A0A077Z2J1_TRITR Loading...

WAP type 'four disulfide core

AlphaFold DB , UniProt , Accession A0A077Z2J1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 512 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
1M37.6Very low34.8Very low229 Ų229155.4 Ų155.4100%1.12881%0.808SS**  0131.20-118.4172171.700107.4F3M1-F3 PolarHBondContact O-N 3.49Å
2L35.1Very low34.6Very low178 Ų178156.3 Ų156.393%0.93281%0.814SS**  trans-48.7122.8-162.3-70.694000114.2
3F37.5Very low34.3Very low201 Ų201157.6 Ų157.688%0.88282%0.821SS**  trans-104.9111.7161-90.1-84.7000108.9M1 V5M1-F3 PolarHBondContact O-N 3.49Å; F3-V5 PolarHBondContact O-N 2.96Å
4S37.7Very low34.1Very low113 Ų113152.6 Ų152.679%0.7981%0.814SS**  trans-63.2123.2178-171.30000110.6Q6S4-Q6 PolarHBondContact O-N 3.21Å
5V37.2Very low33.7Very low121 Ų121150.3 Ų150.373%0.73382%0.815SS**  trans-81.298.7175.4175.90000108F3 L7F3-V5 PolarHBondContact O-N 2.96Å; V5-L7 HydrophobicContact CG1-CD1 3.88Å; V5-L7 PolarHBondContact O-N 3.37Å
6Q38.8Very low33.4Very low159 Ų159146.3 Ų146.374%0.74380%0.801SS**  trans-84.699.2165.6-85.1-176.3-28.500109.4S4 F8S4-Q6 PolarHBondContact O-N 3.21Å; Q6-F8 PolarHBondContact O-N 2.94Å; Q6-F8 VanDerWaalsContact O-N 3.13Å
7L32.6Very low33Very low144 Ų144148.6 Ų148.675%0.75480%0.796SS**  trans-66.799.6168-122.892.9000108.9V5 V9V5-L7 HydrophobicContact CG1-CD1 3.88Å; V5-L7 PolarHBondContact O-N 3.37Å; L7-V9 HydrophobicContact CD2-CG2 4.25Å; L7-V9 PolarHBondContact O-N 3.35Å
8F35Very low32.7Very low163 Ų163143.1 Ų143.172%0.71577%0.769SS**  trans-78.194.6164.5-94.7-89.4000108.9Q6 F10Q6-F8 PolarHBondContact O-N 2.94Å; Q6-F8 VanDerWaalsContact O-N 3.13Å; F8-F10 HydrophobicContact CB-CD2 4.35Å; F8-F10 HydrophobicContact CB-CE2 4.42Å; F8-F10 PolarHBondContact O-N 3.45Å; F8-F10 VanDerWaalsContact O-N 3.08Å
9V32.2Very low32.4Very low114 Ų114141.3 Ų141.369%0.69176%0.764SS**  trans-72.793.5166.7178.10000107.6L7 C11L7-V9 HydrophobicContact CD2-CG2 4.25Å; L7-V9 PolarHBondContact O-N 3.35Å; V9-C11 PolarHBondContact O-N 3.38Å
10F30.9Very low32Very low175 Ų175141.2 Ų141.277%0.76876%0.761SS**  trans-68.7107.7168-95.3-90.8000109F8 L12F8-F10 HydrophobicContact CB-CD2 4.35Å; F8-F10 HydrophobicContact CB-CE2 4.42Å; F8-F10 PolarHBondContact O-N 3.45Å; F8-F10 VanDerWaalsContact O-N 3.08Å; F10-L12 PolarHBondContact O-N 2.85Å
11C28.3Very low31.8Very low112 Ų112136.6 Ų136.676%0.75774%0.743SS**  trans-62.5100.2165.1-81.20000109.2V9 L13V9-C11 PolarHBondContact O-N 3.38Å; C11-L13 PolarHBondContact O-N 3.4Å; C11-L13 VanDerWaalsContact O-N 3.11Å
12L32.3Very low31.1Very low167 Ų167136.9 Ų136.987%0.87473%0.731SS**  trans-67.1101.8162.7-79.9158000108.1F10 A14F10-L12 PolarHBondContact O-N 2.85Å; L12-A14 PolarHBondContact O-N 2.89Å
13L31.2Very low30.8Very low173 Ų173131.4 Ų131.491%0.90671%0.708SS**  trans-64.689.4162.8-76.1161.9000107.9C11 S15C11-L13 PolarHBondContact O-N 3.4Å; C11-L13 VanDerWaalsContact O-N 3.11Å; L13-S15 PolarHBondContact O-N 2.79Å; L13-S15 VanDerWaalsContact O-N 3.12Å
14A30.9Very low30.2Very low88 Ų88130.1 Ų130.173%0.72770%0.702SS**  trans-65.2107.7168.200000108.5L12 S16L12-A14 PolarHBondContact O-N 2.89Å; A14-S16 VanDerWaalsContact C-N 3.26Å; A14-S16 PolarHBondContact O-N 2.72Å
15S29Very low30Very low117 Ų117127.7 Ų127.782%0.81868%0.682SS**  trans-62.990.916458.30000108.2L13 R17L13-S15 PolarHBondContact O-N 2.79Å; L13-S15 VanDerWaalsContact O-N 3.12Å; S15-R17 PolarHBondContact O-N 2.76Å; S15-R17 VanDerWaalsContact O-N 3.12Å
16S28Very low29.4Very low86 Ų86127.1 Ų127.160%0.60168%0.675SS**  trans-72.1103.617746.60000108.8A14A14-S16 VanDerWaalsContact C-N 3.26Å; A14-S16 PolarHBondContact O-N 2.72Å
17R26.3Very low28.9Very low187 Ų187126.1 Ų126.171%0.70667%0.674SS**  trans-62.2137.3158.9-72.4-175.4176.6-170.7-2.1107.8S15 T19S15-R17 PolarHBondContact O-N 2.76Å; S15-R17 VanDerWaalsContact O-N 3.12Å; R17-T19 PolarHBondContact O-N 2.86Å; R17-T19 VanDerWaalsContact O-N 3.15Å
18P29Very low28.6Very low48 Ų48123.2 Ų123.231%0.31267%0.667SS.*  trans-63.2120-179.822.4-29.6000110I20 I262P18-I20 PolarHBondContact O-N 2.85Å; P18-I262 HydrophobicContact CB-CD1 4Å; P18-I262 HydrophobicContact CB-CG1 4.45Å; P18-I262 HydrophobicContact CG-CG1 4.48Å
19T25.8Very low28.3Very low110 Ų110119.6 Ų119.668%0.67568%0.675SS**  trans-70.7112.9175.2-210000108.4R17 A21R17-T19 PolarHBondContact O-N 2.86Å; R17-T19 VanDerWaalsContact O-N 3.15Å; T19-A21 VanDerWaalsContact C-N 3.26Å; T19-A21 PolarHBondContact O-N 2.9Å
20I25.8Very low28.3Very low138 Ų138119.5 Ų119.571%0.70867%0.67SS**  trans-70.389.5166.5-59.8172.7000106.7P18 R22P18-I20 PolarHBondContact O-N 2.85Å; I20-R22 PolarHBondContact O-N 3.06Å
21A26.1Very low29Very low46 Ų46114 Ų11438%0.3865%0.654SS.*  trans-74.2105172.900000108.6T19 S23T19-A21 VanDerWaalsContact C-N 3.26Å; T19-A21 PolarHBondContact O-N 2.9Å; A21-S23 PolarHBondContact O-N 2.88Å
22R23.7Very low30.5Very low235 Ų235115.7 Ų115.789%0.88766%0.655SS**  trans-7377.3161.5-76.2-177.5176.8170.4-1.5108.2I20 K24I20-R22 PolarHBondContact O-N 3.06Å; R22-K24 PolarHBondContact O-N 3.46Å
23S28Very low32.5Very low62 Ų62111 Ų11143%0.43463%0.628SS.*  trans-76.6111.4166.6166.40000107.7A21 V25A21-S23 PolarHBondContact O-N 2.88Å; S23-V25 PolarHBondContact O-N 3.19Å
24K25.9Very low35Very low175 Ų175104.5 Ų104.576%0.76159%0.594SS**  trans-78.9107.1162.8-158.6-178.7-176.4-169.90105.2R22 D26R22-K24 PolarHBondContact O-N 3.46Å; K24-D26 VanDerWaalsContact C-N 3.3Å; K24-D26 PolarHBondContact O-N 2.84Å
25V33.1Very low37.5Very low62 Ų62102.9 Ų102.938%0.37658%0.575SS.*  trans-76.188.6177.7-177.70000107.5S23 R53S23-V25 PolarHBondContact O-N 3.19Å; V25-R53 PolarHBondContact O-NH1 2.85Å
26D25.1Very low40.1Very low109 Ų10997.4 Ų97.458%0.58354%0.537SS*.  trans-74.5139.8170.6-79.2-29.1000109.8K24 S28K24-D26 VanDerWaalsContact C-N 3.3Å; K24-D26 PolarHBondContact O-N 2.84Å; D26-S28 PolarHBondContact O-N 3.44Å
27N28.5Very low42.9Very low137 Ų13798 Ų9873%0.73353%0.53SS*.  trans-79.841.6-173.6-124.922.6000111.8R53N27-R53 PolarHBondContact OD1-NH1 2.85Å
28S25.6Very low45.6Very low84 Ų8493 Ų9359%0.58752%0.517SS*.  trans-87.8130.5169.353.30000108.8D26 D30D26-S28 PolarHBondContact O-N 3.44Å; S28-D30 PolarHBondContact O-N 2.88Å
29G28.3Very low48.2Very low86 Ų8692.6 Ų92.689%0.88752%0.516SS*.SBendtrans-63.926.1-176.500000116.6
30D32.4Very low51.2Low112 Ų11288.2 Ų88.260%0.59949%0.489SS*.SBendtrans-90.3114.4164.4-126.8-9.3000107.5S28 D32S28-D30 PolarHBondContact O-N 2.88Å; D30-D32 PolarHBondContact O-N 3.45Å
31S46.1Very low54.3Low61 Ų6183.8 Ų83.843%0.42746%0.464SS..  trans-7178.2-17754.70000110.3F33S31-F33 VanDerWaalsContact O-CD2 3.25Å; S31-F33 WeakPolarHBondContact O-CD2 3.42Å; S31-F33 PolarHBondContact O-N 3.14Å
32D60.2Low57.3Low147 Ų14783.6 Ų83.679%0.78646%0.457SS*.  trans-70.796.4170.4-86.1-14.3000108.7D30 L34D30-D32 PolarHBondContact O-N 3.45Å; D32-L34 PolarHBondContact O-N 2.77Å
33F73.1Confident60.6Low67 Ų6772.8 Ų72.829%0.29442%0.417SS..  trans-71.7124.5173-72.9-91.8000109.9S31 T35 D56 L58 M141S31-F33 VanDerWaalsContact O-CD2 3.25Å; S31-F33 WeakPolarHBondContact O-CD2 3.42Å; S31-F33 PolarHBondContact O-N 3.14Å; F33-T35 PolarHBondContact O-N 3.06Å; F33-D56 HydrophobicContact CD1-CB 3.78Å; F33-D56 HydrophobicContact CE1-CB 3.83Å; F33-D56 HydrophobicContact CG-CB 4.5Å; F33-L58 HydrophobicContact CB-CB 4.35Å; F33-M141 HydrophobicContact CE1-CG 4.36Å; F33-M141 HydrophobicContact CE1-SD 4.3Å; F33-M141 HydrophobicContact CZ-SD 4.38Å
34L83.8Confident63.6Low37 Ų3774.1 Ų74.119%0.19442%0.419CS..EExtended strand (participates in β ladder)trans-67.2115.2166.5178.669.8000109.3D32 L36 K41 L43 D56 F57 L58 L160D32-L34 PolarHBondContact O-N 2.77Å; L34-L36 HydrophobicContact CD2-CD2 3.97Å; L34-L36 HydrophobicContact CG-CD2 4.23Å; L34-K41 HydrophobicContact CD1-CG 4.43Å; L34-K41 HydrophobicContact CD2-CB 4.02Å; L34-K41 HydrophobicContact CD2-CG 4.23Å; L34-L43 HydrophobicContact CD2-CD1 3.68Å; L34-L43 HydrophobicContact CD2-CD2 4.25Å; L34-L43 HydrophobicContact CD2-CG 4.18Å; L34-D56 PolarHBondContact N-O 3.47Å; L34-F57 HydrophobicContact CB-CB 4.16Å; L34-F57 CarbonylContact O-C 3.5Å; L34-F57 WeakPolarHBondContact O-CA 2.99Å; L34-F57 VanDerWaalsContact O-CB 3.29Å; L34-F57 WeakPolarHBondContact O-CB 3.33Å; L34-L58 PolarHBondContact O-N 3.33Å; L34-L160 HydrophobicContact CD2-CD1 4.03Å
