A0A077ZIE1_TRITR Loading...

Abnormal cell migration protein 18-like fibronectin type I domain-containing protein

AlphaFold DB , UniProt , Accession A0A077ZIE1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 354 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
1M38.4Very low38.3Very low234 Ų234160.4 Ų160.4100%1.15385%0.852SS**  0131.30-71.8178.3-173.500108.2
2Q38.4Very low37.9Very low178 Ų178152.1 Ų152.183%0.83283%0.834SS**  trans54.5102.8157.7-65.7168.1-28.900117.1
3W33.7Very low37.8Very low251 Ų251148.4 Ų148.495%0.95182%0.824SS**  3510775.7-84.850.9000114.8
4L41Very low37.6Very low153 Ų153151.6 Ų151.680%0.80183%0.826SS**  trans-160.975.4151.4-100157.1000109V6L4-V6 HydrophobicContact CB-CG2 4.47Å; L4-V6 HydrophobicContact CD2-CG2 3.63Å; L4-V6 PolarHBondContact O-N 2.78Å
5A40.7Very low37.6Very low96 Ų96151.6 Ų151.679%0.79382%0.817SS**  trans-76.394.5156.400000107L7A5-L7 PolarHBondContact O-N 2.94Å
6V39.3Very low37.6Very low115 Ų115149.1 Ų149.170%0.69781%0.808SS**  trans-79.3110.6177.6176.20000108.9L4 L8L4-V6 HydrophobicContact CB-CG2 4.47Å; L4-V6 HydrophobicContact CD2-CG2 3.63Å; L4-V6 PolarHBondContact O-N 2.78Å; V6-L8 PolarHBondContact O-N 3.25Å
7L38.8Very low37.7Very low147 Ų147145.6 Ų145.677%0.7780%0.798SS**  trans-45.6119.9168.6-92.2115.8000112.9A5A5-L7 PolarHBondContact O-N 2.94Å
8L36.4Very low38.2Very low173 Ų173139.6 Ų139.691%0.90677%0.766SS**  trans-93.575.8161.4-79.7167.5000110V6V6-L8 PolarHBondContact O-N 3.25Å
9I40.4Very low38.6Very low150 Ų150136.2 Ų136.277%0.76976%0.758SS**  trans-14684.3163-49.2177.4000109.5
10A34.7Very low39.5Very low101 Ų101133.9 Ų133.984%0.83574%0.741SS**  trans-141.948.6163.100000110.5G12A10-G12 PolarHBondContact O-N 3.23Å
11L39.8Very low40.8Very low166 Ų166129.5 Ų129.587%0.86972%0.72SS**  trans-76.884.9155.6-89.6152.9000106.6C13L11-C13 PolarHBondContact O-N 3.5Å
12G33.6Very low42.7Very low61 Ų61122.7 Ų122.763%0.62969%0.685SS**  trans-58.391.616400000108.5A10 F14A10-G12 PolarHBondContact O-N 3.23Å; G12-F14 VanDerWaalsContact C-N 3.31Å; G12-F14 PolarHBondContact O-N 2.78Å
13C35.8Very low45.1Very low104 Ų104118.6 Ų118.670%0.70367%0.665SS**  trans-62.5100.7164.1-70.90000106.6L11 H15L11-C13 PolarHBondContact O-N 3.5Å; C13-H15 PolarHBondContact O-N 3.25Å
14F34.9Very low47.6Very low194 Ų194107 Ų10785%0.85162%0.622SS**  trans-46.7107.9164-81.7-93.5000108.3G12 V16G12-F14 VanDerWaalsContact C-N 3.31Å; G12-F14 PolarHBondContact O-N 2.78Å; F14-V16 HydrophobicContact CB-CG2 4.27Å; F14-V16 PolarHBondContact O-N 3.24Å
15H38Very low49.9Very low151 Ų151104.3 Ų104.370%0.69961%0.608SS**  trans-65.481.6160.8-82.7-78.5000106.9C13 S17C13-H15 PolarHBondContact O-N 3.25Å; H15-S17 PolarHBondContact O-N 2.63Å
16V37.8Very low52.3Low112 Ų112101.5 Ų101.568%0.67958%0.581SS**  trans-69.693.3162.71800000105.3F14 T18F14-V16 HydrophobicContact CB-CG2 4.27Å; F14-V16 PolarHBondContact O-N 3.24Å; V16-T18 VanDerWaalsContact C-N 3.33Å; V16-T18 HydrophobicContact CG1-CG2 4.18Å; V16-T18 PolarHBondContact O-N 3.27Å
17S39.5Very low54.9Low90 Ų9099.4 Ų99.463%0.62956%0.562SS**  trans-60.397.5168.7-55.10000107.4H15 A19H15-S17 PolarHBondContact O-N 2.63Å; S17-A19 PolarHBondContact O-N 2.9Å
18T46.7Very low57.6Low36 Ų3695.9 Ų95.922%0.22155%0.547CS..  trans-74.4114.4179.543.20000108.8V16 H20V16-T18 VanDerWaalsContact C-N 3.33Å; V16-T18 HydrophobicContact CG1-CG2 4.18Å; V16-T18 PolarHBondContact O-N 3.27Å; T18-H20 PolarHBondContact O-N 3.29Å
19A45.5Very low60.5Low75 Ų7589 Ų8962%0.6251%0.513SS*.  trans-53.8127.9172.100000109S17 S21S17-A19 PolarHBondContact O-N 2.9Å; A19-S21 PolarHBondContact O-N 3.4Å
20H57.6Low63.2Low91 Ų9183.9 Ų83.942%0.42149%0.489SS..SBendtrans-65.1-17.4-162.9-146.859.9000114.3T18 V204T18-H20 PolarHBondContact O-N 3.29Å; H20-V204 WeakPolarHBondContact ND1-CG1 2.99Å
21S65.8Low66.2Low41 Ų4179.6 Ų79.629%0.28745%0.453SS..EExtended strand (participates in β ladder)trans-164.7103.9179.8-1670000111.6A19 K23 Q201 I202A19-S21 PolarHBondContact O-N 3.4Å; S21-K23 WeakPolarHBondContact OG-CE 3.25Å; S21-K23 WeakPolarHBondContact OG-CG 3.02Å; S21-Q201 PolarHBondContact OG-OE1 2.83Å; S21-I202 WeakPolarHBondContact CA-O 3.41Å
22E79.1Confident68.9Low91 Ų9174.8 Ų74.843%0.42542%0.424SS..EExtended strand (participates in β ladder)trans-71.8135.9155.4-72-171.8-168.300107.9S151 F152 Q201 I202E22-S151 WeakPolarHBondContact OE2-CB 3.48Å; E22-S151 PolarHBondContact OE2-OG 2.91Å; E22-F152 HydrophobicContact CB-CE2 3.96Å; E22-F152 HydrophobicContact CB-CZ 3.75Å; E22-F152 VanDerWaalsContact O-CZ 3.29Å; E22-F152 WeakPolarHBondContact O-CZ 3.17Å; E22-Q201 WeakPolarHBondContact O-CA 3.39Å; E22-Q201 VanDerWaalsContact O-CB 3.28Å; E22-Q201 WeakPolarHBondContact O-CB 3.33Å; E22-I202 PolarHBondContact O-N 2.89Å; E22-I202 VanDerWaalsContact O-N 3.12Å
23K88Confident71.9Confident93 Ų9374.4 Ų74.440%0.40441%0.406SS..EExtended strand (participates in β ladder)trans-130.9142.8179.4-51.6-174.1-175.9-175.20109.8S21 Y195 V200 Q201S21-K23 WeakPolarHBondContact OG-CE 3.25Å; S21-K23 WeakPolarHBondContact OG-CG 3.02Å; K23-Y195 HydrophobicContact CB-CD1 4.33Å; K23-Y195 HydrophobicContact CD-CD1 3.89Å; K23-Y195 HydrophobicContact CD-CD2 3.95Å; K23-Y195 HydrophobicContact CD-CE1 3.68Å; K23-Y195 HydrophobicContact CD-CE2 3.76Å; K23-Y195 HydrophobicContact CD-CG 4Å; K23-V200 WeakPolarHBondContact CA-O 2.89Å; K23-Q201 HydrophobicContact CB-CB 4.41Å; K23-Q201 HydrophobicContact CG-CB 3.87Å
24C86.5Confident74.6Confident8 Ų872.1 Ų72.15%0.05438%0.383CS..EExtended strand (participates in β ladder)trans-137.2124.2172.8-163.70000110.8F152 F154 G199 V200C24-F152 HydrophobicContact CB-CB 4.41Å; C24-F152 HydrophobicContact CB-CD2 3.4Å; C24-F152 HydrophobicContact CB-CE2 3.78Å; C24-F152 HydrophobicContact CB-CG 3.9Å; C24-F154 HydrophobicContact CB-CE2 4.22Å; C24-F154 HydrophobicContact CB-CZ 3.93Å; C24-F154 VanDerWaalsContact SG-CZ 3.58Å; C24-G199 WeakPolarHBondContact O-CA 3.15Å; C24-V200 HydrophobicContact CB-CG1 4.47Å; C24-V200 PolarHBondContact N-O 3.41Å; C24-V200 PolarHBondContact O-N 2.63Å
25L89Confident77.3Confident96 Ų9668.9 Ų68.950%0.50337%0.37SS..  trans-83.2148.9176.9-64.8175.6000111R149 Y195L25-R149 PolarHBondContact O-NH1 3.16Å; L25-R149 VanDerWaalsContact O-NH1 3.1Å; L25-Y195 HydrophobicContact CD2-CD1 4.21Å; L25-Y195 HydrophobicContact CD2-CE1 4.34Å
26T90.7Very high79.6Confident37 Ų3763.1 Ų63.123%0.22734%0.342CS..  trans-61.1155.1167.854.60000110.2H165 G198T26-H165 WeakPolarHBondContact CB-O 3.38Å; T26-H165 VanDerWaalsContact CG2-O 3.24Å; T26-H165 WeakPolarHBondContact CG2-O 3.42Å; T26-G198 WeakPolarHBondContact CG2-O 3.43Å
27K94Very high81.7Confident71 Ų7161.7 Ų61.731%0.30934%0.337SS..  trans-122.6140.6171.6-61-64.6179.2-175.90106.9W114 F115 I164 H165K27-W114 HydrophobicContact CB-CB 4.23Å; K27-W114 HydrophobicContact CB-CG 4.28Å; K27-W114 HydrophobicContact CD-CG 4.28Å; K27-W114 HydrophobicContact CG-CB 4.28Å; K27-W114 HydrophobicContact CG-CD2 4.29Å; K27-W114 HydrophobicContact CG-CG 3.81Å; K27-F115 HydrophobicContact CB-CE2 4.14Å; K27-F115 HydrophobicContact CB-CZ 4.06Å; K27-I164 CarbonylContact O-C 3.39Å; K27-I164 WeakPolarHBondContact O-CA 3.43Å; K27-H165 HydrophobicContact CB-CB 4.3Å; K27-H165 PolarHBondContact O-N 2.91Å
28T95.4Very high83.4Confident73 Ų7364.2 Ų64.245%0.44834%0.337SS..EExtended strand (participates in β ladder)trans-135.1142.5178.6-600000108.2V163 I164T28-V163 WeakPolarHBondContact CA-O 3.24Å; T28-I164 HydrophobicContact CG2-CG1 3.97Å
29S97.3Very high85.1Confident28 Ų2866.8 Ų66.820%0.19635%0.349CS..EExtended strand (participates in β ladder)trans-148.5173.8168.4-158.90000110.3Y117 Q162 V163S29-Y117 PolarHBondContact OG-OH 3.5Å; S29-Q162 CarbonylContact O-C 3.58Å; S29-Q162 WeakPolarHBondContact O-CA 3.39Å; S29-V163 PolarHBondContact N-O 3.29Å; S29-V163 PolarHBondContact O-N 3.13Å
30T97.8Very high86.7Confident43 Ų4365.7 Ų65.726%0.26433%0.33SS..EExtended strand (participates in β ladder)trans-126.8142-172.8-46.40000110.4Y32 Y117 D161 Q162T30-Y32 WeakPolarHBondContact O-CE2 3.2Å; T30-Y117 WeakPolarHBondContact O-CE1 3.46Å; T30-Y117 PolarHBondContact O-OH 2.75Å; T30-Y117 VanDerWaalsContact O-OH 3.05Å; T30-D161 CarbonylContact C-O 3.5Å; T30-D161 VanDerWaalsContact CA-O 3.31Å; T30-D161 WeakPolarHBondContact CA-O 3.45Å; T30-D161 HydrophobicContact CG2-CB 3.91Å; T30-Q162 HydrophobicContact CG2-CG 4.34Å
31S97.4Very high87.8Confident11 Ų1166.4 Ų66.48%0.07734%0.336CS..  trans-81151.7167.2-62.30000110.1L128 I130 D161S31-L128 WeakPolarHBondContact CA-O 3.25Å; S31-I130 PolarHBondContact OG-N 2.55Å; S31-D161 PolarHBondContact N-O 2.82Å
32Y97.3Very high88.7Confident64 Ų6473.2 Ų73.225%0.25136%0.364SS..EExtended strand (participates in β ladder)trans-124.7144.3-179.1-54.5-83.9000110.2T30 Y77 G127 L128T30-Y32 WeakPolarHBondContact O-CE2 3.2Å; Y32-Y77 HydrophobicContact CD1-CD1 4.41Å; Y32-Y77 AromaticContact CD1-CD2 3.77Å; Y32-Y77 HydrophobicContact CD1-CD2 3.77Å; Y32-Y77 HydrophobicContact CD1-CE1 4.08Å; Y32-Y77 AromaticContact CD1-CE2 3.39Å; Y32-Y77 HydrophobicContact CD1-CE2 3.39Å; Y32-Y77 HydrophobicContact CD1-CG 4.26Å; Y32-Y77 AromaticContact CD1-CZ 3.56Å; Y32-Y77 AromaticContact CD2-CD1 3.77Å; Y32-Y77 HydrophobicContact CD2-CD1 3.77Å; Y32-Y77 HydrophobicContact CD2-CD2 4.47Å; Y32-Y77 AromaticContact CD2-CE1 3.73Å; Y32-Y77 HydrophobicContact CD2-CE1 3.73Å; Y32-Y77 HydrophobicContact CD2-CE2 4.45Å; Y32-Y77 HydrophobicContact CD2-CG 4.14Å; Y32-Y77 HydrophobicContact CE1-CD2 4.38Å; Y32-Y77 AromaticContact CE1-CE1 3.93Å; Y32-Y77 HydrophobicContact CE1-CE1 3.93Å; Y32-Y77 AromaticContact CE1-CE2 3.59Å; Y32-Y77 HydrophobicContact CE1-CE2 3.59Å; Y32-Y77 AromaticContact CE1-CZ 3.31Å; Y32-Y77 VanDerWaalsContact CE1-OH 3.24Å; Y32-Y77 WeakPolarHBondContact CE1-OH 3.33Å; Y32-Y77 HydrophobicContact CE2-CD1 4.08Å; Y32-Y77 AromaticContact CE2-CE1 3.56Å; Y32-Y77 HydrophobicContact CE2-CE1 3.56Å; Y32-Y77 AromaticContact CE2-CZ 3.88Å; Y32-Y77 AromaticContact CG-CD1 3.94Å; Y32-Y77 HydrophobicContact CG-CD1 3.94Å; Y32-Y77 AromaticContact CG-CD2 3.81Å; Y32-Y77 HydrophobicContact CG-CD2 3.81Å; Y32-Y77 AromaticContact CG-CE1 3.97Å; Y32-Y77 HydrophobicContact CG-CE1 3.97Å; Y32-Y77 AromaticContact CG-CE2 3.86Å; Y32-Y77 HydrophobicContact CG-CE2 3.86Å; Y32-Y77 AromaticContact CG-CG 3.85Å; Y32-Y77 HydrophobicContact CG-CG 3.85Å; Y32-Y77 AromaticContact CG-CZ 3.93Å; Y32-Y77 AromaticContact CZ-CE1 3.67Å; Y32-Y77 AromaticContact CZ-CZ 3.48Å; Y32-Y77 VanDerWaalsContact CZ-CZ 3.48Å; Y32-Y77 PolarHBondContact OH-OH 2.86Å; Y32-G127 CarbonylContact O-C 3.4Å; Y32-G127 VanDerWaalsContact O-CA 3.26Å; Y32-G127 WeakPolarHBondContact O-CA 3.33Å; Y32-L128 HydrophobicContact CD2-CD2 4.29Å; Y32-L128 PolarHBondContact N-O 2.83Å; Y32-L128 PolarHBondContact O-N 3.24Å
33H95.1Very high89Confident54 Ų5472 Ų7225%0.2536%0.355CS..EExtended strand (participates in β ladder)trans-132.4146.5-175.4-57.8101.2000111R125 I126 E129 D161H33-R125 HydrophobicContact CB-CG 4.42Å; H33-I126 WeakPolarHBondContact CA-O 3.39Å; H33-E129 IonicContact CD2-OE1 3.75Å; H33-E129 IonicContact NE2-OE1 2.82Å; H33-E129 PolarHBondContact NE2-OE1 3.06Å; H33-D161 IonicContact CE1-OD1 3.33Å; H33-D161 PolarHBondContact CE1-OD1 3.26Å; H33-D161 IonicContact ND1-OD1 2.99Å; H33-D161 PolarHBondContact ND1-OD1 3.42Å; H33-D161 IonicContact ND1-OD2 3.62Å
34Y93.7Very high89.1Confident56 Ų5667.9 Ų67.922%0.2234%0.338CS..EExtended strand (participates in β ladder)trans-129.3117.4170.6-177.5-97000109.8Y36 F78 L80 L92 P94 R125 I126Y34-Y36 HydrophobicContact CD1-CD1 4.25Å; Y34-F78 HydrophobicContact CG-CD2 4.39Å; Y34-L80 HydrophobicContact CD1-CD2 3.75Å; Y34-L80 HydrophobicContact CD2-CD1 4.37Å; Y34-L80 HydrophobicContact CE1-CD1 4.16Å; Y34-L80 HydrophobicContact CE1-CD2 3.59Å; Y34-L80 HydrophobicContact CE2-CD1 3.74Å; Y34-L80 HydrophobicContact CE2-CD2 4.41Å; Y34-L80 HydrophobicContact CG-CD2 4.23Å; Y34-L92 VanDerWaalsContact OH-CB 3.27Å; Y34-L92 WeakPolarHBondContact OH-CB 3.24Å; Y34-P94 HydrophobicContact CD1-CB 4.31Å; Y34-P94 HydrophobicContact CD1-CG 4.18Å; Y34-R125 WeakPolarHBondContact O-CA 3.37Å; Y34-I126 HydrophobicContact CD1-CG2 4.41Å; Y34-I126 PolarHBondContact N-O 2.81Å; Y34-I126 PolarHBondContact O-N 2.85Å
35E91.2Very high89.3Confident125 Ų12569.5 Ų69.558%0.58434%0.344SS*.EExtended strand (participates in β ladder)trans-90125.5176.1-65.8-175.7178.200110R125E35-R125 HydrophobicContact CG-CG 4.39Å
36Y86.1Confident89.4Confident30 Ų3066.6 Ų66.612%0.11833%0.327CS..  trans-126.419.1-179.360.2-87.1000112.4Y34 K38 I91 P94 K121 Q122 G124 R125 I126Y34-Y36 HydrophobicContact CD1-CD1 4.25Å; Y36-K38 PolarHBondContact O-N 2.84Å; Y36-I91 WeakPolarHBondContact O-CD1 3.35Å; Y36-P94 HydrophobicContact CD1-CG 3.24Å; Y36-P94 HydrophobicContact CD2-CG 4.49Å; Y36-P94 HydrophobicContact CE1-CG 3.3Å; Y36-P94 VanDerWaalsContact CG-CD 3.41Å; Y36-P94 HydrophobicContact CG-CG 3.88Å; Y36-K121 WeakPolarHBondContact OH-CE 3.49Å; Y36-Q122 PolarHBondContact OH-O 3.21Å; Y36-G124 WeakPolarHBondContact CD1-O 3.14Å; Y36-G124 PolarHBondContact N-O 2.62Å; Y36-R125 VanDerWaalsContact CE1-CA 3.47Å; Y36-R125 VanDerWaalsContact CE1-N 3.26Å; Y36-I126 HydrophobicContact CE1-CB 4.36Å
37S81.3Confident89.5Confident83 Ų8369.3 Ų69.358%0.5834%0.336SS*.  trans-71.1-19.9171.254.40000113I39 G124S37-I39 PolarHBondContact O-N 2.8Å; S37-G124 PolarHBondContact N-O 2.98Å
38K77.1Confident89.2Confident143 Ų14372.1 Ų72.162%0.62235%0.345SS*.SBendtrans-83.9107.6-179-66.9-178-177.8175.30111.2Y36 Q40Y36-K38 PolarHBondContact O-N 2.84Å; K38-Q40 PolarHBondContact O-NE2 3.21Å
39I81.4Confident88.9Confident90 Ų9073.3 Ų73.346%0.46235%0.346SS..  trans-63.2132.1169.3-61-178.6000109.4S37 I41 I85 A89S37-I39 PolarHBondContact O-N 2.8Å; I39-I41 HydrophobicContact CG2-CG1 4.28Å; I39-I85 HydrophobicContact CB-CD1 4.08Å; I39-I85 HydrophobicContact CD1-CD1 3.99Å; I39-I85 HydrophobicContact CG1-CD1 3.62Å; I39-I85 HydrophobicContact CG2-CD1 3.67Å; I39-A89 HydrophobicContact CG2-CB 3.55Å
40Q79.8Confident88.6Confident51 Ų5181.7 Ų81.724%0.23838%0.379CS..BIsolated β-bridgetrans-97.1117.4-177.1-59-70.6-37.100109.6K38 V44 Y59 V90K38-Q40 PolarHBondContact O-NE2 3.21Å; Q40-V44 VanDerWaalsContact O-CG2 3.29Å; Q40-V44 WeakPolarHBondContact O-CG2 2.85Å; Q40-Y59 HydrophobicContact CB-CD2 4.28Å; Q40-Y59 HydrophobicContact CB-CE2 3.92Å; Q40-Y59 HydrophobicContact CG-CD2 4.38Å; Q40-Y59 HydrophobicContact CG-CE2 3.68Å; Q40-V90 HydrophobicContact CB-CG2 3.96Å; Q40-V90 WeakPolarHBondContact CB-O 3.19Å; Q40-V90 PolarHBondContact N-O 2.91Å; Q40-V90 PolarHBondContact O-N 2.96Å; Q40-V90 VanDerWaalsContact O-N 3.09Å
41I80.6Confident88Confident106 Ų10689.1 Ų89.154%0.54441%0.407SS..SBendtrans-113-29.8177.8-50.3174.4000110.5I39 V44 A89I39-I41 HydrophobicContact CG2-CG1 4.28Å; I41-V44 WeakPolarHBondContact O-CG2 2.93Å; I41-A89 HydrophobicContact CG1-CB 4.42Å
42E83Confident87.6Confident185 Ų18595.5 Ų95.586%0.86444%0.436SS*.SBendtrans-82.1-41.4-179.7-64.2178.4178.800112.2V44E42-V44 PolarHBondContact O-N 3.27Å; E42-V44 VanDerWaalsContact O-N 3.13Å
43R86.4Confident87Confident65 Ų65100.2 Ų100.225%0.24545%0.453CS..SBendtrans-92.346-174.2-61.6-176.162.1170.85.1112.6Y59 V60 L61 D62R43-Y59 HydrophobicContact CB-CD2 4.23Å; R43-Y59 HydrophobicContact CB-CE2 3.57Å; R43-Y59 PolarHBondContact NE-OH 2.02Å; R43-Y59 VanDerWaalsContact NE-OH 3.13Å; R43-Y59 PolarHBondContact NH1-OH 2.76Å; R43-Y59 WeakPolarHBondContact O-CD2 3.41Å; R43-Y59 WeakPolarHBondContact O-CE2 3.32Å; R43-V60 PolarHBondContact NE-O 2.97Å; R43-V60 VanDerWaalsContact NE-O 3.16Å; R43-V60 PolarHBondContact NH2-O 3.18Å; R43-V60 PolarHBondContact O-N 3.29Å; R43-L61 PolarHBondContact NH2-O 3.46Å; R43-D62 IonicContact CZ-OD1 3.97Å; R43-D62 IonicContact CZ-OD2 2.76Å; R43-D62 VanDerWaalsContact NH1-CG 3.31Å; R43-D62 IonicContact NH1-OD1 2.98Å; R43-D62 PolarHBondContact NH1-OD1 3.07Å; R43-D62 IonicContact NH1-OD2 3.72Å; R43-D62 PolarHBondContact NH1-OD2 3.25Å; R43-D62 VanDerWaalsContact NH2-CA 3.28Å; R43-D62 IonicContact NH2-OD1 3.82Å; R43-D62 PolarHBondContact NH2-OD1 3.32Å; R43-D62 IonicContact NH2-OD2 2.64Å
44V90.3Very high86.7Confident7 Ų7100.1 Ų100.14%0.04246%0.456CS..EExtended strand (participates in β ladder)trans-105.1132.2-175.51770000108.9Q40 I41 E42 W46 A56 V90Q40-V44 VanDerWaalsContact O-CG2 3.29Å; Q40-V44 WeakPolarHBondContact O-CG2 2.85Å; I41-V44 WeakPolarHBondContact O-CG2 2.93Å; E42-V44 PolarHBondContact O-N 3.27Å; E42-V44 VanDerWaalsContact O-N 3.13Å; V44-W46 HydrophobicContact CB-CZ2 4.09Å; V44-W46 HydrophobicContact CG1-CD2 4.04Å; V44-W46 HydrophobicContact CG1-CG 4.39Å; V44-W46 HydrophobicContact CG1-CZ2 3.96Å; V44-W46 PolarHBondContact O-NE1 2.8Å; V44-A56 HydrophobicContact CG1-CB 3.4Å; V44-A56 VanDerWaalsContact CG1-CB 3.4Å; V44-V90 HydrophobicContact CG1-CG1 4.09Å; V44-V90 HydrophobicContact CG2-CG1 4.2Å; V44-V90 HydrophobicContact CG2-CG2 3.92Å
45Q91.2Very high86.6Confident41 Ų4199.6 Ų99.619%0.19246%0.459CS..EExtended strand (participates in β ladder)trans-78.1121.4166.9-170.1-169.9400107.7I57 G58 V60 N66Q45-I57 HydrophobicContact CB-CG1 4.1Å; Q45-I57 HydrophobicContact CG-CD1 3.95Å; Q45-I57 HydrophobicContact CG-CG1 3.76Å; Q45-I57 VanDerWaalsContact O-CG1 3.24Å; Q45-I57 WeakPolarHBondContact O-CG1 3.5Å; Q45-I57 PolarHBondContact O-N 3.42Å; Q45-G58 PolarHBondContact N-O 3.48Å; Q45-G58 PolarHBondContact O-N 2.96Å; Q45-V60 HydrophobicContact CB-CG2 4.1Å; Q45-N66 HydrophobicContact CG-CB 4.46Å
46W91.1Very high86.6Confident36 Ų3693.7 Ų93.714%0.13643%0.432CS..EExtended strand (participates in β ladder)trans-103.6140.9-175.3-6893.8000111.9V44 Y48 R53 T88V44-W46 HydrophobicContact CB-CZ2 4.09Å; V44-W46 HydrophobicContact CG1-CD2 4.04Å; V44-W46 HydrophobicContact CG1-CG 4.39Å; V44-W46 HydrophobicContact CG1-CZ2 3.96Å; V44-W46 PolarHBondContact O-NE1 2.8Å; W46-Y48 HydrophobicContact CB-CD2 4.26Å; W46-Y48 HydrophobicContact CB-CE2 3.69Å; W46-Y48 WeakPolarHBondContact O-CD2 3.4Å; W46-R53 HydrophobicContact CB-CG 4.19Å; W46-R53 HydrophobicContact CD2-CB 4.1Å; W46-R53 HydrophobicContact CD2-CG 4.17Å; W46-R53 HydrophobicContact CE3-CB 3.93Å; W46-R53 HydrophobicContact CG-CB 4.37Å; W46-R53 HydrophobicContact CG-CG 4.01Å; W46-T88 HydrophobicContact CH2-CG2 4.07Å; W46-T88 HydrophobicContact CZ3-CG2 4.39Å
47K91.7Very high87Confident93 Ų9395.3 Ų95.340%0.40444%0.442SS..EExtended strand (participates in β ladder)trans-77.4136.6158.3-167.8-176.3-175.5-161.40108.6E49 T54 V55 I57K47-E49 VanDerWaalsContact CE-OE1 3.24Å; K47-E49 WeakPolarHBondContact CE-OE1 3.49Å; K47-E49 IonicContact NZ-OE1 2.68Å; K47-E49 PolarHBondContact NZ-OE1 2.85Å; K47-T54 PolarHBondContact O-N 3.24Å; K47-T54 PolarHBondContact O-OG1 3.43Å; K47-V55 HydrophobicContact CB-CG2 3.85Å; K47-V55 HydrophobicContact CD-CG2 4.05Å; K47-V55 PolarHBondContact N-O 3.41Å; K47-I57 HydrophobicContact CB-CG2 3.78Å
48Y88.8Confident87.6Confident131 Ų13191.3 Ų91.351%0.51441%0.414SS..EExtended strand (participates in β ladder)trans-113.3126.9174.6-70.9-95.7000110.1W46 E52 R53W46-Y48 HydrophobicContact CB-CD2 4.26Å; W46-Y48 HydrophobicContact CB-CE2 3.69Å; W46-Y48 WeakPolarHBondContact O-CD2 3.4Å; Y48-E52 VanDerWaalsContact CA-O 3.29Å; Y48-E52 WeakPolarHBondContact CA-O 3.27Å; Y48-R53 HydrophobicContact CD1-CG 4.2Å; Y48-R53 HydrophobicContact CE1-CB 4.44Å; Y48-R53 HydrophobicContact CE1-CG 3.42Å; Y48-R53 VanDerWaalsContact CE1-CG 3.42Å; Y48-R53 PolarHBondContact OH-NE 2.84Å
49E89Confident88.3Confident97 Ų9785 Ų8545%0.45339%0.386SS..EExtended strand (participates in β ladder)trans-122.4130.1170-60.3-177.8179.900107.8K47 K51 E52 T54K47-E49 VanDerWaalsContact CE-OE1 3.24Å; K47-E49 WeakPolarHBondContact CE-OE1 3.49Å; K47-E49 IonicContact NZ-OE1 2.68Å; K47-E49 PolarHBondContact NZ-OE1 2.85Å; E49-K51 PolarHBondContact O-N 2.88Å; E49-K51 VanDerWaalsContact O-N 3.07Å; E49-E52 PolarHBondContact N-O 2.89Å; E49-E52 VanDerWaalsContact N-O 3.11Å; E49-E52 PolarHBondContact O-N 2.9Å; E49-T54 HydrophobicContact CB-CG2 3.75Å; E49-T54 HydrophobicContact CG-CG2 3.93Å
50K90.5Very high88.9Confident205 Ų20582.6 Ų82.689%0.89138%0.376SS*.THydrogen-bonded Turntrans50.634.1-175.7-57.9179.4-179.9176.10114E52K50-E52 VanDerWaalsContact C-N 3.28Å; K50-E52 PolarHBondContact O-N 2.81Å
51K84.7Confident89.4Confident199 Ų19980.8 Ų80.887%0.86537%0.368SS*.THydrogen-bonded Turntrans69.710.2-177.4-53.8178.8176.9178.60115.8E49E49-K51 PolarHBondContact O-N 2.88Å; E49-K51 VanDerWaalsContact O-N 3.07Å
52E88.3Confident89.7Confident144 Ų14482.7 Ų82.767%0.67338%0.379SS*.EExtended strand (participates in β ladder)trans-104.8144.9174.7-66.2-178.3174.100111.3Y48 E49 K50 T54Y48-E52 VanDerWaalsContact CA-O 3.29Å; Y48-E52 WeakPolarHBondContact CA-O 3.27Å; E49-E52 PolarHBondContact N-O 2.89Å; E49-E52 VanDerWaalsContact N-O 3.11Å; E49-E52 PolarHBondContact O-N 2.9Å; K50-E52 VanDerWaalsContact C-N 3.28Å; K50-E52 PolarHBondContact O-N 2.81Å; E52-T54 PolarHBondContact O-N 2.79Å
53R84.9Confident90.1Very high163 Ų16377.5 Ų77.562%0.61536%0.363SS*.EExtended strand (participates in β ladder)trans-69.8118.5174-69.2-179.6-177175.73.4108.5W46 Y48W46-R53 HydrophobicContact CB-CG 4.19Å; W46-R53 HydrophobicContact CD2-CB 4.1Å; W46-R53 HydrophobicContact CD2-CG 4.17Å; W46-R53 HydrophobicContact CE3-CB 3.93Å; W46-R53 HydrophobicContact CG-CB 4.37Å; W46-R53 HydrophobicContact CG-CG 4.01Å; Y48-R53 HydrophobicContact CD1-CG 4.2Å; Y48-R53 HydrophobicContact CE1-CB 4.44Å; Y48-R53 HydrophobicContact CE1-CG 3.42Å; Y48-R53 VanDerWaalsContact CE1-CG 3.42Å; Y48-R53 PolarHBondContact OH-NE 2.84Å
54T89.6Confident90.2Very high52 Ų5276.7 Ų76.732%0.31938%0.375SS..EExtended strand (participates in β ladder)trans-102.2-60-178.354.10000112.3K47 E49 E52K47-T54 PolarHBondContact O-N 3.24Å; K47-T54 PolarHBondContact O-OG1 3.43Å; E49-T54 HydrophobicContact CB-CG2 3.75Å; E49-T54 HydrophobicContact CG-CG2 3.93Å; E52-T54 PolarHBondContact O-N 2.79Å
55V91.2Very high90.3Very high45 Ų4582 Ų8227%0.27340%0.399SS..EExtended strand (participates in β ladder)trans-141.7147.9-175.5-64.80000111.7K47 I57 D87K47-V55 HydrophobicContact CB-CG2 3.85Å; K47-V55 HydrophobicContact CD-CG2 4.05Å; K47-V55 PolarHBondContact N-O 3.41Å; V55-I57 HydrophobicContact CG2-CG2 4.32Å; V55-D87 WeakPolarHBondContact CA-O 3.47Å; V55-D87 HydrophobicContact CG1-CB 4.35Å
56A91.7Very high90.4Very high2 Ų284.2 Ų84.22%0.01741%0.412CS..EExtended strand (participates in β ladder)trans-62.1134.1165.900000109.8V44 F69 D87 V90V44-A56 HydrophobicContact CG1-CB 3.4Å; V44-A56 VanDerWaalsContact CG1-CB 3.4Å; A56-F69 HydrophobicContact CB-CZ 3.98Å; A56-F69 WeakPolarHBondContact O-CE2 3.2Å; A56-D87 WeakPolarHBondContact CB-O 3.45Å; A56-D87 PolarHBondContact N-O 3.18Å; A56-V90 HydrophobicContact CB-CG1 3.86Å
57I93.6Very high90.5Very high63 Ų6383.1 Ų83.132%0.32341%0.409SS..EExtended strand (participates in β ladder)trans-122.2-8.5175.856.1170.2000113.4Q45 K47 V55 F69Q45-I57 HydrophobicContact CB-CG1 4.1Å; Q45-I57 HydrophobicContact CG-CD1 3.95Å; Q45-I57 HydrophobicContact CG-CG1 3.76Å; Q45-I57 VanDerWaalsContact O-CG1 3.24Å; Q45-I57 WeakPolarHBondContact O-CG1 3.5Å; Q45-I57 PolarHBondContact O-N 3.42Å; K47-I57 HydrophobicContact CB-CG2 3.78Å; V55-I57 HydrophobicContact CG2-CG2 4.32Å; I57-F69 VanDerWaalsContact C-CE2 3.41Å; I57-F69 VanDerWaalsContact CA-CE2 3.45Å; I57-F69 WeakPolarHBondContact O-CD2 3.37Å
58G93.8Very high90.7Very high0 Ų081.1 Ų81.10%041%0.407CS..EExtended strand (participates in β ladder)trans175.6-168.8-178.200000112.8Q45 L67Q45-G58 PolarHBondContact N-O 3.48Å; Q45-G58 PolarHBondContact O-N 2.96Å; G58-L67 CarbonylContact C-O 3.54Å; G58-L67 WeakPolarHBondContact CA-O 3.37Å
