.8Very high94Very high0 Ų035.1 Ų35.10%019%0.193CC..  trans-60.3142-175.7-61.70000111.8A35 V36 G38 R39 V41 I102 I133A35-V105 HydrophobicContact CB-CG2 3.99Å; V36-V105 VanDerWaalsContact O-CG2 3.25Å; V36-V105 WeakPolarHBondContact O-CG2 3.31Å; G38-V105 PolarHBondContact N-O 3.49Å; R39-V105 WeakPolarHBondContact O-CG2 3.17Å; R39-V105 PolarHBondContact O-N 2.85Å; V41-V105 HydrophobicContact CB-CG1 4.13Å; V41-V105 HydrophobicContact CG1-CG1 3.48Å; V41-V105 VanDerWaalsContact CG1-CG1 3.48Å; I102-V105 HydrophobicContact CB-CG1 4.23Å; I102-V105 HydrophobicContact CG2-CG1 4.1Å; V105-I133 HydrophobicContact CB-CD1 3.96Å; V105-I133 HydrophobicContact CG2-CD1 3.81Å
106T96.7Very high95.2Very high55 Ų5532.6 Ų32.634%0.33718%0.175SC..  trans-117.9171.8174.170.80000110.5E108 D109T106-E108 PolarHBondContact O-N 3.49Å; T106-E108 PolarHBondContact OG1-N 3.46Å; T106-D109 PolarHBondContact N-OD2 2.86Å; T106-D109 WeakPolarHBondContact O-CB 3.31Å; T106-D109 PolarHBondContact O-N 2.8Å; T106-D109 PolarHBondContact OG1-OD2 2.79Å
107F96.2Very high95.8Very high41 Ų4130.7 Ų30.718%0.1816%0.162CC..G310 helixtrans-61.5-25.5174.6-64.9-65.3000113.2L37 D109 E110 I133 T135 K162 N188 T190L37-F107 HydrophobicContact CD1-CD2 4.06Å; L37-F107 HydrophobicContact CD1-CE1 4.45Å; L37-F107 HydrophobicContact CD1-CE2 3.94Å; L37-F107 HydrophobicContact CD1-CG 4.4Å; L37-F107 HydrophobicContact CD1-CZ 4.15Å; L37-F107 HydrophobicContact CD2-CE2 3.81Å; L37-F107 HydrophobicContact CD2-CZ 3.93Å; F107-D109 PolarHBondContact O-N 3.31Å; F107-E110 WeakPolarHBondContact O-CB 3.18Å; F107-E110 PolarHBondContact O-N 3.07Å; F107-E110 VanDerWaalsContact O-N 3.13Å; F107-I133 HydrophobicContact CD1-CB 4.15Å; F107-I133 HydrophobicContact CD1-CG2 4.09Å; F107-I133 HydrophobicContact CE1-CB 4.43Å; F107-I133 HydrophobicContact CE1-CG2 4.08Å; F107-T135 HydrophobicContact CE1-CG2 4.42Å; F107-T135 HydrophobicContact CZ-CG2 3.88Å; F107-K162 HydrophobicContact CD1-CD 4.49Å; F107-K162 HydrophobicContact CE1-CD 3.94Å; F107-N188 HydrophobicContact CB-CB 4.16Å; F107-N188 HydrophobicContact CD1-CB 4Å; F107-N188 HydrophobicContact CD2-CB 3.45Å; F107-N188 VanDerWaalsContact CD2-CB 3.45Å; F107-N188 VanDerWaalsContact CD2-CG 3.45Å; F107-N188 VanDerWaalsContact CD2-ND2 3.26Å; F107-N188 WeakPolarHBondContact CD2-ND2 3.39Å; F107-N188 HydrophobicContact CE1-CB 4.22Å; F107-N188 HydrophobicContact CE2-CB 3.68Å; F107-N188 HydrophobicContact CG-CB 3.6Å; F107-N188 HydrophobicContact CZ-CB 4.05Å; F107-T190 HydrophobicContact CE1-CG2 4.42Å; F107-T190 HydrophobicContact CZ-CG2 3.86Å
108E94.6Very high95.9Very high138 Ų13831.9 Ų31.965%0.64517%0.167SC*.G310 helixtrans-66.6-22.3173.6-64.4-58.7144.100112.6K60 T106 E110K60-E108 WeakPolarHBondContact CE-O 3.38Å; K60-E108 PolarHBondContact NZ-O 3.41Å; T106-E108 PolarHBondContact O-N 3.49Å; T106-E108 PolarHBondContact OG1-N 3.46Å; E108-E110 VanDerWaalsContact C-N 3.29Å
109D95.8Very high95.8Very high4 Ų432.3 Ų32.32%0.02117%0.169CC..G310 helixtrans-82.4-6.8176.5-61.6-47.2000112.6Y84 R87 T106 F107 A111 Y113Y84-D109 WeakPolarHBondContact CE1-OD1 3.39Å; Y84-D109 PolarHBondContact OH-OD1 2.77Å; R87-D109 IonicContact CZ-OD2 3.7Å; R87-D109 IonicContact NH1-OD2 3.78Å; R87-D109 IonicContact NH2-OD2 2.76Å; R87-D109 PolarHBondContact NH2-OD2 2.74Å; T106-D109 PolarHBondContact N-OD2 2.86Å; T106-D109 WeakPolarHBondContact O-CB 3.31Å; T106-D109 PolarHBondContact O-N 2.8Å; T106-D109 PolarHBondContact OG1-OD2 2.79Å; F107-D109 PolarHBondContact O-N 3.31Å; D109-A111 PolarHBondContact O-N 2.71Å; D109-Y113 WeakPolarHBondContact CA-OH 3.41Å; D109-Y113 VanDerWaalsContact O-CE2 3.31Å; D109-Y113 WeakPolarHBondContact O-CE2 3.38Å; D109-Y113 PolarHBondContact O-OH 3.38Å
110E95.7Very high95.5Very high76 Ų7637.6 Ų37.636%0.35519%0.192SC..  trans-67.3102.3173.3-173.2154129.700110.5F107 E108 I133 K162F107-E110 WeakPolarHBondContact O-CB 3.18Å; F107-E110 PolarHBondContact O-N 3.07Å; F107-E110 VanDerWaalsContact O-N 3.13Å; E108-E110 VanDerWaalsContact C-N 3.29Å; E110-I133 HydrophobicContact CB-CG1 4Å; E110-I133 WeakPolarHBondContact OE2-CB 3.3Å; E110-I133 PolarHBondContact OE2-N 2.72Å; E110-K162 IonicContact OE1-NZ 2.7Å; E110-K162 PolarHBondContact OE1-NZ 3.06Å; E110-K162 IonicContact OE2-NZ 3.87Å; E110-K162 PolarHBondContact OE2-NZ 2.97Å
111A96.1Very high95.1Very high16 Ų1642.6 Ų42.613%0.13223%0.225CC..SBendtrans-164.6172.7-176.200000110.8K60 D109 Y113 L131K60-A111 HydrophobicContact CD-CB 4.4Å; K60-A111 HydrophobicContact CG-CB 3.87Å; D109-A111 PolarHBondContact O-N 2.71Å; A111-Y113 HydrophobicContact CB-CE2 4.08Å; A111-Y113 WeakPolarHBondContact O-CD2 3.45Å; A111-L131 PolarHBondContact O-N 3.22Å
112C96.9Very high94.6Very high32 Ų3249.4 Ų49.422%0.21625%0.248CC..EExtended strand (participates in β ladder)trans-88.3135164-57.30000110.5I61 Q128 C130I61-C112 HydrophobicContact CB-CB 4.33Å; I61-C112 VanDerWaalsContact CB-O 3.29Å; I61-C112 WeakPolarHBondContact CB-O 3.33Å; I61-C112 HydrophobicContact CD1-CB 4.16Å; I61-C112 WeakPolarHBondContact CG1-O 3.47Å; I61-C112 PolarHBondContact N-O 2.69Å; C112-Q128 HydrophobicContact CB-CG 4.09Å; C112-C130 HydrophobicContact CB-CB 4.14Å; C112-C130 WeakPolarHBondContact CB-SG 3.27Å; C112-C130 WeakPolarHBondContact SG-CB 3.47Å; C112-C130 CovalentContact SG-SG 2.06Å; C112-C130 PolarHBondContact SG-SG 2.97Å
113Y97Very high94.3Very high1 Ų151.1 Ų51.10%0.00427%0.265CS..EExtended strand (participates in β ladder)trans-114139.6179.2-66-91.2000109.8L43 Q59 K60 I69 Y84 M100 I102 D109 A111 Q128 T129 L131L43-Y113 HydrophobicContact CD1-CD2 3.76Å; L43-Y113 HydrophobicContact CD1-CG 3.79Å; Q59-Y113 CarbonylContact O-C 3.5Å; Q59-Y113 WeakPolarHBondContact O-CA 3.13Å; K60-Y113 HydrophobicContact CB-CD1 4.15Å; K60-Y113 HydrophobicContact CB-CE1 3.91Å; K60-Y113 HydrophobicContact CD-CE1 4.31Å; K60-Y113 HydrophobicContact CG-CD1 4.37Å; K60-Y113 HydrophobicContact CG-CE1 3.84Å; I69-Y113 HydrophobicContact CD1-CD1 3.67Å; I69-Y113 HydrophobicContact CD1-CE1 3.7Å; Y84-Y113 PolarHBondContact OH-OH 2.99Å; M100-Y113 HydrophobicContact CE-CD1 3.72Å; M100-Y113 HydrophobicContact CE-CE1 4.31Å; M100-Y113 HydrophobicContact CE-CG 4Å; I102-Y113 HydrophobicContact CD1-CE1 4Å; I102-Y113 HydrophobicContact CD1-CE2 4.47Å; D109-Y113 WeakPolarHBondContact CA-OH 3.41Å; D109-Y113 VanDerWaalsContact O-CE2 3.31Å; D109-Y113 WeakPolarHBondContact O-CE2 3.38Å; D109-Y113 PolarHBondContact O-OH 3.38Å; A111-Y113 HydrophobicContact CB-CE2 4.08Å; A111-Y113 WeakPolarHBondContact O-CD2 3.45Å; Y113-Q128 CarbonylContact O-C 3.48Å; Y113-Q128 WeakPolarHBondContact O-CA 3.42Å; Y113-T129 PolarHBondContact N-O 3.2Å; Y113-T129 PolarHBondContact O-N 3.26Å; Y113-L131 HydrophobicContact CD2-CB 4.1Å; Y113-L131 HydrophobicContact CE2-CB 3.9Å; Y113-L131 HydrophobicContact CE2-CD2 3.94Å
114K96.2Very high94Very high73 Ų7351 Ų5132%0.31727%0.272SS..EExtended strand (participates in β ladder)trans-117.7127.7179.1-161.8175.9-172.4175.50109.9W58 Q59 I61 L116 G127W58-K114 CarbonylContact C-O 3.52Å; W58-K114 WeakPolarHBondContact CA-O 3.46Å; Q59-K114 HydrophobicContact CB-CB 4.28Å; Q59-K114 PolarHBondContact N-O 3.49Å; Q59-K114 PolarHBondContact O-N 3.49Å; I61-K114 HydrophobicContact CD1-CB 4.31Å; K114-L116 HydrophobicContact CD-CD2 3.78Å; K114-L116 HydrophobicContact CD-CG 4.47Å; K114-L116 HydrophobicContact CG-CD2 3.94Å; K114-L116 HydrophobicContact CG-CG 4.39Å; K114-G127 WeakPolarHBondContact CA-O 3.47Å; K114-G127 WeakPolarHBondContact CG-O 3.4Å
115C95.5Very high93.7Very high0 Ų052.2 Ų52.20%027%0.271CS..EExtended strand (participates in β ladder)trans-94.9134.6166.957.90000108.4C45 T57 W58 G126 G127C45-C115 HydrophobicContact CB-CB 3.62Å; C45-C115 WeakPolarHBondContact CB-SG 3.37Å; C45-C115 WeakPolarHBondContact SG-CB 3.31Å; C45-C115 CovalentContact SG-SG 2.01Å; C45-C115 PolarHBondContact SG-SG 2.93Å; T57-C115 CarbonylContact O-C 3.53Å; W58-C115 HydrophobicContact CD2-CB 4.13Å; W58-C115 HydrophobicContact CE3-CB 3.9Å; W58-C115 HydrophobicContact CH2-CB 3.73Å; W58-C115 HydrophobicContact CZ2-CB 3.94Å; W58-C115 HydrophobicContact CZ3-CB 3.7Å; C115-G126 CarbonylContact O-C 3.55Å; C115-G126 WeakPolarHBondContact O-CA 3.34Å; C115-G127 PolarHBondContact N-O 3.36Å; C115-G127 PolarHBondContact O-N 2.75Å; C115-G127 PolarHBondContact SG-O 2.67Å; C115-G127 VanDerWaalsContact SG-O 3.36Å
116L95Very high93.4Very high21 Ų2153.9 Ų53.911%0.1129%0.288CS..EExtended strand (participates in β ladder)trans-126.3118.2180-62.5178.9000109.7I56 T57 Q59 K114I56-L116 CarbonylContact C-O 3.59Å; I56-L116 VanDerWaalsContact CA-O 3.28Å; I56-L116 WeakPolarHBondContact CA-O 3.46Å; T57-L116 PolarHBondContact N-O 3.17Å; T57-L116 PolarHBondContact O-N 2.94Å; Q59-L116 VanDerWaalsContact CD-CD1 3.48Å; Q59-L116 HydrophobicContact CG-CD1 4.21Å; K114-L116 HydrophobicContact CD-CD2 3.78Å; K114-L116 HydrophobicContact CD-CG 4.47Å; K114-L116 HydrophobicContact CG-CD2 3.94Å; K114-L116 HydrophobicContact CG-CG 4.39Å
117F94Very high93.2Very high0 Ų051.5 Ų51.50%027%0.274CS..EExtended strand (participates in β ladder)trans-89.2109.9169.5-63.7-95.2000108.6I27 C45 F47 V53 I56 S96 S124 H125I27-F117 HydrophobicContact CD1-CD2 4.11Å; I27-F117 HydrophobicContact CG1-CD2 4.45Å; I27-F117 HydrophobicContact CG2-CE2 4.28Å; C45-F117 HydrophobicContact CB-CE2 3.92Å; C45-F117 HydrophobicContact CB-CZ 4.1Å; F47-F117 HydrophobicContact CB-CD1 3.73Å; F47-F117 HydrophobicContact CB-CD2 3.85Å; F47-F117 HydrophobicContact CB-CE1 3.72Å; F47-F117 HydrophobicContact CB-CE2 3.84Å; F47-F117 HydrophobicContact CB-CG 3.8Å; F47-F117 HydrophobicContact CB-CZ 3.78Å; F47-F117 HydrophobicContact CD1-CB 4.39Å; F47-F117 HydrophobicContact CD1-CD1 4.49Å; F47-F117 HydrophobicContact CD1-CG 4.41Å; F47-F117 HydrophobicContact CG-CB 4.4Å; F47-F117 HydrophobicContact CG-CD1 4.32Å; F47-F117 HydrophobicContact CG-CD2 4.29Å; F47-F117 HydrophobicContact CG-CG 4.08Å; V53-F117 HydrophobicContact CG1-CB 4.29Å; V53-F117 HydrophobicContact CG1-CD1 3.91Å; V53-F117 HydrophobicContact CG2-CB 4.37Å; V53-F117 HydrophobicContact CG2-CD1 4Å; I56-F117 HydrophobicContact CD1-CD1 4.17Å; I56-F117 HydrophobicContact CD1-CE1 3.86Å; I56-F117 HydrophobicContact CG1-CD1 3.86Å; I56-F117 HydrophobicContact CG1-CE1 4.02Å; S96-F117 WeakPolarHBondContact O-CE1 3.42Å; F117-S124 WeakPolarHBondContact O-CA 3.14Å; F117-H125 PolarHBondContact N-O 2.92Å; F117-H125 PolarHBondContact O-N 2.81Å
118N92.8Very high93.1Very high34 Ų3453.6 Ų53.618%0.18228%0.284CS..EExtended strand (participates in β ladder)trans-91.7120.4-177.8-53.5-72.3000110.1L54 Q55 T57 S124L54-N118 PolarHBondContact N-O 3.44Å; Q55-N118 HydrophobicContact CB-CB 4.41Å; Q55-N118 WeakPolarHBondContact O-CB 3.48Å; Q55-N118 PolarHBondContact O-N 3.36Å; Q55-N118 PolarHBondContact O-ND2 3.37Å; T57-N118 PolarHBondContact OG1-ND2 3.49Å; T57-N118 VanDerWaalsContact OG1-ND2 3.08Å; N118-S124 WeakPolarHBondContact OD1-CB 3.34Å; N118-S124 PolarHBondContact OD1-OG 3.4Å
119I91.4Very high93.2Very high9 Ų947.1 Ų47.15%0.04625%0.254CS..EExtended strand (participates in β ladder)trans-130.2122.8-174.9-64147.2000108.3F47 A51 V53 P121 R122 G123F47-I119 HydrophobicContact CD1-CD1 4.19Å; F47-I119 HydrophobicContact CE1-CD1 3.26Å; F47-I119 HydrophobicContact CZ-CD1 3.62Å; A51-I119 HydrophobicContact CB-CD1 3.91Å; A51-I119 HydrophobicContact CB-CG1 4.27Å; A51-I119 HydrophobicContact CB-CG2 4.07Å; V53-I119 HydrophobicContact CG2-CD1 4.36Å; V53-I119 HydrophobicContact CG2-CG1 4.18Å; I119-P121 CarbonylContact O-C 3.58Å; I119-R122 HydrophobicContact CB-CB 4.39Å; I119-R122 HydrophobicContact CG2-CB 4.01Å; I119-R122 HydrophobicContact CG2-CG 4.29Å; I119-R122 CarbonylContact O-C 3.51Å; I119-R122 PolarHBondContact O-N 2.93Å; I119-G123 PolarHBondContact N-O 2.85Å; I119-G123 PolarHBondContact O-N 3.26Å
120F87.4Confident93.3Very high171 Ų17148 Ų4875%0.7526%0.261SS*.THydrogen-bonded Turntrans-88.7137.7174-173.8-97.2000110.8L54L54-F120 HydrophobicContact CD1-CB 3.53Å
121P88.7Confident93.4Very high106 Ų10644.6 Ų44.669%0.68824%0.244SC*.THydrogen-bonded Turncis-89.910-7.336.7-35.9000113.6I119 G123I119-P121 CarbonylContact O-C 3.58Å; P121-G123 PolarHBondContact O-N 2.94Å
122R86.4Confident93.5Very high166 Ų16646.3 Ų46.363%0.62625%0.254SS*.THydrogen-bonded Turntrans-71.6-7.8-171.2-61.9-175.8179.7171.30.8115I119I119-R122 HydrophobicContact CB-CB 4.39Å; I119-R122 HydrophobicContact CG2-CB 4.01Å; I119-R122 HydrophobicContact CG2-CG 4.29Å; I119-R122 CarbonylContact O-C 3.51Å; I119-R122 PolarHBondContact O-N 2.93Å