35T83.7Confident66.7Low54 Ų5466.3 Ų66.333%0.33139%0.386SS..EExtended strand (participates in β ladder)trans-84.6122.1177.5-59.10000110.7F33 V60F33-T35 PolarHBondContact O-N 3.06Å; T35-V60 HydrophobicContact CG2-CG2 3.33Å
36L84.1Confident69.4Low2 Ų268.5 Ų68.51%0.0139%0.392CS..EExtended strand (participates in β ladder)trans-94.7114.3179.8-60.4-179.3000110.8L34 K41 F57 L58 L59 V60 F66 L160L34-L36 HydrophobicContact CD2-CD2 3.97Å; L34-L36 HydrophobicContact CG-CD2 4.23Å; L36-K41 HydrophobicContact CD2-CB 4.05Å; L36-K41 HydrophobicContact CD2-CG 3.68Å; L36-F57 HydrophobicContact CD1-CB 4.37Å; L36-F57 HydrophobicContact CD1-CD2 3.54Å; L36-F57 HydrophobicContact CD1-CE2 4.13Å; L36-F57 HydrophobicContact CD1-CG 4.16Å; L36-F57 HydrophobicContact CG-CB 4.37Å; L36-F57 HydrophobicContact CG-CD2 4.33Å; L36-L58 PolarHBondContact N-O 2.95Å; L36-L59 HydrophobicContact CD1-CD1 4.29Å; L36-V60 WeakPolarHBondContact O-CB 3.22Å; L36-V60 VanDerWaalsContact O-CG2 3.24Å; L36-V60 WeakPolarHBondContact O-CG2 3.25Å; L36-V60 PolarHBondContact O-N 2.78Å; L36-F66 HydrophobicContact CD1-CE2 3.96Å; L36-L160 HydrophobicContact CD1-CB 3.96Å; L36-L160 HydrophobicContact CD1-CD1 4.2Å; L36-L160 HydrophobicContact CD2-CB 3.71Å; L36-L160 HydrophobicContact CD2-CD1 4.08Å
37H86.2Confident72.4Confident99 Ų9963.3 Ų63.346%0.45836%0.364SS..  trans-99.9-171.7169.9-62.1-92.6000110S39 I162H37-S39 PolarHBondContact O-N 3.39Å; H37-I162 WeakPolarHBondContact O-CD1 3.31Å; H37-I162 VanDerWaalsContact O-CG1 3.24Å; H37-I162 WeakPolarHBondContact O-CG1 3.42Å
38D82.4Confident75.1Confident82 Ų8259.2 Ų59.244%0.43934%0.342SS..SBendtrans-64.4-21.5-179.4-68.24.4000113Q61 K163D38-Q61 PolarHBondContact OD1-NE2 2.88Å; D38-K163 VanDerWaalsContact CG-NZ 3.34Å; D38-K163 WeakPolarHBondContact OD1-CE 3.41Å; D38-K163 IonicContact OD1-NZ 3.79Å; D38-K163 PolarHBondContact OD1-NZ 2.78Å; D38-K163 VanDerWaalsContact OD1-NZ 3.14Å; D38-K163 IonicContact OD2-NZ 2.86Å; D38-K163 PolarHBondContact OD2-NZ 2.79Å
39S84.2Confident77.8Confident40 Ų4060.7 Ų60.728%0.2834%0.34SS..SBendtrans-81.8133.7172.8-51.10000111.5H37H37-S39 PolarHBondContact O-N 3.39Å
40P89Confident80.1Confident18 Ų1859.8 Ų59.812%0.11733%0.331CS..  trans-63.1149.5178.224.4-30.5000111.7L160 A161 T261 I262P40-L160 WeakPolarHBondContact CA-O 3.5Å; P40-A161 HydrophobicContact CB-CB 4.14Å; P40-T261 WeakPolarHBondContact CB-O 3.36Å; P40-T261 WeakPolarHBondContact CG-O 3.2Å; P40-I262 HydrophobicContact CG-CD1 4.35Å; P40-I262 HydrophobicContact CG-CG1 4.37Å
41K90.3Very high82.6Confident44 Ų4458.2 Ų58.219%0.19132%0.32CS..EExtended strand (participates in β ladder)trans-112.5135.1174.8-62.5-61.4-176.3-179.90109.8L34 L36 R159 L160L34-K41 HydrophobicContact CD1-CG 4.43Å; L34-K41 HydrophobicContact CD2-CB 4.02Å; L34-K41 HydrophobicContact CD2-CG 4.23Å; L36-K41 HydrophobicContact CD2-CB 4.05Å; L36-K41 HydrophobicContact CD2-CG 3.68Å; K41-R159 CarbonylContact O-C 3.59Å; K41-R159 WeakPolarHBondContact O-CA 3.41Å; K41-L160 PolarHBondContact N-O 3.18Å; K41-L160 PolarHBondContact O-N 3.1Å
42L90.6Very high84.5Confident43 Ų4358.7 Ų58.723%0.22532%0.323CS..EExtended strand (participates in β ladder)trans-118126.6172.1-174.171.7000108.5Q157 I158 R159 I262L42-Q157 HydrophobicContact CD1-CB 4.1Å; L42-Q157 HydrophobicContact CD1-CG 4.4Å; L42-I158 CarbonylContact C-O 3.56Å; L42-I158 WeakPolarHBondContact CA-O 3.46Å; L42-R159 HydrophobicContact CD1-CB 4.04Å; L42-I262 HydrophobicContact CB-CD1 4.42Å; L42-I262 HydrophobicContact CB-CG2 4.3Å; L42-I262 HydrophobicContact CD2-CG2 3.84Å; L42-I262 HydrophobicContact CG-CG2 4.5Å
43L91.9Very high86Confident8 Ų854 Ų544%0.04229%0.294CS..EExtended strand (participates in β ladder)trans-120.2136.7178.3-60.1169.6000109L34 V45 V55 Q157 I158L34-L43 HydrophobicContact CD2-CD1 3.68Å; L34-L43 HydrophobicContact CD2-CD2 4.25Å; L34-L43 HydrophobicContact CD2-CG 4.18Å; L43-V45 HydrophobicContact CB-CG2 4.4Å; L43-V55 HydrophobicContact CD1-CG1 3.56Å; L43-V55 HydrophobicContact CD1-CG2 4.31Å; L43-Q157 CarbonylContact O-C 3.56Å; L43-Q157 VanDerWaalsContact O-CA 3.32Å; L43-Q157 WeakPolarHBondContact O-CA 3.39Å; L43-I158 HydrophobicContact CB-CB 4.34Å; L43-I158 PolarHBondContact N-O 3.28Å; L43-I158 PolarHBondContact O-N 3.03Å
44N91.1Very high86.8Confident90 Ų9053.4 Ų53.448%0.48130%0.299SS..EExtended strand (participates in β ladder)trans-96.9122.3165.9-63.5-60.1000107.8Q157N44-Q157 WeakPolarHBondContact OD1-CG 3.13Å; N44-Q157 PolarHBondContact OD1-NE2 2.86Å; N44-Q157 VanDerWaalsContact OD1-NE2 3.09Å
45V91.2Very high87.2Confident10 Ų1052 Ų526%0.06129%0.292CS..EExtended strand (participates in β ladder)trans-118.5123179.3-178.80000108.5L43 V47 R53 V55 V155 S156 I158L43-V45 HydrophobicContact CB-CG2 4.4Å; V45-V47 HydrophobicContact CG1-CG2 4.08Å; V45-R53 HydrophobicContact CG1-CB 3.76Å; V45-R53 HydrophobicContact CG1-CG 4.18Å; V45-V55 HydrophobicContact CG2-CG2 4.08Å; V45-V155 WeakPolarHBondContact O-CA 3.48Å; V45-S156 PolarHBondContact N-O 3.13Å; V45-S156 PolarHBondContact O-N 3.4Å; V45-I158 HydrophobicContact CB-CD1 4.37Å; V45-I158 HydrophobicContact CG2-CD1 3.55Å; V45-I158 HydrophobicContact CG2-CG1 4.11Å
46Q89.8Confident87.5Confident108 Ų10850.5 Ų50.551%0.50528%0.282SS..EExtended strand (participates in β ladder)trans-96.4127.8171.1-176.5176.9-29.500109.1N48 C154 V155Q46-N48 PolarHBondContact NE2-OD1 3.08Å; Q46-C154 CarbonylContact C-O 3.58Å; Q46-C154 WeakPolarHBondContact CA-O 3.39Å; Q46-V155 HydrophobicContact CB-CG2 4.34Å; Q46-V155 HydrophobicContact CG-CG2 4.24Å
47V88.2Confident87.8Confident0 Ų050.4 Ų50.40%028%0.281CS..EExtended strand (participates in β ladder)trans-117.6117.6177.9-170.50000108.1V45 E51 R53 L146 P153 C154V45-V47 HydrophobicContact CG1-CG2 4.08Å; V47-E51 WeakPolarHBondContact CG1-O 3.29Å; V47-R53 HydrophobicContact CG2-CB 4.14Å; V47-R53 HydrophobicContact CG2-CG 4.1Å; V47-L146 HydrophobicContact CG2-CB 3.92Å; V47-P153 WeakPolarHBondContact O-CA 3.43Å; V47-C154 PolarHBondContact N-O 3.43Å; V47-C154 PolarHBondContact O-N 2.56Å
48N86Confident87.9Confident52 Ų5248.3 Ų48.328%0.27827%0.273SS..  trans-79.2166.8176-57.6-45.7000110.7Q46 G50 E51Q46-N48 PolarHBondContact NE2-OD1 3.08Å; N48-G50 PolarHBondContact O-N 2.91Å; N48-E51 HydrophobicContact CB-CG 4.23Å; N48-E51 WeakPolarHBondContact CB-OE2 3.47Å; N48-E51 PolarHBondContact ND2-OE2 2.88Å; N48-E51 PolarHBondContact O-N 2.92Å; N48-E51 VanDerWaalsContact O-N 3.16Å
49Q80.9Confident88.1Confident114 Ų11444.5 Ų44.553%0.53325%0.253SS..THydrogen-bonded Turntrans-56.2128.5179-176.9-177.612.400111.4E51 N151Q49-E51 PolarHBondContact O-N 3.04Å; Q49-E51 VanDerWaalsContact O-N 3.14Å; Q49-N151 VanDerWaalsContact NE2-CG 3.27Å; Q49-N151 PolarHBondContact NE2-OD1 3.34Å
50G76.2Confident88.1Confident68 Ų6845.9 Ų45.970%0.70126%0.259SS*.THydrogen-bonded Turntrans74.4-9.6178.500000115.3N48N48-G50 PolarHBondContact O-N 2.91Å
51E85.2Confident87.8Confident79 Ų7948.3 Ų48.337%0.36927%0.269SS..  trans-84.6150.4176.1-66.3-176173.800111.2V47 N48 Q49 R53V47-E51 WeakPolarHBondContact CG1-O 3.29Å; N48-E51 HydrophobicContact CB-CG 4.23Å; N48-E51 WeakPolarHBondContact CB-OE2 3.47Å; N48-E51 PolarHBondContact ND2-OE2 2.88Å; N48-E51 PolarHBondContact O-N 2.92Å; N48-E51 VanDerWaalsContact O-N 3.16Å; Q49-E51 PolarHBondContact O-N 3.04Å; Q49-E51 VanDerWaalsContact O-N 3.14Å; E51-R53 IonicContact OE2-NE 3.55Å; E51-R53 IonicContact OE2-NH2 3.58Å
52S87.4Confident87.2Confident70 Ų7048.3 Ų48.349%0.4927%0.273SS..EExtended strand (participates in β ladder)trans-113.3137.1164.4-63.60000108.5L146S52-L146 CarbonylContact C-O 3.5Å; S52-L146 VanDerWaalsContact CA-O 3.27Å; S52-L146 WeakPolarHBondContact CA-O 3.1Å
