A0A087WZE3_HUMAN Loading...

Killer cell immunoglobulin like receptor, three Ig domains X1 (pseudogene)

AlphaFold DB , UniProt , Accession A0A087WZE3, Species HUMAN (Homo sapiens, Human), Gene KIR3DX1, Length 365 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M35.2Very low43.3Very low248 Ų248145.9 Ų145.9100%1.22281%0.813SS**  0135.60-68.2173.4-161.700107.3
2A37.3Very low43.7Very low93 Ų93139.9 Ų139.977%0.76981%0.808SS**  trans-66.2-166.5-174.100000111.6
3P51.1Low43.4Very low97 Ų97144.5 Ų144.563%0.6381%0.813SS**  cis-144.5-179.6-26.724.3-0.4000114.3
4K41.6Very low43.5Very low185 Ų185143.1 Ų143.180%0.80482%0.816SS**  trans67.1153138.9-78.8165.2-175.2-174.90118.6
5L41.5Very low43.7Very low128 Ų128143.7 Ų143.767%0.6781%0.814SS**  cis-170.1133.517.5-118.7149.3000108.2
6I45.2Very low43.6Very low134 Ų134144.1 Ų144.169%0.68781%0.814SS**  trans44.8126136.4-63.2176.2000120.8
7T38.8Very low43.1Very low130 Ų130146.4 Ų146.480%0.79882%0.816SS**  -168.4114.4113.320.90000113.9
8V50.1Low43Very low117 Ų117149.1 Ų149.171%0.70982%0.818SS**  trans57.5104132.8-171.50000119.5
9L40.6Very low42.7Very low179 Ų179149 Ų14994%0.93782%0.815SS**  trans-148.364.9143.1-107.1140.7000108.9
10C47.4Very low42Very low114 Ų114147.1 Ų147.177%0.7781%0.811SS**  trans-88.1110.5156.3-77.90000106.7
11L47.1Very low41.6Very low180 Ų180145.3 Ų145.394%0.94281%0.807SS**SBendtrans160.8102.3149.4-87.1159.5000107.3
12G48.4Very low41.5Very low74 Ų74142.5 Ų142.576%0.76379%0.79SS**SBendtrans138.832.6164.800000118.5
13F39.9Very low41.3Very low199 Ų199142.9 Ų142.987%0.87379%0.793SS**  trans-140.158.3163.5-130.2-90.1000112.1
14C45.2Very low40.5Very low126 Ų126141.1 Ų141.185%0.85179%0.793SS**  trans-103.282.8163.2-66.80000108.2
15L46.7Very low40.4Very low151 Ų151137.3 Ų137.379%0.79180%0.796SS**SBendtrans-162.5125.3160.3-98162.3000108.4
16N41.3Very low40.8Very low150 Ų150138.3 Ų138.380%0.80280%0.797SS**  trans79.557.6172.5-70.6-15.8000119.8
17Q35.1Very low41.2Very low184 Ų184136.8 Ų136.886%0.8679%0.791SS**  trans-114.8101.5136.3-71.7-170.322.600109.1I19Q17-I19 PolarHBondContact O-N 3.13Å
18K41.7Very low42.3Very low195 Ų195139.8 Ų139.885%0.84879%0.793SS**  trans-56.395.9158.6-86176.3173.5174.20106.9C20K18-C20 VanDerWaalsContact C-N 3.34Å; K18-C20 PolarHBondContact O-N 3.31Å
19I36.3Very low43.8Very low147 Ų147134.8 Ų134.875%0.75476%0.761SS**  trans-64.4104.2157.2-62.3165.1000104.1Q17 P21Q17-I19 PolarHBondContact O-N 3.13Å; I19-P21 WeakPolarHBondContact O-CD 3.44Å
20C29.8Very low46.2Very low110 Ų110128.5 Ų128.574%0.74373%0.732SS**  trans-63.1109.9159.3-73.30000105.6K18 H22K18-C20 VanDerWaalsContact C-N 3.34Å; K18-C20 PolarHBondContact O-N 3.31Å; C20-H22 PolarHBondContact O-N 3.43Å; C20-H22 VanDerWaalsContact O-N 3.09Å
21P33.7Very low48.4Very low111 Ų111123.3 Ų123.372%0.72170%0.697SS**  trans-61.6122.4163.928.2-29.5000105.3I19 A23I19-P21 WeakPolarHBondContact O-CD 3.44Å; P21-A23 PolarHBondContact O-N 3.25Å; P21-A23 VanDerWaalsContact O-N 3.11Å
22H33.3Very low50.6Low189 Ų189116.7 Ų116.788%0.87567%0.666SS**  trans-38.5120.6172.5-135.757.6000109C20 G24C20-H22 PolarHBondContact O-N 3.43Å; C20-H22 VanDerWaalsContact O-N 3.09Å; H22-G24 PolarHBondContact O-N 3.1Å
23A31.9Very low52.8Low100 Ų100114.1 Ų114.183%0.82664%0.637SS**SBendtrans-49.7128.2-177.500000109.6P21P21-A23 PolarHBondContact O-N 3.25Å; P21-A23 VanDerWaalsContact O-N 3.11Å
24G34.3Very low55.4Low61 Ų61112.9 Ų112.963%0.62963%0.627SS**  trans-49.8135-157.800000115.4H22 Q26H22-G24 PolarHBondContact O-N 3.1Å; G24-Q26 PolarHBondContact O-N 3.3Å
25A39.8Very low57.7Low105 Ų105111.2 Ų111.287%0.86861%0.614SS**  trans-55.886.9136.100000106.8D27A25-D27 PolarHBondContact O-N 2.96Å
26Q50.7Low59.8Low148 Ų148105.3 Ų105.369%0.69259%0.586SS**  trans-58.7125.5172.6-86.8-161.6-9.300107.5G24 K28G24-Q26 PolarHBondContact O-N 3.3Å; Q26-K28 PolarHBondContact O-N 2.73Å
27D54.2Low62.2Low103 Ų103100 Ų10055%0.55156%0.559SS**  trans-49.3101.8174.5-74.7-54.2000110.4A25 F29 L53A25-D27 PolarHBondContact O-N 2.96Å; D27-F29 PolarHBondContact O-N 3.16Å; D27-F29 VanDerWaalsContact O-N 3.13Å; D27-L53 HydrophobicContact CB-CD1 3.42Å; D27-L53 VanDerWaalsContact CB-CD1 3.42Å; D27-L53 HydrophobicContact CB-CG 4.12Å
28K60.7Low64.9Low193 Ų19392.8 Ų92.884%0.83953%0.528SS*.  trans-74103.7-175.5-176.9-178.4179.8-178.70108.5Q26Q26-K28 PolarHBondContact O-N 2.73Å
29F82.5Confident67.4Low12 Ų1283.8 Ų83.85%0.05349%0.489CS..  trans-103.8154.3170.675.7-85.9000109.6D27 H50 W58 C94 S105 A106 E107 S108D27-F29 PolarHBondContact O-N 3.16Å; D27-F29 VanDerWaalsContact O-N 3.13Å; F29-H50 CarbonylContact C-O 3.58Å; F29-H50 WeakPolarHBondContact CA-O 3.27Å; F29-H50 VanDerWaalsContact CB-O 3.24Å; F29-H50 WeakPolarHBondContact CB-O 3.34Å; F29-W58 HydrophobicContact CD2-CZ3 4.46Å; F29-C94 VanDerWaalsContact CE2-O 3.29Å; F29-C94 WeakPolarHBondContact CE2-O 3.23Å; F29-C94 WeakPolarHBondContact CZ-O 3.18Å; F29-S105 WeakPolarHBondContact CZ-OG 3.22Å; F29-A106 WeakPolarHBondContact CE1-O 3.45Å; F29-A106 WeakPolarHBondContact CZ-O 3.33Å; F29-E107 VanDerWaalsContact CZ-C 3.49Å; F29-S108 VanDerWaalsContact CZ-N 3.27Å
30S90.3Very high70.2Confident47 Ų4780.4 Ų80.433%0.32948%0.477SS..EExtended strand (participates in β ladder)trans-130.7154.8-166.963.30000113.5C49 H50 N109S30-C49 CarbonylContact O-C 3.58Å; S30-C49 WeakPolarHBondContact O-CA 3.48Å; S30-H50 PolarHBondContact N-O 3.11Å; S30-H50 PolarHBondContact O-N 2.71Å; S30-N109 WeakPolarHBondContact CA-OD1 3.2Å; S30-N109 VanDerWaalsContact CB-OD1 3.32Å; S30-N109 WeakPolarHBondContact CB-OD1 2.96Å
31L93.4Very high73.4Confident5 Ų579.3 Ų79.33%0.02646%0.463CS..EExtended strand (participates in β ladder)trans-115.9130.1173.9176.262.9000108.9L47 I60 N109 L111L31-L47 HydrophobicContact CD1-CB 4.23Å; L31-I60 HydrophobicContact CD1-CD1 4.48Å; L31-N109 PolarHBondContact N-OD1 2.93Å; L31-N109 PolarHBondContact O-ND2 2.75Å; L31-L111 HydrophobicContact CD2-CB 3.89Å; L31-L111 HydrophobicContact CD2-CD2 4.25Å; L31-L111 HydrophobicContact CG-CB 4.03Å; L31-L111 HydrophobicContact CG-CD2 3.8Å
32S94.2Very high76.4Confident41 Ų4176.3 Ų76.329%0.28745%0.452SS..EExtended strand (participates in β ladder)trans-129.4156179.368.10000112.1L47 S48 H50 L111S32-L47 WeakPolarHBondContact O-CA 3.41Å; S32-S48 PolarHBondContact N-O 3.22Å; S32-S48 PolarHBondContact O-N 3.45Å; S32-S48 PolarHBondContact OG-O 2.83Å; S32-H50 PolarHBondContact OG-CD2 2.89Å; S32-H50 PolarHBondContact OG-NE2 2.79Å; S32-L111 VanDerWaalsContact C-CD2 3.46Å
33A94.5Very high79.4Confident19 Ų1968.2 Ų68.216%0.15742%0.419CS..EExtended strand (participates in β ladder)trans-111.4140.817000000111P37 V45 T46 L47 L111 I113A33-P37 HydrophobicContact CB-CB 4.12Å; A33-V45 HydrophobicContact CB-CG2 3.75Å; A33-T46 CarbonylContact C-O 3.6Å; A33-T46 WeakPolarHBondContact CA-O 3.4Å; A33-L47 HydrophobicContact CB-CD2 3.92Å; A33-L111 HydrophobicContact CB-CD2 3.87Å; A33-I113 HydrophobicContact CB-CD1 3.83Å
34W94.6Very high82.5Confident174 Ų17470.7 Ų70.766%0.65941%0.408SS*.EExtended strand (participates in β ladder)trans-128.8138.3172.4-179.589.8000110.2V45 T46W34-V45 CarbonylContact O-C 3.56Å; W34-V45 WeakPolarHBondContact O-CA 3.42Å; W34-T46 PolarHBondContact N-O 3.08Å; W34-T46 PolarHBondContact O-N 3.38Å
35P92.3Very high85.4Confident91 Ų9167.8 Ų67.859%0.59138%0.378SS*.SBendcis-77-210.431.2-35.8000113.9
36S90.8Very high88.1Confident27 Ų2763.9 Ų63.919%0.18934%0.343CS..  trans-154148.8-177.11690000110.3V38 V39 I159S36-V38 PolarHBondContact OG-N 3.4Å; S36-V38 PolarHBondContact OG-O 2.91Å; S36-V38 VanDerWaalsContact OG-O 3.05Å; S36-V39 WeakPolarHBondContact O-CG2 3.34Å; S36-I159 WeakPolarHBondContact OG-CD1 3.35Å
37P91.7Very high90.3Very high38 Ų3856.8 Ų56.825%0.24731%0.31CS..SBendtrans-73.3-14.6169.830.4-34.8000113.7A33 L111 K112 I113 I114A33-P37 HydrophobicContact CB-CB 4.12Å; P37-L111 HydrophobicContact CB-CD1 4.28Å; P37-K112 WeakPolarHBondContact CB-O 2.9Å; P37-I113 HydrophobicContact CB-CD1 4.14Å; P37-I113 WeakPolarHBondContact O-CA 3.22Å; P37-I114 PolarHBondContact O-N 3.48Å
38V92.7Very high92.2Very high33 Ų3352.7 Ų52.720%0.229%0.289CS..EExtended strand (participates in β ladder)trans-99.2115172.8-175.20000107.9S36 I114 T116 I159S36-V38 PolarHBondContact OG-N 3.4Å; S36-V38 PolarHBondContact OG-O 2.91Å; S36-V38 VanDerWaalsContact OG-O 3.05Å; V38-I114 HydrophobicContact CG1-CB 4.46Å; V38-I114 HydrophobicContact CG1-CG2 4.21Å; V38-I114 HydrophobicContact CG2-CB 4.27Å; V38-I114 HydrophobicContact CG2-CD1 3.96Å; V38-T116 HydrophobicContact CG1-CG2 3.44Å; V38-T116 VanDerWaalsContact CG1-CG2 3.44Å; V38-I159 HydrophobicContact CG2-CD1 4.35Å; V38-I159 HydrophobicContact CG2-CG2 4.06Å
39V94.3Very high93.6Very high5 Ų543.5 Ų43.53%0.0325%0.249CC..EExtended strand (participates in β ladder)trans-130.1130.5-167-163.60000109.9S36 V45 V84 I113 I114 V115 T116S36-V39 WeakPolarHBondContact O-CG2 3.34Å; V39-V45 HydrophobicContact CG1-CB 4.43Å; V39-V45 HydrophobicContact CG2-CB 3.73Å; V39-V45 HydrophobicContact CG2-CG1 4.07Å; V39-V45 HydrophobicContact CG2-CG2 4.06Å; V39-V84 HydrophobicContact CG1-CB 4.36Å; V39-V84 HydrophobicContact CG1-CG2 3.89Å; V39-I113 HydrophobicContact CG2-CG2 4.47Å; V39-I114 PolarHBondContact N-O 2.89Å; V39-V115 CarbonylContact O-C 3.59Å; V39-V115 VanDerWaalsContact O-CA 3.31Å; V39-V115 WeakPolarHBondContact O-CA 3.43Å; V39-T116 PolarHBondContact O-N 2.85Å
40P95Very high93.9Very high77 Ų7747 Ų4750%0.527%0.266SS..EExtended strand (participates in β ladder)trans-69151.1174.429-34.4000111.5G42 G43 T116P40-G42 PolarHBondContact O-N 3.07Å; P40-G43 WeakPolarHBondContact O-CA 3.25Å; P40-G43 PolarHBondContact O-N 2.79Å; P40-T116 WeakPolarHBondContact CA-OG1 3.39Å
41L96.6Very high93.6Very high87 Ų8746.5 Ų46.546%0.45526%0.262SS..THydrogen-bonded Turntrans-50.8134.8170.2-175.770.7000110.8G43 P86 V115 T116 L118L41-G43 PolarHBondContact O-N 2.81Å; L41-P86 HydrophobicContact CD1-CG 4.4Å; L41-V115 HydrophobicContact CD1-CG1 4.44Å; L41-T116 PolarHBondContact N-O 2.93Å; L41-L118 HydrophobicContact CB-CD2 4.42Å; L41-L118 HydrophobicContact CD1-CD2 3.87Å; L41-L118 HydrophobicContact CD2-CD2 4.14Å; L41-L118 HydrophobicContact CG-CD2 4.36Å
42G96.4Very high92.9Very high48 Ų4855.2 Ų55.250%0.49530%0.302SS..THydrogen-bonded Turntrans77.1-3.9-174.800000114.6P40 V84P40-G42 PolarHBondContact O-N 3.07Å; G42-V84 PolarHBondContact N-O 3.08Å
43G96.1Very high91.9Very high18 Ų1855.5 Ų55.519%0.18630%0.3CS..  trans-71.9-164.2-18000000114.2P40 L41 V84P40-G43 WeakPolarHBondContact O-CA 3.25Å; P40-G43 PolarHBondContact O-N 2.79Å; L41-G43 PolarHBondContact O-N 2.81Å; G43-V84 PolarHBondContact O-N 2.64Å
44R96.8Very high90.8Very high153 Ų15365.5 Ų65.558%0.57733%0.334SS*.  trans-137.7138.1180177.1178.2-64.5-179.31110.5T80 I81 S82R44-T80 HydrophobicContact CG-CG2 3.71Å; R44-I81 WeakPolarHBondContact CA-O 3.49Å; R44-S82 PolarHBondContact NE-OG 2.86Å
45V95.9Very high89.9Confident0 Ų058.2 Ų58.20%031%0.307CS..EExtended strand (participates in β ladder)trans-141.8140.6170.863.60000110.4A33 W34 V39 L47 T80 I81 V84A33-V45 HydrophobicContact CB-CG2 3.75Å; W34-V45 CarbonylContact O-C 3.56Å; W34-V45 WeakPolarHBondContact O-CA 3.42Å; V39-V45 HydrophobicContact CG1-CB 4.43Å; V39-V45 HydrophobicContact CG2-CB 3.73Å; V39-V45 HydrophobicContact CG2-CG1 4.07Å; V39-V45 HydrophobicContact CG2-CG2 4.06Å; V45-L47 HydrophobicContact CG2-CD2 4.23Å; V45-T80 WeakPolarHBondContact O-CA 2.99Å; V45-I81 HydrophobicContact CG1-CB 4.06Å; V45-I81 HydrophobicContact CG1-CD1 4.29Å; V45-I81 PolarHBondContact N-O 3.31Å; V45-I81 VanDerWaalsContact N-O 3.11Å; V45-I81 PolarHBondContact O-N 3.2Å; V45-V84 HydrophobicContact CG1-CG2 4.06Å
46T96.6Very high89Confident22 Ų2256.3 Ų56.314%0.13529%0.293CS..EExtended strand (participates in β ladder)trans-108.9121.5172.6-57.30000108.7A33 W34 N78 I79 T80A33-T46 CarbonylContact C-O 3.6Å; A33-T46 WeakPolarHBondContact CA-O 3.4Å; W34-T46 PolarHBondContact N-O 3.08Å; W34-T46 PolarHBondContact O-N 3.38Å; T46-N78 HydrophobicContact CG2-CB 4.3Å; T46-I79 CarbonylContact C-O 3.59Å; T46-I79 VanDerWaalsContact CA-O 3.3Å; T46-I79 WeakPolarHBondContact CA-O 3.36Å; T46-T80 PolarHBondContact OG1-OG1 3.3Å
47L96.3Very high88.7Confident0 Ų057.8 Ų57.80%030%0.299CS..EExtended strand (participates in β ladder)trans-89.7137.6170.6-53.2-174.1000108.4L31 S32 A33 V45 I60 N78 I79 I81 Y92 L111 I113L31-L47 HydrophobicContact CD1-CB 4.23Å; S32-L47 WeakPolarHBondContact O-CA 3.41Å; A33-L47 HydrophobicContact CB-CD2 3.92Å; V45-L47 HydrophobicContact CG2-CD2 4.23Å; L47-I60 HydrophobicContact CB-CD1 4.37Å; L47-I60 HydrophobicContact CD1-CG2 4.43Å; L47-N78 CarbonylContact O-C 3.56Å; L47-N78 WeakPolarHBondContact O-CA 3.37Å; L47-I79 HydrophobicContact CB-CG2 3.96Å; L47-I79 HydrophobicContact CD1-CG2 4.44Å; L47-I79 HydrophobicContact CG-CG2 4.42Å; L47-I79 PolarHBondContact N-O 3.46Å; L47-I79 PolarHBondContact O-N 2.67Å; L47-I81 HydrophobicContact CD1-CD1 4.16Å; L47-I81 HydrophobicContact CG-CD1 4.46Å; L47-Y92 HydrophobicContact CD1-CD1 3.47Å; L47-Y92 VanDerWaalsContact CD1-CD1 3.47Å; L47-Y92 HydrophobicContact CD1-CE1 3.74Å; L47-Y92 HydrophobicContact CD1-CG 3.88Å; L47-L111 HydrophobicContact CD2-CD2 4.02Å; L47-I113 HydrophobicContact CD2-CD1 3.67Å; L47-I113 HydrophobicContact CD2-CG1 4.14Å
48S94.1Very high88.5Confident16 Ų1656.8 Ų56.811%0.11229%0.29CS..EExtended strand (participates in β ladder)trans-140.7127.1-179.2-58.20000111.1S32 H50 N77S32-S48 PolarHBondContact N-O 3.22Å; S32-S48 PolarHBondContact O-N 3.45Å; S32-S48 PolarHBondContact OG-O 2.83Å; S48-H50 PolarHBondContact O-CD2 2.88Å; S48-H50 VanDerWaalsContact O-CD2 3.26Å; S48-H50 PolarHBondContact O-NE2 2.8Å; S48-N77 WeakPolarHBondContact CA-O 3.45Å
49C91.3Very high88.4Confident0 Ų055.3 Ų55.30%028%0.281CS..EExtended strand (participates in β ladder)trans-90.5128172.9-63.20000109.9S30 W58 N77 C94S30-C49 CarbonylContact O-C 3.58Å; S30-C49 WeakPolarHBondContact O-CA 3.48Å; C49-W58 HydrophobicContact CB-CD2 4.4Å; C49-W58 HydrophobicContact CB-CE3 3.61Å; C49-W58 HydrophobicContact CB-CH2 4.21Å; C49-W58 HydrophobicContact CB-CZ3 3.51Å; C49-N77 HydrophobicContact CB-CB 4.36Å; C49-N77 PolarHBondContact N-O 3.27Å; C49-N77 WeakPolarHBondContact O-CB 3.22Å; C49-N77 PolarHBondContact O-ND2 3.43Å; C49-C94 HydrophobicContact CB-CB 4.29Å; C49-C94 WeakPolarHBondContact CB-SG 3.5Å; C49-C94 WeakPolarHBondContact SG-CB 3.43Å; C49-C94 CovalentContact SG-SG 2.03Å; C49-C94 PolarHBondContact SG-SG 3.03Å
50H88.1Confident88.2Confident87 Ų8755 Ų5540%0.40328%0.279SS..EExtended strand (participates in β ladder)trans-114.5123.3-178-57.6-85.2000108.7F29 S30 S32 S48F29-H50 CarbonylContact C-O 3.58Å; F29-H50 WeakPolarHBondContact CA-O 3.27Å; F29-H50 VanDerWaalsContact CB-O 3.24Å; F29-H50 WeakPolarHBondContact CB-O 3.34Å; S30-H50 PolarHBondContact N-O 3.11Å; S30-H50 PolarHBondContact O-N 2.71Å; S32-H50 PolarHBondContact OG-CD2 2.89Å; S32-H50 PolarHBondContact OG-NE2 2.79Å; S48-H50 PolarHBondContact O-CD2 2.88Å; S48-H50 VanDerWaalsContact O-CD2 3.26Å; S48-H50 PolarHBondContact O-NE2 2.8Å
51S83.3Confident88.1Confident36 Ų3653.9 Ų53.925%0.25227%0.266SS..  trans-141.1149.4170.8-169.20000111.2L53 F55S51-L53 WeakPolarHBondContact OG-CB 3.26Å; S51-L53 PolarHBondContact OG-N 2.87Å; S51-F55 VanDerWaalsContact OG-CE2 3.29Å; S51-F55 WeakPolarHBondContact OG-CE2 3.5Å
52H78.9Confident87.9Confident188 Ų18850.5 Ų50.587%0.8725%0.248SC*.SBendtrans-77.7-14.1166.8-58.6-66.5000112.3
53L74.3Confident87.4Confident46 Ų4650.3 Ų50.324%0.24124%0.237CC..SBendtrans-91.1149.7-179.5-58.1173.3000111.1D27 S51 F55 Y98D27-L53 HydrophobicContact CB-CD1 3.42Å; D27-L53 VanDerWaalsContact CB-CD1 3.42Å; D27-L53 HydrophobicContact CB-CG 4.12Å; S51-L53 WeakPolarHBondContact OG-CB 3.26Å; S51-L53 PolarHBondContact OG-N 2.87Å; L53-F55 HydrophobicContact CB-CD2 4.4Å; L53-F55 HydrophobicContact CB-CE2 3.85Å; L53-F55 HydrophobicContact CB-CZ 3.99Å; L53-F55 HydrophobicContact CD1-CZ 4.06Å; L53-F55 PolarHBondContact O-N 2.93Å; L53-Y98 HydrophobicContact CB-CE1 4.42Å; L53-Y98 HydrophobicContact CD1-CE1 3.98Å
54R71.7Confident86.5Confident229 Ų22952 Ų5286%0.86424%0.244SC*.  trans-88.598178.8-62.4-162.1-173.4-166.24.1110.9
55F74.2Confident85.3Confident22 Ų2248.3 Ų48.310%0.09625%0.254CS..EExtended strand (participates in β ladder)trans-91.7150.2169.8-60.2-72.3000111.3S51 L53 W58 Y98S51-F55 VanDerWaalsContact OG-CE2 3.29Å; S51-F55 WeakPolarHBondContact OG-CE2 3.5Å; L53-F55 HydrophobicContact CB-CD2 4.4Å; L53-F55 HydrophobicContact CB-CE2 3.85Å; L53-F55 HydrophobicContact CB-CZ 3.99Å; L53-F55 HydrophobicContact CD1-CZ 4.06Å; L53-F55 PolarHBondContact O-N 2.93Å; F55-W58 HydrophobicContact CB-CD2 4.28Å; F55-W58 HydrophobicContact CB-CH2 4.31Å; F55-W58 HydrophobicContact CB-CZ2 3.8Å; F55-W58 HydrophobicContact CD2-CE3 4.46Å; F55-W58 AromaticContact CD2-CH2 3.27Å; F55-W58 HydrophobicContact CD2-CH2 3.27Å; F55-W58 AromaticContact CD2-CZ2 3.55Å; F55-W58 HydrophobicContact CD2-CZ2 3.55Å; F55-W58 AromaticContact CD2-CZ3 3.74Å; F55-W58 HydrophobicContact CD2-CZ3 3.74Å; F55-W58 AromaticContact CE2-CH2 3.91Å; F55-W58 HydrophobicContact CE2-CH2 3.91Å; F55-W58 HydrophobicContact CE2-CZ3 4.19Å; F55-W58 HydrophobicContact CG-CH2 4.15Å; F55-W58 HydrophobicContact CG-CZ2 4.12Å; F55-W58 HydrophobicContact CG-CZ3 4.43Å; F55-Y98 HydrophobicContact CD1-CD1 4.02Å; F55-Y98 HydrophobicContact CD1-CE1 4.09Å; F55-Y98 HydrophobicContact CD1-CG 4.4Å; F55-Y98 AromaticContact CE1-CD1 3.7Å; F55-Y98 HydrophobicContact CE1-CD1 3.7Å; F55-Y98 HydrophobicContact CE1-CD2 4.33Å; F55-Y98 AromaticContact CE1-CE1 3.32Å; F55-Y98 HydrophobicContact CE1-CE1 3.32Å; F55-Y98 AromaticContact CE1-CE2 3.99Å; F55-Y98 HydrophobicContact CE1-CE2 3.99Å; F55-Y98 HydrophobicContact CE1-CG 4.18Å; F55-Y98 AromaticContact CE1-CZ 3.47Å; F55-Y98 VanDerWaalsContact CE1-CZ 3.47Å; F55-Y98 AromaticContact CZ-CE1 3.87Å; F55-Y98 HydrophobicContact CZ-CE1 3.87Å; F55-Y98 AromaticContact CZ-CZ 3.97Å
56V74.6Confident84Confident50 Ų5055.2 Ų55.230%0.30330%0.296SS..EExtended strand (participates in β ladder)trans-98-43.6176.2-177.10000110.6L75 I97 K99V56-L75 HydrophobicContact CG1-CD2 3.82Å; V56-L75 WeakPolarHBondContact O-CA 3.24Å; V56-L75 WeakPolarHBondContact O-CD2 3.47Å; V56-I97 PolarHBondContact N-O 2.87Å; V56-K99 HydrophobicContact CG2-CB 3.25Å; V56-K99 HydrophobicContact CG2-CD 3.93Å; V56-K99 HydrophobicContact CG2-CG 3.47Å; V56-K99 VanDerWaalsContact CG2-CG 3.47Å
57I83.8Confident83Confident59 Ų5962.7 Ų62.730%0.30332%0.322SS..EExtended strand (participates in β ladder)trans-119.2132.1-178.8-58.6174.7000107.4T73 G74 G96 I97I57-T73 HydrophobicContact CG2-CG2 3.55Å; I57-G74 WeakPolarHBondContact CA-O 3.44Å; I57-G96 CarbonylContact O-C 3.58Å; I57-G96 VanDerWaalsContact O-CA 3.27Å; I57-G96 WeakPolarHBondContact O-CA 3.47Å; I57-I97 HydrophobicContact CB-CB 4.24Å; I57-I97 HydrophobicContact CB-CD1 4.21Å; I57-I97 HydrophobicContact CB-CG1 4.39Å; I57-I97 HydrophobicContact CD1-CD1 4.43Å; I57-I97 HydrophobicContact CG2-CD1 4.35Å; I57-I97 PolarHBondContact O-N 2.83Å