59Y93.7Very high91Very high11 Ų1178 Ų784%0.04340%0.396CS..EExtended strand (participates in β ladder)trans-116.4147.3178.4-179.6-98.9000111.1Q40 R43 L61 L67 V90 L92Q40-Y59 HydrophobicContact CB-CD2 4.28Å; Q40-Y59 HydrophobicContact CB-CE2 3.92Å; Q40-Y59 HydrophobicContact CG-CD2 4.38Å; Q40-Y59 HydrophobicContact CG-CE2 3.68Å; R43-Y59 HydrophobicContact CB-CD2 4.23Å; R43-Y59 HydrophobicContact CB-CE2 3.57Å; R43-Y59 PolarHBondContact NE-OH 2.02Å; R43-Y59 VanDerWaalsContact NE-OH 3.13Å; R43-Y59 PolarHBondContact NH1-OH 2.76Å; R43-Y59 WeakPolarHBondContact O-CD2 3.41Å; R43-Y59 WeakPolarHBondContact O-CE2 3.32Å; Y59-L61 HydrophobicContact CD1-CD2 3.98Å; Y59-L61 HydrophobicContact CD1-CG 4.35Å; Y59-L61 HydrophobicContact CE1-CD2 3.94Å; Y59-L67 PolarHBondContact N-O 3Å; Y59-L67 PolarHBondContact O-N 2.95Å; Y59-V90 HydrophobicContact CD2-CG2 3.63Å; Y59-V90 HydrophobicContact CG-CG2 4.38Å; Y59-L92 HydrophobicContact CD1-CD1 3.81Å; Y59-L92 HydrophobicContact CD1-CD2 4Å; Y59-L92 HydrophobicContact CD1-CG 4.03Å; Y59-L92 HydrophobicContact CD2-CG 4.45Å; Y59-L92 HydrophobicContact CE1-CD1 3.49Å; Y59-L92 VanDerWaalsContact CE1-CD1 3.49Å; Y59-L92 HydrophobicContact CE1-CG 4.11Å; Y59-L92 HydrophobicContact CG-CD1 4.43Å; Y59-L92 HydrophobicContact CG-CD2 4.14Å; Y59-L92 HydrophobicContact CG-CG 4.18Å
60V92.9Very high91.1Very high39 Ų3975.7 Ų75.724%0.23640%0.399CS..EExtended strand (participates in β ladder)trans-105.3112.1176.3-171.60000110.1R43 Q45R43-V60 PolarHBondContact NE-O 2.97Å; R43-V60 VanDerWaalsContact NE-O 3.16Å; R43-V60 PolarHBondContact NH2-O 3.18Å; R43-V60 PolarHBondContact O-N 3.29Å; Q45-V60 HydrophobicContact CB-CG2 4.1Å
61L90.6Very high91.4Very high13 Ų1370.2 Ų70.27%0.06838%0.376CS..  trans-68.6166.1179.4-66.4170.6000112.2R43 Y59 S63 G64 E65 Y73R43-L61 PolarHBondContact NH2-O 3.46Å; Y59-L61 HydrophobicContact CD1-CD2 3.98Å; Y59-L61 HydrophobicContact CD1-CG 4.35Å; Y59-L61 HydrophobicContact CE1-CD2 3.94Å; L61-S63 PolarHBondContact O-N 3.43Å; L61-G64 PolarHBondContact O-N 2.87Å; L61-E65 HydrophobicContact CB-CB 4.47Å; L61-E65 WeakPolarHBondContact CB-O 3.45Å; L61-E65 HydrophobicContact CD1-CB 4.09Å; L61-E65 PolarHBondContact N-O 3.21Å; L61-Y73 HydrophobicContact CD1-CD2 3.48Å; L61-Y73 VanDerWaalsContact CD1-CD2 3.48Å; L61-Y73 HydrophobicContact CD1-CE2 3.66Å; L61-Y73 HydrophobicContact CD1-CG 4.02Å; L61-Y73 HydrophobicContact CD2-CD1 3.76Å; L61-Y73 HydrophobicContact CD2-CD2 4.07Å; L61-Y73 HydrophobicContact CD2-CE1 3.91Å; L61-Y73 HydrophobicContact CD2-CE2 4.23Å; L61-Y73 HydrophobicContact CD2-CG 3.83Å; L61-Y73 HydrophobicContact CG-CD2 4.47Å
62D87.8Confident91.8Very high145 Ų14565.5 Ų65.578%0.77536%0.359SS*.THydrogen-bonded Turntrans-67.4-24.8-178.6-74.9-45.3000111.4R43 G64R43-D62 IonicContact CZ-OD1 3.97Å; R43-D62 IonicContact CZ-OD2 2.76Å; R43-D62 VanDerWaalsContact NH1-CG 3.31Å; R43-D62 IonicContact NH1-OD1 2.98Å; R43-D62 PolarHBondContact NH1-OD1 3.07Å; R43-D62 IonicContact NH1-OD2 3.72Å; R43-D62 PolarHBondContact NH1-OD2 3.25Å; R43-D62 VanDerWaalsContact NH2-CA 3.28Å; R43-D62 IonicContact NH2-OD1 3.82Å; R43-D62 PolarHBondContact NH2-OD1 3.32Å; R43-D62 IonicContact NH2-OD2 2.64Å; D62-G64 PolarHBondContact O-N 3.43Å
63S89.6Confident92.1Very high77 Ų7762.5 Ų62.554%0.53834%0.342SS..THydrogen-bonded Turntrans-67.7-12.9170.7530000113.5L61 E65L61-S63 PolarHBondContact O-N 3.43Å; S63-E65 VanDerWaalsContact C-N 3.26Å; S63-E65 WeakPolarHBondContact OG-CB 3.11Å; S63-E65 WeakPolarHBondContact OG-CG 3.27Å; S63-E65 PolarHBondContact OG-N 2.84Å; S63-E65 PolarHBondContact OG-OE2 2.91Å
64G90.1Very high92.6Very high48 Ų4862.8 Ų62.850%0.49534%0.343SS..SBendtrans83.1-1.5-169.400000113.9L61 D62L61-G64 PolarHBondContact O-N 2.87Å; D62-G64 PolarHBondContact O-N 3.43Å
65E91.7Very high92.7Very high118 Ų11861.7 Ų61.755%0.55134%0.338SS*.  trans-70144.4174.6-67170.214800111.3L61 S63L61-E65 HydrophobicContact CB-CB 4.47Å; L61-E65 WeakPolarHBondContact CB-O 3.45Å; L61-E65 HydrophobicContact CD1-CB 4.09Å; L61-E65 PolarHBondContact N-O 3.21Å; S63-E65 VanDerWaalsContact C-N 3.26Å; S63-E65 WeakPolarHBondContact OG-CB 3.11Å; S63-E65 WeakPolarHBondContact OG-CG 3.27Å; S63-E65 PolarHBondContact OG-N 2.84Å; S63-E65 PolarHBondContact OG-OE2 2.91Å
66N93.5Very high92.8Very high88 Ų8864.9 Ų64.947%0.47136%0.358SS..EExtended strand (participates in β ladder)trans-96.4131.1179.2-66.1-50000110.5Q45Q45-N66 HydrophobicContact CG-CB 4.46Å
67L93.6Very high93.1Very high12 Ų1268.3 Ų68.36%0.06337%0.371CS..EExtended strand (participates in β ladder)trans-112.4109.5177.2-167.372.3000109.1G58 Y59 Q71 C82 L92G58-L67 CarbonylContact C-O 3.54Å; G58-L67 WeakPolarHBondContact CA-O 3.37Å; Y59-L67 PolarHBondContact N-O 3Å; Y59-L67 PolarHBondContact O-N 2.95Å; L67-Q71 HydrophobicContact CD1-CB 3.45Å; L67-Q71 VanDerWaalsContact CD1-CB 3.45Å; L67-Q71 HydrophobicContact CG-CB 3.9Å; L67-C82 HydrophobicContact CD2-CB 3.67Å; L67-C82 HydrophobicContact CG-CB 3.9Å; L67-L92 HydrophobicContact CD2-CD2 3.82Å
68S95.2Very high93.2Very high52 Ų5265.7 Ų65.736%0.36436%0.357SS..EExtended strand (participates in β ladder)trans-67.2156.1175.5-57.40000111.2G70 Q71 C82S68-G70 PolarHBondContact O-N 3.04Å; S68-Q71 VanDerWaalsContact O-CB 3.26Å; S68-Q71 WeakPolarHBondContact O-CB 3.01Å; S68-Q71 PolarHBondContact O-N 2.87Å; S68-C82 WeakPolarHBondContact O-CB 3.3Å
69F94.3Very high93.3Very high65 Ų6566 Ų6629%0.28536%0.358SS..THydrogen-bonded Turntrans-53.5137.6174.3-62.3-48.1000112.7A56 I57 Q71 C82 K84 V90A56-F69 HydrophobicContact CB-CZ 3.98Å; A56-F69 WeakPolarHBondContact O-CE2 3.2Å; I57-F69 VanDerWaalsContact C-CE2 3.41Å; I57-F69 VanDerWaalsContact CA-CE2 3.45Å; I57-F69 WeakPolarHBondContact O-CD2 3.37Å; F69-Q71 PolarHBondContact O-N 2.98Å; F69-C82 WeakPolarHBondContact CA-O 3.11Å; F69-K84 HydrophobicContact CD1-CB 3.88Å; F69-K84 HydrophobicContact CD2-CB 4.22Å; F69-K84 HydrophobicContact CD2-CD 4.35Å; F69-K84 HydrophobicContact CE1-CB 3.67Å; F69-K84 HydrophobicContact CE1-CG 4.14Å; F69-K84 HydrophobicContact CE2-CB 3.98Å; F69-K84 HydrophobicContact CE2-CD 3.74Å; F69-K84 HydrophobicContact CE2-CG 3.97Å; F69-K84 HydrophobicContact CG-CB 4.18Å; F69-K84 HydrophobicContact CZ-CB 3.72Å; F69-K84 HydrophobicContact CZ-CD 4Å; F69-K84 HydrophobicContact CZ-CG 3.71Å; F69-V90 HydrophobicContact CE1-CB 4.15Å; F69-V90 HydrophobicContact CE1-CG1 3.49Å; F69-V90 VanDerWaalsContact CE1-CG1 3.49Å; F69-V90 HydrophobicContact CZ-CG1 3.76Å
70G92.7Very high93.3Very high49 Ų4965.7 Ų65.751%0.50536%0.358SS..THydrogen-bonded Turntrans80.8-15.7-176.100000114.8S68 C82S68-G70 PolarHBondContact O-N 3.04Å; G70-C82 PolarHBondContact N-O 2.72Å
71Q95.5Very high93.4Very high90 Ų9069.1 Ų69.142%0.42137%0.366SS..  trans-69.3148.1175.2-66.9-175.5-28.400111.3L67 S68 F69 R81 C82L67-Q71 HydrophobicContact CD1-CB 3.45Å; L67-Q71 VanDerWaalsContact CD1-CB 3.45Å; L67-Q71 HydrophobicContact CG-CB 3.9Å; S68-Q71 VanDerWaalsContact O-CB 3.26Å; S68-Q71 WeakPolarHBondContact O-CB 3.01Å; S68-Q71 PolarHBondContact O-N 2.87Å; F69-Q71 PolarHBondContact O-N 2.98Å; Q71-R81 WeakPolarHBondContact O-CA 3.48Å; Q71-C82 PolarHBondContact O-N 2.78Å
72I94.7Very high93.6Very high100 Ų10068.5 Ų68.551%0.51336%0.363SS..EExtended strand (participates in β ladder)trans-105.3128.7-179.5-59.4174.2000108.7L79 L80I72-L79 HydrophobicContact CG2-CB 4.29Å; I72-L79 HydrophobicContact CG2-CD2 4.18Å; I72-L80 CarbonylContact C-O 3.57Å; I72-L80 WeakPolarHBondContact CA-O 3.41Å
73Y93.9Very high93.9Very high80 Ų8063.2 Ų63.231%0.31434%0.335SS..EExtended strand (participates in β ladder)trans-104.3129.2170.7173.3-113.3000110.3L61 L80L61-Y73 HydrophobicContact CD1-CD2 3.48Å; L61-Y73 VanDerWaalsContact CD1-CD2 3.48Å; L61-Y73 HydrophobicContact CD1-CE2 3.66Å; L61-Y73 HydrophobicContact CD1-CG 4.02Å; L61-Y73 HydrophobicContact CD2-CD1 3.76Å; L61-Y73 HydrophobicContact CD2-CD2 4.07Å; L61-Y73 HydrophobicContact CD2-CE1 3.91Å; L61-Y73 HydrophobicContact CD2-CE2 4.23Å; L61-Y73 HydrophobicContact CD2-CG 3.83Å; L61-Y73 HydrophobicContact CG-CD2 4.47Å; Y73-L80 HydrophobicContact CD1-CD1 4.2Å; Y73-L80 PolarHBondContact N-O 2.86Å; Y73-L80 PolarHBondContact O-N 3.1Å
74R94.4Very high94Very high169 Ų16964 Ų6464%0.63833%0.329SS*.EExtended strand (participates in β ladder)trans-94.4105176-56.8-159155.6153.5-11.1109.4L79 L98 E103R74-L79 HydrophobicContact CB-CD2 4.05Å; R74-L79 HydrophobicContact CG-CD2 3.46Å; R74-L79 VanDerWaalsContact CG-CD2 3.46Å; R74-L98 HydrophobicContact CB-CD1 4.41Å; R74-E103 IonicContact CZ-OE1 2.72Å; R74-E103 IonicContact NE-OE1 3.02Å; R74-E103 IonicContact NH2-OE1 3.9Å; R74-E103 PolarHBondContact NH2-OE1 3.09Å
75S92.5Very high94Very high30 Ų3065.1 Ų65.121%0.2132%0.323CS..  trans-83.8-177.1169.673.90000111.1Y77 F78 L98S75-Y77 VanDerWaalsContact C-N 3.29Å; S75-Y77 PolarHBondContact O-N 3.4Å; S75-F78 WeakPolarHBondContact CB-O 3.46Å; S75-F78 PolarHBondContact N-O 2.97Å; S75-F78 WeakPolarHBondContact OG-CA 3.43Å; S75-F78 PolarHBondContact OG-N 3.47Å; S75-F78 PolarHBondContact OG-O 3.37Å; S75-L98 VanDerWaalsContact O-CD1 3.25Å; S75-L98 WeakPolarHBondContact O-CD1 3.5Å
76T93.9Very high94Very high112 Ų11263 Ų6369%0.68732%0.315SS*.SBendtrans-59.9-36.5176.5-48.10000113.1
77Y96.4Very high93.9Very high74 Ų7463.3 Ų63.329%0.2932%0.317SS..SBendtrans-127.7-6.3-171.1-56.5-66.9000114.6Y32 S75 C97 L98 L128Y32-Y77 HydrophobicContact CD1-CD1 4.41Å; Y32-Y77 AromaticContact CD1-CD2 3.77Å; Y32-Y77 HydrophobicContact CD1-CD2 3.77Å; Y32-Y77 HydrophobicContact CD1-CE1 4.08Å; Y32-Y77 AromaticContact CD1-CE2 3.39Å; Y32-Y77 HydrophobicContact CD1-CE2 3.39Å; Y32-Y77 HydrophobicContact CD1-CG 4.26Å; Y32-Y77 AromaticContact CD1-CZ 3.56Å; Y32-Y77 AromaticContact CD2-CD1 3.77Å; Y32-Y77 HydrophobicContact CD2-CD1 3.77Å; Y32-Y77 HydrophobicContact CD2-CD2 4.47Å; Y32-Y77 AromaticContact CD2-CE1 3.73Å; Y32-Y77 HydrophobicContact CD2-CE1 3.73Å; Y32-Y77 HydrophobicContact CD2-CE2 4.45Å; Y32-Y77 HydrophobicContact CD2-CG 4.14Å; Y32-Y77 HydrophobicContact CE1-CD2 4.38Å; Y32-Y77 AromaticContact CE1-CE1 3.93Å; Y32-Y77 HydrophobicContact CE1-CE1 3.93Å; Y32-Y77 AromaticContact CE1-CE2 3.59Å; Y32-Y77 HydrophobicContact CE1-CE2 3.59Å; Y32-Y77 AromaticContact CE1-CZ 3.31Å; Y32-Y77 VanDerWaalsContact CE1-OH 3.24Å; Y32-Y77 WeakPolarHBondContact CE1-OH 3.33Å; Y32-Y77 HydrophobicContact CE2-CD1 4.08Å; Y32-Y77 AromaticContact CE2-CE1 3.56Å; Y32-Y77 HydrophobicContact CE2-CE1 3.56Å; Y32-Y77 AromaticContact CE2-CZ 3.88Å; Y32-Y77 AromaticContact CG-CD1 3.94Å; Y32-Y77 HydrophobicContact CG-CD1 3.94Å; Y32-Y77 AromaticContact CG-CD2 3.81Å; Y32-Y77 HydrophobicContact CG-CD2 3.81Å; Y32-Y77 AromaticContact CG-CE1 3.97Å; Y32-Y77 HydrophobicContact CG-CE1 3.97Å; Y32-Y77 AromaticContact CG-CE2 3.86Å; Y32-Y77 HydrophobicContact CG-CE2 3.86Å; Y32-Y77 AromaticContact CG-CG 3.85Å; Y32-Y77 HydrophobicContact CG-CG 3.85Å; Y32-Y77 AromaticContact CG-CZ 3.93Å; Y32-Y77 AromaticContact CZ-CE1 3.67Å; Y32-Y77 AromaticContact CZ-CZ 3.48Å; Y32-Y77 VanDerWaalsContact CZ-CZ 3.48Å; Y32-Y77 PolarHBondContact OH-OH 2.86Å; S75-Y77 VanDerWaalsContact C-N 3.29Å; S75-Y77 PolarHBondContact O-N 3.4Å; Y77-C97 CarbonylContact O-C 3.54Å; Y77-C97 WeakPolarHBondContact O-CA 3.34Å; Y77-L98 PolarHBondContact O-N 2.83Å; Y77-L128 HydrophobicContact CD1-CD2 4.2Å
78F96.7Very high93.6Very high8 Ų866.1 Ų66.14%0.03533%0.334CS..EExtended strand (participates in β ladder)trans-145.3147-173.2-52.3-74.7000112.5Y34 S75 L80 K96 I126 L128Y34-F78 HydrophobicContact CG-CD2 4.39Å; S75-F78 WeakPolarHBondContact CB-O 3.46Å; S75-F78 PolarHBondContact N-O 2.97Å; S75-F78 WeakPolarHBondContact OG-CA 3.43Å; S75-F78 PolarHBondContact OG-N 3.47Å; S75-F78 PolarHBondContact OG-O 3.37Å; F78-L80 HydrophobicContact CB-CD2 3.89Å; F78-L80 HydrophobicContact CB-CG 4.39Å; F78-K96 WeakPolarHBondContact CA-O 3.42Å; F78-I126 HydrophobicContact CD1-CG2 3.61Å; F78-I126 HydrophobicContact CE1-CG2 3.73Å; F78-I126 HydrophobicContact CG-CG2 4.3Å; F78-I126 HydrophobicContact CZ-CG2 4.47Å; F78-L128 HydrophobicContact CE1-CB 4.31Å
79L96.1Very high93.4Very high5 Ų563.7 Ų63.73%0.02632%0.318CS..EExtended strand (participates in β ladder)trans-92.6122.8162.9-65.3179.2000109.3I72 R74 P94 S95 K96 L98 E103I72-L79 HydrophobicContact CG2-CB 4.29Å; I72-L79 HydrophobicContact CG2-CD2 4.18Å; R74-L79 HydrophobicContact CB-CD2 4.05Å; R74-L79 HydrophobicContact CG-CD2 3.46Å; R74-L79 VanDerWaalsContact CG-CD2 3.46Å; L79-P94 WeakPolarHBondContact O-CA 3.33Å; L79-S95 WeakPolarHBondContact CB-OG 3.44Å; L79-S95 PolarHBondContact O-N 3.29Å; L79-S95 PolarHBondContact O-OG 3.38Å; L79-K96 HydrophobicContact CB-CB 4.22Å; L79-K96 HydrophobicContact CD1-CB 3.89Å; L79-K96 HydrophobicContact CD1-CD 3.92Å; L79-K96 HydrophobicContact CD1-CG 4.17Å; L79-K96 HydrophobicContact CG-CB 4.27Å; L79-K96 PolarHBondContact N-O 2.03Å; L79-L98 HydrophobicContact CD1-CD2 4.33Å; L79-L98 HydrophobicContact CD2-CD1 3.8Å; L79-L98 HydrophobicContact CD2-CD2 4.02Å; L79-L98 HydrophobicContact CD2-CG 4.18Å; L79-L98 HydrophobicContact CG-CD1 4.15Å; L79-L98 HydrophobicContact CG-CD2 3.91Å; L79-L98 HydrophobicContact CG-CG 4.03Å; L79-E103 HydrophobicContact CD1-CB 4.5Å; L79-E103 HydrophobicContact CD1-CG 3.91Å; L79-E103 WeakPolarHBondContact CD1-OE1 2.99Å
80L94.3Very high93.3Very high5 Ų560.6 Ų60.63%0.02630%0.304CS..EExtended strand (participates in β ladder)trans-116.6131.9-176.6-53.8-179.3000109.3Y34 I72 Y73 F78 L92 P94Y34-L80 HydrophobicContact CD1-CD2 3.75Å; Y34-L80 HydrophobicContact CD2-CD1 4.37Å; Y34-L80 HydrophobicContact CE1-CD1 4.16Å; Y34-L80 HydrophobicContact CE1-CD2 3.59Å; Y34-L80 HydrophobicContact CE2-CD1 3.74Å; Y34-L80 HydrophobicContact CE2-CD2 4.41Å; Y34-L80 HydrophobicContact CG-CD2 4.23Å; I72-L80 CarbonylContact C-O 3.57Å; I72-L80 WeakPolarHBondContact CA-O 3.41Å; Y73-L80 HydrophobicContact CD1-CD1 4.2Å; Y73-L80 PolarHBondContact N-O 2.86Å; Y73-L80 PolarHBondContact O-N 3.1Å; F78-L80 HydrophobicContact CB-CD2 3.89Å; F78-L80 HydrophobicContact CB-CG 4.39Å; L80-L92 HydrophobicContact CB-CB 4.39Å; L80-L92 HydrophobicContact CD1-CD1 4.12Å; L80-P94 HydrophobicContact CD2-CB 3.73Å
81R94.6Very high93.3Very high111 Ų11159.6 Ų59.642%0.41929%0.287SS..EExtended strand (participates in β ladder)trans-106.6135.5175-170.1179.667.1-162.2-4.9110.2Q71 D83 L92 T93Q71-R81 WeakPolarHBondContact O-CA 3.48Å; R81-D83 IonicContact CZ-OD1 2.74Å; R81-D83 IonicContact CZ-OD2 3.45Å; R81-D83 IonicContact NE-OD1 3.24Å; R81-D83 PolarHBondContact NE-OD1 2.89Å; R81-D83 IonicContact NE-OD2 2.95Å; R81-D83 PolarHBondContact NE-OD2 2.76Å; R81-D83 IonicContact NH2-OD1 2.69Å; R81-D83 PolarHBondContact NH2-OD1 3.49Å; R81-D83 IonicContact NH2-OD2 3.37Å; R81-D83 PolarHBondContact NH2-OD2 2.82Å; R81-D83 PolarHBondContact O-N 2.64Å; R81-L92 WeakPolarHBondContact O-CA 3.04Å; R81-T93 PolarHBondContact N-O 3.36Å; R81-T93 PolarHBondContact O-N 2.72Å
82C93.9Very high93.1Very high0 Ų055.7 Ų55.70%027%0.269CS..EExtended strand (participates in β ladder)trans-75.9111.2173.1-168.10000110.5L67 S68 F69 G70 Q71 L92L67-C82 HydrophobicContact CD2-CB 3.67Å; L67-C82 HydrophobicContact CG-CB 3.9Å; S68-C82 WeakPolarHBondContact O-CB 3.3Å; F69-C82 WeakPolarHBondContact CA-O 3.11Å; G70-C82 PolarHBondContact N-O 2.72Å; Q71-C82 PolarHBondContact O-N 2.78Å; C82-L92 HydrophobicContact CB-CD2 4.34Å
83D93.5Very high92.9Very high34 Ų3452.4 Ų52.418%0.18225%0.253CS..EExtended strand (participates in β ladder)trans-112140.8177.3-68.2-29.7000110.5R81 I91 T93R81-D83 IonicContact CZ-OD1 2.74Å; R81-D83 IonicContact CZ-OD2 3.45Å; R81-D83 IonicContact NE-OD1 3.24Å; R81-D83 PolarHBondContact NE-OD1 2.89Å; R81-D83 IonicContact NE-OD2 2.95Å; R81-D83 PolarHBondContact NE-OD2 2.76Å; R81-D83 IonicContact NH2-OD1 2.69Å; R81-D83 PolarHBondContact NH2-OD1 3.49Å; R81-D83 IonicContact NH2-OD2 3.37Å; R81-D83 PolarHBondContact NH2-OD2 2.82Å; R81-D83 PolarHBondContact O-N 2.64Å; D83-I91 HydrophobicContact CB-CG2 3.83Å; D83-I91 PolarHBondContact N-O 3.38Å; D83-I91 PolarHBondContact O-N 2.78Å; D83-T93 WeakPolarHBondContact OD2-CB 3.47Å; D83-T93 PolarHBondContact OD2-OG1 2.83Å
84K93.1Very high92.9Very high95 Ų9548.7 Ų48.741%0.41324%0.239SC..EExtended strand (participates in β ladder)trans-83126.5173.2-172.6177.3179.7179.80108.9F69 N86 D87F69-K84 HydrophobicContact CD1-CB 3.88Å; F69-K84 HydrophobicContact CD2-CB 4.22Å; F69-K84 HydrophobicContact CD2-CD 4.35Å; F69-K84 HydrophobicContact CE1-CB 3.67Å; F69-K84 HydrophobicContact CE1-CG 4.14Å; F69-K84 HydrophobicContact CE2-CB 3.98Å; F69-K84 HydrophobicContact CE2-CD 3.74Å; F69-K84 HydrophobicContact CE2-CG 3.97Å; F69-K84 HydrophobicContact CG-CB 4.18Å; F69-K84 HydrophobicContact CZ-CB 3.72Å; F69-K84 HydrophobicContact CZ-CD 4Å; F69-K84 HydrophobicContact CZ-CG 3.71Å; K84-N86 VanDerWaalsContact CE-C 3.47Å; K84-N86 WeakPolarHBondContact CE-O 3.46Å; K84-N86 VanDerWaalsContact CG-O 3.27Å; K84-N86 WeakPolarHBondContact CG-O 3.4Å; K84-D87 VanDerWaalsContact CE-OD1 3.31Å; K84-D87 WeakPolarHBondContact CE-OD1 3.17Å; K84-D87 IonicContact NZ-OD1 3.63Å; K84-D87 PolarHBondContact NZ-OD1 2.96Å
85I90.5Very high92.8Very high71 Ų7142.6 Ų42.636%0.36422%0.222SC..  trans-87.3-52.2171.2-69.4170000109.5I39 A89 I91I39-I85 HydrophobicContact CB-CD1 4.08Å; I39-I85 HydrophobicContact CD1-CD1 3.99Å; I39-I85 HydrophobicContact CG1-CD1 3.62Å; I39-I85 HydrophobicContact CG2-CD1 3.67Å; I85-A89 HydrophobicContact CB-CB 4.31Å; I85-A89 PolarHBondContact N-O 3.02Å; I85-I91 HydrophobicContact CD1-CB 3.58Å; I85-I91 HydrophobicContact CD1-CD1 4.31Å; I85-I91 HydrophobicContact CD1-CG2 3.77Å; I85-I91 HydrophobicContact CG1-CB 4.02Å; I85-I91 HydrophobicContact CG1-CG2 3.63Å
86N91.1Very high93.1Very high74 Ų7443.3 Ų43.340%0.39622%0.222SC..SBendtrans-153.7-169.4178.162.335.6000108.9K84 T88 A89K84-N86 VanDerWaalsContact CE-C 3.47Å; K84-N86 WeakPolarHBondContact CE-O 3.46Å; K84-N86 VanDerWaalsContact CG-O 3.27Å; K84-N86 WeakPolarHBondContact CG-O 3.4Å; N86-T88 PolarHBondContact O-N 2.9Å; N86-T88 PolarHBondContact OD1-N 3.05Å; N86-T88 PolarHBondContact OD1-OG1 3.36Å; N86-T88 VanDerWaalsContact OD1-OG1 3.11Å; N86-A89 PolarHBondContact N-O 2.82Å; N86-A89 VanDerWaalsContact OD1-CB 3.25Å; N86-A89 WeakPolarHBondContact OD1-CB 3.31Å; N86-A89 PolarHBondContact OD1-N 3.42Å
87D90.3Very high93.3Very high94 Ų9438 Ų3850%0.50319%0.189SC..SBendtrans-68.3-14-176.6-67-31.7000114.8V55 A56 K84V55-D87 WeakPolarHBondContact CA-O 3.47Å; V55-D87 HydrophobicContact CG1-CB 4.35Å; A56-D87 WeakPolarHBondContact CB-O 3.45Å; A56-D87 PolarHBondContact N-O 3.18Å; K84-D87 VanDerWaalsContact CE-OD1 3.31Å; K84-D87 WeakPolarHBondContact CE-OD1 3.17Å; K84-D87 IonicContact NZ-OD1 3.63Å; K84-D87 PolarHBondContact NZ-OD1 2.96Å
88T89Confident93.3Very high70 Ų7035.1 Ų35.143%0.42918%0.179SC..SBendtrans-121.1-7.1-176.559.70000114W46 N86W46-T88 HydrophobicContact CH2-CG2 4.07Å; W46-T88 HydrophobicContact CZ3-CG2 4.39Å; N86-T88 PolarHBondContact O-N 2.9Å; N86-T88 PolarHBondContact OD1-N 3.05Å; N86-T88 PolarHBondContact OD1-OG1 3.36Å; N86-T88 VanDerWaalsContact OD1-OG1 3.11Å
89A90.4Very high93.3Very high2 Ų235.4 Ų35.42%0.01718%0.18CC..  trans-136.7141.1-170.200000112.8I39 I41 I85 N86I39-A89 HydrophobicContact CG2-CB 3.55Å; I41-A89 HydrophobicContact CG1-CB 4.42Å; I85-A89 HydrophobicContact CB-CB 4.31Å; I85-A89 PolarHBondContact N-O 3.02Å; N86-A89 PolarHBondContact N-O 2.82Å; N86-A89 VanDerWaalsContact OD1-CB 3.25Å; N86-A89 WeakPolarHBondContact OD1-CB 3.31Å; N86-A89 PolarHBondContact OD1-N 3.42Å
90V92.1Very high93.2Very high0 Ų043.3 Ų43.30%021%0.214CC..EExtended strand (participates in β ladder)trans-129160.2-178.6-490000110.3Q40 V44 A56 Y59 F69Q40-V90 HydrophobicContact CB-CG2 3.96Å; Q40-V90 WeakPolarHBondContact CB-O 3.19Å; Q40-V90 PolarHBondContact N-O 2.91Å; Q40-V90 PolarHBondContact O-N 2.96Å; Q40-V90 VanDerWaalsContact O-N 3.09Å; V44-V90 HydrophobicContact CG1-CG1 4.09Å; V44-V90 HydrophobicContact CG2-CG1 4.2Å; V44-V90 HydrophobicContact CG2-CG2 3.92Å; A56-V90 HydrophobicContact CB-CG1 3.86Å; Y59-V90 HydrophobicContact CD2-CG2 3.63Å; Y59-V90 HydrophobicContact CG-CG2 4.38Å; F69-V90 HydrophobicContact CE1-CB 4.15Å; F69-V90 HydrophobicContact CE1-CG1 3.49Å; F69-V90 VanDerWaalsContact CE1-CG1 3.49Å; F69-V90 HydrophobicContact CZ-CG1 3.76Å
91I91.7Very high93.1Very high28 Ų2846.7 Ų46.714%0.14425%0.251CS..EExtended strand (participates in β ladder)trans-140.9141.1176.9-172.4167.5000110.2Y36 D83 I85Y36-I91 WeakPolarHBondContact O-CD1 3.35Å; D83-I91 HydrophobicContact CB-CG2 3.83Å; D83-I91 PolarHBondContact N-O 3.38Å; D83-I91 PolarHBondContact O-N 2.78Å; I85-I91 HydrophobicContact CD1-CB 3.58Å; I85-I91 HydrophobicContact CD1-CD1 4.31Å; I85-I91 HydrophobicContact CD1-CG2 3.77Å; I85-I91 HydrophobicContact CG1-CB 4.02Å; I85-I91 HydrophobicContact CG1-CG2 3.63Å
92L91.6Very high93.2Very high8 Ų846.7 Ų46.74%0.04225%0.254CS..EExtended strand (participates in β ladder)trans-91.1100.6167.6-72.9-175.2000108.4Y34 Y59 L67 L80 R81 C82 P94Y34-L92 VanDerWaalsContact OH-CB 3.27Å; Y34-L92 WeakPolarHBondContact OH-CB 3.24Å; Y59-L92 HydrophobicContact CD1-CD1 3.81Å; Y59-L92 HydrophobicContact CD1-CD2 4Å; Y59-L92 HydrophobicContact CD1-CG 4.03Å; Y59-L92 HydrophobicContact CD2-CG 4.45Å; Y59-L92 HydrophobicContact CE1-CD1 3.49Å; Y59-L92 VanDerWaalsContact CE1-CD1 3.49Å; Y59-L92 HydrophobicContact CE1-CG 4.11Å; Y59-L92 HydrophobicContact CG-CD1 4.43Å; Y59-L92 HydrophobicContact CG-CD2 4.14Å; Y59-L92 HydrophobicContact CG-CG 4.18Å; L67-L92 HydrophobicContact CD2-CD2 3.82Å; L80-L92 HydrophobicContact CB-CB 4.39Å; L80-L92 HydrophobicContact CD1-CD1 4.12Å; R81-L92 WeakPolarHBondContact O-CA 3.04Å; C82-L92 HydrophobicContact CB-CD2 4.34Å; L92-P94 WeakPolarHBondContact O-CD 3.48Å
93T91.8Very high93.4Very high30 Ų3049.7 Ų49.718%0.18427%0.268CS..EExtended strand (participates in β ladder)trans-85.7120.8178.7-53.80000109.3R81 D83R81-T93 PolarHBondContact N-O 3.36Å; R81-T93 PolarHBondContact O-N 2.72Å; D83-T93 WeakPolarHBondContact OD2-CB 3.47Å; D83-T93 PolarHBondContact OD2-OG1 2.83Å
94P92.9Very high93.6Very high2 Ų248.1 Ų48.11%0.01326%0.259CS..EExtended strand (participates in β ladder)trans-71.9133.4173.428.9-33.1000111.1Y34 Y36 L79 L80 L92 I126Y34-P94 HydrophobicContact CD1-CB 4.31Å; Y34-P94 HydrophobicContact CD1-CG 4.18Å; Y36-P94 HydrophobicContact CD1-CG 3.24Å; Y36-P94 HydrophobicContact CD2-CG 4.49Å; Y36-P94 HydrophobicContact CE1-CG 3.3Å; Y36-P94 VanDerWaalsContact CG-CD 3.41Å; Y36-P94 HydrophobicContact CG-CG 3.88Å; L79-P94 WeakPolarHBondContact O-CA 3.33Å; L80-P94 HydrophobicContact CD2-CB 3.73Å; L92-P94 WeakPolarHBondContact O-CD 3.48Å; P94-I126 HydrophobicContact CB-CB 4.02Å; P94-I126 HydrophobicContact CB-CD1 3.92Å; P94-I126 HydrophobicContact CB-CG2 3.4Å; P94-I126 HydrophobicContact CG-CB 3.85Å; P94-I126 HydrophobicContact CG-CD1 4.41Å; P94-I126 HydrophobicContact CG-CG2 3.52Å
95S93.5Very high93.8Very high41 Ų4147.5 Ų47.529%0.28726%0.258SS..EExtended strand (participates in β ladder)trans-102.6-41.4176.957.50000112.5L79L79-S95 WeakPolarHBondContact CB-OG 3.44Å; L79-S95 PolarHBondContact O-N 3.29Å; L79-S95 PolarHBondContact O-OG 3.38Å
96K97.2Very high94.1Very high46 Ų4648 Ų4820%0.226%0.26CS..EExtended strand (participates in β ladder)trans-144.8162.4-174.6-57.1-168.8-165.8-173.50112F78 L79 E103 L104 E105F78-K96 WeakPolarHBondContact CA-O 3.42Å; L79-K96 HydrophobicContact CB-CB 4.22Å; L79-K96 HydrophobicContact CD1-CB 3.89Å; L79-K96 HydrophobicContact CD1-CD 3.92Å; L79-K96 HydrophobicContact CD1-CG 4.17Å; L79-K96 HydrophobicContact CG-CB 4.27Å; L79-K96 PolarHBondContact N-O 2.03Å; K96-E103 HydrophobicContact CD-CB 4.02Å; K96-E103 IonicContact NZ-OE2 2.68Å; K96-E103 PolarHBondContact NZ-OE2 2.91Å; K96-L104 WeakPolarHBondContact CB-O 3.47Å; K96-E105 WeakPolarHBondContact CE-OE1 3.22Å; K96-E105 WeakPolarHBondContact CE-OE2 3.16Å; K96-E105 IonicContact NZ-OE1 3.66Å; K96-E105 PolarHBondContact NZ-OE1 2.81Å
97C98Very high94.3Very high0 Ų046.6 Ų46.60%026%0.264CS..EExtended strand (participates in β ladder)trans-93.1157.4166.4-540000110.9Y77 E103 L104 C119 L128Y77-C97 CarbonylContact O-C 3.54Å; Y77-C97 WeakPolarHBondContact O-CA 3.34Å; C97-E103 WeakPolarHBondContact O-CA 3.06Å; C97-L104 HydrophobicContact CB-CB 4.32Å; C97-L104 PolarHBondContact N-O 3.5Å; C97-L104 PolarHBondContact O-N 2.97Å; C97-C119 HydrophobicContact CB-CB 3.62Å; C97-C119 WeakPolarHBondContact CB-SG 3.3Å; C97-C119 PolarHBondContact N-SG 3.34Å; C97-C119 WeakPolarHBondContact SG-CA 3.45Å; C97-C119 WeakPolarHBondContact SG-CB 3.36Å; C97-C119 CovalentContact SG-SG 2.04Å; C97-C119 PolarHBondContact SG-SG 3.28Å; C97-L128 HydrophobicContact CB-CB 4.32Å; C97-L128 HydrophobicContact CB-CD1 3.95Å