53R90.9Very high86.8Confident48 Ų4850.7 Ų50.718%0.18129%0.29CS..EExtended strand (participates in β ladder)trans-112133172.7-69.7-65.9-176.7149.91.4109.6V25 N27 V45 V47 E51 V145 L146V25-R53 PolarHBondContact O-NH1 2.85Å; N27-R53 PolarHBondContact OD1-NH1 2.85Å; V45-R53 HydrophobicContact CG1-CB 3.76Å; V45-R53 HydrophobicContact CG1-CG 4.18Å; V47-R53 HydrophobicContact CG2-CB 4.14Å; V47-R53 HydrophobicContact CG2-CG 4.1Å; E51-R53 IonicContact OE2-NE 3.55Å; E51-R53 IonicContact OE2-NH2 3.58Å; R53-V145 CarbonylContact O-C 3.57Å; R53-V145 WeakPolarHBondContact O-CA 3.22Å; R53-L146 PolarHBondContact N-O 3.18Å; R53-L146 PolarHBondContact O-N 3.06Å
54S90.7Very high86.6Confident55 Ų5551 Ų5139%0.38529%0.293SS..EExtended strand (participates in β ladder)trans-111.3138.9175.457.10000111.1I144S54-I144 CarbonylContact C-O 3.53Å; S54-I144 WeakPolarHBondContact CA-O 3.2Å
55V91.2Very high86.5Confident9 Ų947.8 Ų47.86%0.05528%0.277CS..EExtended strand (participates in β ladder)trans-116.3111.3169.8177.80000107.7L43 V45 R143 I144 I158L43-V55 HydrophobicContact CD1-CG1 3.56Å; L43-V55 HydrophobicContact CD1-CG2 4.31Å; V45-V55 HydrophobicContact CG2-CG2 4.08Å; V55-R143 CarbonylContact O-C 3.51Å; V55-R143 WeakPolarHBondContact O-CA 3.35Å; V55-I144 PolarHBondContact N-O 2.88Å; V55-I144 PolarHBondContact O-N 2.96Å; V55-I158 HydrophobicContact CB-CD1 4.33Å; V55-I158 HydrophobicContact CG2-CD1 3.71Å
56D90.1Very high86.6Confident22 Ų2247.5 Ų47.512%0.11828%0.275CS..EExtended strand (participates in β ladder)trans-86.7136.9171.8-78.4-57.8000109.8F33 L34 R84 R143F33-D56 HydrophobicContact CD1-CB 3.78Å; F33-D56 HydrophobicContact CE1-CB 3.83Å; F33-D56 HydrophobicContact CG-CB 4.5Å; L34-D56 PolarHBondContact N-O 3.47Å; D56-R84 IonicContact OD1-CZ 3.14Å; D56-R84 IonicContact OD1-NH1 2.8Å; D56-R84 PolarHBondContact OD1-NH1 2.89Å; D56-R84 IonicContact OD2-NH1 3.99Å; D56-R143 WeakPolarHBondContact OD1-CB 3.08Å; D56-R143 IonicContact OD1-CZ 3.22Å; D56-R143 IonicContact OD1-NE 3.27Å; D56-R143 PolarHBondContact OD1-NE 2.81Å; D56-R143 IonicContact OD1-NH2 3.15Å; D56-R143 PolarHBondContact OD1-NH2 3.37Å; D56-R143 IonicContact OD2-CZ 2.79Å; D56-R143 IonicContact OD2-NE 2.77Å; D56-R143 PolarHBondContact OD2-NE 2.81Å; D56-R143 IonicContact OD2-NH2 3.45Å; D56-R143 PolarHBondContact OD2-NH2 2.79Å
57F90.2Very high86.7Confident0 Ų043.2 Ų43.20%025%0.254CS..EExtended strand (participates in β ladder)trans-140.6154.6-179.363.7-91.4000112.8L34 L36 L59 F66 L81 M141 G142 I144 L160L34-F57 HydrophobicContact CB-CB 4.16Å; L34-F57 CarbonylContact O-C 3.5Å; L34-F57 WeakPolarHBondContact O-CA 2.99Å; L34-F57 VanDerWaalsContact O-CB 3.29Å; L34-F57 WeakPolarHBondContact O-CB 3.33Å; L36-F57 HydrophobicContact CD1-CB 4.37Å; L36-F57 HydrophobicContact CD1-CD2 3.54Å; L36-F57 HydrophobicContact CD1-CE2 4.13Å; L36-F57 HydrophobicContact CD1-CG 4.16Å; L36-F57 HydrophobicContact CG-CB 4.37Å; L36-F57 HydrophobicContact CG-CD2 4.33Å; F57-L59 HydrophobicContact CD2-CD1 3.69Å; F57-L59 HydrophobicContact CE2-CD1 3.49Å; F57-L59 VanDerWaalsContact CE2-CD1 3.49Å; F57-F66 HydrophobicContact CD2-CE2 4.49Å; F57-F66 AromaticContact CE2-CE2 3.69Å; F57-F66 HydrophobicContact CE2-CE2 3.69Å; F57-F66 AromaticContact CE2-CZ 3.83Å; F57-F66 HydrophobicContact CE2-CZ 3.83Å; F57-F66 AromaticContact CZ-CE2 3.97Å; F57-F66 HydrophobicContact CZ-CE2 3.97Å; F57-F66 AromaticContact CZ-CZ 3.6Å; F57-F66 HydrophobicContact CZ-CZ 3.6Å; F57-L81 HydrophobicContact CE1-CD1 3.96Å; F57-L81 HydrophobicContact CZ-CD1 3.85Å; F57-M141 WeakPolarHBondContact O-CA 3.36Å; F57-G142 WeakPolarHBondContact CD1-O 3.22Å; F57-G142 VanDerWaalsContact CZ-CA 3.49Å; F57-G142 PolarHBondContact N-O 2.82Å; F57-G142 PolarHBondContact O-N 3.41Å; F57-I144 HydrophobicContact CE1-CD1 4.45Å; F57-I144 HydrophobicContact CE1-CG1 4.12Å; F57-L160 HydrophobicContact CB-CD1 4.25Å; F57-L160 HydrophobicContact CD1-CD1 3.99Å; F57-L160 HydrophobicContact CG-CD1 4.06Å
58L88Confident87Confident55 Ų5543.2 Ų43.229%0.28825%0.254SS..EExtended strand (participates in β ladder)trans-121.5126.1-180-174.179.7000110.3F33 L34 L36 R140 M141F33-L58 HydrophobicContact CB-CB 4.35Å; L34-L58 PolarHBondContact O-N 3.33Å; L36-L58 PolarHBondContact N-O 2.95Å; L58-R140 CarbonylContact C-O 3.57Å; L58-R140 VanDerWaalsContact CA-O 3.31Å; L58-R140 WeakPolarHBondContact CA-O 3.35Å; L58-R140 HydrophobicContact CD1-CB 4.03Å; L58-R140 WeakPolarHBondContact CD1-O 3.43Å; L58-M141 HydrophobicContact CD1-CG 3.78Å
59L86.3Confident87.3Confident2 Ų240.8 Ų40.81%0.0124%0.242CC..EExtended strand (participates in β ladder)trans-83.2120.7170.9-79.477.2000109.8L36 F57 Q61 F66 F137 R140 I162L36-L59 HydrophobicContact CD1-CD1 4.29Å; F57-L59 HydrophobicContact CD2-CD1 3.69Å; F57-L59 HydrophobicContact CE2-CD1 3.49Å; F57-L59 VanDerWaalsContact CE2-CD1 3.49Å; L59-Q61 PolarHBondContact O-N 2.77Å; L59-F66 HydrophobicContact CD1-CD2 4.46Å; L59-F66 HydrophobicContact CD2-CD2 4.32Å; L59-F137 HydrophobicContact CD1-CD1 4.05Å; L59-F137 HydrophobicContact CD1-CE1 4.12Å; L59-F137 HydrophobicContact CD2-CB 3.88Å; L59-F137 HydrophobicContact CD2-CD1 3.86Å; L59-F137 HydrophobicContact CD2-CG 4.04Å; L59-R140 PolarHBondContact N-O 3.18Å; L59-I162 HydrophobicContact CD2-CG2 3.91Å; L59-I162 HydrophobicContact CG-CG2 4.09Å
60V84Confident88Confident68 Ų6835.4 Ų35.441%0.41222%0.216SC..SBendtrans-64.2-33.9172.7176.80000111T35 L36 P62T35-V60 HydrophobicContact CG2-CG2 3.33Å; L36-V60 WeakPolarHBondContact O-CB 3.22Å; L36-V60 VanDerWaalsContact O-CG2 3.24Å; L36-V60 WeakPolarHBondContact O-CG2 3.25Å; L36-V60 PolarHBondContact O-N 2.78Å; V60-P62 WeakPolarHBondContact O-CD 3.22Å
61Q82.8Confident88.9Confident70 Ų7032.5 Ų32.533%0.32719%0.185SC..SBendtrans-117.191179.3-68.9176.243.700110.3D38 L59 S64 K163D38-Q61 PolarHBondContact OD1-NE2 2.88Å; L59-Q61 PolarHBondContact O-N 2.77Å; Q61-S64 WeakPolarHBondContact O-CB 3.42Å; Q61-S64 PolarHBondContact O-OG 3.16Å; Q61-K163 VanDerWaalsContact CD-CE 3.48Å; Q61-K163 VanDerWaalsContact CD-NZ 3.34Å
62P78.4Confident89.3Confident43 Ų4328.8 Ų28.828%0.27917%0.168SC..THydrogen-bonded Turntrans-59153.8173.724.1-31.9000110.4V60 S64 R140V60-P62 WeakPolarHBondContact O-CD 3.22Å; P62-S64 PolarHBondContact O-N 2.88Å; P62-R140 HydrophobicContact CB-CG 3.95Å; P62-R140 HydrophobicContact CG-CG 4.11Å
63T82.9Confident89.5Confident94 Ų9426.5 Ų26.558%0.57715%0.152SC*.THydrogen-bonded Turntrans690.1-178.773.80000116.7S136 F137T63-S136 WeakPolarHBondContact CA-OG 3.42Å; T63-S136 PolarHBondContact O-OG 3.09Å; T63-F137 WeakPolarHBondContact CA-O 3.48Å; T63-F137 PolarHBondContact N-O 2.82Å
64S86.7Confident89.2Confident15 Ų1526.1 Ų26.111%0.10516%0.162CC..SBendtrans-66.6160.1169.557.30000112Q61 P62 F137Q61-S64 WeakPolarHBondContact O-CB 3.42Å; Q61-S64 PolarHBondContact O-OG 3.16Å; P62-S64 PolarHBondContact O-N 2.88Å; S64-F137 PolarHBondContact O-N 2.94Å
65S90Very high89.1Confident22 Ų2223.9 Ų23.915%0.15415%0.147CC..  trans-61139.8168650000108.9T134 N135 I162 K163 E164S65-T134 CarbonylContact C-O 3.57Å; S65-T134 VanDerWaalsContact CA-O 3.28Å; S65-T134 WeakPolarHBondContact CA-O 3.4Å; S65-N135 WeakPolarHBondContact CA-O 3.49Å; S65-N135 PolarHBondContact N-O 2.86Å; S65-I162 CarbonylContact O-C 3.6Å; S65-I162 WeakPolarHBondContact O-CA 3.26Å; S65-K163 PolarHBondContact O-N 2.87Å; S65-K163 WeakPolarHBondContact OG-CA 3.44Å; S65-K163 PolarHBondContact OG-N 2.85Å; S65-E164 PolarHBondContact OG-N 3.21Å; S65-E164 PolarHBondContact OG-O 2.8Å
66F92.1Very high89Confident3 Ų326.7 Ų26.71%0.01316%0.161CC..EExtended strand (participates in β ladder)trans-133.3138.1-175.9171-96.5000109.7L36 F57 L59 A68 L81 Y132 S133 T134 F137 L160 A161 I162L36-F66 HydrophobicContact CD1-CE2 3.96Å; F57-F66 HydrophobicContact CD2-CE2 4.49Å; F57-F66 AromaticContact CE2-CE2 3.69Å; F57-F66 HydrophobicContact CE2-CE2 3.69Å; F57-F66 AromaticContact CE2-CZ 3.83Å; F57-F66 HydrophobicContact CE2-CZ 3.83Å; F57-F66 AromaticContact CZ-CE2 3.97Å; F57-F66 HydrophobicContact CZ-CE2 3.97Å; F57-F66 AromaticContact CZ-CZ 3.6Å; F57-F66 HydrophobicContact CZ-CZ 3.6Å; L59-F66 HydrophobicContact CD1-CD2 4.46Å; L59-F66 HydrophobicContact CD2-CD2 4.32Å; F66-A68 HydrophobicContact CE1-CB 3.79Å; F66-A68 HydrophobicContact CZ-CB 3.85Å; F66-L81 HydrophobicContact CE1-CD2 3.83Å; F66-Y132 HydrophobicContact CD1-CD1 4.1Å; F66-Y132 HydrophobicContact CD1-CE1 4.22Å; F66-Y132 HydrophobicContact CE1-CD1 4.14Å; F66-S133 WeakPolarHBondContact O-CA 3.31Å; F66-T134 HydrophobicContact CB-CG2 3.95Å; F66-T134 HydrophobicContact CD1-CG2 4.41Å; F66-T134 PolarHBondContact N-O 2.84Å; F66-T134 PolarHBondContact O-N 3.11Å; F66-F137 HydrophobicContact CB-CB 3.73Å; F66-F137 HydrophobicContact CB-CD2 4.1Å; F66-F137 HydrophobicContact CB-CG 4.22Å; F66-F137 AromaticContact CD1-CD2 3.68Å; F66-F137 HydrophobicContact CD1-CD2 3.68Å; F66-F137 HydrophobicContact CD1-CE2 4.11Å; F66-F137 HydrophobicContact CE1-CD2 4.25Å; F66-F137 HydrophobicContact CE1-CE2 4.22Å; F66-F137 HydrophobicContact CG-CB 4.35Å; F66-F137 AromaticContact CG-CD2 3.88Å; F66-F137 HydrophobicContact CG-CD2 3.88Å; F66-F137 HydrophobicContact CG-CG 4.31Å; F66-L160 HydrophobicContact CE2-CD2 4.05Å; F66-L160 HydrophobicContact CZ-CD2 3.77Å; F66-A161 WeakPolarHBondContact CA-O 3.43Å; F66-I162 HydrophobicContact CD2-CG2 4.1Å