58W87.8Confident82.4Confident17 Ų1766.8 Ų66.86%0.06435%0.351CS..EExtended strand (participates in β ladder)trans-110.9133.4173.1-63.292.5000108.4F29 C49 F55 T73 G74 N77F29-W58 HydrophobicContact CD2-CZ3 4.46Å; C49-W58 HydrophobicContact CB-CD2 4.4Å; C49-W58 HydrophobicContact CB-CE3 3.61Å; C49-W58 HydrophobicContact CB-CH2 4.21Å; C49-W58 HydrophobicContact CB-CZ3 3.51Å; F55-W58 HydrophobicContact CB-CD2 4.28Å; F55-W58 HydrophobicContact CB-CH2 4.31Å; F55-W58 HydrophobicContact CB-CZ2 3.8Å; F55-W58 HydrophobicContact CD2-CE3 4.46Å; F55-W58 AromaticContact CD2-CH2 3.27Å; F55-W58 HydrophobicContact CD2-CH2 3.27Å; F55-W58 AromaticContact CD2-CZ2 3.55Å; F55-W58 HydrophobicContact CD2-CZ2 3.55Å; F55-W58 AromaticContact CD2-CZ3 3.74Å; F55-W58 HydrophobicContact CD2-CZ3 3.74Å; F55-W58 AromaticContact CE2-CH2 3.91Å; F55-W58 HydrophobicContact CE2-CH2 3.91Å; F55-W58 HydrophobicContact CE2-CZ3 4.19Å; F55-W58 HydrophobicContact CG-CH2 4.15Å; F55-W58 HydrophobicContact CG-CZ2 4.12Å; F55-W58 HydrophobicContact CG-CZ3 4.43Å; W58-T73 CarbonylContact O-C 3.56Å; W58-T73 VanDerWaalsContact O-CA 3.25Å; W58-T73 WeakPolarHBondContact O-CA 3.37Å; W58-G74 PolarHBondContact N-O 2.84Å; W58-G74 PolarHBondContact O-N 2.82Å; W58-N77 HydrophobicContact CD2-CB 3.76Å; W58-N77 HydrophobicContact CE3-CB 4.45Å; W58-N77 HydrophobicContact CG-CB 3.88Å; W58-N77 HydrophobicContact CZ2-CB 3.93Å
59T89.8Confident82Confident1 Ų170.6 Ų70.61%0.00637%0.366CS..EExtended strand (participates in β ladder)trans-121.1128.3171.6-58.60000109.4F61 E70 H72 T73 C94 V95T59-F61 HydrophobicContact CG2-CD1 4.14Å; T59-F61 HydrophobicContact CG2-CD2 4.21Å; T59-F61 HydrophobicContact CG2-CE1 3.54Å; T59-F61 HydrophobicContact CG2-CE2 3.65Å; T59-F61 HydrophobicContact CG2-CG 4.44Å; T59-F61 HydrophobicContact CG2-CZ 3.27Å; T59-E70 HydrophobicContact CG2-CG 3.72Å; T59-H72 CarbonylContact C-O 3.51Å; T59-H72 WeakPolarHBondContact CA-O 3.31Å; T59-T73 WeakPolarHBondContact CG2-OG1 3.37Å; T59-T73 PolarHBondContact OG1-OG1 2.86Å; T59-C94 CarbonylContact O-C 3.56Å; T59-C94 WeakPolarHBondContact O-CA 3.34Å; T59-C94 VanDerWaalsContact O-CB 3.32Å; T59-C94 WeakPolarHBondContact O-CB 3.29Å; T59-V95 PolarHBondContact N-O 2.94Å; T59-V95 PolarHBondContact O-N 3.03Å
60I91.5Very high81.9Confident0 Ų076.3 Ų76.30%039%0.393CS..EExtended strand (participates in β ladder)trans-110.5122.4174.9-52.2-167.2000108.3L31 L47 L71 H72 I79 Y92 R93 C94L31-I60 HydrophobicContact CD1-CD1 4.48Å; L47-I60 HydrophobicContact CB-CD1 4.37Å; L47-I60 HydrophobicContact CD1-CG2 4.43Å; I60-L71 PolarHBondContact O-N 2.89Å; I60-H72 HydrophobicContact CB-CB 4.37Å; I60-H72 PolarHBondContact N-O 3.26Å; I60-H72 PolarHBondContact O-N 2.94Å; I60-I79 HydrophobicContact CD1-CG2 3.82Å; I60-Y92 HydrophobicContact CG2-CD1 4.08Å; I60-R93 WeakPolarHBondContact CA-O 3.42Å; I60-C94 HydrophobicContact CB-CB 4.45Å; I60-C94 HydrophobicContact CG1-CB 3.88Å
61F92.1Very high81.9Confident53 Ų5374.8 Ų74.823%0.23239%0.388CS..EExtended strand (participates in β ladder)trans-103.8141.1175.9-57.6-76.3000110.2T59 H69 E70 Y92 R93 V95T59-F61 HydrophobicContact CG2-CD1 4.14Å; T59-F61 HydrophobicContact CG2-CD2 4.21Å; T59-F61 HydrophobicContact CG2-CE1 3.54Å; T59-F61 HydrophobicContact CG2-CE2 3.65Å; T59-F61 HydrophobicContact CG2-CG 4.44Å; T59-F61 HydrophobicContact CG2-CZ 3.27Å; F61-H69 CarbonylContact C-O 3.59Å; F61-H69 VanDerWaalsContact CA-O 3.3Å; F61-H69 WeakPolarHBondContact CA-O 3.28Å; F61-E70 HydrophobicContact CD1-CB 4.1Å; F61-E70 HydrophobicContact CD1-CG 4.45Å; F61-E70 HydrophobicContact CE1-CB 4.05Å; F61-E70 HydrophobicContact CE1-CG 4.18Å; F61-Y92 VanDerWaalsContact O-CA 3.3Å; F61-Y92 WeakPolarHBondContact O-CA 3.44Å; F61-R93 PolarHBondContact N-O 2.86Å; F61-R93 PolarHBondContact O-N 2.84Å; F61-V95 HydrophobicContact CD2-CG2 4.38Å; F61-V95 HydrophobicContact CE2-CG1 4.42Å; F61-V95 HydrophobicContact CE2-CG2 3.55Å; F61-V95 HydrophobicContact CZ-CG2 4.35Å
62Q92.3Very high82.1Confident16 Ų1675 Ų758%0.07539%0.385CS..EExtended strand (participates in β ladder)trans-102.9132.1164.1-174-174.6800108.8T64 S68 H69 E87 H88 A89 T91 Y92Q62-T64 HydrophobicContact CG-CG2 4.28Å; Q62-S68 CarbonylContact O-C 3.56Å; Q62-S68 WeakPolarHBondContact O-CA 2.89Å; Q62-H69 PolarHBondContact N-O 3.17Å; Q62-H69 PolarHBondContact O-N 2.86Å; Q62-E87 PolarHBondContact NE2-O 3.38Å; Q62-H88 VanDerWaalsContact NE2-C 3.32Å; Q62-H88 PolarHBondContact NE2-O 2.82Å; Q62-A89 PolarHBondContact NE2-O 2.75Å; Q62-A89 VanDerWaalsContact NE2-O 3.09Å; Q62-T91 CarbonylContact C-O 3.45Å; Q62-Y92 HydrophobicContact CB-CD1 4.01Å; Q62-Y92 HydrophobicContact CB-CE1 3.61Å; Q62-Y92 VanDerWaalsContact CD-OH 3.24Å; Q62-Y92 HydrophobicContact CG-CD1 4.33Å; Q62-Y92 HydrophobicContact CG-CD2 4.45Å; Q62-Y92 HydrophobicContact CG-CE1 3.76Å; Q62-Y92 HydrophobicContact CG-CE2 3.88Å; Q62-Y92 PolarHBondContact NE2-OH 3.33Å
63T86.3Confident82.5Confident43 Ų4369 Ų6926%0.26436%0.362SS..EExtended strand (participates in β ladder)trans-113.4120.4174.4-50.10000109.7R67 T91T63-R67 VanDerWaalsContact CA-O 3.28Å; T63-R67 WeakPolarHBondContact CA-O 3.47Å; T63-T91 PolarHBondContact N-O 2.79Å; T63-T91 PolarHBondContact O-N 3.1Å; T63-T91 VanDerWaalsContact O-N 3.08Å
64T76.7Confident83.1Confident54 Ų5467.8 Ų67.833%0.33136%0.359SS..EExtended strand (participates in β ladder)trans-121.1110.2174.150.50000108.5Q62 T66 R67 A89Q62-T64 HydrophobicContact CG-CG2 4.28Å; T64-T66 PolarHBondContact O-N 3.39Å; T64-T66 VanDerWaalsContact O-N 3.14Å; T64-R67 PolarHBondContact N-O 3.36Å; T64-R67 PolarHBondContact O-N 3.17Å; T64-R67 VanDerWaalsContact O-N 3.14Å; T64-A89 WeakPolarHBondContact CG2-O 3.48Å
65G72.6Confident83.7Confident76 Ų7663.2 Ų63.278%0.78435%0.352SS*.THydrogen-bonded Turntrans61.7-114.9-170.500000111.7
66T67.9Low84.3Confident144 Ų14464.7 Ų64.788%0.88337%0.365SS*.THydrogen-bonded Turntrans-100.2-7.2178.556.30000114T64T64-T66 PolarHBondContact O-N 3.39Å; T64-T66 VanDerWaalsContact O-N 3.14Å
67R76.6Confident84.9Confident179 Ų17965 Ų6568%0.67536%0.364SS*.EExtended strand (participates in β ladder)trans-93.1135-176.8-67.2-178.6174.3169-1.2110.2T63 T64T63-R67 VanDerWaalsContact CA-O 3.28Å; T63-R67 WeakPolarHBondContact CA-O 3.47Å; T64-R67 PolarHBondContact N-O 3.36Å; T64-R67 PolarHBondContact O-N 3.17Å; T64-R67 VanDerWaalsContact O-N 3.14Å
68S82.3Confident85.3Confident86 Ų8665.3 Ų65.360%0.60137%0.367SS*.EExtended strand (participates in β ladder)trans-110.8130.7170.854.90000109.3Q62Q62-S68 CarbonylContact O-C 3.56Å; Q62-S68 WeakPolarHBondContact O-CA 2.89Å
69H86Confident85.6Confident96 Ų9666 Ų6644%0.44437%0.372SS..EExtended strand (participates in β ladder)trans-120.4130179.3-64.4-83.3000108.4F61 Q62 L71F61-H69 CarbonylContact C-O 3.59Å; F61-H69 VanDerWaalsContact CA-O 3.3Å; F61-H69 WeakPolarHBondContact CA-O 3.28Å; Q62-H69 PolarHBondContact N-O 3.17Å; Q62-H69 PolarHBondContact O-N 2.86Å; H69-L71 PolarHBondContact O-N 2.86Å
70E88.8Confident85.9Confident121 Ų12169.6 Ų69.657%0.56539%0.393SS*.EExtended strand (participates in β ladder)trans-73.1114.1171.2-173.3174.3129.700108.8T59 F61 T73T59-E70 HydrophobicContact CG2-CG 3.72Å; F61-E70 HydrophobicContact CD1-CB 4.1Å; F61-E70 HydrophobicContact CD1-CG 4.45Å; F61-E70 HydrophobicContact CE1-CB 4.05Å; F61-E70 HydrophobicContact CE1-CG 4.18Å; E70-T73 WeakPolarHBondContact OE1-CB 3.44Å; E70-T73 PolarHBondContact OE1-OG1 2.95Å
71L87.5Confident86.1Confident55 Ų5570 Ų7029%0.28840%0.396SS..EExtended strand (participates in β ladder)trans-90.2-37.3179.8-175.369.8000111.3I60 H69 I79 I81 Y92I60-L71 PolarHBondContact O-N 2.89Å; H69-L71 PolarHBondContact O-N 2.86Å; L71-I79 HydrophobicContact CD2-CD1 4.14Å; L71-I79 HydrophobicContact CG-CD1 4.05Å; L71-I81 HydrophobicContact CD2-CD1 3.89Å; L71-I81 HydrophobicContact CD2-CG1 4.29Å; L71-Y92 HydrophobicContact CD2-CD1 4.49Å; L71-Y92 HydrophobicContact CD2-CE1 3.69Å
72H88.1Confident86.3Confident40 Ų4070.3 Ų70.319%0.18540%0.404CS..EExtended strand (participates in β ladder)trans-150.6133.3-175.3176.971000110.4T59 I60 S76 I79T59-H72 CarbonylContact C-O 3.51Å; T59-H72 WeakPolarHBondContact CA-O 3.31Å; I60-H72 HydrophobicContact CB-CB 4.37Å; I60-H72 PolarHBondContact N-O 3.26Å; I60-H72 PolarHBondContact O-N 2.94Å; H72-S76 PolarHBondContact NE2-O 1.99Å; H72-I79 HydrophobicContact CB-CB 4.25Å; H72-I79 HydrophobicContact CB-CD1 3.69Å; H72-I79 HydrophobicContact CB-CG2 4.44Å
73T87.9Confident86.5Confident63 Ų6373.6 Ų73.639%0.38743%0.427SS..EExtended strand (participates in β ladder)trans-133.9126.2165.6-71.30000109.7I57 W58 T59 E70I57-T73 HydrophobicContact CG2-CG2 3.55Å; W58-T73 CarbonylContact O-C 3.56Å; W58-T73 VanDerWaalsContact O-CA 3.25Å; W58-T73 WeakPolarHBondContact O-CA 3.37Å; T59-T73 WeakPolarHBondContact CG2-OG1 3.37Å; T59-T73 PolarHBondContact OG1-OG1 2.86Å; E70-T73 WeakPolarHBondContact OE1-CB 3.44Å; E70-T73 PolarHBondContact OE1-OG1 2.95Å
74G86.5Confident87Confident19 Ų1971.6 Ų71.620%0.19642%0.415CS..EExtended strand (participates in β ladder)trans172.9-170176.100000114.7I57 W58 S76I57-G74 WeakPolarHBondContact CA-O 3.44Å; W58-G74 PolarHBondContact N-O 2.84Å; W58-G74 PolarHBondContact O-N 2.82Å; G74-S76 VanDerWaalsContact C-N 3.3Å
75L85.2Confident87.9Confident134 Ų13470.9 Ų70.970%0.70241%0.411SS*.SBendtrans-72.3-26.2179.9-58.1178.6000112.8V56V56-L75 HydrophobicContact CG1-CD2 3.82Å; V56-L75 WeakPolarHBondContact O-CA 3.24Å; V56-L75 WeakPolarHBondContact O-CD2 3.47Å
76S86Confident88.9Confident53 Ų5369.9 Ų69.937%0.37139%0.39SS..  trans-74.6127.8177.2-178.90000110.1H72 G74 N78H72-S76 PolarHBondContact NE2-O 1.99Å; G74-S76 VanDerWaalsContact C-N 3.3Å; S76-N78 PolarHBondContact O-N 3.21Å; S76-N78 PolarHBondContact OG-N 2.75Å; S76-N78 VanDerWaalsContact OG-N 3.09Å; S76-N78 PolarHBondContact OG-O 3.34Å
77N87.6Confident90.1Very high55 Ų5569.5 Ų69.529%0.29438%0.378SS..SBendtrans-78.73.2169.261.5-47.3000112.9S48 C49 W58S48-N77 WeakPolarHBondContact CA-O 3.45Å; C49-N77 HydrophobicContact CB-CB 4.36Å; C49-N77 PolarHBondContact N-O 3.27Å; C49-N77 WeakPolarHBondContact O-CB 3.22Å; C49-N77 PolarHBondContact O-ND2 3.43Å; W58-N77 HydrophobicContact CD2-CB 3.76Å; W58-N77 HydrophobicContact CE3-CB 4.45Å; W58-N77 HydrophobicContact CG-CB 3.88Å; W58-N77 HydrophobicContact CZ2-CB 3.93Å
78N92.3Very high90.9Very high67 Ų6762.4 Ų62.436%0.35835%0.353SS..EExtended strand (participates in β ladder)trans-127.1142.8-175.9-32.9-15.3000110.7T46 L47 S76T46-N78 HydrophobicContact CG2-CB 4.3Å; L47-N78 CarbonylContact O-C 3.56Å; L47-N78 WeakPolarHBondContact O-CA 3.37Å; S76-N78 PolarHBondContact O-N 3.21Å; S76-N78 PolarHBondContact OG-N 2.75Å; S76-N78 VanDerWaalsContact OG-N 3.09Å; S76-N78 PolarHBondContact OG-O 3.34Å
79I94.4Very high91.4Very high32 Ų3258.7 Ų58.716%0.16433%0.327CS..EExtended strand (participates in β ladder)trans-133.1139.5166.5-179.6164.8000109.6T46 L47 I60 L71 H72T46-I79 CarbonylContact C-O 3.59Å; T46-I79 VanDerWaalsContact CA-O 3.3Å; T46-I79 WeakPolarHBondContact CA-O 3.36Å; L47-I79 HydrophobicContact CB-CG2 3.96Å; L47-I79 HydrophobicContact CD1-CG2 4.44Å; L47-I79 HydrophobicContact CG-CG2 4.42Å; L47-I79 PolarHBondContact N-O 3.46Å; L47-I79 PolarHBondContact O-N 2.67Å; I60-I79 HydrophobicContact CD1-CG2 3.82Å; L71-I79 HydrophobicContact CD2-CD1 4.14Å; L71-I79 HydrophobicContact CG-CD1 4.05Å; H72-I79 HydrophobicContact CB-CB 4.25Å; H72-I79 HydrophobicContact CB-CD1 3.69Å; H72-I79 HydrophobicContact CB-CG2 4.44Å
80T96.1Very high91.7Very high75 Ų7554.1 Ų54.146%0.4631%0.306SS..EExtended strand (participates in β ladder)trans-106.6126.3172.9-59.40000109.7R44 V45 T46R44-T80 HydrophobicContact CG-CG2 3.71Å; V45-T80 WeakPolarHBondContact O-CA 2.99Å; T46-T80 PolarHBondContact OG1-OG1 3.3Å
81I96Very high92Very high9 Ų949.2 Ų49.25%0.04628%0.284CS..EExtended strand (participates in β ladder)trans-99.8117.7174.5-56.8170.4000107.2R44 V45 L47 L71 V84 H88R44-I81 WeakPolarHBondContact CA-O 3.49Å; V45-I81 HydrophobicContact CG1-CB 4.06Å; V45-I81 HydrophobicContact CG1-CD1 4.29Å; V45-I81 PolarHBondContact N-O 3.31Å; V45-I81 VanDerWaalsContact N-O 3.11Å; V45-I81 PolarHBondContact O-N 3.2Å; L47-I81 HydrophobicContact CD1-CD1 4.16Å; L47-I81 HydrophobicContact CG-CD1 4.46Å; L71-I81 HydrophobicContact CD2-CD1 3.89Å; L71-I81 HydrophobicContact CD2-CG1 4.29Å; I81-V84 HydrophobicContact CB-CG2 4.43Å; I81-V84 HydrophobicContact CG2-CG2 3.89Å; I81-H88 HydrophobicContact CG2-CB 4.33Å; I81-H88 WeakPolarHBondContact CG2-CD2 3.28Å
82S95.6Very high92.3Very high59 Ų5946.6 Ų46.641%0.41327%0.271SS..  trans-163.8126.6178.9-164.30000109.5R44R44-S82 PolarHBondContact NE-OG 2.86Å
83P96.7Very high92.5Very high86 Ų8648.8 Ų48.856%0.55828%0.277SS*.SBendcis-71.3147.3-7.830.8-34.2000112.4
84V96.7Very high92.7Very high1 Ų145.8 Ų45.81%0.00626%0.259CS..  trans-73.8132.4171.91720000110.4V39 G42 G43 V45 I81 H88 V115V39-V84 HydrophobicContact CG1-CB 4.36Å; V39-V84 HydrophobicContact CG1-CG2 3.89Å; G42-V84 PolarHBondContact N-O 3.08Å; G43-V84 PolarHBondContact O-N 2.64Å; V45-V84 HydrophobicContact CG1-CG2 4.06Å; I81-V84 HydrophobicContact CB-CG2 4.43Å; I81-V84 HydrophobicContact CG2-CG2 3.89Å; V84-H88 HydrophobicContact CG1-CB 4.44Å; V84-V115 HydrophobicContact CG1-CB 4.49Å; V84-V115 HydrophobicContact CG1-CG1 4.05Å; V84-V115 HydrophobicContact CG1-CG2 3.67Å
85T95.6Very high92.8Very high39 Ų3945.4 Ų45.424%0.23925%0.252CS..  trans-121.4168.9176.967.50000109.6E87 H88T85-E87 PolarHBondContact O-N 2.8Å; T85-E87 VanDerWaalsContact OG1-CD 3.28Å; T85-E87 VanDerWaalsContact OG1-CG 3.24Å; T85-E87 WeakPolarHBondContact OG1-CG 2.98Å; T85-E87 PolarHBondContact OG1-OE1 2.7Å; T85-H88 PolarHBondContact N-ND1 3.02Å; T85-H88 PolarHBondContact O-N 3.38Å; T85-H88 PolarHBondContact OG1-CE1 3.06Å; T85-H88 VanDerWaalsContact OG1-CE1 3.24Å; T85-H88 PolarHBondContact OG1-ND1 3.33Å
86P93.5Very high93Very high54 Ų5439 Ų3935%0.35122%0.219SC..G310 helixtrans-57.1-32.2178.9-20.630.2000113.4L41 H88 A89 L118L41-P86 HydrophobicContact CD1-CG 4.4Å; P86-H88 PolarHBondContact O-N 3.14Å; P86-H88 VanDerWaalsContact O-N 3.12Å; P86-A89 WeakPolarHBondContact O-CB 3.25Å; P86-A89 PolarHBondContact O-N 3.48Å; P86-L118 HydrophobicContact CB-CD1 4.22Å; P86-L118 HydrophobicContact CB-CD2 4.36Å; P86-L118 HydrophobicContact CG-CD1 4.45Å; P86-L118 HydrophobicContact CG-CD2 3.71Å
87E92.1Very high92.9Very high136 Ų13638 Ų3864%0.63621%0.209SC*.G310 helixtrans-64.3-20.1-177.683.5-149.7132.400113.4Q62 T85 A89Q62-E87 PolarHBondContact NE2-O 3.38Å; T85-E87 PolarHBondContact O-N 2.8Å; T85-E87 VanDerWaalsContact OG1-CD 3.28Å; T85-E87 VanDerWaalsContact OG1-CG 3.24Å; T85-E87 WeakPolarHBondContact OG1-CG 2.98Å; T85-E87 PolarHBondContact OG1-OE1 2.7Å; E87-A89 VanDerWaalsContact C-N 3.3Å
88H93.3Very high92.6Very high31 Ų3138.8 Ų38.814%0.14421%0.208CC..G310 helixtrans-82.6-8177.5-61.6100.9000112.8Q62 I81 V84 T85 P86 Y92Q62-H88 VanDerWaalsContact NE2-C 3.32Å; Q62-H88 PolarHBondContact NE2-O 2.82Å; I81-H88 HydrophobicContact CG2-CB 4.33Å; I81-H88 WeakPolarHBondContact CG2-CD2 3.28Å; V84-H88 HydrophobicContact CG1-CB 4.44Å; T85-H88 PolarHBondContact N-ND1 3.02Å; T85-H88 PolarHBondContact O-N 3.38Å; T85-H88 PolarHBondContact OG1-CE1 3.06Å; T85-H88 VanDerWaalsContact OG1-CE1 3.24Å; T85-H88 PolarHBondContact OG1-ND1 3.33Å; P86-H88 PolarHBondContact O-N 3.14Å; P86-H88 VanDerWaalsContact O-N 3.12Å; H88-Y92 WeakPolarHBondContact O-CE2 3.11Å; H88-Y92 PolarHBondContact O-OH 2.55Å
89A93.1Very high91.4Very high7 Ų742.5 Ų42.56%0.05822%0.221CC..  trans-67.8132.2174.500000109.9Q62 T64 P86 E87 V115 E205Q62-A89 PolarHBondContact NE2-O 2.75Å; Q62-A89 VanDerWaalsContact NE2-O 3.09Å; T64-A89 WeakPolarHBondContact CG2-O 3.48Å; P86-A89 WeakPolarHBondContact O-CB 3.25Å; P86-A89 PolarHBondContact O-N 3.48Å; E87-A89 VanDerWaalsContact C-N 3.3Å; A89-V115 HydrophobicContact CB-CB 4.29Å; A89-V115 HydrophobicContact CB-CG2 3.76Å; A89-E205 HydrophobicContact CB-CG 3.97Å
90G93.3Very high90.1Very high0 Ų049.2 Ų49.20%025%0.252CS..EExtended strand (participates in β ladder)trans158.1-172.7-177.700000115.4K112 I113G90-K112 CarbonylContact O-C 3.5Å; G90-K112 WeakPolarHBondContact O-CA 3.48Å; G90-I113 PolarHBondContact N-O 2.83Å; G90-I113 VanDerWaalsContact N-O 3.08Å; G90-I113 PolarHBondContact O-N 2.86Å
91T93.8Very high88.8Confident19 Ų1948.7 Ų48.712%0.11726%0.255CS..EExtended strand (participates in β ladder)trans-99.5131.1174.6-62.10000110Q62 T63 L111 Y204Q62-T91 CarbonylContact C-O 3.45Å; T63-T91 PolarHBondContact N-O 2.79Å; T63-T91 PolarHBondContact O-N 3.1Å; T63-T91 VanDerWaalsContact O-N 3.08Å; T91-L111 CarbonylContact C-O 3.53Å; T91-L111 WeakPolarHBondContact CA-O 3.44Å; T91-Y204 PolarHBondContact OG1-OH 3.4Å
92Y93.8Very high87.6Confident0 Ų053.5 Ų53.50%029%0.29CS..EExtended strand (participates in β ladder)trans-112.8144.2-179.7-69.6-100.6000110.6L47 I60 F61 Q62 L71 H88 L111 I113L47-Y92 HydrophobicContact CD1-CD1 3.47Å; L47-Y92 VanDerWaalsContact CD1-CD1 3.47Å; L47-Y92 HydrophobicContact CD1-CE1 3.74Å; L47-Y92 HydrophobicContact CD1-CG 3.88Å; I60-Y92 HydrophobicContact CG2-CD1 4.08Å; F61-Y92 VanDerWaalsContact O-CA 3.3Å; F61-Y92 WeakPolarHBondContact O-CA 3.44Å; Q62-Y92 HydrophobicContact CB-CD1 4.01Å; Q62-Y92 HydrophobicContact CB-CE1 3.61Å; Q62-Y92 VanDerWaalsContact CD-OH 3.24Å; Q62-Y92 HydrophobicContact CG-CD1 4.33Å; Q62-Y92 HydrophobicContact CG-CD2 4.45Å; Q62-Y92 HydrophobicContact CG-CE1 3.76Å; Q62-Y92 HydrophobicContact CG-CE2 3.88Å; Q62-Y92 PolarHBondContact NE2-OH 3.33Å; L71-Y92 HydrophobicContact CD2-CD1 4.49Å; L71-Y92 HydrophobicContact CD2-CE1 3.69Å; H88-Y92 WeakPolarHBondContact O-CE2 3.11Å; H88-Y92 PolarHBondContact O-OH 2.55Å; Y92-L111 PolarHBondContact N-O 3.46Å; Y92-L111 PolarHBondContact O-N 3.43Å; Y92-I113 HydrophobicContact CD2-CB 4.05Å; Y92-I113 HydrophobicContact CD2-CG1 3.48Å; Y92-I113 VanDerWaalsContact CD2-CG1 3.48Å; Y92-I113 HydrophobicContact CE2-CB 3.71Å; Y92-I113 HydrophobicContact CE2-CG1 3.51Å; Y92-I113 HydrophobicContact CG-CG1 4.38Å
93R93.3Very high87Confident86 Ų8657.4 Ų57.433%0.32530%0.299SS..EExtended strand (participates in β ladder)trans-140.1156171.9-64.2-174.5176.5-129.30.9108.8I60 F61 E107 S110I60-R93 WeakPolarHBondContact CA-O 3.42Å; F61-R93 PolarHBondContact N-O 2.86Å; F61-R93 PolarHBondContact O-N 2.84Å; R93-E107 WeakPolarHBondContact CD-OE2 3.36Å; R93-E107 IonicContact CZ-OE2 3.45Å; R93-E107 IonicContact NE-OE2 3.49Å; R93-E107 IonicContact NH1-OE2 2.73Å; R93-E107 PolarHBondContact NH1-OE2 2.71Å; R93-S110 PolarHBondContact NE-OG 3.33Å; R93-S110 VanDerWaalsContact NE-OG 3.17Å; R93-S110 PolarHBondContact NH2-OG 2.82Å