98L97.5Very high94.7Very high14 Ų1446.3 Ų46.37%0.07326%0.26CS..EExtended strand (participates in β ladder)trans-124.1126.9176.3-66.1173.6000109.6R74 S75 Y77 L79 K102 E103 L128R74-L98 HydrophobicContact CB-CD1 4.41Å; S75-L98 VanDerWaalsContact O-CD1 3.25Å; S75-L98 WeakPolarHBondContact O-CD1 3.5Å; Y77-L98 PolarHBondContact O-N 2.83Å; L79-L98 HydrophobicContact CD1-CD2 4.33Å; L79-L98 HydrophobicContact CD2-CD1 3.8Å; L79-L98 HydrophobicContact CD2-CD2 4.02Å; L79-L98 HydrophobicContact CD2-CG 4.18Å; L79-L98 HydrophobicContact CG-CD1 4.15Å; L79-L98 HydrophobicContact CG-CD2 3.91Å; L79-L98 HydrophobicContact CG-CG 4.03Å; L98-K102 WeakPolarHBondContact CA-O 3.41Å; L98-E103 HydrophobicContact CD2-CB 4.34Å; L98-E103 HydrophobicContact CD2-CG 3.74Å; L98-L128 WeakPolarHBondContact O-CD2 3.23Å
99L96.9Very high95.1Very high14 Ų1448.4 Ų48.47%0.07326%0.264CS..EExtended strand (participates in β ladder)trans-135.9117174.5-177.957.9000110G101 K102 L104 L110 Y117 L128L99-G101 PolarHBondContact O-N 3.46Å; L99-K102 PolarHBondContact N-O 3Å; L99-K102 WeakPolarHBondContact O-CB 3.33Å; L99-K102 PolarHBondContact O-N 3.18Å; L99-L104 HydrophobicContact CB-CD1 4.15Å; L99-L110 HydrophobicContact CB-CD2 4.18Å; L99-L110 HydrophobicContact CD2-CB 4.24Å; L99-L110 HydrophobicContact CD2-CD2 4.06Å; L99-L110 HydrophobicContact CD2-CG 4.36Å; L99-L110 HydrophobicContact CG-CD2 4.23Å; L99-Y117 HydrophobicContact CD2-CD1 4.46Å; L99-Y117 HydrophobicContact CD2-CD2 3.62Å; L99-Y117 HydrophobicContact CD2-CE2 4.44Å; L99-Y117 HydrophobicContact CD2-CG 3.62Å; L99-L128 HydrophobicContact CB-CD1 4.44Å; L99-L128 HydrophobicContact CB-CD2 4.13Å; L99-L128 HydrophobicContact CD1-CD2 4.16Å
100K93.5Very high95.4Very high170 Ų17050.1 Ų50.174%0.73927%0.273SS*.THydrogen-bonded Turntrans50.740.6-177.1-67177.8165.7166.90113K102 S112K100-K102 VanDerWaalsContact C-N 3.26Å; K100-K102 PolarHBondContact O-N 3.17Å; K100-S112 WeakPolarHBondContact CE-OG 3.24Å; K100-S112 PolarHBondContact NZ-OG 2.05Å
101G92.3Very high95.6Very high76 Ų7654.8 Ų54.878%0.78430%0.295SS*.THydrogen-bonded Turntrans80.6-5.7-179.800000115.4L99L99-G101 PolarHBondContact O-N 3.46Å
102K96.5Very high95.8Very high112 Ų11254.3 Ų54.349%0.48729%0.294SS..EExtended strand (participates in β ladder)trans-89132.4174.6-175.2171.5174.5-172.50110.8L98 L99 K100 L110L98-K102 WeakPolarHBondContact CA-O 3.41Å; L99-K102 PolarHBondContact N-O 3Å; L99-K102 WeakPolarHBondContact O-CB 3.33Å; L99-K102 PolarHBondContact O-N 3.18Å; K100-K102 VanDerWaalsContact C-N 3.26Å; K100-K102 PolarHBondContact O-N 3.17Å; K102-L110 HydrophobicContact CB-CD2 4.12Å; K102-L110 HydrophobicContact CD-CD1 4.09Å; K102-L110 HydrophobicContact CD-CD2 3.85Å; K102-L110 HydrophobicContact CG-CD2 4.34Å
103E97.1Very high96Very high62 Ų6256 Ų5629%0.2931%0.313SS..EExtended strand (participates in β ladder)trans-77.6136.6171.5-53.2-171.317600110.2R74 L79 K96 C97 L98R74-E103 IonicContact CZ-OE1 2.72Å; R74-E103 IonicContact NE-OE1 3.02Å; R74-E103 IonicContact NH2-OE1 3.9Å; R74-E103 PolarHBondContact NH2-OE1 3.09Å; L79-E103 HydrophobicContact CD1-CB 4.5Å; L79-E103 HydrophobicContact CD1-CG 3.91Å; L79-E103 WeakPolarHBondContact CD1-OE1 2.99Å; K96-E103 HydrophobicContact CD-CB 4.02Å; K96-E103 IonicContact NZ-OE2 2.68Å; K96-E103 PolarHBondContact NZ-OE2 2.91Å; C97-E103 WeakPolarHBondContact O-CA 3.06Å; L98-E103 HydrophobicContact CD2-CB 4.34Å; L98-E103 HydrophobicContact CD2-CG 3.74Å
104L98Very high96.2Very high1 Ų158.5 Ų58.51%0.00532%0.319CS..EExtended strand (participates in β ladder)trans-122.2123176.3-62.4171.3000109.5K96 C97 L99 E108 L110 C119 L128K96-L104 WeakPolarHBondContact CB-O 3.47Å; C97-L104 HydrophobicContact CB-CB 4.32Å; C97-L104 PolarHBondContact N-O 3.5Å; C97-L104 PolarHBondContact O-N 2.97Å; L99-L104 HydrophobicContact CB-CD1 4.15Å; L104-E108 WeakPolarHBondContact CA-OE2 3.41Å; L104-E108 HydrophobicContact CB-CB 4.32Å; L104-E108 HydrophobicContact CD2-CB 4.26Å; L104-L110 HydrophobicContact CD1-CB 3.92Å; L104-L110 HydrophobicContact CD2-CB 3.75Å; L104-L110 HydrophobicContact CD2-CD2 4.27Å; L104-L110 HydrophobicContact CG-CB 4.45Å; L104-C119 HydrophobicContact CB-CB 4.06Å; L104-L128 HydrophobicContact CD1-CD1 3.98Å
105E97.9Very high96.5Very high82 Ų8258.8 Ų58.838%0.38332%0.321SS..  trans-66157.8169.5-57.1-61.316000110.4K96 G107 E108 C119K96-E105 WeakPolarHBondContact CE-OE1 3.22Å; K96-E105 WeakPolarHBondContact CE-OE2 3.16Å; K96-E105 IonicContact NZ-OE1 3.66Å; K96-E105 PolarHBondContact NZ-OE1 2.81Å; E105-G107 PolarHBondContact O-N 2.88Å; E105-E108 HydrophobicContact CB-CG 3.86Å; E105-E108 PolarHBondContact N-OE2 3.06Å; E105-E108 VanDerWaalsContact O-CB 3.3Å; E105-E108 WeakPolarHBondContact O-CB 3.01Å; E105-E108 PolarHBondContact O-N 3.37Å; E105-C119 WeakPolarHBondContact O-CB 3.46Å
106I96.3Very high96.7Very high81 Ų8157.7 Ų57.742%0.41531%0.311SS..THydrogen-bonded Turntrans-61.4125.7176.4-61.9162.5000109K121 I126I106-K121 HydrophobicContact CD1-CB 4.15Å; I106-K121 HydrophobicContact CD1-CD 3.66Å; I106-K121 HydrophobicContact CG1-CB 4.4Å; I106-K121 HydrophobicContact CG2-CB 3.86Å; I106-I126 HydrophobicContact CG1-CD1 4.42Å
107G96.6Very high96.8Very high46 Ų4655.8 Ų55.847%0.47430%0.303SS..THydrogen-bonded Turntrans94.4-15.3-174.800000114.1E105 C119E105-G107 PolarHBondContact O-N 2.88Å; G107-C119 PolarHBondContact N-O 3.31Å
108E98Very high96.8Very high88 Ų8856 Ų5641%0.41130%0.304SS..  trans-73150176.9-71.6-174.4162.100112.3L104 E105 T118 C119L104-E108 WeakPolarHBondContact CA-OE2 3.41Å; L104-E108 HydrophobicContact CB-CB 4.32Å; L104-E108 HydrophobicContact CD2-CB 4.26Å; E105-E108 HydrophobicContact CB-CG 3.86Å; E105-E108 PolarHBondContact N-OE2 3.06Å; E105-E108 VanDerWaalsContact O-CB 3.3Å; E105-E108 WeakPolarHBondContact O-CB 3.01Å; E105-E108 PolarHBondContact O-N 3.37Å; E108-T118 WeakPolarHBondContact O-CA 3.48Å; E108-C119 PolarHBondContact O-N 3.09Å
109Q97Very high96.8Very high113 Ų11355.4 Ų55.453%0.52830%0.301SS..EExtended strand (participates in β ladder)trans-120.1146179.8-50.1-169.816.600111.2M116 Y117 T118Q109-M116 HydrophobicContact CB-CG 4.3Å; Q109-M116 HydrophobicContact CB-SD 3.85Å; Q109-Y117 CarbonylContact C-O 3.59Å; Q109-Y117 WeakPolarHBondContact CA-O 3.47Å; Q109-T118 HydrophobicContact CG-CG2 3.89Å; Q109-T118 WeakPolarHBondContact CG-OG1 3.49Å
110L97.3Very high96.8Very high38 Ų3857.2 Ų57.220%0.19931%0.31CS..EExtended strand (participates in β ladder)trans-144127.6174.4-173.566.7000110.7L99 K102 L104 Y117L99-L110 HydrophobicContact CB-CD2 4.18Å; L99-L110 HydrophobicContact CD2-CB 4.24Å; L99-L110 HydrophobicContact CD2-CD2 4.06Å; L99-L110 HydrophobicContact CD2-CG 4.36Å; L99-L110 HydrophobicContact CG-CD2 4.23Å; K102-L110 HydrophobicContact CB-CD2 4.12Å; K102-L110 HydrophobicContact CD-CD1 4.09Å; K102-L110 HydrophobicContact CD-CD2 3.85Å; K102-L110 HydrophobicContact CG-CD2 4.34Å; L104-L110 HydrophobicContact CD1-CB 3.92Å; L104-L110 HydrophobicContact CD2-CB 3.75Å; L104-L110 HydrophobicContact CD2-CD2 4.27Å; L104-L110 HydrophobicContact CG-CB 4.45Å; L110-Y117 PolarHBondContact N-O 3.03Å; L110-Y117 WeakPolarHBondContact O-CB 3.46Å; L110-Y117 PolarHBondContact O-N 2.86Å
111Q96.5Very high96.9Very high98 Ų9854 Ų5446%0.45830%0.297SS..EExtended strand (participates in β ladder)trans-72.4130.7170.5178.5179.8-13.300110G113 M116 V134Q111-G113 PolarHBondContact NE2-O 2.84Å; Q111-M116 HydrophobicContact CB-CE 3.96Å; Q111-M116 HydrophobicContact CB-SD 4.26Å; Q111-M116 PolarHBondContact N-SD 3.15Å; Q111-M116 VanDerWaalsContact N-SD 3.43Å; Q111-V134 HydrophobicContact CG-CG2 4.08Å
112S96.5Very high96.8Very high19 Ų1955 Ų5513%0.13328%0.281CS..EExtended strand (participates in β ladder)trans-131.7106.3169.71790000109.8K100 W114 F115K100-S112 WeakPolarHBondContact CE-OG 3.24Å; K100-S112 PolarHBondContact NZ-OG 2.05Å; S112-W114 PolarHBondContact O-N 2.89Å; S112-F115 PolarHBondContact N-O 3.28Å; S112-F115 PolarHBondContact O-N 2.82Å
113G95.2Very high96.3Very high43 Ų4362 Ų6244%0.44330%0.304SS..THydrogen-bonded Turntrans63.8-117.9-174.100000110.9Q111Q111-G113 PolarHBondContact NE2-O 2.84Å
114W96.5Very high95.9Very high82 Ų8260 Ų6031%0.31130%0.3SS..THydrogen-bonded Turntrans-96.47.8-173.9-61.397.7000113.9K27 S112 V134 D136 H165K27-W114 HydrophobicContact CB-CB 4.23Å; K27-W114 HydrophobicContact CB-CG 4.28Å; K27-W114 HydrophobicContact CD-CG 4.28Å; K27-W114 HydrophobicContact CG-CB 4.28Å; K27-W114 HydrophobicContact CG-CD2 4.29Å; K27-W114 HydrophobicContact CG-CG 3.81Å; S112-W114 PolarHBondContact O-N 2.89Å; W114-V134 PolarHBondContact O-N 3.03Å; W114-D136 WeakPolarHBondContact CH2-OD1 3.45Å; W114-D136 WeakPolarHBondContact CZ3-OD1 3.5Å; W114-H165 PolarHBondContact O-NE2 2.95Å; W114-H165 VanDerWaalsContact O-NE2 3.14Å
115F98.2Very high95.6Very high9 Ų963.3 Ų63.34%0.03931%0.312CS..EExtended strand (participates in β ladder)trans-132.3143.6-172.3-60.8-81.2000111.1K27 S112 Y117 I130 G132 V163 H165K27-F115 HydrophobicContact CB-CE2 4.14Å; K27-F115 HydrophobicContact CB-CZ 4.06Å; S112-F115 PolarHBondContact N-O 3.28Å; S112-F115 PolarHBondContact O-N 2.82Å; F115-Y117 HydrophobicContact CB-CD2 4.36Å; F115-Y117 HydrophobicContact CB-CE2 3.92Å; F115-I130 HydrophobicContact CB-CG1 4.49Å; F115-I130 HydrophobicContact CB-CG2 4Å; F115-I130 HydrophobicContact CD1-CD1 4.36Å; F115-I130 HydrophobicContact CD1-CG2 3.82Å; F115-I130 HydrophobicContact CG-CD1 4.42Å; F115-I130 HydrophobicContact CG-CG2 4.31Å; F115-G132 WeakPolarHBondContact CA-O 3.43Å; F115-V163 HydrophobicContact CD1-CB 4.25Å; F115-V163 HydrophobicContact CD1-CG1 4.1Å; F115-V163 HydrophobicContact CE1-CB 4.06Å; F115-V163 HydrophobicContact CE1-CG1 3.89Å; F115-V163 WeakPolarHBondContact CE1-O 3.04Å; F115-H165 AromaticContact CE1-CD2 3.56Å; F115-H165 AromaticContact CE1-NE2 3.6Å; F115-H165 AromaticContact CZ-CD2 3.72Å; F115-H165 AromaticContact CZ-NE2 3.82Å
116M98Very high95.5Very high17 Ų1759.4 Ų59.48%0.08429%0.294CS..EExtended strand (participates in β ladder)trans-94120.3170.2-17357.476.800109Q109 Q111 I130 T131 G132 I140Q109-M116 HydrophobicContact CB-CG 4.3Å; Q109-M116 HydrophobicContact CB-SD 3.85Å; Q111-M116 HydrophobicContact CB-CE 3.96Å; Q111-M116 HydrophobicContact CB-SD 4.26Å; Q111-M116 PolarHBondContact N-SD 3.15Å; Q111-M116 VanDerWaalsContact N-SD 3.43Å; M116-I130 CarbonylContact O-C 3.45Å; M116-I130 WeakPolarHBondContact O-CA 3.14Å; M116-T131 PolarHBondContact O-N 2.96Å; M116-T131 PolarHBondContact O-OG1 2.86Å; M116-G132 PolarHBondContact N-O 3.16Å; M116-I140 HydrophobicContact CB-CG2 4.14Å; M116-I140 HydrophobicContact CE-CD1 3.35Å; M116-I140 HydrophobicContact CE-CG1 4Å
117Y98.4Very high95.5Very high7 Ų755.6 Ų55.63%0.02728%0.275CS..EExtended strand (participates in β ladder)trans-101.3141.4176-76.4-91000110.2S29 T30 L99 Q109 L110 F115 L128 E129 I130S29-Y117 PolarHBondContact OG-OH 3.5Å; T30-Y117 WeakPolarHBondContact O-CE1 3.46Å; T30-Y117 PolarHBondContact O-OH 2.75Å; T30-Y117 VanDerWaalsContact O-OH 3.05Å; L99-Y117 HydrophobicContact CD2-CD1 4.46Å; L99-Y117 HydrophobicContact CD2-CD2 3.62Å; L99-Y117 HydrophobicContact CD2-CE2 4.44Å; L99-Y117 HydrophobicContact CD2-CG 3.62Å; Q109-Y117 CarbonylContact C-O 3.59Å; Q109-Y117 WeakPolarHBondContact CA-O 3.47Å; L110-Y117 PolarHBondContact N-O 3.03Å; L110-Y117 WeakPolarHBondContact O-CB 3.46Å; L110-Y117 PolarHBondContact O-N 2.86Å; F115-Y117 HydrophobicContact CB-CD2 4.36Å; F115-Y117 HydrophobicContact CB-CE2 3.92Å; Y117-L128 HydrophobicContact CD1-CD1 4.13Å; Y117-L128 HydrophobicContact CD1-CD2 4.45Å; Y117-L128 HydrophobicContact CD1-CG 3.78Å; Y117-L128 HydrophobicContact CE1-CG 4.43Å; Y117-L128 HydrophobicContact CG-CD1 4.41Å; Y117-L128 HydrophobicContact CG-CG 4.49Å; Y117-E129 CarbonylContact C-O 3.56Å; Y117-E129 WeakPolarHBondContact CA-O 3.44Å; Y117-I130 HydrophobicContact CD1-CG1 3.8Å; Y117-I130 HydrophobicContact CE1-CD1 4.03Å; Y117-I130 HydrophobicContact CE1-CG1 3.34Å; Y117-I130 HydrophobicContact CE2-CG1 4.19Å; Y117-I130 HydrophobicContact CG-CG1 4.43Å
118T98.1Very high95.6Very high5 Ų553.4 Ų53.43%0.03125%0.252CS..EExtended strand (participates in β ladder)trans-127.8135.7175.4-53.10000109.8E108 Q109 L120 E129 T131E108-T118 WeakPolarHBondContact O-CA 3.48Å; Q109-T118 HydrophobicContact CG-CG2 3.89Å; Q109-T118 WeakPolarHBondContact CG-OG1 3.49Å; T118-L120 HydrophobicContact CG2-CD2 3.53Å; T118-L120 HydrophobicContact CG2-CG 3.81Å; T118-L120 PolarHBondContact O-N 2.78Å; T118-E129 PolarHBondContact N-O 2.85Å; T118-E129 PolarHBondContact O-N 3.26Å; T118-T131 HydrophobicContact CG2-CG2 4.47Å; T118-T131 WeakPolarHBondContact OG1-CG2 3.47Å; T118-T131 PolarHBondContact OG1-OG1 3.17Å
119C98.3Very high95.6Very high0 Ų050.7 Ų50.70%024%0.24CC..EExtended strand (participates in β ladder)trans-82108.8171.8-168.70000109.8C97 L104 E105 G107 E108 G127C97-C119 HydrophobicContact CB-CB 3.62Å; C97-C119 WeakPolarHBondContact CB-SG 3.3Å; C97-C119 PolarHBondContact N-SG 3.34Å; C97-C119 WeakPolarHBondContact SG-CA 3.45Å; C97-C119 WeakPolarHBondContact SG-CB 3.36Å; C97-C119 CovalentContact SG-SG 2.04Å; C97-C119 PolarHBondContact SG-SG 3.28Å; L104-C119 HydrophobicContact CB-CB 4.06Å; E105-C119 WeakPolarHBondContact O-CB 3.46Å; G107-C119 PolarHBondContact N-O 3.31Å; E108-C119 PolarHBondContact O-N 3.09Å; C119-G127 CarbonylContact C-O 3.55Å; C119-G127 WeakPolarHBondContact CA-O 3.37Å
120L97.2Very high95.6Very high52 Ų5245.9 Ų45.927%0.27222%0.217SC..EExtended strand (participates in β ladder)trans-115.2137.9-176.2-64.8179000110.9T118 I126 G127 E129 T131T118-L120 HydrophobicContact CG2-CD2 3.53Å; T118-L120 HydrophobicContact CG2-CG 3.81Å; T118-L120 PolarHBondContact O-N 2.78Å; L120-I126 CarbonylContact O-C 3.54Å; L120-I126 WeakPolarHBondContact O-CA 3.28Å; L120-I126 WeakPolarHBondContact O-CG1 3.37Å; L120-G127 PolarHBondContact N-O 3.11Å; L120-G127 PolarHBondContact O-N 2.93Å; L120-E129 HydrophobicContact CD1-CB 4.09Å; L120-E129 HydrophobicContact CD1-CG 4.36Å; L120-E129 WeakPolarHBondContact CD1-OE2 3.3Å; L120-T131 HydrophobicContact CD1-CG2 4.35Å
121K94.4Very high95.6Very high104 Ų10446.3 Ų46.345%0.45222%0.222SC..EExtended strand (participates in β ladder)trans-113.6123.7173.6-173.2174.5179.71770109.5Y36 I106Y36-K121 WeakPolarHBondContact OH-CE 3.49Å; I106-K121 HydrophobicContact CD1-CB 4.15Å; I106-K121 HydrophobicContact CD1-CD 3.66Å; I106-K121 HydrophobicContact CG1-CB 4.4Å; I106-K121 HydrophobicContact CG2-CB 3.86Å
122Q90.4Very high95.7Very high97 Ų9741.6 Ų41.645%0.45320%0.2SC..EExtended strand (participates in β ladder)trans-119.4166.3172.8-62.8-178.87.800108.9Y36 G124 R125Y36-Q122 PolarHBondContact OH-O 3.21Å; Q122-G124 PolarHBondContact O-N 2.86Å; Q122-R125 CarbonylContact C-O 3.54Å; Q122-R125 PolarHBondContact N-O 2.78Å; Q122-R125 PolarHBondContact O-N 3.37Å
123R86.3Confident95.8Very high257 Ų25740.7 Ų40.797%0.9719%0.193SC*.THydrogen-bonded Turntrans-54.8109.8-174.7-71.2-176.5178.6178.2-0.1111R125R123-R125 VanDerWaalsContact C-N 3.3Å; R123-R125 PolarHBondContact O-N 3.21Å
124G88.2Confident95.9Very high20 Ų2038.7 Ų38.721%0.20617%0.173CC..THydrogen-bonded Turntrans76.27.2-18000000115.8Y36 S37 Q122Y36-G124 WeakPolarHBondContact CD1-O 3.14Å; Y36-G124 PolarHBondContact N-O 2.62Å; S37-G124 PolarHBondContact N-O 2.98Å; Q122-G124 PolarHBondContact O-N 2.86Å
125R92.7Very high95.8Very high71 Ų7135.1 Ų35.127%0.26816%0.16SC..EExtended strand (participates in β ladder)trans-139.8139.8-178.8-167.5-179.679.9178.79.4112.1H33 Y34 E35 Y36 Q122 R123 E129H33-R125 HydrophobicContact CB-CG 4.42Å; Y34-R125 WeakPolarHBondContact O-CA 3.37Å; E35-R125 HydrophobicContact CG-CG 4.39Å; Y36-R125 VanDerWaalsContact CE1-CA 3.47Å; Y36-R125 VanDerWaalsContact CE1-N 3.26Å; Q122-R125 CarbonylContact C-O 3.54Å; Q122-R125 PolarHBondContact N-O 2.78Å; Q122-R125 PolarHBondContact O-N 3.37Å; R123-R125 VanDerWaalsContact C-N 3.3Å; R123-R125 PolarHBondContact O-N 3.21Å; R125-E129 IonicContact CZ-OE1 3.9Å; R125-E129 IonicContact NH2-OE1 3.48Å; R125-E129 PolarHBondContact NH2-OE1 2.91Å
126I95.7Very high95.5Very high0 Ų037.9 Ų37.90%018%0.175CC..EExtended strand (participates in β ladder)trans-114.2143.4164.3-165.3169.5000107.6H33 Y34 Y36 F78 P94 I106 L120H33-I126 WeakPolarHBondContact CA-O 3.39Å; Y34-I126 HydrophobicContact CD1-CG2 4.41Å; Y34-I126 PolarHBondContact N-O 2.81Å; Y34-I126 PolarHBondContact O-N 2.85Å; Y36-I126 HydrophobicContact CE1-CB 4.36Å; F78-I126 HydrophobicContact CD1-CG2 3.61Å; F78-I126 HydrophobicContact CE1-CG2 3.73Å; F78-I126 HydrophobicContact CG-CG2 4.3Å; F78-I126 HydrophobicContact CZ-CG2 4.47Å; P94-I126 HydrophobicContact CB-CB 4.02Å; P94-I126 HydrophobicContact CB-CD1 3.92Å; P94-I126 HydrophobicContact CB-CG2 3.4Å; P94-I126 HydrophobicContact CG-CB 3.85Å; P94-I126 HydrophobicContact CG-CD1 4.41Å; P94-I126 HydrophobicContact CG-CG2 3.52Å; I106-I126 HydrophobicContact CG1-CD1 4.42Å; L120-I126 CarbonylContact O-C 3.54Å; L120-I126 WeakPolarHBondContact O-CA 3.28Å; L120-I126 WeakPolarHBondContact O-CG1 3.37Å
127G97Very high95.3Very high1 Ų143 Ų431%0.0121%0.208CC..EExtended strand (participates in β ladder)trans-133.9132.3-177.900000111Y32 C119 L120 E129Y32-G127 CarbonylContact O-C 3.4Å; Y32-G127 VanDerWaalsContact O-CA 3.26Å; Y32-G127 WeakPolarHBondContact O-CA 3.33Å; C119-G127 CarbonylContact C-O 3.55Å; C119-G127 WeakPolarHBondContact CA-O 3.37Å; L120-G127 PolarHBondContact N-O 3.11Å; L120-G127 PolarHBondContact O-N 2.93Å; G127-E129 PolarHBondContact O-N 2.9Å
128L97.7Very high95.1Very high0 Ų044.5 Ų44.50%023%0.225CC..EExtended strand (participates in β ladder)trans-89.983.3160.1-178.361.6000106.4S31 Y32 Y77 F78 C97 L98 L99 L104 Y117S31-L128 WeakPolarHBondContact CA-O 3.25Å; Y32-L128 HydrophobicContact CD2-CD2 4.29Å; Y32-L128 PolarHBondContact N-O 2.83Å; Y32-L128 PolarHBondContact O-N 3.24Å; Y77-L128 HydrophobicContact CD1-CD2 4.2Å; F78-L128 HydrophobicContact CE1-CB 4.31Å; C97-L128 HydrophobicContact CB-CB 4.32Å; C97-L128 HydrophobicContact CB-CD1 3.95Å; L98-L128 WeakPolarHBondContact O-CD2 3.23Å; L99-L128 HydrophobicContact CB-CD1 4.44Å; L99-L128 HydrophobicContact CB-CD2 4.13Å; L99-L128 HydrophobicContact CD1-CD2 4.16Å; L104-L128 HydrophobicContact CD1-CD1 3.98Å; Y117-L128 HydrophobicContact CD1-CD1 4.13Å; Y117-L128 HydrophobicContact CD1-CD2 4.45Å; Y117-L128 HydrophobicContact CD1-CG 3.78Å; Y117-L128 HydrophobicContact CE1-CG 4.43Å; Y117-L128 HydrophobicContact CG-CD1 4.41Å; Y117-L128 HydrophobicContact CG-CG 4.49Å
129E97.5Very high95Very high32 Ų3249.7 Ų49.715%0.1525%0.248CC..EExtended strand (participates in β ladder)trans-95.8137-167.9-62.8-171.2-16800110.9H33 Y117 T118 L120 R125 G127 T131H33-E129 IonicContact CD2-OE1 3.75Å; H33-E129 IonicContact NE2-OE1 2.82Å; H33-E129 PolarHBondContact NE2-OE1 3.06Å; Y117-E129 CarbonylContact C-O 3.56Å; Y117-E129 WeakPolarHBondContact CA-O 3.44Å; T118-E129 PolarHBondContact N-O 2.85Å; T118-E129 PolarHBondContact O-N 3.26Å; L120-E129 HydrophobicContact CD1-CB 4.09Å; L120-E129 HydrophobicContact CD1-CG 4.36Å; L120-E129 WeakPolarHBondContact CD1-OE2 3.3Å; R125-E129 IonicContact CZ-OE1 3.9Å; R125-E129 IonicContact NH2-OE1 3.48Å; R125-E129 PolarHBondContact NH2-OE1 2.91Å; G127-E129 PolarHBondContact O-N 2.9Å; E129-T131 PolarHBondContact O-N 2.99Å
130I98.2Very high94.9Very high11 Ų1153.3 Ų53.36%0.05627%0.266CS..EExtended strand (participates in β ladder)trans-76.3116.6170.5-60.1168.2000108.5S31 F115 M116 Y117 V163S31-I130 PolarHBondContact OG-N 2.55Å; F115-I130 HydrophobicContact CB-CG1 4.49Å; F115-I130 HydrophobicContact CB-CG2 4Å; F115-I130 HydrophobicContact CD1-CD1 4.36Å; F115-I130 HydrophobicContact CD1-CG2 3.82Å; F115-I130 HydrophobicContact CG-CD1 4.42Å; F115-I130 HydrophobicContact CG-CG2 4.31Å; M116-I130 CarbonylContact O-C 3.45Å; M116-I130 WeakPolarHBondContact O-CA 3.14Å; Y117-I130 HydrophobicContact CD1-CG1 3.8Å; Y117-I130 HydrophobicContact CE1-CD1 4.03Å; Y117-I130 HydrophobicContact CE1-CG1 3.34Å; Y117-I130 HydrophobicContact CE2-CG1 4.19Å; Y117-I130 HydrophobicContact CG-CG1 4.43Å; I130-V163 HydrophobicContact CB-CB 4.19Å; I130-V163 HydrophobicContact CB-CG2 3.62Å; I130-V163 HydrophobicContact CD1-CB 3.97Å; I130-V163 HydrophobicContact CD1-CG2 4.05Å; I130-V163 HydrophobicContact CG1-CG2 4.44Å; I130-V163 HydrophobicContact CG2-CB 3.76Å; I130-V163 HydrophobicContact CG2-CG1 3.98Å; I130-V163 HydrophobicContact CG2-CG2 3.6Å
131T97Very high95Very high47 Ų4750.9 Ų50.929%0.28825%0.253SS..EExtended strand (participates in β ladder)trans-103-10.9-178.452.80000113.4M116 T118 L120 E129M116-T131 PolarHBondContact O-N 2.96Å; M116-T131 PolarHBondContact O-OG1 2.86Å; T118-T131 HydrophobicContact CG2-CG2 4.47Å; T118-T131 WeakPolarHBondContact OG1-CG2 3.47Å; T118-T131 PolarHBondContact OG1-OG1 3.17Å; L120-T131 HydrophobicContact CD1-CG2 4.35Å; E129-T131 PolarHBondContact O-N 2.99Å
132G97.9Very high95.1Very high0 Ų053 Ų530%026%0.263CS..EExtended strand (participates in β ladder)trans-168.5168.117800000114.7F115 M116 A141F115-G132 WeakPolarHBondContact CA-O 3.43Å; M116-G132 PolarHBondContact N-O 3.16Å; G132-A141 CarbonylContact C-O 3.56Å; G132-A141 WeakPolarHBondContact CA-O 3.26Å
133C98.3Very high95.5Very high0 Ų051.8 Ų51.80%026%0.259CS..EExtended strand (participates in β ladder)trans-105.7142.6175.2-63.40000109.7I140 A141 F147 C156 H165C133-I140 CarbonylContact O-C 3.5Å; C133-I140 WeakPolarHBondContact O-CA 3.04Å; C133-A141 PolarHBondContact N-O 2.85Å; C133-A141 PolarHBondContact O-N 3.19Å; C133-F147 HydrophobicContact CB-CD1 4.46Å; C133-F147 HydrophobicContact CB-CE1 3.6Å; C133-F147 HydrophobicContact CB-CE2 4.31Å; C133-F147 HydrophobicContact CB-CZ 3.5Å; C133-C156 HydrophobicContact CB-CB 3.61Å; C133-C156 WeakPolarHBondContact CB-SG 3.1Å; C133-C156 PolarHBondContact N-SG 2.98Å; C133-C156 WeakPolarHBondContact SG-CA 3.16Å; C133-C156 WeakPolarHBondContact SG-CB 3.24Å; C133-C156 CovalentContact SG-SG 2.03Å; C133-C156 PolarHBondContact SG-SG 3.1Å; C133-H165 WeakPolarHBondContact CB-NE2 3.29Å; C133-H165 PolarHBondContact SG-CD2 2.94Å
134V97.6Very high96Very high1 Ų142.8 Ų42.81%0.00624%0.239CC..EExtended strand (participates in β ladder)trans-106.6132.6-177.4-170.30000110.2Q111 W114 F139 I140Q111-V134 HydrophobicContact CG-CG2 4.08Å; W114-V134 PolarHBondContact O-N 3.03Å; V134-F139 WeakPolarHBondContact CA-O 3.01Å; V134-I140 HydrophobicContact CG2-CG1 4.42Å
135S95.6Very high96.5Very high7 Ų744.9 Ų44.95%0.04925%0.246CC..  trans-78.5175.4174.976.90000112.1T137 G138 F139 S148S135-T137 PolarHBondContact O-N 2.71Å; S135-T137 PolarHBondContact OG-N 3.08Å; S135-T137 VanDerWaalsContact OG-N 3.08Å; S135-T137 PolarHBondContact OG-OG1 3.39Å; S135-G138 PolarHBondContact O-N 3.32Å; S135-G138 PolarHBondContact OG-N 3.28Å; S135-F139 PolarHBondContact N-O 2.94Å; S135-F139 WeakPolarHBondContact OG-CB 3.34Å; S135-F139 PolarHBondContact OG-N 3.39Å; S135-S148 WeakPolarHBondContact CB-O 3.45Å
136D91.8Very high96.7Very high67 Ų6746 Ų4636%0.35826%0.256SS..THydrogen-bonded Turntrans-66.7-20.7172.2-55.4-36.7000112.7W114 R149 K150W114-D136 WeakPolarHBondContact CH2-OD1 3.45Å; W114-D136 WeakPolarHBondContact CZ3-OD1 3.5Å; D136-R149 IonicContact OD1-NE 3.61Å; D136-R149 WeakPolarHBondContact OD2-CA 3.37Å; D136-R149 WeakPolarHBondContact OD2-CB 3.38Å; D136-K150 VanDerWaalsContact OD2-CG 3.28Å; D136-K150 WeakPolarHBondContact OD2-CG 3.33Å; D136-K150 PolarHBondContact OD2-N 2.54Å
137T93.2Very high96.8Very high124 Ų12446.4 Ų46.476%0.76126%0.258SS*.THydrogen-bonded Turntrans-92.1-0.1178.458.50000113.3S135 F139S135-T137 PolarHBondContact O-N 2.71Å; S135-T137 PolarHBondContact OG-N 3.08Å; S135-T137 VanDerWaalsContact OG-N 3.08Å; S135-T137 PolarHBondContact OG-OG1 3.39Å; T137-F139 VanDerWaalsContact C-N 3.31Å
138G94.1Very high96.7Very high39 Ų3949 Ų4940%0.40228%0.276SS..  trans81.93.8-175.400000114.6S135S135-G138 PolarHBondContact O-N 3.32Å; S135-G138 PolarHBondContact OG-N 3.28Å
139F95.8Very high96.5Very high114 Ų11449.6 Ų49.650%0.528%0.278SS..  trans-64.1135.2171.4172.6-97.9000110.3V134 S135 T137 A141 F147V134-F139 WeakPolarHBondContact CA-O 3.01Å; S135-F139 PolarHBondContact N-O 2.94Å; S135-F139 WeakPolarHBondContact OG-CB 3.34Å; S135-F139 PolarHBondContact OG-N 3.39Å; T137-F139 VanDerWaalsContact C-N 3.31Å; F139-A141 HydrophobicContact CD1-CB 4.44Å; F139-A141 HydrophobicContact CE1-CB 3.93Å; F139-F147 HydrophobicContact CD1-CB 4.15Å; F139-F147 HydrophobicContact CE1-CB 4.17Å