123G90.8Very high93.5Very high36 Ų3644.8 Ų44.837%0.37124%0.243SC..EExtended strand (participates in β ladder)trans83.4-153.5-178.300000112.6I119 P121I119-G123 PolarHBondContact N-O 2.85Å; I119-G123 PolarHBondContact O-N 3.26Å; P121-G123 PolarHBondContact O-N 2.94Å
124S91.4Very high93.6Very high65 Ų6545.7 Ų45.746%0.45525%0.248SC..EExtended strand (participates in β ladder)trans-111.1131-174.7-50.50000111.2F117 N118F117-S124 WeakPolarHBondContact O-CA 3.14Å; N118-S124 WeakPolarHBondContact OD1-CB 3.34Å; N118-S124 PolarHBondContact OD1-OG 3.4Å
125H91.6Very high93.6Very high53 Ų5343.7 Ų43.725%0.24524%0.242CC..EExtended strand (participates in β ladder)trans-114.1134.1172.7-61.8-65.3000109.4R26 I27 F47 F117R26-H125 PolarHBondContact NH1-NE2 3.45Å; I27-H125 HydrophobicContact CD1-CB 3.97Å; I27-H125 WeakPolarHBondContact CD1-O 3.43Å; F47-H125 HydrophobicContact CE2-CB 3.77Å; F47-H125 HydrophobicContact CZ-CB 4.2Å; F47-H125 AromaticContact CZ-CD2 3.73Å; F117-H125 PolarHBondContact N-O 2.92Å; F117-H125 PolarHBondContact O-N 2.81Å
126G90.5Very high93.8Very high35 Ų3544.4 Ų44.436%0.36125%0.246SC..EExtended strand (participates in β ladder)trans-145.9154-175.200000116C115C115-G126 CarbonylContact O-C 3.55Å; C115-G126 WeakPolarHBondContact O-CA 3.34Å
127G93.2Very high93.9Very high4 Ų445.5 Ų45.54%0.04126%0.255CS..EExtended strand (participates in β ladder)trans-109.3155.6170.100000110.4K114 C115K114-G127 WeakPolarHBondContact CA-O 3.47Å; K114-G127 WeakPolarHBondContact CG-O 3.4Å; C115-G127 PolarHBondContact N-O 3.36Å; C115-G127 PolarHBondContact O-N 2.75Å; C115-G127 PolarHBondContact SG-O 2.67Å; C115-G127 VanDerWaalsContact SG-O 3.36Å
128Q95.2Very high94Very high85 Ų8552.5 Ų52.540%0.39729%0.288SS..EExtended strand (participates in β ladder)trans-122.3131.3179.6-177.8175.8-50.500110.4H29 I61 C112 Y113H29-Q128 PolarHBondContact CE1-O 3.3Å; H29-Q128 PolarHBondContact ND1-O 3.34Å; H29-Q128 VanDerWaalsContact ND1-O 3.1Å; I61-Q128 HydrophobicContact CD1-CG 4.05Å; C112-Q128 HydrophobicContact CB-CG 4.09Å; Y113-Q128 CarbonylContact O-C 3.48Å; Y113-Q128 WeakPolarHBondContact O-CA 3.42Å
129T96.9Very high94.3Very high3 Ų351 Ų512%0.01828%0.28CS..EExtended strand (participates in β ladder)trans-124.9125.4176.5-55.90000109.2K30 N31 E33 L43 Y113K30-T129 HydrophobicContact CB-CG2 4.44Å; K30-T129 VanDerWaalsContact O-CB 3.29Å; K30-T129 WeakPolarHBondContact O-CB 3.21Å; K30-T129 WeakPolarHBondContact O-CG2 3.22Å; K30-T129 PolarHBondContact O-OG1 3.08Å; N31-T129 WeakPolarHBondContact O-CA 3.39Å; E33-T129 HydrophobicContact CB-CG2 3.97Å; L43-T129 HydrophobicContact CD2-CG2 4.12Å; Y113-T129 PolarHBondContact N-O 3.2Å; Y113-T129 PolarHBondContact O-N 3.26Å
130C97.1Very high94.6Very high23 Ų2354.7 Ų54.716%0.15530%0.303CS..EExtended strand (participates in β ladder)trans-94124175.4-59.60000110.9N31 Y32 E33 C112N31-C130 PolarHBondContact O-N 2.68Å; Y32-C130 CarbonylContact C-O 3.54Å; Y32-C130 VanDerWaalsContact CA-O 3.31Å; Y32-C130 WeakPolarHBondContact CA-O 3.08Å; Y32-C130 HydrophobicContact CD1-CB 3.94Å; Y32-C130 HydrophobicContact CE1-CB 4.18Å; E33-C130 PolarHBondContact N-O 3.15Å; C112-C130 HydrophobicContact CB-CB 4.14Å; C112-C130 WeakPolarHBondContact CB-SG 3.27Å; C112-C130 WeakPolarHBondContact SG-CB 3.47Å; C112-C130 CovalentContact SG-SG 2.06Å; C112-C130 PolarHBondContact SG-SG 2.97Å
131L97.6Very high95.1Very high3 Ų347.9 Ų47.92%0.01628%0.275CS..EExtended strand (participates in β ladder)trans-96.4128.8-178.7178.161.9000109.7E33 A35 V41 A111 Y113 I133E33-L131 HydrophobicContact CB-CD1 4.32Å; E33-L131 HydrophobicContact CG-CD1 4.47Å; E33-L131 CarbonylContact O-C 3.52Å; E33-L131 WeakPolarHBondContact O-CA 3.49Å; A35-L131 HydrophobicContact CB-CD1 3.9Å; V41-L131 HydrophobicContact CG1-CD1 4.4Å; V41-L131 HydrophobicContact CG1-CD2 3.98Å; V41-L131 HydrophobicContact CG2-CD1 3.95Å; A111-L131 PolarHBondContact O-N 3.22Å; Y113-L131 HydrophobicContact CD2-CB 4.1Å; Y113-L131 HydrophobicContact CE2-CB 3.9Å; Y113-L131 HydrophobicContact CE2-CD2 3.94Å; L131-I133 HydrophobicContact CD1-CD1 4.34Å; L131-I133 HydrophobicContact CD2-CD1 3.97Å; L131-I133 HydrophobicContact CG-CD1 3.92Å
132T97Very high95.4Very high53 Ų5347.3 Ų47.333%0.32526%0.264SS..EExtended strand (participates in β ladder)trans-116.9130.5172.2-57.70000110.5E33 T34 A35 L134E33-T132 PolarHBondContact O-N 2.92Å; T34-T132 CarbonylContact C-O 3.46Å; T34-T132 VanDerWaalsContact CA-O 3.26Å; T34-T132 WeakPolarHBondContact CA-O 3.29Å; A35-T132 PolarHBondContact N-O 2.97Å; T132-L134 HydrophobicContact CG2-CD2 4.22Å
133I98Very high95.8Very high0 Ų041.8 Ų41.80%025%0.246CC..EExtended strand (participates in β ladder)trans-92.7129.3179.5-51.2-56.1000109.6A35 L37 V105 F107 E110 L131 K162A35-I133 HydrophobicContact CB-CD1 3.99Å; A35-I133 CarbonylContact O-C 3.5Å; A35-I133 WeakPolarHBondContact O-CA 3.29Å; L37-I133 HydrophobicContact CB-CG2 4.05Å; L37-I133 HydrophobicContact CD1-CG2 4.06Å; V105-I133 HydrophobicContact CB-CD1 3.96Å; V105-I133 HydrophobicContact CG2-CD1 3.81Å; F107-I133 HydrophobicContact CD1-CB 4.15Å; F107-I133 HydrophobicContact CD1-CG2 4.09Å; F107-I133 HydrophobicContact CE1-CB 4.43Å; F107-I133 HydrophobicContact CE1-CG2 4.08Å; E110-I133 HydrophobicContact CB-CG1 4Å; E110-I133 WeakPolarHBondContact OE2-CB 3.3Å; E110-I133 PolarHBondContact OE2-N 2.72Å; L131-I133 HydrophobicContact CD1-CD1 4.34Å; L131-I133 HydrophobicContact CD2-CD1 3.97Å; L131-I133 HydrophobicContact CG-CD1 3.92Å; I133-K162 WeakPolarHBondContact O-CD 3.47Å; I133-K162 PolarHBondContact O-NZ 2.92Å
134L98.4Very high95.8Very high20 Ų2044.8 Ų44.811%0.10525%0.251CS..EExtended strand (participates in β ladder)trans-110.7146.6178.8-51.6-178.8000110T34 A35 V36 L37 T132 K162 P219 V220T34-L134 HydrophobicContact CG2-CD1 4.14Å; T34-L134 HydrophobicContact CG2-CG 4.46Å; A35-L134 PolarHBondContact O-N 3.07Å; V36-L134 WeakPolarHBondContact CA-O 3.31Å; L37-L134 PolarHBondContact N-O 3.17Å; T132-L134 HydrophobicContact CG2-CD2 4.22Å; L134-K162 VanDerWaalsContact CA-O 3.23Å; L134-K162 WeakPolarHBondContact CA-O 3.49Å; L134-K162 WeakPolarHBondContact CB-O 3.35Å; L134-K162 WeakPolarHBondContact CD2-O 3.44Å; L134-P219 HydrophobicContact CD1-CB 4.2Å; L134-V220 HydrophobicContact CB-CG2 3.45Å; L134-V220 VanDerWaalsContact CB-CG2 3.45Å; L134-V220 HydrophobicContact CD1-CG2 4.1Å; L134-V220 HydrophobicContact CG-CG2 4.44Å
135T97.9Very high95.6Very high31 Ų3145.7 Ų45.719%0.1926%0.257CS..EExtended strand (participates in β ladder)trans-150.6153.3173.6-1710000110F107 G161 K162 T190 H218F107-T135 HydrophobicContact CE1-CG2 4.42Å; F107-T135 HydrophobicContact CZ-CG2 3.88Å; T135-G161 CarbonylContact O-C 3.59Å; T135-G161 WeakPolarHBondContact O-CA 3.45Å; T135-K162 HydrophobicContact CG2-CB 4.11Å; T135-K162 PolarHBondContact N-O 3.5Å; T135-K162 PolarHBondContact O-N 2.86Å; T135-T190 HydrophobicContact CG2-CG2 3.76Å; T135-H218 PolarHBondContact O-CE1 3.01Å; T135-H218 VanDerWaalsContact O-CE1 3.23Å; T135-H218 PolarHBondContact O-NE2 3.29Å
136V97.9Very high94.9Very high14 Ų1444.4 Ų44.49%0.08526%0.255CS..EExtended strand (participates in β ladder)trans-149.8133.5171.769.30000110.2V160 P165 M216 H218 V220 R221V136-V160 CarbonylContact C-O 3.45Å; V136-V160 VanDerWaalsContact CA-O 3.3Å; V136-V160 WeakPolarHBondContact CA-O 3.29Å; V136-P165 HydrophobicContact CG2-CB 4.42Å; V136-M216 HydrophobicContact CG2-CE 3.66Å; V136-M216 HydrophobicContact CG2-SD 3.69Å; V136-H218 HydrophobicContact CB-CB 4.42Å; V136-H218 HydrophobicContact CG2-CB 4Å; V136-V220 HydrophobicContact CG1-CB 3.99Å; V136-V220 HydrophobicContact CG1-CG1 4.1Å; V136-R221 HydrophobicContact CG1-CB 4.05Å
137S97.4Very high94.2Very high44 Ų4449.1 Ų49.131%0.30828%0.28SS..  trans-76.4176.2173.474.40000111.1V160 R221S137-V160 PolarHBondContact N-O 3.32Å; S137-V160 PolarHBondContact OG-N 3.05Å; S137-V160 PolarHBondContact OG-O 3.45Å; S137-R221 PolarHBondContact O-NH2 2.94Å
138E97Very high93.1Very high147 Ų14753.3 Ų53.369%0.68732%0.323SS*.  trans-70.2157.3166.1-64.8177.5178.500110.8V140E138-V140 PolarHBondContact O-N 3.32Å
139L98.3Very high92.2Very high3 Ų351 Ų512%0.01632%0.316CS..  trans-82.3112.6175.9177.263.8000110.4T141 A159 I167 V214 M216 E223 K225L139-T141 HydrophobicContact CD2-CG2 4.33Å; L139-T141 HydrophobicContact CG-CG2 4.07Å; L139-A159 HydrophobicContact CD1-CB 4.34Å; L139-I167 HydrophobicContact CD1-CD1 4.25Å; L139-V214 HydrophobicContact CD1-CG1 4.41Å; L139-V214 HydrophobicContact CD2-CB 4.05Å; L139-V214 HydrophobicContact CD2-CG1 3.73Å; L139-M216 HydrophobicContact CB-CB 4.44Å; L139-M216 HydrophobicContact CB-SD 4.5Å; L139-M216 HydrophobicContact CD1-CB 4.45Å; L139-M216 HydrophobicContact CD2-CB 4.21Å; L139-E223 PolarHBondContact N-OE1 2.86Å; L139-E223 VanDerWaalsContact N-OE1 3.15Å; L139-K225 HydrophobicContact CD2-CB 3.98Å; L139-K225 WeakPolarHBondContact O-CD 3.43Å; L139-K225 PolarHBondContact O-NZ 3.03Å
140V97.8Very high91.1Very high86 Ų8658.3 Ų58.352%0.52135%0.35SS..EExtended strand (participates in β ladder)trans-88.5133174.2-175.50000108.8E138 C157 S158E138-V140 PolarHBondContact O-N 3.32Å; V140-C157 CarbonylContact O-C 3.56Å; V140-C157 VanDerWaalsContact O-CA 3.3Å; V140-C157 WeakPolarHBondContact O-CA 3.47Å; V140-S158 PolarHBondContact N-O 3.45Å; V140-S158 PolarHBondContact O-N 2.95Å
141T97.7Very high90.7Very high28 Ų2860.2 Ų60.217%0.17236%0.359CS..EExtended strand (participates in β ladder)trans-137.6130.3179.856.20000108.8L139 L156 V214 K225 V227L139-T141 HydrophobicContact CD2-CG2 4.33Å; L139-T141 HydrophobicContact CG-CG2 4.07Å; T141-L156 CarbonylContact C-O 3.56Å; T141-L156 VanDerWaalsContact CA-O 3.27Å; T141-L156 WeakPolarHBondContact CA-O 3.27Å; T141-V214 HydrophobicContact CG2-CB 4.24Å; T141-V214 HydrophobicContact CG2-CG1 4.4Å; T141-V214 HydrophobicContact CG2-CG2 4.18Å; T141-K225 HydrophobicContact CG2-CD 3.86Å; T141-K225 HydrophobicContact CG2-CG 4.49Å; T141-K225 WeakPolarHBondContact OG1-CD 3.39Å; T141-K225 WeakPolarHBondContact OG1-CE 3.26Å; T141-K225 PolarHBondContact OG1-NZ 3.14Å; T141-V227 HydrophobicContact CG2-CG2 4.31Å
142E96.2Very high90.4Very high95 Ų9563.1 Ų63.144%0.44437%0.374SS..EExtended strand (participates in β ladder)trans-136.8124178.8-168.3-178.2160.800109.4Q144 L155 L156E142-Q144 HydrophobicContact CG-CG 4.31Å; E142-Q144 PolarHBondContact OE1-NE2 2.98Å; E142-L155 WeakPolarHBondContact O-CA 3.37Å; E142-L156 HydrophobicContact CB-CB 4.4Å; E142-L156 PolarHBondContact N-O 3.42Å; E142-L156 PolarHBondContact O-N 2.8Å
143L94Very high90.2Very high50 Ų5061.2 Ų61.226%0.26236%0.361SS..EExtended strand (participates in β ladder)trans-102.7120.9179.1-173.269.9000108.9H153 L155 V227 L229L143-H153 HydrophobicContact CD1-CB 3.79Å; L143-H153 HydrophobicContact CG-CB 4.34Å; L143-L155 HydrophobicContact CB-CD1 4.36Å; L143-L155 HydrophobicContact CD1-CB 3.89Å; L143-L155 HydrophobicContact CD1-CD1 4.3Å; L143-V227 HydrophobicContact CB-CG1 4.28Å; L143-V227 HydrophobicContact CD2-CG1 4.25Å; L143-L229 HydrophobicContact CD2-CD2 4.41Å
144Q91.7Very high90Very high98 Ų9862.7 Ų62.746%0.45837%0.372SS..EExtended strand (participates in β ladder)trans-122.5141.9178.6-62-178.912.900110.2E142 H153 S154E142-Q144 HydrophobicContact CG-CG 4.31Å; E142-Q144 PolarHBondContact OE1-NE2 2.98Å; Q144-H153 CarbonylContact O-C 3.56Å; Q144-H153 WeakPolarHBondContact O-CA 3.31Å; Q144-S154 PolarHBondContact N-O 2.81Å; Q144-S154 PolarHBondContact O-N 3.23Å
145S85.4Confident89.9Confident84 Ų8461.7 Ų61.759%0.58737%0.367SS*.EExtended strand (participates in β ladder)trans-70.6134.9173.6-52.60000110.2H153S145-H153 PolarHBondContact OG-NE2 2.83Å
146A78.7Confident89.8Confident26 Ų2663 Ų6322%0.21537%0.372CS..PPolyproline II helixtrans-71.5136178.600000110.4G148 S149 L152A146-G148 PolarHBondContact O-N 3.09Å; A146-S149 PolarHBondContact O-N 3.16Å; A146-L152 HydrophobicContact CB-CB 4.04Å; A146-L152 VanDerWaalsContact CB-O 3.23Å; A146-L152 WeakPolarHBondContact CB-O 3.45Å; A146-L152 PolarHBondContact N-O 2.97Å
147P74.1Confident89.8Confident135 Ų13562.3 Ų62.388%0.87737%0.368SS*.THydrogen-bonded Turntrans-62.1123.9178.324-31.4000110.4
148G71.3Confident89.9Confident91 Ų9161.5 Ų61.594%0.93836%0.362SS*.THydrogen-bonded Turntrans94.50.4175.100000116.5A146A146-G148 PolarHBondContact O-N 3.09Å
149S75Confident89.9Confident38 Ų3854.6 Ų54.627%0.26633%0.33SS..  trans-146.7127.4174.963.10000112.2A146 D151 L152A146-S149 PolarHBondContact O-N 3.16Å; S149-D151 VanDerWaalsContact C-N 3.27Å; S149-D151 PolarHBondContact O-N 2.84Å; S149-L152 WeakPolarHBondContact OG-CB 3.28Å