94C91.4Very high86.3Confident0 Ų059.7 Ų59.70%030%0.297CS..EExtended strand (participates in β ladder)trans-132158.3169.967.40000113.3F29 C49 T59 I60 S108F29-C94 VanDerWaalsContact CE2-O 3.29Å; F29-C94 WeakPolarHBondContact CE2-O 3.23Å; F29-C94 WeakPolarHBondContact CZ-O 3.18Å; C49-C94 HydrophobicContact CB-CB 4.29Å; C49-C94 WeakPolarHBondContact CB-SG 3.5Å; C49-C94 WeakPolarHBondContact SG-CB 3.43Å; C49-C94 CovalentContact SG-SG 2.03Å; C49-C94 PolarHBondContact SG-SG 3.03Å; T59-C94 CarbonylContact O-C 3.56Å; T59-C94 WeakPolarHBondContact O-CA 3.34Å; T59-C94 VanDerWaalsContact O-CB 3.32Å; T59-C94 WeakPolarHBondContact O-CB 3.29Å; I60-C94 HydrophobicContact CB-CB 4.45Å; I60-C94 HydrophobicContact CG1-CB 3.88Å; C94-S108 PolarHBondContact N-OG 3.35Å; C94-S108 PolarHBondContact O-N 3.3Å
95V89.8Confident85.8Confident10 Ų1060.4 Ų60.46%0.06130%0.301CS..EExtended strand (participates in β ladder)trans-135.2156177.1-63.10000108.4T59 F61 W104 E107T59-V95 PolarHBondContact N-O 2.94Å; T59-V95 PolarHBondContact O-N 3.03Å; F61-V95 HydrophobicContact CD2-CG2 4.38Å; F61-V95 HydrophobicContact CE2-CG1 4.42Å; F61-V95 HydrophobicContact CE2-CG2 3.55Å; F61-V95 HydrophobicContact CZ-CG2 4.35Å; V95-W104 HydrophobicContact CB-CE3 4.08Å; V95-W104 HydrophobicContact CB-CZ3 4.46Å; V95-W104 HydrophobicContact CG2-CE3 3.51Å; V95-W104 HydrophobicContact CG2-CZ3 3.42Å; V95-W104 VanDerWaalsContact CG2-CZ3 3.42Å; V95-E107 HydrophobicContact CG1-CB 4.44Å; V95-E107 HydrophobicContact CG1-CG 3.84Å
96G88Confident85.4Confident0 Ų060.3 Ų60.30%031%0.305CS..EExtended strand (participates in β ladder)trans-125.4151.8174.800000112I57 S105I57-G96 CarbonylContact O-C 3.58Å; I57-G96 VanDerWaalsContact O-CA 3.27Å; I57-G96 WeakPolarHBondContact O-CA 3.47Å; G96-S105 PolarHBondContact N-OG 3.48Å; G96-S105 PolarHBondContact O-N 2.77Å; G96-S105 PolarHBondContact O-OG 2.7Å
97I84.7Confident85.1Confident32 Ų3263 Ų6316%0.16431%0.313CS..EExtended strand (participates in β ladder)trans-105127.1171.8-56.2178.2000109.4V56 I57 W104V56-I97 PolarHBondContact N-O 2.87Å; I57-I97 HydrophobicContact CB-CB 4.24Å; I57-I97 HydrophobicContact CB-CD1 4.21Å; I57-I97 HydrophobicContact CB-CG1 4.39Å; I57-I97 HydrophobicContact CD1-CD1 4.43Å; I57-I97 HydrophobicContact CG2-CD1 4.35Å; I57-I97 PolarHBondContact O-N 2.83Å; I97-W104 HydrophobicContact CD1-CD2 4.34Å; I97-W104 HydrophobicContact CD1-CE3 4.27Å; I97-W104 HydrophobicContact CD1-CH2 3.75Å; I97-W104 HydrophobicContact CD1-CZ2 3.79Å; I97-W104 HydrophobicContact CD1-CZ3 3.98Å; I97-W104 HydrophobicContact CG1-CD2 3.97Å; I97-W104 HydrophobicContact CG1-CE3 3.77Å; I97-W104 HydrophobicContact CG1-CH2 4.16Å; I97-W104 HydrophobicContact CG1-CZ2 4.32Å; I97-W104 HydrophobicContact CG1-CZ3 3.86Å
98Y80.4Confident85Confident71 Ų7156.8 Ų56.828%0.27828%0.284SS..EExtended strand (participates in β ladder)trans-69.8135.8178.6-66.1-75.1000112.2L53 F55 H100 A101 S102 K103L53-Y98 HydrophobicContact CB-CE1 4.42Å; L53-Y98 HydrophobicContact CD1-CE1 3.98Å; F55-Y98 HydrophobicContact CD1-CD1 4.02Å; F55-Y98 HydrophobicContact CD1-CE1 4.09Å; F55-Y98 HydrophobicContact CD1-CG 4.4Å; F55-Y98 AromaticContact CE1-CD1 3.7Å; F55-Y98 HydrophobicContact CE1-CD1 3.7Å; F55-Y98 HydrophobicContact CE1-CD2 4.33Å; F55-Y98 AromaticContact CE1-CE1 3.32Å; F55-Y98 HydrophobicContact CE1-CE1 3.32Å; F55-Y98 AromaticContact CE1-CE2 3.99Å; F55-Y98 HydrophobicContact CE1-CE2 3.99Å; F55-Y98 HydrophobicContact CE1-CG 4.18Å; F55-Y98 AromaticContact CE1-CZ 3.47Å; F55-Y98 VanDerWaalsContact CE1-CZ 3.47Å; F55-Y98 AromaticContact CZ-CE1 3.87Å; F55-Y98 HydrophobicContact CZ-CE1 3.87Å; F55-Y98 AromaticContact CZ-CZ 3.97Å; Y98-H100 PolarHBondContact O-N 3.31Å; Y98-H100 VanDerWaalsContact O-N 3.1Å; Y98-A101 PolarHBondContact O-N 2.81Å; Y98-S102 PolarHBondContact O-N 2.86Å; Y98-K103 HydrophobicContact CD2-CB 4.23Å; Y98-K103 WeakPolarHBondContact CD2-O 3.39Å; Y98-K103 PolarHBondContact N-O 3.27Å; Y98-K103 VanDerWaalsContact N-O 3.16Å
99K67.7Low84.9Confident145 Ų14558.7 Ų58.763%0.6330%0.296SS*.THydrogen-bonded Turntrans-53.6-33.2179.5-169.5163.7-175.5-1780114.6V56V56-K99 HydrophobicContact CG2-CB 3.25Å; V56-K99 HydrophobicContact CG2-CD 3.93Å; V56-K99 HydrophobicContact CG2-CG 3.47Å; V56-K99 VanDerWaalsContact CG2-CG 3.47Å
100H66.8Low84.8Confident174 Ų17461 Ų6181%0.80631%0.311SS*.THydrogen-bonded Turntrans-113.1-0.7-166.2-60.4-68.4000114.2Y98Y98-H100 PolarHBondContact O-N 3.31Å; Y98-H100 VanDerWaalsContact O-N 3.1Å
101A69.1Low84.8Confident64 Ų6462 Ų6253%0.52932%0.317SS..THydrogen-bonded Turntrans-134.8-5-171.200000114.8Y98 K103Y98-A101 PolarHBondContact O-N 2.81Å; A101-K103 HydrophobicContact CB-CB 4.01Å; A101-K103 PolarHBondContact O-N 3.02Å
102S72Confident84.8Confident110 Ų11066.9 Ų66.977%0.76934%0.336SS*.  trans43.731.4-172.5-59.90000112.9Y98Y98-S102 PolarHBondContact O-N 2.86Å
103K82.1Confident84.8Confident141 Ų14166.9 Ų66.961%0.61334%0.336SS*.  trans-107.3139.1-175.6-174.6179.9178.6-179.20107.9Y98 A101Y98-K103 HydrophobicContact CD2-CB 4.23Å; Y98-K103 WeakPolarHBondContact CD2-O 3.39Å; Y98-K103 PolarHBondContact N-O 3.27Å; Y98-K103 VanDerWaalsContact N-O 3.16Å; A101-K103 HydrophobicContact CB-CB 4.01Å; A101-K103 PolarHBondContact O-N 3.02Å
104W82.9Confident84.9Confident134 Ų13463.9 Ų63.951%0.50833%0.326SS..BIsolated β-bridgetrans-74.7143.3173.3-63.488.4000110.6V95 I97V95-W104 HydrophobicContact CB-CE3 4.08Å; V95-W104 HydrophobicContact CB-CZ3 4.46Å; V95-W104 HydrophobicContact CG2-CE3 3.51Å; V95-W104 HydrophobicContact CG2-CZ3 3.42Å; V95-W104 VanDerWaalsContact CG2-CZ3 3.42Å; I97-W104 HydrophobicContact CD1-CD2 4.34Å; I97-W104 HydrophobicContact CD1-CE3 4.27Å; I97-W104 HydrophobicContact CD1-CH2 3.75Å; I97-W104 HydrophobicContact CD1-CZ2 3.79Å; I97-W104 HydrophobicContact CD1-CZ3 3.98Å; I97-W104 HydrophobicContact CG1-CD2 3.97Å; I97-W104 HydrophobicContact CG1-CE3 3.77Å; I97-W104 HydrophobicContact CG1-CH2 4.16Å; I97-W104 HydrophobicContact CG1-CZ2 4.32Å; I97-W104 HydrophobicContact CG1-CZ3 3.86Å
105S85.4Confident85.1Confident15 Ų1563.9 Ų63.911%0.10533%0.326CS..  trans-66.5171.6165.567.70000110.8F29 G96F29-S105 WeakPolarHBondContact CZ-OG 3.22Å; G96-S105 PolarHBondContact N-OG 3.48Å; G96-S105 PolarHBondContact O-N 2.77Å; G96-S105 PolarHBondContact O-OG 2.7Å
106A86.3Confident85.3Confident38 Ų3864.1 Ų64.131%0.31433%0.328SS..  trans-59.8174.6157.100000110.3F29F29-A106 WeakPolarHBondContact CE1-O 3.45Å; F29-A106 WeakPolarHBondContact CZ-O 3.33Å
107E87.6Confident85.7Confident111 Ų11165.9 Ų65.952%0.51935%0.346SS..  trans-83.2151171.1-65.9-179.2179.200111.7F29 R93 V95F29-E107 VanDerWaalsContact CZ-C 3.49Å; R93-E107 WeakPolarHBondContact CD-OE2 3.36Å; R93-E107 IonicContact CZ-OE2 3.45Å; R93-E107 IonicContact NE-OE2 3.49Å; R93-E107 IonicContact NH1-OE2 2.73Å; R93-E107 PolarHBondContact NH1-OE2 2.71Å; V95-E107 HydrophobicContact CG1-CB 4.44Å; V95-E107 HydrophobicContact CG1-CG 3.84Å
108S90.6Very high86.2Confident5 Ų566.5 Ų66.54%0.03535%0.349CS..  trans-66.2176.7171.171.70000112.2F29 C94F29-S108 VanDerWaalsContact CZ-N 3.27Å; C94-S108 PolarHBondContact N-OG 3.35Å; C94-S108 PolarHBondContact O-N 3.3Å
109N91.1Very high86.9Confident71 Ų7165.8 Ų65.838%0.3835%0.348SS..  trans-56.8148.8161.165.2-81.3000111.2S30 L31S30-N109 WeakPolarHBondContact CA-OD1 3.2Å; S30-N109 VanDerWaalsContact CB-OD1 3.32Å; S30-N109 WeakPolarHBondContact CB-OD1 2.96Å; L31-N109 PolarHBondContact N-OD1 2.93Å; L31-N109 PolarHBondContact O-ND2 2.75Å
110S91.4Very high88.1Confident54 Ų5463.4 Ų63.438%0.37835%0.346SS..  trans-66.2132.3166.3-63.10000110.4R93R93-S110 PolarHBondContact NE-OG 3.33Å; R93-S110 VanDerWaalsContact NE-OG 3.17Å; R93-S110 PolarHBondContact NH2-OG 2.82Å
111L93.2Very high89.5Confident23 Ų2359.8 Ų59.812%0.1233%0.328CS..EExtended strand (participates in β ladder)trans-118.8120.7171.7178.264.7000109.5L31 S32 A33 P37 L47 T91 Y92 I113L31-L111 HydrophobicContact CD2-CB 3.89Å; L31-L111 HydrophobicContact CD2-CD2 4.25Å; L31-L111 HydrophobicContact CG-CB 4.03Å; L31-L111 HydrophobicContact CG-CD2 3.8Å; S32-L111 VanDerWaalsContact C-CD2 3.46Å; A33-L111 HydrophobicContact CB-CD2 3.87Å; P37-L111 HydrophobicContact CB-CD1 4.28Å; L47-L111 HydrophobicContact CD2-CD2 4.02Å; T91-L111 CarbonylContact C-O 3.53Å; T91-L111 WeakPolarHBondContact CA-O 3.44Å; Y92-L111 PolarHBondContact N-O 3.46Å; Y92-L111 PolarHBondContact O-N 3.43Å; L111-I113 HydrophobicContact CD2-CD1 4.21Å; L111-I113 HydrophobicContact CG-CD1 4.23Å
112K93.4Very high90.7Very high121 Ų12156.9 Ų56.953%0.52630%0.303SS..EExtended strand (participates in β ladder)trans-90.3122.9178.2-65.1171.7173.5-178.50109.3P37 G90 Y204P37-K112 WeakPolarHBondContact CB-O 2.9Å; G90-K112 CarbonylContact O-C 3.5Å; G90-K112 WeakPolarHBondContact O-CA 3.48Å; K112-Y204 HydrophobicContact CB-CD1 4.34Å; K112-Y204 HydrophobicContact CB-CE1 4.01Å; K112-Y204 HydrophobicContact CD-CE1 3.89Å; K112-Y204 HydrophobicContact CG-CE1 3.77Å
113I94.6Very high91.8Very high0 Ų054.7 Ų54.70%029%0.288CS..EExtended strand (participates in β ladder)trans-99.5125.2170.3-58.5-59.4000108.3A33 P37 V39 L47 G90 Y92 L111A33-I113 HydrophobicContact CB-CD1 3.83Å; P37-I113 HydrophobicContact CB-CD1 4.14Å; P37-I113 WeakPolarHBondContact O-CA 3.22Å; V39-I113 HydrophobicContact CG2-CG2 4.47Å; L47-I113 HydrophobicContact CD2-CD1 3.67Å; L47-I113 HydrophobicContact CD2-CG1 4.14Å; G90-I113 PolarHBondContact N-O 2.83Å; G90-I113 VanDerWaalsContact N-O 3.08Å; G90-I113 PolarHBondContact O-N 2.86Å; Y92-I113 HydrophobicContact CD2-CB 4.05Å; Y92-I113 HydrophobicContact CD2-CG1 3.48Å; Y92-I113 VanDerWaalsContact CD2-CG1 3.48Å; Y92-I113 HydrophobicContact CE2-CB 3.71Å; Y92-I113 HydrophobicContact CE2-CG1 3.51Å; Y92-I113 HydrophobicContact CG-CG1 4.38Å; L111-I113 HydrophobicContact CD2-CD1 4.21Å; L111-I113 HydrophobicContact CG-CD1 4.23Å
114I93.8Very high92.4Very high23 Ų2349.3 Ų49.312%0.11827%0.266CS..EExtended strand (participates in β ladder)trans-112.1128.3-177.6-66.1153.5000107.8P37 V38 V39 T116 Y204 W206P37-I114 PolarHBondContact O-N 3.48Å; V38-I114 HydrophobicContact CG1-CB 4.46Å; V38-I114 HydrophobicContact CG1-CG2 4.21Å; V38-I114 HydrophobicContact CG2-CB 4.27Å; V38-I114 HydrophobicContact CG2-CD1 3.96Å; V39-I114 PolarHBondContact N-O 2.89Å; I114-T116 HydrophobicContact CG2-CG2 4.29Å; I114-Y204 CarbonylContact C-O 3.6Å; I114-Y204 WeakPolarHBondContact CA-O 3.24Å; I114-W206 HydrophobicContact CD1-CH2 3.82Å; I114-W206 HydrophobicContact CD1-CZ2 3.6Å; I114-W206 HydrophobicContact CG1-CZ2 4.2Å; I114-W206 HydrophobicContact CG2-CB 4.26Å; I114-W206 HydrophobicContact CG2-CD2 3.32Å; I114-W206 VanDerWaalsContact CG2-CE2 3.48Å; I114-W206 HydrophobicContact CG2-CE3 3.72Å; I114-W206 HydrophobicContact CG2-CG 3.58Å; I114-W206 HydrophobicContact CG2-CH2 4.32Å; I114-W206 HydrophobicContact CG2-CZ2 4Å; I114-W206 HydrophobicContact CG2-CZ3 4.2Å
115V95.8Very high92.8Very high0 Ų045.1 Ų45.10%026%0.256CS..EExtended strand (participates in β ladder)trans-102.6120.8177.3-176.10000108.9V39 L41 V84 A89 L118 Y204 W206V39-V115 CarbonylContact O-C 3.59Å; V39-V115 VanDerWaalsContact O-CA 3.31Å; V39-V115 WeakPolarHBondContact O-CA 3.43Å; L41-V115 HydrophobicContact CD1-CG1 4.44Å; V84-V115 HydrophobicContact CG1-CB 4.49Å; V84-V115 HydrophobicContact CG1-CG1 4.05Å; V84-V115 HydrophobicContact CG1-CG2 3.67Å; A89-V115 HydrophobicContact CB-CB 4.29Å; A89-V115 HydrophobicContact CB-CG2 3.76Å; V115-L118 HydrophobicContact CB-CD1 4.26Å; V115-L118 HydrophobicContact CG1-CD1 4.13Å; V115-L118 HydrophobicContact CG1-CD2 4.27Å; V115-L118 HydrophobicContact CG1-CG 4.25Å; V115-Y204 PolarHBondContact N-O 3.19Å; V115-W206 PolarHBondContact O-N 2.87Å
116T95.6Very high93Very high15 Ų1545.4 Ų45.49%0.09226%0.26CS..EExtended strand (participates in β ladder)trans-104.1160.3-179.562.10000111.9V38 V39 P40 L41 I114 W206V38-T116 HydrophobicContact CG1-CG2 3.44Å; V38-T116 VanDerWaalsContact CG1-CG2 3.44Å; V39-T116 PolarHBondContact O-N 2.85Å; P40-T116 WeakPolarHBondContact CA-OG1 3.39Å; L41-T116 PolarHBondContact N-O 2.93Å; I114-T116 HydrophobicContact CG2-CG2 4.29Å; T116-W206 HydrophobicContact CG2-CB 4.07Å; T116-W206 HydrophobicContact CG2-CE3 4.16Å
117G94.9Very high93.1Very high37 Ų3748.1 Ų48.138%0.38127%0.266SS..EExtended strand (participates in β ladder)trans87.416.2177.900000114.9W206 S207G117-W206 PolarHBondContact N-O 3.25Å; G117-S207 PolarHBondContact N-O 3.31Å
118L95.3Very high93.1Very high44 Ų4447.7 Ų47.723%0.2327%0.272CS..EExtended strand (participates in β ladder)trans-84.2-28.8179.5-62177.4000113L41 P86 V115 E205 W206L41-L118 HydrophobicContact CB-CD2 4.42Å; L41-L118 HydrophobicContact CD1-CD2 3.87Å; L41-L118 HydrophobicContact CD2-CD2 4.14Å; L41-L118 HydrophobicContact CG-CD2 4.36Å; P86-L118 HydrophobicContact CB-CD1 4.22Å; P86-L118 HydrophobicContact CB-CD2 4.36Å; P86-L118 HydrophobicContact CG-CD1 4.45Å; P86-L118 HydrophobicContact CG-CD2 3.71Å; V115-L118 HydrophobicContact CB-CD1 4.26Å; V115-L118 HydrophobicContact CG1-CD1 4.13Å; V115-L118 HydrophobicContact CG1-CD2 4.27Å; V115-L118 HydrophobicContact CG1-CG 4.25Å; L118-E205 HydrophobicContact CD1-CB 3.49Å; L118-E205 VanDerWaalsContact CD1-CB 3.49Å; L118-E205 HydrophobicContact CD1-CG 3.59Å; L118-W206 PolarHBondContact N-O 2.87Å
119F94.8Very high92.6Very high56 Ų5649.9 Ų49.925%0.24629%0.288CS..EExtended strand (participates in β ladder)trans-123.1163.4179.1-48.9-71.2000111.3L146 F148 F199 E205 A208F119-L146 HydrophobicContact CB-CD1 3.97Å; F119-F148 HydrophobicContact CB-CE1 3.98Å; F119-F148 HydrophobicContact CB-CZ 3.75Å; F119-F148 AromaticContact CD2-CE1 4Å; F119-F148 HydrophobicContact CD2-CE1 4Å; F119-F148 HydrophobicContact CG-CE1 4.03Å; F119-F148 HydrophobicContact CG-CZ 4.32Å; F119-F199 HydrophobicContact CD1-CE2 4.22Å; F119-F199 HydrophobicContact CE1-CD2 4.41Å; F119-F199 AromaticContact CE1-CE2 3.96Å; F119-F199 HydrophobicContact CE1-CE2 3.96Å; F119-F199 HydrophobicContact CE2-CD2 4.19Å; F119-F199 HydrophobicContact CE2-CE2 4.29Å; F119-F199 HydrophobicContact CG-CE2 4.5Å; F119-F199 HydrophobicContact CZ-CD2 4.01Å; F119-F199 HydrophobicContact CZ-CE2 4.01Å; F119-E205 HydrophobicContact CE2-CB 4.34Å; F119-A208 PolarHBondContact O-N 2.72Å
120T94.3Very high91.9Very high96 Ų9648.9 Ų48.959%0.58929%0.287SS*.PPolyproline II helixtrans-59.2142.8176.549.60000111.1L146 S207T120-L146 WeakPolarHBondContact OG1-CD1 3.22Å; T120-S207 WeakPolarHBondContact O-CB 3.41Å
121K95.3Very high91.3Very high98 Ų9849.5 Ų49.543%0.42629%0.285SS..PPolyproline II helixtrans-67.9139.7-177.169.3-177.9-169.5177.90111.1A208 P209 D211K121-A208 WeakPolarHBondContact CA-O 3.41Å; K121-A208 HydrophobicContact CB-CB 3.84Å; K121-A208 WeakPolarHBondContact CB-O 3.44Å; K121-P209 WeakPolarHBondContact CB-O 3.35Å; K121-D211 IonicContact NZ-OD1 3.06Å; K121-D211 PolarHBondContact NZ-OD1 2.87Å; K121-D211 IonicContact NZ-OD2 2.7Å; K121-D211 PolarHBondContact NZ-OD2 3.1Å
122P95.2Very high90.5Very high2 Ų248.8 Ų48.81%0.01328%0.282CS..PPolyproline II helixtrans-75.1169.4169.433.5-35.5000111H143 F151 S207 A208 S210P122-H143 WeakPolarHBondContact CA-O 3.33Å; P122-H143 WeakPolarHBondContact CB-O 3.28Å; P122-F151 HydrophobicContact CB-CE1 3.92Å; P122-F151 HydrophobicContact CG-CE1 4.48Å; P122-S207 WeakPolarHBondContact CD-OG 3.45Å; P122-A208 WeakPolarHBondContact CD-O 3.47Å; P122-S210 WeakPolarHBondContact O-CA 3.49Å; P122-S210 WeakPolarHBondContact O-CB 3.37Å
123S95Very high89.6Confident65 Ų6548.2 Ų48.246%0.45528%0.281SS..EExtended strand (participates in β ladder)trans-101.3145.8172.7-68.20000110.6C142 H143S123-C142 CarbonylContact O-C 3.52Å; S123-C142 VanDerWaalsContact O-CA 3.3Å; S123-C142 WeakPolarHBondContact O-CA 3.43Å; S123-H143 WeakPolarHBondContact CB-NE2 3.46Å; S123-H143 PolarHBondContact N-O 3.05Å; S123-H143 PolarHBondContact O-N 3.37Å
124I94.5Very high88.9Confident28 Ų2849.5 Ų49.514%0.14429%0.291CS..EExtended strand (participates in β ladder)trans-124.7142.3-179.8-168.3174.6000111R141 L153 C195 S210 D211 L213I124-R141 CarbonylContact C-O 3.56Å; I124-R141 VanDerWaalsContact CA-O 3.3Å; I124-R141 WeakPolarHBondContact CA-O 3.37Å; I124-L153 HydrophobicContact CD1-CD1 3.64Å; I124-C195 HydrophobicContact CD1-CB 4.32Å; I124-S210 WeakPolarHBondContact CG2-OG 3.35Å; I124-D211 WeakPolarHBondContact CG2-O 3.18Å; I124-L213 HydrophobicContact CD1-CB 4.17Å; I124-L213 HydrophobicContact CD1-CD2 4.17Å; I124-L213 HydrophobicContact CG1-CB 4.32Å; I124-L213 HydrophobicContact CG1-CD2 3.84Å; I124-L213 HydrophobicContact CG2-CB 3.85Å
125S91.4Very high88.3Confident45 Ų4550.9 Ų50.932%0.31531%0.312SS..EExtended strand (participates in β ladder)trans-147.2163.8177.166.50000112.2L140 R141S125-L140 CarbonylContact O-C 3.55Å; S125-L140 WeakPolarHBondContact O-CA 3.39Å; S125-R141 PolarHBondContact N-O 2.96Å; S125-R141 PolarHBondContact O-N 3.18Å
126A90.1Very high87.7Confident21 Ų2152.8 Ų52.817%0.17433%0.327CS..EExtended strand (participates in β ladder)trans-115.8136.9175.100000110.9V138 S139 L140 L213 I215A126-V138 HydrophobicContact CB-CG2 4.16Å; A126-S139 CarbonylContact C-O 3.49Å; A126-S139 WeakPolarHBondContact CA-O 3.47Å; A126-L140 HydrophobicContact CB-CD2 3.8Å; A126-L213 HydrophobicContact CB-CD2 3.98Å; A126-I215 HydrophobicContact CB-CD1 3.99Å
127H87Confident87.4Confident96 Ų9659 Ų5944%0.44435%0.349SS..EExtended strand (participates in β ladder)trans-125130.9175.2-17578.9000110.7V138 S139H127-V138 WeakPolarHBondContact O-CG2 3.01Å; H127-S139 PolarHBondContact N-O 2.93Å; H127-S139 PolarHBondContact O-N 2.98Å
128P87.2Confident87.1Confident101 Ų10157.3 Ų57.366%0.65633%0.331SS*.SBendcis-77.2-23.22.530.6-35.4000114.2
129S81.1Confident86.9Confident52 Ų5256.5 Ų56.536%0.36433%0.329SS..  trans-158.7164.9174.185.10000111.3L131 V138S129-L131 VanDerWaalsContact C-N 3.28Å; S129-L131 PolarHBondContact OG-N 2.88Å; S129-L131 PolarHBondContact OG-O 2.83Å; S129-V138 WeakPolarHBondContact O-CG2 3.3Å
130S76.9Confident86.8Confident50 Ų5053.9 Ų53.935%0.3532%0.317SS..SBendtrans-76.8-11.6173.654.80000114.1D214 V216S130-D214 WeakPolarHBondContact CB-O 3.37Å; S130-V216 PolarHBondContact O-N 2.81Å
131L77.8Confident86.8Confident66 Ų6653 Ų5335%0.34630%0.303SS..EExtended strand (participates in β ladder)trans-96.8103.6174.2-173.969.3000109.3S129 V216 T218S129-L131 VanDerWaalsContact C-N 3.28Å; S129-L131 PolarHBondContact OG-N 2.88Å; S129-L131 PolarHBondContact OG-O 2.83Å; L131-V216 HydrophobicContact CD1-CB 3.88Å; L131-V216 HydrophobicContact CD1-CG1 3.74Å; L131-T218 HydrophobicContact CD1-CG2 3.42Å; L131-T218 VanDerWaalsContact CD1-CG2 3.42Å; L131-T218 HydrophobicContact CG-CG2 4.04Å
132V76.9Confident86.6Confident8 Ų848.3 Ų48.35%0.04828%0.283CS..EExtended strand (participates in β ladder)trans-118134.4-167.9-163.40000110.4A136 V138 V185 I215 V216 I217 T218V132-A136 HydrophobicContact CG1-CB 3.99Å; V132-V138 HydrophobicContact CG1-CB 4.14Å; V132-V138 HydrophobicContact CG2-CB 3.74Å; V132-V138 HydrophobicContact CG2-CG1 4.06Å; V132-V138 HydrophobicContact CG2-CG2 3.81Å; V132-V185 HydrophobicContact CB-CG2 4.13Å; V132-V185 HydrophobicContact CG1-CG1 4.31Å; V132-V185 HydrophobicContact CG1-CG2 3.54Å; V132-I215 HydrophobicContact CG2-CG2 4.33Å; V132-V216 PolarHBondContact N-O 2.96Å; V132-I217 HydrophobicContact CB-CD1 3.96Å; V132-I217 CarbonylContact O-C 3.57Å; V132-I217 VanDerWaalsContact O-CA 3.28Å; V132-I217 WeakPolarHBondContact O-CA 3.37Å; V132-T218 PolarHBondContact O-N 2.96Å; V132-T218 PolarHBondContact O-OG1 2.81Å