67R92.3Very high89.1Confident18 Ų1825.6 Ų25.67%0.06816%0.156CC..EExtended strand (participates in β ladder)trans-136128.2176.8-171160-178.7-135.50.5110.6V69 Y132 S133 A161 E164 S167 E263R67-V69 HydrophobicContact CG-CG2 4.08Å; R67-Y132 WeakPolarHBondContact CA-O 3.37Å; R67-S133 WeakPolarHBondContact CD-OG 3.45Å; R67-S133 WeakPolarHBondContact CG-OG 3.32Å; R67-S133 PolarHBondContact NE-OG 3.26Å; R67-A161 PolarHBondContact N-O 3.1Å; R67-A161 PolarHBondContact O-N 3.33Å; R67-E164 WeakPolarHBondContact CD-OE2 3.38Å; R67-E164 IonicContact NH1-OE2 3.43Å; R67-E164 PolarHBondContact NH1-OE2 2.94Å; R67-S167 VanDerWaalsContact CZ-CB 3.44Å; R67-S167 VanDerWaalsContact NH1-CB 3.29Å; R67-S167 VanDerWaalsContact NH2-CB 3.35Å; R67-S167 PolarHBondContact NH2-OG 3.46Å; R67-E263 IonicContact CZ-OE1 3.54Å; R67-E263 IonicContact NH1-OE1 3.09Å; R67-E263 PolarHBondContact NH1-OE1 2.81Å; R67-E263 IonicContact NH1-OE2 2.87Å; R67-E263 PolarHBondContact NH1-OE2 3.37Å; R67-E263 IonicContact NH2-OE1 2.83Å; R67-E263 PolarHBondContact NH2-OE1 3.06Å
68A94.1Very high89.3Confident0 Ų027.5 Ų27.50%016%0.164CC..EExtended strand (participates in β ladder)trans-116.1131.9170.600000108.6F66 W79 S131 Y132 I144 R159 L160F66-A68 HydrophobicContact CE1-CB 3.79Å; F66-A68 HydrophobicContact CZ-CB 3.85Å; A68-W79 HydrophobicContact CB-CH2 4.39Å; A68-W79 HydrophobicContact CB-CZ3 4.43Å; A68-S131 CarbonylContact O-C 3.4Å; A68-S131 VanDerWaalsContact O-CA 3.24Å; A68-S131 WeakPolarHBondContact O-CA 3.23Å; A68-Y132 PolarHBondContact N-O 2.79Å; A68-Y132 PolarHBondContact O-N 2.93Å; A68-I144 HydrophobicContact CB-CD1 4.07Å; A68-R159 CarbonylContact C-O 3.53Å; A68-R159 WeakPolarHBondContact CA-O 3.46Å; A68-L160 HydrophobicContact CB-CD2 3.78Å
69V93.8Very high89.6Confident2 Ų224.9 Ų24.91%0.01215%0.151CC..EExtended strand (participates in β ladder)trans-128.8123.6175.5-173.70000108.3R67 Q129 M130 R159R67-V69 HydrophobicContact CG-CG2 4.08Å; V69-Q129 HydrophobicContact CG1-CG 3.32Å; V69-M130 CarbonylContact C-O 3.57Å; V69-M130 WeakPolarHBondContact CA-O 3.22Å; V69-R159 HydrophobicContact CB-CB 4.1Å; V69-R159 HydrophobicContact CB-CG 4.3Å; V69-R159 HydrophobicContact CG2-CG 4.46Å; V69-R159 PolarHBondContact N-O 2.83Å; V69-R159 PolarHBondContact O-N 3.39Å
70V94.7Very high90.1Very high0 Ų024.9 Ų24.90%015%0.151CC..EExtended strand (participates in β ladder)trans-107.9121174.2177.20000108V77 W79 M130 L146 Q157V70-V77 HydrophobicContact CG1-CG2 4.24Å; V70-W79 HydrophobicContact CB-CD2 4.03Å; V70-W79 HydrophobicContact CB-CG 4.04Å; V70-W79 HydrophobicContact CG1-CB 4.44Å; V70-W79 HydrophobicContact CG1-CG 4.16Å; V70-W79 HydrophobicContact CG2-CB 4.38Å; V70-W79 HydrophobicContact CG2-CD2 3.49Å; V70-W79 VanDerWaalsContact CG2-CD2 3.49Å; V70-W79 HydrophobicContact CG2-CE3 3.64Å; V70-W79 HydrophobicContact CG2-CG 3.82Å; V70-W79 HydrophobicContact CG2-CH2 4.43Å; V70-W79 HydrophobicContact CG2-CZ2 4.34Å; V70-W79 HydrophobicContact CG2-CZ3 4.09Å; V70-M130 PolarHBondContact N-O 2.77Å; V70-M130 PolarHBondContact O-N 3.15Å; V70-L146 HydrophobicContact CG1-CD2 3.74Å; V70-Q157 CarbonylContact C-O 3.51Å; V70-Q157 WeakPolarHBondContact CA-O 3.4Å
71T94.5Very high90.7Very high7 Ų721.7 Ų21.74%0.04313%0.132CC..EExtended strand (participates in β ladder)trans-117.6104.8-179.2-52.50000109.1Q129 S156 Q157 A218T71-Q129 HydrophobicContact CG2-CB 4.48Å; T71-Q129 PolarHBondContact OG1-NE2 2.53Å; T71-S156 WeakPolarHBondContact O-CA 3.37Å; T71-Q157 PolarHBondContact N-O 3.5Å; T71-Q157 PolarHBondContact O-N 2.9Å; T71-A218 HydrophobicContact CG2-CB 3.53Å
72P93.6Very high91.2Very high1 Ų120.2 Ų20.21%0.00612%0.123CC..EExtended strand (participates in β ladder)trans-71.4134.3177.1-14.731.1000111G74 C75 V77 N128 M130 A218P72-G74 PolarHBondContact O-N 3.34Å; P72-C75 WeakPolarHBondContact CB-O 3.44Å; P72-V77 HydrophobicContact CB-CG2 4.06Å; P72-V77 HydrophobicContact CG-CG2 3.59Å; P72-N128 WeakPolarHBondContact CD-O 3.2Å; P72-M130 HydrophobicContact CG-CE 3.76Å; P72-A218 WeakPolarHBondContact O-CB 3.47Å
73C91.5Very high91.8Very high23 Ų2319.9 Ų19.916%0.15512%0.117CC..SBendtrans-9861.6-176.1-50.20000111V155 C220C73-V155 WeakPolarHBondContact CA-O 3.36Å; C73-V155 HydrophobicContact CB-CB 4.46Å; C73-V155 WeakPolarHBondContact CB-O 3.48Å; C73-V155 PolarHBondContact N-O 2.73Å; C73-C220 VanDerWaalsContact CA-SG 3.56Å; C73-C220 HydrophobicContact CB-CB 3.98Å; C73-C220 WeakPolarHBondContact CB-SG 3.5Å; C73-C220 WeakPolarHBondContact SG-CB 3.48Å; C73-C220 CovalentContact SG-SG 2.04Å; C73-C220 PolarHBondContact SG-SG 2.8Å
74G85.4Confident92Very high39 Ų3917.2 Ų17.240%0.40210%0.096SC..SBendtrans95.622.9174.400000116.1P72 R152P72-G74 PolarHBondContact O-N 3.34Å; G74-R152 PolarHBondContact O-NH2 3.47Å
75C88.3Confident91.7Very high8 Ų819.6 Ų19.65%0.05411%0.11CC..SBendtrans-154.4158.8179.336.20000110.4P72 T150 C154P72-C75 WeakPolarHBondContact CB-O 3.44Å; C75-T150 HydrophobicContact CB-CG2 4.35Å; C75-C154 HydrophobicContact CB-CB 3.78Å; C75-C154 WeakPolarHBondContact CB-SG 3.09Å; C75-C154 WeakPolarHBondContact SG-CA 3.5Å; C75-C154 WeakPolarHBondContact SG-CB 3.19Å; C75-C154 CovalentContact SG-SG 2.01Å; C75-C154 PolarHBondContact SG-SG 2.67Å
76D90.3Very high90.7Very high68 Ų6821 Ų2136%0.36412%0.122SC..  trans-83.5132.4177.9-61.5-7.1000110.1S127 V149 T150D76-S127 VanDerWaalsContact OD1-CB 3.25Å; D76-S127 WeakPolarHBondContact OD1-CB 3.48Å; D76-V149 HydrophobicContact CB-CB 3.97Å; D76-V149 PolarHBondContact O-N 2.63Å; D76-T150 HydrophobicContact CB-CG2 3.99Å
77V92.2Very high89.1Confident0 Ų023.2 Ų23.20%014%0.136CC..EExtended strand (participates in β ladder)trans-126.6144.5173.4-58.80000110.7V70 P72 I125 G126 M130 K147 C154 S156V70-V77 HydrophobicContact CG1-CG2 4.24Å; P72-V77 HydrophobicContact CB-CG2 4.06Å; P72-V77 HydrophobicContact CG-CG2 3.59Å; V77-I125 WeakPolarHBondContact O-CA 3.45Å; V77-G126 PolarHBondContact N-O 3.17Å; V77-G126 VanDerWaalsContact N-O 3.15Å; V77-G126 PolarHBondContact O-N 3.2Å; V77-G126 VanDerWaalsContact O-N 3.1Å; V77-M130 HydrophobicContact CG2-CE 3.9Å; V77-K147 WeakPolarHBondContact CA-O 3.27Å; V77-C154 HydrophobicContact CG1-CB 4.31Å; V77-C154 WeakPolarHBondContact CG1-SG 3.49Å; V77-S156 WeakPolarHBondContact CG1-OG 3.35Å
78E93.7Very high87.1Confident39 Ų3925.9 Ų25.918%0.18216%0.162CC..EExtended strand (participates in β ladder)trans-93.2129.2161.7177.4-178.9-174.400106.9R123 H124 I125 L146 K147 V149E78-R123 IonicContact OE1-CZ 3.88Å; E78-R123 IonicContact OE1-NH1 3.84Å; E78-R123 PolarHBondContact OE1-NH1 2.79Å; E78-H124 WeakPolarHBondContact CA-O 3.34Å; E78-I125 HydrophobicContact CB-CG1 3.91Å; E78-I125 HydrophobicContact CG-CD1 4.3Å; E78-I125 HydrophobicContact CG-CG1 3.8Å; E78-L146 CarbonylContact O-C 3.58Å; E78-L146 WeakPolarHBondContact O-CA 3.1Å; E78-K147 HydrophobicContact CB-CB 4.36Å; E78-K147 PolarHBondContact N-O 2.89Å; E78-K147 PolarHBondContact O-N 2.8Å; E78-V149 HydrophobicContact CB-CG2 3.95Å