150E75.7Confident89.9Confident156 Ų15656.5 Ų56.573%0.72934%0.342SS*.SBendtrans-72.8-21.5175.1-60.7-163.7163.400112.9H153E150-H153 PolarHBondContact O-CE1 2.95Å
151D86.8Confident89.9Confident63 Ų6352.4 Ų52.434%0.33732%0.317SS..SBendtrans-92.6-15-175.2-74.9-35.8000114.4S149 L201 R205S149-D151 VanDerWaalsContact C-N 3.27Å; S149-D151 PolarHBondContact O-N 2.84Å; D151-L201 WeakPolarHBondContact O-CB 3.47Å; D151-L201 PolarHBondContact O-N 3.24Å; D151-R205 IonicContact OD1-NH1 3.37Å; D151-R205 PolarHBondContact OD1-NH1 3.4Å
152L91.8Very high89.9Confident64 Ų6452 Ų5234%0.33531%0.313SS..EExtended strand (participates in β ladder)trans-105.7134.3175.9-68.987.1000111.5A146 S149 V176 I199A146-L152 HydrophobicContact CB-CB 4.04Å; A146-L152 VanDerWaalsContact CB-O 3.23Å; A146-L152 WeakPolarHBondContact CB-O 3.45Å; A146-L152 PolarHBondContact N-O 2.97Å; S149-L152 WeakPolarHBondContact OG-CB 3.28Å; L152-V176 HydrophobicContact CD2-CG2 4.16Å; L152-I199 VanDerWaalsContact CA-O 3.31Å; L152-I199 WeakPolarHBondContact CA-O 3.24Å
153H92.8Very high89.9Confident12 Ų1250.7 Ų50.76%0.05631%0.313CS..EExtended strand (participates in β ladder)trans-126.7143.2176-73.253000109.8L143 Q144 S145 E150 I199 L201L143-H153 HydrophobicContact CD1-CB 3.79Å; L143-H153 HydrophobicContact CG-CB 4.34Å; Q144-H153 CarbonylContact O-C 3.56Å; Q144-H153 WeakPolarHBondContact O-CA 3.31Å; S145-H153 PolarHBondContact OG-NE2 2.83Å; E150-H153 PolarHBondContact O-CE1 2.95Å; H153-I199 PolarHBondContact N-O 3.37Å; H153-I199 PolarHBondContact O-N 3.42Å; H153-L201 WeakPolarHBondContact CE1-CD1 3.42Å; H153-L201 VanDerWaalsContact ND1-CD1 3.33Å; H153-L201 WeakPolarHBondContact ND1-CD1 3.43Å
154S93.8Very high90.1Very high31 Ų3150.3 Ų50.322%0.21732%0.317CS..EExtended strand (participates in β ladder)trans-96.2119.8172.6-176.30000109Q144 I196 Y197Q144-S154 PolarHBondContact N-O 2.81Å; Q144-S154 PolarHBondContact O-N 3.23Å; S154-I196 VanDerWaalsContact OG-CG2 3.31Å; S154-I196 WeakPolarHBondContact OG-CG2 3.44Å; S154-Y197 WeakPolarHBondContact CA-O 3.11Å
155L96.2Very high90.4Very high0 Ų045.8 Ų45.80%030%0.296CS..EExtended strand (participates in β ladder)trans-103.2107.8173.6174.461000109.1E142 L143 I169 I196 Y197 I199 L212 V214 V227E142-L155 WeakPolarHBondContact O-CA 3.37Å; L143-L155 HydrophobicContact CB-CD1 4.36Å; L143-L155 HydrophobicContact CD1-CB 3.89Å; L143-L155 HydrophobicContact CD1-CD1 4.3Å; L155-I169 HydrophobicContact CD2-CD1 3.68Å; L155-I196 WeakPolarHBondContact O-CA 3.49Å; L155-Y197 PolarHBondContact N-O 3.49Å; L155-Y197 PolarHBondContact O-N 2.87Å; L155-I199 HydrophobicContact CB-CG1 4.12Å; L155-L212 HydrophobicContact CD2-CD1 4.48Å; L155-V214 HydrophobicContact CD2-CG2 3.83Å; L155-V227 HydrophobicContact CD1-CG1 4.01Å; L155-V227 HydrophobicContact CD1-CG2 4.13Å; L155-V227 HydrophobicContact CD2-CG2 4.35Å
156L97.1Very high91Very high57 Ų5743 Ų4330%0.29828%0.281SS..EExtended strand (participates in β ladder)trans-86.3119.7174-179.871000109.2T141 E142 T194 I196T141-L156 CarbonylContact C-O 3.56Å; T141-L156 VanDerWaalsContact CA-O 3.27Å; T141-L156 WeakPolarHBondContact CA-O 3.27Å; E142-L156 HydrophobicContact CB-CB 4.4Å; E142-L156 PolarHBondContact N-O 3.42Å; E142-L156 PolarHBondContact O-N 2.8Å; L156-T194 HydrophobicContact CD1-CG2 3.41Å; L156-T194 VanDerWaalsContact CD1-CG2 3.41Å; L156-I196 HydrophobicContact CD1-CD1 4.2Å; L156-I196 HydrophobicContact CD1-CG1 3.75Å
157C97.8Very high92Very high0 Ų042.1 Ų42.10%027%0.272CS..EExtended strand (participates in β ladder)trans-116.3131.7174-57.40000109.2V140 I167 T194 K195 V214V140-C157 CarbonylContact O-C 3.56Å; V140-C157 VanDerWaalsContact O-CA 3.3Å; V140-C157 WeakPolarHBondContact O-CA 3.47Å; C157-I167 HydrophobicContact CB-CD1 4.39Å; C157-I167 HydrophobicContact CB-CG2 3.9Å; C157-T194 CarbonylContact O-C 3.57Å; C157-T194 WeakPolarHBondContact O-CA 3.38Å; C157-K195 PolarHBondContact N-O 2.85Å; C157-K195 PolarHBondContact O-N 2.9Å; C157-V214 HydrophobicContact CB-CG1 4.27Å
158S98.1Very high93.1Very high28 Ų2838.3 Ų38.320%0.19625%0.249CC..EExtended strand (participates in β ladder)trans-141.5138.4178.4-166.20000112.1V140 V193 T194V140-S158 PolarHBondContact N-O 3.45Å; V140-S158 PolarHBondContact O-N 2.95Å; S158-V193 VanDerWaalsContact CA-O 3.29Å; S158-V193 WeakPolarHBondContact CA-O 3.3Å; S158-V193 PolarHBondContact OG-O 2.81Å; S158-T194 PolarHBondContact OG-OG1 3.34Å; S158-T194 VanDerWaalsContact OG-OG1 3.08Å
159A98.1Very high94.3Very high1 Ų134.9 Ų34.91%0.00821%0.209CC..EExtended strand (participates in β ladder)trans-149.2148.4173.400000110.4L139 P165 I167 V193 M216L139-A159 HydrophobicContact CD1-CB 4.34Å; A159-P165 HydrophobicContact CB-CB 4.45Å; A159-P165 HydrophobicContact CB-CG 3.82Å; A159-I167 HydrophobicContact CB-CD1 4.3Å; A159-V193 PolarHBondContact N-O 2.88Å; A159-V193 PolarHBondContact O-N 3.08Å; A159-M216 HydrophobicContact CB-SD 3.49Å; A159-M216 WeakPolarHBondContact CB-SD 3.49Å
160V97.8Very high95.3Very high44 Ų4440.8 Ų40.827%0.26723%0.226SC..EExtended strand (participates in β ladder)trans-111134.2178.7-170.80000108.9V136 S137 V191 T192V136-V160 CarbonylContact C-O 3.45Å; V136-V160 VanDerWaalsContact CA-O 3.3Å; V136-V160 WeakPolarHBondContact CA-O 3.29Å; S137-V160 PolarHBondContact N-O 3.32Å; S137-V160 PolarHBondContact OG-N 3.05Å; S137-V160 PolarHBondContact OG-O 3.45Å; V160-V191 WeakPolarHBondContact CA-O 3.29Å; V160-T192 HydrophobicContact CG2-CG2 4.09Å; V160-T192 WeakPolarHBondContact CG2-OG1 3.23Å
161G97.8Very high96.2Very high0 Ų033.8 Ų33.80%020%0.195CC..EExtended strand (participates in β ladder)trans-156.6167.6175.800000114.9T135 P163 V191T135-G161 CarbonylContact O-C 3.59Å; T135-G161 WeakPolarHBondContact O-CA 3.45Å; G161-P163 CarbonylContact C-O 3.56Å; G161-V191 PolarHBondContact N-O 3.46Å; G161-V191 PolarHBondContact O-N 2.86Å
162K97.6Very high96.5Very high19 Ų1934.3 Ų34.38%0.08320%0.203CC..EExtended strand (participates in β ladder)trans-132.8106.1167.3-176.3172.8-175.6-78.40107.3F107 E110 I133 L134 T135 N188 A189 T190 H218F107-K162 HydrophobicContact CD1-CD 4.49Å; F107-K162 HydrophobicContact CE1-CD 3.94Å; E110-K162 IonicContact OE1-NZ 2.7Å; E110-K162 PolarHBondContact OE1-NZ 3.06Å; E110-K162 IonicContact OE2-NZ 3.87Å; E110-K162 PolarHBondContact OE2-NZ 2.97Å; I133-K162 WeakPolarHBondContact O-CD 3.47Å; I133-K162 PolarHBondContact O-NZ 2.92Å; L134-K162 VanDerWaalsContact CA-O 3.23Å; L134-K162 WeakPolarHBondContact CA-O 3.49Å; L134-K162 WeakPolarHBondContact CB-O 3.35Å; L134-K162 WeakPolarHBondContact CD2-O 3.44Å; T135-K162 HydrophobicContact CG2-CB 4.11Å; T135-K162 PolarHBondContact N-O 3.5Å; T135-K162 PolarHBondContact O-N 2.86Å; K162-N188 WeakPolarHBondContact CD-O 3.32Å; K162-A189 HydrophobicContact CD-CB 4.45Å; K162-T190 HydrophobicContact CB-CG2 4.14Å; K162-H218 PolarHBondContact O-NE2 2.85Å
163P97.3Very high96.6Very high67 Ų6737.3 Ų37.344%0.43522%0.215SC..SBendcis-69.2179.4-1.933.7-39.4000113.7G161 H218 P219G161-P163 CarbonylContact C-O 3.56Å; P163-H218 WeakPolarHBondContact CD-NE2 3.32Å; P163-H218 PolarHBondContact O-CD2 3.37Å; P163-H218 VanDerWaalsContact O-CD2 3.22Å; P163-H218 PolarHBondContact O-NE2 2.81Å; P163-P219 HydrophobicContact CG-CG 4.11Å
164A97.8Very high96.6Very high42 Ų4236.7 Ų36.735%0.34721%0.213SC..PPolyproline II helixtrans-55.1128.5175.600000111.3F183 V191 V193A164-F183 HydrophobicContact CB-CD1 4.34Å; A164-F183 HydrophobicContact CB-CE1 4.31Å; A164-V191 HydrophobicContact CB-CB 3.91Å; A164-V191 HydrophobicContact CB-CG1 3.86Å; A164-V191 HydrophobicContact CB-CG2 4.43Å; A164-V193 HydrophobicContact CB-CG2 3.86Å
165P98.2Very high96.5Very high3 Ų336.5 Ų36.52%0.01921%0.21CC..PPolyproline II helixtrans-72.2145177.628.3-34.3000111.5V136 A159 V193 M216 H218V136-P165 HydrophobicContact CG2-CB 4.42Å; A159-P165 HydrophobicContact CB-CB 4.45Å; A159-P165 HydrophobicContact CB-CG 3.82Å; P165-V193 HydrophobicContact CG-CB 4.25Å; P165-V193 HydrophobicContact CG-CG2 4.08Å; P165-M216 HydrophobicContact CB-CG 3.93Å; P165-M216 HydrophobicContact CB-SD 4.06Å; P165-H218 HydrophobicContact CB-CB 4.4Å
166G97.8Very high96.2Very high27 Ų2740.7 Ų40.728%0.27824%0.235SC..EExtended strand (participates in β ladder)trans-83.4135.3169.200000110.8M216 T217G166-M216 CarbonylContact O-C 3.58Å; G166-M216 VanDerWaalsContact O-CA 3.27Å; G166-M216 WeakPolarHBondContact O-CA 3.2Å; G166-T217 WeakPolarHBondContact CA-OG1 3.48Å; G166-T217 PolarHBondContact N-O 3.38Å; G166-T217 PolarHBondContact O-N 2.77Å; G166-T217 PolarHBondContact O-OG1 2.84Å
167I98.3Very high95.9Very high7 Ų742.5 Ų42.54%0.03624%0.242CC..EExtended strand (participates in β ladder)trans-120.8128.9175.6-58.2177.2000109.4L139 C157 A159 V193 K195 Y197 V214L139-I167 HydrophobicContact CD1-CD1 4.25Å; C157-I167 HydrophobicContact CB-CD1 4.39Å; C157-I167 HydrophobicContact CB-CG2 3.9Å; A159-I167 HydrophobicContact CB-CD1 4.3Å; I167-V193 HydrophobicContact CD1-CB 4.38Å; I167-V193 HydrophobicContact CD1-CG1 4.04Å; I167-V193 HydrophobicContact CG1-CG1 4.41Å; I167-K195 HydrophobicContact CB-CB 4.48Å; I167-K195 HydrophobicContact CB-CD 4.18Å; I167-K195 HydrophobicContact CG2-CB 4.36Å; I167-K195 HydrophobicContact CG2-CD 4.35Å; I167-K195 PolarHBondContact O-NZ 2.85Å; I167-K195 VanDerWaalsContact O-NZ 3.16Å; I167-Y197 HydrophobicContact CG2-CE2 4.39Å; I167-Y197 PolarHBondContact O-OH 2.84Å; I167-V214 HydrophobicContact CG2-CG1 3.84Å
168S97.3Very high95.7Very high55 Ų5546.4 Ų46.439%0.38528%0.275SS..EExtended strand (participates in β ladder)trans-134.8158.8178.863.20000111.3Y197 V214 S215S168-Y197 WeakPolarHBondContact CA-OH 3.41Å; S168-V214 CarbonylContact O-C 3.52Å; S168-V214 WeakPolarHBondContact O-CA 3.39Å; S168-S215 PolarHBondContact N-O 3.36Å; S168-S215 PolarHBondContact O-N 2.9Å; S168-S215 PolarHBondContact OG-O 2.82Å
169I97Very high95.5Very high18 Ų1847.2 Ų47.29%0.09228%0.279CS..EExtended strand (participates in β ladder)trans-128.3142.4179.9-165.7174.4000110.1L155 Y197 I199 L212 V213 V214L155-I169 HydrophobicContact CD2-CD1 3.68Å; I169-Y197 HydrophobicContact CB-CD1 4.27Å; I169-Y197 HydrophobicContact CB-CE1 3.89Å; I169-Y197 HydrophobicContact CB-CE2 4.3Å; I169-Y197 HydrophobicContact CD1-CD1 4.35Å; I169-Y197 HydrophobicContact CD1-CD2 4.37Å; I169-Y197 HydrophobicContact CD1-CG 4.13Å; I169-Y197 HydrophobicContact CG2-CD1 3.59Å; I169-Y197 HydrophobicContact CG2-CE1 3.29Å; I169-Y197 HydrophobicContact CG2-CG 4.34Å; I169-I199 HydrophobicContact CD1-CD1 3.73Å; I169-L212 HydrophobicContact CD1-CD1 3.98Å; I169-V213 CarbonylContact C-O 3.56Å; I169-V213 WeakPolarHBondContact CA-O 3.31Å; I169-V214 HydrophobicContact CG1-CG2 4.4Å
170Y96Very high95.4Very high162 Ų16250.1 Ų50.164%0.63529%0.293SS*.EExtended strand (participates in β ladder)trans-130.9137.2173.3-178.5-93.8000110.9V213Y170-V213 PolarHBondContact N-O 2.97Å; Y170-V213 PolarHBondContact O-N 3.26Å
171P94.8Very high95.4Very high10 Ų1051.6 Ų51.67%0.06530%0.297CS..SBendcis-72.5142.6-9.919.1-19.1000112.2Q173 V174 L209P171-Q173 PolarHBondContact O-N 2.77Å; P171-V174 HydrophobicContact CG-CG1 4.17Å; P171-V174 WeakPolarHBondContact O-CG2 3.32Å; P171-L209 HydrophobicContact CG-CD1 3.18Å; P171-L209 HydrophobicContact CG-CD2 4.21Å; P171-L209 HydrophobicContact CG-CG 4.32Å
172S93.9Very high95.4Very high74 Ų7457.7 Ų57.752%0.51732%0.321SS..G310 helixtrans-69.7-24.3-179.557.60000112.9V174 T175S172-V174 PolarHBondContact O-N 3.23Å; S172-V174 VanDerWaalsContact O-N 3.16Å; S172-T175 WeakPolarHBondContact O-CB 3.25Å; S172-T175 PolarHBondContact O-N 2.84Å; S172-T175 PolarHBondContact O-OG1 3.27Å; S172-T175 VanDerWaalsContact O-OG1 3.08Å
173Q92.4Very high95.4Very high126 Ų12662.6 Ų62.659%0.58934%0.342SS*.G310 helixtrans-63.2-19.1-177.6-59.787.1-16.900113.9P171 T175 L207P171-Q173 PolarHBondContact O-N 2.77Å; Q173-T175 PolarHBondContact O-N 2.77Å; Q173-L207 HydrophobicContact CB-CD1 4.36Å
174V93.4Very high95.4Very high0 Ų063.1 Ų63.10%034%0.344CS..G310 helixtrans-76.3-13.2176.2-610000112.8P171 S172 I199 S200 A204 L207 L209 L212P171-V174 HydrophobicContact CG-CG1 4.17Å; P171-V174 WeakPolarHBondContact O-CG2 3.32Å; S172-V174 PolarHBondContact O-N 3.23Å; S172-V174 VanDerWaalsContact O-N 3.16Å; V174-I199 HydrophobicContact CB-CG2 4.33Å; V174-I199 HydrophobicContact CG2-CD1 4Å; V174-I199 HydrophobicContact CG2-CG2 4.25Å; V174-S200 PolarHBondContact O-N 2.83Å; V174-A204 HydrophobicContact CB-CB 4.49Å; V174-A204 HydrophobicContact CG1-CB 3.8Å; V174-L207 HydrophobicContact CG1-CD1 4.21Å; V174-L209 HydrophobicContact CG1-CD1 3.8Å; V174-L212 HydrophobicContact CB-CD2 4.41Å; V174-L212 HydrophobicContact CG1-CD2 4.22Å; V174-L212 HydrophobicContact CG2-CD1 4.1Å; V174-L212 HydrophobicContact CG2-CD2 3.57Å