133H74.9Confident86.4Confident110 Ų11051.4 Ų51.451%0.50930%0.297SS..EExtended strand (participates in β ladder)trans-75.9141.2174.1-166.6-80.8000110.4G135 A136 V185 T218 G219H133-G135 PolarHBondContact O-N 3.38Å; H133-A136 HydrophobicContact CB-CB 4.46Å; H133-A136 WeakPolarHBondContact O-CB 3.43Å; H133-A136 PolarHBondContact O-N 2.67Å; H133-V185 WeakPolarHBondContact O-CG2 3.34Å; H133-T218 CarbonylContact C-O 3.56Å; H133-G219 WeakPolarHBondContact NE2-CA 3.14Å
134A79.8Confident86.2Confident26 Ų2648.7 Ų48.722%0.21528%0.278CS..THydrogen-bonded Turntrans-53.5134.3173.500000110.5A136 I217 T218A134-A136 VanDerWaalsContact C-N 3.3Å; A134-A136 PolarHBondContact O-N 2.97Å; A134-I217 HydrophobicContact CB-CG2 4.14Å; A134-T218 WeakPolarHBondContact CB-O 3.31Å; A134-T218 PolarHBondContact N-O 2.84Å
135G79.9Confident86Confident53 Ų5355.9 Ų55.955%0.54631%0.311SS..THydrogen-bonded Turntrans84.6-12-174.400000115.2H133 V185H133-G135 PolarHBondContact O-N 3.38Å; G135-V185 PolarHBondContact N-O 2.03Å
136A84.8Confident85.8Confident39 Ų3956.7 Ų56.732%0.32231%0.312SS..  trans-80.2174.3175.500000112.2V132 H133 A134 P184 V185V132-A136 HydrophobicContact CG1-CB 3.99Å; H133-A136 HydrophobicContact CB-CB 4.46Å; H133-A136 WeakPolarHBondContact O-CB 3.43Å; H133-A136 PolarHBondContact O-N 2.67Å; A134-A136 VanDerWaalsContact C-N 3.3Å; A134-A136 PolarHBondContact O-N 2.97Å; A136-P184 CarbonylContact O-C 3.52Å; A136-P184 WeakPolarHBondContact O-CA 3.38Å; A136-V185 WeakPolarHBondContact O-CG2 3.31Å; A136-V185 PolarHBondContact O-N 2.89Å
137R89.3Confident85.7Confident146 Ų14658.7 Ų58.755%0.55133%0.328SS*.  trans-110.6145.8173.7-61.4178.366.975.71.2109.7M182 G183R137-M182 WeakPolarHBondContact CA-O 3.38Å; R137-G183 PolarHBondContact NH1-O 3.05Å
138V88.1Confident85.8Confident2 Ų254.1 Ų54.11%0.01231%0.307CS..EExtended strand (participates in β ladder)trans-134.5146.6173.165.70000108.6A126 H127 S129 V132 L140 M182 V185A126-V138 HydrophobicContact CB-CG2 4.16Å; H127-V138 WeakPolarHBondContact O-CG2 3.01Å; S129-V138 WeakPolarHBondContact O-CG2 3.3Å; V132-V138 HydrophobicContact CG1-CB 4.14Å; V132-V138 HydrophobicContact CG2-CB 3.74Å; V132-V138 HydrophobicContact CG2-CG1 4.06Å; V132-V138 HydrophobicContact CG2-CG2 3.81Å; V138-L140 HydrophobicContact CG2-CD2 4.41Å; V138-M182 HydrophobicContact CG1-CB 3.92Å; V138-M182 HydrophobicContact CG1-CG 4.41Å; V138-M182 HydrophobicContact CG1-SD 4.19Å; V138-M182 PolarHBondContact N-O 2.78Å; V138-M182 WeakPolarHBondContact O-CA 3.43Å; V138-M182 PolarHBondContact O-N 3.27Å; V138-M182 VanDerWaalsContact O-O 3.05Å; V138-V185 HydrophobicContact CG1-CG1 3.94Å
139S91.5Very high85.7Confident27 Ų2752.9 Ų52.919%0.18930%0.295CS..EExtended strand (participates in β ladder)trans-111.9127.8173.1-57.20000109.4A126 H127 F180A126-S139 CarbonylContact C-O 3.49Å; A126-S139 WeakPolarHBondContact CA-O 3.47Å; H127-S139 PolarHBondContact N-O 2.93Å; H127-S139 PolarHBondContact O-N 2.98Å; S139-F180 CarbonylContact C-O 3.24Å; S139-F180 WeakPolarHBondContact CA-O 3.28Å
140L92.8Very high86Confident0 Ų051.9 Ų51.90%029%0.285CS..EExtended strand (participates in β ladder)trans-95.4124.9171.5-54.5-172.4000108.3S125 A126 V138 L153 F180 M182 Y193 L213 I215S125-L140 CarbonylContact O-C 3.55Å; S125-L140 WeakPolarHBondContact O-CA 3.39Å; A126-L140 HydrophobicContact CB-CD2 3.8Å; V138-L140 HydrophobicContact CG2-CD2 4.41Å; L140-L153 HydrophobicContact CB-CD2 4.21Å; L140-L153 HydrophobicContact CD1-CD1 4.14Å; L140-L153 HydrophobicContact CD1-CD2 3.81Å; L140-L153 HydrophobicContact CG-CD2 4.49Å; L140-F180 HydrophobicContact CB-CB 4.38Å; L140-F180 PolarHBondContact N-O 2.81Å; L140-F180 WeakPolarHBondContact O-CD2 3.46Å; L140-F180 PolarHBondContact O-N 2.86Å; L140-M182 HydrophobicContact CD1-CE 3.59Å; L140-M182 HydrophobicContact CG-CE 4.25Å; L140-Y193 HydrophobicContact CD1-CD1 3.82Å; L140-Y193 HydrophobicContact CD1-CD2 4.28Å; L140-Y193 HydrophobicContact CD1-CE1 4.35Å; L140-Y193 HydrophobicContact CD1-CG 3.79Å; L140-L213 HydrophobicContact CD2-CD2 3.96Å; L140-I215 HydrophobicContact CD1-CG1 4.45Å; L140-I215 HydrophobicContact CD2-CD1 3.54Å; L140-I215 HydrophobicContact CD2-CG1 4.12Å
141R92.4Very high86.7Confident78 Ų7850.1 Ų50.129%0.29427%0.271SS..EExtended strand (participates in β ladder)trans-110.2126-178-53.5-171.4-176.4-168.9-0.6109.7I124 S125 E177 A178 V179I124-R141 CarbonylContact C-O 3.56Å; I124-R141 VanDerWaalsContact CA-O 3.3Å; I124-R141 WeakPolarHBondContact CA-O 3.37Å; S125-R141 PolarHBondContact N-O 2.96Å; S125-R141 PolarHBondContact O-N 3.18Å; R141-E177 HydrophobicContact CB-CG 4.31Å; R141-E177 VanDerWaalsContact CB-OE1 3.24Å; R141-E177 WeakPolarHBondContact CB-OE1 3.19Å; R141-E177 VanDerWaalsContact CD-OE1 3.24Å; R141-E177 WeakPolarHBondContact CD-OE1 3.36Å; R141-E177 IonicContact NH1-OE2 2.71Å; R141-A178 WeakPolarHBondContact CA-O 3.21Å; R141-V179 HydrophobicContact CG-CG1 4.33Å; R141-V179 HydrophobicContact CG-CG2 4.17Å
142C92.1Very high87.3Confident0 Ų047.3 Ų47.30%026%0.256CS..EExtended strand (participates in β ladder)trans-113.5126.6173.8-172.30000108.5S123 F151 E177 A178 F180 C195S123-C142 CarbonylContact O-C 3.52Å; S123-C142 VanDerWaalsContact O-CA 3.3Å; S123-C142 WeakPolarHBondContact O-CA 3.43Å; C142-F151 HydrophobicContact CB-CD1 4.03Å; C142-F151 HydrophobicContact CB-CE1 4.49Å; C142-F151 HydrophobicContact CB-CG 4.44Å; C142-F151 WeakPolarHBondContact SG-CD1 3.27Å; C142-E177 CarbonylContact O-C 3.57Å; C142-E177 VanDerWaalsContact O-CA 3.31Å; C142-E177 WeakPolarHBondContact O-CA 3.49Å; C142-A178 PolarHBondContact N-O 2.97Å; C142-A178 PolarHBondContact O-N 2.83Å; C142-F180 HydrophobicContact CB-CE2 4.02Å; C142-C195 HydrophobicContact CB-CB 3.65Å; C142-C195 WeakPolarHBondContact CB-SG 3.3Å; C142-C195 WeakPolarHBondContact SG-CB 3.47Å; C142-C195 CovalentContact SG-SG 2.03Å; C142-C195 PolarHBondContact SG-SG 3.47Å
143H91.1Very high88.1Confident66 Ų6647.4 Ų47.431%0.30626%0.256SS..EExtended strand (participates in β ladder)trans-136.5156.3179.863.9-93.3000112.3P122 S123 V176 E177P122-H143 WeakPolarHBondContact CA-O 3.33Å; P122-H143 WeakPolarHBondContact CB-O 3.28Å; S123-H143 WeakPolarHBondContact CB-NE2 3.46Å; S123-H143 PolarHBondContact N-O 3.05Å; S123-H143 PolarHBondContact O-N 3.37Å; H143-V176 CarbonylContact C-O 3.5Å; H143-V176 WeakPolarHBondContact CA-O 3.34Å; H143-V176 VanDerWaalsContact CB-O 3.31Å; H143-V176 WeakPolarHBondContact CB-O 3.45Å; H143-E177 HydrophobicContact CB-CB 3.89Å; H143-E177 HydrophobicContact CB-CG 4.05Å
144S91.2Very high88.6Confident8 Ų844.4 Ų44.46%0.05624%0.241CC..EExtended strand (participates in β ladder)trans-149.2148.6-178.3-1740000110.4L146 F148 Y175 V176S144-L146 VanDerWaalsContact C-N 3.27Å; S144-L146 WeakPolarHBondContact CB-O 3.42Å; S144-L146 WeakPolarHBondContact OG-CB 3.44Å; S144-L146 PolarHBondContact OG-N 3.03Å; S144-L146 VanDerWaalsContact OG-N 3.07Å; S144-L146 PolarHBondContact OG-O 2.85Å; S144-F148 WeakPolarHBondContact OG-CE2 3.36Å; S144-Y175 WeakPolarHBondContact O-CA 3.34Å; S144-V176 PolarHBondContact N-O 2.91Å; S144-V176 PolarHBondContact O-N 2.8Å
145E89.6Confident88.9Confident179 Ų17945.3 Ų45.384%0.83624%0.24SC*.SBendtrans-71.8-27.5166.4-63.7-179.6178.200111.1A147E145-A147 PolarHBondContact O-N 2.89Å
146L88.1Confident88.8Confident62 Ų6247.7 Ų47.733%0.32524%0.237SC..SBendtrans-73.6125.7169-65.2-179.8000109.3F119 T120 S144 F148 V176F119-L146 HydrophobicContact CB-CD1 3.97Å; T120-L146 WeakPolarHBondContact OG1-CD1 3.22Å; S144-L146 VanDerWaalsContact C-N 3.27Å; S144-L146 WeakPolarHBondContact CB-O 3.42Å; S144-L146 WeakPolarHBondContact OG-CB 3.44Å; S144-L146 PolarHBondContact OG-N 3.03Å; S144-L146 VanDerWaalsContact OG-N 3.07Å; S144-L146 PolarHBondContact OG-O 2.85Å; L146-F148 HydrophobicContact CB-CD2 4.2Å; L146-F148 HydrophobicContact CB-CE1 4.3Å; L146-F148 HydrophobicContact CB-CE2 3.87Å; L146-F148 HydrophobicContact CB-CZ 3.92Å; L146-F148 HydrophobicContact CD1-CE1 4.2Å; L146-F148 HydrophobicContact CD1-CE2 4.26Å; L146-F148 HydrophobicContact CD1-CZ 3.65Å; L146-F148 HydrophobicContact CG-CZ 4.43Å; L146-F148 PolarHBondContact O-N 3.03Å; L146-V176 WeakPolarHBondContact O-CG2 3.46Å
147A87.4Confident87.8Confident64 Ų6449.3 Ų49.353%0.52926%0.257SS..  trans-7161.6178.200000112.4E145 V176 F199E145-A147 PolarHBondContact O-N 2.89Å; A147-V176 HydrophobicContact CB-CG1 4.15Å; A147-F199 VanDerWaalsContact O-CE1 3.29Å; A147-F199 WeakPolarHBondContact O-CE1 3.14Å
148F88.1Confident86.2Confident0 Ų047.8 Ų47.80%026%0.256CS..  trans-59.6138.6172.9-66.2-57.4000110.5F119 S144 L146 F151 M169 F199F119-F148 HydrophobicContact CB-CE1 3.98Å; F119-F148 HydrophobicContact CB-CZ 3.75Å; F119-F148 AromaticContact CD2-CE1 4Å; F119-F148 HydrophobicContact CD2-CE1 4Å; F119-F148 HydrophobicContact CG-CE1 4.03Å; F119-F148 HydrophobicContact CG-CZ 4.32Å; S144-F148 WeakPolarHBondContact OG-CE2 3.36Å; L146-F148 HydrophobicContact CB-CD2 4.2Å; L146-F148 HydrophobicContact CB-CE1 4.3Å; L146-F148 HydrophobicContact CB-CE2 3.87Å; L146-F148 HydrophobicContact CB-CZ 3.92Å; L146-F148 HydrophobicContact CD1-CE1 4.2Å; L146-F148 HydrophobicContact CD1-CE2 4.26Å; L146-F148 HydrophobicContact CD1-CZ 3.65Å; L146-F148 HydrophobicContact CG-CZ 4.43Å; L146-F148 PolarHBondContact O-N 3.03Å; F148-F151 HydrophobicContact CB-CE2 4.24Å; F148-F151 HydrophobicContact CB-CZ 4.18Å; F148-F151 AromaticContact CD2-CE1 3.93Å; F148-F151 HydrophobicContact CD2-CE1 3.93Å; F148-F151 HydrophobicContact CD2-CZ 4.01Å; F148-M169 WeakPolarHBondContact O-CE 3.48Å; F148-F199 HydrophobicContact CD1-CD1 4.43Å; F148-F199 HydrophobicContact CD1-CD2 4.22Å; F148-F199 HydrophobicContact CD1-CE1 4.13Å; F148-F199 AromaticContact CD1-CE2 3.9Å; F148-F199 HydrophobicContact CD1-CE2 3.9Å; F148-F199 HydrophobicContact CD1-CG 4.48Å; F148-F199 AromaticContact CD1-CZ 3.85Å; F148-F199 HydrophobicContact CD1-CZ 3.85Å; F148-F199 HydrophobicContact CE1-CD2 4.37Å; F148-F199 AromaticContact CE1-CE2 3.8Å; F148-F199 HydrophobicContact CE1-CE2 3.8Å; F148-F199 AromaticContact CE1-CZ 4Å; F148-F199 HydrophobicContact CE1-CZ 4Å
149D86.4Confident84.3Confident74 Ų7452 Ų5240%0.39628%0.278SS..SBendtrans-76.8-29.9176.3-63-45.5000111.3C198 S200D149-C198 PolarHBondContact N-O 3.13Å; D149-C198 VanDerWaalsContact N-O 3.16Å; D149-S200 VanDerWaalsContact OD2-CB 3.25Å; D149-S200 WeakPolarHBondContact OD2-CB 3.06Å; D149-S200 PolarHBondContact OD2-N 2.9Å; D149-S200 PolarHBondContact OD2-OG 2.84Å
150E87.7Confident81.9Confident31 Ų3159 Ų5915%0.14531%0.307CS..EExtended strand (participates in β ladder)trans-137.9138.9-174.3-171.4175.5166.700110.8I152 Q164 G197 C198E150-I152 HydrophobicContact CG-CD1 4.46Å; E150-Q164 HydrophobicContact CG-CG 4.43Å; E150-Q164 VanDerWaalsContact OE1-CG 3.26Å; E150-Q164 WeakPolarHBondContact OE1-CG 3.13Å; E150-Q164 PolarHBondContact OE1-NE2 2.8Å; E150-Q164 PolarHBondContact OE1-OE1 2.81Å; E150-Q164 PolarHBondContact OE2-NE2 3.19Å; E150-Q164 VanDerWaalsContact OE2-NE2 3.13Å; E150-G197 WeakPolarHBondContact O-CA 2.98Å; E150-C198 PolarHBondContact N-O 3.33Å; E150-C198 VanDerWaalsContact N-O 3.12Å; E150-C198 PolarHBondContact O-N 3.47Å
151F90.9Very high79.3Confident13 Ų1366.3 Ų66.36%0.05734%0.341CS..EExtended strand (participates in β ladder)trans-116.1138.2171-74.5-84.8000110.4P122 C142 F148 V176 A178 F180 C196P122-F151 HydrophobicContact CB-CE1 3.92Å; P122-F151 HydrophobicContact CG-CE1 4.48Å; C142-F151 HydrophobicContact CB-CD1 4.03Å; C142-F151 HydrophobicContact CB-CE1 4.49Å; C142-F151 HydrophobicContact CB-CG 4.44Å; C142-F151 WeakPolarHBondContact SG-CD1 3.27Å; F148-F151 HydrophobicContact CB-CE2 4.24Å; F148-F151 HydrophobicContact CB-CZ 4.18Å; F148-F151 AromaticContact CD2-CE1 3.93Å; F148-F151 HydrophobicContact CD2-CE1 3.93Å; F148-F151 HydrophobicContact CD2-CZ 4.01Å; F151-V176 HydrophobicContact CE2-CB 4.37Å; F151-V176 HydrophobicContact CE2-CG2 3.8Å; F151-V176 HydrophobicContact CZ-CG2 3.83Å; F151-A178 HydrophobicContact CB-CB 3.71Å; F151-A178 HydrophobicContact CD2-CB 3.58Å; F151-A178 HydrophobicContact CE2-CB 4.44Å; F151-A178 HydrophobicContact CG-CB 3.88Å; F151-F180 HydrophobicContact CB-CE2 4.33Å; F151-F180 HydrophobicContact CB-CZ 3.86Å; F151-C196 CarbonylContact C-O 3.6Å; F151-C196 WeakPolarHBondContact CA-O 3.43Å
152I90.8Very high77.1Confident7 Ų766 Ų664%0.03635%0.351CS..EExtended strand (participates in β ladder)trans-115.5117.1178.9-56.688.6000108E150 C195 C196 W206E150-I152 HydrophobicContact CG-CD1 4.46Å; I152-C195 CarbonylContact O-C 3.6Å; I152-C195 WeakPolarHBondContact O-CA 3.44Å; I152-C196 PolarHBondContact N-O 3.2Å; I152-C196 PolarHBondContact O-N 2.99Å; I152-W206 HydrophobicContact CB-CH2 4.15Å; I152-W206 HydrophobicContact CB-CZ2 4.38Å; I152-W206 HydrophobicContact CB-CZ3 4.37Å; I152-W206 HydrophobicContact CD1-CD2 4.24Å; I152-W206 HydrophobicContact CD1-CZ2 4.01Å; I152-W206 HydrophobicContact CG1-CH2 4.07Å; I152-W206 HydrophobicContact CG1-CZ2 3.8Å; I152-W206 HydrophobicContact CG2-CH2 3.72Å; I152-W206 HydrophobicContact CG2-CZ2 4.3Å; I152-W206 HydrophobicContact CG2-CZ3 4.1Å
153L92.4Very high74.8Confident10 Ų1070.9 Ų70.95%0.05237%0.374CS..EExtended strand (participates in β ladder)trans-96.5137.2170.2179.673.1000109.5I124 L140 S162 F180 Y193 C195I124-L153 HydrophobicContact CD1-CD1 3.64Å; L140-L153 HydrophobicContact CB-CD2 4.21Å; L140-L153 HydrophobicContact CD1-CD1 4.14Å; L140-L153 HydrophobicContact CD1-CD2 3.81Å; L140-L153 HydrophobicContact CG-CD2 4.49Å; L153-S162 WeakPolarHBondContact O-CA 3.3Å; L153-F180 HydrophobicContact CB-CD1 4.12Å; L153-F180 HydrophobicContact CB-CD2 3.85Å; L153-F180 HydrophobicContact CB-CE1 4.14Å; L153-F180 HydrophobicContact CB-CE2 3.87Å; L153-F180 HydrophobicContact CB-CG 3.98Å; L153-F180 HydrophobicContact CB-CZ 4.01Å; L153-F180 HydrophobicContact CD2-CB 3.59Å; L153-F180 HydrophobicContact CD2-CD1 4.32Å; L153-F180 HydrophobicContact CD2-CD2 3.9Å; L153-F180 HydrophobicContact CD2-CG 3.66Å; L153-F180 HydrophobicContact CG-CD2 4.31Å; L153-F180 HydrophobicContact CG-CG 4.41Å; L153-Y193 HydrophobicContact CD1-CD1 4.26Å; L153-Y193 HydrophobicContact CD2-CD1 4.36Å; L153-Y193 HydrophobicContact CG-CD1 4.27Å; L153-C195 HydrophobicContact CD1-CB 4.41Å
154Y87.3Confident72.8Confident47 Ų4773 Ų7318%0.18438%0.384CS..EExtended strand (participates in β ladder)trans-144.7159.2171.262.1-87.4000111.4Y193 R194 P209Y154-Y193 CarbonylContact O-C 3.58Å; Y154-Y193 WeakPolarHBondContact O-CA 3.32Å; Y154-R194 HydrophobicContact CE1-CB 4.13Å; Y154-R194 HydrophobicContact CE2-CB 3.97Å; Y154-R194 PolarHBondContact N-O 3.26Å; Y154-R194 PolarHBondContact O-N 2.81Å; Y154-P209 WeakPolarHBondContact OH-CB 3.44Å
155K85.4Confident70.6Confident46 Ų4675.6 Ų75.620%0.240%0.397CS..EExtended strand (participates in β ladder)trans-96.5132.6174.3-170.7-174.4-178.8-174.40108.9G157 H158 A188 A190 A192 Y193K155-G157 PolarHBondContact O-N 3.31Å; K155-H158 CarbonylContact O-C 3.38Å; K155-H158 PolarHBondContact O-N 2.77Å; K155-A188 PolarHBondContact NZ-O 2.92Å; K155-A190 WeakPolarHBondContact CE-O 3.41Å; K155-A190 PolarHBondContact NZ-O 2.83Å; K155-A192 CarbonylContact C-O 3.56Å; K155-A192 WeakPolarHBondContact CA-O 3.34Å; K155-Y193 HydrophobicContact CB-CD1 4.11Å; K155-Y193 HydrophobicContact CB-CE1 3.82Å; K155-Y193 HydrophobicContact CD-CE2 4.45Å; K155-Y193 HydrophobicContact CG-CE1 4.19Å; K155-Y193 HydrophobicContact CG-CE2 4.2Å
156E77.4Confident68.3Low102 Ų10273.3 Ų73.348%0.47739%0.39SS..THydrogen-bonded Turntrans-57136.3177.6-169.5157.2-135.400110.8H158 A192 R194E156-H158 VanDerWaalsContact C-N 3.31Å; E156-H158 PolarHBondContact O-N 2.89Å; E156-A192 HydrophobicContact CB-CB 4.13Å; E156-A192 PolarHBondContact N-O 2.83Å; E156-R194 IonicContact OE1-CZ 3.88Å; E156-R194 IonicContact OE1-NH1 2.64Å; E156-R194 PolarHBondContact OE1-NH1 3.45Å; E156-R194 IonicContact OE1-NH2 3.58Å; E156-R194 PolarHBondContact OE1-NH2 2.82Å; E156-R194 IonicContact OE2-CZ 2.67Å; E156-R194 IonicContact OE2-NH1 2.67Å; E156-R194 PolarHBondContact OE2-NH1 2.76Å; E156-R194 IonicContact OE2-NH2 2.78Å; E156-R194 PolarHBondContact OE2-NH2 3.43Å
157G64.4Low66.1Low73 Ų7378.4 Ų78.475%0.75341%0.413SS*.THydrogen-bonded Turntrans84.6-11.1-173.500000115.6K155K155-G157 PolarHBondContact O-N 3.31Å
158H55.3Low64Low115 Ų11577.5 Ų77.553%0.53241%0.41SS..EExtended strand (participates in β ladder)trans-139103.2175.3-68.6-83.1000111.8K155 E156 Q160K155-H158 CarbonylContact O-C 3.38Å; K155-H158 PolarHBondContact O-N 2.77Å; E156-H158 VanDerWaalsContact C-N 3.31Å; E156-H158 PolarHBondContact O-N 2.89Å; H158-Q160 PolarHBondContact O-N 3.02Å
159I47.8Very low62.1Low90 Ų9082.6 Ų82.646%0.46244%0.435SS..EExtended strand (participates in β ladder)trans-69.9-10.2177.4-55.3177.8000112S36 V38 H161S36-I159 WeakPolarHBondContact OG-CD1 3.35Å; V38-I159 HydrophobicContact CG2-CD1 4.35Å; V38-I159 HydrophobicContact CG2-CG2 4.06Å; I159-H161 PolarHBondContact O-N 3.11Å
160Q40.8Very low60.3Low175 Ų17586.7 Ų86.782%0.81845%0.451SS*.EExtended strand (participates in β ladder)trans-83.9-9.7-164.5-72.8-170.1-36.900116.7H158H158-Q160 PolarHBondContact O-N 3.02Å
161H38.7Very low58.4Low152 Ų15289.1 Ų89.170%0.70448%0.476SS*.EExtended strand (participates in β ladder)trans-104.855.6179.1-78.6-75.5000112I159 Q163I159-H161 PolarHBondContact O-N 3.11Å; H161-Q163 PolarHBondContact O-N 2.9Å; H161-Q163 VanDerWaalsContact O-N 3.13Å
162S45.5Very low56.6Low73 Ų7389.6 Ų89.651%0.5149%0.485SS..EExtended strand (participates in β ladder)trans-73.795.9163.161.30000108.4L153 Q164L153-S162 WeakPolarHBondContact O-CA 3.3Å; S162-Q164 PolarHBondContact O-N 2.92Å
163Q44.7Very low55Low101 Ų10196.9 Ų96.947%0.47252%0.523SS..EExtended strand (participates in β ladder)trans-76.6106.8163.2-171.2167.3300106.5H161 L165 F180H161-Q163 PolarHBondContact O-N 2.9Å; H161-Q163 VanDerWaalsContact O-N 3.13Å; Q163-L165 PolarHBondContact O-N 2.91Å; Q163-F180 HydrophobicContact CB-CD1 4.22Å; Q163-F180 HydrophobicContact CG-CD1 4.45Å; Q163-F180 WeakPolarHBondContact O-CE1 3.4Å
164Q49.3Very low53.5Low112 Ų112103.8 Ų103.852%0.52355%0.554SS.*EExtended strand (participates in β ladder)trans-77.3110.8168179.6163.27.300106.3E150 S162 D166E150-Q164 HydrophobicContact CG-CG 4.43Å; E150-Q164 VanDerWaalsContact OE1-CG 3.26Å; E150-Q164 WeakPolarHBondContact OE1-CG 3.13Å; E150-Q164 PolarHBondContact OE1-NE2 2.8Å; E150-Q164 PolarHBondContact OE1-OE1 2.81Å; E150-Q164 PolarHBondContact OE2-NE2 3.19Å; E150-Q164 VanDerWaalsContact OE2-NE2 3.13Å; S162-Q164 PolarHBondContact O-N 2.92Å; Q164-D166 PolarHBondContact O-N 3.22Å
165L44.7Very low52.8Low61 Ų61107.3 Ų107.332%0.31957%0.568SS.*  trans-85.1113.4171.2-172.872.9000107.9Q163 V179 F180Q163-L165 PolarHBondContact O-N 2.91Å; L165-V179 WeakPolarHBondContact CD2-O 3.38Å; L165-F180 HydrophobicContact CB-CD1 4.46Å; L165-F180 HydrophobicContact CB-CE1 4.08Å