79W95Very high84.7Confident1 Ų128.8 Ų28.80%0.00418%0.181CC..EExtended strand (participates in β ladder)trans-132.8147.3170.678.6-76.3000111.7A68 V70 L81 T122 R123 H124 M130 I144 V145 L146A68-W79 HydrophobicContact CB-CH2 4.39Å; A68-W79 HydrophobicContact CB-CZ3 4.43Å; V70-W79 HydrophobicContact CB-CD2 4.03Å; V70-W79 HydrophobicContact CB-CG 4.04Å; V70-W79 HydrophobicContact CG1-CB 4.44Å; V70-W79 HydrophobicContact CG1-CG 4.16Å; V70-W79 HydrophobicContact CG2-CB 4.38Å; V70-W79 HydrophobicContact CG2-CD2 3.49Å; V70-W79 VanDerWaalsContact CG2-CD2 3.49Å; V70-W79 HydrophobicContact CG2-CE3 3.64Å; V70-W79 HydrophobicContact CG2-CG 3.82Å; V70-W79 HydrophobicContact CG2-CH2 4.43Å; V70-W79 HydrophobicContact CG2-CZ2 4.34Å; V70-W79 HydrophobicContact CG2-CZ3 4.09Å; W79-L81 HydrophobicContact CE3-CB 4.49Å; W79-L81 HydrophobicContact CZ3-CB 3.84Å; W79-T122 HydrophobicContact CH2-CG2 3.77Å; W79-T122 HydrophobicContact CZ2-CG2 4.18Å; W79-T122 HydrophobicContact CZ3-CG2 4.19Å; W79-R123 WeakPolarHBondContact O-CA 3.3Å; W79-H124 AromaticContact CE2-CD2 3.78Å; W79-H124 AromaticContact CZ2-CD2 3.58Å; W79-H124 PolarHBondContact N-O 2.64Å; W79-H124 AromaticContact NE1-CD2 3.81Å; W79-H124 PolarHBondContact O-N 2.9Å; W79-M130 HydrophobicContact CZ2-CB 4.26Å; W79-M130 VanDerWaalsContact NE1-CB 3.27Å; W79-I144 HydrophobicContact CE3-CG2 4.13Å; W79-I144 HydrophobicContact CZ3-CD1 4.46Å; W79-I144 HydrophobicContact CZ3-CG1 4.47Å; W79-V145 CarbonylContact C-O 3.58Å; W79-V145 WeakPolarHBondContact CA-O 3.21Å; W79-L146 HydrophobicContact CB-CG 4.07Å
80A95.9Very high82.4Confident2 Ų238.5 Ų38.52%0.01722%0.223CC..EExtended strand (participates in β ladder)trans-133.9142175.700000110.5Y82 T122 R123 I144 V145A80-Y82 HydrophobicContact CB-CD2 4.45Å; A80-Y82 HydrophobicContact CB-CE2 3.54Å; A80-T122 CarbonylContact C-O 3.6Å; A80-T122 VanDerWaalsContact CA-O 3.27Å; A80-T122 WeakPolarHBondContact CA-O 3.33Å; A80-R123 HydrophobicContact CB-CB 4.26Å; A80-R123 HydrophobicContact CB-CG 4.36Å; A80-I144 WeakPolarHBondContact O-CA 3.34Å; A80-V145 PolarHBondContact N-O 2.91Å; A80-V145 PolarHBondContact O-N 3Å
81L96Very high79.9Confident0 Ų042.6 Ų42.60%025%0.252CS..EExtended strand (participates in β ladder)trans-107.6128.4175.1176.464.8000109.3F57 F66 W79 L121 T122 Y132 I144F57-L81 HydrophobicContact CE1-CD1 3.96Å; F57-L81 HydrophobicContact CZ-CD1 3.85Å; F66-L81 HydrophobicContact CE1-CD2 3.83Å; W79-L81 HydrophobicContact CE3-CB 4.49Å; W79-L81 HydrophobicContact CZ3-CB 3.84Å; L81-L121 HydrophobicContact CB-CB 4.49Å; L81-L121 HydrophobicContact CD2-CB 4.18Å; L81-L121 HydrophobicContact CD2-CD1 3.88Å; L81-L121 HydrophobicContact CG-CB 4.24Å; L81-L121 HydrophobicContact CG-CD1 4.08Å; L81-L121 PolarHBondContact O-N 3.18Å; L81-T122 HydrophobicContact CB-CG2 3.98Å; L81-T122 PolarHBondContact N-O 3.06Å; L81-Y132 HydrophobicContact CD2-CD1 3.39Å; L81-Y132 HydrophobicContact CD2-CE1 3.77Å; L81-Y132 HydrophobicContact CD2-CG 3.8Å; L81-I144 HydrophobicContact CD1-CD1 4.34Å; L81-I144 HydrophobicContact CD1-CG1 3.61Å
82Y94.1Very high77Confident39 Ų3951.9 Ų51.915%0.15329%0.287CS..EExtended strand (participates in β ladder)trans-118137.3176.1-54.9-91.7000110.4A80 E119 E120 R123 G142 R143 V145A80-Y82 HydrophobicContact CB-CD2 4.45Å; A80-Y82 HydrophobicContact CB-CE2 3.54Å; Y82-E119 CarbonylContact C-O 3.49Å; Y82-E119 VanDerWaalsContact CA-O 3.26Å; Y82-E119 WeakPolarHBondContact CA-O 3.5Å; Y82-E120 HydrophobicContact CD1-CB 3.89Å; Y82-E120 HydrophobicContact CD1-CG 4.34Å; Y82-E120 HydrophobicContact CE1-CB 3.79Å; Y82-E120 HydrophobicContact CE1-CG 3.98Å; Y82-R123 PolarHBondContact OH-NH2 2.91Å; Y82-G142 CarbonylContact O-C 3.52Å; Y82-G142 WeakPolarHBondContact O-CA 3.28Å; Y82-R143 PolarHBondContact N-O 2.79Å; Y82-R143 PolarHBondContact O-N 3.02Å; Y82-V145 HydrophobicContact CD2-CG2 4.03Å; Y82-V145 HydrophobicContact CE2-CB 4.13Å; Y82-V145 HydrophobicContact CE2-CG2 3.66Å
83R92.1Very high74.1Confident37 Ų3763 Ų6314%0.1433%0.329CS..EExtended strand (participates in β ladder)trans-85.2133.8161.316516958-1429.6108.6V85 E118 E119 L121 F137 S138R83-V85 HydrophobicContact CG-CG2 4.06Å; R83-E118 WeakPolarHBondContact O-CA 3.3Å; R83-E119 HydrophobicContact CB-CB 4.48Å; R83-E119 IonicContact CZ-OE1 2.78Å; R83-E119 IonicContact CZ-OE2 2.66Å; R83-E119 PolarHBondContact N-O 3.35Å; R83-E119 IonicContact NE-OE2 3.79Å; R83-E119 PolarHBondContact NE-OE2 3.47Å; R83-E119 IonicContact NH2-OE1 3.59Å; R83-E119 PolarHBondContact NH2-OE1 3Å; R83-E119 IonicContact NH2-OE2 2.91Å; R83-E119 PolarHBondContact NH2-OE2 2.79Å; R83-E119 PolarHBondContact O-N 3.26Å; R83-L121 HydrophobicContact CB-CD1 4.03Å; R83-L121 HydrophobicContact CB-CD2 4.16Å; R83-L121 HydrophobicContact CB-CG 4.1Å; R83-F137 HydrophobicContact CB-CZ 4.27Å; R83-S138 WeakPolarHBondContact CD-O 3.2Å; R83-S138 PolarHBondContact NH1-OG 2.98Å
84R86.6Confident71.6Confident37 Ų3770.8 Ų70.814%0.1436%0.356CS..EExtended strand (participates in β ladder)trans-109.3119.4176.9-59.9-174.378.1-156.2-9.1109.4D56 V116 E118 M141 R143D56-R84 IonicContact OD1-CZ 3.14Å; D56-R84 IonicContact OD1-NH1 2.8Å; D56-R84 PolarHBondContact OD1-NH1 2.89Å; D56-R84 IonicContact OD2-NH1 3.99Å; R84-V116 HydrophobicContact CB-CG1 3.75Å; R84-V116 HydrophobicContact CG-CG1 4.26Å; R84-E118 WeakPolarHBondContact CD-OE1 3.42Å; R84-E118 HydrophobicContact CG-CG 4.16Å; R84-E118 IonicContact CZ-OE1 3.85Å; R84-E118 IonicContact NE-OE1 3.62Å; R84-E118 PolarHBondContact NE-OE1 3.46Å; R84-E118 IonicContact NH2-OE1 2.84Å; R84-M141 HydrophobicContact CB-CB 3.89Å; R84-M141 PolarHBondContact N-O 3.17Å; R84-R143 HydrophobicContact CG-CB 4.38Å
85V80.2Confident69.2Low65 Ų6578.6 Ų78.639%0.39438%0.375SS..EExtended strand (participates in β ladder)trans-108.7119.9176.5-172.80000107.9R83 V87 R117R83-V85 HydrophobicContact CG-CG2 4.06Å; V85-V87 PolarHBondContact O-N 3.17Å; V85-V87 VanDerWaalsContact O-N 3.1Å; V85-R117 PolarHBondContact N-O 2.64Å; V85-R117 PolarHBondContact O-N 2.68Å
86A68.5Low66.5Low51 Ų5185.4 Ų85.442%0.42141%0.411SS..EExtended strand (participates in β ladder)trans-68107.7168.100000107.9
87V57.8Low63.8Low51 Ų5187.4 Ų87.431%0.30943%0.427SS..EExtended strand (participates in β ladder)trans-91.9110.8172.7-176.30000106.1V85 P89 T115 R117V85-V87 PolarHBondContact O-N 3.17Å; V85-V87 VanDerWaalsContact O-N 3.1Å; V87-P89 WeakPolarHBondContact O-CD 3.49Å; V87-T115 PolarHBondContact N-O 3.04Å; V87-T115 PolarHBondContact O-OG1 3.21Å; V87-R117 HydrophobicContact CG2-CB 3.69Å
88A52Low61.3Low73 Ų7396.8 Ų96.860%0.60347%0.471SS*.  trans-56.7123.7164.200000107K90A88-K90 PolarHBondContact O-N 3.27Å
89P43.7Very low58.4Low62 Ų62101.9 Ų101.940%0.40350%0.499SS..  trans-53.9128.9-179.618.2-29000108.7V87 S91V87-P89 WeakPolarHBondContact O-CD 3.49Å; P89-S91 PolarHBondContact O-N 3.28Å
90K44.5Very low55.2Low206 Ų206107.7 Ų107.790%0.89654%0.535SS*.THydrogen-bonded Turntrans-60.5-4.5-178.8-76.6-175.5176.4-179.40113.3A88A88-K90 PolarHBondContact O-N 3.27Å
91S42.3Very low52.2Low86 Ų86113.4 Ų113.460%0.60157%0.57SS**THydrogen-bonded Turntrans-106.837.9-170.965.20000114.4P89P89-S91 PolarHBondContact O-N 3.28Å
92Y33.2Very low49.1Very low201 Ų201120.1 Ų120.179%0.78861%0.606SS**  trans-146.756.9158-79.6-78.9000109.4Y94Y92-Y94 VanDerWaalsContact C-N 3.34Å
93R33.2Very low46.4Very low236 Ų236125.5 Ų125.589%0.89164%0.637SS**  trans-88.4-4.2165.2-109.1-171.5-170.3-177.72.3113.2
94Y39.2Very low43.8Very low185 Ų185134.3 Ų134.373%0.72567%0.67SS**SBendtrans-113.8125.6174.3-77-87.2000108Y92Y92-Y94 VanDerWaalsContact C-N 3.34Å
95Y33.7Very low41.3Very low204 Ų204139.6 Ų139.680%0.870%0.7SS**SBendtrans72.888.2178.6-45-76.2000114.5
96L32.6Very low39.1Very low151 Ų151147.1 Ų147.179%0.79172%0.723SS**  -163.1108.9124.5-94.6166.6000106.8
97P32.7Very low37.4Very low109 Ų109148.6 Ų148.671%0.70874%0.743SS**  trans-60.3139.7174.1-16.729.6000109.8N99P97-N99 PolarHBondContact O-N 2.87Å
98E39.8Very low36Very low197 Ų197153.1 Ų153.192%0.92177%0.766SS**SBendtrans-59.79-171.3-111.8171176.500116.9
99N32.9Very low35Very low147 Ų147159.8 Ų159.879%0.78678%0.781SS**SBendtrans-139.786.4180-75.4-35.3000110P97P97-N99 PolarHBondContact O-N 2.87Å
100T28.8Very low34.5Very low122 Ų122163.1 Ų163.175%0.74880%0.8SS**  trans16797.5147.830.40000110.7
101V33.5Very low34Very low123 Ų123161.7 Ų161.775%0.74579%0.789SS**  trans-146.286.8133.6-173.50000106.9N103V101-N103 PolarHBondContact O-N 2.77Å