140I97.3Very high96.2Very high76 Ų7655.2 Ų55.239%0.3930%0.302SS..EExtended strand (participates in β ladder)trans-103.6106-179-55.8158.5000108.6M116 C133 V134M116-I140 HydrophobicContact CB-CG2 4.14Å; M116-I140 HydrophobicContact CE-CD1 3.35Å; M116-I140 HydrophobicContact CE-CG1 4Å; C133-I140 CarbonylContact O-C 3.5Å; C133-I140 WeakPolarHBondContact O-CA 3.04Å; V134-I140 HydrophobicContact CG2-CG1 4.42Å
141A98Very high96Very high0 Ų056.2 Ų56.20%031%0.31CS..EExtended strand (participates in β ladder)trans-81131.9171.100000109.6G132 C133 F139 D145 F147 C156G132-A141 CarbonylContact C-O 3.56Å; G132-A141 WeakPolarHBondContact CA-O 3.26Å; C133-A141 PolarHBondContact N-O 2.85Å; C133-A141 PolarHBondContact O-N 3.19Å; F139-A141 HydrophobicContact CD1-CB 4.44Å; F139-A141 HydrophobicContact CE1-CB 3.93Å; A141-D145 HydrophobicContact CB-CB 3.76Å; A141-F147 HydrophobicContact CB-CB 3.82Å; A141-F147 HydrophobicContact CB-CD1 3.49Å; A141-F147 VanDerWaalsContact CB-CD1 3.49Å; A141-F147 HydrophobicContact CB-CE1 4.24Å; A141-F147 HydrophobicContact CB-CG 3.78Å; A141-C156 HydrophobicContact CB-CB 4.46Å
142K98Very high96Very high149 Ų14954 Ų5465%0.64830%0.296SS*.EExtended strand (participates in β ladder)trans-70166171.4-59.5177.4-179.2175.10109.8A144 D145 C156K142-A144 PolarHBondContact O-N 3.07Å; K142-D145 VanDerWaalsContact CB-OD2 3.26Å; K142-D145 WeakPolarHBondContact CB-OD2 3.49Å; K142-D145 PolarHBondContact N-OD2 2.86Å; K142-D145 VanDerWaalsContact O-CB 3.3Å; K142-D145 WeakPolarHBondContact O-CB 3.43Å; K142-D145 PolarHBondContact O-N 2.84Å; K142-C156 WeakPolarHBondContact O-CB 3.28Å
143I97.7Very high95.9Very high72 Ų7254.7 Ų54.737%0.36930%0.3SS..THydrogen-bonded Turntrans-55.8134.6169.7-52.9-56.4000109.2D145 V163I143-D145 VanDerWaalsContact C-N 3.31Å; I143-V163 HydrophobicContact CD1-CG1 3.77Å; I143-V163 HydrophobicContact CD1-CG2 3.97Å
144A97.7Very high95.8Very high68 Ų6854.7 Ų54.756%0.56230%0.3SS*.THydrogen-bonded Turntrans76.6-9.3-170.500000116.8K142 C156K142-A144 PolarHBondContact O-N 3.07Å; A144-C156 WeakPolarHBondContact CA-O 3.14Å; A144-C156 PolarHBondContact N-O 2.96Å
145D98.1Very high95.7Very high64 Ų6457.3 Ų57.334%0.34231%0.313SS..  trans-72.9147.7176.4-68.7-14.3000111.7A141 K142 I143 M155 C156A141-D145 HydrophobicContact CB-CB 3.76Å; K142-D145 VanDerWaalsContact CB-OD2 3.26Å; K142-D145 WeakPolarHBondContact CB-OD2 3.49Å; K142-D145 PolarHBondContact N-OD2 2.86Å; K142-D145 VanDerWaalsContact O-CB 3.3Å; K142-D145 WeakPolarHBondContact O-CB 3.43Å; K142-D145 PolarHBondContact O-N 2.84Å; I143-D145 VanDerWaalsContact C-N 3.31Å; D145-M155 WeakPolarHBondContact O-CA 3.31Å; D145-C156 PolarHBondContact O-N 3.02Å
146I97Very high95.8Very high94 Ų9457 Ų5748%0.48231%0.31SS..EExtended strand (participates in β ladder)trans-93.5137169.1-60.9174.8000108.8L153 F154 M155 V168I146-L153 HydrophobicContact CG2-CB 4.39Å; I146-L153 HydrophobicContact CG2-CD2 4.43Å; I146-F154 CarbonylContact C-O 3.53Å; I146-F154 VanDerWaalsContact CA-O 3.27Å; I146-F154 WeakPolarHBondContact CA-O 3.49Å; I146-M155 HydrophobicContact CD1-CE 4.01Å; I146-M155 HydrophobicContact CG1-CB 4.36Å; I146-M155 HydrophobicContact CG1-CE 3.87Å; I146-M155 HydrophobicContact CG1-CG 4.48Å; I146-V168 HydrophobicContact CG2-CG2 4.32Å
147F96.9Very high96.1Very high8 Ų855.7 Ų55.74%0.03531%0.305CS..EExtended strand (participates in β ladder)trans-144.7159.917865.4-76000110.6C133 F139 A141 R149 F154 C156 H165C133-F147 HydrophobicContact CB-CD1 4.46Å; C133-F147 HydrophobicContact CB-CE1 3.6Å; C133-F147 HydrophobicContact CB-CE2 4.31Å; C133-F147 HydrophobicContact CB-CZ 3.5Å; F139-F147 HydrophobicContact CD1-CB 4.15Å; F139-F147 HydrophobicContact CE1-CB 4.17Å; A141-F147 HydrophobicContact CB-CB 3.82Å; A141-F147 HydrophobicContact CB-CD1 3.49Å; A141-F147 VanDerWaalsContact CB-CD1 3.49Å; A141-F147 HydrophobicContact CB-CE1 4.24Å; A141-F147 HydrophobicContact CB-CG 3.78Å; F147-R149 HydrophobicContact CD2-CG 4.15Å; F147-R149 HydrophobicContact CE2-CG 3.81Å; F147-F154 HydrophobicContact CD1-CB 4.33Å; F147-F154 VanDerWaalsContact CD1-O 3.28Å; F147-F154 WeakPolarHBondContact CD1-O 3.19Å; F147-F154 HydrophobicContact CE1-CB 3.82Å; F147-F154 HydrophobicContact CE2-CB 4.26Å; F147-F154 HydrophobicContact CZ-CB 3.79Å; F147-F154 PolarHBondContact N-O 3.1Å; F147-F154 PolarHBondContact O-N 2.83Å; F147-C156 HydrophobicContact CD1-CB 4.5Å; F147-C156 HydrophobicContact CE1-CB 4Å; F147-H165 AromaticContact CE2-CE1 3.94Å; F147-H165 AromaticContact CE2-ND1 3.99Å; F147-H165 HydrophobicContact CZ-CB 4.44Å; F147-H165 AromaticContact CZ-CE1 3.66Å; F147-H165 AromaticContact CZ-CG 3.81Å; F147-H165 AromaticContact CZ-ND1 3.6Å; F147-H165 AromaticContact CZ-NE2 3.96Å
148S95.4Very high96.3Very high56 Ų5651.7 Ų51.739%0.39229%0.288SS..EExtended strand (participates in β ladder)trans-97145.3179.159.30000112.4S135 F152S135-S148 WeakPolarHBondContact CB-O 3.45Å; S148-F152 CarbonylContact C-O 3.49Å; S148-F152 VanDerWaalsContact CA-O 3.26Å; S148-F152 WeakPolarHBondContact CA-O 3.48Å
149R93.2Very high96.3Very high12 Ų1259 Ų595%0.04530%0.304CS..EExtended strand (participates in β ladder)trans-134.3115.5165.4-70.9174.562.2-137.70.5107.6L25 D136 F147 S151 F152 F154L25-R149 PolarHBondContact O-NH1 3.16Å; L25-R149 VanDerWaalsContact O-NH1 3.1Å; D136-R149 IonicContact OD1-NE 3.61Å; D136-R149 WeakPolarHBondContact OD2-CA 3.37Å; D136-R149 WeakPolarHBondContact OD2-CB 3.38Å; F147-R149 HydrophobicContact CD2-CG 4.15Å; F147-R149 HydrophobicContact CE2-CG 3.81Å; R149-S151 PolarHBondContact O-N 2.04Å; R149-F152 PolarHBondContact N-O 2.67Å; R149-F152 WeakPolarHBondContact O-CB 3.46Å; R149-F152 PolarHBondContact O-N 2.82Å; R149-F154 HydrophobicContact CB-CD2 3.91Å; R149-F154 HydrophobicContact CB-CE2 3.88Å; R149-F154 HydrophobicContact CG-CD2 4.16Å; R149-F154 HydrophobicContact CG-CE2 4.48Å
150K91.3Very high96.2Very high151 Ų15157.3 Ų57.366%0.65732%0.319SS*.THydrogen-bonded Turntrans49-128.5-167.9-51.8-176.9178-177.70109.8D136 F152D136-K150 VanDerWaalsContact OD2-CG 3.28Å; D136-K150 WeakPolarHBondContact OD2-CG 3.33Å; D136-K150 PolarHBondContact OD2-N 2.54Å; K150-F152 VanDerWaalsContact C-N 3.27Å; K150-F152 HydrophobicContact CB-CD2 4.48Å; K150-F152 PolarHBondContact O-N 3.07Å
151S94.3Very high96.2Very high32 Ų3257.7 Ų57.722%0.22432%0.322CS..THydrogen-bonded Turntrans-87.227.1178.5-45.40000113.7E22 R149 I171E22-S151 WeakPolarHBondContact OE2-CB 3.48Å; E22-S151 PolarHBondContact OE2-OG 2.91Å; R149-S151 PolarHBondContact O-N 2.04Å; S151-I171 PolarHBondContact O-N 3.14Å
152F96.2Very high96.1Very high1 Ų161.9 Ų61.90%0.00434%0.341CS..EExtended strand (participates in β ladder)trans-134.7149-173.4-57.7-79000112.9E22 C24 S148 R149 K150 F154 C170 V200 I202E22-F152 HydrophobicContact CB-CE2 3.96Å; E22-F152 HydrophobicContact CB-CZ 3.75Å; E22-F152 VanDerWaalsContact O-CZ 3.29Å; E22-F152 WeakPolarHBondContact O-CZ 3.17Å; C24-F152 HydrophobicContact CB-CB 4.41Å; C24-F152 HydrophobicContact CB-CD2 3.4Å; C24-F152 HydrophobicContact CB-CE2 3.78Å; C24-F152 HydrophobicContact CB-CG 3.9Å; S148-F152 CarbonylContact C-O 3.49Å; S148-F152 VanDerWaalsContact CA-O 3.26Å; S148-F152 WeakPolarHBondContact CA-O 3.48Å; R149-F152 PolarHBondContact N-O 2.67Å; R149-F152 WeakPolarHBondContact O-CB 3.46Å; R149-F152 PolarHBondContact O-N 2.82Å; K150-F152 VanDerWaalsContact C-N 3.27Å; K150-F152 HydrophobicContact CB-CD2 4.48Å; K150-F152 PolarHBondContact O-N 3.07Å; F152-F154 HydrophobicContact CB-CD2 4.28Å; F152-F154 HydrophobicContact CB-CE2 3.64Å; F152-F154 HydrophobicContact CB-CZ 4.37Å; F152-C170 HydrophobicContact CD1-CB 4.38Å; F152-V200 HydrophobicContact CB-CG1 3.96Å; F152-V200 HydrophobicContact CD1-CB 4.1Å; F152-V200 HydrophobicContact CD1-CG1 3.31Å; F152-V200 HydrophobicContact CD1-CG2 3.79Å; F152-V200 HydrophobicContact CE1-CB 4.44Å; F152-V200 HydrophobicContact CE1-CG1 3.97Å; F152-V200 HydrophobicContact CE1-CG2 4.08Å; F152-V200 HydrophobicContact CG-CG1 3.75Å; F152-I202 HydrophobicContact CE1-CD1 4.12Å; F152-I202 HydrophobicContact CE1-CG1 3.83Å; F152-I202 HydrophobicContact CZ-CD1 4.19Å; F152-I202 HydrophobicContact CZ-CG1 4.18Å
153L96Very high96.2Very high13 Ų1355.1 Ų55.17%0.06831%0.312CS..EExtended strand (participates in β ladder)trans-103.8130.2177.4-60.8170.3000109.9I146 V168 G169 I171 E176I146-L153 HydrophobicContact CG2-CB 4.39Å; I146-L153 HydrophobicContact CG2-CD2 4.43Å; L153-V168 HydrophobicContact CB-CG2 3.84Å; L153-V168 WeakPolarHBondContact O-CG2 3.08Å; L153-V168 PolarHBondContact O-N 3.39Å; L153-G169 PolarHBondContact N-O 2.77Å; L153-G169 PolarHBondContact O-N 2.95Å; L153-I171 HydrophobicContact CD1-CG1 4.5Å; L153-I171 HydrophobicContact CD2-CD1 3.82Å; L153-I171 HydrophobicContact CD2-CG1 3.87Å; L153-I171 HydrophobicContact CG-CD1 4.37Å; L153-I171 HydrophobicContact CG-CG1 3.92Å; L153-E176 HydrophobicContact CD1-CB 3.84Å; L153-E176 HydrophobicContact CD1-CG 3.79Å
154F96.1Very high96.1Very high0 Ų053.6 Ų53.60%030%0.304CS..EExtended strand (participates in β ladder)trans-125.2144.7177.3-70.8-89.8000110.1C24 I146 F147 R149 F152 H165 K166 A167 V200C24-F154 HydrophobicContact CB-CE2 4.22Å; C24-F154 HydrophobicContact CB-CZ 3.93Å; C24-F154 VanDerWaalsContact SG-CZ 3.58Å; I146-F154 CarbonylContact C-O 3.53Å; I146-F154 VanDerWaalsContact CA-O 3.27Å; I146-F154 WeakPolarHBondContact CA-O 3.49Å; F147-F154 HydrophobicContact CD1-CB 4.33Å; F147-F154 VanDerWaalsContact CD1-O 3.28Å; F147-F154 WeakPolarHBondContact CD1-O 3.19Å; F147-F154 HydrophobicContact CE1-CB 3.82Å; F147-F154 HydrophobicContact CE2-CB 4.26Å; F147-F154 HydrophobicContact CZ-CB 3.79Å; F147-F154 PolarHBondContact N-O 3.1Å; F147-F154 PolarHBondContact O-N 2.83Å; R149-F154 HydrophobicContact CB-CD2 3.91Å; R149-F154 HydrophobicContact CB-CE2 3.88Å; R149-F154 HydrophobicContact CG-CD2 4.16Å; R149-F154 HydrophobicContact CG-CE2 4.48Å; F152-F154 HydrophobicContact CB-CD2 4.28Å; F152-F154 HydrophobicContact CB-CE2 3.64Å; F152-F154 HydrophobicContact CB-CZ 4.37Å; F154-H165 HydrophobicContact CB-CB 4.45Å; F154-H165 HydrophobicContact CD1-CB 3.75Å; F154-H165 WeakPolarHBondContact CD1-O 3.46Å; F154-H165 HydrophobicContact CE1-CB 4.36Å; F154-H165 HydrophobicContact CG-CB 4.3Å; F154-K166 CarbonylContact C-O 3.56Å; F154-K166 WeakPolarHBondContact CA-O 3.47Å; F154-A167 HydrophobicContact CD1-CB 4.12Å; F154-A167 HydrophobicContact CE1-CB 3.79Å; F154-A167 HydrophobicContact CZ-CB 4.44Å; F154-V200 HydrophobicContact CZ-CG1 4.12Å
155M96.8Very high96Very high57 Ų5750.4 Ų50.428%0.28128%0.278SS..EExtended strand (participates in β ladder)trans-102.9134.2167.2-176179.5-76.300109D145 I146 V157 K166 V168D145-M155 WeakPolarHBondContact O-CA 3.31Å; I146-M155 HydrophobicContact CD1-CE 4.01Å; I146-M155 HydrophobicContact CG1-CB 4.36Å; I146-M155 HydrophobicContact CG1-CE 3.87Å; I146-M155 HydrophobicContact CG1-CG 4.48Å; M155-V157 HydrophobicContact CB-CG2 4.11Å; M155-V157 HydrophobicContact CG-CG2 3.79Å; M155-V157 PolarHBondContact O-N 2.8Å; M155-V157 HydrophobicContact SD-CG2 4.01Å; M155-K166 PolarHBondContact N-O 2.67Å; M155-K166 PolarHBondContact O-N 2.83Å; M155-V168 HydrophobicContact CB-CG1 3.77Å
156C97.9Very high95.8Very high0 Ų052.7 Ų52.70%029%0.285CS..EExtended strand (participates in β ladder)trans-79.599.2175.2-168.30000109.9C133 A141 K142 A144 D145 F147C133-C156 HydrophobicContact CB-CB 3.61Å; C133-C156 WeakPolarHBondContact CB-SG 3.1Å; C133-C156 PolarHBondContact N-SG 2.98Å; C133-C156 WeakPolarHBondContact SG-CA 3.16Å; C133-C156 WeakPolarHBondContact SG-CB 3.24Å; C133-C156 CovalentContact SG-SG 2.03Å; C133-C156 PolarHBondContact SG-SG 3.1Å; A141-C156 HydrophobicContact CB-CB 4.46Å; K142-C156 WeakPolarHBondContact O-CB 3.28Å; A144-C156 WeakPolarHBondContact CA-O 3.14Å; A144-C156 PolarHBondContact N-O 2.96Å; D145-C156 PolarHBondContact O-N 3.02Å; F147-C156 HydrophobicContact CD1-CB 4.5Å; F147-C156 HydrophobicContact CE1-CB 4Å
157V97.5Very high95.7Very high40 Ų4048.7 Ų48.724%0.24227%0.266CS..EExtended strand (participates in β ladder)trans-106.5121.9-171.81800000110.7M155 V163 I164 K166M155-V157 HydrophobicContact CB-CG2 4.11Å; M155-V157 HydrophobicContact CG-CG2 3.79Å; M155-V157 PolarHBondContact O-N 2.8Å; M155-V157 HydrophobicContact SD-CG2 4.01Å; V157-V163 CarbonylContact O-C 3.57Å; V157-V163 WeakPolarHBondContact O-CA 3.37Å; V157-I164 PolarHBondContact N-O 2.61Å; V157-I164 PolarHBondContact O-N 2.94Å; V157-K166 HydrophobicContact CB-CB 4.42Å; V157-K166 HydrophobicContact CG2-CB 3.73Å; V157-K166 HydrophobicContact CG2-CD 3.99Å
158G97.1Very high95.6Very high40 Ų4050.2 Ų50.241%0.41228%0.275SS..EExtended strand (participates in β ladder)trans-85.3134.3166.500000111.6Q162G158-Q162 CarbonylContact C-O 3.46Å; G158-Q162 WeakPolarHBondContact CA-O 3.29Å
159R94.5Very high95.7Very high192 Ų19247.6 Ų47.673%0.72526%0.257SS*.EExtended strand (participates in β ladder)trans-139.698.1173.5-175.1-177.5-178.7179.10.5109.4D161 Q162R159-D161 PolarHBondContact O-N 3.02Å; R159-Q162 PolarHBondContact N-O 3.29Å; R159-Q162 PolarHBondContact O-N 3.04Å
160G94.2Very high95.9Very high79 Ų7947 Ų4781%0.81426%0.255SS*.THydrogen-bonded Turntrans58.8-130.4-170.500000109.7Q162G160-Q162 PolarHBondContact O-N 3.37Å
161D95.8Very high96.1Very high84 Ų8441.9 Ų41.945%0.44923%0.234SC..THydrogen-bonded Turntrans-78.3-6.4177.3-62.1-25.9000113.5T30 S31 H33 R159T30-D161 CarbonylContact C-O 3.5Å; T30-D161 VanDerWaalsContact CA-O 3.31Å; T30-D161 WeakPolarHBondContact CA-O 3.45Å; T30-D161 HydrophobicContact CG2-CB 3.91Å; S31-D161 PolarHBondContact N-O 2.82Å; H33-D161 IonicContact CE1-OD1 3.33Å; H33-D161 PolarHBondContact CE1-OD1 3.26Å; H33-D161 IonicContact ND1-OD1 2.99Å; H33-D161 PolarHBondContact ND1-OD1 3.42Å; H33-D161 IonicContact ND1-OD2 3.62Å; R159-D161 PolarHBondContact O-N 3.02Å
162Q97.7Very high96.2Very high87 Ų8740.9 Ų40.941%0.40723%0.226SC..EExtended strand (participates in β ladder)trans-94.9142.1-178.3-66.6-176.1-28.400112S29 T30 G158 R159 G160S29-Q162 CarbonylContact O-C 3.58Å; S29-Q162 WeakPolarHBondContact O-CA 3.39Å; T30-Q162 HydrophobicContact CG2-CG 4.34Å; G158-Q162 CarbonylContact C-O 3.46Å; G158-Q162 WeakPolarHBondContact CA-O 3.29Å; R159-Q162 PolarHBondContact N-O 3.29Å; R159-Q162 PolarHBondContact O-N 3.04Å; G160-Q162 PolarHBondContact O-N 3.37Å
163V98.2Very high96.1Very high7 Ų746.4 Ų46.44%0.04226%0.256CS..EExtended strand (participates in β ladder)trans-120.6133.4168.2-176.80000109.4T28 S29 F115 I130 I143 V157T28-V163 WeakPolarHBondContact CA-O 3.24Å; S29-V163 PolarHBondContact N-O 3.29Å; S29-V163 PolarHBondContact O-N 3.13Å; F115-V163 HydrophobicContact CD1-CB 4.25Å; F115-V163 HydrophobicContact CD1-CG1 4.1Å; F115-V163 HydrophobicContact CE1-CB 4.06Å; F115-V163 HydrophobicContact CE1-CG1 3.89Å; F115-V163 WeakPolarHBondContact CE1-O 3.04Å; I130-V163 HydrophobicContact CB-CB 4.19Å; I130-V163 HydrophobicContact CB-CG2 3.62Å; I130-V163 HydrophobicContact CD1-CB 3.97Å; I130-V163 HydrophobicContact CD1-CG2 4.05Å; I130-V163 HydrophobicContact CG1-CG2 4.44Å; I130-V163 HydrophobicContact CG2-CB 3.76Å; I130-V163 HydrophobicContact CG2-CG1 3.98Å; I130-V163 HydrophobicContact CG2-CG2 3.6Å; I143-V163 HydrophobicContact CD1-CG1 3.77Å; I143-V163 HydrophobicContact CD1-CG2 3.97Å; V157-V163 CarbonylContact O-C 3.57Å; V157-V163 WeakPolarHBondContact O-CA 3.37Å
164I96Very high95.9Very high41 Ų4155.3 Ų55.321%0.2129%0.294CS..EExtended strand (participates in β ladder)trans-128.1134.1-170.8-51.4174.9000109.4K27 T28 V157 K166K27-I164 CarbonylContact O-C 3.39Å; K27-I164 WeakPolarHBondContact O-CA 3.43Å; T28-I164 HydrophobicContact CG2-CG1 3.97Å; V157-I164 PolarHBondContact N-O 2.61Å; V157-I164 PolarHBondContact O-N 2.94Å; I164-K166 PolarHBondContact O-N 2.93Å; I164-K166 VanDerWaalsContact O-N 3.12Å
165H95.4Very high95.9Very high0 Ų060.2 Ų60.20%032%0.317CS..EExtended strand (participates in β ladder)trans-77.290.6163.2-65.8-157.5000107.5T26 K27 W114 F115 C133 F147 F154 A167T26-H165 WeakPolarHBondContact CB-O 3.38Å; T26-H165 VanDerWaalsContact CG2-O 3.24Å; T26-H165 WeakPolarHBondContact CG2-O 3.42Å; K27-H165 HydrophobicContact CB-CB 4.3Å; K27-H165 PolarHBondContact O-N 2.91Å; W114-H165 PolarHBondContact O-NE2 2.95Å; W114-H165 VanDerWaalsContact O-NE2 3.14Å; F115-H165 AromaticContact CE1-CD2 3.56Å; F115-H165 AromaticContact CE1-NE2 3.6Å; F115-H165 AromaticContact CZ-CD2 3.72Å; F115-H165 AromaticContact CZ-NE2 3.82Å; C133-H165 WeakPolarHBondContact CB-NE2 3.29Å; C133-H165 PolarHBondContact SG-CD2 2.94Å; F147-H165 AromaticContact CE2-CE1 3.94Å; F147-H165 AromaticContact CE2-ND1 3.99Å; F147-H165 HydrophobicContact CZ-CB 4.44Å; F147-H165 AromaticContact CZ-CE1 3.66Å; F147-H165 AromaticContact CZ-CG 3.81Å; F147-H165 AromaticContact CZ-ND1 3.6Å; F147-H165 AromaticContact CZ-NE2 3.96Å; F154-H165 HydrophobicContact CB-CB 4.45Å; F154-H165 HydrophobicContact CD1-CB 3.75Å; F154-H165 WeakPolarHBondContact CD1-O 3.46Å; F154-H165 HydrophobicContact CE1-CB 4.36Å; F154-H165 HydrophobicContact CG-CB 4.3Å; H165-A167 PolarHBondContact O-N 3.32Å
166K94.6Very high95.9Very high112 Ų11264 Ų6449%0.48733%0.334SS..EExtended strand (participates in β ladder)trans-82.1117.1179.4-176.2-178.5178.4-174.70108.9F154 M155 V157 I164 V168F154-K166 CarbonylContact C-O 3.56Å; F154-K166 WeakPolarHBondContact CA-O 3.47Å; M155-K166 PolarHBondContact N-O 2.67Å; M155-K166 PolarHBondContact O-N 2.83Å; V157-K166 HydrophobicContact CB-CB 4.42Å; V157-K166 HydrophobicContact CG2-CB 3.73Å; V157-K166 HydrophobicContact CG2-CD 3.99Å; I164-K166 PolarHBondContact O-N 2.93Å; I164-K166 VanDerWaalsContact O-N 3.12Å; K166-V168 PolarHBondContact O-N 3.03Å
167A94.9Very high95.9Very high10 Ų1064.4 Ų64.48%0.08334%0.337CS..EExtended strand (participates in β ladder)trans-61.9133.3174.200000110.2F154 H165 I179 V200F154-A167 HydrophobicContact CD1-CB 4.12Å; F154-A167 HydrophobicContact CE1-CB 3.79Å; F154-A167 HydrophobicContact CZ-CB 4.44Å; H165-A167 PolarHBondContact O-N 3.32Å; A167-I179 HydrophobicContact CB-CD1 4.2Å; A167-I179 VanDerWaalsContact O-CD1 3.29Å; A167-I179 WeakPolarHBondContact O-CD1 3.48Å; A167-V200 HydrophobicContact CB-CB 3.78Å; A167-V200 HydrophobicContact CB-CG1 3.65Å
168V95.4Very high95.9Very high40 Ų4067.5 Ų67.524%0.24235%0.352CS..EExtended strand (participates in β ladder)trans-125.4-18.5179.4-65.20000113.3I146 L153 M155 K166 I179I146-V168 HydrophobicContact CG2-CG2 4.32Å; L153-V168 HydrophobicContact CB-CG2 3.84Å; L153-V168 WeakPolarHBondContact O-CG2 3.08Å; L153-V168 PolarHBondContact O-N 3.39Å; M155-V168 HydrophobicContact CB-CG1 3.77Å; K166-V168 PolarHBondContact O-N 3.03Å; V168-I179 WeakPolarHBondContact O-CG1 3.01Å
169G96.6Very high95.8Very high1 Ų166.9 Ų66.91%0.0134%0.339CS..EExtended strand (participates in β ladder)trans-175.5-174.1177.800000114L153 V177 C192L153-G169 PolarHBondContact N-O 2.77Å; L153-G169 PolarHBondContact O-N 2.95Å; G169-V177 CarbonylContact C-O 3.48Å; G169-V177 VanDerWaalsContact CA-O 3.28Å; G169-V177 WeakPolarHBondContact CA-O 3.21Å; G169-C192 VanDerWaalsContact C-SG 3.56Å
170C97.3Very high95.8Very high0 Ų062.4 Ų62.40%033%0.326CS..EExtended strand (participates in β ladder)trans-122.1157.3177-59.20000110.1F152 I172 E176 V177 C192 V200 I202F152-C170 HydrophobicContact CD1-CB 4.38Å; C170-I172 HydrophobicContact CB-CD1 4.21Å; C170-I172 HydrophobicContact CB-CG1 4.06Å; C170-E176 CarbonylContact O-C 3.51Å; C170-E176 WeakPolarHBondContact O-CA 3.06Å; C170-V177 PolarHBondContact N-O 3.29Å; C170-V177 PolarHBondContact O-N 2.83Å; C170-C192 HydrophobicContact CB-CB 3.65Å; C170-C192 WeakPolarHBondContact CB-SG 3.28Å; C170-C192 PolarHBondContact N-SG 2.04Å; C170-C192 WeakPolarHBondContact SG-CA 3.26Å; C170-C192 WeakPolarHBondContact SG-CB 3.46Å; C170-C192 CovalentContact SG-SG 2.04Å; C170-C192 PolarHBondContact SG-SG 3.24Å; C170-V200 WeakPolarHBondContact SG-CG2 3.48Å; C170-I202 HydrophobicContact CB-CD1 4.13Å; C170-I202 HydrophobicContact CB-CG1 3.75Å
171I96.2Very high96Very high43 Ų4364.8 Ų64.822%0.22131%0.314CS..EExtended strand (participates in β ladder)trans-111.3105169.6-55.4170.2000106.6S151 L153 Q175S151-I171 PolarHBondContact O-N 3.14Å; L153-I171 HydrophobicContact CD1-CG1 4.5Å; L153-I171 HydrophobicContact CD2-CD1 3.82Å; L153-I171 HydrophobicContact CD2-CG1 3.87Å; L153-I171 HydrophobicContact CG-CD1 4.37Å; L153-I171 HydrophobicContact CG-CG1 3.92Å; I171-Q175 CarbonylContact C-O 3.53Å; I171-Q175 WeakPolarHBondContact CA-O 3.38Å
172I95.1Very high96.1Very high11 Ų1162.2 Ų62.26%0.05630%0.303CS..EExtended strand (participates in β ladder)trans-115.1116.4-177.8-57.9169.8000107.6C170 K174 Q175 V177 V183 I185 Y190 I202C170-I172 HydrophobicContact CB-CD1 4.21Å; C170-I172 HydrophobicContact CB-CG1 4.06Å; I172-K174 VanDerWaalsContact C-N 3.3Å; I172-K174 PolarHBondContact O-N 2.93Å; I172-Q175 PolarHBondContact N-O 3.25Å; I172-Q175 WeakPolarHBondContact O-CB 3.46Å; I172-Q175 PolarHBondContact O-N 2.83Å; I172-V177 HydrophobicContact CB-CG2 4.34Å; I172-V177 HydrophobicContact CD1-CB 4.23Å; I172-V177 HydrophobicContact CD1-CG1 4.45Å; I172-V177 HydrophobicContact CD1-CG2 4.09Å; I172-V177 HydrophobicContact CG1-CG2 4.42Å; I172-V183 HydrophobicContact CB-CG1 4.09Å; I172-V183 HydrophobicContact CD1-CG1 3.99Å; I172-V183 HydrophobicContact CG2-CG1 3.9Å; I172-I185 HydrophobicContact CG2-CG1 3.95Å; I172-Y190 HydrophobicContact CG2-CD2 4.36Å; I172-Y190 HydrophobicContact CG2-CG 4.16Å; I172-I202 HydrophobicContact CD1-CG1 4.2Å; I172-I202 HydrophobicContact CD1-CG2 3.95Å; I172-I202 HydrophobicContact CG1-CD1 3.84Å; I172-I202 HydrophobicContact CG1-CG1 3.91Å; I172-I202 HydrophobicContact CG1-CG2 4Å
173N93.8Very high96Very high117 Ų11758.7 Ų58.763%0.62629%0.287SS*.THydrogen-bonded Turntrans50.247.2-175.4-168.342.7000113.2Q175 I185N173-Q175 PolarHBondContact O-N 2.87Å; N173-Q175 VanDerWaalsContact O-N 3.14Å; N173-I185 HydrophobicContact CB-CD1 3.69Å; N173-I185 HydrophobicContact CB-CG1 4.12Å; N173-I185 HydrophobicContact CB-CG2 3.95Å
174K93.6Very high96Very high201 Ų20161.2 Ų61.287%0.87430%0.3SS*.THydrogen-bonded Turntrans64.56.6-176.5-50.4176.7179.51780115.4I172I172-K174 VanDerWaalsContact C-N 3.3Å; I172-K174 PolarHBondContact O-N 2.93Å
175Q95.4Very high95.9Very high102 Ų10261 Ų6148%0.47730%0.299SS..EExtended strand (participates in β ladder)trans-99.6134.1173.6-176.8174.4-0.700110.6I171 I172 N173 V177 V183I171-Q175 CarbonylContact C-O 3.53Å; I171-Q175 WeakPolarHBondContact CA-O 3.38Å; I172-Q175 PolarHBondContact N-O 3.25Å; I172-Q175 WeakPolarHBondContact O-CB 3.46Å; I172-Q175 PolarHBondContact O-N 2.83Å; N173-Q175 PolarHBondContact O-N 2.87Å; N173-Q175 VanDerWaalsContact O-N 3.14Å; Q175-V177 HydrophobicContact CG-CG2 4.41Å; Q175-V183 VanDerWaalsContact OE1-CG2 3.28Å
176E96.9Very high95.9Very high136 Ų13664.2 Ų64.264%0.63633%0.333SS*.EExtended strand (participates in β ladder)trans-75.4130.5171.2-58.3-168.617300110.4L153 C170L153-E176 HydrophobicContact CD1-CB 3.84Å; L153-E176 HydrophobicContact CD1-CG 3.79Å; C170-E176 CarbonylContact O-C 3.51Å; C170-E176 WeakPolarHBondContact O-CA 3.06Å
177V97.6Very high96Very high9 Ų965.4 Ų65.46%0.05534%0.338CS..EExtended strand (participates in β ladder)trans-131.9117.1-177.1-177.40000108.8G169 C170 I172 Q175 K181 V183 C192G169-V177 CarbonylContact C-O 3.48Å; G169-V177 VanDerWaalsContact CA-O 3.28Å; G169-V177 WeakPolarHBondContact CA-O 3.21Å; C170-V177 PolarHBondContact N-O 3.29Å; C170-V177 PolarHBondContact O-N 2.83Å; I172-V177 HydrophobicContact CB-CG2 4.34Å; I172-V177 HydrophobicContact CD1-CB 4.23Å; I172-V177 HydrophobicContact CD1-CG1 4.45Å; I172-V177 HydrophobicContact CD1-CG2 4.09Å; I172-V177 HydrophobicContact CG1-CG2 4.42Å; Q175-V177 HydrophobicContact CG-CG2 4.41Å; V177-K181 HydrophobicContact CG1-CB 3.89Å; V177-V183 HydrophobicContact CG2-CB 4.1Å; V177-V183 HydrophobicContact CG2-CG1 3.86Å; V177-C192 HydrophobicContact CB-CB 4.45Å; V177-C192 HydrophobicContact CG1-CB 4.03Å
178D97.5Very high96.1Very high106 Ų10667 Ų6757%0.56734%0.343SS*.EExtended strand (participates in β ladder)trans-60.3153.1177.1-62.6-28.6000111.8H180 K181D178-H180 PolarHBondContact O-N 3.12Å; D178-K181 HydrophobicContact CB-CB 4.43Å; D178-K181 HydrophobicContact CB-CG 3.74Å; D178-K181 VanDerWaalsContact O-CB 3.29Å; D178-K181 WeakPolarHBondContact O-CB 3.15Å; D178-K181 PolarHBondContact O-N 2.7Å