166D41Very low52.7Low132 Ų132105.8 Ų105.871%0.70656%0.563SS**  trans-83.5122.8160.9-1595.6000107.3Q164Q164-D166 PolarHBondContact O-N 3.22Å
167Q43.1Very low53.2Low169 Ų169102.8 Ų102.879%0.7955%0.549SS*.SBendtrans68.8104.1170.8-65.5168.42800118.3
168G42.4Very low54.3Low45 Ų4599.8 Ų99.846%0.46452%0.517SS..  trans179.938.9162.800000112.1E170G168-E170 PolarHBondContact O-N 3.23Å
169M49Very low56Low107 Ų10796.6 Ų96.653%0.52751%0.505SS..  trans-73.892.7173-73.9178174.600108.6F148 A171F148-M169 WeakPolarHBondContact O-CE 3.48Å; M169-A171 PolarHBondContact O-N 2.89Å
170E47.2Very low58Low160 Ų16092.5 Ų92.575%0.74848%0.484SS*.  trans-74.490.3154.3-75.3-141.615700107.3G168 G172G168-E170 PolarHBondContact O-N 3.23Å; E170-G172 VanDerWaalsContact C-N 3.32Å; E170-G172 PolarHBondContact O-N 2.91Å
171A47.6Very low60.4Low81 Ų8187 Ų8767%0.66947%0.465SS*.  trans-70.690.2174.800000109.1M169M169-A171 PolarHBondContact O-N 2.89Å
172G53.2Low62.8Low24 Ų2480.8 Ų80.825%0.24744%0.437CS..BIsolated β-bridgetrans-64.1152.5152.200000108.9E170 H174 Y175E170-G172 VanDerWaalsContact C-N 3.32Å; E170-G172 PolarHBondContact O-N 2.91Å; G172-H174 PolarHBondContact O-N 2.86Å; G172-Y175 PolarHBondContact O-N 2.82Å
173I57.1Low64.5Low160 Ų16078.5 Ų78.582%0.82142%0.424SS*.THydrogen-bonded Turntrans-56.3-15.1-171.4-55.9173.3000113
174H60.6Low66.7Low154 Ų15477.8 Ų77.871%0.71343%0.429SS*.THydrogen-bonded Turntrans-143.414.6-177.4-60.6-63.4000116.4G172G172-H174 PolarHBondContact O-N 2.86Å
175Y72.6Confident68.2Low121 Ų12172.6 Ų72.648%0.47540%0.404SS..BIsolated β-bridgetrans-152.6143.5177.866.1-85.2000111.7S144 G172S144-Y175 WeakPolarHBondContact O-CA 3.34Å; G172-Y175 PolarHBondContact O-N 2.82Å
176V84.3Confident69.8Low15 Ų1572.7 Ų72.79%0.09141%0.407CS..EExtended strand (participates in β ladder)trans-110.8141.1171-66.90000109.5H143 S144 L146 A147 F151H143-V176 CarbonylContact C-O 3.5Å; H143-V176 WeakPolarHBondContact CA-O 3.34Å; H143-V176 VanDerWaalsContact CB-O 3.31Å; H143-V176 WeakPolarHBondContact CB-O 3.45Å; S144-V176 PolarHBondContact N-O 2.91Å; S144-V176 PolarHBondContact O-N 2.8Å; L146-V176 WeakPolarHBondContact O-CG2 3.46Å; A147-V176 HydrophobicContact CB-CG1 4.15Å; F151-V176 HydrophobicContact CE2-CB 4.37Å; F151-V176 HydrophobicContact CE2-CG2 3.8Å; F151-V176 HydrophobicContact CZ-CG2 3.83Å
177E87.9Confident71.4Confident38 Ų3868.7 Ų68.718%0.17839%0.389CS..EExtended strand (participates in β ladder)trans-131.5145.6179.2-177.8172.8-121.500110.2R141 C142 H143 V179R141-E177 HydrophobicContact CB-CG 4.31Å; R141-E177 VanDerWaalsContact CB-OE1 3.24Å; R141-E177 WeakPolarHBondContact CB-OE1 3.19Å; R141-E177 VanDerWaalsContact CD-OE1 3.24Å; R141-E177 WeakPolarHBondContact CD-OE1 3.36Å; R141-E177 IonicContact NH1-OE2 2.71Å; C142-E177 CarbonylContact O-C 3.57Å; C142-E177 VanDerWaalsContact O-CA 3.31Å; C142-E177 WeakPolarHBondContact O-CA 3.49Å; H143-E177 HydrophobicContact CB-CB 3.89Å; H143-E177 HydrophobicContact CB-CG 4.05Å; E177-V179 HydrophobicContact CG-CG2 4.3Å
178A87.8Confident73Confident10 Ų1064.2 Ų64.28%0.08338%0.381CS..EExtended strand (participates in β ladder)trans-121.2138.1166.600000110.1R141 C142 F151 F180R141-A178 WeakPolarHBondContact CA-O 3.21Å; C142-A178 PolarHBondContact N-O 2.97Å; C142-A178 PolarHBondContact O-N 2.83Å; F151-A178 HydrophobicContact CB-CB 3.71Å; F151-A178 HydrophobicContact CD2-CB 3.58Å; F151-A178 HydrophobicContact CE2-CB 4.44Å; F151-A178 HydrophobicContact CG-CB 3.88Å; A178-F180 HydrophobicContact CB-CE2 3.94Å; A178-F180 HydrophobicContact CB-CZ 3.91Å
179V90.7Very high74.9Confident49 Ų4964.7 Ų64.730%0.29737%0.371SS..EExtended strand (participates in β ladder)trans-116.2109.1-176.6-175.60000110.7R141 L165 E177R141-V179 HydrophobicContact CG-CG1 4.33Å; R141-V179 HydrophobicContact CG-CG2 4.17Å; L165-V179 WeakPolarHBondContact CD2-O 3.38Å; E177-V179 HydrophobicContact CG-CG2 4.3Å
180F90.3Very high76.4Confident3 Ų360.2 Ų60.21%0.01335%0.351CS..EExtended strand (participates in β ladder)trans-94.3105.4178-54.2-80.2000110.3S139 L140 C142 F151 L153 Q163 L165 A178S139-F180 CarbonylContact C-O 3.24Å; S139-F180 WeakPolarHBondContact CA-O 3.28Å; L140-F180 HydrophobicContact CB-CB 4.38Å; L140-F180 PolarHBondContact N-O 2.81Å; L140-F180 WeakPolarHBondContact O-CD2 3.46Å; L140-F180 PolarHBondContact O-N 2.86Å; C142-F180 HydrophobicContact CB-CE2 4.02Å; F151-F180 HydrophobicContact CB-CE2 4.33Å; F151-F180 HydrophobicContact CB-CZ 3.86Å; L153-F180 HydrophobicContact CB-CD1 4.12Å; L153-F180 HydrophobicContact CB-CD2 3.85Å; L153-F180 HydrophobicContact CB-CE1 4.14Å; L153-F180 HydrophobicContact CB-CE2 3.87Å; L153-F180 HydrophobicContact CB-CG 3.98Å; L153-F180 HydrophobicContact CB-CZ 4.01Å; L153-F180 HydrophobicContact CD2-CB 3.59Å; L153-F180 HydrophobicContact CD2-CD1 4.32Å; L153-F180 HydrophobicContact CD2-CD2 3.9Å; L153-F180 HydrophobicContact CD2-CG 3.66Å; L153-F180 HydrophobicContact CG-CD2 4.31Å; L153-F180 HydrophobicContact CG-CG 4.41Å; Q163-F180 HydrophobicContact CB-CD1 4.22Å; Q163-F180 HydrophobicContact CG-CD1 4.45Å; Q163-F180 WeakPolarHBondContact O-CE1 3.4Å; L165-F180 HydrophobicContact CB-CD1 4.46Å; L165-F180 HydrophobicContact CB-CE1 4.08Å; A178-F180 HydrophobicContact CB-CE2 3.94Å; A178-F180 HydrophobicContact CB-CZ 3.91Å
181S91Very high78Confident59 Ų5952.9 Ų52.941%0.41332%0.318SS..EExtended strand (participates in β ladder)trans-77.5122.9175.9-75.50000111.6
182M88.3Confident79.6Confident23 Ų2349.5 Ų49.511%0.11329%0.29CS..EExtended strand (participates in β ladder)trans-118.8132.6179.6-172.7-170.3-6300111.4R137 V138 L140 V185 H189 Y193R137-M182 WeakPolarHBondContact CA-O 3.38Å; V138-M182 HydrophobicContact CG1-CB 3.92Å; V138-M182 HydrophobicContact CG1-CG 4.41Å; V138-M182 HydrophobicContact CG1-SD 4.19Å; V138-M182 PolarHBondContact N-O 2.78Å; V138-M182 WeakPolarHBondContact O-CA 3.43Å; V138-M182 PolarHBondContact O-N 3.27Å; V138-M182 VanDerWaalsContact O-O 3.05Å; L140-M182 HydrophobicContact CD1-CE 3.59Å; L140-M182 HydrophobicContact CG-CE 4.25Å; M182-V185 HydrophobicContact CG-CG1 4.2Å; M182-V185 HydrophobicContact SD-CG1 4.39Å; M182-H189 HydrophobicContact SD-CB 3.83Å; M182-Y193 HydrophobicContact CE-CD1 4.2Å; M182-Y193 HydrophobicContact CE-CE1 3.46Å; M182-Y193 VanDerWaalsContact CE-CE1 3.46Å; M182-Y193 HydrophobicContact CE-CE2 4.17Å; M182-Y193 VanDerWaalsContact CE-CZ 3.45Å; M182-Y193 WeakPolarHBondContact CE-OH 3.32Å
183G82.7Confident81.3Confident24 Ų2449.3 Ų49.325%0.24728%0.282CS..  trans124.3178.1169.300000115R137 V185R137-G183 PolarHBondContact NH1-O 3.05Å; G183-V185 VanDerWaalsContact CA-N 3.31Å
184P89.8Confident83Confident87 Ų8743.6 Ų43.657%0.56525%0.25SS*.SBendcis-55.4123.78.8-26.535.7000114A136A136-P184 CarbonylContact O-C 3.52Å; A136-P184 WeakPolarHBondContact O-CA 3.38Å
185V81.5Confident84.5Confident2 Ų236.3 Ų36.31%0.01222%0.216CC..  trans-74.5138.7-170.7-60.50000111.1V132 H133 G135 A136 V138 M182 G183 H189 I217V132-V185 HydrophobicContact CB-CG2 4.13Å; V132-V185 HydrophobicContact CG1-CG1 4.31Å; V132-V185 HydrophobicContact CG1-CG2 3.54Å; H133-V185 WeakPolarHBondContact O-CG2 3.34Å; G135-V185 PolarHBondContact N-O 2.03Å; A136-V185 WeakPolarHBondContact O-CG2 3.31Å; A136-V185 PolarHBondContact O-N 2.89Å; V138-V185 HydrophobicContact CG1-CG1 3.94Å; M182-V185 HydrophobicContact CG-CG1 4.2Å; M182-V185 HydrophobicContact SD-CG1 4.39Å; G183-V185 VanDerWaalsContact CA-N 3.31Å; V185-H189 HydrophobicContact CB-CB 4.48Å; V185-I217 HydrophobicContact CB-CD1 3.9Å; V185-I217 HydrophobicContact CG1-CD1 4.49Å; V185-I217 HydrophobicContact CG2-CD1 3.75Å; V185-I217 HydrophobicContact CG2-CG2 4.47Å
186T78.6Confident85.5Confident63 Ų6330.5 Ų30.539%0.38719%0.194SC..  trans-117.9165173.172.30000108.7A188 H189T186-A188 PolarHBondContact O-N 2.76Å; T186-H189 PolarHBondContact N-ND1 2.85Å; T186-H189 VanDerWaalsContact O-CB 3.28Å; T186-H189 WeakPolarHBondContact O-CB 3.16Å; T186-H189 PolarHBondContact O-N 3.09Å; T186-H189 PolarHBondContact O-ND1 3Å; T186-H189 PolarHBondContact OG1-CE1 2.92Å; T186-H189 PolarHBondContact OG1-ND1 2.92Å
187P74.1Confident85.9Confident49 Ų4929.8 Ų29.832%0.31819%0.19SC..G310 helixtrans-54.7-25.1177.5-24.633.4000114.4H189 A190 K220P187-H189 PolarHBondContact O-N 2.91Å; P187-A190 WeakPolarHBondContact O-CB 3.36Å; P187-A190 PolarHBondContact O-N 2.76Å; P187-A190 VanDerWaalsContact O-N 3.1Å; P187-K220 HydrophobicContact CB-CD 3.85Å; P187-K220 HydrophobicContact CG-CB 4.01Å; P187-K220 HydrophobicContact CG-CD 3.16Å; P187-K220 HydrophobicContact CG-CG 3.5Å
188A77.4Confident86.1Confident74 Ų7428 Ų2861%0.61218%0.181SC*.G310 helixtrans-63.8-22.617500000113.2K155 T186 A190K155-A188 PolarHBondContact NZ-O 2.92Å; T186-A188 PolarHBondContact O-N 2.76Å; A188-A190 VanDerWaalsContact C-N 3.29Å
189H82.3Confident86.2Confident55 Ų5529.6 Ų29.626%0.25519%0.186SC..G310 helixtrans-80.2-6.7176.2-59.284.7000112.9M182 V185 T186 P187 Y193M182-H189 HydrophobicContact SD-CB 3.83Å; V185-H189 HydrophobicContact CB-CB 4.48Å; T186-H189 PolarHBondContact N-ND1 2.85Å; T186-H189 VanDerWaalsContact O-CB 3.28Å; T186-H189 WeakPolarHBondContact O-CB 3.16Å; T186-H189 PolarHBondContact O-N 3.09Å; T186-H189 PolarHBondContact O-ND1 3Å; T186-H189 PolarHBondContact OG1-CE1 2.92Å; T186-H189 PolarHBondContact OG1-ND1 2.92Å; P187-H189 PolarHBondContact O-N 2.91Å; H189-Y193 WeakPolarHBondContact O-CE2 3.42Å; H189-Y193 PolarHBondContact O-OH 3.37Å; H189-Y193 VanDerWaalsContact O-OH 3.05Å
190A80.3Confident86Confident14 Ų1430.9 Ų30.912%0.11620%0.197CC..  trans-70.8138.2175.500000111.2K155 P187 A188 I215 I217 P303K155-A190 WeakPolarHBondContact CE-O 3.41Å; K155-A190 PolarHBondContact NZ-O 2.83Å; P187-A190 WeakPolarHBondContact O-CB 3.36Å; P187-A190 PolarHBondContact O-N 2.76Å; P187-A190 VanDerWaalsContact O-N 3.1Å; A188-A190 VanDerWaalsContact C-N 3.29Å; A190-I215 CarbonylContact C-O 3.53Å; A190-I215 VanDerWaalsContact CA-O 3.22Å; A190-I215 WeakPolarHBondContact CA-O 3.36Å; A190-I217 HydrophobicContact CB-CB 4.46Å; A190-I217 HydrophobicContact CB-CG1 3.94Å; A190-P303 HydrophobicContact CB-CG 4.33Å
191G79.1Confident85.8Confident6 Ų638.1 Ų38.16%0.06223%0.231CC..EExtended strand (participates in β ladder)trans147.9179.917700000113.8Y193 I215G191-Y193 VanDerWaalsContact O-CD2 3.3Å; G191-Y193 WeakPolarHBondContact O-CD2 3.3Å; G191-I215 PolarHBondContact N-O 2.8Å; G191-I215 PolarHBondContact O-N 2.98Å
192A82.6Confident85.6Confident10 Ų1035.9 Ų35.98%0.08322%0.216CC..EExtended strand (participates in β ladder)trans-82.3127.2177.700000111.3K155 E156 P212 D214 Y304K155-A192 CarbonylContact C-O 3.56Å; K155-A192 WeakPolarHBondContact CA-O 3.34Å; E156-A192 HydrophobicContact CB-CB 4.13Å; E156-A192 PolarHBondContact N-O 2.83Å; A192-P212 HydrophobicContact CB-CB 4.22Å; A192-D214 WeakPolarHBondContact CB-OD1 3.38Å; A192-Y304 PolarHBondContact N-OH 2.73Å
193Y89.2Confident85.5Confident19 Ų1941.1 Ų41.18%0.07523%0.234CC..EExtended strand (participates in β ladder)trans-111144175.2-71.4-99.3000110.5L140 L153 Y154 K155 M182 H189 G191 P212 L213 I215L140-Y193 HydrophobicContact CD1-CD1 3.82Å; L140-Y193 HydrophobicContact CD1-CD2 4.28Å; L140-Y193 HydrophobicContact CD1-CE1 4.35Å; L140-Y193 HydrophobicContact CD1-CG 3.79Å; L153-Y193 HydrophobicContact CD1-CD1 4.26Å; L153-Y193 HydrophobicContact CD2-CD1 4.36Å; L153-Y193 HydrophobicContact CG-CD1 4.27Å; Y154-Y193 CarbonylContact O-C 3.58Å; Y154-Y193 WeakPolarHBondContact O-CA 3.32Å; K155-Y193 HydrophobicContact CB-CD1 4.11Å; K155-Y193 HydrophobicContact CB-CE1 3.82Å; K155-Y193 HydrophobicContact CD-CE2 4.45Å; K155-Y193 HydrophobicContact CG-CE1 4.19Å; K155-Y193 HydrophobicContact CG-CE2 4.2Å; M182-Y193 HydrophobicContact CE-CD1 4.2Å; M182-Y193 HydrophobicContact CE-CE1 3.46Å; M182-Y193 VanDerWaalsContact CE-CE1 3.46Å; M182-Y193 HydrophobicContact CE-CE2 4.17Å; M182-Y193 VanDerWaalsContact CE-CZ 3.45Å; M182-Y193 WeakPolarHBondContact CE-OH 3.32Å; H189-Y193 WeakPolarHBondContact O-CE2 3.42Å; H189-Y193 PolarHBondContact O-OH 3.37Å; H189-Y193 VanDerWaalsContact O-OH 3.05Å; G191-Y193 VanDerWaalsContact O-CD2 3.3Å; G191-Y193 WeakPolarHBondContact O-CD2 3.3Å; Y193-P212 CarbonylContact O-C 3.55Å; Y193-P212 WeakPolarHBondContact O-CA 3.39Å; Y193-L213 PolarHBondContact N-O 3.43Å; Y193-L213 PolarHBondContact O-N 3.08Å; Y193-I215 HydrophobicContact CD2-CB 4.2Å; Y193-I215 HydrophobicContact CD2-CG1 3.63Å; Y193-I215 HydrophobicContact CE2-CB 4.02Å; Y193-I215 HydrophobicContact CE2-CG1 3.84Å
194R92.4Very high86Confident41 Ų4143 Ų4316%0.15523%0.234CC..EExtended strand (participates in β ladder)trans-132.5155.1171.4-71.6-169.6-178.979.2-1.7110.2Y154 E156 S210 P212Y154-R194 HydrophobicContact CE1-CB 4.13Å; Y154-R194 HydrophobicContact CE2-CB 3.97Å; Y154-R194 PolarHBondContact N-O 3.26Å; Y154-R194 PolarHBondContact O-N 2.81Å; E156-R194 IonicContact OE1-CZ 3.88Å; E156-R194 IonicContact OE1-NH1 2.64Å; E156-R194 PolarHBondContact OE1-NH1 3.45Å; E156-R194 IonicContact OE1-NH2 3.58Å; E156-R194 PolarHBondContact OE1-NH2 2.82Å; E156-R194 IonicContact OE2-CZ 2.67Å; E156-R194 IonicContact OE2-NH1 2.67Å; E156-R194 PolarHBondContact OE2-NH1 2.76Å; E156-R194 IonicContact OE2-NH2 2.78Å; E156-R194 PolarHBondContact OE2-NH2 3.43Å; R194-S210 WeakPolarHBondContact CA-OG 3.32Å; R194-S210 VanDerWaalsContact CD-O 3.27Å; R194-S210 WeakPolarHBondContact CD-O 3.24Å; R194-P212 HydrophobicContact CG-CB 4.37Å
195C92.4Very high86.2Confident0 Ų041.8 Ų41.80%022%0.221CC..EExtended strand (participates in β ladder)trans-124154.2171.267.90000113.1I124 C142 I152 L153 S210I124-C195 HydrophobicContact CD1-CB 4.32Å; C142-C195 HydrophobicContact CB-CB 3.65Å; C142-C195 WeakPolarHBondContact CB-SG 3.3Å; C142-C195 WeakPolarHBondContact SG-CB 3.47Å; C142-C195 CovalentContact SG-SG 2.03Å; C142-C195 PolarHBondContact SG-SG 3.47Å; I152-C195 CarbonylContact O-C 3.6Å; I152-C195 WeakPolarHBondContact O-CA 3.44Å; L153-C195 HydrophobicContact CD1-CB 4.41Å; C195-S210 PolarHBondContact N-OG 2.93Å; C195-S210 PolarHBondContact O-N 2.96Å
196C93.8Very high86.8Confident0 Ų043 Ų430%023%0.225CC..EExtended strand (participates in β ladder)trans-129.7156171.5-59.70000109F151 I152 W206 S207F151-C196 CarbonylContact C-O 3.6Å; F151-C196 WeakPolarHBondContact CA-O 3.43Å; I152-C196 PolarHBondContact N-O 3.2Å; I152-C196 PolarHBondContact O-N 2.99Å; C196-W206 HydrophobicContact CB-CB 4.32Å; C196-W206 HydrophobicContact CB-CD2 4.31Å; C196-W206 HydrophobicContact CB-CE3 3.85Å; C196-S207 WeakPolarHBondContact CA-OG 3.41Å
197G92.4Very high87.6Confident0 Ų040 Ų400%021%0.207CC..EExtended strand (participates in β ladder)trans-115.9150.5170.500000111.5E150 S207E150-G197 WeakPolarHBondContact O-CA 2.98Å; G197-S207 PolarHBondContact N-OG 2.95Å; G197-S207 PolarHBondContact O-N 2.93Å
198C91.5Very high88.7Confident1 Ų139 Ų391%0.00720%0.203CC..EExtended strand (participates in β ladder)trans-144.7163.9170.669.50000111.4D149 E150 E205 W206D149-C198 PolarHBondContact N-O 3.13Å; D149-C198 VanDerWaalsContact N-O 3.16Å; E150-C198 PolarHBondContact N-O 3.33Å; E150-C198 VanDerWaalsContact N-O 3.12Å; E150-C198 PolarHBondContact O-N 3.47Å; C198-E205 VanDerWaalsContact CB-O 3.27Å; C198-E205 WeakPolarHBondContact CB-O 3.45Å; C198-W206 HydrophobicContact CB-CG 4.41Å
199F89.6Confident89.5Confident42 Ų4237.8 Ų37.818%0.18419%0.189CC..  trans-94.8149.7173.5-59.1-79.8000110.4F119 A147 F148 H201 S202 R203F119-F199 HydrophobicContact CD1-CE2 4.22Å; F119-F199 HydrophobicContact CE1-CD2 4.41Å; F119-F199 AromaticContact CE1-CE2 3.96Å; F119-F199 HydrophobicContact CE1-CE2 3.96Å; F119-F199 HydrophobicContact CE2-CD2 4.19Å; F119-F199 HydrophobicContact CE2-CE2 4.29Å; F119-F199 HydrophobicContact CG-CE2 4.5Å; F119-F199 HydrophobicContact CZ-CD2 4.01Å; F119-F199 HydrophobicContact CZ-CE2 4.01Å; A147-F199 VanDerWaalsContact O-CE1 3.29Å; A147-F199 WeakPolarHBondContact O-CE1 3.14Å; F148-F199 HydrophobicContact CD1-CD1 4.43Å; F148-F199 HydrophobicContact CD1-CD2 4.22Å; F148-F199 HydrophobicContact CD1-CE1 4.13Å; F148-F199 AromaticContact CD1-CE2 3.9Å; F148-F199 HydrophobicContact CD1-CE2 3.9Å; F148-F199 HydrophobicContact CD1-CG 4.48Å; F148-F199 AromaticContact CD1-CZ 3.85Å; F148-F199 HydrophobicContact CD1-CZ 3.85Å; F148-F199 HydrophobicContact CE1-CD2 4.37Å; F148-F199 AromaticContact CE1-CE2 3.8Å; F148-F199 HydrophobicContact CE1-CE2 3.8Å; F148-F199 AromaticContact CE1-CZ 4Å; F148-F199 HydrophobicContact CE1-CZ 4Å; F199-H201 WeakPolarHBondContact CB-CE1 3.36Å; F199-H201 WeakPolarHBondContact CB-ND1 3.24Å; F199-H201 AromaticContact CG-CE1 3.73Å; F199-H201 PolarHBondContact O-N 3.24Å; F199-S202 CarbonylContact O-C 3.59Å; F199-S202 VanDerWaalsContact O-C 3.24Å; F199-S202 PolarHBondContact O-N 2.81Å; F199-R203 PolarHBondContact O-N 3.24Å
200S86.4Confident90.1Very high76 Ų7635.3 Ų35.353%0.53118%0.177SC..G310 helixtrans-58-33.7-179.455.90000112.8D149 S202 R203D149-S200 VanDerWaalsContact OD2-CB 3.25Å; D149-S200 WeakPolarHBondContact OD2-CB 3.06Å; D149-S200 PolarHBondContact OD2-N 2.9Å; D149-S200 PolarHBondContact OD2-OG 2.84Å; S200-S202 VanDerWaalsContact C-N 3.31Å; S200-R203 VanDerWaalsContact O-CG 3.27Å; S200-R203 WeakPolarHBondContact O-CG 3.29Å
201H85.9Confident90.6Very high156 Ų15639.3 Ų39.372%0.72220%0.197SC*.G310 helixtrans-78.7-10.9177.266.2-88.2000113.8F199F199-H201 WeakPolarHBondContact CB-CE1 3.36Å; F199-H201 WeakPolarHBondContact CB-ND1 3.24Å; F199-H201 AromaticContact CG-CE1 3.73Å; F199-H201 PolarHBondContact O-N 3.24Å
202S87.2Confident91Very high12 Ų1242 Ų428%0.08421%0.214CC..G310 helixtrans-140.152.3-175.959.10000112.1F199 S200 Y204 E205F199-S202 CarbonylContact O-C 3.59Å; F199-S202 VanDerWaalsContact O-C 3.24Å; F199-S202 PolarHBondContact O-N 2.81Å; S200-S202 VanDerWaalsContact C-N 3.31Å; S202-Y204 PolarHBondContact O-N 3.17Å; S202-E205 WeakPolarHBondContact O-CB 3.21Å; S202-E205 PolarHBondContact O-N 2.86Å
203R87.3Confident91.2Very high132 Ų13242.9 Ų42.950%0.49822%0.216SC..THydrogen-bonded Turntrans-61.6-14.8-172.3-58-145-69.7-168.4-5.2116.7F199 S200 W206F199-R203 PolarHBondContact O-N 3.24Å; S200-R203 VanDerWaalsContact O-CG 3.27Å; S200-R203 WeakPolarHBondContact O-CG 3.29Å; R203-W206 PolarHBondContact O-NE1 3.19Å
204Y91.5Very high90.9Very high65 Ų6545.1 Ų45.126%0.25523%0.23SC..THydrogen-bonded Turntrans-96.6-4.1176.6-53.7-62.7000113T91 K112 I114 V115 S202T91-Y204 PolarHBondContact OG1-OH 3.4Å; K112-Y204 HydrophobicContact CB-CD1 4.34Å; K112-Y204 HydrophobicContact CB-CE1 4.01Å; K112-Y204 HydrophobicContact CD-CE1 3.89Å; K112-Y204 HydrophobicContact CG-CE1 3.77Å; I114-Y204 CarbonylContact C-O 3.6Å; I114-Y204 WeakPolarHBondContact CA-O 3.24Å; V115-Y204 PolarHBondContact N-O 3.19Å; S202-Y204 PolarHBondContact O-N 3.17Å