175T92.7Very high95.4Very high26 Ų2668.5 Ų68.516%0.1636%0.362CS..BIsolated β-bridgetrans-83.4127.9-179.4-380000110S172 Q173 Q177 Y197 N198S172-T175 WeakPolarHBondContact O-CB 3.25Å; S172-T175 PolarHBondContact O-N 2.84Å; S172-T175 PolarHBondContact O-OG1 3.27Å; S172-T175 VanDerWaalsContact O-OG1 3.08Å; Q173-T175 PolarHBondContact O-N 2.77Å; T175-Q177 VanDerWaalsContact C-N 3.34Å; T175-Q177 WeakPolarHBondContact CG2-O 3.42Å; T175-Q177 PolarHBondContact O-N 2.78Å; T175-Y197 HydrophobicContact CG2-CD1 4.1Å; T175-N198 CarbonylContact C-O 3.56Å; T175-N198 WeakPolarHBondContact CA-O 3.39Å; T175-N198 WeakPolarHBondContact CG2-O 3.5Å
176V89.5Confident95.3Very high88 Ų8871.2 Ų71.253%0.53338%0.376SS..SBendtrans-70.5-31.4-177.1-1800000112.3L152 N198L152-V176 HydrophobicContact CD2-CG2 4.16Å; V176-N198 PolarHBondContact N-O 3.47Å
177Q90.7Very high95.1Very high95 Ų9573.4 Ų73.444%0.44439%0.392SS..SBendtrans-148.4173.8-17661.9177.920.400111.3T175 N198T175-Q177 VanDerWaalsContact C-N 3.34Å; T175-Q177 WeakPolarHBondContact CG2-O 3.42Å; T175-Q177 PolarHBondContact O-N 2.78Å; Q177-N198 HydrophobicContact CG-CB 4.49Å; Q177-N198 PolarHBondContact NE2-ND2 3.15Å
178A93.6Very high94.8Very high82 Ų8277.4 Ų77.468%0.67841%0.413SS*.PPolyproline II helixtrans-57.9136.1171.800000110.5
179P94.2Very high94.7Very high45 Ų4577.3 Ų77.329%0.29242%0.416SS..PPolyproline II helixtrans-67.2143.9-178.527.3-34.4000111.5K195 I196 Y197P179-K195 HydrophobicContact CB-CD 4.44Å; P179-K195 HydrophobicContact CB-CG 3.89Å; P179-K195 HydrophobicContact CG-CD 4.43Å; P179-K195 HydrophobicContact CG-CG 4.4Å; P179-I196 VanDerWaalsContact CA-O 3.28Å; P179-I196 WeakPolarHBondContact CA-O 3.4Å; P179-I196 VanDerWaalsContact CB-O 3.31Å; P179-I196 WeakPolarHBondContact CB-O 3.26Å; P179-Y197 HydrophobicContact CB-CD1 3.64Å; P179-Y197 HydrophobicContact CB-CE1 3.65Å; P179-Y197 HydrophobicContact CB-CG 4.27Å; P179-Y197 HydrophobicContact CG-CD1 4.18Å; P179-Y197 HydrophobicContact CG-CE1 3.79Å
180Q95.6Very high94.7Very high63 Ų6377.3 Ų77.329%0.29442%0.417SS..EExtended strand (participates in β ladder)trans-77.4128.4168.6-63.988.6-17.700109.2Y182 K195 I196Q180-Y182 HydrophobicContact CB-CE2 3.84Å; Q180-K195 CarbonylContact O-C 3.6Å; Q180-K195 WeakPolarHBondContact O-CA 3.14Å; Q180-I196 HydrophobicContact CB-CB 4.41Å; Q180-I196 PolarHBondContact N-O 2.91Å; Q180-I196 VanDerWaalsContact N-O 3.15Å; Q180-I196 PolarHBondContact O-N 2.79Å; Q180-I196 PolarHBondContact OE1-O 3.01Å
181E97.4Very high94.8Very high75 Ų7571 Ų7135%0.3540%0.395SS..EExtended strand (participates in β ladder)trans-128.5128.2-174.8-169.1165.4-178.100110.2F183 V193 T194 K195E181-F183 HydrophobicContact CG-CE2 3.72Å; E181-F183 HydrophobicContact CG-CZ 3.89Å; E181-F183 WeakPolarHBondContact OE1-CZ 3.47Å; E181-V193 HydrophobicContact CG-CG1 4.43Å; E181-T194 WeakPolarHBondContact CA-O 3.35Å; E181-K195 HydrophobicContact CB-CG 4.46Å; E181-K195 HydrophobicContact CG-CD 4.31Å; E181-K195 HydrophobicContact CG-CG 4.46Å; E181-K195 IonicContact OE1-NZ 3.05Å; E181-K195 WeakPolarHBondContact OE2-CE 3.46Å; E181-K195 IonicContact OE2-NZ 3.38Å; E181-K195 PolarHBondContact OE2-NZ 2.82Å
182Y97.6Very high94.9Very high127 Ų12771.7 Ų71.750%0.49840%0.399SS..EExtended strand (participates in β ladder)trans-125.1137.2-176.3-55.7-85.9000110.1Q180 T194 I196Q180-Y182 HydrophobicContact CB-CE2 3.84Å; Y182-T194 PolarHBondContact N-O 3.15Å; Y182-T194 PolarHBondContact O-N 2.8Å; Y182-I196 HydrophobicContact CE2-CD1 3.98Å
183F98Very high95.1Very high122 Ų12268.1 Ų68.154%0.53537%0.374SS..EExtended strand (participates in β ladder)trans-117.9120177.1-62.5-93.5000109.1A164 E181 V191 T192 V193A164-F183 HydrophobicContact CB-CD1 4.34Å; A164-F183 HydrophobicContact CB-CE1 4.31Å; E181-F183 HydrophobicContact CG-CE2 3.72Å; E181-F183 HydrophobicContact CG-CZ 3.89Å; E181-F183 WeakPolarHBondContact OE1-CZ 3.47Å; F183-V191 HydrophobicContact CB-CG1 4.21Å; F183-V191 HydrophobicContact CD1-CG1 4.01Å; F183-T192 WeakPolarHBondContact CA-O 3.48Å; F183-V193 HydrophobicContact CD1-CG2 3.68Å; F183-V193 HydrophobicContact CE1-CG1 4.18Å; F183-V193 HydrophobicContact CE1-CG2 3.64Å
184V97.7Very high95.4Very high78 Ų7863.6 Ų63.647%0.47336%0.355SS..EExtended strand (participates in β ladder)trans-114.1119.2176-178.30000108.6V191 T192V184-V191 CarbonylContact O-C 3.57Å; V184-V191 WeakPolarHBondContact O-CA 3.35Å; V184-T192 PolarHBondContact N-O 2.84Å; V184-T192 PolarHBondContact O-N 3.48Å
185Q96.9Very high95.6Very high156 Ų15664.9 Ų64.973%0.72936%0.361SS*.EExtended strand (participates in β ladder)trans-81.2123.1175.1-172.3173.74.600109.7
186N95.9Very high95.8Very high60 Ų6065.5 Ų65.532%0.32136%0.362SS..  trans-104.8-176.2177.6-48.6-61.5000110.8T190 T192N186-T190 WeakPolarHBondContact CB-OG1 3.48Å; N186-T190 PolarHBondContact N-O 2.79Å; N186-T192 PolarHBondContact ND2-N 2.93Å; N186-T192 PolarHBondContact ND2-OG1 3.05Å
187A93.4Very high96.1Very high73 Ų7361.6 Ų61.660%0.60334%0.338SS*.G310 helixtrans-55.3159.3169.900000112.2A189 T190A187-A189 PolarHBondContact O-N 2.86Å; A187-A189 VanDerWaalsContact O-N 3.15Å; A187-T190 PolarHBondContact O-N 3.32Å; A187-T190 PolarHBondContact O-OG1 2.89Å
188N93.5Very high96.2Very high90 Ų9059.1 Ų59.148%0.48133%0.328SS..G310 helixtrans57.525.7178.7-54.1-32.9000114.3F107 K162 T190F107-N188 HydrophobicContact CB-CB 4.16Å; F107-N188 HydrophobicContact CD1-CB 4Å; F107-N188 HydrophobicContact CD2-CB 3.45Å; F107-N188 VanDerWaalsContact CD2-CB 3.45Å; F107-N188 VanDerWaalsContact CD2-CG 3.45Å; F107-N188 VanDerWaalsContact CD2-ND2 3.26Å; F107-N188 WeakPolarHBondContact CD2-ND2 3.39Å; F107-N188 HydrophobicContact CE1-CB 4.22Å; F107-N188 HydrophobicContact CE2-CB 3.68Å; F107-N188 HydrophobicContact CG-CB 3.6Å; F107-N188 HydrophobicContact CZ-CB 4.05Å; K162-N188 WeakPolarHBondContact CD-O 3.32Å; N188-T190 PolarHBondContact O-N 3.02Å; N188-T190 VanDerWaalsContact O-N 3.14Å
189A93.4Very high96.3Very high53 Ų5355.2 Ų55.244%0.43830%0.296SS..G310 helixtrans55.926.2-177.400000114.2K162 A187K162-A189 HydrophobicContact CD-CB 4.45Å; A187-A189 PolarHBondContact O-N 2.86Å; A187-A189 VanDerWaalsContact O-N 3.15Å
190T97.1Very high96.2Very high18 Ų1853.9 Ų53.911%0.1129%0.287CS..  trans-79.8150.116958.40000110F107 T135 K162 N186 A187 N188F107-T190 HydrophobicContact CE1-CG2 4.42Å; F107-T190 HydrophobicContact CZ-CG2 3.86Å; T135-T190 HydrophobicContact CG2-CG2 3.76Å; K162-T190 HydrophobicContact CB-CG2 4.14Å; N186-T190 WeakPolarHBondContact CB-OG1 3.48Å; N186-T190 PolarHBondContact N-O 2.79Å; A187-T190 PolarHBondContact O-N 3.32Å; A187-T190 PolarHBondContact O-OG1 2.89Å; N188-T190 PolarHBondContact O-N 3.02Å; N188-T190 VanDerWaalsContact O-N 3.14Å
191V98.1Very high96Very high30 Ų3051 Ų5118%0.18227%0.274CS..EExtended strand (participates in β ladder)trans-125.1124.7-178.1-177.80000109.1V160 G161 A164 F183 V184 V193V160-V191 WeakPolarHBondContact CA-O 3.29Å; G161-V191 PolarHBondContact N-O 3.46Å; G161-V191 PolarHBondContact O-N 2.86Å; A164-V191 HydrophobicContact CB-CB 3.91Å; A164-V191 HydrophobicContact CB-CG1 3.86Å; A164-V191 HydrophobicContact CB-CG2 4.43Å; F183-V191 HydrophobicContact CB-CG1 4.21Å; F183-V191 HydrophobicContact CD1-CG1 4.01Å; V184-V191 CarbonylContact O-C 3.57Å; V184-V191 WeakPolarHBondContact O-CA 3.35Å; V191-V193 HydrophobicContact CG1-CG2 4.31Å
192T98.1Very high95.7Very high24 Ų2454.5 Ų54.515%0.14729%0.288CS..EExtended strand (participates in β ladder)trans-84.9123167.3-56.20000108.6V160 F183 V184 N186V160-T192 HydrophobicContact CG2-CG2 4.09Å; V160-T192 WeakPolarHBondContact CG2-OG1 3.23Å; F183-T192 WeakPolarHBondContact CA-O 3.48Å; V184-T192 PolarHBondContact N-O 2.84Å; V184-T192 PolarHBondContact O-N 3.48Å; N186-T192 PolarHBondContact ND2-N 2.93Å; N186-T192 PolarHBondContact ND2-OG1 3.05Å
193V98.4Very high95.5Very high0 Ų050.8 Ų50.80%028%0.279CS..EExtended strand (participates in β ladder)trans-104.7123.7172.7179.80000107.6S158 A159 A164 P165 I167 E181 F183 V191S158-V193 VanDerWaalsContact CA-O 3.29Å; S158-V193 WeakPolarHBondContact CA-O 3.3Å; S158-V193 PolarHBondContact OG-O 2.81Å; A159-V193 PolarHBondContact N-O 2.88Å; A159-V193 PolarHBondContact O-N 3.08Å; A164-V193 HydrophobicContact CB-CG2 3.86Å; P165-V193 HydrophobicContact CG-CB 4.25Å; P165-V193 HydrophobicContact CG-CG2 4.08Å; I167-V193 HydrophobicContact CD1-CB 4.38Å; I167-V193 HydrophobicContact CD1-CG1 4.04Å; I167-V193 HydrophobicContact CG1-CG1 4.41Å; E181-V193 HydrophobicContact CG-CG1 4.43Å; F183-V193 HydrophobicContact CD1-CG2 3.68Å; F183-V193 HydrophobicContact CE1-CG1 4.18Å; F183-V193 HydrophobicContact CE1-CG2 3.64Å; V191-V193 HydrophobicContact CG1-CG2 4.31Å
194T98Very high95.2Very high30 Ų3045 Ų4518%0.18425%0.253CS..EExtended strand (participates in β ladder)trans-122.9123.7175.8-62.30000108.9L156 C157 S158 E181 Y182L156-T194 HydrophobicContact CD1-CG2 3.41Å; L156-T194 VanDerWaalsContact CD1-CG2 3.41Å; C157-T194 CarbonylContact O-C 3.57Å; C157-T194 WeakPolarHBondContact O-CA 3.38Å; S158-T194 PolarHBondContact OG-OG1 3.34Å; S158-T194 VanDerWaalsContact OG-OG1 3.08Å; E181-T194 WeakPolarHBondContact CA-O 3.35Å; Y182-T194 PolarHBondContact N-O 3.15Å; Y182-T194 PolarHBondContact O-N 2.8Å
195K97.8Very high94.9Very high27 Ų2745.6 Ų45.612%0.11725%0.247CC..EExtended strand (participates in β ladder)trans-125.2127.3-176.5-161.3157.6-176.1158.70110.5C157 I167 P179 Q180 E181 Y197C157-K195 PolarHBondContact N-O 2.85Å; C157-K195 PolarHBondContact O-N 2.9Å; I167-K195 HydrophobicContact CB-CB 4.48Å; I167-K195 HydrophobicContact CB-CD 4.18Å; I167-K195 HydrophobicContact CG2-CB 4.36Å; I167-K195 HydrophobicContact CG2-CD 4.35Å; I167-K195 PolarHBondContact O-NZ 2.85Å; I167-K195 VanDerWaalsContact O-NZ 3.16Å; P179-K195 HydrophobicContact CB-CD 4.44Å; P179-K195 HydrophobicContact CB-CG 3.89Å; P179-K195 HydrophobicContact CG-CD 4.43Å; P179-K195 HydrophobicContact CG-CG 4.4Å; Q180-K195 CarbonylContact O-C 3.6Å; Q180-K195 WeakPolarHBondContact O-CA 3.14Å; E181-K195 HydrophobicContact CB-CG 4.46Å; E181-K195 HydrophobicContact CG-CD 4.31Å; E181-K195 HydrophobicContact CG-CG 4.46Å; E181-K195 IonicContact OE1-NZ 3.05Å; E181-K195 WeakPolarHBondContact OE2-CE 3.46Å; E181-K195 IonicContact OE2-NZ 3.38Å; E181-K195 PolarHBondContact OE2-NZ 2.82Å; K195-Y197 HydrophobicContact CB-CE2 4.09Å; K195-Y197 HydrophobicContact CD-CE1 4.45Å; K195-Y197 HydrophobicContact CD-CE2 4.04Å; K195-Y197 WeakPolarHBondContact CD-OH 3.25Å; K195-Y197 VanDerWaalsContact CE-OH 3.22Å; K195-Y197 WeakPolarHBondContact CE-OH 3.32Å; K195-Y197 HydrophobicContact CG-CD2 4.38Å; K195-Y197 HydrophobicContact CG-CE1 4.42Å; K195-Y197 HydrophobicContact CG-CE2 3.68Å
196I96.4Very high94.6Very high39 Ų3942.7 Ų42.720%0.224%0.244CC..EExtended strand (participates in β ladder)trans-112.5122.8-176.9-53.8178.6000108.3S154 L155 L156 P179 Q180 Y182S154-I196 VanDerWaalsContact OG-CG2 3.31Å; S154-I196 WeakPolarHBondContact OG-CG2 3.44Å; L155-I196 WeakPolarHBondContact O-CA 3.49Å; L156-I196 HydrophobicContact CD1-CD1 4.2Å; L156-I196 HydrophobicContact CD1-CG1 3.75Å; P179-I196 VanDerWaalsContact CA-O 3.28Å; P179-I196 WeakPolarHBondContact CA-O 3.4Å; P179-I196 VanDerWaalsContact CB-O 3.31Å; P179-I196 WeakPolarHBondContact CB-O 3.26Å; Q180-I196 HydrophobicContact CB-CB 4.41Å; Q180-I196 PolarHBondContact N-O 2.91Å; Q180-I196 VanDerWaalsContact N-O 3.15Å; Q180-I196 PolarHBondContact O-N 2.79Å; Q180-I196 PolarHBondContact OE1-O 3.01Å; Y182-I196 HydrophobicContact CE2-CD1 3.98Å