179I95.3Very high96.2Very high27 Ų2765.9 Ų65.914%0.13833%0.334CS..THydrogen-bonded Turntrans-56.3138.5174-60.2174.4000110.2A167 V168 K181 R194 V200A167-I179 HydrophobicContact CB-CD1 4.2Å; A167-I179 VanDerWaalsContact O-CD1 3.29Å; A167-I179 WeakPolarHBondContact O-CD1 3.48Å; V168-I179 WeakPolarHBondContact O-CG1 3.01Å; I179-K181 PolarHBondContact O-N 3.32Å; I179-R194 HydrophobicContact CG2-CG 3.64Å; I179-V200 HydrophobicContact CG1-CG2 4.44Å
180H95.2Very high96.1Very high98 Ų9867.1 Ų67.145%0.45434%0.339SS..THydrogen-bonded Turntrans69.8-2.4-173.6-53.2-61.4000115.9D178 R191 C192D178-H180 PolarHBondContact O-N 3.12Å; H180-R191 PolarHBondContact O-NE 3.01Å; H180-C192 VanDerWaalsContact CA-O 3.24Å; H180-C192 WeakPolarHBondContact CA-O 3.35Å; H180-C192 PolarHBondContact N-O 2.82Å
181K97.8Very high96.1Very high128 Ų12871.4 Ų71.456%0.55736%0.355SS*.  trans-87.6162.3173.9-57.8-61.1-175175.30111.8V177 D178 I179 R191 C192V177-K181 HydrophobicContact CG1-CB 3.89Å; D178-K181 HydrophobicContact CB-CB 4.43Å; D178-K181 HydrophobicContact CB-CG 3.74Å; D178-K181 VanDerWaalsContact O-CB 3.29Å; D178-K181 WeakPolarHBondContact O-CB 3.15Å; D178-K181 PolarHBondContact O-N 2.7Å; I179-K181 PolarHBondContact O-N 3.32Å; K181-R191 WeakPolarHBondContact O-CA 3.5Å; K181-R191 WeakPolarHBondContact O-CG 3.41Å; K181-C192 PolarHBondContact O-N 3Å
182S96.6Very high96.1Very high31 Ų3169.3 Ų69.322%0.21735%0.345CS..EExtended strand (participates in β ladder)trans-133.5145.1-175.4-67.40000112W189 Y190 R191 R214S182-W189 WeakPolarHBondContact OG-CZ3 3.45Å; S182-Y190 CarbonylContact C-O 3.52Å; S182-Y190 WeakPolarHBondContact CA-O 2.96Å; S182-Y190 WeakPolarHBondContact CB-O 3.24Å; S182-Y190 PolarHBondContact OG-O 3.41Å; S182-R191 WeakPolarHBondContact OG-CB 3.38Å; S182-R191 WeakPolarHBondContact OG-CG 3.43Å; S182-R214 PolarHBondContact O-NH2 3.43Å
183V97.2Very high96.1Very high13 Ų1369.3 Ų69.38%0.07935%0.345CS..EExtended strand (participates in β ladder)trans-131.6146.7-177.763.90000110.4I172 Q175 V177 I185 W189 Y190I172-V183 HydrophobicContact CB-CG1 4.09Å; I172-V183 HydrophobicContact CD1-CG1 3.99Å; I172-V183 HydrophobicContact CG2-CG1 3.9Å; Q175-V183 VanDerWaalsContact OE1-CG2 3.28Å; V177-V183 HydrophobicContact CG2-CB 4.1Å; V177-V183 HydrophobicContact CG2-CG1 3.86Å; V183-I185 HydrophobicContact CG1-CD1 4.34Å; V183-I185 HydrophobicContact CG1-CG1 4.13Å; V183-I185 HydrophobicContact CG2-CD1 3.88Å; V183-I185 HydrophobicContact CG2-CG1 4.4Å; V183-W189 CarbonylContact O-C 3.56Å; V183-W189 VanDerWaalsContact O-CA 3.24Å; V183-W189 WeakPolarHBondContact O-CA 3.29Å; V183-W189 WeakPolarHBondContact O-CB 3.28Å; V183-Y190 PolarHBondContact N-O 3.01Å; V183-Y190 PolarHBondContact O-N 2.82Å
184N97Very high96.1Very high59 Ų5971.1 Ų71.132%0.31634%0.343SS..EExtended strand (participates in β ladder)trans-94.7122.9174.5-63.56.8000108.6V208 G212 R214N184-V208 HydrophobicContact CB-CG2 4.16Å; N184-G212 PolarHBondContact ND2-O 2.94Å; N184-R214 PolarHBondContact OD1-NE 2.81Å; N184-R214 PolarHBondContact OD1-NH2 2.83Å
185I95.2Very high95.9Very high36 Ų3665.9 Ų65.919%0.18532%0.319CS..EExtended strand (participates in β ladder)trans-126.6107.9175.8-54.4-63.2000108.3I172 N173 V183 K187 F188 Y190I172-I185 HydrophobicContact CG2-CG1 3.95Å; N173-I185 HydrophobicContact CB-CD1 3.69Å; N173-I185 HydrophobicContact CB-CG1 4.12Å; N173-I185 HydrophobicContact CB-CG2 3.95Å; V183-I185 HydrophobicContact CG1-CD1 4.34Å; V183-I185 HydrophobicContact CG1-CG1 4.13Å; V183-I185 HydrophobicContact CG2-CD1 3.88Å; V183-I185 HydrophobicContact CG2-CG1 4.4Å; I185-K187 PolarHBondContact O-N 2.99Å; I185-F188 CarbonylContact C-O 3.52Å; I185-F188 PolarHBondContact N-O 2.88Å; I185-F188 PolarHBondContact O-N 2.82Å; I185-F188 VanDerWaalsContact O-O 3.05Å; I185-Y190 HydrophobicContact CB-CD2 4.01Å; I185-Y190 HydrophobicContact CB-CE2 3.79Å; I185-Y190 HydrophobicContact CG1-CD2 4.01Å; I185-Y190 HydrophobicContact CG1-CE2 4.27Å
186G94.8Very high95.5Very high69 Ų6963.9 Ų63.971%0.71133%0.325SS*.THydrogen-bonded Turntrans59.6-128.5-174.400000111.4F188G186-F188 VanDerWaalsContact C-N 3.27Å; G186-F188 PolarHBondContact O-N 3Å
187K96.2Very high94.7Very high136 Ų13665.2 Ų65.259%0.59134%0.337SS*.THydrogen-bonded Turntrans-86.18.8-177.9-60.5-173.3178.2-176.70114.2I185 C207 V208 I239I185-K187 PolarHBondContact O-N 2.99Å; K187-C207 CarbonylContact O-C 3.5Å; K187-C207 WeakPolarHBondContact O-CA 3.36Å; K187-V208 PolarHBondContact O-N 3.04Å; K187-I239 HydrophobicContact CB-CD1 3.78Å; K187-I239 HydrophobicContact CD-CD1 4.19Å
188F96.9Very high93.9Very high45 Ų4566.3 Ų66.320%0.19735%0.35CS..EExtended strand (participates in β ladder)trans-134.2157.9-175.4-55.7-74.8000110.6I185 G186 Y190 V204 G206 V208 L237 I239I185-F188 CarbonylContact C-O 3.52Å; I185-F188 PolarHBondContact N-O 2.88Å; I185-F188 PolarHBondContact O-N 2.82Å; I185-F188 VanDerWaalsContact O-O 3.05Å; G186-F188 VanDerWaalsContact C-N 3.27Å; G186-F188 PolarHBondContact O-N 3Å; F188-Y190 HydrophobicContact CB-CE2 3.83Å; F188-V204 HydrophobicContact CB-CG2 4.16Å; F188-G206 WeakPolarHBondContact CA-O 3.35Å; F188-V208 VanDerWaalsContact C-CG2 3.49Å; F188-L237 HydrophobicContact CD1-CB 4.01Å; F188-L237 HydrophobicContact CD1-CD1 4.45Å; F188-L237 HydrophobicContact CE1-CB 3.72Å; F188-I239 HydrophobicContact CE1-CG1 4.39Å
189W96.9Very high93.5Very high15 Ų1561.3 Ų61.36%0.05732%0.324CS..EExtended strand (participates in β ladder)trans-124.7144.8171.967.5-80.4000110.5S182 V183 M205 G206 V208 R214 V215 H216S182-W189 WeakPolarHBondContact OG-CZ3 3.45Å; V183-W189 CarbonylContact O-C 3.56Å; V183-W189 VanDerWaalsContact O-CA 3.24Å; V183-W189 WeakPolarHBondContact O-CA 3.29Å; V183-W189 WeakPolarHBondContact O-CB 3.28Å; W189-M205 HydrophobicContact CD2-CB 3.69Å; W189-M205 HydrophobicContact CE3-CB 3.52Å; W189-M205 HydrophobicContact CE3-CG 3.87Å; W189-M205 HydrophobicContact CH2-CB 3.15Å; W189-M205 HydrophobicContact CH2-CE 4.35Å; W189-M205 HydrophobicContact CH2-CG 3.7Å; W189-M205 HydrophobicContact CZ2-CB 3.29Å; W189-M205 HydrophobicContact CZ2-CG 4.32Å; W189-M205 HydrophobicContact CZ3-CB 3.27Å; W189-M205 HydrophobicContact CZ3-CG 3.43Å; W189-M205 VanDerWaalsContact CZ3-CG 3.43Å; W189-M205 PolarHBondContact O-N 2.88Å; W189-G206 PolarHBondContact N-O 3.31Å; W189-G206 VanDerWaalsContact NE1-CA 3.34Å; W189-V208 HydrophobicContact CB-CG2 3.76Å; W189-V208 HydrophobicContact CG-CG2 4.26Å; W189-R214 HydrophobicContact CB-CG 4.17Å; W189-R214 HydrophobicContact CD2-CB 4.22Å; W189-R214 HydrophobicContact CD2-CG 4Å; W189-R214 HydrophobicContact CG-CB 4.18Å; W189-R214 HydrophobicContact CG-CG 3.75Å; W189-R214 HydrophobicContact CZ2-CB 4.47Å; W189-V215 PolarHBondContact NE1-O 3.14Å; W189-H216 AromaticContact CH2-CE1 3.77Å; W189-H216 AromaticContact CZ2-CE1 3.67Å; W189-H216 AromaticContact CZ2-ND1 3.64Å
190Y96.2Very high93.4Very high28 Ų2860 Ų6011%0.1132%0.317CS..EExtended strand (participates in β ladder)trans-120.6155.2-171.1-61.4-97.6000109.4I172 S182 V183 I185 F188 I202 E203 V204I172-Y190 HydrophobicContact CG2-CD2 4.36Å; I172-Y190 HydrophobicContact CG2-CG 4.16Å; S182-Y190 CarbonylContact C-O 3.52Å; S182-Y190 WeakPolarHBondContact CA-O 2.96Å; S182-Y190 WeakPolarHBondContact CB-O 3.24Å; S182-Y190 PolarHBondContact OG-O 3.41Å; V183-Y190 PolarHBondContact N-O 3.01Å; V183-Y190 PolarHBondContact O-N 2.82Å; I185-Y190 HydrophobicContact CB-CD2 4.01Å; I185-Y190 HydrophobicContact CB-CE2 3.79Å; I185-Y190 HydrophobicContact CG1-CD2 4.01Å; I185-Y190 HydrophobicContact CG1-CE2 4.27Å; F188-Y190 HydrophobicContact CB-CE2 3.83Å; Y190-I202 HydrophobicContact CD1-CG2 4.08Å; Y190-E203 CarbonylContact C-O 3.59Å; Y190-E203 WeakPolarHBondContact CA-O 3.28Å; Y190-V204 HydrophobicContact CD1-CB 3.96Å; Y190-V204 HydrophobicContact CD1-CG2 4.31Å; Y190-V204 HydrophobicContact CE1-CB 3.77Å; Y190-V204 HydrophobicContact CE1-CG2 3.93Å
191R95.8Very high93.4Very high89 Ų8956.2 Ų56.234%0.33630%0.3SS..EExtended strand (participates in β ladder)trans-127.3136.1173.2-170.5176.4-164.4-174.91.3110H180 K181 S182 E203 M205H180-R191 PolarHBondContact O-NE 3.01Å; K181-R191 WeakPolarHBondContact O-CA 3.5Å; K181-R191 WeakPolarHBondContact O-CG 3.41Å; S182-R191 WeakPolarHBondContact OG-CB 3.38Å; S182-R191 WeakPolarHBondContact OG-CG 3.43Å; R191-E203 PolarHBondContact N-O 2.82Å; R191-E203 PolarHBondContact O-N 3.35Å; R191-M205 HydrophobicContact CB-CG 3.48Å; R191-M205 VanDerWaalsContact CB-CG 3.48Å; R191-M205 HydrophobicContact CB-SD 3.89Å
192C96.9Very high93.3Very high0 Ų051.1 Ų51.10%028%0.278CS..EExtended strand (participates in β ladder)trans-83.8113.6165-171.50000108G169 C170 V177 H180 K181 V200G169-C192 VanDerWaalsContact C-SG 3.56Å; C170-C192 HydrophobicContact CB-CB 3.65Å; C170-C192 WeakPolarHBondContact CB-SG 3.28Å; C170-C192 PolarHBondContact N-SG 2.04Å; C170-C192 WeakPolarHBondContact SG-CA 3.26Å; C170-C192 WeakPolarHBondContact SG-CB 3.46Å; C170-C192 CovalentContact SG-SG 2.04Å; C170-C192 PolarHBondContact SG-SG 3.24Å; V177-C192 HydrophobicContact CB-CB 4.45Å; V177-C192 HydrophobicContact CG1-CB 4.03Å; H180-C192 VanDerWaalsContact CA-O 3.24Å; H180-C192 WeakPolarHBondContact CA-O 3.35Å; H180-C192 PolarHBondContact N-O 2.82Å; K181-C192 PolarHBondContact O-N 3Å; C192-V200 VanDerWaalsContact SG-CG2 3.57Å
193S95.2Very high93.1Very high10 Ų1052.1 Ų52.17%0.0728%0.279CS..EExtended strand (participates in β ladder)trans-120.2153.3-172.6-70.20000111V200 Q201 E203S193-V200 CarbonylContact O-C 3.52Å; S193-V200 WeakPolarHBondContact O-CA 3.32Å; S193-Q201 PolarHBondContact N-O 3.48Å; S193-Q201 PolarHBondContact O-N 2.9Å; S193-E203 VanDerWaalsContact CB-OE2 3.31Å; S193-E203 WeakPolarHBondContact CB-OE2 3.27Å; S193-E203 PolarHBondContact OG-OE2 2.9Å
194R93.7Very high93Very high156 Ų15652 Ų5259%0.58928%0.279SS*.EExtended strand (participates in β ladder)trans-73.8144.6168.8-71.1-167.9176.4-1701.2110I179 G199I179-R194 HydrophobicContact CG2-CG 3.64Å; R194-G199 WeakPolarHBondContact CA-O 3.01Å
195Y89.3Confident92.9Very high90 Ų9051.4 Ų51.435%0.35327%0.274SS..EExtended strand (participates in β ladder)trans-130114.3175.9179.2-106.9000110.8K23 L25 G199K23-Y195 HydrophobicContact CB-CD1 4.33Å; K23-Y195 HydrophobicContact CD-CD1 3.89Å; K23-Y195 HydrophobicContact CD-CD2 3.95Å; K23-Y195 HydrophobicContact CD-CE1 3.68Å; K23-Y195 HydrophobicContact CD-CE2 3.76Å; K23-Y195 HydrophobicContact CD-CG 4Å; L25-Y195 HydrophobicContact CD2-CD1 4.21Å; L25-Y195 HydrophobicContact CD2-CE1 4.34Å; Y195-G199 PolarHBondContact N-O 3.32Å; Y195-G199 CarbonylContact O-C 3.55Å; Y195-G199 WeakPolarHBondContact O-CA 3Å; Y195-G199 PolarHBondContact O-N 2.97Å
196G86.3Confident93Very high60 Ų6049.7 Ų49.762%0.61927%0.266SS*.THydrogen-bonded Turntrans57.8-150-179.900000113.7G198G196-G198 VanDerWaalsContact C-N 3.29Å; G196-G198 PolarHBondContact O-N 2.85Å
197N80.9Confident93.1Very high164 Ų16446.4 Ų46.488%0.87723%0.232SC*.THydrogen-bonded Turntrans-76.975.7-178-76.5-11.7000112.1
198G80.8Confident93.2Very high32 Ų3240.5 Ų40.533%0.3321%0.207SC..THydrogen-bonded Turntrans94.8-7.4171.400000115.2T26 G196T26-G198 WeakPolarHBondContact CG2-O 3.43Å; G196-G198 VanDerWaalsContact C-N 3.29Å; G196-G198 PolarHBondContact O-N 2.85Å
199G88.7Confident93.2Very high1 Ų138.9 Ų38.91%0.0120%0.201CC..EExtended strand (participates in β ladder)trans-65.9166.2173.800000112.2C24 R194 Y195C24-G199 WeakPolarHBondContact O-CA 3.15Å; R194-G199 WeakPolarHBondContact CA-O 3.01Å; Y195-G199 PolarHBondContact N-O 3.32Å; Y195-G199 CarbonylContact O-C 3.55Å; Y195-G199 WeakPolarHBondContact O-CA 3Å; Y195-G199 PolarHBondContact O-N 2.97Å
200V94.7Very high93.1Very high0 Ų041.3 Ų41.30%022%0.22CC..EExtended strand (participates in β ladder)trans-132.3146.9177.756.80000109.2K23 C24 F152 F154 A167 C170 I179 C192 S193K23-V200 WeakPolarHBondContact CA-O 2.89Å; C24-V200 HydrophobicContact CB-CG1 4.47Å; C24-V200 PolarHBondContact N-O 3.41Å; C24-V200 PolarHBondContact O-N 2.63Å; F152-V200 HydrophobicContact CB-CG1 3.96Å; F152-V200 HydrophobicContact CD1-CB 4.1Å; F152-V200 HydrophobicContact CD1-CG1 3.31Å; F152-V200 HydrophobicContact CD1-CG2 3.79Å; F152-V200 HydrophobicContact CE1-CB 4.44Å; F152-V200 HydrophobicContact CE1-CG1 3.97Å; F152-V200 HydrophobicContact CE1-CG2 4.08Å; F152-V200 HydrophobicContact CG-CG1 3.75Å; F154-V200 HydrophobicContact CZ-CG1 4.12Å; A167-V200 HydrophobicContact CB-CB 3.78Å; A167-V200 HydrophobicContact CB-CG1 3.65Å; C170-V200 WeakPolarHBondContact SG-CG2 3.48Å; I179-V200 HydrophobicContact CG1-CG2 4.44Å; C192-V200 VanDerWaalsContact SG-CG2 3.57Å; S193-V200 CarbonylContact O-C 3.52Å; S193-V200 WeakPolarHBondContact O-CA 3.32Å
201Q95Very high93.1Very high19 Ų1946.5 Ų46.59%0.08925%0.245CC..EExtended strand (participates in β ladder)trans-140.8151.5178.168.1-173.8700112.1S21 E22 K23 S193 E203S21-Q201 PolarHBondContact OG-OE1 2.83Å; E22-Q201 WeakPolarHBondContact O-CA 3.39Å; E22-Q201 VanDerWaalsContact O-CB 3.28Å; E22-Q201 WeakPolarHBondContact O-CB 3.33Å; K23-Q201 HydrophobicContact CB-CB 4.41Å; K23-Q201 HydrophobicContact CG-CB 3.87Å; S193-Q201 PolarHBondContact N-O 3.48Å; S193-Q201 PolarHBondContact O-N 2.9Å; Q201-E203 HydrophobicContact CG-CG 4.11Å; Q201-E203 PolarHBondContact NE2-OE1 3.1Å
202I95.1Very high93.1Very high20 Ų2044 Ų4410%0.10325%0.247CC..EExtended strand (participates in β ladder)trans-98.4124.5170.3-64.7162.1000107.1S21 E22 F152 C170 I172 Y190S21-I202 WeakPolarHBondContact CA-O 3.41Å; E22-I202 PolarHBondContact O-N 2.89Å; E22-I202 VanDerWaalsContact O-N 3.12Å; F152-I202 HydrophobicContact CE1-CD1 4.12Å; F152-I202 HydrophobicContact CE1-CG1 3.83Å; F152-I202 HydrophobicContact CZ-CD1 4.19Å; F152-I202 HydrophobicContact CZ-CG1 4.18Å; C170-I202 HydrophobicContact CB-CD1 4.13Å; C170-I202 HydrophobicContact CB-CG1 3.75Å; I172-I202 HydrophobicContact CD1-CG1 4.2Å; I172-I202 HydrophobicContact CD1-CG2 3.95Å; I172-I202 HydrophobicContact CG1-CD1 3.84Å; I172-I202 HydrophobicContact CG1-CG1 3.91Å; I172-I202 HydrophobicContact CG1-CG2 4Å; Y190-I202 HydrophobicContact CD1-CG2 4.08Å
203E92.6Very high93.1Very high52 Ų5250.6 Ų50.624%0.24327%0.272CS..EExtended strand (participates in β ladder)trans-114.8135.2177-67.9167.3165.700109.5Y190 R191 S193 Q201 M205Y190-E203 CarbonylContact C-O 3.59Å; Y190-E203 WeakPolarHBondContact CA-O 3.28Å; R191-E203 PolarHBondContact N-O 2.82Å; R191-E203 PolarHBondContact O-N 3.35Å; S193-E203 VanDerWaalsContact CB-OE2 3.31Å; S193-E203 WeakPolarHBondContact CB-OE2 3.27Å; S193-E203 PolarHBondContact OG-OE2 2.9Å; Q201-E203 HydrophobicContact CG-CG 4.11Å; Q201-E203 PolarHBondContact NE2-OE1 3.1Å; E203-M205 HydrophobicContact CB-SD 3.72Å
204V94.6Very high93.2Very high12 Ų1255.7 Ų55.77%0.07329%0.29CS..EExtended strand (participates in β ladder)trans-81117.1162.263.90000107.7H20 F188 Y190 L237H20-V204 WeakPolarHBondContact ND1-CG1 2.99Å; F188-V204 HydrophobicContact CB-CG2 4.16Å; Y190-V204 HydrophobicContact CD1-CB 3.96Å; Y190-V204 HydrophobicContact CD1-CG2 4.31Å; Y190-V204 HydrophobicContact CE1-CB 3.77Å; Y190-V204 HydrophobicContact CE1-CG2 3.93Å; V204-L237 HydrophobicContact CG1-CD1 4.33Å; V204-L237 HydrophobicContact CG1-CG 4.09Å; V204-L237 HydrophobicContact CG2-CD1 3.67Å; V204-L237 HydrophobicContact CG2-CG 4.09Å
205M95.2Very high93.4Very high45 Ų4549.1 Ų49.122%0.22227%0.267CS..EExtended strand (participates in β ladder)trans-97.8-19-171.5-62.7-60.7-55.600113W189 R191 E203 A217W189-M205 HydrophobicContact CD2-CB 3.69Å; W189-M205 HydrophobicContact CE3-CB 3.52Å; W189-M205 HydrophobicContact CE3-CG 3.87Å; W189-M205 HydrophobicContact CH2-CB 3.15Å; W189-M205 HydrophobicContact CH2-CE 4.35Å; W189-M205 HydrophobicContact CH2-CG 3.7Å; W189-M205 HydrophobicContact CZ2-CB 3.29Å; W189-M205 HydrophobicContact CZ2-CG 4.32Å; W189-M205 HydrophobicContact CZ3-CB 3.27Å; W189-M205 HydrophobicContact CZ3-CG 3.43Å; W189-M205 VanDerWaalsContact CZ3-CG 3.43Å; W189-M205 PolarHBondContact O-N 2.88Å; R191-M205 HydrophobicContact CB-CG 3.48Å; R191-M205 VanDerWaalsContact CB-CG 3.48Å; R191-M205 HydrophobicContact CB-SD 3.89Å; E203-M205 HydrophobicContact CB-SD 3.72Å; M205-A217 PolarHBondContact O-N 3.07Å; M205-A217 VanDerWaalsContact O-N 3.08Å
206G97.3Very high93.8Very high0 Ų050.4 Ų50.40%028%0.276CS..EExtended strand (participates in β ladder)trans165.6-166.2-175.700000114.3F188 W189 V215F188-G206 WeakPolarHBondContact CA-O 3.35Å; W189-G206 PolarHBondContact N-O 3.31Å; W189-G206 VanDerWaalsContact NE1-CA 3.34Å; G206-V215 CarbonylContact C-O 3.5Å; G206-V215 WeakPolarHBondContact CA-O 3.41Å
207C97.6Very high94.3Very high0 Ų049 Ų490%026%0.258CS..EExtended strand (participates in β ladder)trans-102.2160.1-175-58.20000111.1K187 V215 F221 C230 I239K187-C207 CarbonylContact O-C 3.5Å; K187-C207 WeakPolarHBondContact O-CA 3.36Å; C207-V215 PolarHBondContact N-O 3.21Å; C207-V215 PolarHBondContact O-N 2.85Å; C207-F221 HydrophobicContact CB-CE1 4.35Å; C207-F221 HydrophobicContact CB-CZ 4.48Å; C207-C230 HydrophobicContact CB-CB 3.72Å; C207-C230 WeakPolarHBondContact CB-SG 3.5Å; C207-C230 PolarHBondContact N-SG 3.27Å; C207-C230 WeakPolarHBondContact SG-CA 3.44Å; C207-C230 WeakPolarHBondContact SG-CB 3.1Å; C207-C230 CovalentContact SG-SG 2.04Å; C207-C230 PolarHBondContact SG-SG 2.92Å; C207-I239 HydrophobicContact CB-CD1 3.91Å; C207-I239 HydrophobicContact CB-CG1 3.89Å; C207-I239 WeakPolarHBondContact SG-CG1 3.39Å
208V97.6Very high95Very high13 Ų1343.1 Ų43.18%0.07924%0.237CC..EExtended strand (participates in β ladder)trans-121.7125.1175.6-178.80000107.5N184 K187 F188 W189 R213N184-V208 HydrophobicContact CB-CG2 4.16Å; K187-V208 PolarHBondContact O-N 3.04Å; F188-V208 VanDerWaalsContact C-CG2 3.49Å; W189-V208 HydrophobicContact CB-CG2 3.76Å; W189-V208 HydrophobicContact CG-CG2 4.26Å; V208-R213 WeakPolarHBondContact CA-O 3.49Å
209D96Very high95.8Very high10 Ų1043.3 Ų43.35%0.05324%0.235CC..  trans-78.7175.6177.875.53.9000112.4H211 G212 R213 F221 D223D209-H211 PolarHBondContact O-N 2.77Å; D209-H211 VanDerWaalsContact O-N 3.1Å; D209-H211 WeakPolarHBondContact OD1-CA 3.34Å; D209-H211 WeakPolarHBondContact OD1-CB 3.48Å; D209-H211 PolarHBondContact OD1-N 3.14Å; D209-G212 PolarHBondContact O-N 3.35Å; D209-G212 PolarHBondContact OD1-N 2.73Å; D209-R213 PolarHBondContact N-O 3.25Å; D209-R213 VanDerWaalsContact N-O 3.1Å; D209-R213 WeakPolarHBondContact OD1-CB 3.34Å; D209-R213 PolarHBondContact OD1-N 3.12Å; D209-R213 IonicContact OD1-NE 3.36Å; D209-R213 IonicContact OD2-CZ 3.89Å; D209-R213 IonicContact OD2-NE 2.64Å; D209-R213 PolarHBondContact OD2-NE 2.82Å; D209-R213 IonicContact OD2-NH2 3.44Å; D209-R213 PolarHBondContact OD2-NH2 3Å; D209-F221 HydrophobicContact CB-CD2 3.88Å; D209-F221 HydrophobicContact CB-CE2 3.83Å; D209-D223 HydrophobicContact CB-CB 4.4Å
210S95.6Very high96.2Very high66 Ų6650.1 Ų50.146%0.46226%0.26SS..THydrogen-bonded Turntrans-61.4-18.3-179.474.10000114.3D223S210-D223 VanDerWaalsContact CB-OD1 3.26Å; S210-D223 WeakPolarHBondContact CB-OD1 3.47Å; S210-D223 WeakPolarHBondContact CB-OD2 3.49Å; S210-D223 PolarHBondContact N-OD2 2.77Å; S210-D223 PolarHBondContact OG-OD1 3.38Å
211H95.5Very high96.3Very high137 Ų13750.8 Ų50.863%0.63426%0.263SS*.THydrogen-bonded Turntrans-94.32.5176.3-59.4-58.1000113.2D209 R213D209-H211 PolarHBondContact O-N 2.77Å; D209-H211 VanDerWaalsContact O-N 3.1Å; D209-H211 WeakPolarHBondContact OD1-CA 3.34Å; D209-H211 WeakPolarHBondContact OD1-CB 3.48Å; D209-H211 PolarHBondContact OD1-N 3.14Å; H211-R213 VanDerWaalsContact C-N 3.32Å; H211-R213 HydrophobicContact CB-CG 4.32Å
212G96.1Very high96.3Very high37 Ų3753.4 Ų53.438%0.38128%0.275SS..  trans80.87.6-179.500000114.6N184 D209N184-G212 PolarHBondContact ND2-O 2.94Å; D209-G212 PolarHBondContact O-N 3.35Å; D209-G212 PolarHBondContact OD1-N 2.73Å
213R97.2Very high96.2Very high138 Ų13853.3 Ų53.352%0.52128%0.275SS..  trans-76.1139.7178.7-56.5180-64.2-176.52.2109.9V208 D209 H211 H222V208-R213 WeakPolarHBondContact CA-O 3.49Å; D209-R213 PolarHBondContact N-O 3.25Å; D209-R213 VanDerWaalsContact N-O 3.1Å; D209-R213 WeakPolarHBondContact OD1-CB 3.34Å; D209-R213 PolarHBondContact OD1-N 3.12Å; D209-R213 IonicContact OD1-NE 3.36Å; D209-R213 IonicContact OD2-CZ 3.89Å; D209-R213 IonicContact OD2-NE 2.64Å; D209-R213 PolarHBondContact OD2-NE 2.82Å; D209-R213 IonicContact OD2-NH2 3.44Å; D209-R213 PolarHBondContact OD2-NH2 3Å; H211-R213 VanDerWaalsContact C-N 3.32Å; H211-R213 HydrophobicContact CB-CG 4.32Å; R213-H222 PolarHBondContact NH2-O 3.25Å
214R97.8Very high96Very high118 Ų11857 Ų5745%0.44530%0.296SS..EExtended strand (participates in β ladder)trans-86.1126.8-179.8-67.9176.2177.8164.6-0.8110.1S182 N184 W189S182-R214 PolarHBondContact O-NH2 3.43Å; N184-R214 PolarHBondContact OD1-NE 2.81Å; N184-R214 PolarHBondContact OD1-NH2 2.83Å; W189-R214 HydrophobicContact CB-CG 4.17Å; W189-R214 HydrophobicContact CD2-CB 4.22Å; W189-R214 HydrophobicContact CD2-CG 4Å; W189-R214 HydrophobicContact CG-CB 4.18Å; W189-R214 HydrophobicContact CG-CG 3.75Å; W189-R214 HydrophobicContact CZ2-CB 4.47Å
215V97.8Very high95.6Very high18 Ų1859.1 Ų59.111%0.10932%0.32CS..EExtended strand (participates in β ladder)trans-115130.3176.3-179.10000107.4W189 G206 C207 A219 F221 C230W189-V215 PolarHBondContact NE1-O 3.14Å; G206-V215 CarbonylContact C-O 3.5Å; G206-V215 WeakPolarHBondContact CA-O 3.41Å; C207-V215 PolarHBondContact N-O 3.21Å; C207-V215 PolarHBondContact O-N 2.85Å; V215-A219 HydrophobicContact CG1-CB 3.73Å; V215-F221 HydrophobicContact CB-CB 4.45Å; V215-F221 HydrophobicContact CB-CD1 4.2Å; V215-F221 HydrophobicContact CB-CG 4.34Å; V215-F221 HydrophobicContact CG1-CB 3.98Å; V215-F221 HydrophobicContact CG1-CD1 3.69Å; V215-F221 HydrophobicContact CG1-CE1 4.45Å; V215-F221 HydrophobicContact CG1-CG 4.06Å; V215-F221 HydrophobicContact CG2-CB 3.66Å; V215-F221 HydrophobicContact CG2-CD1 4.06Å; V215-F221 HydrophobicContact CG2-CD2 4.09Å; V215-F221 HydrophobicContact CG2-CG 3.69Å; V215-C230 HydrophobicContact CG1-CB 4.28Å
216H97.5Very high95.5Very high117 Ų11760.4 Ų60.454%0.54232%0.324SS..EExtended strand (participates in β ladder)trans-69.2152.9178.4-75.3-77.5000111.8W189 A219W189-H216 AromaticContact CH2-CE1 3.77Å; W189-H216 AromaticContact CZ2-CE1 3.67Å; W189-H216 AromaticContact CZ2-ND1 3.64Å; H216-A219 VanDerWaalsContact O-CB 3.28Å; H216-A219 WeakPolarHBondContact O-CB 3.01Å; H216-A219 PolarHBondContact O-N 3.01Å; H216-A219 VanDerWaalsContact O-N 3.11Å
217A96.1Very high95.5Very high29 Ų2960.4 Ų60.424%0.2432%0.324CS..THydrogen-bonded Turntrans-53.7140.9169.100000111.2M205 A219 E232 L237M205-A217 PolarHBondContact O-N 3.07Å; M205-A217 VanDerWaalsContact O-N 3.08Å; A217-A219 PolarHBondContact O-N 3.29Å; A217-E232 HydrophobicContact CB-CG 3.81Å; A217-E232 VanDerWaalsContact CB-OE1 3.23Å; A217-E232 WeakPolarHBondContact CB-OE1 3.35Å; A217-L237 HydrophobicContact CB-CD1 4.09Å; A217-L237 HydrophobicContact CB-CD2 3.75Å
218G96.2Very high95.5Very high42 Ų4261.8 Ų61.843%0.43333%0.33SS..THydrogen-bonded Turntrans77.7-10.5-17400000115.4H229 C230G218-H229 PolarHBondContact O-NE2 3.3Å; G218-C230 WeakPolarHBondContact CA-O 3.31Å; G218-C230 PolarHBondContact N-O 3.08Å
219A97.7Very high95.5Very high35 Ų3563.4 Ų63.429%0.28934%0.337SS..  trans-85.2146.4-179.200000112.5V215 H216 A217 C230V215-A219 HydrophobicContact CG1-CB 3.73Å; H216-A219 VanDerWaalsContact O-CB 3.28Å; H216-A219 WeakPolarHBondContact O-CB 3.01Å; H216-A219 PolarHBondContact O-N 3.01Å; H216-A219 VanDerWaalsContact O-N 3.11Å; A217-A219 PolarHBondContact O-N 3.29Å; A219-C230 PolarHBondContact O-N 2.8Å
220R96.8Very high95.6Very high145 Ų14562.9 Ų62.955%0.54733%0.334SS..EExtended strand (participates in β ladder)trans-88.2151.1166.8-65.7179.5177.4170.7-2.6110.4L227 F228 H229 A242R220-L227 HydrophobicContact CB-CD1 4.09Å; R220-F228 CarbonylContact C-O 3.47Å; R220-F228 WeakPolarHBondContact CA-O 2.99Å; R220-F228 WeakPolarHBondContact CB-O 3.36Å; R220-H229 HydrophobicContact CG-CB 4.22Å; R220-A242 HydrophobicContact CG-CB 4.46Å