205E94.3Very high90.3Very high61 Ų6143.1 Ų43.129%0.28522%0.222SC..EExtended strand (participates in β ladder)trans-110.1109.7-178.9-68.9178.2-137.800108.9A89 L118 F119 C198 S202A89-E205 HydrophobicContact CB-CG 3.97Å; L118-E205 HydrophobicContact CD1-CB 3.49Å; L118-E205 VanDerWaalsContact CD1-CB 3.49Å; L118-E205 HydrophobicContact CD1-CG 3.59Å; F119-E205 HydrophobicContact CE2-CB 4.34Å; C198-E205 VanDerWaalsContact CB-O 3.27Å; C198-E205 WeakPolarHBondContact CB-O 3.45Å; S202-E205 WeakPolarHBondContact O-CB 3.21Å; S202-E205 PolarHBondContact O-N 2.86Å
206W94.9Very high89.6Confident27 Ų2745.8 Ų45.810%0.10224%0.238CC..EExtended strand (participates in β ladder)trans-111.6155.1-172.4-70.210.2000111.4I114 V115 T116 G117 L118 I152 C196 C198 R203I114-W206 HydrophobicContact CD1-CH2 3.82Å; I114-W206 HydrophobicContact CD1-CZ2 3.6Å; I114-W206 HydrophobicContact CG1-CZ2 4.2Å; I114-W206 HydrophobicContact CG2-CB 4.26Å; I114-W206 HydrophobicContact CG2-CD2 3.32Å; I114-W206 VanDerWaalsContact CG2-CE2 3.48Å; I114-W206 HydrophobicContact CG2-CE3 3.72Å; I114-W206 HydrophobicContact CG2-CG 3.58Å; I114-W206 HydrophobicContact CG2-CH2 4.32Å; I114-W206 HydrophobicContact CG2-CZ2 4Å; I114-W206 HydrophobicContact CG2-CZ3 4.2Å; V115-W206 PolarHBondContact O-N 2.87Å; T116-W206 HydrophobicContact CG2-CB 4.07Å; T116-W206 HydrophobicContact CG2-CE3 4.16Å; G117-W206 PolarHBondContact N-O 3.25Å; L118-W206 PolarHBondContact N-O 2.87Å; I152-W206 HydrophobicContact CB-CH2 4.15Å; I152-W206 HydrophobicContact CB-CZ2 4.38Å; I152-W206 HydrophobicContact CB-CZ3 4.37Å; I152-W206 HydrophobicContact CD1-CD2 4.24Å; I152-W206 HydrophobicContact CD1-CZ2 4.01Å; I152-W206 HydrophobicContact CG1-CH2 4.07Å; I152-W206 HydrophobicContact CG1-CZ2 3.8Å; I152-W206 HydrophobicContact CG2-CH2 3.72Å; I152-W206 HydrophobicContact CG2-CZ2 4.3Å; I152-W206 HydrophobicContact CG2-CZ3 4.1Å; C196-W206 HydrophobicContact CB-CB 4.32Å; C196-W206 HydrophobicContact CB-CD2 4.31Å; C196-W206 HydrophobicContact CB-CE3 3.85Å; C198-W206 HydrophobicContact CB-CG 4.41Å; R203-W206 PolarHBondContact O-NE1 3.19Å
207S95.8Very high88.7Confident0 Ų047 Ų470%024%0.244CC..EExtended strand (participates in β ladder)trans-55.6166.4166.8720000112.1G117 T120 P122 C196 G197G117-S207 PolarHBondContact N-O 3.31Å; T120-S207 WeakPolarHBondContact O-CB 3.41Å; P122-S207 WeakPolarHBondContact CD-OG 3.45Å; C196-S207 WeakPolarHBondContact CA-OG 3.41Å; G197-S207 PolarHBondContact N-OG 2.95Å; G197-S207 PolarHBondContact O-N 2.93Å
208A95.8Very high87.7Confident28 Ų2849.4 Ų49.423%0.23126%0.259CS..PPolyproline II helixtrans-56.6145.5157.200000109.4F119 K121 P122F119-A208 PolarHBondContact O-N 2.72Å; K121-A208 WeakPolarHBondContact CA-O 3.41Å; K121-A208 HydrophobicContact CB-CB 3.84Å; K121-A208 WeakPolarHBondContact CB-O 3.44Å; P122-A208 WeakPolarHBondContact CD-O 3.47Å
209P93.8Very high86.4Confident49 Ų4951.4 Ų51.432%0.31828%0.28SS..PPolyproline II helixtrans-67.9146.8177.230.5-36000111K121 Y154K121-P209 WeakPolarHBondContact CB-O 3.35Å; Y154-P209 WeakPolarHBondContact OH-CB 3.44Å
210S95.5Very high85.1Confident2 Ų254.7 Ų54.71%0.01429%0.294CS..PPolyproline II helixtrans-59.8167.8172.673.80000111.7P122 I124 R194 C195P122-S210 WeakPolarHBondContact O-CA 3.49Å; P122-S210 WeakPolarHBondContact O-CB 3.37Å; I124-S210 WeakPolarHBondContact CG2-OG 3.35Å; R194-S210 WeakPolarHBondContact CA-OG 3.32Å; R194-S210 VanDerWaalsContact CD-O 3.27Å; R194-S210 WeakPolarHBondContact CD-O 3.24Å; C195-S210 PolarHBondContact N-OG 2.93Å; C195-S210 PolarHBondContact O-N 2.96Å
211D90.8Very high83.9Confident98 Ų9855.1 Ų55.152%0.52428%0.284SS..PPolyproline II helixtrans-61.4148.6163.7-65.4-34.2000110K121 I124K121-D211 IonicContact NZ-OD1 3.06Å; K121-D211 PolarHBondContact NZ-OD1 2.87Å; K121-D211 IonicContact NZ-OD2 2.7Å; K121-D211 PolarHBondContact NZ-OD2 3.1Å; I124-D211 WeakPolarHBondContact CG2-O 3.18Å
212P88.6Confident82.9Confident64 Ų6453.2 Ų53.242%0.41627%0.274SS..PPolyproline II helixtrans-66.2140178.626-32.2000111.5A192 Y193 R194A192-P212 HydrophobicContact CB-CB 4.22Å; Y193-P212 CarbonylContact O-C 3.55Å; Y193-P212 WeakPolarHBondContact O-CA 3.39Å; R194-P212 HydrophobicContact CG-CB 4.37Å
213L86.7Confident82Confident27 Ų2758 Ų5814%0.14129%0.293CS..EExtended strand (participates in β ladder)trans-114.1110.7170.8176.863.1000110I124 A126 L140 Y193 I215I124-L213 HydrophobicContact CD1-CB 4.17Å; I124-L213 HydrophobicContact CD1-CD2 4.17Å; I124-L213 HydrophobicContact CG1-CB 4.32Å; I124-L213 HydrophobicContact CG1-CD2 3.84Å; I124-L213 HydrophobicContact CG2-CB 3.85Å; A126-L213 HydrophobicContact CB-CD2 3.98Å; L140-L213 HydrophobicContact CD2-CD2 3.96Å; Y193-L213 PolarHBondContact N-O 3.43Å; Y193-L213 PolarHBondContact O-N 3.08Å; L213-I215 HydrophobicContact CD2-CD1 4.34Å; L213-I215 HydrophobicContact CG-CD1 4.17Å; L213-I215 PolarHBondContact O-N 2.81Å
214D81.8Confident81.4Confident66 Ų6652.4 Ų52.435%0.35327%0.274SS..EExtended strand (participates in β ladder)trans-80.6117.6179.7-63.2-40.6000111.3S130 A192 Y304S130-D214 WeakPolarHBondContact CB-O 3.37Å; A192-D214 WeakPolarHBondContact CB-OD1 3.38Å; D214-Y304 HydrophobicContact CB-CE1 4.07Å; D214-Y304 VanDerWaalsContact CG-CE1 3.5Å; D214-Y304 VanDerWaalsContact CG-OH 3.26Å; D214-Y304 VanDerWaalsContact OD1-CZ 3.32Å; D214-Y304 PolarHBondContact OD1-OH 2.89Å
215I81.1Confident80.9Confident0 Ų052 Ų520%028%0.281CS..EExtended strand (participates in β ladder)trans-94.4122171.9-58-57000109.5A126 V132 L140 A190 G191 Y193 L213 I217A126-I215 HydrophobicContact CB-CD1 3.99Å; V132-I215 HydrophobicContact CG2-CG2 4.33Å; L140-I215 HydrophobicContact CD1-CG1 4.45Å; L140-I215 HydrophobicContact CD2-CD1 3.54Å; L140-I215 HydrophobicContact CD2-CG1 4.12Å; A190-I215 CarbonylContact C-O 3.53Å; A190-I215 VanDerWaalsContact CA-O 3.22Å; A190-I215 WeakPolarHBondContact CA-O 3.36Å; G191-I215 PolarHBondContact N-O 2.8Å; G191-I215 PolarHBondContact O-N 2.98Å; Y193-I215 HydrophobicContact CD2-CB 4.2Å; Y193-I215 HydrophobicContact CD2-CG1 3.63Å; Y193-I215 HydrophobicContact CE2-CB 4.02Å; Y193-I215 HydrophobicContact CE2-CG1 3.84Å; L213-I215 HydrophobicContact CD2-CD1 4.34Å; L213-I215 HydrophobicContact CG-CD1 4.17Å; L213-I215 PolarHBondContact O-N 2.81Å; I215-I217 HydrophobicContact CG2-CD1 3.8Å
216V77.8Confident80.4Confident55 Ų5550.3 Ų50.333%0.33327%0.274SS..EExtended strand (participates in β ladder)trans-112.5122.2-178.2-1780000109.3S130 L131 V132S130-V216 PolarHBondContact O-N 2.81Å; L131-V216 HydrophobicContact CD1-CB 3.88Å; L131-V216 HydrophobicContact CD1-CG1 3.74Å; V132-V216 PolarHBondContact N-O 2.96Å
217I74.2Confident79.8Confident26 Ų2651.3 Ų51.313%0.13329%0.285CS..EExtended strand (participates in β ladder)trans-100121.2-178.8-52.4-57.3000110.6V132 A134 V185 A190 I215V132-I217 HydrophobicContact CB-CD1 3.96Å; V132-I217 CarbonylContact O-C 3.57Å; V132-I217 VanDerWaalsContact O-CA 3.28Å; V132-I217 WeakPolarHBondContact O-CA 3.37Å; A134-I217 HydrophobicContact CB-CG2 4.14Å; V185-I217 HydrophobicContact CB-CD1 3.9Å; V185-I217 HydrophobicContact CG1-CD1 4.49Å; V185-I217 HydrophobicContact CG2-CD1 3.75Å; V185-I217 HydrophobicContact CG2-CG2 4.47Å; A190-I217 HydrophobicContact CB-CB 4.46Å; A190-I217 HydrophobicContact CB-CG1 3.94Å; I215-I217 HydrophobicContact CG2-CD1 3.8Å
218T70.3Confident78.8Confident51 Ų5153.1 Ų53.131%0.31330%0.296SS..EExtended strand (participates in β ladder)trans-105.8167.3178.3590000111.6L131 V132 H133 A134 K220L131-T218 HydrophobicContact CD1-CG2 3.42Å; L131-T218 VanDerWaalsContact CD1-CG2 3.42Å; L131-T218 HydrophobicContact CG-CG2 4.04Å; V132-T218 PolarHBondContact O-N 2.96Å; V132-T218 PolarHBondContact O-OG1 2.81Å; H133-T218 CarbonylContact C-O 3.56Å; A134-T218 WeakPolarHBondContact CB-O 3.31Å; A134-T218 PolarHBondContact N-O 2.84Å; T218-K220 PolarHBondContact O-N 2.73Å
219G66.1Low77.4Confident42 Ų4259.8 Ų59.843%0.43332%0.322SS..  trans76.712.1169.900000116.5H133 Y221H133-G219 WeakPolarHBondContact NE2-CA 3.14Å; G219-Y221 PolarHBondContact O-N 2.97Å
220K60.5Low75.8Confident112 Ų11260.1 Ų60.149%0.48732%0.323SS..SBendtrans-63.2-31.4173.3-172.1-171.6-179.8-178.20112.4P187 T218P187-K220 HydrophobicContact CB-CD 3.85Å; P187-K220 HydrophobicContact CG-CB 4.01Å; P187-K220 HydrophobicContact CG-CD 3.16Å; P187-K220 HydrophobicContact CG-CG 3.5Å; T218-K220 PolarHBondContact O-N 2.73Å
221Y62.3Low73.9Confident84 Ų8466.4 Ų66.433%0.32936%0.357SS..SBendtrans-126.3148.7-170.5-57.5-64.8000110.5G219 K223 I248 F250 F299G219-Y221 PolarHBondContact O-N 2.97Å; Y221-K223 PolarHBondContact O-N 2.94Å; Y221-I248 HydrophobicContact CD1-CD1 3.76Å; Y221-I248 HydrophobicContact CD1-CG2 4.33Å; Y221-I248 HydrophobicContact CG-CD1 4.18Å; Y221-F250 HydrophobicContact CD2-CE1 4.14Å; Y221-F250 HydrophobicContact CG-CE1 4.41Å; Y221-F299 HydrophobicContact CD1-CE2 4.45Å; Y221-F299 AromaticContact CD2-CD2 3.97Å; Y221-F299 HydrophobicContact CD2-CD2 3.97Å; Y221-F299 AromaticContact CD2-CE2 3.34Å; Y221-F299 HydrophobicContact CD2-CE2 3.34Å; Y221-F299 HydrophobicContact CD2-CZ 4.28Å; Y221-F299 HydrophobicContact CE1-CE2 4.2Å; Y221-F299 HydrophobicContact CE1-CZ 4.31Å; Y221-F299 AromaticContact CE2-CD2 3.38Å; Y221-F299 HydrophobicContact CE2-CD2 3.38Å; Y221-F299 AromaticContact CE2-CE2 3.01Å; Y221-F299 HydrophobicContact CE2-CE2 3.01Å; Y221-F299 HydrophobicContact CE2-CG 4.48Å; Y221-F299 AromaticContact CE2-CZ 3.87Å; Y221-F299 HydrophobicContact CE2-CZ 3.87Å; Y221-F299 HydrophobicContact CG-CE2 4.03Å; Y221-F299 AromaticContact CZ-CE2 3.47Å; Y221-F299 VanDerWaalsContact CZ-CE2 3.47Å; Y221-F299 AromaticContact CZ-CZ 3.86Å
222K64.6Low72.2Confident117 Ų11764.9 Ų64.951%0.50935%0.352SS..PPolyproline II helixtrans-57.8130173.8-166.3-179.7-173.5177.90109.1E247K222-E247 WeakPolarHBondContact CD-OE2 3.45Å; K222-E247 IonicContact NZ-OE1 3.41Å; K222-E247 PolarHBondContact NZ-OE1 2.76Å; K222-E247 IonicContact NZ-OE2 3.33Å; K222-E247 PolarHBondContact NZ-OE2 3.12Å
223K69.1Low70.5Confident111 Ų11168.4 Ų68.448%0.48337%0.365SS..PPolyproline II helixtrans-54.4142.8179.457.5173.2175.4168.20111.3Y221 E317Y221-K223 PolarHBondContact O-N 2.94Å; K223-E317 WeakPolarHBondContact CE-OE1 3.28Å; K223-E317 IonicContact NZ-OE1 3.35Å; K223-E317 PolarHBondContact NZ-OE1 3.14Å
224P74.6Confident68.9Low15 Ų1567.8 Ų67.810%0.09736%0.361CS..PPolyproline II helixtrans-68.7146.2165.929.8-32.3000110.1C244 S245P224-C244 VanDerWaalsContact CB-SG 3.58Å; P224-S245 CarbonylContact C-O 3.5Å; P224-S245 WeakPolarHBondContact CA-O 3.44Å; P224-S245 WeakPolarHBondContact CB-O 3.49Å
225S81.3Confident67.7Low56 Ų5674.1 Ų74.139%0.39238%0.38SS..EExtended strand (participates in β ladder)trans-92.8146.1171.956.80000110.6C244 S245S225-C244 CarbonylContact O-C 3.6Å; S225-C244 WeakPolarHBondContact O-CA 3.06Å; S225-S245 PolarHBondContact N-O 3.07Å; S225-S245 PolarHBondContact O-N 2.64Å; S225-S245 PolarHBondContact OG-O 3.48Å
226L83.5Confident66.4Low27 Ų2780.5 Ų80.514%0.14141%0.414CS..EExtended strand (participates in β ladder)trans-108.6126.6176.2-171.563.3000110.1L242 F243 C244 L255 C295L226-L242 HydrophobicContact CD1-CB 4.02Å; L226-F243 CarbonylContact C-O 3.56Å; L226-F243 WeakPolarHBondContact CA-O 3.31Å; L226-C244 HydrophobicContact CD1-CB 4.36Å; L226-L255 HydrophobicContact CD1-CD1 3.98Å; L226-L255 HydrophobicContact CD2-CD1 4.27Å; L226-C295 HydrophobicContact CD1-CB 4Å
227S80.9Confident65.5Low48 Ų4879.6 Ų79.634%0.33642%0.415SS..EExtended strand (participates in β ladder)trans-138.8172.5-179.563.50000112.1F243S227-F243 PolarHBondContact N-O 3.24Å; S227-F243 PolarHBondContact O-N 2.84Å
228T76Confident65.1Low37 Ų3782.3 Ų82.323%0.22743%0.427CS..EExtended strand (participates in β ladder)trans-142.2147.9-179.9162.40000108.7V230 L319T228-V230 VanDerWaalsContact C-N 3.28Å; T228-V230 WeakPolarHBondContact CG2-O 3.32Å; T228-V230 PolarHBondContact OG1-N 2.03Å; T228-V230 VanDerWaalsContact OG1-N 3.08Å; T228-V230 PolarHBondContact OG1-O 2.88Å; T228-V230 VanDerWaalsContact OG1-O 3.07Å; T228-L319 HydrophobicContact CG2-CD1 4.5Å; T228-L319 HydrophobicContact CG2-CD2 3.65Å
229Q65.4Low65.1Low169 Ų16985.8 Ų85.879%0.7944%0.438SS*.SBendtrans-76.2-19.7174.8-147.1167.52400112.8F243Q229-F243 HydrophobicContact CB-CE2 3.69Å; Q229-F243 HydrophobicContact CB-CZ 4.11Å; Q229-F243 HydrophobicContact CG-CE2 4.36Å
230V60.7Low65.4Low55 Ų5584.2 Ų84.233%0.33342%0.42SS..SBendtrans-107.6135.2-171.2-157.10000109T228T228-V230 VanDerWaalsContact C-N 3.28Å; T228-V230 WeakPolarHBondContact CG2-O 3.32Å; T228-V230 PolarHBondContact OG1-N 2.03Å; T228-V230 VanDerWaalsContact OG1-N 3.08Å; T228-V230 PolarHBondContact OG1-O 2.88Å; T228-V230 VanDerWaalsContact OG1-O 3.07Å
231D56.2Low66.3Low134 Ų13480.4 Ų80.472%0.71741%0.406SS*.  trans-52.3145.8173.7-143.1-7.2000109.8M233D231-M233 PolarHBondContact O-N 2.87Å
232P54.9Low67.2Low66 Ų6676.4 Ų76.443%0.42939%0.391SS..SBendtrans-62.15.5-172.5-23.134.1000116.7
233M52.2Low68.3Low139 Ų13972.3 Ų72.369%0.68537%0.373SS*.EExtended strand (participates in β ladder)trans-115.789.3-178.8-164.5144.363.200109.5D231D231-M233 PolarHBondContact O-N 2.87Å
234M53.9Low68.9Low14 Ų1467 Ų677%0.06935%0.35CS..EExtended strand (participates in β ladder)trans-96.8142.6-169.4-167.7174.7-179.100112.2E238 L240 A285M234-E238 HydrophobicContact CE-CB 3.28Å; M234-E238 WeakPolarHBondContact CE-O 3.34Å; M234-E238 HydrophobicContact CG-CB 4.03Å; M234-E238 WeakPolarHBondContact CG-OE2 3.34Å; M234-L240 HydrophobicContact CE-CB 3.96Å; M234-L240 HydrophobicContact SD-CB 4.17Å; M234-L240 HydrophobicContact SD-CD1 4.42Å; M234-A285 HydrophobicContact CE-CB 4.17Å; M234-A285 HydrophobicContact SD-CB 4.43Å
235R55.5Low69.4Low198 Ų19866.9 Ų66.975%0.74735%0.349SS*.PPolyproline II helixtrans-85.4148.1173.6-71.9-179.9133.3154.7-2.9110.9G237 E238R235-G237 PolarHBondContact O-N 3.25Å; R235-E238 HydrophobicContact CB-CG 4.43Å; R235-E238 PolarHBondContact N-OE2 3.5Å; R235-E238 VanDerWaalsContact N-OE2 3.1Å; R235-E238 PolarHBondContact O-N 3.43Å
236L55.5Low69.2Low134 Ų13464.5 Ų64.570%0.70233%0.332SS*.THydrogen-bonded Turntrans-55128.1178.1-168.374.4000110.4A285 T286L236-A285 WeakPolarHBondContact CD1-O 3.29Å; L236-T286 HydrophobicContact CD1-CG2 4.27Å; L236-T286 HydrophobicContact CG-CG2 4.33Å
237G58.9Low68.9Low36 Ų3669 Ų6937%0.37135%0.352SS..THydrogen-bonded Turntrans94.6-9.8178.400000117.2R235 A285R235-G237 PolarHBondContact O-N 3.25Å; G237-A285 PolarHBondContact N-O 3.16Å; G237-A285 VanDerWaalsContact N-O 3.13Å
238E64.9Low68.4Low83 Ų8369.2 Ų69.239%0.38835%0.35SS..PPolyproline II helixtrans-68.5156.2175.3-70.517615700111.4M234 R235 R284 A285M234-E238 HydrophobicContact CE-CB 3.28Å; M234-E238 WeakPolarHBondContact CE-O 3.34Å; M234-E238 HydrophobicContact CG-CB 4.03Å; M234-E238 WeakPolarHBondContact CG-OE2 3.34Å; R235-E238 HydrophobicContact CB-CG 4.43Å; R235-E238 PolarHBondContact N-OE2 3.5Å; R235-E238 VanDerWaalsContact N-OE2 3.1Å; R235-E238 PolarHBondContact O-N 3.43Å; E238-R284 WeakPolarHBondContact O-CA 3.33Å; E238-A285 PolarHBondContact O-N 3.48Å
239K69.2Low68.5Low125 Ų12570 Ų7054%0.54336%0.356SS..EExtended strand (participates in β ladder)trans-92.8118.1178.5-176.9-177.7175.7-173.80110S281K239-S281 VanDerWaalsContact CE-OG 3.22Å; K239-S281 WeakPolarHBondContact CE-OG 3.2Å; K239-S281 PolarHBondContact NZ-OG 3.02Å
240L73.3Confident68.9Low9 Ų962.3 Ų62.35%0.04732%0.32CS..EExtended strand (participates in β ladder)trans-84.6124.1177.1-178.763.1000110.2M234 L242 V282 G283 V321M234-L240 HydrophobicContact CE-CB 3.96Å; M234-L240 HydrophobicContact SD-CB 4.17Å; M234-L240 HydrophobicContact SD-CD1 4.42Å; L240-L242 HydrophobicContact CD1-CD2 4.31Å; L240-L242 HydrophobicContact CG-CD2 4.49Å; L240-L242 HydrophobicContact CG-CG 4.48Å; L240-V282 HydrophobicContact CB-CB 4.37Å; L240-V282 HydrophobicContact CD2-CB 4.26Å; L240-V282 HydrophobicContact CD2-CG2 4.41Å; L240-V282 HydrophobicContact CG-CB 4.4Å; L240-V282 HydrophobicContact CG-CG2 4.48Å; L240-V282 PolarHBondContact O-N 3.13Å; L240-G283 PolarHBondContact N-O 3.1Å; L240-G283 VanDerWaalsContact N-O 3.16Å; L240-V321 HydrophobicContact CD2-CG2 4.44Å
241T78.6Confident69.3Low32 Ų3262.5 Ų62.520%0.19632%0.319CS..EExtended strand (participates in β ladder)trans-121123.7171.4-52.30000109.2F243 N279 F280T241-F243 HydrophobicContact CG2-CD1 4.23Å; T241-F243 HydrophobicContact CG2-CE1 3.72Å; T241-F243 HydrophobicContact CG2-CZ 4.24Å; T241-N279 HydrophobicContact CG2-CB 4.42Å; T241-F280 CarbonylContact C-O 3.59Å; T241-F280 WeakPolarHBondContact CA-O 3.26Å
242L82.6Confident70.1Confident0 Ų058 Ų580%029%0.294CS..EExtended strand (participates in β ladder)trans-101.5133.8175-64.5177.3000109.5L226 L240 L255 F280 V282 Y293 L319L226-L242 HydrophobicContact CD1-CB 4.02Å; L240-L242 HydrophobicContact CD1-CD2 4.31Å; L240-L242 HydrophobicContact CG-CD2 4.49Å; L240-L242 HydrophobicContact CG-CG 4.48Å; L242-L255 HydrophobicContact CD1-CD1 3.98Å; L242-L255 HydrophobicContact CD1-CD2 3.92Å; L242-F280 PolarHBondContact N-O 3.17Å; L242-F280 PolarHBondContact O-N 2.89Å; L242-V282 HydrophobicContact CD1-CG2 3.96Å; L242-V282 HydrophobicContact CG-CG2 4.11Å; L242-Y293 HydrophobicContact CD1-CD1 3.64Å; L242-Y293 HydrophobicContact CD1-CD2 4.15Å; L242-Y293 HydrophobicContact CD1-CE1 4.22Å; L242-Y293 HydrophobicContact CD1-CG 3.6Å; L242-L319 HydrophobicContact CD2-CD2 3.86Å
243F86.2Confident71.1Confident30 Ų3054.8 Ų54.813%0.13227%0.274CS..EExtended strand (participates in β ladder)trans-106.3120.9178.7-52.7-60.9000109.6L226 S227 Q229 T241 Q277 N279L226-F243 CarbonylContact C-O 3.56Å; L226-F243 WeakPolarHBondContact CA-O 3.31Å; S227-F243 PolarHBondContact N-O 3.24Å; S227-F243 PolarHBondContact O-N 2.84Å; Q229-F243 HydrophobicContact CB-CE2 3.69Å; Q229-F243 HydrophobicContact CB-CZ 4.11Å; Q229-F243 HydrophobicContact CG-CE2 4.36Å; T241-F243 HydrophobicContact CG2-CD1 4.23Å; T241-F243 HydrophobicContact CG2-CE1 3.72Å; T241-F243 HydrophobicContact CG2-CZ 4.24Å; F243-Q277 HydrophobicContact CB-CG 4.14Å; F243-N279 HydrophobicContact CD1-CB 4.34Å; F243-N279 VanDerWaalsContact CD1-OD1 3.27Å; F243-N279 WeakPolarHBondContact CD1-OD1 3.47Å
244C83Confident72.2Confident0 Ų049 Ų490%025%0.245CC..EExtended strand (participates in β ladder)trans-105.7112.8173.8-175.50000109.7P224 S225 L226 Y253 Q277 A278 F280 C295P224-C244 VanDerWaalsContact CB-SG 3.58Å; S225-C244 CarbonylContact O-C 3.6Å; S225-C244 WeakPolarHBondContact O-CA 3.06Å; L226-C244 HydrophobicContact CD1-CB 4.36Å; C244-Y253 HydrophobicContact CB-CD1 4.34Å; C244-Q277 CarbonylContact O-C 3.5Å; C244-Q277 VanDerWaalsContact O-CA 3.28Å; C244-Q277 WeakPolarHBondContact O-CA 3.21Å; C244-A278 PolarHBondContact N-O 2.94Å; C244-A278 PolarHBondContact O-N 2.91Å; C244-F280 HydrophobicContact CB-CD2 4.4Å; C244-F280 HydrophobicContact CB-CE2 4.02Å; C244-C295 HydrophobicContact CB-CB 3.74Å; C244-C295 WeakPolarHBondContact CB-SG 3.46Å; C244-C295 WeakPolarHBondContact SG-CB 2.93Å; C244-C295 CovalentContact SG-SG 1.99Å; C244-C295 PolarHBondContact SG-SG 2.84Å