197Y95.7Very high94.4Very high7 Ų744.1 Ų44.13%0.02725%0.251CS..EExtended strand (participates in β ladder)trans-111128.2177.7-61.8-89.8000110.5S154 L155 I167 S168 I169 T175 P179 K195S154-Y197 WeakPolarHBondContact CA-O 3.11Å; L155-Y197 PolarHBondContact N-O 3.49Å; L155-Y197 PolarHBondContact O-N 2.87Å; I167-Y197 HydrophobicContact CG2-CE2 4.39Å; I167-Y197 PolarHBondContact O-OH 2.84Å; S168-Y197 WeakPolarHBondContact CA-OH 3.41Å; I169-Y197 HydrophobicContact CB-CD1 4.27Å; I169-Y197 HydrophobicContact CB-CE1 3.89Å; I169-Y197 HydrophobicContact CB-CE2 4.3Å; I169-Y197 HydrophobicContact CD1-CD1 4.35Å; I169-Y197 HydrophobicContact CD1-CD2 4.37Å; I169-Y197 HydrophobicContact CD1-CG 4.13Å; I169-Y197 HydrophobicContact CG2-CD1 3.59Å; I169-Y197 HydrophobicContact CG2-CE1 3.29Å; I169-Y197 HydrophobicContact CG2-CG 4.34Å; T175-Y197 HydrophobicContact CG2-CD1 4.1Å; P179-Y197 HydrophobicContact CB-CD1 3.64Å; P179-Y197 HydrophobicContact CB-CE1 3.65Å; P179-Y197 HydrophobicContact CB-CG 4.27Å; P179-Y197 HydrophobicContact CG-CD1 4.18Å; P179-Y197 HydrophobicContact CG-CE1 3.79Å; K195-Y197 HydrophobicContact CB-CE2 4.09Å; K195-Y197 HydrophobicContact CD-CE1 4.45Å; K195-Y197 HydrophobicContact CD-CE2 4.04Å; K195-Y197 WeakPolarHBondContact CD-OH 3.25Å; K195-Y197 VanDerWaalsContact CE-OH 3.22Å; K195-Y197 WeakPolarHBondContact CE-OH 3.32Å; K195-Y197 HydrophobicContact CG-CD2 4.38Å; K195-Y197 HydrophobicContact CG-CE1 4.42Å; K195-Y197 HydrophobicContact CG-CE2 3.68Å
198N94.3Very high94.3Very high42 Ų4243.5 Ų43.523%0.22525%0.252CS..EExtended strand (participates in β ladder)trans-91103.8171.8-71.4-15.2000109.5T175 V176 Q177T175-N198 CarbonylContact C-O 3.56Å; T175-N198 WeakPolarHBondContact CA-O 3.39Å; T175-N198 WeakPolarHBondContact CG2-O 3.5Å; V176-N198 PolarHBondContact N-O 3.47Å; Q177-N198 HydrophobicContact CG-CB 4.49Å; Q177-N198 PolarHBondContact NE2-ND2 3.15Å
199I94.4Very high94.3Very high0 Ų041.5 Ų41.50%024%0.241CC..EExtended strand (participates in β ladder)trans-93.8130.2-173.7-54.4-55.4000110.7L152 H153 L155 I169 V174 L212 L229L152-I199 VanDerWaalsContact CA-O 3.31Å; L152-I199 WeakPolarHBondContact CA-O 3.24Å; H153-I199 PolarHBondContact N-O 3.37Å; H153-I199 PolarHBondContact O-N 3.42Å; L155-I199 HydrophobicContact CB-CG1 4.12Å; I169-I199 HydrophobicContact CD1-CD1 3.73Å; V174-I199 HydrophobicContact CB-CG2 4.33Å; V174-I199 HydrophobicContact CG2-CD1 4Å; V174-I199 HydrophobicContact CG2-CG2 4.25Å; I199-L212 HydrophobicContact CD1-CD1 3.87Å; I199-L212 HydrophobicContact CG1-CD1 3.98Å; I199-L212 HydrophobicContact CG2-CD1 3.93Å; I199-L229 HydrophobicContact CG2-CD2 4.3Å
200S92.9Very high94.2Very high17 Ų1745.7 Ų45.712%0.11925%0.251CS..EExtended strand (participates in β ladder)trans-91.4107.9168.7169.60000110.4V174 K202 T203 A204V174-S200 PolarHBondContact O-N 2.83Å; S200-K202 VanDerWaalsContact C-N 3.26Å; S200-K202 PolarHBondContact O-N 3.16Å; S200-T203 WeakPolarHBondContact CB-OG1 3.38Å; S200-T203 PolarHBondContact O-N 2.85Å; S200-T203 WeakPolarHBondContact OG-CB 3.32Å; S200-T203 PolarHBondContact OG-N 2.83Å; S200-T203 VanDerWaalsContact OG-N 3.09Å; S200-T203 PolarHBondContact OG-OG1 2.82Å; S200-A204 PolarHBondContact O-N 2.87Å
201L91.5Very high94.1Very high2 Ų247.9 Ų47.91%0.0126%0.262CS..Hα-helixtrans-62.9-35.1174.1-67.6-176.5000112D151 H153 T203 A204 R205 L229 P230D151-L201 WeakPolarHBondContact O-CB 3.47Å; D151-L201 PolarHBondContact O-N 3.24Å; H153-L201 WeakPolarHBondContact CE1-CD1 3.42Å; H153-L201 VanDerWaalsContact ND1-CD1 3.33Å; H153-L201 WeakPolarHBondContact ND1-CD1 3.43Å; L201-T203 VanDerWaalsContact C-N 3.31Å; L201-T203 PolarHBondContact O-N 3.45Å; L201-A204 PolarHBondContact O-N 2.91Å; L201-R205 WeakPolarHBondContact O-CB 3.31Å; L201-R205 WeakPolarHBondContact O-CD 3.28Å; L201-R205 WeakPolarHBondContact O-CG 3.36Å; L201-R205 PolarHBondContact O-N 3.47Å; L201-L229 HydrophobicContact CD2-CB 4.21Å; L201-L229 HydrophobicContact CD2-CD2 3.92Å; L201-L229 HydrophobicContact CD2-CG 4.45Å; L201-P230 HydrophobicContact CD1-CG 3.65Å; L201-P230 HydrophobicContact CD2-CG 3.99Å; L201-P230 HydrophobicContact CG-CG 4.48Å
202K91.1Very high94Very high150 Ų15046.5 Ų46.565%0.65225%0.254SS*.Hα-helixtrans-58.4-45.7174.8-176.1178.7179.9178.80111S200 S206S200-K202 VanDerWaalsContact C-N 3.26Å; S200-K202 PolarHBondContact O-N 3.16Å; K202-S206 WeakPolarHBondContact O-CB 3.26Å; K202-S206 PolarHBondContact O-N 3.08Å
203T92.1Very high94Very high48 Ų4847.2 Ų47.229%0.29426%0.258SS..Hα-helixtrans-65.9-46.7177.1-53.70000110.8S200 L201 R205 S206 L207S200-T203 WeakPolarHBondContact CB-OG1 3.38Å; S200-T203 PolarHBondContact O-N 2.85Å; S200-T203 WeakPolarHBondContact OG-CB 3.32Å; S200-T203 PolarHBondContact OG-N 2.83Å; S200-T203 VanDerWaalsContact OG-N 3.09Å; S200-T203 PolarHBondContact OG-OG1 2.82Å; L201-T203 VanDerWaalsContact C-N 3.31Å; L201-T203 PolarHBondContact O-N 3.45Å; T203-R205 VanDerWaalsContact C-N 3.32Å; T203-R205 PolarHBondContact O-N 2.79Å; T203-S206 WeakPolarHBondContact CA-OG 3.36Å; T203-S206 PolarHBondContact O-N 3.19Å; T203-S206 VanDerWaalsContact O-N 3.15Å; T203-S206 PolarHBondContact O-OG 3.18Å; T203-L207 HydrophobicContact CG2-CD1 4.23Å; T203-L207 WeakPolarHBondContact O-CG 3.29Å; T203-L207 PolarHBondContact O-N 2.99Å; T203-L207 VanDerWaalsContact O-N 3.08Å
204A92.9Very high94Very high1 Ų147.2 Ų47.21%0.00826%0.258CS..Hα-helixtrans-57.7-44177.700000112.5V174 S200 L201 L207 G208 L209 L229V174-A204 HydrophobicContact CB-CB 4.49Å; V174-A204 HydrophobicContact CG1-CB 3.8Å; S200-A204 PolarHBondContact O-N 2.87Å; L201-A204 PolarHBondContact O-N 2.91Å; A204-L207 CarbonylContact O-C 3.55Å; A204-L207 PolarHBondContact O-N 3.23Å; A204-G208 PolarHBondContact O-N 3.22Å; A204-L209 HydrophobicContact CB-CB 4.38Å; A204-L209 WeakPolarHBondContact O-CB 3.37Å; A204-L209 PolarHBondContact O-N 2.87Å; A204-L229 HydrophobicContact CB-CD1 3.48Å; A204-L229 VanDerWaalsContact CB-CD1 3.48Å
205R91.2Very high94Very high91 Ų9146.7 Ų46.734%0.34326%0.256SS..Hα-helixtrans-63.4-42.3175.2-71166.5-173161.81.3112.1D151 L201 T203 L207 G208 N232D151-R205 IonicContact OD1-NH1 3.37Å; D151-R205 PolarHBondContact OD1-NH1 3.4Å; L201-R205 WeakPolarHBondContact O-CB 3.31Å; L201-R205 WeakPolarHBondContact O-CD 3.28Å; L201-R205 WeakPolarHBondContact O-CG 3.36Å; L201-R205 PolarHBondContact O-N 3.47Å; T203-R205 VanDerWaalsContact C-N 3.32Å; T203-R205 PolarHBondContact O-N 2.79Å; R205-L207 PolarHBondContact O-N 2.84Å; R205-G208 PolarHBondContact O-N 3.02Å; R205-N232 PolarHBondContact NH1-ND2 2.76Å; R205-N232 PolarHBondContact NH2-ND2 2.87Å; R205-N232 PolarHBondContact NH2-OD1 3.33Å
206S91Very high94Very high94 Ų9445.5 Ų45.566%0.65725%0.251SS*.Hα-helixtrans-62.8-25.5176.671.90000113.2K202 T203K202-S206 WeakPolarHBondContact O-CB 3.26Å; K202-S206 PolarHBondContact O-N 3.08Å; T203-S206 WeakPolarHBondContact CA-OG 3.36Å; T203-S206 PolarHBondContact O-N 3.19Å; T203-S206 VanDerWaalsContact O-N 3.15Å; T203-S206 PolarHBondContact O-OG 3.18Å
207L91.7Very high94.1Very high91 Ų9147.2 Ų47.248%0.47626%0.263SS..THydrogen-bonded Turntrans-89.21.6173.8-64.6173.2000113.2Q173 V174 T203 A204 R205 L209Q173-L207 HydrophobicContact CB-CD1 4.36Å; V174-L207 HydrophobicContact CG1-CD1 4.21Å; T203-L207 HydrophobicContact CG2-CD1 4.23Å; T203-L207 WeakPolarHBondContact O-CG 3.29Å; T203-L207 PolarHBondContact O-N 2.99Å; T203-L207 VanDerWaalsContact O-N 3.08Å; A204-L207 CarbonylContact O-C 3.55Å; A204-L207 PolarHBondContact O-N 3.23Å; R205-L207 PolarHBondContact O-N 2.84Å; L207-L209 VanDerWaalsContact C-N 3.27Å; L207-L209 HydrophobicContact CB-CD1 3.65Å; L207-L209 HydrophobicContact CB-CG 3.79Å; L207-L209 HydrophobicContact CD1-CD1 3.87Å; L207-L209 HydrophobicContact CG-CD1 4.43Å; L207-L209 PolarHBondContact O-N 2.96Å
208G91.5Very high94.2Very high59 Ų5947.4 Ų47.461%0.60826%0.264SS*.THydrogen-bonded Turntrans69.920.1-177.500000114.4A204 R205A204-G208 PolarHBondContact O-N 3.22Å; R205-G208 PolarHBondContact O-N 3.02Å
209L92.4Very high94.3Very high49 Ų4950.1 Ų50.126%0.25728%0.284SS..  trans-88.5131.2-174.3-59.6165.4000111.5P171 V174 A204 L207P171-L209 HydrophobicContact CG-CD1 3.18Å; P171-L209 HydrophobicContact CG-CD2 4.21Å; P171-L209 HydrophobicContact CG-CG 4.32Å; V174-L209 HydrophobicContact CG1-CD1 3.8Å; A204-L209 HydrophobicContact CB-CB 4.38Å; A204-L209 WeakPolarHBondContact O-CB 3.37Å; A204-L209 PolarHBondContact O-N 2.87Å; L207-L209 VanDerWaalsContact C-N 3.27Å; L207-L209 HydrophobicContact CB-CD1 3.65Å; L207-L209 HydrophobicContact CB-CG 3.79Å; L207-L209 HydrophobicContact CD1-CD1 3.87Å; L207-L209 HydrophobicContact CG-CD1 4.43Å; L207-L209 PolarHBondContact O-N 2.96Å
210Q92.6Very high94.4Very high141 Ų14152.4 Ų52.466%0.65930%0.298SS*.SBendtrans-103.5-20.8172.7-66164.242.800111.9L229Q210-L229 WeakPolarHBondContact O-CB 3.42Å; Q210-L229 PolarHBondContact O-N 2.9Å
211N94.8Very high94.6Very high64 Ų6455.9 Ų55.934%0.34231%0.309SS..EExtended strand (participates in β ladder)trans-137.3150.7-174.2-54.1-42.2000110.4I226 V227 H228N211-I226 HydrophobicContact CB-CG2 3.69Å; N211-V227 CarbonylContact C-O 3.59Å; N211-V227 WeakPolarHBondContact CA-O 2.92Å; N211-H228 PolarHBondContact OD1-ND1 2.97Å
212L95.7Very high94.9Very high0 Ų061.5 Ų61.50%034%0.339CS..EExtended strand (participates in β ladder)trans-108.8156.6166-54.9179.4000109.4L155 I169 V174 I199 I226 V227 L229L155-L212 HydrophobicContact CD2-CD1 4.48Å; I169-L212 HydrophobicContact CD1-CD1 3.98Å; V174-L212 HydrophobicContact CB-CD2 4.41Å; V174-L212 HydrophobicContact CG1-CD2 4.22Å; V174-L212 HydrophobicContact CG2-CD1 4.1Å; V174-L212 HydrophobicContact CG2-CD2 3.57Å; I199-L212 HydrophobicContact CD1-CD1 3.87Å; I199-L212 HydrophobicContact CG1-CD1 3.98Å; I199-L212 HydrophobicContact CG2-CD1 3.93Å; L212-I226 CarbonylContact O-C 3.56Å; L212-I226 WeakPolarHBondContact O-CA 3Å; L212-V227 HydrophobicContact CB-CB 4.37Å; L212-V227 PolarHBondContact N-O 2.87Å; L212-V227 PolarHBondContact O-N 2.84Å; L212-L229 HydrophobicContact CD1-CD2 3.75Å; L212-L229 HydrophobicContact CD2-CD1 4.12Å; L212-L229 HydrophobicContact CG-CD1 4.11Å; L212-L229 HydrophobicContact CG-CD2 3.84Å; L212-L229 HydrophobicContact CG-CG 4.07Å
213V97.2Very high95.2Very high39 Ų3956.5 Ų56.524%0.23632%0.318CS..EExtended strand (participates in β ladder)trans-116.5123.8173.6-177.30000108.5I169 Y170 E224I169-V213 CarbonylContact C-O 3.56Å; I169-V213 WeakPolarHBondContact CA-O 3.31Å; Y170-V213 PolarHBondContact N-O 2.97Å; Y170-V213 PolarHBondContact O-N 3.26Å; V213-E224 HydrophobicContact CG1-CB 4.18Å
214V98Very high95.5Very high0 Ų061.5 Ų61.50%034%0.338CS..EExtended strand (participates in β ladder)trans-104.3124.2171.1-173.20000107.9L139 T141 L155 C157 I167 S168 I169 E224 K225 V227L139-V214 HydrophobicContact CD1-CG1 4.41Å; L139-V214 HydrophobicContact CD2-CB 4.05Å; L139-V214 HydrophobicContact CD2-CG1 3.73Å; T141-V214 HydrophobicContact CG2-CB 4.24Å; T141-V214 HydrophobicContact CG2-CG1 4.4Å; T141-V214 HydrophobicContact CG2-CG2 4.18Å; L155-V214 HydrophobicContact CD2-CG2 3.83Å; C157-V214 HydrophobicContact CB-CG1 4.27Å; I167-V214 HydrophobicContact CG2-CG1 3.84Å; S168-V214 CarbonylContact O-C 3.52Å; S168-V214 WeakPolarHBondContact O-CA 3.39Å; I169-V214 HydrophobicContact CG1-CG2 4.4Å; V214-E224 CarbonylContact O-C 3.56Å; V214-E224 WeakPolarHBondContact O-CA 3.46Å; V214-K225 PolarHBondContact N-O 2.86Å; V214-K225 PolarHBondContact O-N 3.24Å; V214-V227 HydrophobicContact CG2-CG2 3.86Å
215S98Very high95.7Very high20 Ų2065 Ų6514%0.1435%0.352CS..EExtended strand (participates in β ladder)trans-114.6126.6-177.4-51.60000110.3S168 E223S168-S215 PolarHBondContact N-O 3.36Å; S168-S215 PolarHBondContact O-N 2.9Å; S168-S215 PolarHBondContact OG-O 2.82Å; S215-E223 CarbonylContact C-O 3.59Å; S215-E223 WeakPolarHBondContact CA-O 3.46Å
216M98Very high96Very high1 Ų165.5 Ų65.51%0.00536%0.361CS..EExtended strand (participates in β ladder)trans-99.7125.5172.2-177.5-178.167.100109.9V136 L139 A159 P165 G166 N222 E223V136-M216 HydrophobicContact CG2-CE 3.66Å; V136-M216 HydrophobicContact CG2-SD 3.69Å; L139-M216 HydrophobicContact CB-CB 4.44Å; L139-M216 HydrophobicContact CB-SD 4.5Å; L139-M216 HydrophobicContact CD1-CB 4.45Å; L139-M216 HydrophobicContact CD2-CB 4.21Å; A159-M216 HydrophobicContact CB-SD 3.49Å; A159-M216 WeakPolarHBondContact CB-SD 3.49Å; P165-M216 HydrophobicContact CB-CG 3.93Å; P165-M216 HydrophobicContact CB-SD 4.06Å; G166-M216 CarbonylContact O-C 3.58Å; G166-M216 VanDerWaalsContact O-CA 3.27Å; G166-M216 WeakPolarHBondContact O-CA 3.2Å; M216-N222 VanDerWaalsContact O-CA 3.29Å; M216-N222 WeakPolarHBondContact O-CA 2.99Å; M216-E223 HydrophobicContact CB-CB 4.34Å; M216-E223 HydrophobicContact CE-CB 3.83Å; M216-E223 PolarHBondContact N-O 3.42Å; M216-E223 PolarHBondContact O-N 2.9Å
217T98.1Very high96.2Very high76 Ų7661.6 Ų61.647%0.46633%0.333SS..EExtended strand (participates in β ladder)trans-110.6121.3176.4590000110.4G166 N222G166-T217 WeakPolarHBondContact CA-OG1 3.48Å; G166-T217 PolarHBondContact N-O 3.38Å; G166-T217 PolarHBondContact O-N 2.77Å; G166-T217 PolarHBondContact O-OG1 2.84Å; T217-N222 WeakPolarHBondContact CA-OD1 3.49Å