102D30.7Very low33.9Very low141 Ų141165.5 Ų165.575%0.75480%0.797SS**  trans-66.1124.5160.7-166.9-5.7000108.1R104D102-R104 VanDerWaalsContact C-N 3.32Å; D102-R104 PolarHBondContact O-N 2.8Å; D102-R104 VanDerWaalsContact O-N 3.08Å
103N37Very low34.1Very low151 Ų151162.9 Ų162.981%0.80780%0.797SS**SBendtrans-91.948.7-155.3-126.8-8.9000112.1V101V101-N103 PolarHBondContact O-N 2.77Å
104R36.5Very low34.9Very low223 Ų223155.8 Ų155.884%0.84278%0.776SS**  trans-125.6-2.2-168.4-84.3-172.9172.81700119.4D102D102-R104 VanDerWaalsContact C-N 3.32Å; D102-R104 PolarHBondContact O-N 2.8Å; D102-R104 VanDerWaalsContact O-N 3.08Å
105L35.5Very low35.6Very low147 Ų147151.1 Ų151.177%0.7777%0.767SS**SBendtrans-124.5-5.4-168.8-90.5157.6000120.2
106Y32.8Very low37.2Very low224 Ų224144 Ų14488%0.87875%0.745SS**  trans-138.1103.9176.1-70.2-78.9000113.2N108Y106-N108 PolarHBondContact O-N 2.85Å
107G32.7Very low39.4Very low82 Ų82145.6 Ų145.685%0.84574%0.74SS**  trans-74.845.1-178.900000115.5
108N28.6Very low42Very low145 Ų145144 Ų14478%0.77572%0.723SS**  trans-140106.9164.6-83.6-35.1000108.3Y106 V110Y106-N108 PolarHBondContact O-N 2.85Å; N108-V110 VanDerWaalsContact C-N 3.32Å; N108-V110 PolarHBondContact O-N 2.86Å
109K31.7Very low44.4Very low213 Ų213138.7 Ų138.793%0.92670%0.699SS**  trans-62.395.9169.8-73.5-179.7178.8176.40107.8R111K109-R111 VanDerWaalsContact C-N 3.32Å; K109-R111 PolarHBondContact O-N 2.86Å
110V32.3Very low47.3Very low132 Ų132135.9 Ų135.980%0.868%0.681SS**  trans-63.4102.2159179.90000105.2N108 Q112N108-V110 VanDerWaalsContact C-N 3.32Å; N108-V110 PolarHBondContact O-N 2.86Å; V110-Q112 PolarHBondContact O-N 3.26Å
111R34.6Very low50.4Low177 Ų177131.8 Ų131.867%0.66865%0.654SS**  trans-54.4112.7169.3-97.1-179169.5167.2-0.6106.1K109 D113K109-R111 VanDerWaalsContact C-N 3.32Å; K109-R111 PolarHBondContact O-N 2.86Å; R111-D113 PolarHBondContact O-N 2.82Å; R111-D113 VanDerWaalsContact O-N 3.17Å
112Q39.3Very low53.3Low165 Ų165127 Ų12777%0.77163%0.625SS**  trans-61.4116.9161.6-79.4176.1-19.600106.4V110 L114V110-Q112 PolarHBondContact O-N 3.26Å; Q112-L114 PolarHBondContact O-N 3.31Å
113D38.9Very low56.5Low147 Ų147125 Ų12579%0.78661%0.607SS**  trans-65.482.1168.7-79.3-28000108.3R111 T115R111-D113 PolarHBondContact O-N 2.82Å; R111-D113 VanDerWaalsContact O-N 3.17Å; D113-T115 PolarHBondContact O-N 3.05Å; D113-T115 VanDerWaalsContact O-N 3.08Å
114L48.8Very low59.2Low86 Ų86121.2 Ų121.245%0.4558%0.584SS.*  trans-61.8110.6166.5-76.4158.9000106.8Q112 V116Q112-L114 PolarHBondContact O-N 3.31Å; L114-V116 PolarHBondContact O-N 3.04Å
115T54.7Low61.9Low87 Ų87116 Ų11653%0.53457%0.572SS.*EExtended strand (participates in β ladder)trans-59.9104.5165.3360000108.3V87 D113V87-T115 PolarHBondContact N-O 3.04Å; V87-T115 PolarHBondContact O-OG1 3.21Å; D113-T115 PolarHBondContact O-N 3.05Å; D113-T115 VanDerWaalsContact O-N 3.08Å
116V66.7Low64.5Low56 Ų56109.9 Ų109.934%0.33954%0.544SS..EExtended strand (participates in β ladder)trans-82.5117.3175.9-177.30000108R84 L114 E118R84-V116 HydrophobicContact CB-CG1 3.75Å; R84-V116 HydrophobicContact CG-CG1 4.26Å; L114-V116 PolarHBondContact O-N 3.04Å; V116-E118 HydrophobicContact CG1-CG 4.42Å
117R79.9Confident67.1Low183 Ų183101.5 Ų101.569%0.69152%0.519SS*.EExtended strand (participates in β ladder)trans-85.6127.5169.3-173.5177.4177.6-175.5-1.2108.3V85 V87V85-R117 PolarHBondContact N-O 2.64Å; V85-R117 PolarHBondContact O-N 2.68Å; V87-R117 HydrophobicContact CG2-CB 3.69Å
118E86.8Confident69.7Low76 Ų76101.4 Ų101.436%0.35550%0.499SS..EExtended strand (participates in β ladder)trans-102.3138.5174.8-54.4-163.1153.500109.8R83 R84 V116 R143R83-E118 WeakPolarHBondContact O-CA 3.3Å; R84-E118 WeakPolarHBondContact CD-OE1 3.42Å; R84-E118 HydrophobicContact CG-CG 4.16Å; R84-E118 IonicContact CZ-OE1 3.85Å; R84-E118 IonicContact NE-OE1 3.62Å; R84-E118 PolarHBondContact NE-OE1 3.46Å; R84-E118 IonicContact NH2-OE1 2.84Å; V116-E118 HydrophobicContact CG1-CG 4.42Å; E118-R143 IonicContact OE1-CZ 3.4Å; E118-R143 IonicContact OE1-NE 3.61Å; E118-R143 IonicContact OE1-NH1 3.82Å; E118-R143 PolarHBondContact OE1-NH1 2.93Å; E118-R143 IonicContact OE2-NH1 2.81Å
119E90.5Very high72.6Confident85 Ų8597.2 Ų97.240%0.39748%0.475SS..EExtended strand (participates in β ladder)trans-125.6120.5175.6-178.7-174.8168.800108.5Y82 R83 L121Y82-E119 CarbonylContact C-O 3.49Å; Y82-E119 VanDerWaalsContact CA-O 3.26Å; Y82-E119 WeakPolarHBondContact CA-O 3.5Å; R83-E119 HydrophobicContact CB-CB 4.48Å; R83-E119 IonicContact CZ-OE1 2.78Å; R83-E119 IonicContact CZ-OE2 2.66Å; R83-E119 PolarHBondContact N-O 3.35Å; R83-E119 IonicContact NE-OE2 3.79Å; R83-E119 PolarHBondContact NE-OE2 3.47Å; R83-E119 IonicContact NH2-OE1 3.59Å; R83-E119 PolarHBondContact NH2-OE1 3Å; R83-E119 IonicContact NH2-OE2 2.91Å; R83-E119 PolarHBondContact NH2-OE2 2.79Å; R83-E119 PolarHBondContact O-N 3.26Å; E119-L121 PolarHBondContact O-N 3.44Å
120E94.1Very high75.5Confident89 Ų8988 Ų8842%0.41644%0.435SS..EExtended strand (participates in β ladder)trans-71.2121.7176.4-172.1170.1140.400109.9Y82 R123Y82-E120 HydrophobicContact CD1-CB 3.89Å; Y82-E120 HydrophobicContact CD1-CG 4.34Å; Y82-E120 HydrophobicContact CE1-CB 3.79Å; Y82-E120 HydrophobicContact CE1-CG 3.98Å; E120-R123 VanDerWaalsContact OE1-CB 3.27Å; E120-R123 WeakPolarHBondContact OE1-CB 3.42Å; E120-R123 IonicContact OE1-CZ 2.93Å; E120-R123 IonicContact OE1-NE 2.8Å; E120-R123 PolarHBondContact OE1-NE 2.78Å; E120-R123 IonicContact OE1-NH2 3.36Å; E120-R123 IonicContact OE2-CZ 2.6Å; E120-R123 IonicContact OE2-NE 3.24Å; E120-R123 IonicContact OE2-NH2 3.21Å; E120-R123 PolarHBondContact OE2-NH2 2.81Å
121L93.3Very high78.4Confident35 Ų3584.5 Ų84.518%0.18342%0.417CS..EExtended strand (participates in β ladder)trans-93.4-36.4177.7-62-177.4000111.9L81 R83 E119 Y132 F137L81-L121 HydrophobicContact CB-CB 4.49Å; L81-L121 HydrophobicContact CD2-CB 4.18Å; L81-L121 HydrophobicContact CD2-CD1 3.88Å; L81-L121 HydrophobicContact CG-CB 4.24Å; L81-L121 HydrophobicContact CG-CD1 4.08Å; L81-L121 PolarHBondContact O-N 3.18Å; R83-L121 HydrophobicContact CB-CD1 4.03Å; R83-L121 HydrophobicContact CB-CD2 4.16Å; R83-L121 HydrophobicContact CB-CG 4.1Å; E119-L121 PolarHBondContact O-N 3.44Å; L121-Y132 HydrophobicContact CB-CE2 4.09Å; L121-Y132 HydrophobicContact CD1-CE1 4.23Å; L121-F137 HydrophobicContact CD1-CD2 4.27Å; L121-F137 HydrophobicContact CD1-CE2 3.48Å; L121-F137 VanDerWaalsContact CD1-CE2 3.48Å; L121-F137 HydrophobicContact CD1-CZ 4.15Å
122T95Very high81.2Confident23 Ų2378.3 Ų78.314%0.14139%0.394CS..EExtended strand (participates in β ladder)trans-159.8159.5174.3-165.40000111.5W79 A80 L81 H124 Y132W79-T122 HydrophobicContact CH2-CG2 3.77Å; W79-T122 HydrophobicContact CZ2-CG2 4.18Å; W79-T122 HydrophobicContact CZ3-CG2 4.19Å; A80-T122 CarbonylContact C-O 3.6Å; A80-T122 VanDerWaalsContact CA-O 3.27Å; A80-T122 WeakPolarHBondContact CA-O 3.33Å; L81-T122 HydrophobicContact CB-CG2 3.98Å; L81-T122 PolarHBondContact N-O 3.06Å; T122-H124 PolarHBondContact OG1-CD2 2.88Å; T122-H124 PolarHBondContact OG1-CE1 3.15Å; T122-H124 PolarHBondContact OG1-NE2 3.06Å; T122-Y132 HydrophobicContact CG2-CD2 3.78Å; T122-Y132 HydrophobicContact CG2-CG 4.08Å
123R95.9Very high83.7Confident100 Ų10073.9 Ų73.938%0.37738%0.381SS..EExtended strand (participates in β ladder)trans-142.9134.2169.3179-178.2-57.5-89.4-3.4109.6E78 W79 A80 Y82 E120E78-R123 IonicContact OE1-CZ 3.88Å; E78-R123 IonicContact OE1-NH1 3.84Å; E78-R123 PolarHBondContact OE1-NH1 2.79Å; W79-R123 WeakPolarHBondContact O-CA 3.3Å; A80-R123 HydrophobicContact CB-CB 4.26Å; A80-R123 HydrophobicContact CB-CG 4.36Å; Y82-R123 PolarHBondContact OH-NH2 2.91Å; E120-R123 VanDerWaalsContact OE1-CB 3.27Å; E120-R123 WeakPolarHBondContact OE1-CB 3.42Å; E120-R123 IonicContact OE1-CZ 2.93Å; E120-R123 IonicContact OE1-NE 2.8Å; E120-R123 PolarHBondContact OE1-NE 2.78Å; E120-R123 IonicContact OE1-NH2 3.36Å; E120-R123 IonicContact OE2-CZ 2.6Å; E120-R123 IonicContact OE2-NE 3.24Å; E120-R123 IonicContact OE2-NH2 3.21Å; E120-R123 PolarHBondContact OE2-NH2 2.81Å