245S84.5Confident73.3Confident13 Ų1348.6 Ų48.69%0.09124%0.243CC..EExtended strand (participates in β ladder)trans-121139.8-168.3-52.70000111.3P224 S225 F276 Q277P224-S245 CarbonylContact C-O 3.5Å; P224-S245 WeakPolarHBondContact CA-O 3.44Å; P224-S245 WeakPolarHBondContact CB-O 3.49Å; S225-S245 PolarHBondContact N-O 3.07Å; S225-S245 PolarHBondContact O-N 2.64Å; S225-S245 PolarHBondContact OG-O 3.48Å; S245-F276 CarbonylContact C-O 3.54Å; S245-F276 VanDerWaalsContact CA-O 3.31Å; S245-F276 WeakPolarHBondContact CA-O 3.46Å; S245-Q277 WeakPolarHBondContact OG-CG 3.25Å; S245-Q277 PolarHBondContact OG-OE1 2.82Å
246S76.5Confident74Confident5 Ų542.6 Ų42.64%0.03522%0.222CC..EExtended strand (participates in β ladder)trans-143.5151.1174.4-174.30000111.3I248 F250 A275 F276S246-I248 WeakPolarHBondContact CB-O 3.11Å; S246-I248 PolarHBondContact O-N 3Å; S246-I248 PolarHBondContact OG-N 2.78Å; S246-I248 PolarHBondContact OG-O 3.36Å; S246-F250 WeakPolarHBondContact OG-CE2 3.29Å; S246-A275 CarbonylContact O-C 3.59Å; S246-A275 WeakPolarHBondContact O-CA 3.27Å; S246-A275 WeakPolarHBondContact O-CB 3.49Å; S246-F276 PolarHBondContact N-O 2.92Å; S246-F276 PolarHBondContact O-N 3.44Å
247E78.2Confident74.8Confident121 Ų12139.2 Ų39.257%0.56520%0.2SC*.SBendtrans-66.6-17.5169.9-70.9165.1-163.400112.1K222K222-E247 WeakPolarHBondContact CD-OE2 3.45Å; K222-E247 IonicContact NZ-OE1 3.41Å; K222-E247 PolarHBondContact NZ-OE1 2.76Å; K222-E247 IonicContact NZ-OE2 3.33Å; K222-E247 PolarHBondContact NZ-OE2 3.12Å
248I70.5Confident75.2Confident54 Ų5443.2 Ų43.228%0.27721%0.209SC..SBendtrans-113.1135.2-176.2-56.2167.7000108.8Y221 S246 F250 Y253 F276 F299Y221-I248 HydrophobicContact CD1-CD1 3.76Å; Y221-I248 HydrophobicContact CD1-CG2 4.33Å; Y221-I248 HydrophobicContact CG-CD1 4.18Å; S246-I248 WeakPolarHBondContact CB-O 3.11Å; S246-I248 PolarHBondContact O-N 3Å; S246-I248 PolarHBondContact OG-N 2.78Å; S246-I248 PolarHBondContact OG-O 3.36Å; I248-F250 WeakPolarHBondContact O-CD2 3.32Å; I248-F250 PolarHBondContact O-N 2.96Å; I248-Y253 PolarHBondContact O-OH 2.69Å; I248-F276 VanDerWaalsContact C-CD2 3.47Å; I248-F299 HydrophobicContact CG2-CZ 3.81Å
249S78.6Confident75Confident52 Ų5243.1 Ų43.136%0.36423%0.23SC..  trans-71.6110.2174172.20000109.6F299S249-F299 WeakPolarHBondContact O-CE1 3.42Å; S249-F299 VanDerWaalsContact O-CZ 3.25Å; S249-F299 WeakPolarHBondContact O-CZ 3.07Å
250F72.8Confident74.7Confident9 Ų940.3 Ų40.34%0.03922%0.223CC..  trans-90.1148.1167.2-64.5-82.4000110.6Y221 S246 I248 Q252 Y253 G297 F299Y221-F250 HydrophobicContact CD2-CE1 4.14Å; Y221-F250 HydrophobicContact CG-CE1 4.41Å; S246-F250 WeakPolarHBondContact OG-CE2 3.29Å; I248-F250 WeakPolarHBondContact O-CD2 3.32Å; I248-F250 PolarHBondContact O-N 2.96Å; F250-Q252 VanDerWaalsContact C-N 3.3Å; F250-Y253 HydrophobicContact CB-CD2 4.29Å; F250-Y253 HydrophobicContact CB-CE1 4.44Å; F250-Y253 HydrophobicContact CB-CE2 3.78Å; F250-Y253 AromaticContact CD2-CE1 3.81Å; F250-Y253 HydrophobicContact CD2-CE1 3.81Å; F250-Y253 AromaticContact CD2-CZ 3.77Å; F250-Y253 PolarHBondContact N-OH 3.36Å; F250-Y253 WeakPolarHBondContact O-CE2 2.8Å; F250-G297 VanDerWaalsContact CG-CA 3.48Å; F250-F299 AromaticContact CD1-CD2 3.78Å; F250-F299 HydrophobicContact CD1-CD2 3.78Å; F250-F299 AromaticContact CD1-CE2 3.25Å; F250-F299 HydrophobicContact CD1-CE2 3.25Å; F250-F299 AromaticContact CD1-CZ 3.79Å; F250-F299 HydrophobicContact CD1-CZ 3.79Å; F250-F299 HydrophobicContact CE1-CD2 4.18Å; F250-F299 AromaticContact CE1-CE2 3.46Å; F250-F299 HydrophobicContact CE1-CE2 3.46Å; F250-F299 VanDerWaalsContact CE1-CE2 3.46Å; F250-F299 HydrophobicContact CE1-CZ 4.18Å; F250-F299 HydrophobicContact CG-CE2 4.28Å; F250-F299 HydrophobicContact CG-CZ 4.44Å
251D70.1Confident73.3Confident58 Ų5843.6 Ų43.631%0.3125%0.252SS..SBendtrans-70.4-29.8175.6-63.2-44.6000111.9G268 S298 F299 N300D251-G268 PolarHBondContact O-N 2.85Å; D251-S298 PolarHBondContact N-O 2.94Å; D251-F299 WeakPolarHBondContact OD2-CA 3.29Å; D251-F299 WeakPolarHBondContact OD2-CB 3.48Å; D251-N300 HydrophobicContact CB-CB 4.28Å; D251-N300 PolarHBondContact OD2-N 2.68Å
252Q72.8Confident72.1Confident39 Ų3949 Ų4918%0.18227%0.274CS..EExtended strand (participates in β ladder)trans-140.5140.6176.5-55.8176.310.300110.8F250 L266 G297 S298 N300F250-Q252 VanDerWaalsContact C-N 3.3Å; Q252-L266 WeakPolarHBondContact CA-O 3.44Å; Q252-G297 CarbonylContact O-C 3.6Å; Q252-G297 WeakPolarHBondContact O-CA 3.47Å; Q252-S298 PolarHBondContact N-O 3.32Å; Q252-S298 PolarHBondContact O-N 2.89Å; Q252-N300 PolarHBondContact NE2-OD1 3.33Å; Q252-N300 VanDerWaalsContact NE2-OD1 3.17Å
253Y75.8Confident71Confident0 Ų049.7 Ų49.70%028%0.282CS..EExtended strand (participates in β ladder)trans-113.1140.2171.1-69.4-101.5000109.1C244 I248 F250 W265 L266 G269 F276 A278 F280 Y296C244-Y253 HydrophobicContact CB-CD1 4.34Å; I248-Y253 PolarHBondContact O-OH 2.69Å; F250-Y253 HydrophobicContact CB-CD2 4.29Å; F250-Y253 HydrophobicContact CB-CE1 4.44Å; F250-Y253 HydrophobicContact CB-CE2 3.78Å; F250-Y253 AromaticContact CD2-CE1 3.81Å; F250-Y253 HydrophobicContact CD2-CE1 3.81Å; F250-Y253 AromaticContact CD2-CZ 3.77Å; F250-Y253 PolarHBondContact N-OH 3.36Å; F250-Y253 WeakPolarHBondContact O-CE2 2.8Å; Y253-W265 CarbonylContact O-C 3.52Å; Y253-W265 VanDerWaalsContact O-CA 3.26Å; Y253-W265 WeakPolarHBondContact O-CA 3.34Å; Y253-L266 PolarHBondContact N-O 2.84Å; Y253-L266 PolarHBondContact O-N 2.56Å; Y253-G269 VanDerWaalsContact CE2-N 3.34Å; Y253-F276 VanDerWaalsContact OH-CB 3.28Å; Y253-F276 WeakPolarHBondContact OH-CB 3.16Å; Y253-A278 HydrophobicContact CD1-CB 4.09Å; Y253-A278 HydrophobicContact CD2-CB 3.87Å; Y253-A278 HydrophobicContact CG-CB 3.56Å; Y253-F280 WeakPolarHBondContact O-CZ 3.27Å; Y253-Y296 CarbonylContact C-O 3.58Å; Y253-Y296 WeakPolarHBondContact CA-O 3.04Å
254H74.7Confident70.2Confident18 Ų1852.7 Ų52.78%0.08330%0.297CS..EExtended strand (participates in β ladder)trans-125.8132.8-176.6-54.2-90.4000110.2F256 Q264 C295 Y296 S298H254-F256 HydrophobicContact CB-CD2 4.24Å; H254-F256 HydrophobicContact CB-CE2 3.54Å; H254-F256 HydrophobicContact CB-CZ 4.26Å; H254-Q264 CarbonylContact C-O 3.52Å; H254-Q264 WeakPolarHBondContact CA-O 3.12Å; H254-C295 CarbonylContact O-C 3.55Å; H254-C295 WeakPolarHBondContact O-CA 3.5Å; H254-C295 PolarHBondContact O-SG 3.09Å; H254-Y296 PolarHBondContact N-O 2.81Å; H254-Y296 PolarHBondContact O-N 3.37Å; H254-S298 PolarHBondContact NE2-OG 2.9Å
255L77.1Confident69.4Low5 Ų560.7 Ų60.73%0.02633%0.327CS..EExtended strand (participates in β ladder)trans-115.1122.7174.6-175.878000110L226 L242 G263 Q264 F280 V282 Y293 R294 C295L226-L255 HydrophobicContact CD1-CD1 3.98Å; L226-L255 HydrophobicContact CD2-CD1 4.27Å; L242-L255 HydrophobicContact CD1-CD1 3.98Å; L242-L255 HydrophobicContact CD1-CD2 3.92Å; L255-G263 CarbonylContact O-C 3.56Å; L255-G263 VanDerWaalsContact O-CA 3.24Å; L255-G263 WeakPolarHBondContact O-CA 3.49Å; L255-Q264 PolarHBondContact N-O 2.89Å; L255-Q264 PolarHBondContact O-N 3.07Å; L255-F280 HydrophobicContact CB-CB 4.43Å; L255-F280 HydrophobicContact CB-CD1 3.62Å; L255-F280 HydrophobicContact CB-CD2 3.95Å; L255-F280 HydrophobicContact CB-CE1 3.74Å; L255-F280 HydrophobicContact CB-CE2 4.06Å; L255-F280 HydrophobicContact CB-CG 3.73Å; L255-F280 HydrophobicContact CB-CZ 3.96Å; L255-F280 HydrophobicContact CD2-CB 3.53Å; L255-F280 HydrophobicContact CD2-CD1 4.17Å; L255-F280 HydrophobicContact CD2-CD2 4.41Å; L255-F280 HydrophobicContact CD2-CG 3.79Å; L255-F280 HydrophobicContact CG-CB 4.48Å; L255-F280 HydrophobicContact CG-CG 4.26Å; L255-V282 HydrophobicContact CD2-CG2 4.16Å; L255-Y293 HydrophobicContact CD2-CD1 4.33Å; L255-R294 WeakPolarHBondContact CA-O 3.24Å; L255-C295 HydrophobicContact CD1-CB 4.46Å
256F70.8Confident68.8Low71 Ų7163.3 Ų63.331%0.31134%0.339SS..EExtended strand (participates in β ladder)trans-117.2145177.1-66-87.8000111.4H254 Y293 R294 Y296H254-F256 HydrophobicContact CB-CD2 4.24Å; H254-F256 HydrophobicContact CB-CE2 3.54Å; H254-F256 HydrophobicContact CB-CZ 4.26Å; F256-Y293 CarbonylContact O-C 3.55Å; F256-Y293 WeakPolarHBondContact O-CA 3.19Å; F256-R294 PolarHBondContact N-O 3.09Å; F256-R294 PolarHBondContact O-N 3.27Å; F256-Y296 AromaticContact CD2-CD2 3.6Å; F256-Y296 HydrophobicContact CD2-CD2 3.6Å; F256-Y296 AromaticContact CD2-CE2 3.66Å; F256-Y296 HydrophobicContact CD2-CE2 3.66Å; F256-Y296 AromaticContact CE2-CD2 3.89Å; F256-Y296 HydrophobicContact CE2-CD2 3.89Å; F256-Y296 HydrophobicContact CE2-CE2 4.27Å
257R71.7Confident68.2Low63 Ų6367.9 Ų67.924%0.23837%0.371CS..EExtended strand (participates in β ladder)trans-112.3131.3171.5-174.8177.9172.1-115.1-10.8109.9G259 V260 P289 G290 Y293R257-G259 PolarHBondContact O-N 3.16Å; R257-V260 HydrophobicContact CB-CB 4.4Å; R257-V260 HydrophobicContact CB-CG2 4.21Å; R257-V260 HydrophobicContact CG-CG2 4.21Å; R257-V260 PolarHBondContact O-N 2.93Å; R257-V260 VanDerWaalsContact O-N 3.17Å; R257-P289 PolarHBondContact NE-O 3.4Å; R257-P289 PolarHBondContact NH2-O 2.97Å; R257-P289 VanDerWaalsContact NH2-O 3.11Å; R257-G290 PolarHBondContact NH2-O 3.33Å; R257-Y293 HydrophobicContact CB-CD1 3.96Å; R257-Y293 HydrophobicContact CB-CE1 3.84Å; R257-Y293 WeakPolarHBondContact CD-OH 3.42Å; R257-Y293 HydrophobicContact CG-CD1 4.17Å; R257-Y293 HydrophobicContact CG-CE1 3.82Å
258H67.5Low67.5Low120 Ų12063.8 Ų63.856%0.55636%0.362SS*.THydrogen-bonded Turntrans-57.8130.6177.4-164.9106.2000111V260 T292H258-V260 VanDerWaalsContact C-N 3.35Å; H258-T292 HydrophobicContact CB-CG2 4.39Å; H258-T292 WeakPolarHBondContact CB-O 3.18Å; H258-T292 PolarHBondContact N-O 3.12Å
259G60.4Low67.5Low81 Ų8162 Ų6284%0.83536%0.357SS*.THydrogen-bonded Turntrans831.9-179.600000115.4R257R257-G259 PolarHBondContact O-N 3.16Å
260V63.2Low67.4Low66 Ų6666.3 Ų66.340%0.437%0.371SS..  trans-112.4129.1173.9-175.80000109.2R257 H258 H262R257-V260 HydrophobicContact CB-CB 4.4Å; R257-V260 HydrophobicContact CB-CG2 4.21Å; R257-V260 HydrophobicContact CG-CG2 4.21Å; R257-V260 PolarHBondContact O-N 2.93Å; R257-V260 VanDerWaalsContact O-N 3.17Å; H258-V260 VanDerWaalsContact C-N 3.35Å; V260-H262 VanDerWaalsContact C-N 3.3Å; V260-H262 PolarHBondContact O-N 3.07Å
261A44.3Very low67.4Low79 Ų7975.4 Ų75.465%0.65341%0.405SS*.SBendtrans-70.5-22-175.300000114.2
262H53.4Low67.4Low144 Ų14477.7 Ų77.767%0.66741%0.414SS*.  trans-117.7124.1-176-61.787.2000110.7V260V260-H262 VanDerWaalsContact C-N 3.3Å; V260-H262 PolarHBondContact O-N 3.07Å
263G59.8Low67.4Low16 Ų1686.2 Ų86.217%0.16545%0.445CS..  trans-90.7167171.500000112.3L255L255-G263 CarbonylContact O-C 3.56Å; L255-G263 VanDerWaalsContact O-CA 3.24Å; L255-G263 WeakPolarHBondContact O-CA 3.49Å
264Q69.2Low67.3Low92 Ų9295 Ų9543%0.4349%0.486SS..EExtended strand (participates in β ladder)trans-96.7149.3168.7-69.3178.1-37.500109.4H254 L255 F280H254-Q264 CarbonylContact C-O 3.52Å; H254-Q264 WeakPolarHBondContact CA-O 3.12Å; L255-Q264 PolarHBondContact N-O 2.89Å; L255-Q264 PolarHBondContact O-N 3.07Å; Q264-F280 HydrophobicContact CB-CD1 3.97Å; Q264-F280 HydrophobicContact CB-CE1 4.2Å
265W65.3Low67.5Low169 Ų16995.4 Ų95.464%0.6449%0.492SS*.EExtended strand (participates in β ladder)trans-134.9151.8173.561.785000111.4Y253Y253-W265 CarbonylContact O-C 3.52Å; Y253-W265 VanDerWaalsContact O-CA 3.26Å; Y253-W265 WeakPolarHBondContact O-CA 3.34Å
266L71.8Confident67.8Low67 Ų6797.7 Ų97.735%0.35150%0.502SS..EExtended strand (participates in β ladder)trans-132.5135.7175.4-69.1173.1000109.3Q252 Y253 A278 N279 F280Q252-L266 WeakPolarHBondContact CA-O 3.44Å; Y253-L266 PolarHBondContact N-O 2.84Å; Y253-L266 PolarHBondContact O-N 2.56Å; L266-A278 HydrophobicContact CB-CB 4.46Å; L266-A278 HydrophobicContact CD1-CB 4.28Å; L266-N279 VanDerWaalsContact CD1-O 3.25Å; L266-N279 WeakPolarHBondContact CD1-O 3.21Å; L266-F280 HydrophobicContact CB-CE1 4.19Å; L266-F280 HydrophobicContact CB-CZ 4.19Å; L266-F280 HydrophobicContact CD1-CD1 3.85Å; L266-F280 HydrophobicContact CD1-CD2 4.37Å; L266-F280 HydrophobicContact CD1-CE1 3.78Å; L266-F280 HydrophobicContact CD1-CE2 4.3Å; L266-F280 HydrophobicContact CD1-CG 4.15Å; L266-F280 HydrophobicContact CD1-CZ 4.01Å; L266-F280 HydrophobicContact CG-CD1 4.09Å; L266-F280 HydrophobicContact CG-CE1 3.66Å; L266-F280 HydrophobicContact CG-CZ 4.08Å
267S63.8Low68.5Low101 Ų10195.7 Ų95.771%0.70649%0.494SS*.EExtended strand (participates in β ladder)trans-82.1123.3174.8-60.80000110
268G64.9Low69.2Low36 Ų3692.9 Ų92.937%0.37148%0.484SS..SBendtrans69.7140.2178.800000114.1D251D251-G268 PolarHBondContact O-N 2.85Å
269G69.4Low70.2Confident17 Ų1790.2 Ų90.218%0.17547%0.474CS..PPolyproline II helixtrans-90.8136.6168.300000110.1Y253 Q277Y253-G269 VanDerWaalsContact CE2-N 3.34Å; G269-Q277 CarbonylContact C-O 3.5Å; G269-Q277 WeakPolarHBondContact CA-O 3.21Å
270Q76Confident71.3Confident141 Ų14186.6 Ų86.666%0.65944%0.435SS*.EExtended strand (participates in β ladder)trans-71.1135.8169.1-70.6-179.1-28.900109.3H272 Q277Q270-H272 PolarHBondContact O-N 3.02Å; Q270-Q277 PolarHBondContact N-O 2.71Å; Q270-Q277 PolarHBondContact O-N 2.83Å
271R73.5Confident72.1Confident200 Ų20086 Ų8676%0.75543%0.434SS*.EExtended strand (participates in β ladder)trans-69117.9174.2-171.3176.8-179.4176.92.1108.9F276R271-F276 HydrophobicContact CB-CD1 4.38Å; R271-F276 HydrophobicContact CB-CE1 4.33Å; R271-F276 HydrophobicContact CG-CE1 4.46Å
272H69.3Low73.4Confident107 Ų10783.6 Ų83.650%0.49541%0.411SS..EExtended strand (participates in β ladder)trans-130.1105.7177.9-168.7-94.7000108.9Q270 E274 A275 Q277Q270-H272 PolarHBondContact O-N 3.02Å; H272-E274 PolarHBondContact O-N 3.08Å; H272-A275 CarbonylContact C-O 3.6Å; H272-A275 PolarHBondContact N-O 3.01Å; H272-A275 PolarHBondContact O-N 3.13Å; H272-Q277 HydrophobicContact CB-CB 4.35Å
273R74.1Confident73.8Confident218 Ų21878.2 Ų78.282%0.82339%0.394SS*.THydrogen-bonded Turntrans58.1-124.5-168.5-54.9-179179.7179.9-1112.1
274E72.6Confident73.6Confident184 Ų18486.6 Ų86.686%0.8642%0.421SS*.THydrogen-bonded Turntrans-90.65-179.6-63.6-178.9177.400113.4H272H272-E274 PolarHBondContact O-N 3.08Å
275A79.3Confident72.9Confident26 Ų2682.3 Ų82.322%0.21540%0.401CS..EExtended strand (participates in β ladder)trans-127.6157.7-179.200000112S246 H272S246-A275 CarbonylContact O-C 3.59Å; S246-A275 WeakPolarHBondContact O-CA 3.27Å; S246-A275 WeakPolarHBondContact O-CB 3.49Å; H272-A275 CarbonylContact C-O 3.6Å; H272-A275 PolarHBondContact N-O 3.01Å; H272-A275 PolarHBondContact O-N 3.13Å
276F82.9Confident72.1Confident54 Ų5478.9 Ų78.924%0.23740%0.399CS..EExtended strand (participates in β ladder)trans-96130.2168.9-61.1-87.7000108.8S245 S246 I248 Y253 R271S245-F276 CarbonylContact C-O 3.54Å; S245-F276 VanDerWaalsContact CA-O 3.31Å; S245-F276 WeakPolarHBondContact CA-O 3.46Å; S246-F276 PolarHBondContact N-O 2.92Å; S246-F276 PolarHBondContact O-N 3.44Å; I248-F276 VanDerWaalsContact C-CD2 3.47Å; Y253-F276 VanDerWaalsContact OH-CB 3.28Å; Y253-F276 WeakPolarHBondContact OH-CB 3.16Å; R271-F276 HydrophobicContact CB-CD1 4.38Å; R271-F276 HydrophobicContact CB-CE1 4.33Å; R271-F276 HydrophobicContact CG-CE1 4.46Å
277Q86.3Confident71Confident29 Ų2981.6 Ų81.614%0.13642%0.42CS..EExtended strand (participates in β ladder)trans-133133.5-170.8-174.3176.9-63.300112.1F243 C244 S245 G269 Q270 H272 N279F243-Q277 HydrophobicContact CB-CG 4.14Å; C244-Q277 CarbonylContact O-C 3.5Å; C244-Q277 VanDerWaalsContact O-CA 3.28Å; C244-Q277 WeakPolarHBondContact O-CA 3.21Å; S245-Q277 WeakPolarHBondContact OG-CG 3.25Å; S245-Q277 PolarHBondContact OG-OE1 2.82Å; G269-Q277 CarbonylContact C-O 3.5Å; G269-Q277 WeakPolarHBondContact CA-O 3.21Å; Q270-Q277 PolarHBondContact N-O 2.71Å; Q270-Q277 PolarHBondContact O-N 2.83Å; H272-Q277 HydrophobicContact CB-CB 4.35Å; Q277-N279 WeakPolarHBondContact CG-OD1 3.3Å; Q277-N279 PolarHBondContact NE2-OD1 2.92Å
278A86.3Confident70.4Confident4 Ų477.9 Ų77.93%0.03339%0.394CS..EExtended strand (participates in β ladder)trans-108.9134.1169.400000110.5C244 Y253 L266 F280C244-A278 PolarHBondContact N-O 2.94Å; C244-A278 PolarHBondContact O-N 2.91Å; Y253-A278 HydrophobicContact CD1-CB 4.09Å; Y253-A278 HydrophobicContact CD2-CB 3.87Å; Y253-A278 HydrophobicContact CG-CB 3.56Å; L266-A278 HydrophobicContact CB-CB 4.46Å; L266-A278 HydrophobicContact CD1-CB 4.28Å; A278-F280 HydrophobicContact CB-CE2 3.81Å; A278-F280 HydrophobicContact CB-CZ 4.3Å
279N88.1Confident70Confident64 Ų6478.2 Ų78.234%0.34239%0.389SS..EExtended strand (participates in β ladder)trans-108.2107-172.9-59.4-16.9000110.4T241 F243 L266 Q277T241-N279 HydrophobicContact CG2-CB 4.42Å; F243-N279 HydrophobicContact CD1-CB 4.34Å; F243-N279 VanDerWaalsContact CD1-OD1 3.27Å; F243-N279 WeakPolarHBondContact CD1-OD1 3.47Å; L266-N279 VanDerWaalsContact CD1-O 3.25Å; L266-N279 WeakPolarHBondContact CD1-O 3.21Å; Q277-N279 WeakPolarHBondContact CG-OD1 3.3Å; Q277-N279 PolarHBondContact NE2-OD1 2.92Å
280F83.1Confident69.3Low4 Ų479.2 Ų79.22%0.01840%0.399CS..EExtended strand (participates in β ladder)trans-97.7115.8-179.3-65.9-88.3000111.1T241 L242 C244 Y253 L255 Q264 L266 A278T241-F280 CarbonylContact C-O 3.59Å; T241-F280 WeakPolarHBondContact CA-O 3.26Å; L242-F280 PolarHBondContact N-O 3.17Å; L242-F280 PolarHBondContact O-N 2.89Å; C244-F280 HydrophobicContact CB-CD2 4.4Å; C244-F280 HydrophobicContact CB-CE2 4.02Å; Y253-F280 WeakPolarHBondContact O-CZ 3.27Å; L255-F280 HydrophobicContact CB-CB 4.43Å; L255-F280 HydrophobicContact CB-CD1 3.62Å; L255-F280 HydrophobicContact CB-CD2 3.95Å; L255-F280 HydrophobicContact CB-CE1 3.74Å; L255-F280 HydrophobicContact CB-CE2 4.06Å; L255-F280 HydrophobicContact CB-CG 3.73Å; L255-F280 HydrophobicContact CB-CZ 3.96Å; L255-F280 HydrophobicContact CD2-CB 3.53Å; L255-F280 HydrophobicContact CD2-CD1 4.17Å; L255-F280 HydrophobicContact CD2-CD2 4.41Å; L255-F280 HydrophobicContact CD2-CG 3.79Å; L255-F280 HydrophobicContact CG-CB 4.48Å; L255-F280 HydrophobicContact CG-CG 4.26Å; Q264-F280 HydrophobicContact CB-CD1 3.97Å; Q264-F280 HydrophobicContact CB-CE1 4.2Å; L266-F280 HydrophobicContact CB-CE1 4.19Å; L266-F280 HydrophobicContact CB-CZ 4.19Å; L266-F280 HydrophobicContact CD1-CD1 3.85Å; L266-F280 HydrophobicContact CD1-CD2 4.37Å; L266-F280 HydrophobicContact CD1-CE1 3.78Å; L266-F280 HydrophobicContact CD1-CE2 4.3Å; L266-F280 HydrophobicContact CD1-CG 4.15Å; L266-F280 HydrophobicContact CD1-CZ 4.01Å; L266-F280 HydrophobicContact CG-CD1 4.09Å; L266-F280 HydrophobicContact CG-CE1 3.66Å; L266-F280 HydrophobicContact CG-CZ 4.08Å; A278-F280 HydrophobicContact CB-CE2 3.81Å; A278-F280 HydrophobicContact CB-CZ 4.3Å
281S80.1Confident68.9Low54 Ų5473.6 Ų73.638%0.37838%0.379SS..EExtended strand (participates in β ladder)trans-85.6113.9172.1-70.30000110.2K239K239-S281 VanDerWaalsContact CE-OG 3.22Å; K239-S281 WeakPolarHBondContact CE-OG 3.2Å; K239-S281 PolarHBondContact NZ-OG 3.02Å