218H98.3Very high96.4Very high10 Ų1063.6 Ų63.65%0.04634%0.34CS..  trans-151.1146.7178.4-174.7-93.1000110.7T135 V136 K162 P163 P165 V220 R221 N222T135-H218 PolarHBondContact O-CE1 3.01Å; T135-H218 VanDerWaalsContact O-CE1 3.23Å; T135-H218 PolarHBondContact O-NE2 3.29Å; V136-H218 HydrophobicContact CB-CB 4.42Å; V136-H218 HydrophobicContact CG2-CB 4Å; K162-H218 PolarHBondContact O-NE2 2.85Å; P163-H218 WeakPolarHBondContact CD-NE2 3.32Å; P163-H218 PolarHBondContact O-CD2 3.37Å; P163-H218 VanDerWaalsContact O-CD2 3.22Å; P163-H218 PolarHBondContact O-NE2 2.81Å; P165-H218 HydrophobicContact CB-CB 4.4Å; H218-V220 VanDerWaalsContact CE1-CG2 3.49Å; H218-V220 WeakPolarHBondContact CE1-CG2 3.36Å; H218-V220 WeakPolarHBondContact ND1-CB 3.28Å; H218-V220 PolarHBondContact ND1-N 2.91Å; H218-V220 VanDerWaalsContact ND1-N 3.18Å; H218-V220 PolarHBondContact O-N 2.93Å; H218-R221 WeakPolarHBondContact CB-O 3.39Å; H218-R221 PolarHBondContact N-O 2.7Å; H218-R221 CarbonylContact O-C 3.56Å; H218-R221 PolarHBondContact O-N 2.85Å; H218-N222 PolarHBondContact N-OD1 2.98Å; H218-N222 PolarHBondContact O-OD1 3Å
219P97Very high96.4Very high99 Ų9961.5 Ų61.564%0.64332%0.315SS*.SBendtrans-56.4-22.8-178.3-27.835.5000115.6L134 P163L134-P219 HydrophobicContact CD1-CB 4.2Å; P163-P219 HydrophobicContact CG-CG 4.11Å
220V96.8Very high96.1Very high48 Ų4861.6 Ų61.629%0.29132%0.318SS..SBendtrans-87-43.1179.41770000112.6V36 L134 V136 H218V36-V220 HydrophobicContact CG1-CG1 3.85Å; V36-V220 HydrophobicContact CG2-CB 4.5Å; V36-V220 HydrophobicContact CG2-CG1 3.79Å; V36-V220 HydrophobicContact CG2-CG2 4.05Å; L134-V220 HydrophobicContact CB-CG2 3.45Å; L134-V220 VanDerWaalsContact CB-CG2 3.45Å; L134-V220 HydrophobicContact CD1-CG2 4.1Å; L134-V220 HydrophobicContact CG-CG2 4.44Å; V136-V220 HydrophobicContact CG1-CB 3.99Å; V136-V220 HydrophobicContact CG1-CG1 4.1Å; H218-V220 VanDerWaalsContact CE1-CG2 3.49Å; H218-V220 WeakPolarHBondContact CE1-CG2 3.36Å; H218-V220 WeakPolarHBondContact ND1-CB 3.28Å; H218-V220 PolarHBondContact ND1-N 2.91Å; H218-V220 VanDerWaalsContact ND1-N 3.18Å; H218-V220 PolarHBondContact O-N 2.93Å
221R97.1Very high95.6Very high91 Ų9160.1 Ų60.134%0.34332%0.319SS..  trans-156.9134.2-173.3-175.5172.975.2-108.6-1.8109.4V136 S137 H218 E223V136-R221 HydrophobicContact CG1-CB 4.05Å; S137-R221 PolarHBondContact O-NH2 2.94Å; H218-R221 WeakPolarHBondContact CB-O 3.39Å; H218-R221 PolarHBondContact N-O 2.7Å; H218-R221 CarbonylContact O-C 3.56Å; H218-R221 PolarHBondContact O-N 2.85Å; R221-E223 IonicContact CZ-OE2 2.94Å; R221-E223 IonicContact NE-OE2 2.63Å; R221-E223 PolarHBondContact NE-OE2 2.88Å; R221-E223 IonicContact NH2-OE2 2.76Å; R221-E223 PolarHBondContact NH2-OE2 3.46Å
222N97.4Very high94.4Very high120 Ų12061 Ų6164%0.64232%0.323SS*.  trans-97.3140.8163.3-60.8-34.6000108.5M216 T217 H218M216-N222 VanDerWaalsContact O-CA 3.29Å; M216-N222 WeakPolarHBondContact O-CA 2.99Å; T217-N222 WeakPolarHBondContact CA-OD1 3.49Å; H218-N222 PolarHBondContact N-OD1 2.98Å; H218-N222 PolarHBondContact O-OD1 3Å
223E97.6Very high92.3Very high45 Ų4570 Ų7021%0.2137%0.365CS..EExtended strand (participates in β ladder)trans-140.1136.8-175.5-167174.7137.300109.5L139 S215 M216 R221L139-E223 PolarHBondContact N-OE1 2.86Å; L139-E223 VanDerWaalsContact N-OE1 3.15Å; S215-E223 CarbonylContact C-O 3.59Å; S215-E223 WeakPolarHBondContact CA-O 3.46Å; M216-E223 HydrophobicContact CB-CB 4.34Å; M216-E223 HydrophobicContact CE-CB 3.83Å; M216-E223 PolarHBondContact N-O 3.42Å; M216-E223 PolarHBondContact O-N 2.9Å; R221-E223 IonicContact CZ-OE2 2.94Å; R221-E223 IonicContact NE-OE2 2.63Å; R221-E223 PolarHBondContact NE-OE2 2.88Å; R221-E223 IonicContact NH2-OE2 2.76Å; R221-E223 PolarHBondContact NH2-OE2 3.46Å
224E97.5Very high90.2Very high153 Ų15370.6 Ų70.672%0.71538%0.379SS*.EExtended strand (participates in β ladder)trans-120136.9175.1-61.6-170.6154.300109.1V213 V214V213-E224 HydrophobicContact CG1-CB 4.18Å; V214-E224 CarbonylContact O-C 3.56Å; V214-E224 WeakPolarHBondContact O-CA 3.46Å
225K97.5Very high87.7Confident73 Ų7373.7 Ų73.732%0.31741%0.411SS..EExtended strand (participates in β ladder)trans-131.1128-179-167.2168.4-177.3-171.20110.8L139 T141 V214L139-K225 HydrophobicContact CD2-CB 3.98Å; L139-K225 WeakPolarHBondContact O-CD 3.43Å; L139-K225 PolarHBondContact O-NZ 3.03Å; T141-K225 HydrophobicContact CG2-CD 3.86Å; T141-K225 HydrophobicContact CG2-CG 4.49Å; T141-K225 WeakPolarHBondContact OG1-CD 3.39Å; T141-K225 WeakPolarHBondContact OG1-CE 3.26Å; T141-K225 PolarHBondContact OG1-NZ 3.14Å; V214-K225 PolarHBondContact N-O 2.86Å; V214-K225 PolarHBondContact O-N 3.24Å
226I97.1Very high85.4Confident103 Ų10378.7 Ų78.753%0.52844%0.441SS..EExtended strand (participates in β ladder)trans-84.8125.8178.6-57.6177.7000108.6N211 L212N211-I226 HydrophobicContact CB-CG2 3.69Å; L212-I226 CarbonylContact O-C 3.56Å; L212-I226 WeakPolarHBondContact O-CA 3Å
227V96.7Very high83Confident12 Ų1283.5 Ų83.57%0.07347%0.47CS..EExtended strand (participates in β ladder)trans-109.1114.6175.2179.60000108.2T141 L143 L155 N211 L212 V214T141-V227 HydrophobicContact CG2-CG2 4.31Å; L143-V227 HydrophobicContact CB-CG1 4.28Å; L143-V227 HydrophobicContact CD2-CG1 4.25Å; L155-V227 HydrophobicContact CD1-CG1 4.01Å; L155-V227 HydrophobicContact CD1-CG2 4.13Å; L155-V227 HydrophobicContact CD2-CG2 4.35Å; N211-V227 CarbonylContact C-O 3.59Å; N211-V227 WeakPolarHBondContact CA-O 2.92Å; L212-V227 HydrophobicContact CB-CB 4.37Å; L212-V227 PolarHBondContact N-O 2.87Å; L212-V227 PolarHBondContact O-N 2.84Å; V214-V227 HydrophobicContact CG2-CG2 3.86Å
228H94.4Very high81.2Confident133 Ų13383.6 Ų83.662%0.61647%0.468SS*.EExtended strand (participates in β ladder)trans-74.7127.9178-63.1-66.2000110.6N211N211-H228 PolarHBondContact OD1-ND1 2.97Å
229L92.4Very high79.8Confident15 Ų1588 Ų888%0.07950%0.497CS..PPolyproline II helixtrans-82.3144.4175.6-64.7176.3000110.3L143 I199 L201 A204 Q210 L212 V231L143-L229 HydrophobicContact CD2-CD2 4.41Å; I199-L229 HydrophobicContact CG2-CD2 4.3Å; L201-L229 HydrophobicContact CD2-CB 4.21Å; L201-L229 HydrophobicContact CD2-CD2 3.92Å; L201-L229 HydrophobicContact CD2-CG 4.45Å; A204-L229 HydrophobicContact CB-CD1 3.48Å; A204-L229 VanDerWaalsContact CB-CD1 3.48Å; Q210-L229 WeakPolarHBondContact O-CB 3.42Å; Q210-L229 PolarHBondContact O-N 2.9Å; L212-L229 HydrophobicContact CD1-CD2 3.75Å; L212-L229 HydrophobicContact CD2-CD1 4.12Å; L212-L229 HydrophobicContact CG-CD1 4.11Å; L212-L229 HydrophobicContact CG-CD2 3.84Å; L212-L229 HydrophobicContact CG-CG 4.07Å; L229-V231 PolarHBondContact O-N 2.77Å
230P86.7Confident78.6Confident51 Ų5186.7 Ų86.733%0.33149%0.49SS..PPolyproline II helixtrans-64.2122.2174.527.7-35.7000110.3L201L201-P230 HydrophobicContact CD1-CG 3.65Å; L201-P230 HydrophobicContact CD2-CG 3.99Å; L201-P230 HydrophobicContact CG-CG 4.48Å
231V81.8Confident77.7Confident110 Ų11089.2 Ų89.267%0.66750%0.501SS*.PPolyproline II helixtrans-79.4121.5169.81800000107L229 Q233L229-V231 PolarHBondContact O-N 2.77Å; V231-Q233 VanDerWaalsContact C-N 3.32Å; V231-Q233 PolarHBondContact O-N 2.84Å
232N68.5Low76.9Confident83 Ų8388.8 Ų88.844%0.44451%0.506SS..  trans-65.2104.5161.3-80.310.4000105.5R205 G234R205-N232 PolarHBondContact NH1-ND2 2.76Å; R205-N232 PolarHBondContact NH2-ND2 2.87Å; R205-N232 PolarHBondContact NH2-OD1 3.33Å; N232-G234 PolarHBondContact O-N 2.63Å
233Q52.6Low76.3Confident189 Ų18991.4 Ų91.488%0.88351%0.507SS*.  trans-68.351.6153-66.4-176.245.600108.4V231 G235V231-Q233 VanDerWaalsContact C-N 3.32Å; V231-Q233 PolarHBondContact O-N 2.84Å; Q233-G235 PolarHBondContact O-N 3.36Å
234G51.8Low75.8Confident50 Ų5094.8 Ų94.852%0.51552%0.524SS..  trans-64.399.2147.500000102.2N232 T236N232-G234 PolarHBondContact O-N 2.63Å; G234-T236 PolarHBondContact O-N 3.3Å
235G46.1Very low75.4Confident65 Ų6591.9 Ų91.967%0.6751%0.512SS*.  trans-5098.1168.900000105.3Q233 T237Q233-G235 PolarHBondContact O-N 3.36Å; G235-T237 PolarHBondContact O-N 3.36Å
236T49.4Very low75Confident126 Ų12691.3 Ų91.377%0.77352%0.515SS*.  trans-67.987.9165.140.30000101.8G234 N238G234-T236 PolarHBondContact O-N 3.3Å; T236-N238 PolarHBondContact O-N 3.49Å
237T48.7Very low74.7Confident101 Ų10188.1 Ų88.162%0.6250%0.504SS*.  trans-4788.9139.4440000103.4G235 P239G235-T237 PolarHBondContact O-N 3.36Å; T237-P239 WeakPolarHBondContact O-CD 3.29Å
238N60Low74.6Confident78 Ų7891.9 Ų91.942%0.41752%0.523SS..  trans-52.3115.6-179171.7-5.1000103.6T236 C240 L241 N242T236-N238 PolarHBondContact O-N 3.49Å; N238-C240 CarbonylContact O-C 3.6Å; N238-C240 PolarHBondContact O-N 3.15Å; N238-C240 VanDerWaalsContact O-N 3.07Å; N238-C240 VanDerWaalsContact OD1-CB 3.25Å; N238-C240 WeakPolarHBondContact OD1-CB 3.35Å; N238-C240 PolarHBondContact OD1-N 2.96Å; N238-L241 HydrophobicContact CB-CB 3.72Å; N238-L241 CarbonylContact O-C 3.57Å; N238-L241 WeakPolarHBondContact O-CA 3.45Å; N238-L241 PolarHBondContact O-N 3.26Å; N238-N242 PolarHBondContact O-N 2.91Å
239P68.3Low74.5Confident103 Ų10388.2 Ų88.267%0.66952%0.516SS*.Hα-helixtrans-55-32.3-176.4-25.133.6000109.9T237 W243T237-P239 WeakPolarHBondContact O-CD 3.29Å; P239-W243 WeakPolarHBondContact O-CA 3.16Å; P239-W243 WeakPolarHBondContact O-CB 3.33Å; P239-W243 PolarHBondContact O-N 2.78Å
240C71.8Confident74.6Confident72 Ų7294.4 Ų94.449%0.48654%0.542SS..Hα-helixtrans-66.2-43.4170.5-68.80000112.8N238 W243 M244N238-C240 CarbonylContact O-C 3.6Å; N238-C240 PolarHBondContact O-N 3.15Å; N238-C240 VanDerWaalsContact O-N 3.07Å; N238-C240 VanDerWaalsContact OD1-CB 3.25Å; N238-C240 WeakPolarHBondContact OD1-CB 3.35Å; N238-C240 PolarHBondContact OD1-N 2.96Å; C240-W243 PolarHBondContact O-N 3.02Å; C240-M244 VanDerWaalsContact O-CB 3.23Å; C240-M244 WeakPolarHBondContact O-CB 3.27Å; C240-M244 WeakPolarHBondContact O-CG 3.41Å; C240-M244 PolarHBondContact O-N 3.46Å
241L78.4Confident75Confident100 Ų10096.5 Ų96.552%0.52455%0.55SS..Hα-helixtrans-64.9-42.2177.2-170.572.7000111.1N238 M244 I245N238-L241 HydrophobicContact CB-CB 3.72Å; N238-L241 CarbonylContact O-C 3.57Å; N238-L241 WeakPolarHBondContact O-CA 3.45Å; N238-L241 PolarHBondContact O-N 3.26Å; L241-M244 PolarHBondContact O-N 3.02Å; L241-I245 HydrophobicContact CD2-CD1 4.45Å; L241-I245 HydrophobicContact CG-CD1 3.99Å; L241-I245 WeakPolarHBondContact O-CB 3.16Å; L241-I245 WeakPolarHBondContact O-CD1 3.47Å; L241-I245 WeakPolarHBondContact O-CG1 3.47Å; L241-I245 PolarHBondContact O-N 2.82Å
242N79.2Confident75.7Confident83 Ų8396 Ų9644%0.44454%0.542SS..Hα-helixtrans-70.2-36.2178.2-133.624.8000111.4N238 I245 T246N238-N242 PolarHBondContact O-N 2.91Å; N242-I245 PolarHBondContact O-N 3.39Å; N242-T246 WeakPolarHBondContact O-CB 3.49Å; N242-T246 WeakPolarHBondContact O-CG2 3.2Å; N242-T246 PolarHBondContact O-N 3.24Å; N242-T246 PolarHBondContact O-OG1 3.34Å
243W85.1Confident77Confident174 Ų17497.7 Ų97.766%0.65955%0.55SS**Hα-helixtrans-67-38171.9-173.230.9000111.8P239 C240 T246 A247P239-W243 WeakPolarHBondContact O-CA 3.16Å; P239-W243 WeakPolarHBondContact O-CB 3.33Å; P239-W243 PolarHBondContact O-N 2.78Å; C240-W243 PolarHBondContact O-N 3.02Å; W243-T246 WeakPolarHBondContact CA-OG1 3.14Å; W243-T246 PolarHBondContact O-N 3.15Å; W243-T246 PolarHBondContact O-OG1 2.76Å; W243-A247 WeakPolarHBondContact O-CB 3.23Å; W243-A247 PolarHBondContact O-N 2.85Å
244M87.2Confident79Confident116 Ų11694.7 Ų94.757%0.57154%0.535SS*.Hα-helixtrans-65.6-45.5173.1-77-171.58500111C240 L241 T246 A247 I248C240-M244 VanDerWaalsContact O-CB 3.23Å; C240-M244 WeakPolarHBondContact O-CB 3.27Å; C240-M244 WeakPolarHBondContact O-CG 3.41Å; C240-M244 PolarHBondContact O-N 3.46Å; L241-M244 PolarHBondContact O-N 3.02Å; M244-T246 PolarHBondContact O-N 3.22Å; M244-A247 PolarHBondContact O-N 2.8Å; M244-I248 VanDerWaalsContact O-CB 3.32Å; M244-I248 WeakPolarHBondContact O-CB 3.3Å; M244-I248 WeakPolarHBondContact O-CD1 3.49Å; M244-I248 WeakPolarHBondContact O-CG1 3.47Å; M244-I248 PolarHBondContact O-N 3.13Å
245I88.9Confident81.1Confident92 Ų9298.5 Ų98.547%0.47254%0.537SS..Hα-helixtrans-61.8-45.5176.7-69.3163.6000110.4L241 N242 I248 A249L241-I245 HydrophobicContact CD2-CD1 4.45Å; L241-I245 HydrophobicContact CG-CD1 3.99Å; L241-I245 WeakPolarHBondContact O-CB 3.16Å; L241-I245 WeakPolarHBondContact O-CD1 3.47Å; L241-I245 WeakPolarHBondContact O-CG1 3.47Å; L241-I245 PolarHBondContact O-N 2.82Å; N242-I245 PolarHBondContact O-N 3.39Å; I245-I248 PolarHBondContact O-N 3.31Å; I245-A249 WeakPolarHBondContact O-CB 3.37Å; I245-A249 PolarHBondContact O-N 3.3Å