124H94.5Very high86.2Confident71 Ų7168.6 Ų68.633%0.32935%0.354SS..EExtended strand (participates in β ladder)trans-139154.3176.6-57.3-81000110.9E78 W79 T122 M130E78-H124 WeakPolarHBondContact CA-O 3.34Å; W79-H124 AromaticContact CE2-CD2 3.78Å; W79-H124 AromaticContact CZ2-CD2 3.58Å; W79-H124 PolarHBondContact N-O 2.64Å; W79-H124 AromaticContact NE1-CD2 3.81Å; W79-H124 PolarHBondContact O-N 2.9Å; T122-H124 PolarHBondContact OG1-CD2 2.88Å; T122-H124 PolarHBondContact OG1-CE1 3.15Å; T122-H124 PolarHBondContact OG1-NE2 3.06Å; H124-M130 HydrophobicContact CB-CB 4.38Å; H124-M130 HydrophobicContact CB-CG 4.16Å; H124-M130 HydrophobicContact CB-SD 3.43Å; H124-M130 WeakPolarHBondContact CB-SD 3.23Å
125I92.7Very high88.1Confident112 Ų11271.8 Ų71.857%0.57437%0.371SS*.EExtended strand (participates in β ladder)trans-130.6129.7175.3-60.3174.7000107.5V77 E78 V149V77-I125 WeakPolarHBondContact O-CA 3.45Å; E78-I125 HydrophobicContact CB-CG1 3.91Å; E78-I125 HydrophobicContact CG-CD1 4.3Å; E78-I125 HydrophobicContact CG-CG1 3.8Å; I125-V149 HydrophobicContact CG2-CG2 4.08Å
126G90.6Very high89.7Confident19 Ų1970.2 Ų70.220%0.19636%0.364CS..EExtended strand (participates in β ladder)trans168.3175.8172.700000115.1V77V77-G126 PolarHBondContact N-O 3.17Å; V77-G126 VanDerWaalsContact N-O 3.15Å; V77-G126 PolarHBondContact O-N 3.2Å; V77-G126 VanDerWaalsContact O-N 3.1Å
127S87.7Confident90.6Very high49 Ų4967.7 Ų67.734%0.34335%0.348SS..SBendtrans-89.1-20.6175.555.50000113.8D76D76-S127 VanDerWaalsContact OD1-CB 3.25Å; D76-S127 WeakPolarHBondContact OD1-CB 3.48Å
128N88.2Confident90.7Very high79 Ų7962.1 Ų62.142%0.42234%0.338SS..SBendtrans-95.9168.5-168.9-64.3-5.8000111.1P72 M130P72-N128 WeakPolarHBondContact CD-O 3.2Å; N128-M130 WeakPolarHBondContact O-CG 2.98Å; N128-M130 PolarHBondContact O-N 3.45Å
129Q89.4Confident90.5Very high57 Ų5759.5 Ų59.527%0.26633%0.331SS..  trans-59.8123.6174.2-175.1178.680.800110.5V69 T71 T264V69-Q129 HydrophobicContact CG1-CG 3.32Å; T71-Q129 HydrophobicContact CG2-CB 4.48Å; T71-Q129 PolarHBondContact OG1-NE2 2.53Å; Q129-T264 PolarHBondContact NE2-O 3.36Å; Q129-T264 PolarHBondContact OE1-O 3.23Å
130M92.3Very high90.2Very high21 Ų2163.3 Ų63.310%0.10334%0.342CS..EExtended strand (participates in β ladder)trans-117.5140.7179.3-66.8166.9-76.700109.1V69 V70 P72 V77 W79 H124 N128V69-M130 CarbonylContact C-O 3.57Å; V69-M130 WeakPolarHBondContact CA-O 3.22Å; V70-M130 PolarHBondContact N-O 2.77Å; V70-M130 PolarHBondContact O-N 3.15Å; P72-M130 HydrophobicContact CG-CE 3.76Å; V77-M130 HydrophobicContact CG2-CE 3.9Å; W79-M130 HydrophobicContact CZ2-CB 4.26Å; W79-M130 VanDerWaalsContact NE1-CB 3.27Å; H124-M130 HydrophobicContact CB-CB 4.38Å; H124-M130 HydrophobicContact CB-CG 4.16Å; H124-M130 HydrophobicContact CB-SD 3.43Å; H124-M130 WeakPolarHBondContact CB-SD 3.23Å; N128-M130 WeakPolarHBondContact O-CG 2.98Å; N128-M130 PolarHBondContact O-N 3.45Å
131S92.5Very high89.9Confident58 Ų5861.9 Ų61.941%0.40634%0.336SS..EExtended strand (participates in β ladder)trans-139.9145.5-176.769.20000113.6A68A68-S131 CarbonylContact O-C 3.4Å; A68-S131 VanDerWaalsContact O-CA 3.24Å; A68-S131 WeakPolarHBondContact O-CA 3.23Å
132Y93.2Very high89.8Confident47 Ų4760.2 Ų60.218%0.18433%0.327CS..EExtended strand (participates in β ladder)trans-115.2134.4165.7176.9-94.4000109.1F66 R67 A68 L81 L121 T122 T134F66-Y132 HydrophobicContact CD1-CD1 4.1Å; F66-Y132 HydrophobicContact CD1-CE1 4.22Å; F66-Y132 HydrophobicContact CE1-CD1 4.14Å; R67-Y132 WeakPolarHBondContact CA-O 3.37Å; A68-Y132 PolarHBondContact N-O 2.79Å; A68-Y132 PolarHBondContact O-N 2.93Å; L81-Y132 HydrophobicContact CD2-CD1 3.39Å; L81-Y132 HydrophobicContact CD2-CE1 3.77Å; L81-Y132 HydrophobicContact CD2-CG 3.8Å; L121-Y132 HydrophobicContact CB-CE2 4.09Å; L121-Y132 HydrophobicContact CD1-CE1 4.23Å; T122-Y132 HydrophobicContact CG2-CD2 3.78Å; T122-Y132 HydrophobicContact CG2-CG 4.08Å; Y132-T134 HydrophobicContact CE1-CG2 3.83Å
133S91.7Very high89.7Confident72 Ų7261.7 Ų61.750%0.50333%0.33SS..EExtended strand (participates in β ladder)trans-136.4135177.5-60.70000109.9F66 R67F66-S133 WeakPolarHBondContact O-CA 3.31Å; R67-S133 WeakPolarHBondContact CD-OG 3.45Å; R67-S133 WeakPolarHBondContact CG-OG 3.32Å; R67-S133 PolarHBondContact NE-OG 3.26Å
134T91.2Very high89.6Confident35 Ų3556.9 Ų56.922%0.21531%0.312CS..EExtended strand (participates in β ladder)trans-136.5144.7171.9178.50000110.1S65 F66 Y132 S136 F137S65-T134 CarbonylContact C-O 3.57Å; S65-T134 VanDerWaalsContact CA-O 3.28Å; S65-T134 WeakPolarHBondContact CA-O 3.4Å; F66-T134 HydrophobicContact CB-CG2 3.95Å; F66-T134 HydrophobicContact CD1-CG2 4.41Å; F66-T134 PolarHBondContact N-O 2.84Å; F66-T134 PolarHBondContact O-N 3.11Å; Y132-T134 HydrophobicContact CE1-CG2 3.83Å; T134-S136 PolarHBondContact O-N 3.06Å; T134-S136 PolarHBondContact OG1-N 2.79Å; T134-S136 PolarHBondContact OG1-O 2.9Å; T134-S136 VanDerWaalsContact OG1-O 3.07Å; T134-F137 HydrophobicContact CG2-CB 4.18Å; T134-F137 HydrophobicContact CG2-CD2 4.27Å
135N88.9Confident89.6Confident153 Ų15355.1 Ų55.182%0.81831%0.306SS*.SBendtrans-73.3-19.5174.3-67.9-23.4000112.4S65S65-N135 WeakPolarHBondContact CA-O 3.49Å; S65-N135 PolarHBondContact N-O 2.86Å
136S87.9Confident89.6Confident55 Ų5549.8 Ų49.839%0.38528%0.279SS..  trans-149.9113.6176.9-166.50000111T63 T134 S138T63-S136 WeakPolarHBondContact CA-OG 3.42Å; T63-S136 PolarHBondContact O-OG 3.09Å; T134-S136 PolarHBondContact O-N 3.06Å; T134-S136 PolarHBondContact OG1-N 2.79Å; T134-S136 PolarHBondContact OG1-O 2.9Å; T134-S136 VanDerWaalsContact OG1-O 3.07Å; S136-S138 PolarHBondContact O-N 2.82Å
137F86.5Confident89.7Confident2 Ų253.1 Ų53.11%0.00929%0.288CS..  trans-84.5102.5171.9-165.9-90.5000110L59 T63 S64 F66 R83 L121 T134 G139L59-F137 HydrophobicContact CD1-CD1 4.05Å; L59-F137 HydrophobicContact CD1-CE1 4.12Å; L59-F137 HydrophobicContact CD2-CB 3.88Å; L59-F137 HydrophobicContact CD2-CD1 3.86Å; L59-F137 HydrophobicContact CD2-CG 4.04Å; T63-F137 WeakPolarHBondContact CA-O 3.48Å; T63-F137 PolarHBondContact N-O 2.82Å; S64-F137 PolarHBondContact O-N 2.94Å; F66-F137 HydrophobicContact CB-CB 3.73Å; F66-F137 HydrophobicContact CB-CD2 4.1Å; F66-F137 HydrophobicContact CB-CG 4.22Å; F66-F137 AromaticContact CD1-CD2 3.68Å; F66-F137 HydrophobicContact CD1-CD2 3.68Å; F66-F137 HydrophobicContact CD1-CE2 4.11Å; F66-F137 HydrophobicContact CE1-CD2 4.25Å; F66-F137 HydrophobicContact CE1-CE2 4.22Å; F66-F137 HydrophobicContact CG-CB 4.35Å; F66-F137 AromaticContact CG-CD2 3.88Å; F66-F137 HydrophobicContact CG-CD2 3.88Å; F66-F137 HydrophobicContact CG-CG 4.31Å; R83-F137 HydrophobicContact CB-CZ 4.27Å; L121-F137 HydrophobicContact CD1-CD2 4.27Å; L121-F137 HydrophobicContact CD1-CE2 3.48Å; L121-F137 VanDerWaalsContact CD1-CE2 3.48Å; L121-F137 HydrophobicContact CD1-CZ 4.15Å; T134-F137 HydrophobicContact CG2-CB 4.18Å; T134-F137 HydrophobicContact CG2-CD2 4.27Å; F137-G139 PolarHBondContact O-N 2.65Å
138S82.7Confident89.8Confident67 Ų6751.1 Ų51.147%0.46927%0.274SS..  trans-76.485.4178.146.60000111R83 S136R83-S138 WeakPolarHBondContact CD-O 3.2Å; R83-S138 PolarHBondContact NH1-OG 2.98Å; S136-S138 PolarHBondContact O-N 2.82Å
139G81Confident89.8Confident21 Ų2150.9 Ų50.922%0.21628%0.275CS..SBendtrans158.7169.8178.700000111.7F137F137-G139 PolarHBondContact O-N 2.65Å
140R84.8Confident89.5Confident165 Ų16549.6 Ų49.662%0.62327%0.271SS*.SBendtrans-104.6-27.3172.2-72.4-172.1-177.8-168.4-0.1113L58 L59 P62L58-R140 CarbonylContact C-O 3.57Å; L58-R140 VanDerWaalsContact CA-O 3.31Å; L58-R140 WeakPolarHBondContact CA-O 3.35Å; L58-R140 HydrophobicContact CD1-CB 4.03Å; L58-R140 WeakPolarHBondContact CD1-O 3.43Å; L59-R140 PolarHBondContact N-O 3.18Å; P62-R140 HydrophobicContact CB-CG 3.95Å; P62-R140 HydrophobicContact CG-CG 4.11Å
141M88.8Confident89.1Confident58 Ų5855 Ų5529%0.28630%0.301SS..EExtended strand (participates in β ladder)trans-116.1139.9-174-61.2173.7-143.700110.7F33 F57 L58 R84F33-M141 HydrophobicContact CE1-CG 4.36Å; F33-M141 HydrophobicContact CE1-SD 4.3Å; F33-M141 HydrophobicContact CZ-SD 4.38Å; F57-M141 WeakPolarHBondContact O-CA 3.36Å; L58-M141 HydrophobicContact CD1-CG 3.78Å; R84-M141 HydrophobicContact CB-CB 3.89Å; R84-M141 PolarHBondContact N-O 3.17Å