282V71.6Confident68.7Low29 Ų2965.3 Ų65.318%0.17635%0.351CS..EExtended strand (participates in β ladder)trans-90.5-6.3-176.1-168.70000112.4L240 L242 L255 V288 Y293L240-V282 HydrophobicContact CB-CB 4.37Å; L240-V282 HydrophobicContact CD2-CB 4.26Å; L240-V282 HydrophobicContact CD2-CG2 4.41Å; L240-V282 HydrophobicContact CG-CB 4.4Å; L240-V282 HydrophobicContact CG-CG2 4.48Å; L240-V282 PolarHBondContact O-N 3.13Å; L242-V282 HydrophobicContact CD1-CG2 3.96Å; L242-V282 HydrophobicContact CG-CG2 4.11Å; L255-V282 HydrophobicContact CD2-CG2 4.16Å; V282-V288 HydrophobicContact CG1-CG1 3.92Å; V282-Y293 HydrophobicContact CG1-CE1 3.96Å; V282-Y293 HydrophobicContact CG2-CE1 4.47Å
283G62.3Low69Low30 Ų3060.5 Ų60.531%0.30933%0.328SS..EExtended strand (participates in β ladder)trans107.4-179.8176.500000114.2L240L240-G283 PolarHBondContact N-O 3.1Å; L240-G283 VanDerWaalsContact N-O 3.16Å
284R56.1Low69Low192 Ų19252.5 Ų52.573%0.72530%0.298SS*.EExtended strand (participates in β ladder)trans-83.6133.7175.1-72.4-175.7-176.3170.50.9110.3E238 T286 V288E238-R284 WeakPolarHBondContact O-CA 3.33Å; R284-T286 VanDerWaalsContact C-N 3.29Å; R284-T286 PolarHBondContact O-N 3.46Å; R284-V288 VanDerWaalsContact C-CG2 3.44Å; R284-V288 WeakPolarHBondContact O-CG2 3.05Å
285A53.4Low69.1Low2 Ų244.5 Ų44.52%0.01726%0.262CS..SBendtrans-64.777.5-175.200000115.1M234 L236 G237 E238 V288M234-A285 HydrophobicContact CE-CB 4.17Å; M234-A285 HydrophobicContact SD-CB 4.43Å; L236-A285 WeakPolarHBondContact CD1-O 3.29Å; G237-A285 PolarHBondContact N-O 3.16Å; G237-A285 VanDerWaalsContact N-O 3.13Å; E238-A285 PolarHBondContact O-N 3.48Å; A285-V288 HydrophobicContact CB-CB 4.39Å
286T48.8Very low68.7Low97 Ų9746.3 Ų46.360%0.59526%0.264SS*.SBendtrans-155.6105.1168.850.50000111.4L236 R284L236-T286 HydrophobicContact CD1-CG2 4.27Å; L236-T286 HydrophobicContact CG-CG2 4.33Å; R284-T286 VanDerWaalsContact C-N 3.29Å; R284-T286 PolarHBondContact O-N 3.46Å
287P49.8Very low68.2Low124 Ų12444.8 Ų44.881%0.80526%0.264SS*.SBendcis-75.293.1-44.130.6-19000108.2
288V51.3Low67.3Low24 Ų2444.8 Ų44.815%0.14527%0.267CS..  trans-73.5139176.9170.40000108.9V282 R284 A285 G290V282-V288 HydrophobicContact CG1-CG1 3.92Å; R284-V288 VanDerWaalsContact C-CG2 3.44Å; R284-V288 WeakPolarHBondContact O-CG2 3.05Å; A285-V288 HydrophobicContact CB-CB 4.39Å; V288-G290 PolarHBondContact O-N 2.82Å
289P54.8Low66.4Low43 Ų4346.9 Ų46.928%0.27928%0.275SS..  trans-103.3111.3-134.339.3-33.1000107.5R257 G291 Y293R257-P289 PolarHBondContact NE-O 3.4Å; R257-P289 PolarHBondContact NH2-O 2.97Å; R257-P289 VanDerWaalsContact NH2-O 3.11Å; P289-G291 PolarHBondContact O-N 2.87Å; P289-Y293 PolarHBondContact O-OH 2.83Å; P289-Y293 VanDerWaalsContact O-OH 3.08Å
290G56.1Low65Low37 Ų3748.9 Ų48.938%0.38129%0.286SS..  trans-49.9135.6177.200000110.5R257 V288R257-G290 PolarHBondContact NH2-O 3.33Å; V288-G290 PolarHBondContact O-N 2.82Å
291G66.4Low63.3Low23 Ų2356.3 Ų56.324%0.23733%0.326CS..EExtended strand (participates in β ladder)trans168.6176.5-172.700000113.2P289P289-G291 PolarHBondContact O-N 2.87Å
292T69.9Low61.6Low26 Ų2656.9 Ų56.916%0.1633%0.33CS..EExtended strand (participates in β ladder)trans-91.5121178.4-69.40000109.6H258 T318H258-T292 HydrophobicContact CB-CG2 4.39Å; H258-T292 WeakPolarHBondContact CB-O 3.18Å; H258-T292 PolarHBondContact N-O 3.12Å; T292-T318 HydrophobicContact CG2-CG2 3.27Å; T292-T318 WeakPolarHBondContact OG1-CG2 3.08Å
293Y75.3Confident60.1Low7 Ų759.4 Ų59.43%0.02735%0.347CS..EExtended strand (participates in β ladder)trans-102148.6174.4-64.2-95.2000111.2L242 L255 F256 R257 V282 P289 V321L242-Y293 HydrophobicContact CD1-CD1 3.64Å; L242-Y293 HydrophobicContact CD1-CD2 4.15Å; L242-Y293 HydrophobicContact CD1-CE1 4.22Å; L242-Y293 HydrophobicContact CD1-CG 3.6Å; L255-Y293 HydrophobicContact CD2-CD1 4.33Å; F256-Y293 CarbonylContact O-C 3.55Å; F256-Y293 WeakPolarHBondContact O-CA 3.19Å; R257-Y293 HydrophobicContact CB-CD1 3.96Å; R257-Y293 HydrophobicContact CB-CE1 3.84Å; R257-Y293 WeakPolarHBondContact CD-OH 3.42Å; R257-Y293 HydrophobicContact CG-CD1 4.17Å; R257-Y293 HydrophobicContact CG-CE1 3.82Å; V282-Y293 HydrophobicContact CG1-CE1 3.96Å; V282-Y293 HydrophobicContact CG2-CE1 4.47Å; P289-Y293 PolarHBondContact O-OH 2.83Å; P289-Y293 VanDerWaalsContact O-OH 3.08Å; Y293-V321 HydrophobicContact CD2-CG2 4.47Å; Y293-V321 HydrophobicContact CE2-CG2 4.37Å
294R74.1Confident59.1Low50 Ų5061.6 Ų61.619%0.18935%0.346CS..EExtended strand (participates in β ladder)trans-138.5145.4176.4-62.9-170.4-175.9117.6-1.9110.8L255 F256 Y296L255-R294 WeakPolarHBondContact CA-O 3.24Å; F256-R294 PolarHBondContact N-O 3.09Å; F256-R294 PolarHBondContact O-N 3.27Å; R294-Y296 HydrophobicContact CB-CE2 3.82Å; R294-Y296 VanDerWaalsContact CD-OH 3.29Å; R294-Y296 WeakPolarHBondContact CD-OH 3.31Å
295C75.6Confident58Low15 Ų1560.7 Ų60.710%0.10135%0.348CS..EExtended strand (participates in β ladder)trans-122.7147.2175.2-172.90000113.2L226 C244 H254 L255L226-C295 HydrophobicContact CD1-CB 4Å; C244-C295 HydrophobicContact CB-CB 3.74Å; C244-C295 WeakPolarHBondContact CB-SG 3.46Å; C244-C295 WeakPolarHBondContact SG-CB 2.93Å; C244-C295 CovalentContact SG-SG 1.99Å; C244-C295 PolarHBondContact SG-SG 2.84Å; H254-C295 CarbonylContact O-C 3.55Å; H254-C295 WeakPolarHBondContact O-CA 3.5Å; H254-C295 PolarHBondContact O-SG 3.09Å; L255-C295 HydrophobicContact CD1-CB 4.46Å
296Y70.5Confident57.1Low64 Ų6463.4 Ų63.425%0.25137%0.365SS..EExtended strand (participates in β ladder)trans-137.5153178.2-52.1-88.3000110.9Y253 H254 F256 R294Y253-Y296 CarbonylContact C-O 3.58Å; Y253-Y296 WeakPolarHBondContact CA-O 3.04Å; H254-Y296 PolarHBondContact N-O 2.81Å; H254-Y296 PolarHBondContact O-N 3.37Å; F256-Y296 AromaticContact CD2-CD2 3.6Å; F256-Y296 HydrophobicContact CD2-CD2 3.6Å; F256-Y296 AromaticContact CD2-CE2 3.66Å; F256-Y296 HydrophobicContact CD2-CE2 3.66Å; F256-Y296 AromaticContact CE2-CD2 3.89Å; F256-Y296 HydrophobicContact CE2-CD2 3.89Å; F256-Y296 HydrophobicContact CE2-CE2 4.27Å; R294-Y296 HydrophobicContact CB-CE2 3.82Å; R294-Y296 VanDerWaalsContact CD-OH 3.29Å; R294-Y296 WeakPolarHBondContact CD-OH 3.31Å
297G71.8Confident56.2Low23 Ų2363 Ų6324%0.23736%0.364CS..EExtended strand (participates in β ladder)trans-117.2144.4171.400000111.4F250 Q252F250-G297 VanDerWaalsContact CG-CA 3.48Å; Q252-G297 CarbonylContact O-C 3.6Å; Q252-G297 WeakPolarHBondContact O-CA 3.47Å
298S67.1Low55.5Low28 Ų2862 Ų6220%0.19636%0.355CS..EExtended strand (participates in β ladder)trans-139.1153.5177.862.50000112.3D251 Q252 H254D251-S298 PolarHBondContact N-O 2.94Å; Q252-S298 PolarHBondContact N-O 3.32Å; Q252-S298 PolarHBondContact O-N 2.89Å; H254-S298 PolarHBondContact NE2-OG 2.9Å
299F68Low54.5Low49 Ų4966.3 Ų66.322%0.21538%0.382CS..  trans-104.5148.2175.2-67.7-89.6000111.1Y221 I248 S249 F250 D251 D301 S302Y221-F299 HydrophobicContact CD1-CE2 4.45Å; Y221-F299 AromaticContact CD2-CD2 3.97Å; Y221-F299 HydrophobicContact CD2-CD2 3.97Å; Y221-F299 AromaticContact CD2-CE2 3.34Å; Y221-F299 HydrophobicContact CD2-CE2 3.34Å; Y221-F299 HydrophobicContact CD2-CZ 4.28Å; Y221-F299 HydrophobicContact CE1-CE2 4.2Å; Y221-F299 HydrophobicContact CE1-CZ 4.31Å; Y221-F299 AromaticContact CE2-CD2 3.38Å; Y221-F299 HydrophobicContact CE2-CD2 3.38Å; Y221-F299 AromaticContact CE2-CE2 3.01Å; Y221-F299 HydrophobicContact CE2-CE2 3.01Å; Y221-F299 HydrophobicContact CE2-CG 4.48Å; Y221-F299 AromaticContact CE2-CZ 3.87Å; Y221-F299 HydrophobicContact CE2-CZ 3.87Å; Y221-F299 HydrophobicContact CG-CE2 4.03Å; Y221-F299 AromaticContact CZ-CE2 3.47Å; Y221-F299 VanDerWaalsContact CZ-CE2 3.47Å; Y221-F299 AromaticContact CZ-CZ 3.86Å; I248-F299 HydrophobicContact CG2-CZ 3.81Å; S249-F299 WeakPolarHBondContact O-CE1 3.42Å; S249-F299 VanDerWaalsContact O-CZ 3.25Å; S249-F299 WeakPolarHBondContact O-CZ 3.07Å; F250-F299 AromaticContact CD1-CD2 3.78Å; F250-F299 HydrophobicContact CD1-CD2 3.78Å; F250-F299 AromaticContact CD1-CE2 3.25Å; F250-F299 HydrophobicContact CD1-CE2 3.25Å; F250-F299 AromaticContact CD1-CZ 3.79Å; F250-F299 HydrophobicContact CD1-CZ 3.79Å; F250-F299 HydrophobicContact CE1-CD2 4.18Å; F250-F299 AromaticContact CE1-CE2 3.46Å; F250-F299 HydrophobicContact CE1-CE2 3.46Å; F250-F299 VanDerWaalsContact CE1-CE2 3.46Å; F250-F299 HydrophobicContact CE1-CZ 4.18Å; F250-F299 HydrophobicContact CG-CE2 4.28Å; F250-F299 HydrophobicContact CG-CZ 4.44Å; D251-F299 WeakPolarHBondContact OD2-CA 3.29Å; D251-F299 WeakPolarHBondContact OD2-CB 3.48Å; F299-D301 VanDerWaalsContact C-N 3.31Å; F299-D301 PolarHBondContact O-N 3.01Å; F299-S302 VanDerWaalsContact O-CB 3.23Å; F299-S302 WeakPolarHBondContact O-CB 3.3Å; F299-S302 PolarHBondContact O-N 3.22Å; F299-S302 VanDerWaalsContact O-N 3.14Å
300N57.8Low53.3Low105 Ų10575.7 Ų75.756%0.56141%0.412SS*.THydrogen-bonded Turntrans-65.8-32.6177.8-73.4-25.2000112D251 Q252 S302D251-N300 HydrophobicContact CB-CB 4.28Å; D251-N300 PolarHBondContact OD2-N 2.68Å; Q252-N300 PolarHBondContact NE2-OD1 3.33Å; Q252-N300 VanDerWaalsContact NE2-OD1 3.17Å; N300-S302 PolarHBondContact O-N 2.78Å
301D47.8Very low52Low161 Ų16176.6 Ų76.686%0.86141%0.412SS*.THydrogen-bonded Turntrans-826.6174.9-75-19.9000113.3F299F299-D301 VanDerWaalsContact C-N 3.31Å; F299-D301 PolarHBondContact O-N 3.01Å
302S45.8Very low50Low65 Ų6583 Ų8346%0.45544%0.441SS..SBendtrans-76.7122.6165.4-151.10000107.5F299 N300 Y304F299-S302 VanDerWaalsContact O-CB 3.23Å; F299-S302 WeakPolarHBondContact O-CB 3.3Å; F299-S302 PolarHBondContact O-N 3.22Å; F299-S302 VanDerWaalsContact O-N 3.14Å; N300-S302 PolarHBondContact O-N 2.78Å; S302-Y304 PolarHBondContact O-N 2.88Å
303P39Very low48.1Very low83 Ų8385.6 Ų85.654%0.53945%0.45SS..SBendtrans-64.83-169.621-30.3000115.2A190A190-P303 HydrophobicContact CB-CG 4.33Å
304Y42.6Very low46.1Very low76 Ų7691.4 Ų91.430%0.29849%0.486SS..  trans-136.5118.9177.2-64-91.4000110.9A192 D214 S302A192-Y304 PolarHBondContact N-OH 2.73Å; D214-Y304 HydrophobicContact CB-CE1 4.07Å; D214-Y304 VanDerWaalsContact CG-CE1 3.5Å; D214-Y304 VanDerWaalsContact CG-OH 3.26Å; D214-Y304 VanDerWaalsContact OD1-CZ 3.32Å; D214-Y304 PolarHBondContact OD1-OH 2.89Å; S302-Y304 PolarHBondContact O-N 2.88Å
305K32.9Very low44.1Very low173 Ų17392.7 Ų92.775%0.75250%0.501SS*.PPolyproline II helixtrans-62.6128.5148.8-75.1179.2177.1177.40106.6P307K305-P307 WeakPolarHBondContact O-CD 3.27Å
306P34.6Very low42.7Very low59 Ų5999.7 Ų99.738%0.38353%0.532SS..PPolyproline II helixtrans-58.3126.6174.522.2-30000108.7V308P306-V308 PolarHBondContact O-N 3.11Å
307P29.7Very low41.5Very low89 Ų89100.7 Ų100.758%0.57854%0.539SS*.PPolyproline II helixtrans-60.6134.7168.424.1-29.2000107.6K305 T309K305-P307 WeakPolarHBondContact O-CD 3.27Å; P307-T309 PolarHBondContact O-N 2.89Å
308V35Very low40.3Very low101 Ų101102.7 Ų102.761%0.61255%0.547SS*.SBendtrans-68.822.2-179.8-172.70000111.6P306P306-V308 PolarHBondContact O-N 3.11Å
309T30.5Very low39.3Very low115 Ų115103.4 Ų103.471%0.70655%0.548SS*.SBendtrans-127.6100.7-173.470000110.1P307P307-T309 PolarHBondContact O-N 2.89Å
310R29.4Very low38.2Very low240 Ų240110 Ų11091%0.90657%0.572SS**  trans48.681.3170.2-77-172.9-174.8-173.72.4115.3
311C27.6Very low37.9Very low57 Ų57106 Ų10639%0.38555%0.551SS.*  trans-82.3115.2154.7-56.20000110.2F313C311-F313 HydrophobicContact CB-CD1 4.11Å; C311-F313 HydrophobicContact CB-CD2 3.23Å; C311-F313 HydrophobicContact CB-CE1 3.82Å; C311-F313 HydrophobicContact CB-CE2 2.91Å; C311-F313 HydrophobicContact CB-CG 3.84Å; C311-F313 HydrophobicContact CB-CZ 3.23Å; C311-F313 PolarHBondContact O-N 3.07Å; C311-F313 VanDerWaalsContact O-N 3.1Å; C311-F313 WeakPolarHBondContact SG-CE2 3.25Å; C311-F313 WeakPolarHBondContact SG-CZ 3.36Å
312N24.3Very low37.6Very low157 Ų157104.4 Ų104.484%0.8454%0.542SS*.  trans-77.281.7158.2-80.8-11.8000108
313F31.5Very low37.2Very low81 Ų81105 Ų10536%0.35554%0.539SS..PPolyproline II helixtrans-82.9129.1171.8-65.5-60.6000110.1C311C311-F313 HydrophobicContact CB-CD1 4.11Å; C311-F313 HydrophobicContact CB-CD2 3.23Å; C311-F313 HydrophobicContact CB-CE1 3.82Å; C311-F313 HydrophobicContact CB-CE2 2.91Å; C311-F313 HydrophobicContact CB-CG 3.84Å; C311-F313 HydrophobicContact CB-CZ 3.23Å; C311-F313 PolarHBondContact O-N 3.07Å; C311-F313 VanDerWaalsContact O-N 3.1Å; C311-F313 WeakPolarHBondContact SG-CE2 3.25Å; C311-F313 WeakPolarHBondContact SG-CZ 3.36Å
314T31.8Very low37Very low129 Ų129105 Ų10579%0.79154%0.541SS*.PPolyproline II helixtrans-61.4134.7165.438.30000109.4
315P32.2Very low36.7Very low76 Ų76109.5 Ų109.549%0.49456%0.564SS.*PPolyproline II helixtrans-77.3140.6-165.629.3-33.1000111.4
316Q46Very low36.6Very low163 Ų163106.1 Ų106.176%0.76256%0.562SS**  trans-158.3131155.9-105.4148.630.100112.1
317E46.8Very low36.6Very low85 Ų85112.3 Ų112.340%0.39759%0.586SS.*  trans65.8122.8-164.4-76170-146.800115.4K223K223-E317 WeakPolarHBondContact CE-OE1 3.28Å; K223-E317 IonicContact NZ-OE1 3.35Å; K223-E317 PolarHBondContact NZ-OE1 3.14Å
318T46.1Very low36.7Very low65 Ų65115.2 Ų115.240%0.39960%0.597SS.*  trans-144.6108.8-172.8-74.30000106.7T292 R320T292-T318 HydrophobicContact CG2-CG2 3.27Å; T292-T318 WeakPolarHBondContact OG1-CG2 3.08Å; T318-R320 HydrophobicContact CG2-CG 4.23Å
319L45.9Very low36.9Very low43 Ų43115.4 Ų115.423%0.22560%0.6CS.*EExtended strand (participates in β ladder)trans-87.2121.5168.4-167.776.7000107.8T228 L242 V321T228-L319 HydrophobicContact CG2-CD1 4.5Å; T228-L319 HydrophobicContact CG2-CD2 3.65Å; L242-L319 HydrophobicContact CD2-CD2 3.86Å; L319-V321 HydrophobicContact CD2-CG2 4.27Å
320R46.1Very low36.9Very low188 Ų188116 Ų11671%0.70961%0.606SS**EExtended strand (participates in β ladder)trans-94.7117.7170.3-70.7-172.7-179.6-161.51.2108.4T318T318-R320 HydrophobicContact CG2-CG 4.23Å
321V49.9Very low37.2Very low21 Ų21111.9 Ų111.913%0.12760%0.601CS.*EExtended strand (participates in β ladder)trans-95.8118171.5-175.20000107.8L240 Y293 L319L240-V321 HydrophobicContact CD2-CG2 4.44Å; Y293-V321 HydrophobicContact CD2-CG2 4.47Å; Y293-V321 HydrophobicContact CE2-CG2 4.37Å; L319-V321 HydrophobicContact CD2-CG2 4.27Å
322L41.5Very low37.3Very low126 Ų126116 Ų11666%0.6662%0.619SS**EExtended strand (participates in β ladder)trans-98.6136.4177.6-69.3169.3000109.5
323L38.5Very low37.6Very low77 Ų77116.5 Ų116.540%0.40362%0.621SS.*EExtended strand (participates in β ladder)trans-101.8124.5175.2-69.9165.2000109.1
324C34.2Very low37.4Very low85 Ų85118.7 Ų118.757%0.57464%0.641SS**PPolyproline II helixtrans-93.9118169.8-75.80000109.5
325H35.8Very low37.9Very low169 Ų169118.1 Ų118.178%0.78264%0.639SS**  trans-83.4114.2164.3-81.8-70.5000109Q327H325-Q327 PolarHBondContact O-N 3.14Å
326S31.6Very low38.1Very low103 Ų103119.3 Ų119.372%0.7265%0.647SS**  trans-77112.5167.21680000109
327Q34.9Very low37.2Very low189 Ų189122.5 Ų122.588%0.88365%0.652SS**  trans-117129.6142.6-74.6-1772.200105.8H325H325-Q327 PolarHBondContact O-N 3.14Å
328N30.8Very low36.4Very low150 Ų150126 Ų12680%0.80267%0.669SS**PPolyproline II helixtrans-57.5157.5-170.6-91.6-22.1000113.9
329P39.2Very low35.9Very low105 Ų105128.7 Ų128.768%0.68269%0.685SS**PPolyproline II helixtrans-88.8164.8-15737-35.1000113.1
330P31.1Very low35Very low127 Ų127135.8 Ų135.883%0.82572%0.717SS**PPolyproline II helixtrans-80.1137.9151.6142.7000110.2
331L35.1Very low34.2Very low154 Ų154132.1 Ų132.181%0.80672%0.721SS**PPolyproline II helixtrans-52.5161.7169.5-80.2120.5000113.8
332N30.9Very low34.3Very low143 Ų143136.4 Ų136.477%0.76575%0.749SS**  trans90.6102.3165.3-59.6-19.4000115.8
333L29.5Very low33.7Very low168 Ų168142.3 Ų142.388%0.8876%0.762SS**  -163.4129.893.2-89.2159.1000109.4
334T28.4Very low33.6Very low127 Ų127148.6 Ų148.678%0.77979%0.787SS**  trans-55.8142.6173.130.80000112.7
335P41.1Very low33.5Very low116 Ų116149.5 Ų149.575%0.75380%0.8SS**  trans-79.9159.4169.337.2-33.2000109.3
336P37.3Very low33.3Very low102 Ų102149.8 Ų149.866%0.66281%0.807SS**  -154.9170.195.838.8-17.1000112.2
337W27.3Very low33.3Very low229 Ų229148.9 Ų148.987%0.86781%0.814SS**  cis-156.8157.431.8-92.592.5000110.4
338Q29.8Very low33.1Very low158 Ų158150.4 Ų150.474%0.73881%0.812SS**  trans-63.9155.9166.1-71.7170.6-58.900113.6
339T34.5Very low33.1Very low122 Ų122150.4 Ų150.475%0.74881%0.809SS**  trans56.3121.1144.644.30000119.9
340Q27.7Very low32.7Very low192 Ų192154.4 Ų154.490%0.89782%0.816SS**  -178.4127.7118.2-98166.725.900111.9
341S29.8Very low32.7Very low111 Ų111159.5 Ų159.578%0.77682%0.819SS**  trans-91.7176.1144.1-28.50000107.5
342P50.7Low32.5Very low112 Ų112157.9 Ų157.973%0.72782%0.82SS**  cis-130.8173-25.537.6-21.5000112.2
343R28.9Very low32.7Very low249 Ų249157.9 Ų157.994%0.9482%0.819SS**  trans175.3142.6133.9-98171.5-157-150.46.5114.3
344K38Very low33Very low210 Ų210159.4 Ų159.491%0.91382%0.822SS**  trans-62.2151.4170.1-69.9170.4171.2174.60112.7
345A31.7Very low33.4Very low104 Ų104159.9 Ų159.986%0.8682%0.815SS**  trans-151.2131.9143.200000111.2
346N31.9Very low33.1Very low174 Ų174164.4 Ų164.493%0.9382%0.823SS**  trans-64.5151.5174.6-78.4-35.2000112.6
347G31.6Very low32.9Very low84 Ų84168.6 Ų168.687%0.86683%0.826SS**  trans-158.1106.2164.400000111.3
348R30.4Very low33.3Very low222 Ų222164.3 Ų164.384%0.83882%0.815SS**  trans-94.5160.5-174.4-166.7-176.4-164.4177.24.7110
349M29.5Very low33.6Very low149 Ų149164.9 Ų164.973%0.73481%0.811SS**  trans80.4137.1154.9-101.9175.6-156.400115.9
350K31.9Very low33.6Very low189 Ų189168.3 Ų168.382%0.82281%0.81SS**  cis-156.4158.334.8-103.2166.9-171.5178.70112.5
351R31.4Very low34Very low235 Ų235163.2 Ų163.289%0.88780%0.795SS**  trans-62.4152.6167.6-63.1168.4175.4-178.9-3.6113
352S31.3Very low34.1Very low120 Ų120168.8 Ų168.884%0.83980%0.801SS**  trans-154120.8130.353.10000111.3
353L34Very low33.4Very low143 Ų143171.6 Ų171.675%0.74981%0.806SS**  trans-71.8142.6159.9-87.888.7000108.5
354Q36.6Very low34.7Very low199 Ų199164.7 Ų164.793%0.9379%0.794SS**  -147.5113.3127.4-98.7-146.2-19.300113.1
355Q35.3Very low35.2Very low138 Ų138164.2 Ų164.265%0.64582%0.817SS**  trans-51139.9159.5-168.617323.200113.8
356K35.7Very low35.4Very low211 Ų211167.3 Ų167.392%0.91782%0.815SS**  trans-146.9110.1140.7-119.5175.7-174.7177.40111.8
357R33.5Very low35.6Very low189 Ų189166.9 Ų166.971%0.71381%0.809SS**  trans-54.7152161-76.3169.6158.9175.3-3.4109.9
358H35.6Very low35.8Very low140 Ų140171.5 Ų171.565%0.64881%0.806SS**  165.3156.678.2-111.1-29.9000105.3
359R35.8Very low36.1Very low170 Ų170168.5 Ų168.564%0.64280%0.804SS**  cis-173.5148.212.1-140170.7-169.9-160.84.5107.4
360R35Very low36.5Very low194 Ų194169.8 Ų169.873%0.73281%0.808SS**  trans59.3111.4135.4-86.9-180-171.9-169.4-1.5119.1
361S35.7Very low36.8Very low85 Ų85168.5 Ų168.559%0.59481%0.807SS**  97.8123.267.260.90000111.7
362Y32.6Very low37.2Very low228 Ų228163.7 Ų163.789%0.89480%0.802SS**  170.1121.9123.2-102.6-86.3000109.9
363M35.6Very low37.7Very low170 Ų170167.1 Ų167.184%0.83780%0.799SS**  trans-86.4-176.1158.2-92.2-90.1-17100108.1
364P56.7Low38Very low104 Ų104169.1 Ų169.168%0.67580%0.803SS**  cis-132.2177-27.729.9-10.1000112
365S48.1Very low38.1Very low201 Ų201166.4 Ų166.4100%1.40679%0.791SS**  trans-162.80133.3-70.90000108.7

Retrieved 365 of 365 residues in 997.1 ms (Link to these results)