221F96.9Very high95.6Very high13 Ų1362.8 Ų62.86%0.05733%0.325CS..EExtended strand (participates in β ladder)trans-151.8152.7-179.664.7-79.1000112.1C207 D209 V215 D223 F228 C230 I239C207-F221 HydrophobicContact CB-CE1 4.35Å; C207-F221 HydrophobicContact CB-CZ 4.48Å; D209-F221 HydrophobicContact CB-CD2 3.88Å; D209-F221 HydrophobicContact CB-CE2 3.83Å; V215-F221 HydrophobicContact CB-CB 4.45Å; V215-F221 HydrophobicContact CB-CD1 4.2Å; V215-F221 HydrophobicContact CB-CG 4.34Å; V215-F221 HydrophobicContact CG1-CB 3.98Å; V215-F221 HydrophobicContact CG1-CD1 3.69Å; V215-F221 HydrophobicContact CG1-CE1 4.45Å; V215-F221 HydrophobicContact CG1-CG 4.06Å; V215-F221 HydrophobicContact CG2-CB 3.66Å; V215-F221 HydrophobicContact CG2-CD1 4.06Å; V215-F221 HydrophobicContact CG2-CD2 4.09Å; V215-F221 HydrophobicContact CG2-CG 3.69Å; F221-D223 HydrophobicContact CD2-CB 4.05Å; F221-D223 HydrophobicContact CE2-CB 3.93Å; F221-F228 HydrophobicContact CD1-CB 3.94Å; F221-F228 HydrophobicContact CD2-CB 4.26Å; F221-F228 HydrophobicContact CE1-CB 3.51Å; F221-F228 HydrophobicContact CE2-CB 3.86Å; F221-F228 HydrophobicContact CE2-CD2 4.32Å; F221-F228 HydrophobicContact CE2-CG 4.31Å; F221-F228 HydrophobicContact CG-CB 4.31Å; F221-F228 HydrophobicContact CZ-CB 3.47Å; F221-F228 VanDerWaalsContact CZ-CB 3.47Å; F221-F228 HydrophobicContact CZ-CG 4.15Å; F221-F228 PolarHBondContact N-O 2.87Å; F221-F228 PolarHBondContact O-N 2.75Å; F221-C230 HydrophobicContact CE1-CB 4.25Å; F221-I239 HydrophobicContact CE1-CG2 4.41Å; F221-I239 HydrophobicContact CZ-CD1 4.38Å; F221-I239 HydrophobicContact CZ-CG1 4.42Å; F221-I239 HydrophobicContact CZ-CG2 3.9Å
222H94.9Very high95.6Very high74 Ų7461.8 Ų61.834%0.34332%0.321SS..EExtended strand (participates in β ladder)trans-92.1127.4177.4-58.8179000109R213 F226 L227 E254R213-H222 PolarHBondContact NH2-O 3.25Å; H222-F226 WeakPolarHBondContact CA-O 3.42Å; H222-L227 VanDerWaalsContact CD2-CD1 3.49Å; H222-L227 WeakPolarHBondContact CD2-CD1 3.24Å; H222-E254 IonicContact CD2-OE1 3.9Å; H222-E254 IonicContact CE1-OE1 3.71Å; H222-E254 WeakPolarHBondContact NE2-CG 3.44Å; H222-E254 IonicContact NE2-OE1 3.06Å; H222-E254 PolarHBondContact NE2-OE1 3Å
223D93.4Very high95.3Very high19 Ų1965.1 Ų65.110%0.10233%0.325CS..EExtended strand (participates in β ladder)trans-147.3137174.3-160.910000109.8D209 S210 F221 G225 F226 F228D209-D223 HydrophobicContact CB-CB 4.4Å; S210-D223 VanDerWaalsContact CB-OD1 3.26Å; S210-D223 WeakPolarHBondContact CB-OD1 3.47Å; S210-D223 WeakPolarHBondContact CB-OD2 3.49Å; S210-D223 PolarHBondContact N-OD2 2.77Å; S210-D223 PolarHBondContact OG-OD1 3.38Å; F221-D223 HydrophobicContact CD2-CB 4.05Å; F221-D223 HydrophobicContact CE2-CB 3.93Å; D223-G225 PolarHBondContact O-N 3.06Å; D223-F226 PolarHBondContact N-O 2.84Å; D223-F226 PolarHBondContact O-N 3.39Å; D223-F228 HydrophobicContact CB-CD2 3.72Å; D223-F228 HydrophobicContact CB-CE2 3.83Å; D223-F228 WeakPolarHBondContact O-CE2 3.1Å
224L88.1Confident94.6Very high130 Ų13068.1 Ų68.168%0.68135%0.345SS*.THydrogen-bonded Turntrans46.934.1177.7-56.9176.4000115.1F226L224-F226 WeakPolarHBondContact O-CD2 3.4Å
225G86.2Confident93.8Very high56 Ų5666.2 Ų66.258%0.57735%0.346SS*.THydrogen-bonded Turntrans83.82.4179.200000116D223D223-G225 PolarHBondContact O-N 3.06Å
226F93.5Very high93.3Very high71 Ų7165.4 Ų65.431%0.31134%0.342SS..EExtended strand (participates in β ladder)trans-117.4162.5178.1-60.6-76.8000111.8H222 D223 L224 F228 F241 V282H222-F226 WeakPolarHBondContact CA-O 3.42Å; D223-F226 PolarHBondContact N-O 2.84Å; D223-F226 PolarHBondContact O-N 3.39Å; L224-F226 WeakPolarHBondContact O-CD2 3.4Å; F226-F228 HydrophobicContact CB-CD2 4.44Å; F226-F228 HydrophobicContact CB-CE2 3.89Å; F226-F228 HydrophobicContact CB-CZ 4.29Å; F226-F241 HydrophobicContact CB-CD1 4.23Å; F226-F241 HydrophobicContact CB-CE1 4.14Å; F226-F241 HydrophobicContact CD2-CE1 4.4Å; F226-F241 HydrophobicContact CG-CE1 4.15Å; F226-V282 HydrophobicContact CD1-CB 4.37Å; F226-V282 HydrophobicContact CD1-CG1 3.29Å; F226-V282 HydrophobicContact CD1-CG2 4.14Å; F226-V282 HydrophobicContact CE1-CG1 3.53Å; F226-V282 HydrophobicContact CE1-CG2 4.43Å; F226-V282 HydrophobicContact CG-CG1 3.94Å; F226-V282 HydrophobicContact CZ-CG1 4.33Å
227L97.2Very high93.2Very high0 Ų060.6 Ų60.60%032%0.32CS..EExtended strand (participates in β ladder)trans-96.3121.7172.4-172.765.2000108.7R220 H222 A242 G243 V245 E254R220-L227 HydrophobicContact CB-CD1 4.09Å; H222-L227 VanDerWaalsContact CD2-CD1 3.49Å; H222-L227 WeakPolarHBondContact CD2-CD1 3.24Å; L227-A242 HydrophobicContact CD2-CB 4.26Å; L227-A242 HydrophobicContact CG-CB 4.08Å; L227-A242 PolarHBondContact O-N 2.91Å; L227-G243 WeakPolarHBondContact CB-O 3.26Å; L227-G243 PolarHBondContact N-O 2.88Å; L227-G243 VanDerWaalsContact N-O 3.09Å; L227-G243 PolarHBondContact O-N 2.74Å; L227-V245 HydrophobicContact CB-CG2 3.93Å; L227-V245 HydrophobicContact CD1-CG2 4.48Å; L227-E254 VanDerWaalsContact CD1-CD 3.49Å; L227-E254 HydrophobicContact CD1-CG 3.86Å; L227-E254 HydrophobicContact CD2-CB 3.9Å; L227-E254 HydrophobicContact CD2-CG 4Å
228F97.9Very high93.2Very high30 Ų3060 Ų6013%0.13231%0.313CS..EExtended strand (participates in β ladder)trans-109.2158.7175.3-69.6-84.3000111R220 F221 D223 F226 I239 V240 F241R220-F228 CarbonylContact C-O 3.47Å; R220-F228 WeakPolarHBondContact CA-O 2.99Å; R220-F228 WeakPolarHBondContact CB-O 3.36Å; F221-F228 HydrophobicContact CD1-CB 3.94Å; F221-F228 HydrophobicContact CD2-CB 4.26Å; F221-F228 HydrophobicContact CE1-CB 3.51Å; F221-F228 HydrophobicContact CE2-CB 3.86Å; F221-F228 HydrophobicContact CE2-CD2 4.32Å; F221-F228 HydrophobicContact CE2-CG 4.31Å; F221-F228 HydrophobicContact CG-CB 4.31Å; F221-F228 HydrophobicContact CZ-CB 3.47Å; F221-F228 VanDerWaalsContact CZ-CB 3.47Å; F221-F228 HydrophobicContact CZ-CG 4.15Å; F221-F228 PolarHBondContact N-O 2.87Å; F221-F228 PolarHBondContact O-N 2.75Å; D223-F228 HydrophobicContact CB-CD2 3.72Å; D223-F228 HydrophobicContact CB-CE2 3.83Å; D223-F228 WeakPolarHBondContact O-CE2 3.1Å; F226-F228 HydrophobicContact CB-CD2 4.44Å; F226-F228 HydrophobicContact CB-CE2 3.89Å; F226-F228 HydrophobicContact CB-CZ 4.29Å; F228-I239 HydrophobicContact CB-CG2 4.1Å; F228-I239 HydrophobicContact CD1-CG2 3.56Å; F228-I239 HydrophobicContact CE1-CG2 4.29Å; F228-I239 HydrophobicContact CG-CG2 4.07Å; F228-V240 CarbonylContact C-O 3.45Å; F228-V240 VanDerWaalsContact CA-O 3.3Å; F228-V240 WeakPolarHBondContact CA-O 3.26Å; F228-F241 HydrophobicContact CD1-CD1 4.01Å; F228-F241 HydrophobicContact CD1-CE1 4.29Å; F228-F241 AromaticContact CE1-CD1 3.47Å; F228-F241 HydrophobicContact CE1-CD1 3.47Å; F228-F241 VanDerWaalsContact CE1-CD1 3.47Å; F228-F241 AromaticContact CE1-CE1 3.32Å; F228-F241 HydrophobicContact CE1-CE1 3.32Å; F228-F241 HydrophobicContact CE1-CG 4.22Å; F228-F241 AromaticContact CE1-CZ 3.95Å; F228-F241 HydrophobicContact CE1-CZ 3.95Å; F228-F241 HydrophobicContact CE2-CE1 4.34Å; F228-F241 AromaticContact CZ-CD1 3.84Å; F228-F241 HydrophobicContact CZ-CD1 3.84Å; F228-F241 AromaticContact CZ-CE1 3.36Å; F228-F241 HydrophobicContact CZ-CE1 3.36Å; F228-F241 HydrophobicContact CZ-CZ 4.13Å
229H97.7Very high93.2Very high46 Ų4660.1 Ų60.121%0.21330%0.303CS..EExtended strand (participates in β ladder)trans-123.9124.4171.5179.5-161.7000109.2G218 R220 K231 V240 A242G218-H229 PolarHBondContact O-NE2 3.3Å; R220-H229 HydrophobicContact CG-CB 4.22Å; H229-K231 PolarHBondContact O-N 3.45Å; H229-V240 HydrophobicContact CB-CG2 4.06Å; H229-V240 PolarHBondContact N-O 2.82Å; H229-V240 PolarHBondContact O-N 2.03Å; H229-A242 HydrophobicContact CB-CB 3.79Å
230C97.6Very high93.2Very high0 Ų059.2 Ų59.20%029%0.294CS..EExtended strand (participates in β ladder)trans-77.276.9170.5-170.20000109.7C207 V215 G218 A219 F221 T238C207-C230 HydrophobicContact CB-CB 3.72Å; C207-C230 WeakPolarHBondContact CB-SG 3.5Å; C207-C230 PolarHBondContact N-SG 3.27Å; C207-C230 WeakPolarHBondContact SG-CA 3.44Å; C207-C230 WeakPolarHBondContact SG-CB 3.1Å; C207-C230 CovalentContact SG-SG 2.04Å; C207-C230 PolarHBondContact SG-SG 2.92Å; V215-C230 HydrophobicContact CG1-CB 4.28Å; G218-C230 WeakPolarHBondContact CA-O 3.31Å; G218-C230 PolarHBondContact N-O 3.08Å; A219-C230 PolarHBondContact O-N 2.8Å; F221-C230 HydrophobicContact CE1-CB 4.25Å; C230-T238 CarbonylContact C-O 3.58Å
231K96.4Very high93.2Very high63 Ų6354.5 Ų54.527%0.27428%0.278SS..EExtended strand (participates in β ladder)trans-80.6129.6-167-176.8174.4178.4177.90111.8H229 T238 V240 E279H229-K231 PolarHBondContact O-N 3.45Å; K231-T238 HydrophobicContact CB-CG2 3.97Å; K231-T238 HydrophobicContact CG-CG2 4.5Å; K231-T238 PolarHBondContact N-O 3.05Å; K231-T238 PolarHBondContact O-N 2.63Å; K231-V240 HydrophobicContact CB-CG2 3.97Å; K231-V240 HydrophobicContact CD-CG2 4.01Å; K231-E279 IonicContact NZ-OE1 3.96Å; K231-E279 PolarHBondContact NZ-OE1 2.87Å; K231-E279 IonicContact NZ-OE2 3.39Å; K231-E279 PolarHBondContact NZ-OE2 2.98Å
232E93.9Very high93.2Very high116 Ų11654.4 Ų54.454%0.54228%0.279SS..EExtended strand (participates in β ladder)trans-72.5140171.3-67.8178.1-164.600111.3A217 L237A217-E232 HydrophobicContact CB-CG 3.81Å; A217-E232 VanDerWaalsContact CB-OE1 3.23Å; A217-E232 WeakPolarHBondContact CB-OE1 3.35Å; E232-L237 HydrophobicContact CB-CD2 4.27Å; E232-L237 HydrophobicContact CG-CD2 3.66Å
233K90.4Very high93.3Very high108 Ų10850.9 Ų50.947%0.4726%0.263SS..  trans-122.5168.6172.6-73.2-174.3169.2173.50109.5V235 G236 T238K233-V235 PolarHBondContact O-N 3.38Å; K233-G236 PolarHBondContact N-O 2.91Å; K233-T238 HydrophobicContact CD-CG2 4.12Å; K233-T238 VanDerWaalsContact CE-CG2 3.43Å; K233-T238 HydrophobicContact CG-CG2 4.29Å
234E82.3Confident93.5Very high200 Ų20050 Ų5094%0.93526%0.259SS*.SBendtrans-51.6-38.6170.2-68.8-177.3169.500112.1
235V81.5Confident93.8Very high79 Ų7945.4 Ų45.448%0.47924%0.236SC..SBendtrans-12697.9175.4-172.20000109.6K233K233-V235 PolarHBondContact O-N 3.38Å
236G88Confident94.2Very high1 Ų143.5 Ų43.51%0.0122%0.215CC..SBendtrans87.4-156.9170.200000114.6K233K233-G236 PolarHBondContact N-O 2.91Å
237L94.7Very high94.2Very high16 Ų1647 Ų478%0.08423%0.23CC..EExtended strand (participates in β ladder)trans-121.9156.3-178.2-62.1-177.7000111.2F188 V204 A217 E232F188-L237 HydrophobicContact CD1-CB 4.01Å; F188-L237 HydrophobicContact CD1-CD1 4.45Å; F188-L237 HydrophobicContact CE1-CB 3.72Å; V204-L237 HydrophobicContact CG1-CD1 4.33Å; V204-L237 HydrophobicContact CG1-CG 4.09Å; V204-L237 HydrophobicContact CG2-CD1 3.67Å; V204-L237 HydrophobicContact CG2-CG 4.09Å; A217-L237 HydrophobicContact CB-CD1 4.09Å; A217-L237 HydrophobicContact CB-CD2 3.75Å; E232-L237 HydrophobicContact CB-CD2 4.27Å; E232-L237 HydrophobicContact CG-CD2 3.66Å
238T95.5Very high93.9Very high16 Ų1647.9 Ų47.910%0.09823%0.234CC..EExtended strand (participates in β ladder)trans-137.5155.6169.6-1590000110.4C230 K231 K233 V240C230-T238 CarbonylContact C-O 3.58Å; K231-T238 HydrophobicContact CB-CG2 3.97Å; K231-T238 HydrophobicContact CG-CG2 4.5Å; K231-T238 PolarHBondContact N-O 3.05Å; K231-T238 PolarHBondContact O-N 2.63Å; K233-T238 HydrophobicContact CD-CG2 4.12Å; K233-T238 VanDerWaalsContact CE-CG2 3.43Å; K233-T238 HydrophobicContact CG-CG2 4.29Å; T238-V240 HydrophobicContact CG2-CG1 3.82Å
239I96.6Very high93.4Very high44 Ų4454.8 Ų54.823%0.22626%0.264CS..EExtended strand (participates in β ladder)trans-105121.5171.1-63.1170.3000106.7K187 F188 C207 F221 F228K187-I239 HydrophobicContact CB-CD1 3.78Å; K187-I239 HydrophobicContact CD-CD1 4.19Å; F188-I239 HydrophobicContact CE1-CG1 4.39Å; C207-I239 HydrophobicContact CB-CD1 3.91Å; C207-I239 HydrophobicContact CB-CG1 3.89Å; C207-I239 WeakPolarHBondContact SG-CG1 3.39Å; F221-I239 HydrophobicContact CE1-CG2 4.41Å; F221-I239 HydrophobicContact CZ-CD1 4.38Å; F221-I239 HydrophobicContact CZ-CG1 4.42Å; F221-I239 HydrophobicContact CZ-CG2 3.9Å; F228-I239 HydrophobicContact CB-CG2 4.1Å; F228-I239 HydrophobicContact CD1-CG2 3.56Å; F228-I239 HydrophobicContact CE1-CG2 4.29Å; F228-I239 HydrophobicContact CG-CG2 4.07Å
240V97Very high93Very high16 Ų1655.7 Ų55.710%0.09729%0.285CS..EExtended strand (participates in β ladder)trans-126.2155.4177.7-67.90000110.3F228 H229 K231 T238 E279F228-V240 CarbonylContact C-O 3.45Å; F228-V240 VanDerWaalsContact CA-O 3.3Å; F228-V240 WeakPolarHBondContact CA-O 3.26Å; H229-V240 HydrophobicContact CB-CG2 4.06Å; H229-V240 PolarHBondContact N-O 2.82Å; H229-V240 PolarHBondContact O-N 2.03Å; K231-V240 HydrophobicContact CB-CG2 3.97Å; K231-V240 HydrophobicContact CD-CG2 4.01Å; T238-V240 HydrophobicContact CG2-CG1 3.82Å; V240-E279 HydrophobicContact CB-CB 3.81Å; V240-E279 HydrophobicContact CB-CG 4.13Å; V240-E279 HydrophobicContact CG1-CB 3.97Å; V240-E279 HydrophobicContact CG1-CG 4.5Å; V240-E279 HydrophobicContact CG2-CB 4.42Å; V240-E279 HydrophobicContact CG2-CG 4.18Å
241F98Very high92.7Very high47 Ų4760.1 Ų60.121%0.20631%0.312CS..EExtended strand (participates in β ladder)trans-65.1139.9168.2-67.5-70.4000110.1F226 F228 F257 N278 E279 K280 V282F226-F241 HydrophobicContact CB-CD1 4.23Å; F226-F241 HydrophobicContact CB-CE1 4.14Å; F226-F241 HydrophobicContact CD2-CE1 4.4Å; F226-F241 HydrophobicContact CG-CE1 4.15Å; F228-F241 HydrophobicContact CD1-CD1 4.01Å; F228-F241 HydrophobicContact CD1-CE1 4.29Å; F228-F241 AromaticContact CE1-CD1 3.47Å; F228-F241 HydrophobicContact CE1-CD1 3.47Å; F228-F241 VanDerWaalsContact CE1-CD1 3.47Å; F228-F241 AromaticContact CE1-CE1 3.32Å; F228-F241 HydrophobicContact CE1-CE1 3.32Å; F228-F241 HydrophobicContact CE1-CG 4.22Å; F228-F241 AromaticContact CE1-CZ 3.95Å; F228-F241 HydrophobicContact CE1-CZ 3.95Å; F228-F241 HydrophobicContact CE2-CE1 4.34Å; F228-F241 AromaticContact CZ-CD1 3.84Å; F228-F241 HydrophobicContact CZ-CD1 3.84Å; F228-F241 AromaticContact CZ-CE1 3.36Å; F228-F241 HydrophobicContact CZ-CE1 3.36Å; F228-F241 HydrophobicContact CZ-CZ 4.13Å; F241-F257 HydrophobicContact CB-CZ 3.95Å; F241-N278 WeakPolarHBondContact CB-O 3.3Å; F241-E279 PolarHBondContact N-O 2.85Å; F241-K280 WeakPolarHBondContact CE2-O 3.44Å; F241-V282 HydrophobicContact CB-CB 4.3Å; F241-V282 HydrophobicContact CB-CG1 4.41Å; F241-V282 HydrophobicContact CD1-CB 4.08Å; F241-V282 HydrophobicContact CD1-CG1 3.29Å; F241-V282 HydrophobicContact CD2-CG1 4.21Å; F241-V282 HydrophobicContact CE1-CG1 3.37Å; F241-V282 HydrophobicContact CE2-CG1 4.28Å; F241-V282 HydrophobicContact CG-CB 4.08Å; F241-V282 HydrophobicContact CG-CG1 3.73Å; F241-V282 HydrophobicContact CZ-CG1 3.89Å
242A97.5Very high92.6Very high11 Ų1160.7 Ų60.79%0.09132%0.321CS..EExtended strand (participates in β ladder)trans-120.9-10.5176.800000112.7R220 L227 H229R220-A242 HydrophobicContact CG-CB 4.46Å; L227-A242 HydrophobicContact CD2-CB 4.26Å; L227-A242 HydrophobicContact CG-CB 4.08Å; L227-A242 PolarHBondContact O-N 2.91Å; H229-A242 HydrophobicContact CB-CB 3.79Å
243G97.1Very high92.6Very high0 Ų061.3 Ų61.30%032%0.318CS..EExtended strand (participates in β ladder)trans154-157.4177.700000113.3L227 F255L227-G243 WeakPolarHBondContact CB-O 3.26Å; L227-G243 PolarHBondContact N-O 2.88Å; L227-G243 VanDerWaalsContact N-O 3.09Å; L227-G243 PolarHBondContact O-N 2.74Å; G243-F255 CarbonylContact C-O 3.59Å; G243-F255 WeakPolarHBondContact CA-O 3.46Å
244C95.7Very high92.9Very high1 Ų160.2 Ų60.21%0.00732%0.315CS..EExtended strand (participates in β ladder)trans-112.8152.8-175.9-56.10000110.4F255 W261 C275 V282 V284C244-F255 PolarHBondContact N-O 2.84Å; C244-F255 PolarHBondContact O-N 2.94Å; C244-W261 HydrophobicContact CB-CH2 4.11Å; C244-W261 HydrophobicContact CB-CZ3 4.29Å; C244-C275 HydrophobicContact CB-CB 3.71Å; C244-C275 WeakPolarHBondContact CB-SG 3.19Å; C244-C275 PolarHBondContact N-SG 2.94Å; C244-C275 WeakPolarHBondContact SG-CA 3.27Å; C244-C275 WeakPolarHBondContact SG-CB 3.48Å; C244-C275 CovalentContact SG-SG 2.05Å; C244-C275 PolarHBondContact SG-SG 3.35Å; C244-V282 VanDerWaalsContact SG-CG2 3.52Å; C244-V284 HydrophobicContact CB-CG2 4.15Å
245V95.5Very high93.6Very high33 Ų3351.2 Ų51.220%0.227%0.273CS..EExtended strand (participates in β ladder)trans-117.5123.2171.9-178.50000107.6L227 T252L227-V245 HydrophobicContact CB-CG2 3.93Å; L227-V245 HydrophobicContact CD1-CG2 4.48Å; V245-T252 HydrophobicContact CG1-CG2 3.41Å; V245-T252 VanDerWaalsContact CG1-CG2 3.41Å
246A94Very high94.2Very high16 Ų1648.3 Ų48.313%0.13226%0.259CS..EExtended strand (participates in β ladder)trans-144.2159.6-179.400000111.8R253 F255 W261A246-R253 PolarHBondContact N-O 3.39Å; A246-R253 PolarHBondContact O-N 2.82Å; A246-F255 HydrophobicContact CB-CD2 4.14Å; A246-F255 HydrophobicContact CB-CE2 3.92Å; A246-W261 HydrophobicContact CB-CD2 3.93Å; A246-W261 HydrophobicContact CB-CG 4.34Å; A246-W261 HydrophobicContact CB-CH2 4.25Å; A246-W261 HydrophobicContact CB-CZ2 3.47Å; A246-W261 VanDerWaalsContact CB-CZ2 3.47Å
247K92.9Very high94.6Very high144 Ų14451.7 Ų51.763%0.62627%0.274SS*.EExtended strand (participates in β ladder)trans-89.9119.1172.4-71.6-176.4178.5-179.30109.7V251K247-V251 CarbonylContact C-O 3.56Å; K247-V251 WeakPolarHBondContact CA-O 3.06Å
248E91.5Very high94.7Very high18 Ų1853.7 Ų53.78%0.08430%0.298CS..EExtended strand (participates in β ladder)trans-115.6124171.6-166.1-175.2-135.800108.3G250 V251 R253 F255 W261 Y262E248-G250 PolarHBondContact O-N 2.92Å; E248-G250 VanDerWaalsContact O-N 3.09Å; E248-V251 PolarHBondContact N-O 3Å; E248-V251 PolarHBondContact O-N 3.22Å; E248-R253 IonicContact OE2-CZ 3.88Å; E248-R253 IonicContact OE2-NE 2.67Å; E248-R253 IonicContact OE2-NH1 2.79Å; E248-R253 PolarHBondContact OE2-NH1 3.34Å; E248-F255 HydrophobicContact CB-CZ 4.14Å; E248-W261 HydrophobicContact CB-CB 4.4Å; E248-W261 HydrophobicContact CG-CB 4.18Å; E248-W261 WeakPolarHBondContact OE1-CA 3.34Å; E248-W261 WeakPolarHBondContact OE1-CB 3.38Å; E248-Y262 PolarHBondContact OE1-N 2.89Å
249F87.9Confident94.8Very high176 Ų17657.8 Ų57.877%0.77232%0.316SS*.THydrogen-bonded Turntrans51.233.1-173.9-52.6-68.2000114.4V251F249-V251 VanDerWaalsContact C-N 3.3Å; F249-V251 PolarHBondContact O-N 3.36Å
250G88.2Confident94.8Very high64 Ų6457.4 Ų57.466%0.6632%0.318SS*.THydrogen-bonded Turntrans86.1-8.9179.400000115.1E248E248-G250 PolarHBondContact O-N 2.92Å; E248-G250 VanDerWaalsContact O-N 3.09Å
251V92.7Very high94.8Very high94 Ų9457.3 Ų57.357%0.5732%0.315SS*.EExtended strand (participates in β ladder)trans-98.7130.7178.4-177.40000109.6K247 E248 F249 R253K247-V251 CarbonylContact C-O 3.56Å; K247-V251 WeakPolarHBondContact CA-O 3.06Å; E248-V251 PolarHBondContact N-O 3Å; E248-V251 PolarHBondContact O-N 3.22Å; F249-V251 VanDerWaalsContact C-N 3.3Å; F249-V251 PolarHBondContact O-N 3.36Å; V251-R253 HydrophobicContact CG1-CG 4.36Å; V251-R253 PolarHBondContact O-N 3.06Å
252T93.4Very high94.6Very high74 Ų7458.6 Ų58.645%0.45432%0.32SS..EExtended strand (participates in β ladder)trans-69122.7171.9-57.70000109.3V245V245-T252 HydrophobicContact CG1-CG2 3.41Å; V245-T252 VanDerWaalsContact CG1-CG2 3.41Å
253R95.1Very high94.4Very high129 Ų12959.9 Ų59.949%0.48733%0.326SS..EExtended strand (participates in β ladder)trans-127.2154.3179.1-64-175.371.9174.95.1110.7A246 E248 V251 F255A246-R253 PolarHBondContact N-O 3.39Å; A246-R253 PolarHBondContact O-N 2.82Å; E248-R253 IonicContact OE2-CZ 3.88Å; E248-R253 IonicContact OE2-NE 2.67Å; E248-R253 IonicContact OE2-NH1 2.79Å; E248-R253 PolarHBondContact OE2-NH1 3.34Å; V251-R253 HydrophobicContact CG1-CG 4.36Å; V251-R253 PolarHBondContact O-N 3.06Å; R253-F255 HydrophobicContact CB-CE2 3.64Å; R253-F255 HydrophobicContact CB-CZ 3.63Å
254E96Very high94.2Very high86 Ų8668.3 Ų68.340%0.40236%0.363SS..EExtended strand (participates in β ladder)trans-94.1138.1173.2-68.2178.4-166.200109.5H222 L227H222-E254 IonicContact CD2-OE1 3.9Å; H222-E254 IonicContact CE1-OE1 3.71Å; H222-E254 WeakPolarHBondContact NE2-CG 3.44Å; H222-E254 IonicContact NE2-OE1 3.06Å; H222-E254 PolarHBondContact NE2-OE1 3Å; L227-E254 VanDerWaalsContact CD1-CD 3.49Å; L227-E254 HydrophobicContact CD1-CG 3.86Å; L227-E254 HydrophobicContact CD2-CB 3.9Å; L227-E254 HydrophobicContact CD2-CG 4Å
255F95.9Very high93.9Very high10 Ų1072 Ų724%0.04439%0.387CS..EExtended strand (participates in β ladder)trans-128.5118.9178.8-61.8-81.1000109.6G243 C244 A246 E248 R253 E259 W261 C275G243-F255 CarbonylContact C-O 3.59Å; G243-F255 WeakPolarHBondContact CA-O 3.46Å; C244-F255 PolarHBondContact N-O 2.84Å; C244-F255 PolarHBondContact O-N 2.94Å; A246-F255 HydrophobicContact CB-CD2 4.14Å; A246-F255 HydrophobicContact CB-CE2 3.92Å; E248-F255 HydrophobicContact CB-CZ 4.14Å; R253-F255 HydrophobicContact CB-CE2 3.64Å; R253-F255 HydrophobicContact CB-CZ 3.63Å; F255-E259 VanDerWaalsContact CA-OE2 3.31Å; F255-E259 WeakPolarHBondContact CA-OE2 3.4Å; F255-E259 HydrophobicContact CB-CB 4.18Å; F255-E259 HydrophobicContact CD1-CB 4.31Å; F255-W261 HydrophobicContact CB-CE3 4.14Å; F255-W261 HydrophobicContact CB-CZ3 4.18Å; F255-W261 HydrophobicContact CD1-CB 4.23Å; F255-W261 HydrophobicContact CD1-CE3 4Å; F255-W261 HydrophobicContact CD2-CD2 4.05Å; F255-W261 AromaticContact CD2-CE3 3.73Å; F255-W261 HydrophobicContact CD2-CE3 3.73Å; F255-W261 HydrophobicContact CD2-CG 4.48Å; F255-W261 HydrophobicContact CD2-CZ3 4.21Å; F255-W261 HydrophobicContact CE1-CB 3.53Å; F255-W261 HydrophobicContact CE1-CE3 4.39Å; F255-W261 HydrophobicContact CE1-CG 4.3Å; F255-W261 HydrophobicContact CE2-CB 4Å; F255-W261 HydrophobicContact CE2-CD2 4.02Å; F255-W261 HydrophobicContact CE2-CE3 4.14Å; F255-W261 AromaticContact CE2-CG 3.98Å; F255-W261 HydrophobicContact CE2-CG 3.98Å; F255-W261 HydrophobicContact CG-CD2 4.36Å; F255-W261 AromaticContact CG-CE3 3.65Å; F255-W261 HydrophobicContact CG-CE3 3.65Å; F255-W261 HydrophobicContact CG-CZ3 4.15Å; F255-W261 HydrophobicContact CZ-CB 3.39Å; F255-W261 HydrophobicContact CZ-CD2 4.29Å; F255-W261 HydrophobicContact CZ-CE3 4.45Å; F255-W261 AromaticContact CZ-CG 3.88Å; F255-W261 HydrophobicContact CZ-CG 3.88Å; F255-C275 HydrophobicContact CB-CB 4.31Å
256G95.8Very high93.6Very high19 Ų1976.2 Ų76.220%0.19641%0.412CS..  trans-66167.7171.400000112.2G258 E259 C275G256-G258 PolarHBondContact O-N 2.96Å; G256-E259 PolarHBondContact N-OE2 3.3Å; G256-E259 WeakPolarHBondContact O-CB 3.25Å; G256-E259 PolarHBondContact O-N 3.32Å; G256-C275 WeakPolarHBondContact O-CB 3.5Å
257F96.6Very high93.4Very high71 Ų7179 Ų7931%0.31144%0.443SS..THydrogen-bonded Turntrans-61.1130.9175.8-55.6-58.5000111.1F241 E259 N278 V282F241-F257 HydrophobicContact CB-CZ 3.95Å; F257-E259 VanDerWaalsContact C-N 3.28Å; F257-N278 WeakPolarHBondContact CZ-O 3.44Å; F257-V282 HydrophobicContact CE1-CB 4.24Å; F257-V282 HydrophobicContact CE1-CG2 4.04Å
258G96.1Very high93.3Very high58 Ų5873.6 Ų73.660%0.59842%0.423SS*.THydrogen-bonded Turntrans86.2-13.3-174.600000114.4G256 C275G256-G258 PolarHBondContact O-N 2.96Å; G258-C275 PolarHBondContact N-O 2.93Å
259E97.3Very high93.4Very high103 Ų10374.2 Ų74.248%0.48143%0.427SS..  trans-75153.3175-61.9-172.415700111.2F255 G256 F257 V274 C275F255-E259 VanDerWaalsContact CA-OE2 3.31Å; F255-E259 WeakPolarHBondContact CA-OE2 3.4Å; F255-E259 HydrophobicContact CB-CB 4.18Å; F255-E259 HydrophobicContact CD1-CB 4.31Å; G256-E259 PolarHBondContact N-OE2 3.3Å; G256-E259 WeakPolarHBondContact O-CB 3.25Å; G256-E259 PolarHBondContact O-N 3.32Å; F257-E259 VanDerWaalsContact C-N 3.28Å; E259-V274 WeakPolarHBondContact O-CA 3.33Å; E259-C275 PolarHBondContact O-N 2.95Å
260S96.7Very high93.7Very high36 Ų3666.6 Ų66.625%0.25240%0.395SS..EExtended strand (participates in β ladder)trans-132.7150.6-173.971.10000112R272 M273S260-R272 PolarHBondContact OG-NE 3.38Å; S260-R272 PolarHBondContact OG-NH2 3.33Å; S260-M273 CarbonylContact C-O 3.57Å; S260-M273 WeakPolarHBondContact CA-O 3.46Å; S260-M273 WeakPolarHBondContact CB-O 3.16Å