246T89.2Confident83.4Confident61 Ų6199 Ų9937%0.37453%0.527SS..Hα-helixtrans-66.7-43.1177.548.20000112N242 W243 M244 I248 A249 F250N242-T246 WeakPolarHBondContact O-CB 3.49Å; N242-T246 WeakPolarHBondContact O-CG2 3.2Å; N242-T246 PolarHBondContact O-N 3.24Å; N242-T246 PolarHBondContact O-OG1 3.34Å; W243-T246 WeakPolarHBondContact CA-OG1 3.14Å; W243-T246 PolarHBondContact O-N 3.15Å; W243-T246 PolarHBondContact O-OG1 2.76Å; M244-T246 PolarHBondContact O-N 3.22Å; T246-I248 PolarHBondContact O-N 2.99Å; T246-A249 WeakPolarHBondContact O-CB 3.28Å; T246-A249 PolarHBondContact O-N 3.05Å; T246-F250 WeakPolarHBondContact O-CD2 3.42Å; T246-F250 PolarHBondContact O-N 2.86Å
247A91.8Very high85.6Confident36 Ų3695.8 Ų95.830%0.29851%0.51SS..Hα-helixtrans-60.7-45.3175.300000111.9W243 M244 A249 F250 I251W243-A247 WeakPolarHBondContact O-CB 3.23Å; W243-A247 PolarHBondContact O-N 2.85Å; M244-A247 PolarHBondContact O-N 2.8Å; A247-A249 VanDerWaalsContact C-N 3.32Å; A247-A249 PolarHBondContact O-N 2.81Å; A247-F250 PolarHBondContact O-N 2.66Å; A247-I251 VanDerWaalsContact O-CG1 3.25Å; A247-I251 WeakPolarHBondContact O-CG1 3.45Å; A247-I251 PolarHBondContact O-N 3.06Å
248I93.2Very high87.7Confident92 Ų9293.3 Ų93.347%0.47250%0.496SS..Hα-helixtrans-60.7-43.4175.1-69164.4000110.3M244 I245 T246 F250 I251 I252M244-I248 VanDerWaalsContact O-CB 3.32Å; M244-I248 WeakPolarHBondContact O-CB 3.3Å; M244-I248 WeakPolarHBondContact O-CD1 3.49Å; M244-I248 WeakPolarHBondContact O-CG1 3.47Å; M244-I248 PolarHBondContact O-N 3.13Å; I245-I248 PolarHBondContact O-N 3.31Å; T246-I248 PolarHBondContact O-N 2.99Å; I248-F250 PolarHBondContact O-N 2.89Å; I248-I251 PolarHBondContact O-N 2.82Å; I248-I252 HydrophobicContact CG2-CD1 3.8Å; I248-I252 HydrophobicContact CG2-CG1 4.49Å; I248-I252 VanDerWaalsContact O-CG1 3.28Å; I248-I252 WeakPolarHBondContact O-CG1 3.22Å; I248-I252 PolarHBondContact O-N 2.7Å
249A93.6Very high89.4Confident56 Ų5695 Ų9546%0.46350%0.504SS..Hα-helixtrans-62.2-42.1176.700000112.4I245 T246 A247 I252 L253I245-A249 WeakPolarHBondContact O-CB 3.37Å; I245-A249 PolarHBondContact O-N 3.3Å; T246-A249 WeakPolarHBondContact O-CB 3.28Å; T246-A249 PolarHBondContact O-N 3.05Å; A247-A249 VanDerWaalsContact C-N 3.32Å; A247-A249 PolarHBondContact O-N 2.81Å; A249-I252 PolarHBondContact O-N 2.96Å; A249-L253 WeakPolarHBondContact O-CB 3.48Å; A249-L253 PolarHBondContact O-N 2.72Å
250F94.6Very high90.6Very high145 Ų14594.7 Ų94.764%0.63650%0.496SS*.Hα-helixtrans-65.3-40.9176.1-80.9-66.5000112.6T246 A247 I248 L253 F254T246-F250 WeakPolarHBondContact O-CD2 3.42Å; T246-F250 PolarHBondContact O-N 2.86Å; A247-F250 PolarHBondContact O-N 2.66Å; I248-F250 PolarHBondContact O-N 2.89Å; F250-L253 PolarHBondContact O-N 2.01Å; F250-F254 WeakPolarHBondContact O-CB 3.45Å; F250-F254 PolarHBondContact O-N 2.86Å
251I95.3Very high91.6Very high95 Ų9594.5 Ų94.549%0.48750%0.495SS..Hα-helixtrans-62-47.2176.6-69.8166.5000110.1A247 I248 L253 F254 F255A247-I251 VanDerWaalsContact O-CG1 3.25Å; A247-I251 WeakPolarHBondContact O-CG1 3.45Å; A247-I251 PolarHBondContact O-N 3.06Å; I248-I251 PolarHBondContact O-N 2.82Å; I251-L253 VanDerWaalsContact C-N 3.34Å; I251-L253 PolarHBondContact O-N 2.62Å; I251-F254 PolarHBondContact O-N 2.78Å; I251-F255 HydrophobicContact CG2-CD2 3.73Å; I251-F255 HydrophobicContact CG2-CE2 3.47Å; I251-F255 VanDerWaalsContact CG2-CE2 3.47Å; I251-F255 WeakPolarHBondContact O-CD2 3.46Å; I251-F255 PolarHBondContact O-N 3.04Å
252I95.4Very high92.3Very high100 Ų10092 Ų9251%0.51349%0.489SS..Hα-helixtrans-60.5-45.6177.4-67.4167000110.5I248 A249 F254 F255 V256I248-I252 HydrophobicContact CG2-CD1 3.8Å; I248-I252 HydrophobicContact CG2-CG1 4.49Å; I248-I252 VanDerWaalsContact O-CG1 3.28Å; I248-I252 WeakPolarHBondContact O-CG1 3.22Å; I248-I252 PolarHBondContact O-N 2.7Å; A249-I252 PolarHBondContact O-N 2.96Å; I252-F254 VanDerWaalsContact C-N 3.32Å; I252-F254 PolarHBondContact O-N 2.87Å; I252-F255 PolarHBondContact O-N 3.24Å; I252-V256 HydrophobicContact CG2-CG2 4.45Å; I252-V256 VanDerWaalsContact O-CG2 3.32Å; I252-V256 WeakPolarHBondContact O-CG2 2.84Å; I252-V256 PolarHBondContact O-N 2.84Å
253L95.5Very high93Very high117 Ų11792.4 Ų92.461%0.61349%0.494SS*.Hα-helixtrans-62.6-39.9179.6-162.278.4000112.1A249 F250 I251 V256 S257A249-L253 WeakPolarHBondContact O-CB 3.48Å; A249-L253 PolarHBondContact O-N 2.72Å; F250-L253 PolarHBondContact O-N 2.01Å; I251-L253 VanDerWaalsContact C-N 3.34Å; I251-L253 PolarHBondContact O-N 2.62Å; L253-V256 PolarHBondContact O-N 2.74Å; L253-S257 WeakPolarHBondContact O-CB 3.29Å; L253-S257 PolarHBondContact O-N 3.25Å
254F95.4Very high93.3Very high127 Ų12788.3 Ų88.356%0.55749%0.485SS*.Hα-helixtrans-60.7-50.1175.9178.4-101000111.1F250 I251 I252 V256 S257 C258F250-F254 WeakPolarHBondContact O-CB 3.45Å; F250-F254 PolarHBondContact O-N 2.86Å; I251-F254 PolarHBondContact O-N 2.78Å; I252-F254 VanDerWaalsContact C-N 3.32Å; I252-F254 PolarHBondContact O-N 2.87Å; F254-V256 VanDerWaalsContact C-N 3.35Å; F254-V256 PolarHBondContact O-N 3.32Å; F254-S257 PolarHBondContact O-N 3.1Å; F254-S257 VanDerWaalsContact O-N 3.14Å; F254-S257 PolarHBondContact O-OG 2.85Å; F254-C258 PolarHBondContact O-N 3.39Å; F254-C258 PolarHBondContact O-SG 2.06Å; F254-C258 VanDerWaalsContact O-SG 3.36Å
255F95Very high93.5Very high130 Ų13089.8 Ų89.857%0.5749%0.485SS*.Hα-helixtrans-59.5-43.6176.8-78.4-66.4000112.3I251 I252 S257 C258 I259I251-F255 HydrophobicContact CG2-CD2 3.73Å; I251-F255 HydrophobicContact CG2-CE2 3.47Å; I251-F255 VanDerWaalsContact CG2-CE2 3.47Å; I251-F255 WeakPolarHBondContact O-CD2 3.46Å; I251-F255 PolarHBondContact O-N 3.04Å; I252-F255 PolarHBondContact O-N 3.24Å; F255-S257 VanDerWaalsContact C-N 3.32Å; F255-S257 PolarHBondContact O-N 2.88Å; F255-C258 PolarHBondContact O-N 2.87Å; F255-I259 WeakPolarHBondContact O-CG1 3.36Å; F255-I259 PolarHBondContact O-N 2.75Å
256V95.8Very high93.5Very high74 Ų7490.9 Ų90.945%0.44849%0.491SS..Hα-helixtrans-60.7-41.9176.2173.30000111.1I252 L253 F254 I259 I260I252-V256 HydrophobicContact CG2-CG2 4.45Å; I252-V256 VanDerWaalsContact O-CG2 3.32Å; I252-V256 WeakPolarHBondContact O-CG2 2.84Å; I252-V256 PolarHBondContact O-N 2.84Å; L253-V256 PolarHBondContact O-N 2.74Å; F254-V256 VanDerWaalsContact C-N 3.35Å; F254-V256 PolarHBondContact O-N 3.32Å; V256-I259 PolarHBondContact O-N 3.07Å; V256-I260 HydrophobicContact CG1-CD1 3.89Å; V256-I260 VanDerWaalsContact O-CG1 3.31Å; V256-I260 WeakPolarHBondContact O-CG1 3.35Å; V256-I260 PolarHBondContact O-N 2.7Å
257S94.7Very high93.5Very high60 Ų6094.8 Ų94.842%0.4250%0.5SS..Hα-helixtrans-66.2-37.4177.483.80000113.1L253 F254 F255 I260 S261L253-S257 WeakPolarHBondContact O-CB 3.29Å; L253-S257 PolarHBondContact O-N 3.25Å; F254-S257 PolarHBondContact O-N 3.1Å; F254-S257 VanDerWaalsContact O-N 3.14Å; F254-S257 PolarHBondContact O-OG 2.85Å; F255-S257 VanDerWaalsContact C-N 3.32Å; F255-S257 PolarHBondContact O-N 2.88Å; S257-I260 PolarHBondContact O-N 2.66Å; S257-S261 WeakPolarHBondContact O-CB 3.48Å; S257-S261 PolarHBondContact O-N 2.78Å; S257-S261 PolarHBondContact O-OG 2.73Å
258C93.9Very high93.1Very high48 Ų4899.2 Ų99.232%0.32451%0.512SS..Hα-helixtrans-64.9-41.2174.9-710000111.1F254 F255 S261 A262F254-C258 PolarHBondContact O-N 3.39Å; F254-C258 PolarHBondContact O-SG 2.06Å; F254-C258 VanDerWaalsContact O-SG 3.36Å; F255-C258 PolarHBondContact O-N 2.87Å; C258-S261 WeakPolarHBondContact CA-OG 3.39Å; C258-S261 PolarHBondContact O-OG 3.17Å; C258-A262 WeakPolarHBondContact O-CB 3.45Å; C258-A262 PolarHBondContact O-N 2.72Å
259I94.8Very high92.7Very high114 Ų11498.7 Ų98.759%0.58551%0.508SS*.Hα-helixtrans-65-44.3176.2-64.9-62.7000110.9F255 V256 A262 V263F255-I259 WeakPolarHBondContact O-CG1 3.36Å; F255-I259 PolarHBondContact O-N 2.75Å; V256-I259 PolarHBondContact O-N 3.07Å; I259-A262 PolarHBondContact O-N 2.72Å; I259-V263 VanDerWaalsContact O-CG2 3.31Å; I259-V263 WeakPolarHBondContact O-CG2 3.25Å; I259-V263 PolarHBondContact O-N 2.86Å
260I94.5Very high92.1Very high96 Ų96103 Ų10349%0.49252%0.516SS..Hα-helixtrans-62.8-45.6178.3-67.2166.3000111.1V256 S257 A262 V263 L264V256-I260 HydrophobicContact CG1-CD1 3.89Å; V256-I260 VanDerWaalsContact O-CG1 3.31Å; V256-I260 WeakPolarHBondContact O-CG1 3.35Å; V256-I260 PolarHBondContact O-N 2.7Å; S257-I260 PolarHBondContact O-N 2.66Å; I260-A262 PolarHBondContact O-N 3Å; I260-V263 PolarHBondContact O-N 3.32Å; I260-L264 HydrophobicContact CG2-CD1 4.03Å; I260-L264 HydrophobicContact CG2-CG 4.42Å; I260-L264 WeakPolarHBondContact O-CG 3.35Å; I260-L264 PolarHBondContact O-N 3.21Å
261S92Very high91.4Very high68 Ų68100.7 Ų100.748%0.47651%0.506SS..Hα-helixtrans-65.9-37.4179.457.90000112.5S257 C258 L264 Y265S257-S261 WeakPolarHBondContact O-CB 3.48Å; S257-S261 PolarHBondContact O-N 2.78Å; S257-S261 PolarHBondContact O-OG 2.73Å; C258-S261 WeakPolarHBondContact CA-OG 3.39Å; C258-S261 PolarHBondContact O-OG 3.17Å; S261-L264 PolarHBondContact O-N 3.36Å; S261-Y265 VanDerWaalsContact O-CB 3.29Å; S261-Y265 WeakPolarHBondContact O-CB 3.25Å; S261-Y265 PolarHBondContact O-N 3.15Å
262A93.2Very high90.3Very high48 Ų48105.3 Ų105.340%0.39752%0.517SS..Hα-helixtrans-62.7-43.5172.600000112.2C258 I259 I260 Y265 I266C258-A262 WeakPolarHBondContact O-CB 3.45Å; C258-A262 PolarHBondContact O-N 2.72Å; I259-A262 PolarHBondContact O-N 2.72Å; I260-A262 PolarHBondContact O-N 3Å; A262-Y265 PolarHBondContact O-N 2.67Å; A262-I266 VanDerWaalsContact O-CG1 3.29Å; A262-I266 WeakPolarHBondContact O-CG1 3.31Å; A262-I266 PolarHBondContact O-N 3.09Å
263V93.3Very high88.9Confident91 Ų91105 Ų10555%0.55252%0.524SS*.Hα-helixtrans-64-44.6176.3171.80000111.4I259 I260 Y265 I266 Y267I259-V263 VanDerWaalsContact O-CG2 3.31Å; I259-V263 WeakPolarHBondContact O-CG2 3.25Å; I259-V263 PolarHBondContact O-N 2.86Å; I260-V263 PolarHBondContact O-N 3.32Å; V263-Y265 VanDerWaalsContact C-N 3.34Å; V263-Y265 PolarHBondContact O-N 3.23Å; V263-I266 PolarHBondContact O-N 3.32Å; V263-Y267 WeakPolarHBondContact O-CB 3.31Å; V263-Y267 PolarHBondContact O-N 3.44Å
264L91.5Very high87.6Confident88 Ų88106.9 Ų106.946%0.46153%0.529SS..Hα-helixtrans-62-42.3175.7-72.2173.9000111.4I260 S261 I266 Y267 F268I260-L264 HydrophobicContact CG2-CD1 4.03Å; I260-L264 HydrophobicContact CG2-CG 4.42Å; I260-L264 WeakPolarHBondContact O-CG 3.35Å; I260-L264 PolarHBondContact O-N 3.21Å; S261-L264 PolarHBondContact O-N 3.36Å; L264-I266 PolarHBondContact O-N 3.47Å; L264-Y267 WeakPolarHBondContact O-CB 3.48Å; L264-Y267 PolarHBondContact O-N 3.2Å; L264-F268 WeakPolarHBondContact O-CD2 3.46Å; L264-F268 PolarHBondContact O-N 3.5Å
265Y91.9Very high85.9Confident147 Ų147108 Ų10858%0.57653%0.534SS*.Hα-helixtrans-60.3-45.7176.8179.5-97.3000111.8S261 A262 V263 Y267 F268 Q269S261-Y265 VanDerWaalsContact O-CB 3.29Å; S261-Y265 WeakPolarHBondContact O-CB 3.25Å; S261-Y265 PolarHBondContact O-N 3.15Å; A262-Y265 PolarHBondContact O-N 2.67Å; V263-Y265 VanDerWaalsContact C-N 3.34Å; V263-Y265 PolarHBondContact O-N 3.23Å; Y265-Y267 VanDerWaalsContact C-N 3.34Å; Y265-Y267 PolarHBondContact O-N 3.07Å; Y265-F268 PolarHBondContact O-N 3.32Å; Y265-Q269 HydrophobicContact CD1-CG 4.3Å; Y265-Q269 HydrophobicContact CE1-CG 3.86Å; Y265-Q269 HydrophobicContact CE2-CG 4.43Å; Y265-Q269 WeakPolarHBondContact O-CB 3.36Å; Y265-Q269 WeakPolarHBondContact O-CG 3.38Å; Y265-Q269 PolarHBondContact O-N 3.44Å; Y265-Q269 PolarHBondContact OH-NE2 2.64Å; Y265-Q269 VanDerWaalsContact OH-NE2 3.08Å
266I89.8Confident84.1Confident116 Ų116107.5 Ų107.560%0.59554%0.541SS*.Hα-helixtrans-62-42.3175.3-67.4166.1000110.8A262 V263 L264 Q269 K270A262-I266 VanDerWaalsContact O-CG1 3.29Å; A262-I266 WeakPolarHBondContact O-CG1 3.31Å; A262-I266 PolarHBondContact O-N 3.09Å; V263-I266 PolarHBondContact O-N 3.32Å; L264-I266 PolarHBondContact O-N 3.47Å; I266-Q269 PolarHBondContact O-N 3.5Å; I266-K270 PolarHBondContact O-N 3.49Å
267Y88.8Confident82Confident142 Ų142109.2 Ų109.256%0.55755%0.554SS**Hα-helixtrans-62.9-44.8177.1178.7-102000112.4V263 L264 Y265 K270 K271V263-Y267 WeakPolarHBondContact O-CB 3.31Å; V263-Y267 PolarHBondContact O-N 3.44Å; L264-Y267 WeakPolarHBondContact O-CB 3.48Å; L264-Y267 PolarHBondContact O-N 3.2Å; Y265-Y267 VanDerWaalsContact C-N 3.34Å; Y265-Y267 PolarHBondContact O-N 3.07Å; Y267-K270 PolarHBondContact O-N 3.05Å; Y267-K271 PolarHBondContact O-N 2.86Å