261W96.2Very high94.1Very high13 Ų1366 Ų665%0.04937%0.374CS..EExtended strand (participates in β ladder)trans-139.2164175.968.897.2000111.5C244 A246 E248 F255 R272 M273 C275 V284C244-W261 HydrophobicContact CB-CH2 4.11Å; C244-W261 HydrophobicContact CB-CZ3 4.29Å; A246-W261 HydrophobicContact CB-CD2 3.93Å; A246-W261 HydrophobicContact CB-CG 4.34Å; A246-W261 HydrophobicContact CB-CH2 4.25Å; A246-W261 HydrophobicContact CB-CZ2 3.47Å; A246-W261 VanDerWaalsContact CB-CZ2 3.47Å; E248-W261 HydrophobicContact CB-CB 4.4Å; E248-W261 HydrophobicContact CG-CB 4.18Å; E248-W261 WeakPolarHBondContact OE1-CA 3.34Å; E248-W261 WeakPolarHBondContact OE1-CB 3.38Å; F255-W261 HydrophobicContact CB-CE3 4.14Å; F255-W261 HydrophobicContact CB-CZ3 4.18Å; F255-W261 HydrophobicContact CD1-CB 4.23Å; F255-W261 HydrophobicContact CD1-CE3 4Å; F255-W261 HydrophobicContact CD2-CD2 4.05Å; F255-W261 AromaticContact CD2-CE3 3.73Å; F255-W261 HydrophobicContact CD2-CE3 3.73Å; F255-W261 HydrophobicContact CD2-CG 4.48Å; F255-W261 HydrophobicContact CD2-CZ3 4.21Å; F255-W261 HydrophobicContact CE1-CB 3.53Å; F255-W261 HydrophobicContact CE1-CE3 4.39Å; F255-W261 HydrophobicContact CE1-CG 4.3Å; F255-W261 HydrophobicContact CE2-CB 4Å; F255-W261 HydrophobicContact CE2-CD2 4.02Å; F255-W261 HydrophobicContact CE2-CE3 4.14Å; F255-W261 AromaticContact CE2-CG 3.98Å; F255-W261 HydrophobicContact CE2-CG 3.98Å; F255-W261 HydrophobicContact CG-CD2 4.36Å; F255-W261 AromaticContact CG-CE3 3.65Å; F255-W261 HydrophobicContact CG-CE3 3.65Å; F255-W261 HydrophobicContact CG-CZ3 4.15Å; F255-W261 HydrophobicContact CZ-CB 3.39Å; F255-W261 HydrophobicContact CZ-CD2 4.29Å; F255-W261 HydrophobicContact CZ-CE3 4.45Å; F255-W261 AromaticContact CZ-CG 3.88Å; F255-W261 HydrophobicContact CZ-CG 3.88Å; W261-R272 CarbonylContact O-C 3.57Å; W261-R272 WeakPolarHBondContact O-CA 3.44Å; W261-M273 HydrophobicContact CD2-CB 3.77Å; W261-M273 HydrophobicContact CD2-CG 4.48Å; W261-M273 HydrophobicContact CE3-CB 4.14Å; W261-M273 HydrophobicContact CG-CB 4.38Å; W261-M273 HydrophobicContact CH2-CB 3.87Å; W261-M273 HydrophobicContact CZ2-CB 3.46Å; W261-M273 VanDerWaalsContact CZ2-CB 3.46Å; W261-M273 HydrophobicContact CZ2-CG 3.98Å; W261-M273 HydrophobicContact CZ3-CB 4.18Å; W261-M273 PolarHBondContact N-O 2.76Å; W261-M273 PolarHBondContact O-N 2.88Å; W261-C275 HydrophobicContact CZ3-CB 4.01Å; W261-V284 HydrophobicContact CH2-CB 4.26Å; W261-V284 HydrophobicContact CH2-CG1 3.47Å; W261-V284 VanDerWaalsContact CH2-CG1 3.47Å; W261-V284 HydrophobicContact CH2-CG2 3.84Å; W261-V284 HydrophobicContact CZ2-CG1 3.57Å; W261-V284 HydrophobicContact CZ2-CG2 4.39Å
262Y94.8Very high94.3Very high75 Ų7564.8 Ų64.829%0.29436%0.359SS..EExtended strand (participates in β ladder)trans-98.8134175.8-62.2-78.8000111.2E248 Y271 R272 I290 R297E248-Y262 PolarHBondContact OE1-N 2.89Å; Y262-Y271 WeakPolarHBondContact CA-O 3.49Å; Y262-R272 HydrophobicContact CD1-CB 4.03Å; Y262-R272 HydrophobicContact CD1-CG 4.24Å; Y262-R272 HydrophobicContact CE1-CB 3.85Å; Y262-R272 HydrophobicContact CE1-CG 3.88Å; Y262-I290 HydrophobicContact CD1-CD1 3.3Å; Y262-I290 HydrophobicContact CE1-CD1 3.35Å; Y262-R297 PolarHBondContact OH-NH2 3.13Å
263T93.7Very high94.4Very high38 Ų3862.5 Ų62.523%0.23334%0.343CS..PPolyproline II helixtrans-69.3157.3172.367.40000110.6Y271 M273T263-Y271 PolarHBondContact N-O 2.64Å; T263-Y271 PolarHBondContact OG1-N 2.85Å; T263-M273 HydrophobicContact CG2-CG 3.5Å; T263-M273 HydrophobicContact CG2-SD 3.72Å
264K91.4Very high94.5Very high177 Ų17757.4 Ų57.477%0.7733%0.326SS*.PPolyproline II helixtrans-56.6134.4165.6-173.4178.3177.2-178.60109.1V266K264-V266 PolarHBondContact O-N 2.8Å
265P90.6Very high94.5Very high79 Ų7953.3 Ų53.351%0.51331%0.307SS..PPolyproline II helixtrans-60.1136174.3-23.933.8000112L269P265-L269 CarbonylContact C-O 3.59Å; P265-L269 WeakPolarHBondContact CA-O 3.41Å
266V88.3Confident94.5Very high120 Ų12056.7 Ų56.773%0.72732%0.323SS*.BIsolated β-bridgetrans-108.4103.9167.1-178.90000106.8K264 S268 L269K264-V266 PolarHBondContact O-N 2.8Å; V266-S268 PolarHBondContact O-N 3.41Å; V266-L269 PolarHBondContact N-O 3.48Å; V266-L269 PolarHBondContact O-N 2.94Å
267G89.6Confident94.6Very high75 Ų7557.1 Ų57.177%0.77333%0.328SS*.THydrogen-bonded Turntrans61.8-121.7-16500000109.8
268S90.7Very high94.6Very high31 Ų3157 Ų5722%0.21733%0.33CS..THydrogen-bonded Turntrans-99.53.4179.2570000115.2V266 A291 N292 L293V266-S268 PolarHBondContact O-N 3.41Å; S268-A291 WeakPolarHBondContact O-CA 3.49Å; S268-N292 WeakPolarHBondContact CB-O 3.35Å; S268-N292 PolarHBondContact O-N 2.85Å; S268-L293 WeakPolarHBondContact OG-CD2 3.39Å; S268-L293 WeakPolarHBondContact OG-CG 3.41Å
269L94.1Very high94.6Very high31 Ų3158.1 Ų58.116%0.16232%0.32CS..EExtended strand (participates in β ladder)trans-107.4137.4-176.3-60.8177.1000110.3P265 V266 I290 A291 F314 A326 L328P265-L269 CarbonylContact C-O 3.59Å; P265-L269 WeakPolarHBondContact CA-O 3.41Å; V266-L269 PolarHBondContact N-O 3.48Å; V266-L269 PolarHBondContact O-N 2.94Å; L269-I290 CarbonylContact C-O 3.5Å; L269-I290 WeakPolarHBondContact CA-O 3.47Å; L269-A291 HydrophobicContact CD2-CB 3.88Å; L269-F314 HydrophobicContact CD2-CD2 4.5Å; L269-F314 HydrophobicContact CD2-CE2 3.9Å; L269-A326 HydrophobicContact CB-CB 4.46Å; L269-A326 HydrophobicContact CD1-CB 4.06Å; L269-A326 WeakPolarHBondContact CD1-O 3.12Å; L269-A326 HydrophobicContact CD2-CB 4.34Å; L269-L328 HydrophobicContact CD2-CD1 3.93Å; L269-L328 HydrophobicContact CD2-CG 4.27Å
270S94.8Very high94.6Very high16 Ų1662.1 Ų62.111%0.11234%0.336CS..EExtended strand (participates in β ladder)trans-140.8169.5168.663.20000110.1I290S270-I290 PolarHBondContact N-O 3.29Å; S270-I290 PolarHBondContact O-N 3.07Å
271Y95.8Very high94.5Very high52 Ų5265.4 Ų65.420%0.20435%0.347CS..EExtended strand (participates in β ladder)trans-123.5144.9-180-57.8-86.4000109.6Y262 T263 V286 E288 C289 A326Y262-Y271 WeakPolarHBondContact CA-O 3.49Å; T263-Y271 PolarHBondContact N-O 2.64Å; T263-Y271 PolarHBondContact OG1-N 2.85Å; Y271-V286 HydrophobicContact CD1-CG1 3.72Å; Y271-V286 HydrophobicContact CD1-CG2 4.38Å; Y271-V286 HydrophobicContact CG-CG1 4.43Å; Y271-E288 WeakPolarHBondContact CA-O 3.04Å; Y271-C289 HydrophobicContact CD1-CB 4.43Å; Y271-C289 HydrophobicContact CE1-CB 4.49Å; Y271-A326 HydrophobicContact CE1-CB 3.61Å; Y271-A326 WeakPolarHBondContact OH-CB 3.5Å; Y271-A326 PolarHBondContact OH-N 3.4Å
272R96.8Very high94.5Very high67 Ų6765.9 Ų65.925%0.25335%0.351SS..EExtended strand (participates in β ladder)trans-92.2114.5161-171-177.9167.8-138-8.4107.7S260 W261 Y262 A287 E288 I290S260-R272 PolarHBondContact OG-NE 3.38Å; S260-R272 PolarHBondContact OG-NH2 3.33Å; W261-R272 CarbonylContact O-C 3.57Å; W261-R272 WeakPolarHBondContact O-CA 3.44Å; Y262-R272 HydrophobicContact CD1-CB 4.03Å; Y262-R272 HydrophobicContact CD1-CG 4.24Å; Y262-R272 HydrophobicContact CE1-CB 3.85Å; Y262-R272 HydrophobicContact CE1-CG 3.88Å; R272-A287 PolarHBondContact O-N 2.8Å; R272-E288 HydrophobicContact CB-CB 3.94Å; R272-E288 WeakPolarHBondContact CD-OE2 3.42Å; R272-E288 IonicContact CZ-OE1 3.87Å; R272-E288 PolarHBondContact N-O 2.95Å; R272-E288 IonicContact NH1-OE1 2.71Å; R272-E288 PolarHBondContact NH1-OE1 2.04Å; R272-E288 IonicContact NH1-OE2 3.11Å; R272-E288 PolarHBondContact O-N 2.91Å; R272-I290 HydrophobicContact CB-CD1 4.27Å
273M96.2Very high94.5Very high27 Ų2764.2 Ų64.213%0.13335%0.351CS..EExtended strand (participates in β ladder)trans-93.7149.1176.3-49.7-55.4-64.800109.7S260 W261 T263 V284 E285 V286S260-M273 CarbonylContact C-O 3.57Å; S260-M273 WeakPolarHBondContact CA-O 3.46Å; S260-M273 WeakPolarHBondContact CB-O 3.16Å; W261-M273 HydrophobicContact CD2-CB 3.77Å; W261-M273 HydrophobicContact CD2-CG 4.48Å; W261-M273 HydrophobicContact CE3-CB 4.14Å; W261-M273 HydrophobicContact CG-CB 4.38Å; W261-M273 HydrophobicContact CH2-CB 3.87Å; W261-M273 HydrophobicContact CZ2-CB 3.46Å; W261-M273 VanDerWaalsContact CZ2-CB 3.46Å; W261-M273 HydrophobicContact CZ2-CG 3.98Å; W261-M273 HydrophobicContact CZ3-CB 4.18Å; W261-M273 PolarHBondContact N-O 2.76Å; W261-M273 PolarHBondContact O-N 2.88Å; T263-M273 HydrophobicContact CG2-CG 3.5Å; T263-M273 HydrophobicContact CG2-SD 3.72Å; M273-V284 HydrophobicContact CB-CG1 4.18Å; M273-V284 HydrophobicContact CE-CG1 3.53Å; M273-E285 CarbonylContact C-O 3.5Å; M273-E285 VanDerWaalsContact CA-O 3.3Å; M273-E285 WeakPolarHBondContact CA-O 3.46Å; M273-V286 HydrophobicContact CE-CG2 3.71Å; M273-V286 HydrophobicContact SD-CG2 3.8Å
274V96.8Very high94.6Very high21 Ų2165.6 Ų65.613%0.12736%0.359CS..EExtended strand (participates in β ladder)trans-124.7135.3173.2176.80000109E259 Q276 E285 A287E259-V274 WeakPolarHBondContact O-CA 3.33Å; V274-Q276 HydrophobicContact CG1-CG 4.12Å; V274-Q276 PolarHBondContact O-N 3.44Å; V274-E285 PolarHBondContact N-O 2.78Å; V274-E285 PolarHBondContact O-N 2.96Å; V274-A287 HydrophobicContact CB-CB 4.49Å; V274-A287 HydrophobicContact CG2-CB 3.47Å; V274-A287 VanDerWaalsContact CG2-CB 3.47Å
275C96.6Very high94.7Very high0 Ų061.2 Ų61.20%034%0.341CS..EExtended strand (participates in β ladder)trans-80109.6169.7-170.30000109.3C244 F255 G256 G258 E259 W261C244-C275 HydrophobicContact CB-CB 3.71Å; C244-C275 WeakPolarHBondContact CB-SG 3.19Å; C244-C275 PolarHBondContact N-SG 2.94Å; C244-C275 WeakPolarHBondContact SG-CA 3.27Å; C244-C275 WeakPolarHBondContact SG-CB 3.48Å; C244-C275 CovalentContact SG-SG 2.05Å; C244-C275 PolarHBondContact SG-SG 3.35Å; F255-C275 HydrophobicContact CB-CB 4.31Å; G256-C275 WeakPolarHBondContact O-CB 3.5Å; G258-C275 PolarHBondContact N-O 2.93Å; E259-C275 PolarHBondContact O-N 2.95Å; W261-C275 HydrophobicContact CZ3-CB 4.01Å
276Q96.5Very high95Very high81 Ų8159 Ų5938%0.37933%0.327SS..EExtended strand (participates in β ladder)trans-102.4152.3176.4-64.2-158.712.700111.3V274 V282 S283 E285V274-Q276 HydrophobicContact CG1-CG 4.12Å; V274-Q276 PolarHBondContact O-N 3.44Å; Q276-V282 WeakPolarHBondContact O-CA 3.36Å; Q276-S283 PolarHBondContact N-O 2.71Å; Q276-S283 PolarHBondContact O-N 2.76Å; Q276-S283 VanDerWaalsContact O-O 3.13Å; Q276-E285 HydrophobicContact CG-CB 4.43Å; Q276-E285 HydrophobicContact CG-CG 4.27Å; Q276-E285 VanDerWaalsContact NE2-CD 3.31Å; Q276-E285 PolarHBondContact NE2-OE2 2.83Å; Q276-E285 PolarHBondContact OE1-OE1 2.97Å; Q276-E285 PolarHBondContact OE1-OE2 2.76Å
277G96Very high95.3Very high29 Ų2954.9 Ų54.930%0.29931%0.305SS..EExtended strand (participates in β ladder)trans131.4-156.4169.700000114.5H281G277-H281 CarbonylContact C-O 3.59Å; G277-H281 VanDerWaalsContact CA-O 3.24Å; G277-H281 WeakPolarHBondContact CA-O 3.03Å
278N96.9Very high95.7Very high67 Ų6753.4 Ų53.436%0.35828%0.278SS..  trans-158.2-167.9-178.263.636.3000110.7F241 F257 K280 H281F241-N278 WeakPolarHBondContact CB-O 3.3Å; F257-N278 WeakPolarHBondContact CZ-O 3.44Å; N278-K280 PolarHBondContact O-N 3.48Å; N278-K280 WeakPolarHBondContact OD1-CB 3.5Å; N278-K280 PolarHBondContact OD1-N 3.43Å; N278-H281 VanDerWaalsContact CG-CE1 3.45Å; N278-H281 PolarHBondContact N-O 2.96Å; N278-H281 PolarHBondContact ND2-CE1 3.32Å; N278-H281 PolarHBondContact ND2-ND1 3.13Å; N278-H281 PolarHBondContact O-N 3.16Å; N278-H281 PolarHBondContact OD1-N 2.96Å; N278-H281 PolarHBondContact OD1-ND1 3Å; N278-H281 VanDerWaalsContact OD1-ND1 3.16Å
279E96.8Very high96Very high83 Ų8352 Ų5239%0.38827%0.268SS..SBendtrans-59.2-16.5-178.3-67.8-165.1165.400115.4K231 V240 F241K231-E279 IonicContact NZ-OE1 3.96Å; K231-E279 PolarHBondContact NZ-OE1 2.87Å; K231-E279 IonicContact NZ-OE2 3.39Å; K231-E279 PolarHBondContact NZ-OE2 2.98Å; V240-E279 HydrophobicContact CB-CB 3.81Å; V240-E279 HydrophobicContact CB-CG 4.13Å; V240-E279 HydrophobicContact CG1-CB 3.97Å; V240-E279 HydrophobicContact CG1-CG 4.5Å; V240-E279 HydrophobicContact CG2-CB 4.42Å; V240-E279 HydrophobicContact CG2-CG 4.18Å; F241-E279 PolarHBondContact N-O 2.85Å
280K96.5Very high96.1Very high187 Ų18750.7 Ų50.781%0.81326%0.261SS*.SBendtrans-106.1-28.5-177.3-61.6-176.7-179.9179.90114.1F241 N278F241-K280 WeakPolarHBondContact CE2-O 3.44Å; N278-K280 PolarHBondContact O-N 3.48Å; N278-K280 WeakPolarHBondContact OD1-CB 3.5Å; N278-K280 PolarHBondContact OD1-N 3.43Å
281H96.3Very high96.1Very high104 Ų10449.9 Ų49.948%0.48126%0.255SS..  trans-144.6146.7-178.764.3-92.6000110.4G277 N278G277-H281 CarbonylContact C-O 3.59Å; G277-H281 VanDerWaalsContact CA-O 3.24Å; G277-H281 WeakPolarHBondContact CA-O 3.03Å; N278-H281 VanDerWaalsContact CG-CE1 3.45Å; N278-H281 PolarHBondContact N-O 2.96Å; N278-H281 PolarHBondContact ND2-CE1 3.32Å; N278-H281 PolarHBondContact ND2-ND1 3.13Å; N278-H281 PolarHBondContact O-N 3.16Å; N278-H281 PolarHBondContact OD1-N 2.96Å; N278-H281 PolarHBondContact OD1-ND1 3Å; N278-H281 VanDerWaalsContact OD1-ND1 3.16Å
282V96.3Very high95.9Very high23 Ų2352.1 Ų52.114%0.13927%0.271CS..EExtended strand (participates in β ladder)trans-138.2138.1176.261.10000109.1F226 F241 C244 F257 Q276F226-V282 HydrophobicContact CD1-CB 4.37Å; F226-V282 HydrophobicContact CD1-CG1 3.29Å; F226-V282 HydrophobicContact CD1-CG2 4.14Å; F226-V282 HydrophobicContact CE1-CG1 3.53Å; F226-V282 HydrophobicContact CE1-CG2 4.43Å; F226-V282 HydrophobicContact CG-CG1 3.94Å; F226-V282 HydrophobicContact CZ-CG1 4.33Å; F241-V282 HydrophobicContact CB-CB 4.3Å; F241-V282 HydrophobicContact CB-CG1 4.41Å; F241-V282 HydrophobicContact CD1-CB 4.08Å; F241-V282 HydrophobicContact CD1-CG1 3.29Å; F241-V282 HydrophobicContact CD2-CG1 4.21Å; F241-V282 HydrophobicContact CE1-CG1 3.37Å; F241-V282 HydrophobicContact CE2-CG1 4.28Å; F241-V282 HydrophobicContact CG-CB 4.08Å; F241-V282 HydrophobicContact CG-CG1 3.73Å; F241-V282 HydrophobicContact CZ-CG1 3.89Å; C244-V282 VanDerWaalsContact SG-CG2 3.52Å; F257-V282 HydrophobicContact CE1-CB 4.24Å; F257-V282 HydrophobicContact CE1-CG2 4.04Å; Q276-V282 WeakPolarHBondContact O-CA 3.36Å
283S94.7Very high95.5Very high41 Ų4151.6 Ų51.629%0.28727%0.273SS..EExtended strand (participates in β ladder)trans-138.4155.3173.6580000110.1Q276Q276-S283 PolarHBondContact N-O 2.71Å; Q276-S283 PolarHBondContact O-N 2.76Å; Q276-S283 VanDerWaalsContact O-O 3.13Å
284V94.1Very high95Very high67 Ų6756 Ų5641%0.40630%0.297SS..EExtended strand (participates in β ladder)trans-112.1121.8172.4175.20000107.3C244 W261 M273C244-V284 HydrophobicContact CB-CG2 4.15Å; W261-V284 HydrophobicContact CH2-CB 4.26Å; W261-V284 HydrophobicContact CH2-CG1 3.47Å; W261-V284 VanDerWaalsContact CH2-CG1 3.47Å; W261-V284 HydrophobicContact CH2-CG2 3.84Å; W261-V284 HydrophobicContact CZ2-CG1 3.57Å; W261-V284 HydrophobicContact CZ2-CG2 4.39Å; M273-V284 HydrophobicContact CB-CG1 4.18Å; M273-V284 HydrophobicContact CE-CG1 3.53Å
285E94.4Very high94.3Very high84 Ų8459.3 Ų59.339%0.39331%0.311SS..EExtended strand (participates in β ladder)trans-121.2146.5-176.4-63.5-170.2-173.600111.4M273 V274 Q276 A287M273-E285 CarbonylContact C-O 3.5Å; M273-E285 VanDerWaalsContact CA-O 3.3Å; M273-E285 WeakPolarHBondContact CA-O 3.46Å; V274-E285 PolarHBondContact N-O 2.78Å; V274-E285 PolarHBondContact O-N 2.96Å; Q276-E285 HydrophobicContact CG-CB 4.43Å; Q276-E285 HydrophobicContact CG-CG 4.27Å; Q276-E285 VanDerWaalsContact NE2-CD 3.31Å; Q276-E285 PolarHBondContact NE2-OE2 2.83Å; Q276-E285 PolarHBondContact OE1-OE1 2.97Å; Q276-E285 PolarHBondContact OE1-OE2 2.76Å; E285-A287 PolarHBondContact O-N 3.4Å
286V96.4Very high94Very high34 Ų3460.8 Ų60.821%0.20633%0.326CS..EExtended strand (participates in β ladder)trans-77.8118.9169.8179.30000107.5Y271 M273 V302 I324Y271-V286 HydrophobicContact CD1-CG1 3.72Å; Y271-V286 HydrophobicContact CD1-CG2 4.38Å; Y271-V286 HydrophobicContact CG-CG1 4.43Å; M273-V286 HydrophobicContact CE-CG2 3.71Å; M273-V286 HydrophobicContact SD-CG2 3.8Å; V286-V302 HydrophobicContact CB-CG2 4.32Å; V286-V302 HydrophobicContact CG1-CG2 3.99Å; V286-V302 WeakPolarHBondContact O-CG2 3.44Å; V286-I324 HydrophobicContact CB-CB 4.01Å; V286-I324 HydrophobicContact CB-CG1 3.97Å; V286-I324 HydrophobicContact CB-CG2 4.2Å; V286-I324 HydrophobicContact CG1-CB 4.22Å; V286-I324 HydrophobicContact CG1-CG2 3.88Å; V286-I324 HydrophobicContact CG2-CB 4.03Å; V286-I324 HydrophobicContact CG2-CG1 4.27Å
287A95.9Very high93.8Very high33 Ų3363.6 Ų63.627%0.27333%0.333SS..EExtended strand (participates in β ladder)trans-91-40.8173.600000111.7R272 V274 E285 V302R272-A287 PolarHBondContact O-N 2.8Å; V274-A287 HydrophobicContact CB-CB 4.49Å; V274-A287 HydrophobicContact CG2-CB 3.47Å; V274-A287 VanDerWaalsContact CG2-CB 3.47Å; E285-A287 PolarHBondContact O-N 3.4Å; A287-V302 PolarHBondContact O-N 2.89Å
288E97.3Very high93.7Very high44 Ų4464.7 Ų64.721%0.20633%0.33CS..EExtended strand (participates in β ladder)trans-140.7145.3-177.8-60.7158.3-169.600111.2Y271 R272 V299 L300Y271-E288 WeakPolarHBondContact CA-O 3.04Å; R272-E288 HydrophobicContact CB-CB 3.94Å; R272-E288 WeakPolarHBondContact CD-OE2 3.42Å; R272-E288 IonicContact CZ-OE1 3.87Å; R272-E288 PolarHBondContact N-O 2.95Å; R272-E288 IonicContact NH1-OE1 2.71Å; R272-E288 PolarHBondContact NH1-OE1 2.04Å; R272-E288 IonicContact NH1-OE2 3.11Å; R272-E288 PolarHBondContact O-N 2.91Å; E288-V299 HydrophobicContact CB-CG1 3.72Å; E288-V299 HydrophobicContact CG-CG1 3.88Å; E288-V299 VanDerWaalsContact OE2-CG1 3.27Å; E288-V299 WeakPolarHBondContact OE2-CG1 3.37Å; E288-L300 CarbonylContact C-O 3.58Å; E288-L300 WeakPolarHBondContact CA-O 3.46Å
289C97Very high93.7Very high0 Ų064 Ų640%033%0.328CS..EExtended strand (participates in β ladder)trans-96.8142.4163.1-55.10000109.5Y271 V299 L300 F314 C316 A326Y271-C289 HydrophobicContact CD1-CB 4.43Å; Y271-C289 HydrophobicContact CE1-CB 4.49Å; C289-V299 WeakPolarHBondContact O-CA 3.5Å; C289-L300 PolarHBondContact N-O 3.46Å; C289-L300 PolarHBondContact O-N 3.47Å; C289-F314 HydrophobicContact CB-CE1 4.49Å; C289-F314 HydrophobicContact CB-CE2 4.21Å; C289-F314 HydrophobicContact CB-CZ 3.61Å; C289-C316 HydrophobicContact CB-CB 3.47Å; C289-C316 VanDerWaalsContact CB-CB 3.47Å; C289-C316 WeakPolarHBondContact CB-SG 3.48Å; C289-C316 PolarHBondContact N-SG 2.76Å; C289-C316 VanDerWaalsContact N-SG 3.38Å; C289-C316 WeakPolarHBondContact SG-CA 3.2Å; C289-C316 WeakPolarHBondContact SG-CB 3.29Å; C289-C316 CovalentContact SG-SG 2.03Å; C289-C316 PolarHBondContact SG-SG 3.22Å; C289-A326 HydrophobicContact CB-CB 3.75Å
290I96.3Very high93.5Very high4 Ų460.5 Ų60.52%0.02131%0.312CS..EExtended strand (participates in β ladder)trans-128.1126.3-175.3-54.7160000108.6Y262 L269 S270 R272 R297 K298 V299Y262-I290 HydrophobicContact CD1-CD1 3.3Å; Y262-I290 HydrophobicContact CE1-CD1 3.35Å; L269-I290 CarbonylContact C-O 3.5Å; L269-I290 WeakPolarHBondContact CA-O 3.47Å; S270-I290 PolarHBondContact N-O 3.29Å; S270-I290 PolarHBondContact O-N 3.07Å; R272-I290 HydrophobicContact CB-CD1 4.27Å; I290-R297 HydrophobicContact CG2-CG 3.97Å; I290-K298 WeakPolarHBondContact CA-O 3.04Å; I290-V299 HydrophobicContact CG1-CG1 4.29Å; I290-V299 HydrophobicContact CG1-CG2 4.24Å; I290-V299 HydrophobicContact CG2-CG2 4.35Å
291A94.9Very high93.5Very high0 Ų053.9 Ų53.90%029%0.292CS..EExtended strand (participates in β ladder)trans-108.4130.2169.200000109.2S268 L269 R297 K298 Y308 F314 L328S268-A291 WeakPolarHBondContact O-CA 3.49Å; L269-A291 HydrophobicContact CD2-CB 3.88Å; A291-R297 CarbonylContact O-C 3.53Å; A291-R297 WeakPolarHBondContact O-CA 3.45Å; A291-K298 PolarHBondContact N-O 3Å; A291-K298 PolarHBondContact O-N 3.46Å; A291-Y308 HydrophobicContact CB-CD2 4.03Å; A291-Y308 HydrophobicContact CB-CE2 3.67Å; A291-F314 HydrophobicContact CB-CD1 3.98Å; A291-F314 HydrophobicContact CB-CD2 4.04Å; A291-F314 HydrophobicContact CB-CE1 3.85Å; A291-F314 HydrophobicContact CB-CE2 3.94Å; A291-F314 HydrophobicContact CB-CG 4.09Å; A291-F314 HydrophobicContact CB-CZ 3.84Å; A291-L328 HydrophobicContact CB-CD1 4.29Å
292N91.4Very high93.3Very high99 Ų9951.2 Ų51.253%0.52928%0.283SS..EExtended strand (participates in β ladder)trans-133.597.8177.2-167.615.9000109.8S268S268-N292 WeakPolarHBondContact CB-O 3.35Å; S268-N292 PolarHBondContact O-N 2.85Å
293L87.5Confident93.1Very high56 Ų5651.6 Ų51.629%0.29329%0.291SS..EExtended strand (participates in β ladder)trans-131.9-166.9-179.9-71.1169000111.1S268 Q295 G296 Y308 L328S268-L293 WeakPolarHBondContact OG-CD2 3.39Å; S268-L293 WeakPolarHBondContact OG-CG 3.41Å; L293-Q295 PolarHBondContact O-N 2.82Å; L293-Q295 VanDerWaalsContact O-N 3.13Å; L293-G296 PolarHBondContact O-N 3.02Å; L293-Y308 WeakPolarHBondContact CA-OH 3.39Å; L293-Y308 HydrophobicContact CB-CE1 3.89Å; L293-Y308 VanDerWaalsContact CB-OH 3.27Å; L293-Y308 WeakPolarHBondContact CB-OH 3.4Å; L293-Y308 HydrophobicContact CD1-CE1 4.01Å; L293-Y308 HydrophobicContact CG-CE1 4.48Å; L293-Y308 PolarHBondContact N-OH 2.86Å; L293-L328 HydrophobicContact CD1-CD1 3.32Å; L293-L328 HydrophobicContact CG-CD1 4.39Å
294D86.1Confident92.9Very high120 Ų12053.1 Ų53.164%0.64229%0.294SS*.THydrogen-bonded Turntrans-42.8-36.5175.155.3-23000115R312D294-R312 IonicContact OD1-NH1 2.62Å
295Q83.4Confident92.7Very high89 Ų8950 Ų5042%0.41628%0.275SS..THydrogen-bonded Turntrans-93.39.1-179.2-64.3163-7.100113.9L293 Y308 G309L293-Q295 PolarHBondContact O-N 2.82Å; L293-Q295 VanDerWaalsContact O-N 3.13Å; Q295-Y308 HydrophobicContact CB-CE1 4.07Å; Q295-Y308 VanDerWaalsContact OE1-C 3.22Å; Q295-Y308 PolarHBondContact OE1-O 2.85Å; Q295-G309 VanDerWaalsContact CD-CA 3.4Å
296G89.6Confident92.4Very high31 Ų3147.2 Ų47.232%0.3226%0.263SS..EExtended strand (participates in β ladder)trans97-168.9175.300000114.8L293 Y308L293-G296 PolarHBondContact O-N 3.02Å; G296-Y308 PolarHBondContact O-OH 2.83Å
297R92.9Very high92Very high140 Ų14048.9 Ų48.953%0.52827%0.267SS..EExtended strand (participates in β ladder)trans-87.5124.8-176-174.6-178.3176.5-144.7-0.2111.2Y262 I290 A291 V299Y262-R297 PolarHBondContact OH-NH2 3.13Å; I290-R297 HydrophobicContact CG2-CG 3.97Å; A291-R297 CarbonylContact O-C 3.53Å; A291-R297 WeakPolarHBondContact O-CA 3.45Å; R297-V299 HydrophobicContact CG-CG2 4.28Å
298K93.8Very high91.6Very high53 Ų5347.7 Ų47.723%0.2326%0.256CS..EExtended strand (participates in β ladder)trans-116.9138.5169.3-166.973.2173.6-171.90109.9I290 A291 D306 Y308 F314I290-K298 WeakPolarHBondContact CA-O 3.04Å; A291-K298 PolarHBondContact N-O 3Å; A291-K298 PolarHBondContact O-N 3.46Å; K298-D306 WeakPolarHBondContact CE-OD2 3.09Å; K298-D306 IonicContact NZ-OD2 2.86Å; K298-D306 PolarHBondContact NZ-OD2 3.4Å; K298-Y308 HydrophobicContact CB-CD2 3.59Å; K298-Y308 HydrophobicContact CB-CE2 3.53Å; K298-Y308 HydrophobicContact CG-CD2 4.14Å; K298-F314 HydrophobicContact CB-CD1 4.16Å; K298-F314 HydrophobicContact CG-CD1 3.88Å; K298-F314 HydrophobicContact CG-CE1 4.47Å
299V95.1Very high91Very high52 Ų5246.9 Ų46.932%0.31526%0.26SS..EExtended strand (participates in β ladder)trans-126.2132180-175.40000108.1E288 C289 I290 R297E288-V299 HydrophobicContact CB-CG1 3.72Å; E288-V299 HydrophobicContact CG-CG1 3.88Å; E288-V299 VanDerWaalsContact OE2-CG1 3.27Å; E288-V299 WeakPolarHBondContact OE2-CG1 3.37Å; C289-V299 WeakPolarHBondContact O-CA 3.5Å; I290-V299 HydrophobicContact CG1-CG1 4.29Å; I290-V299 HydrophobicContact CG1-CG2 4.24Å; I290-V299 HydrophobicContact CG2-CG2 4.35Å; R297-V299 HydrophobicContact CG-CG2 4.28Å
300L94.7Very high90.3Very high9 Ų952.3 Ų52.35%0.04729%0.288CS..EExtended strand (participates in β ladder)trans-127.7134.2177.1-66.6179.6000109.8E288 C289 D306 F314 C316E288-L300 CarbonylContact C-O 3.58Å; E288-L300 WeakPolarHBondContact CA-O 3.46Å; C289-L300 PolarHBondContact N-O 3.46Å; C289-L300 PolarHBondContact O-N 3.47Å; L300-D306 HydrophobicContact CD2-CB 3.74Å; L300-F314 HydrophobicContact CB-CD1 4.41Å; L300-F314 HydrophobicContact CB-CE1 4.05Å; L300-F314 HydrophobicContact CD1-CB 4.08Å; L300-F314 HydrophobicContact CD1-CD1 3.23Å; L300-F314 HydrophobicContact CD1-CD2 4.45Å; L300-F314 HydrophobicContact CD1-CE1 3.68Å; L300-F314 HydrophobicContact CD1-CG 3.66Å; L300-F314 HydrophobicContact CD1-CZ 4.43Å; L300-F314 VanDerWaalsContact CD1-O 3.24Å; L300-F314 WeakPolarHBondContact CD1-O 3.45Å; L300-F314 HydrophobicContact CG-CD1 3.52Å; L300-F314 HydrophobicContact CG-CE1 3.63Å; L300-F314 HydrophobicContact CG-CG 4.43Å; L300-C316 HydrophobicContact CB-CB 3.91Å
301A94.5Very high89.7Confident49 Ų4954.8 Ų54.841%0.40530%0.302SS..EExtended strand (participates in β ladder)trans-65.4153.6165.500000110.2G303 H304A301-G303 PolarHBondContact O-N 2.91Å; A301-H304 WeakPolarHBondContact O-CB 3.38Å; A301-H304 PolarHBondContact O-N 2.84Å; A301-H304 PolarHBondContact O-ND1 3.44Å
302V93.3Very high89.4Confident47 Ų4757.8 Ų57.829%0.28531%0.313SS..THydrogen-bonded Turntrans-56.4136.7173.4-179.30000110.6V286 A287 H304 I324V286-V302 HydrophobicContact CB-CG2 4.32Å; V286-V302 HydrophobicContact CG1-CG2 3.99Å; V286-V302 WeakPolarHBondContact O-CG2 3.44Å; A287-V302 PolarHBondContact O-N 2.89Å; V302-H304 PolarHBondContact O-ND1 2.93Å; V302-I324 HydrophobicContact CG1-CD1 3.53Å; V302-I324 HydrophobicContact CG1-CG1 4.1Å; V302-I324 HydrophobicContact CG1-CG2 4.26Å; V302-I324 HydrophobicContact CG2-CG1 4.29Å; V302-I324 HydrophobicContact CG2-CG2 3.96Å
303G91.2Very high89.3Confident31 Ų3153 Ų5332%0.3229%0.288SS..THydrogen-bonded Turntrans92.8-2.6-177.500000115A301 C316A301-G303 PolarHBondContact O-N 2.91Å; G303-C316 PolarHBondContact N-O 3.29Å
304H91.2Very high89.5Confident74 Ų7450.4 Ų50.434%0.34327%0.274SS..EExtended strand (participates in β ladder)trans-112.1157.3-175.4-61.873.9000112.6A301 V302 C316A301-H304 WeakPolarHBondContact O-CB 3.38Å; A301-H304 PolarHBondContact O-N 2.84Å; A301-H304 PolarHBondContact O-ND1 3.44Å; V302-H304 PolarHBondContact O-ND1 2.93Å; H304-C316 PolarHBondContact O-N 2.9Å
305C89Confident89.8Confident0 Ų044.9 Ų44.90%025%0.245CC..EExtended strand (participates in β ladder)trans-135.7155.6167.246.10000109.8M313 F314 T315 C349 P350C305-M313 HydrophobicContact CB-CE 4.24Å; C305-F314 CarbonylContact C-O 3.51Å; C305-F314 WeakPolarHBondContact CA-O 3.25Å; C305-F314 WeakPolarHBondContact CB-O 3.29Å; C305-T315 HydrophobicContact CB-CG2 3.77Å; C305-C349 HydrophobicContact CB-CB 3.99Å; C305-C349 WeakPolarHBondContact CB-SG 3.48Å; C305-C349 PolarHBondContact N-SG 3.18Å; C305-C349 VanDerWaalsContact SG-C 3.54Å; C305-C349 WeakPolarHBondContact SG-CB 3.31Å; C305-C349 CovalentContact SG-SG 2.02Å; C305-C349 PolarHBondContact SG-SG 2.83Å; C305-P350 PolarHBondContact SG-O 2.9Å
306D89.1Confident90.3Very high26 Ų2640.6 Ų40.614%0.13923%0.225CC..EExtended strand (participates in β ladder)trans-154.2160174.8-161.7-6.8000109.4K298 L300 F314K298-D306 WeakPolarHBondContact CE-OD2 3.09Å; K298-D306 IonicContact NZ-OD2 2.86Å; K298-D306 PolarHBondContact NZ-OD2 3.4Å; L300-D306 HydrophobicContact CD2-CB 3.74Å; D306-F314 PolarHBondContact N-O 2.77Å; D306-F314 PolarHBondContact O-N 2.84Å
307K86.9Confident90.4Very high69 Ų6940.1 Ų40.130%0.321%0.214SC..EExtended strand (participates in β ladder)trans-63.8137.3173.5-153-169.4-177-158.20109.6G309 D310 M313K307-G309 WeakPolarHBondContact CD-O 3.36Å; K307-G309 WeakPolarHBondContact CE-O 3.38Å; K307-G309 WeakPolarHBondContact CG-O 3.48Å; K307-G309 PolarHBondContact NZ-O 2.82Å; K307-D310 IonicContact NZ-OD1 2.75Å; K307-D310 PolarHBondContact NZ-OD1 2.91Å; K307-M313 HydrophobicContact CB-SD 4.14Å; K307-M313 HydrophobicContact CG-SD 4.21Å
308Y87.6Confident90.3Very high8 Ų840 Ų403%0.03122%0.218CC..EExtended strand (participates in β ladder)trans-119.390.3172.5-166.6-82.3000107.4A291 L293 Q295 G296 K298 R312 F314 L328A291-Y308 HydrophobicContact CB-CD2 4.03Å; A291-Y308 HydrophobicContact CB-CE2 3.67Å; L293-Y308 WeakPolarHBondContact CA-OH 3.39Å; L293-Y308 HydrophobicContact CB-CE1 3.89Å; L293-Y308 VanDerWaalsContact CB-OH 3.27Å; L293-Y308 WeakPolarHBondContact CB-OH 3.4Å; L293-Y308 HydrophobicContact CD1-CE1 4.01Å; L293-Y308 HydrophobicContact CG-CE1 4.48Å; L293-Y308 PolarHBondContact N-OH 2.86Å; Q295-Y308 HydrophobicContact CB-CE1 4.07Å; Q295-Y308 VanDerWaalsContact OE1-C 3.22Å; Q295-Y308 PolarHBondContact OE1-O 2.85Å; G296-Y308 PolarHBondContact O-OH 2.83Å; K298-Y308 HydrophobicContact CB-CD2 3.59Å; K298-Y308 HydrophobicContact CB-CE2 3.53Å; K298-Y308 HydrophobicContact CG-CD2 4.14Å; Y308-R312 PolarHBondContact N-O 3.07Å; Y308-R312 WeakPolarHBondContact O-CB 3.49Å; Y308-F314 HydrophobicContact CD2-CB 4.31Å; Y308-F314 HydrophobicContact CG-CB 4.49Å; Y308-L328 HydrophobicContact CD1-CD2 3.91Å; Y308-L328 HydrophobicContact CD2-CD2 4.18Å; Y308-L328 HydrophobicContact CG-CD2 3.67Å
309G84.9Confident89.9Confident28 Ų2840.5 Ų40.529%0.28922%0.221SC..THydrogen-bonded Turntrans79.3-146.8-173.200000113.8Q295 K307Q295-G309 VanDerWaalsContact CD-CA 3.4Å; K307-G309 WeakPolarHBondContact CD-O 3.36Å; K307-G309 WeakPolarHBondContact CE-O 3.38Å; K307-G309 WeakPolarHBondContact CG-O 3.48Å; K307-G309 PolarHBondContact NZ-O 2.82Å
310D82.6Confident89.4Confident113 Ų11346.7 Ų46.760%0.60425%0.246SC*.THydrogen-bonded Turntrans-100.3-23.5-179.7-71-38.3000114.6K307K307-D310 IonicContact NZ-OD1 2.75Å; K307-D310 PolarHBondContact NZ-OD1 2.91Å
311D85.1Confident89Confident57 Ų5750.5 Ų50.531%0.30527%0.274SS..THydrogen-bonded Turntrans-113.8-4.8-169.166.4-41.3000113.3T330 I331D311-T330 CarbonylContact O-C 3.57Å; D311-T330 WeakPolarHBondContact O-CA 3.3Å; D311-T330 WeakPolarHBondContact O-CG2 3.49Å; D311-I331 PolarHBondContact O-N 3.06Å
312R88.2Confident88.6Confident62 Ų6249.9 Ų49.923%0.23427%0.272CS..EExtended strand (participates in β ladder)trans-134.4152-174.5-57.6169.2-158.1163.15.4113.7D294 Y308 L328 T329D294-R312 IonicContact OD1-NH1 2.62Å; Y308-R312 PolarHBondContact N-O 3.07Å; Y308-R312 WeakPolarHBondContact O-CB 3.49Å; R312-L328 HydrophobicContact CB-CD2 4.47Å; R312-T329 CarbonylContact C-O 3.46Å; R312-T329 VanDerWaalsContact CA-O 3.25Å; R312-T329 WeakPolarHBondContact CA-O 3.26Å
313M87.7Confident88.4Confident0 Ų049.9 Ų49.90%028%0.277CS..EExtended strand (participates in β ladder)trans-110.2130.9166.1-72.9-62-62.800109.8C305 K307 L328 T329 I331 L336 F341 M351C305-M313 HydrophobicContact CB-CE 4.24Å; K307-M313 HydrophobicContact CB-SD 4.14Å; K307-M313 HydrophobicContact CG-SD 4.21Å; M313-L328 WeakPolarHBondContact O-CA 3.49Å; M313-T329 PolarHBondContact N-O 3.44Å; M313-T329 PolarHBondContact O-N 3.33Å; M313-I331 HydrophobicContact CB-CG2 4.05Å; M313-I331 HydrophobicContact CG-CB 4.39Å; M313-I331 HydrophobicContact CG-CD1 3.89Å; M313-I331 HydrophobicContact CG-CG1 4.25Å; M313-I331 HydrophobicContact CG-CG2 3.35Å; M313-I331 HydrophobicContact SD-CD1 4.13Å; M313-L336 HydrophobicContact SD-CD2 4.44Å; M313-F341 HydrophobicContact CB-CD1 4.25Å; M313-F341 HydrophobicContact CB-CE1 3.89Å; M313-F341 HydrophobicContact CB-CE2 4.47Å; M313-F341 HydrophobicContact CB-CZ 4.01Å; M313-F341 HydrophobicContact CE-CB 4Å; M313-F341 HydrophobicContact CE-CD1 4.23Å; M313-F341 HydrophobicContact CE-CG 4.02Å; M313-F341 HydrophobicContact CG-CD1 4.19Å; M313-F341 HydrophobicContact CG-CD2 3.94Å; M313-F341 HydrophobicContact CG-CE1 4.07Å; M313-F341 HydrophobicContact CG-CE2 3.85Å; M313-F341 HydrophobicContact CG-CG 4.12Å; M313-F341 HydrophobicContact CG-CZ 3.9Å; M313-M351 HydrophobicContact CE-CG 4.4Å; M313-M351 HydrophobicContact CE-SD 3.87Å
314F92.1Very high88.5Confident0 Ų050.1 Ų50.10%027%0.271CS..EExtended strand (participates in β ladder)trans-97.9128.1170.2-179.2-144000109.2L269 C289 A291 K298 L300 C305 D306 Y308 A326 R327 L328L269-F314 HydrophobicContact CD2-CD2 4.5Å; L269-F314 HydrophobicContact CD2-CE2 3.9Å; C289-F314 HydrophobicContact CB-CE1 4.49Å; C289-F314 HydrophobicContact CB-CE2 4.21Å; C289-F314 HydrophobicContact CB-CZ 3.61Å; A291-F314 HydrophobicContact CB-CD1 3.98Å; A291-F314 HydrophobicContact CB-CD2 4.04Å; A291-F314 HydrophobicContact CB-CE1 3.85Å; A291-F314 HydrophobicContact CB-CE2 3.94Å; A291-F314 HydrophobicContact CB-CG 4.09Å; A291-F314 HydrophobicContact CB-CZ 3.84Å; K298-F314 HydrophobicContact CB-CD1 4.16Å; K298-F314 HydrophobicContact CG-CD1 3.88Å; K298-F314 HydrophobicContact CG-CE1 4.47Å; L300-F314 HydrophobicContact CB-CD1 4.41Å; L300-F314 HydrophobicContact CB-CE1 4.05Å; L300-F314 HydrophobicContact CD1-CB 4.08Å; L300-F314 HydrophobicContact CD1-CD1 3.23Å; L300-F314 HydrophobicContact CD1-CD2 4.45Å; L300-F314 HydrophobicContact CD1-CE1 3.68Å; L300-F314 HydrophobicContact CD1-CG 3.66Å; L300-F314 HydrophobicContact CD1-CZ 4.43Å; L300-F314 VanDerWaalsContact CD1-O 3.24Å; L300-F314 WeakPolarHBondContact CD1-O 3.45Å; L300-F314 HydrophobicContact CG-CD1 3.52Å; L300-F314 HydrophobicContact CG-CE1 3.63Å; L300-F314 HydrophobicContact CG-CG 4.43Å; C305-F314 CarbonylContact C-O 3.51Å; C305-F314 WeakPolarHBondContact CA-O 3.25Å; C305-F314 WeakPolarHBondContact CB-O 3.29Å; D306-F314 PolarHBondContact N-O 2.77Å; D306-F314 PolarHBondContact O-N 2.84Å; Y308-F314 HydrophobicContact CD2-CB 4.31Å; Y308-F314 HydrophobicContact CG-CB 4.49Å; F314-A326 HydrophobicContact CE2-CB 4.08Å; F314-R327 WeakPolarHBondContact CA-O 2.89Å; F314-R327 WeakPolarHBondContact CD2-O 3.46Å; F314-L328 HydrophobicContact CB-CD2 3.87Å; F314-L328 HydrophobicContact CD2-CD2 4.21Å; F314-L328 HydrophobicContact CD2-CG 4.25Å; F314-L328 HydrophobicContact CG-CD2 4.32Å
315T92.1Very high88.5Confident4 Ų449.2 Ų49.23%0.02527%0.268CS..EExtended strand (participates in β ladder)trans-126143179.670.20000110.8C305 A326 R327 F341 T343C305-T315 HydrophobicContact CB-CG2 3.77Å; T315-A326 CarbonylContact O-C 3.58Å; T315-A326 VanDerWaalsContact O-CA 3.3Å; T315-A326 WeakPolarHBondContact O-CA 3.21Å; T315-R327 PolarHBondContact N-O 3.11Å; T315-R327 PolarHBondContact O-N 3.43Å; T315-F341 HydrophobicContact CG2-CD1 4.45Å; T315-F341 HydrophobicContact CG2-CE1 4.38Å; T315-T343 HydrophobicContact CG2-CG2 4.19Å
316C94.7Very high88.7Confident0 Ų049.6 Ų49.60%027%0.272CS..EExtended strand (participates in β ladder)trans-12882.3174.6-172.50000109C289 L300 G303 H304C289-C316 HydrophobicContact CB-CB 3.47Å; C289-C316 VanDerWaalsContact CB-CB 3.47Å; C289-C316 WeakPolarHBondContact CB-SG 3.48Å; C289-C316 PolarHBondContact N-SG 2.76Å; C289-C316 VanDerWaalsContact N-SG 3.38Å; C289-C316 WeakPolarHBondContact SG-CA 3.2Å; C289-C316 WeakPolarHBondContact SG-CB 3.29Å; C289-C316 CovalentContact SG-SG 2.03Å; C289-C316 PolarHBondContact SG-SG 3.22Å; L300-C316 HydrophobicContact CB-CB 3.91Å; G303-C316 PolarHBondContact N-O 3.29Å; H304-C316 PolarHBondContact O-N 2.9Å
317L92.2Very high88.8Confident20 Ų2052.6 Ų52.611%0.10528%0.281CS..EExtended strand (participates in β ladder)trans-122.4150-166.4-61.2176.2000112.4L325 T343 C349L317-L325 PolarHBondContact N-O 2.92Å; L317-L325 VanDerWaalsContact N-O 3.1Å; L317-L325 PolarHBondContact O-N 3.39Å; L317-T343 HydrophobicContact CD1-CG2 4.19Å; L317-C349 HydrophobicContact CD1-CB 3.96Å; L317-C349 HydrophobicContact CD2-CB 4.39Å
318K90.3Very high88.8Confident137 Ų13751.4 Ų51.460%0.59628%0.278SS*.EExtended strand (participates in β ladder)trans-77.8120.3172.2-171.5170.6-176.7177.80109.2G322 I324K318-G322 WeakPolarHBondContact CE-O 3.02Å; K318-I324 HydrophobicContact CB-CD1 3.59Å; K318-I324 HydrophobicContact CD-CD1 4.33Å; K318-I324 HydrophobicContact CG-CD1 3.82Å
319H86.4Confident88.8Confident64 Ų6452 Ų5230%0.29628%0.282SS..  trans-74.8163.5174.2-171.3-105.7000111.2S321 G322 A323 L325H319-S321 PolarHBondContact ND1-N 3.32Å; H319-S321 PolarHBondContact ND1-OG 3.41Å; H319-S321 PolarHBondContact O-N 3.04Å; H319-G322 WeakPolarHBondContact O-CA 3.44Å; H319-G322 PolarHBondContact O-N 2.68Å; H319-A323 WeakPolarHBondContact CB-O 3.24Å; H319-A323 PolarHBondContact N-O 2.95Å; H319-L325 HydrophobicContact CB-CD1 3.78Å; H319-L325 HydrophobicContact CB-CG 4.15Å
320E83.1Confident88.8Confident182 Ų18255.3 Ų55.385%0.8530%0.297SS*.THydrogen-bonded Turntrans-56.8-32178.3-64.1-172.8164.100113G322E320-G322 PolarHBondContact O-N 3.09Å
321S86.8Confident88.4Confident90 Ų9050.9 Ų50.963%0.62927%0.273SS*.THydrogen-bonded Turntrans-69.2-6.3174.360.80000114.1H319 A323H319-S321 PolarHBondContact ND1-N 3.32Å; H319-S321 PolarHBondContact ND1-OG 3.41Å; H319-S321 PolarHBondContact O-N 3.04Å; S321-A323 VanDerWaalsContact C-N 3.29Å; S321-A323 PolarHBondContact O-N 2.95Å
322G85.9Confident87.6Confident36 Ų3655.4 Ų55.437%0.37129%0.292SS..SBendtrans86.2-9.1-174.800000114.7K318 H319 E320K318-G322 WeakPolarHBondContact CE-O 3.02Å; H319-G322 WeakPolarHBondContact O-CA 3.44Å; H319-G322 PolarHBondContact O-N 2.68Å; E320-G322 PolarHBondContact O-N 3.09Å
323A89.5Confident86.1Confident47 Ų4760 Ų6039%0.38832%0.316SS..  trans-70.6143.3176.200000111.4H319 S321H319-A323 WeakPolarHBondContact CB-O 3.24Å; H319-A323 PolarHBondContact N-O 2.95Å; S321-A323 VanDerWaalsContact C-N 3.29Å; S321-A323 PolarHBondContact O-N 2.95Å
324I92.8Very high84.6Confident35 Ų3569.1 Ų69.118%0.17936%0.359CS..EExtended strand (participates in β ladder)trans-85.5128.4170.4-55-48.3000108.8V286 V302 K318V286-I324 HydrophobicContact CB-CB 4.01Å; V286-I324 HydrophobicContact CB-CG1 3.97Å; V286-I324 HydrophobicContact CB-CG2 4.2Å; V286-I324 HydrophobicContact CG1-CB 4.22Å; V286-I324 HydrophobicContact CG1-CG2 3.88Å; V286-I324 HydrophobicContact CG2-CB 4.03Å; V286-I324 HydrophobicContact CG2-CG1 4.27Å; V302-I324 HydrophobicContact CG1-CD1 3.53Å; V302-I324 HydrophobicContact CG1-CG1 4.1Å; V302-I324 HydrophobicContact CG1-CG2 4.26Å; V302-I324 HydrophobicContact CG2-CG1 4.29Å; V302-I324 HydrophobicContact CG2-CG2 3.96Å; K318-I324 HydrophobicContact CB-CD1 3.59Å; K318-I324 HydrophobicContact CD-CD1 4.33Å; K318-I324 HydrophobicContact CG-CD1 3.82Å
325L91.1Very high82.7Confident56 Ų5674.4 Ų74.429%0.29339%0.386SS..EExtended strand (participates in β ladder)trans-118.7122.8178.8-64.6179.2000110.3L317 H319L317-L325 PolarHBondContact N-O 2.92Å; L317-L325 VanDerWaalsContact N-O 3.1Å; L317-L325 PolarHBondContact O-N 3.39Å; H319-L325 HydrophobicContact CB-CD1 3.78Å; H319-L325 HydrophobicContact CB-CG 4.15Å
326A93.1Very high80.9Confident8 Ų877.2 Ų77.27%0.06640%0.4CS..EExtended strand (participates in β ladder)trans-82.4129.6163.400000109.1L269 Y271 C289 F314 T315L269-A326 HydrophobicContact CB-CB 4.46Å; L269-A326 HydrophobicContact CD1-CB 4.06Å; L269-A326 WeakPolarHBondContact CD1-O 3.12Å; L269-A326 HydrophobicContact CD2-CB 4.34Å; Y271-A326 HydrophobicContact CE1-CB 3.61Å; Y271-A326 WeakPolarHBondContact OH-CB 3.5Å; Y271-A326 PolarHBondContact OH-N 3.4Å; C289-A326 HydrophobicContact CB-CB 3.75Å; F314-A326 HydrophobicContact CE2-CB 4.08Å; T315-A326 CarbonylContact O-C 3.58Å; T315-A326 VanDerWaalsContact O-CA 3.3Å; T315-A326 WeakPolarHBondContact O-CA 3.21Å
327R90.9Very high79.1Confident88 Ų8883.4 Ų83.433%0.33243%0.433SS..EExtended strand (participates in β ladder)trans-138.5143.4174.1-66.2-173.2-176.3174.86112.3F314 T315 D345F314-R327 WeakPolarHBondContact CA-O 2.89Å; F314-R327 WeakPolarHBondContact CD2-O 3.46Å; T315-R327 PolarHBondContact N-O 3.11Å; T315-R327 PolarHBondContact O-N 3.43Å; R327-D345 IonicContact CZ-OD2 2.78Å; R327-D345 IonicContact NH1-OD2 3.75Å; R327-D345 PolarHBondContact NH1-OD2 3.35Å; R327-D345 IonicContact NH2-OD2 2.63Å; R327-D345 PolarHBondContact NH2-OD2 2.96Å
328L88.7Confident77.5Confident45 Ų4588 Ų8824%0.23646%0.462CS..EExtended strand (participates in β ladder)trans-109.3118.1165.8-77.5160.4000107.9L269 A291 L293 Y308 R312 M313 F314L269-L328 HydrophobicContact CD2-CD1 3.93Å; L269-L328 HydrophobicContact CD2-CG 4.27Å; A291-L328 HydrophobicContact CB-CD1 4.29Å; L293-L328 HydrophobicContact CD1-CD1 3.32Å; L293-L328 HydrophobicContact CG-CD1 4.39Å; Y308-L328 HydrophobicContact CD1-CD2 3.91Å; Y308-L328 HydrophobicContact CD2-CD2 4.18Å; Y308-L328 HydrophobicContact CG-CD2 3.67Å; R312-L328 HydrophobicContact CB-CD2 4.47Å; M313-L328 WeakPolarHBondContact O-CA 3.49Å; F314-L328 HydrophobicContact CB-CD2 3.87Å; F314-L328 HydrophobicContact CD2-CD2 4.21Å; F314-L328 HydrophobicContact CD2-CG 4.25Å; F314-L328 HydrophobicContact CG-CD2 4.32Å
329T86.9Confident76.1Confident19 Ų1989 Ų8912%0.11747%0.466CS..EExtended strand (participates in β ladder)trans-119.6129.9-177.7-53.80000109.2R312 M313 I344R312-T329 CarbonylContact C-O 3.46Å; R312-T329 VanDerWaalsContact CA-O 3.25Å; R312-T329 WeakPolarHBondContact CA-O 3.26Å; M313-T329 PolarHBondContact N-O 3.44Å; M313-T329 PolarHBondContact O-N 3.33Å; T329-I344 HydrophobicContact CG2-CD1 3.57Å; T329-I344 HydrophobicContact CG2-CG1 3.97Å
330T84.1Confident74.9Confident99 Ų9992.9 Ų92.961%0.60748%0.482SS*.EExtended strand (participates in β ladder)trans-66.2136173.6-47.80000110.2D311D311-T330 CarbonylContact O-C 3.57Å; D311-T330 WeakPolarHBondContact O-CA 3.3Å; D311-T330 WeakPolarHBondContact O-CG2 3.49Å
331I75.6Confident74.2Confident20 Ų2084.8 Ų84.810%0.10345%0.445CS..  trans-116.8141.3178.251.6162.7000111.6D311 M313 L336 F341D311-I331 PolarHBondContact O-N 3.06Å; M313-I331 HydrophobicContact CB-CG2 4.05Å; M313-I331 HydrophobicContact CG-CB 4.39Å; M313-I331 HydrophobicContact CG-CD1 3.89Å; M313-I331 HydrophobicContact CG-CG1 4.25Å; M313-I331 HydrophobicContact CG-CG2 3.35Å; M313-I331 HydrophobicContact SD-CD1 4.13Å; I331-L336 HydrophobicContact CD1-CD1 4.05Å; I331-L336 HydrophobicContact CD1-CD2 4.09Å; I331-L336 HydrophobicContact CD1-CG 4.22Å; I331-F341 HydrophobicContact CG2-CD2 4.32Å; I331-F341 HydrophobicContact CG2-CE2 3.39Å; I331-F341 HydrophobicContact CG2-CZ 3.72Å
332H67.5Low73.1Confident151 Ų15184 Ų8470%0.69944%0.436SS*.  trans-88.1132.4164.1-67.6-67.9000108.6E334 I335H332-E334 PolarHBondContact O-N 3.02Å; H332-I335 PolarHBondContact O-N 2.94Å
333Q56.8Low72Confident158 Ų15882.9 Ų82.974%0.73842%0.422SS*.G310 helixtrans-52.3-24.1-172.2-89.1176.4-31.500114.6I335Q333-I335 VanDerWaalsContact C-N 3.26Å; Q333-I335 PolarHBondContact O-N 3.31Å
334E55.1Low70.7Confident193 Ų19387.6 Ų87.690%0.90244%0.439SS*.G310 helixtrans-70.1-12.3-175.4-65.3178.8173.400114.8H332H332-E334 PolarHBondContact O-N 3.02Å
335I54.1Low69.1Low111 Ų11190.3 Ų90.357%0.56945%0.454SS*.G310 helixtrans-104.93-171.7-53.6175.3000113H332 Q333 D337H332-I335 PolarHBondContact O-N 2.94Å; Q333-I335 VanDerWaalsContact C-N 3.26Å; Q333-I335 PolarHBondContact O-N 3.31Å; I335-D337 VanDerWaalsContact C-N 3.28Å; I335-D337 PolarHBondContact O-N 3.07Å
336L53.6Low67.9Low63 Ų6390.2 Ų90.233%0.3347%0.467SS..  trans-78.874.8177.9-73.8165.4000111.2M313 I331 V338M313-L336 HydrophobicContact SD-CD2 4.44Å; I331-L336 HydrophobicContact CD1-CD1 4.05Å; I331-L336 HydrophobicContact CD1-CD2 4.09Å; I331-L336 HydrophobicContact CD1-CG 4.22Å; L336-V338 PolarHBondContact O-N 3.17Å
337D56.2Low66.6Low129 Ų12992.7 Ų92.769%0.6948%0.477SS*.  trans-72.4124.3159.6-160.3-4.8000108.1I335 K339 K340I335-D337 VanDerWaalsContact C-N 3.28Å; I335-D337 PolarHBondContact O-N 3.07Å; D337-K339 PolarHBondContact O-N 2.86Å; D337-K340 PolarHBondContact O-N 2.81Å
338V59.1Low65.6Low118 Ų11891.8 Ų91.872%0.71549%0.488SS*.THydrogen-bonded Turntrans-62.3-8.8-152.5-174.80000114.3L336 M351L336-V338 PolarHBondContact O-N 3.17Å; V338-M351 VanDerWaalsContact O-CE 3.25Å; V338-M351 WeakPolarHBondContact O-CE 3.24Å
339K61.2Low64.8Low157 Ų15789.7 Ų89.768%0.68348%0.477SS*.THydrogen-bonded Turntrans-117.7-19.3-174.4-66-173.2175.9-175.70115.6D337D337-K339 PolarHBondContact O-N 2.86Å
340K61.6Low64Low145 Ų14592.3 Ų92.363%0.6349%0.494SS*.EExtended strand (participates in β ladder)trans-147.9130.3-173.6-67.4-175-178178.70111D337D337-K340 PolarHBondContact O-N 2.81Å
341F66.7Low63.1Low13 Ų1389.4 Ų89.46%0.05748%0.475CS..EExtended strand (participates in β ladder)trans-105.9134.3170.2175-107.5000109.4M313 T315 I331 T343 C349M313-F341 HydrophobicContact CB-CD1 4.25Å; M313-F341 HydrophobicContact CB-CE1 3.89Å; M313-F341 HydrophobicContact CB-CE2 4.47Å; M313-F341 HydrophobicContact CB-CZ 4.01Å; M313-F341 HydrophobicContact CE-CB 4Å; M313-F341 HydrophobicContact CE-CD1 4.23Å; M313-F341 HydrophobicContact CE-CG 4.02Å; M313-F341 HydrophobicContact CG-CD1 4.19Å; M313-F341 HydrophobicContact CG-CD2 3.94Å; M313-F341 HydrophobicContact CG-CE1 4.07Å; M313-F341 HydrophobicContact CG-CE2 3.85Å; M313-F341 HydrophobicContact CG-CG 4.12Å; M313-F341 HydrophobicContact CG-CZ 3.9Å; T315-F341 HydrophobicContact CG2-CD1 4.45Å; T315-F341 HydrophobicContact CG2-CE1 4.38Å; I331-F341 HydrophobicContact CG2-CD2 4.32Å; I331-F341 HydrophobicContact CG2-CE2 3.39Å; I331-F341 HydrophobicContact CG2-CZ 3.72Å; F341-T343 HydrophobicContact CD1-CG2 4.29Å; F341-T343 HydrophobicContact CE1-CG2 3.97Å; F341-C349 PolarHBondContact N-O 3.48Å; F341-C349 VanDerWaalsContact N-O 3.16Å; F341-C349 PolarHBondContact O-N 3Å
342T65.3Low62.5Low74 Ų7491.5 Ų91.545%0.45449%0.491SS..EExtended strand (participates in β ladder)trans-103.2121.5171.7-54.50000108.4Q347T342-Q347 WeakPolarHBondContact CA-O 3.05Å
343T63.2Low62.1Low12 Ų1291.5 Ų91.57%0.07450%0.496CS..  trans-65.6166.9176.267.70000111.2T315 L317 F341 D345 G346 Q347T315-T343 HydrophobicContact CG2-CG2 4.19Å; L317-T343 HydrophobicContact CD1-CG2 4.19Å; F341-T343 HydrophobicContact CD1-CG2 4.29Å; F341-T343 HydrophobicContact CE1-CG2 3.97Å; T343-D345 PolarHBondContact O-N 2.67Å; T343-D345 VanDerWaalsContact O-N 3.07Å; T343-D345 PolarHBondContact OG1-N 2.86Å; T343-G346 PolarHBondContact O-N 3.45Å; T343-Q347 HydrophobicContact CG2-CB 4.34Å; T343-Q347 PolarHBondContact N-O 3.24Å; T343-Q347 WeakPolarHBondContact OG1-CB 3.27Å; T343-Q347 PolarHBondContact OG1-N 2.83Å
344I60.9Low61.5Low146 Ų14695.7 Ų95.775%0.74951%0.512SS*.THydrogen-bonded Turntrans-54.2-28.3174.1-64.1171.1000111.8T329 G346T329-I344 HydrophobicContact CG2-CD1 3.57Å; T329-I344 HydrophobicContact CG2-CG1 3.97Å; I344-G346 VanDerWaalsContact C-N 3.28Å; I344-G346 PolarHBondContact O-N 2.95Å
345D59.9Low61.8Low92 Ų9290.9 Ų90.949%0.49249%0.492SS..THydrogen-bonded Turntrans-86.88.7178.5-58-20.4000113.1R327 T343 Q347R327-D345 IonicContact CZ-OD2 2.78Å; R327-D345 IonicContact NH1-OD2 3.75Å; R327-D345 PolarHBondContact NH1-OD2 3.35Å; R327-D345 IonicContact NH2-OD2 2.63Å; R327-D345 PolarHBondContact NH2-OD2 2.96Å; T343-D345 PolarHBondContact O-N 2.67Å; T343-D345 VanDerWaalsContact O-N 3.07Å; T343-D345 PolarHBondContact OG1-N 2.86Å; D345-Q347 VanDerWaalsContact C-N 3.33Å; D345-Q347 PolarHBondContact O-N 2.74Å
346G65.5Low62.2Low54 Ų5489.8 Ų89.856%0.55749%0.488SS*.  trans798.2179.500000115.1T343 I344 A348T343-G346 PolarHBondContact O-N 3.45Å; I344-G346 VanDerWaalsContact C-N 3.28Å; I344-G346 PolarHBondContact O-N 2.95Å; G346-A348 PolarHBondContact O-N 3.11Å
347Q66Low62.7Low59 Ų5991.3 Ų91.328%0.27650%0.497SS..  trans-78.5114.8178.1-66-172-22.200110.6T342 T343 D345 C349T342-Q347 WeakPolarHBondContact CA-O 3.05Å; T343-Q347 HydrophobicContact CG2-CB 4.34Å; T343-Q347 PolarHBondContact N-O 3.24Å; T343-Q347 WeakPolarHBondContact OG1-CB 3.27Å; T343-Q347 PolarHBondContact OG1-N 2.83Å; D345-Q347 VanDerWaalsContact C-N 3.33Å; D345-Q347 PolarHBondContact O-N 2.74Å; Q347-C349 PolarHBondContact O-N 2.81Å
348A70.1Confident63.1Low70 Ų7089.1 Ų89.158%0.57949%0.486SS*.EExtended strand (participates in β ladder)trans-70.7125.9170.500000109.9G346G346-A348 PolarHBondContact O-N 3.11Å
349C70.7Confident63.3Low1 Ų187.3 Ų87.31%0.00747%0.472CS..EExtended strand (participates in β ladder)trans-122.2129.1180176.20000111C305 L317 F341 Q347 M351C305-C349 HydrophobicContact CB-CB 3.99Å; C305-C349 WeakPolarHBondContact CB-SG 3.48Å; C305-C349 PolarHBondContact N-SG 3.18Å; C305-C349 VanDerWaalsContact SG-C 3.54Å; C305-C349 WeakPolarHBondContact SG-CB 3.31Å; C305-C349 CovalentContact SG-SG 2.02Å; C305-C349 PolarHBondContact SG-SG 2.83Å; L317-C349 HydrophobicContact CD1-CB 3.96Å; L317-C349 HydrophobicContact CD2-CB 4.39Å; F341-C349 PolarHBondContact N-O 3.48Å; F341-C349 VanDerWaalsContact N-O 3.16Å; F341-C349 PolarHBondContact O-N 3Å; Q347-C349 PolarHBondContact O-N 2.81Å; C349-M351 PolarHBondContact O-N 3.21Å
350P70.4Confident63.4Low73 Ų7382.6 Ų82.647%0.47446%0.457SS..EExtended strand (participates in β ladder)trans-69.9124.4173.629.1-31.6000109.5C305C305-P350 PolarHBondContact SG-O 2.9Å
351M66Low63.6Low39 Ų3978.1 Ų78.119%0.19245%0.445CS..BIsolated β-bridgetrans-74137.9167.8-63.5-156.2-68.700108.4M313 V338 C349 D353M313-M351 HydrophobicContact CE-CG 4.4Å; M313-M351 HydrophobicContact CE-SD 3.87Å; V338-M351 VanDerWaalsContact O-CE 3.25Å; V338-M351 WeakPolarHBondContact O-CE 3.24Å; C349-M351 PolarHBondContact O-N 3.21Å; M351-D353 PolarHBondContact O-N 2.69Å
352S61.9Low63.3Low63 Ų6383.2 Ų83.244%0.44148%0.475SS..PPolyproline II helixtrans-62.4126174.5-169.20000109K354S352-K354 PolarHBondContact O-N 2.68Å
353D59Low63.2Low151 Ų15183.9 Ų83.981%0.80748%0.477SS*.PPolyproline II helixtrans-58.7124.8166.6-74.5-30.7000107.3M351M351-D353 PolarHBondContact O-N 2.69Å
354K44.6Very low63.2Low247 Ų24790.5 Ų90.5100%1.07451%0.513SS*.  trans-87.60169-91.9-170.2179.9178.40110.5S352S352-K354 PolarHBondContact O-N 2.68Å

Retrieved 354 of 354 residues in 483.8 ms (Link to these results)