268F83.9Confident79.7Confident130 Ų130116.2 Ų116.257%0.5758%0.577SS**Hα-helixtrans-66-40.1177-84.7-68.6000112.4L264 Y265 K271 R272L264-F268 WeakPolarHBondContact O-CD2 3.46Å; L264-F268 PolarHBondContact O-N 3.5Å; Y265-F268 PolarHBondContact O-N 3.32Å; F268-K271 PolarHBondContact O-N 3.34Å; F268-R272 WeakPolarHBondContact O-CB 3.46Å; F268-R272 PolarHBondContact O-N 3.05Å
269Q82.9Confident77.2Confident81 Ų81120 Ų12038%0.37960%0.601SS.*Hα-helixtrans-59.2-47.1173.4-81.2-81.335.700111.2Y265 I266 K271 R272 S273Y265-Q269 HydrophobicContact CD1-CG 4.3Å; Y265-Q269 HydrophobicContact CE1-CG 3.86Å; Y265-Q269 HydrophobicContact CE2-CG 4.43Å; Y265-Q269 WeakPolarHBondContact O-CB 3.36Å; Y265-Q269 WeakPolarHBondContact O-CG 3.38Å; Y265-Q269 PolarHBondContact O-N 3.44Å; Y265-Q269 PolarHBondContact OH-NE2 2.64Å; Y265-Q269 VanDerWaalsContact OH-NE2 3.08Å; I266-Q269 PolarHBondContact O-N 3.5Å; Q269-K271 VanDerWaalsContact C-N 3.34Å; Q269-K271 PolarHBondContact O-N 3.37Å; Q269-R272 WeakPolarHBondContact O-CB 3.36Å; Q269-R272 PolarHBondContact O-N 3.34Å; Q269-R272 VanDerWaalsContact O-N 3.12Å; Q269-S273 PolarHBondContact O-N 2.68Å; Q269-S273 VanDerWaalsContact O-N 3.15Å
270K82.5Confident74.5Confident147 Ų147120.2 Ų120.264%0.63961%0.612SS**Hα-helixtrans-59.1-44.4176.9-173.7174.5179.8178.80112I266 Y267 R272 S273 E274I266-K270 PolarHBondContact O-N 3.49Å; Y267-K270 PolarHBondContact O-N 3.05Å; K270-R272 VanDerWaalsContact C-N 3.28Å; K270-R272 PolarHBondContact O-N 2.79Å; K270-S273 PolarHBondContact O-N 2.84Å; K270-E274 PolarHBondContact O-N 2.79Å
271K78.6Confident71.9Confident96 Ų96120.8 Ų120.842%0.41762%0.622SS.*Hα-helixtrans-65.2-30.7177.5-170.8173.9-176.9175.40112.9Y267 F268 Q269Y267-K271 PolarHBondContact O-N 2.86Å; F268-K271 PolarHBondContact O-N 3.34Å; Q269-K271 VanDerWaalsContact C-N 3.34Å; Q269-K271 PolarHBondContact O-N 3.37Å
272R72Confident69.2Low191 Ų191123.1 Ų123.172%0.72163%0.634SS**Hα-helixtrans-71.2-38.9177.6-167.1177.2-172.4177.72.4111.7F268 Q269 K270 E274 K275F268-R272 WeakPolarHBondContact O-CB 3.46Å; F268-R272 PolarHBondContact O-N 3.05Å; Q269-R272 WeakPolarHBondContact O-CB 3.36Å; Q269-R272 PolarHBondContact O-N 3.34Å; Q269-R272 VanDerWaalsContact O-N 3.12Å; K270-R272 VanDerWaalsContact C-N 3.28Å; K270-R272 PolarHBondContact O-N 2.79Å; R272-E274 VanDerWaalsContact C-N 3.31Å; R272-E274 PolarHBondContact O-N 2.85Å; R272-K275 PolarHBondContact O-N 2.81Å
273S67.8Low66.4Low93 Ų93129.6 Ų129.665%0.6566%0.656SS**Hα-helixtrans-65.8-29.2177.2-65.70000113.6Q269 K270 K275Q269-S273 PolarHBondContact O-N 2.68Å; Q269-S273 VanDerWaalsContact O-N 3.15Å; K270-S273 PolarHBondContact O-N 2.84Å; S273-K275 VanDerWaalsContact C-N 3.33Å
274E68Low63.7Low157 Ų157132 Ų13273%0.73467%0.666SS**Hα-helixtrans-74.4-21.2175-80.9178.7171.500113.8K270 R272K270-E274 PolarHBondContact O-N 2.79Å; R272-E274 VanDerWaalsContact C-N 3.31Å; R272-E274 PolarHBondContact O-N 2.85Å
275K58.4Low61.3Low152 Ų152132.4 Ų132.466%0.66167%0.674SS**THydrogen-bonded Turntrans-95.46.2-173.3-77.8-165.9176.4-1650115.1R272 S273 P277R272-K275 PolarHBondContact O-N 2.81Å; S273-K275 VanDerWaalsContact C-N 3.33Å; K275-P277 WeakPolarHBondContact O-CD 3.12Å
276V57.2Low58.7Low118 Ų118137 Ų13772%0.71569%0.692SS**  trans-75.7107.6176.2-177.40000109.4
277P52.8Low55.8Low111 Ų111141 Ų14172%0.72171%0.705SS**PPolyproline II helixtrans-78.9143.1177.6-6.928.8000109.6K275K275-P277 WeakPolarHBondContact O-CD 3.12Å
278K45.9Very low53.4Low207 Ų207141 Ų14190%0.972%0.72SS**PPolyproline II helixtrans-58136.7-177.9-131171.4-171.7172.30111.2
279P42.6Very low51.1Low127 Ų127139.7 Ų139.783%0.82573%0.727SS**PPolyproline II helixtrans-80.2140.5-1733.513.3000111.9
280S38.1Very low48.8Very low118 Ų118141.8 Ų141.883%0.82575%0.746SS**PPolyproline II helixtrans-101.8153.8166.2-1370000110.2
281P39.9Very low46.7Very low108 Ų108142.9 Ų142.970%0.70176%0.758SS**PPolyproline II helixtrans-93.2142.6-149.534.3-33.8000116.3
282T33.9Very low45Very low118 Ų118146.3 Ų146.372%0.72478%0.777SS**  55.1110.1129.5-43.50000121.1
283Q34.1Very low43.8Very low183 Ų183142.4 Ų142.486%0.85578%0.776SS**  -174.6109.4116-99.4177.3-16.400107.5
284D36.7Very low42.7Very low142 Ų142143.4 Ų143.476%0.75978%0.781SS**  70.215178.6-94.2-12.7000115.1
285P42.1Very low42Very low96 Ų96141.6 Ų141.662%0.62378%0.782SS**  -135.7148.1-69.830.7-10.5000112.4
286Y36.2Very low41.8Very low245 Ų245139.9 Ų139.996%0.96179%0.787SS**  trans-137.3125.2148.7-99-80.9000111.4
287K29.2Very low41.2Very low198 Ų198138.1 Ų138.186%0.86178%0.78SS**  trans-101.5118.8-171-175.3-173.7-168.2-178.80106.6
288T39.2Very low41.3Very low142 Ų142137.7 Ų137.787%0.87178%0.775SS**  trans-132.5129.2159.7-56.70000109.9
289S35.2Very low41.8Very low104 Ų104135.2 Ų135.273%0.72777%0.767SS**  trans-51.3130.7-167.1-1590000116.4
290T33.8Very low42.4Very low125 Ų125132.2 Ų132.277%0.76775%0.749SS**  trans0.9118.7132.1-44.50000116.6
291L39.8Very low43.3Very low170 Ų170133.2 Ų133.289%0.8974%0.741SS**  trans-110.8123.2152.8-160.884.4000107.8
292M42.1Very low44.2Very low167 Ų167133.3 Ų133.382%0.82374%0.735SS**PPolyproline II helixtrans-78.1137.7177.9-171.8170.1174.400110
293P46.5Very low45.6Very low109 Ų109133.6 Ų133.671%0.70873%0.732SS**PPolyproline II helixtrans-78.5148.4177.412.2-0.4000112.2
294P45.9Very low46.9Very low115 Ų115130.4 Ų130.475%0.74772%0.72SS**PPolyproline II helixtrans-77.9159.3-179.532.5-33.5000112.5
295P51.9Low48.3Very low118 Ų118128 Ų12877%0.76671%0.71SS**PPolyproline II helixtrans-70.5156.7179.228.8-33.5000112.9
296P55Low49.2Very low117 Ų117129.3 Ų129.376%0.7671%0.707SS**PPolyproline II helixtrans-68.2136.8-170.626.5-33.3000112.6
297S44.4Very low50.7Low81 Ų81120.7 Ų120.757%0.56668%0.681SS**PPolyproline II helixtrans-74.5141.8175.352.50000111.5E299 S300S297-E299 PolarHBondContact O-N 2.78Å; S297-S300 PolarHBondContact O-N 2.77Å; S297-S300 PolarHBondContact O-OG 3.18Å
298T55.3Low52.6Low101 Ų101115 Ų11562%0.6266%0.663SS**THydrogen-bonded Turntrans-58.2-3.4180-35.60000114.2
299E55.7Low54Low155 Ų155116.7 Ų116.772%0.72465%0.653SS**Hα-helixtrans-74.3-26.1178.5-157.5160.4-163.900112.5S297 L303S297-E299 PolarHBondContact O-N 2.78Å; E299-L303 PolarHBondContact O-N 2.77Å
300S55.9Low55.4Low65 Ų65117 Ų11746%0.45564%0.643SS.*Hα-helixtrans-73.7-33.8177.860.30000113.9S297 I304S297-S300 PolarHBondContact O-N 2.77Å; S297-S300 PolarHBondContact O-OG 3.18Å; S300-I304 WeakPolarHBondContact O-CG1 3.46Å; S300-I304 PolarHBondContact O-N 3.36Å
301E56.1Low57.1Low138 Ų138116 Ų11665%0.64563%0.632SS**Hα-helixtrans-71.9-37.4177.8-84.9-176.414300112.4L303 I304 T305E301-L303 VanDerWaalsContact C-N 3.33Å; E301-L303 PolarHBondContact O-N 3.03Å; E301-I304 PolarHBondContact O-N 3Å; E301-T305 PolarHBondContact O-N 3.35Å; E301-T305 PolarHBondContact O-OG1 2.91Å
302N59.2Low58.3Low111 Ų111113.4 Ų113.459%0.59462%0.618SS**Hα-helixtrans-66.7-33.9177.5-75-21.2000112.1T305 H306N302-T305 PolarHBondContact O-OG1 3.38Å; N302-H306 WeakPolarHBondContact O-CB 3.37Å; N302-H306 PolarHBondContact O-N 3.4Å; N302-H306 VanDerWaalsContact O-N 3.07Å
303L63.2Low59.2Low123 Ų123110.8 Ų110.864%0.64460%0.604SS**Hα-helixtrans-69.9-37.8178.7-168.566.9000112.6E299 E301 T307E299-L303 PolarHBondContact O-N 2.77Å; E301-L303 VanDerWaalsContact C-N 3.33Å; E301-L303 PolarHBondContact O-N 3.03Å; L303-T307 PolarHBondContact O-N 3.09Å; L303-T307 VanDerWaalsContact O-N 3.11Å; L303-T307 PolarHBondContact O-OG1 3.01Å
304I62.9Low60.2Low117 Ų117109.7 Ų109.760%0.660%0.595SS**Hα-helixtrans-69.5-41179.4-64.5169.8000110.6S300 E301 T308S300-I304 WeakPolarHBondContact O-CG1 3.46Å; S300-I304 PolarHBondContact O-N 3.36Å; E301-I304 PolarHBondContact O-N 3Å; I304-T308 PolarHBondContact O-N 2.83Å; I304-T308 PolarHBondContact O-OG1 2.88Å
305T64.2Low60.7Low92 Ų92112.3 Ų112.356%0.56459%0.591SS**Hα-helixtrans-68.5-37.4176.724.40000112.4E301 N302 T308 R309E301-T305 PolarHBondContact O-N 3.35Å; E301-T305 PolarHBondContact O-OG1 2.91Å; N302-T305 PolarHBondContact O-OG1 3.38Å; T305-T308 PolarHBondContact O-N 2.83Å; T305-R309 PolarHBondContact O-N 2.86Å
306H61.8Low61.2Low122 Ų122113.3 Ų113.357%0.56559%0.588SS**Hα-helixtrans-67.7-37.2178.1-153.2-72000112.7N302 Q310N302-H306 WeakPolarHBondContact O-CB 3.37Å; N302-H306 PolarHBondContact O-N 3.4Å; N302-H306 VanDerWaalsContact O-N 3.07Å; H306-Q310 PolarHBondContact O-N 2.95Å
307T68.5Low61.4Low65 Ų65116.3 Ų116.340%0.39959%0.589SS.*Hα-helixtrans-70.5-39178.9-50.70000111.3L303 R309 Q310 I311L303-T307 PolarHBondContact O-N 3.09Å; L303-T307 VanDerWaalsContact O-N 3.11Å; L303-T307 PolarHBondContact O-OG1 3.01Å; T307-R309 PolarHBondContact O-N 3.05Å; T307-Q310 PolarHBondContact O-N 2.81Å; T307-I311 HydrophobicContact CG2-CD1 4.22Å; T307-I311 WeakPolarHBondContact O-CG1 3.36Å; T307-I311 PolarHBondContact O-N 3.11Å
308T67.3Low61.9Low79 Ų79118.4 Ų118.449%0.48559%0.593SS.*Hα-helixtrans-67-37.2178.6-45.50000111.8I304 T305 I311 L312I304-T308 PolarHBondContact O-N 2.83Å; I304-T308 PolarHBondContact O-OG1 2.88Å; T305-T308 PolarHBondContact O-N 2.83Å; T308-I311 PolarHBondContact O-N 3.08Å; T308-L312 PolarHBondContact O-N 2.84Å
309R69.7Low61.5Low176 Ų176118.9 Ų118.966%0.66460%0.599SS**Hα-helixtrans-67.7-40.4176.3-166.5176.6-179162.25.1112.5T305 T307 I311 L312 E313T305-R309 PolarHBondContact O-N 2.86Å; T307-R309 PolarHBondContact O-N 3.05Å; R309-I311 PolarHBondContact O-N 3.17Å; R309-L312 PolarHBondContact O-N 3.42Å; R309-E313 IonicContact NE-OE1 3.47Å; R309-E313 PolarHBondContact NE-OE1 3.29Å; R309-E313 PolarHBondContact O-N 2.84Å; R309-E313 VanDerWaalsContact O-N 3.07Å
310Q65.3Low61.1Low112 Ų112122.6 Ų122.652%0.52362%0.616SS.*Hα-helixtrans-64.3-37176.7-81.3-174.1-31.100112.9H306 T307 V314H306-Q310 PolarHBondContact O-N 2.95Å; T307-Q310 PolarHBondContact O-N 2.81Å; Q310-V314 WeakPolarHBondContact O-CG2 3.37Å; Q310-V314 PolarHBondContact O-N 3.16Å
311I67.8Low61.3Low104 Ų104125.5 Ų125.553%0.53362%0.624SS.*Hα-helixtrans-67.4-37.6178-66.1167.8000111.2T307 T308 R309 Y315T307-I311 HydrophobicContact CG2-CD1 4.22Å; T307-I311 WeakPolarHBondContact O-CG1 3.36Å; T307-I311 PolarHBondContact O-N 3.11Å; T308-I311 PolarHBondContact O-N 3.08Å; R309-I311 PolarHBondContact O-N 3.17Å; I311-Y315 PolarHBondContact O-N 2.93Å
312L65.4Low61.6Low114 Ų114124.8 Ų124.860%0.59762%0.623SS**Hα-helixtrans-72.5-36.9179-118.1126.6000112.9T308 R309 Y315 M316T308-L312 PolarHBondContact O-N 2.84Å; R309-L312 PolarHBondContact O-N 3.42Å; L312-Y315 PolarHBondContact O-N 2.65Å; L312-M316 PolarHBondContact O-N 2.93Å
313E62.3Low61.7Low112 Ų112125.6 Ų125.652%0.52363%0.625SS.*Hα-helixtrans-66.7-37.3175.9-77.3177.3-173.300112.1R309 M316 F317R309-E313 IonicContact NE-OE1 3.47Å; R309-E313 PolarHBondContact NE-OE1 3.29Å; R309-E313 PolarHBondContact O-N 2.84Å; R309-E313 VanDerWaalsContact O-N 3.07Å; E313-M316 PolarHBondContact O-N 2.82Å; E313-F317 PolarHBondContact O-N 2.83Å; E313-F317 VanDerWaalsContact O-N 3.16Å
314V66.7Low61.7Low87 Ų87125.7 Ų125.753%0.52762%0.624SS.*Hα-helixtrans-66.4-38.5173.7174.40000111.6Q310 L318Q310-V314 WeakPolarHBondContact O-CG2 3.37Å; Q310-V314 PolarHBondContact O-N 3.16Å; V314-L318 HydrophobicContact CG1-CD1 4.07Å; V314-L318 WeakPolarHBondContact O-CD1 3.44Å; V314-L318 PolarHBondContact O-N 2.88Å
315Y56.9Low61.6Low170 Ų170126.3 Ų126.367%0.66763%0.625SS**Hα-helixtrans-68.3-38.3177.7-110.4-89.2000113.1I311 L312 L318I311-Y315 PolarHBondContact O-N 2.93Å; L312-Y315 PolarHBondContact O-N 2.65Å; Y315-L318 PolarHBondContact O-N 2.99Å
316M61.6Low61.4Low139 Ų139128.5 Ų128.569%0.68563%0.629SS**Hα-helixtrans-68.9-34.9177.2-79.1-78.7-67.800112.6L312 E313 L318 C319L312-M316 PolarHBondContact O-N 2.93Å; E313-M316 PolarHBondContact O-N 2.82Å; M316-L318 VanDerWaalsContact C-N 3.28Å; M316-L318 PolarHBondContact O-N 2.98Å; M316-C319 PolarHBondContact O-N 3.2Å
317F59.5Low61.4Low180 Ų180129 Ų12979%0.78963%0.634SS**Hα-helixtrans-71.6-21.4178.4-128-86.5000113.6E313E313-F317 PolarHBondContact O-N 2.83Å; E313-F317 VanDerWaalsContact O-N 3.16Å
318L53.8Low60.8Low124 Ų124133.9 Ų133.965%0.64965%0.652SS**Hα-helixtrans-91.8-10.8179.9-75.1164.9000113.7V314 Y315 M316V314-L318 HydrophobicContact CG1-CD1 4.07Å; V314-L318 WeakPolarHBondContact O-CD1 3.44Å; V314-L318 PolarHBondContact O-N 2.88Å; Y315-L318 PolarHBondContact O-N 2.99Å; M316-L318 VanDerWaalsContact C-N 3.28Å; M316-L318 PolarHBondContact O-N 2.98Å
319C48.6Very low60.3Low111 Ų111138.5 Ų138.575%0.7567%0.666SS**  trans-102.99.6179.1-77.50000114.1M316M316-C319 PolarHBondContact O-N 3.2Å
320H45.9Very low59.4Low233 Ų233135.1 Ų135.1100%1.07967%0.666SS**  trans-1150176.1-137.2-34.1000111.9

Retrieved 320 of 320 residues in 247.5 ms (Link to these results)