142G90.6Very high88.7Confident0 Ų059.2 Ų59.20%031%0.307CS..EExtended strand (participates in β ladder)trans-139.7164.2170.400000111.4F57 Y82F57-G142 WeakPolarHBondContact CD1-O 3.22Å; F57-G142 VanDerWaalsContact CZ-CA 3.49Å; F57-G142 PolarHBondContact N-O 2.82Å; F57-G142 PolarHBondContact O-N 3.41Å; Y82-G142 CarbonylContact O-C 3.52Å; Y82-G142 WeakPolarHBondContact O-CA 3.28Å
143R92.8Very high88.3Confident54 Ų5460.8 Ų60.820%0.20432%0.323CS..EExtended strand (participates in β ladder)trans-137.9129.3178.5174177.7-74.4-175-19.2109.4V55 D56 Y82 R84 E118 V145V55-R143 CarbonylContact O-C 3.51Å; V55-R143 WeakPolarHBondContact O-CA 3.35Å; D56-R143 WeakPolarHBondContact OD1-CB 3.08Å; D56-R143 IonicContact OD1-CZ 3.22Å; D56-R143 IonicContact OD1-NE 3.27Å; D56-R143 PolarHBondContact OD1-NE 2.81Å; D56-R143 IonicContact OD1-NH2 3.15Å; D56-R143 PolarHBondContact OD1-NH2 3.37Å; D56-R143 IonicContact OD2-CZ 2.79Å; D56-R143 IonicContact OD2-NE 2.77Å; D56-R143 PolarHBondContact OD2-NE 2.81Å; D56-R143 IonicContact OD2-NH2 3.45Å; D56-R143 PolarHBondContact OD2-NH2 2.79Å; Y82-R143 PolarHBondContact N-O 2.79Å; Y82-R143 PolarHBondContact O-N 3.02Å; R84-R143 HydrophobicContact CG-CB 4.38Å; E118-R143 IonicContact OE1-CZ 3.4Å; E118-R143 IonicContact OE1-NE 3.61Å; E118-R143 IonicContact OE1-NH1 3.82Å; E118-R143 PolarHBondContact OE1-NH1 2.93Å; E118-R143 IonicContact OE2-NH1 2.81Å; R143-V145 HydrophobicContact CG-CG2 3.97Å
144I94.1Very high88.1Confident0 Ų057.3 Ų57.30%030%0.299CS..EExtended strand (participates in β ladder)trans-101.3131.5165.7-71.3173.4000107.6S54 V55 F57 A68 W79 A80 L81 L146 I158 L160S54-I144 CarbonylContact C-O 3.53Å; S54-I144 WeakPolarHBondContact CA-O 3.2Å; V55-I144 PolarHBondContact N-O 2.88Å; V55-I144 PolarHBondContact O-N 2.96Å; F57-I144 HydrophobicContact CE1-CD1 4.45Å; F57-I144 HydrophobicContact CE1-CG1 4.12Å; A68-I144 HydrophobicContact CB-CD1 4.07Å; W79-I144 HydrophobicContact CE3-CG2 4.13Å; W79-I144 HydrophobicContact CZ3-CD1 4.46Å; W79-I144 HydrophobicContact CZ3-CG1 4.47Å; A80-I144 WeakPolarHBondContact O-CA 3.34Å; L81-I144 HydrophobicContact CD1-CD1 4.34Å; L81-I144 HydrophobicContact CD1-CG1 3.61Å; I144-L146 HydrophobicContact CG2-CD1 3.58Å; I144-L146 HydrophobicContact CG2-CG 4.34Å; I144-I158 HydrophobicContact CD1-CG2 3.6Å; I144-I158 HydrophobicContact CG2-CD1 4.17Å; I144-L160 HydrophobicContact CD1-CD2 3.6Å
145V94Very high88.1Confident34 Ų3458.4 Ų58.421%0.20631%0.306CS..EExtended strand (participates in β ladder)trans-112127.4170.8-1770000107.8R53 W79 A80 Y82 R143R53-V145 CarbonylContact O-C 3.57Å; R53-V145 WeakPolarHBondContact O-CA 3.22Å; W79-V145 CarbonylContact C-O 3.58Å; W79-V145 WeakPolarHBondContact CA-O 3.21Å; A80-V145 PolarHBondContact N-O 2.91Å; A80-V145 PolarHBondContact O-N 3Å; Y82-V145 HydrophobicContact CD2-CG2 4.03Å; Y82-V145 HydrophobicContact CE2-CB 4.13Å; Y82-V145 HydrophobicContact CE2-CG2 3.66Å; R143-V145 HydrophobicContact CG-CG2 3.97Å
146L93.3Very high88.3Confident0 Ų051.1 Ų51.10%027%0.267CS..EExtended strand (participates in β ladder)trans-113.4142.7170.2-68.697.2000110.4V47 S52 R53 V70 E78 W79 I144 I158V47-L146 HydrophobicContact CG2-CB 3.92Å; S52-L146 CarbonylContact C-O 3.5Å; S52-L146 VanDerWaalsContact CA-O 3.27Å; S52-L146 WeakPolarHBondContact CA-O 3.1Å; R53-L146 PolarHBondContact N-O 3.18Å; R53-L146 PolarHBondContact O-N 3.06Å; V70-L146 HydrophobicContact CG1-CD2 3.74Å; E78-L146 CarbonylContact O-C 3.58Å; E78-L146 WeakPolarHBondContact O-CA 3.1Å; W79-L146 HydrophobicContact CB-CG 4.07Å; I144-L146 HydrophobicContact CG2-CD1 3.58Å; I144-L146 HydrophobicContact CG2-CG 4.34Å; L146-I158 HydrophobicContact CD1-CD1 3.28Å; L146-I158 HydrophobicContact CD1-CG1 3.85Å; L146-I158 HydrophobicContact CD2-CG1 4.46Å
147K91.3Very high88.6Confident89 Ų8950.2 Ų50.239%0.38726%0.257SS..EExtended strand (participates in β ladder)trans-135.7133175.4-176.6-178.5175.4-169.30108.9V77 E78 V149V77-K147 WeakPolarHBondContact CA-O 3.27Å; E78-K147 HydrophobicContact CB-CB 4.36Å; E78-K147 PolarHBondContact N-O 2.89Å; E78-K147 PolarHBondContact O-N 2.8Å; K147-V149 PolarHBondContact O-N 3.26Å
148S89.8Confident88.9Confident7 Ų750.1 Ų50.15%0.04926%0.256CS..EExtended strand (participates in β ladder)trans-71.4129.3172.3-173.70000109.1T150 R152S148-T150 PolarHBondContact OG-N 3.18Å; S148-T150 PolarHBondContact OG-O 2.84Å; S148-T150 PolarHBondContact OG-OG1 3.05Å; S148-R152 PolarHBondContact OG-O 2.89Å
149V88.3Confident89.4Confident73 Ų7347.3 Ų47.344%0.44224%0.235SC..  trans-86.1-20.4171.7-177.80000110.4D76 E78 I125 K147D76-V149 HydrophobicContact CB-CB 3.97Å; D76-V149 PolarHBondContact O-N 2.63Å; E78-V149 HydrophobicContact CB-CG2 3.95Å; I125-V149 HydrophobicContact CG2-CG2 4.08Å; K147-V149 PolarHBondContact O-N 3.26Å
150T84.5Confident90Very high30 Ų3046.4 Ų46.418%0.18423%0.225CC..SBendtrans-92.4152.8-177.6660000112.3C75 D76 S148 R152C75-T150 HydrophobicContact CB-CG2 4.35Å; D76-T150 HydrophobicContact CB-CG2 3.99Å; S148-T150 PolarHBondContact OG-N 3.18Å; S148-T150 PolarHBondContact OG-O 2.84Å; S148-T150 PolarHBondContact OG-OG1 3.05Å; T150-R152 PolarHBondContact O-N 3.2Å; T150-R152 WeakPolarHBondContact OG1-CG 3.34Å; T150-R152 PolarHBondContact OG1-O 3.36Å
151N82.8Confident90.3Very high136 Ų13638.8 Ų38.873%0.72720%0.198SC*.SBendtrans-74.924.1175.8-76.5-18.5000114.1Q49Q49-N151 VanDerWaalsContact NE2-CG 3.27Å; Q49-N151 PolarHBondContact NE2-OD1 3.34Å
152R84.6Confident90.5Very high145 Ų14536.3 Ų36.355%0.54719%0.185SC..SBendtrans-135154.3178.262.8-178.7-178.7-1651.4110.7G74 S148 T150 C154G74-R152 PolarHBondContact O-NH2 3.47Å; S148-R152 PolarHBondContact OG-O 2.89Å; T150-R152 PolarHBondContact O-N 3.2Å; T150-R152 WeakPolarHBondContact OG1-CG 3.34Å; T150-R152 PolarHBondContact OG1-O 3.36Å; R152-C154 PolarHBondContact O-N 2.92Å
153P84.9Confident90.3Very high80 Ų8040.7 Ų40.752%0.51921%0.205SC..  trans-54.2131.2170.2-23.733.6000110.3V47V47-P153 WeakPolarHBondContact O-CA 3.43Å
154C87.5Confident89.7Confident0 Ų039.7 Ų39.70%020%0.202CC..EExtended strand (participates in β ladder)trans-119.5131.5-177.1-1760000109.7Q46 V47 C75 V77 R152Q46-C154 CarbonylContact C-O 3.58Å; Q46-C154 WeakPolarHBondContact CA-O 3.39Å; V47-C154 PolarHBondContact N-O 3.43Å; V47-C154 PolarHBondContact O-N 2.56Å; C75-C154 HydrophobicContact CB-CB 3.78Å; C75-C154 WeakPolarHBondContact CB-SG 3.09Å; C75-C154 WeakPolarHBondContact SG-CA 3.5Å; C75-C154 WeakPolarHBondContact SG-CB 3.19Å; C75-C154 CovalentContact SG-SG 2.01Å; C75-C154 PolarHBondContact SG-SG 2.67Å; V77-C154 HydrophobicContact CG1-CB 4.31Å; V77-C154 WeakPolarHBondContact CG1-SG 3.49Å; R152-C154 PolarHBondContact O-N 2.92Å
155V91.2Very high88.7Confident58 Ų5848.2 Ų48.235%0.35224%0.239SC..EExtended strand (participates in β ladder)trans-101.3133.2171.9-178.10000107.9V45 Q46 C73V45-V155 WeakPolarHBondContact O-CA 3.48Å; Q46-V155 HydrophobicContact CB-CG2 4.34Å; Q46-V155 HydrophobicContact CG-CG2 4.24Å; C73-V155 WeakPolarHBondContact CA-O 3.36Å; C73-V155 HydrophobicContact CB-CB 4.46Å; C73-V155 WeakPolarHBondContact CB-O 3.48Å; C73-V155 PolarHBondContact N-O 2.73Å
156S92.8Very high87.9Confident0 Ų052.4 Ų52.40%026%0.256CS..EExtended strand (participates in β ladder)trans-134.3145.6176.7-68.50000110.6V45 T71 V77V45-S156 PolarHBondContact N-O 3.13Å; V45-S156 PolarHBondContact O-N 3.4Å; T71-S156 WeakPolarHBondContact O-CA 3.37Å; V77-S156 WeakPolarHBondContact CG1-OG 3.35Å
157Q93.7Very high87.4Confident36 Ų3652.9 Ų52.917%0.16826%0.259CS..EExtended strand (participates in β ladder)trans-95.5125.9172.7-80.6-178-9.700110.5L42 L43 N44 V70 T71 C220L42-Q157 HydrophobicContact CD1-CB 4.1Å; L42-Q157 HydrophobicContact CD1-CG 4.4Å; L43-Q157 CarbonylContact O-C 3.56Å; L43-Q157 VanDerWaalsContact O-CA 3.32Å; L43-Q157 WeakPolarHBondContact O-CA 3.39Å; N44-Q157 WeakPolarHBondContact OD1-CG 3.13Å; N44-Q157 PolarHBondContact OD1-NE2 2.86Å; N44-Q157 VanDerWaalsContact OD1-NE2 3.09Å; V70-Q157 CarbonylContact C-O 3.51Å; V70-Q157 WeakPolarHBondContact CA-O 3.4Å; T71-Q157 PolarHBondContact N-O 3.5Å; T71-Q157 PolarHBondContact O-N 2.9Å; Q157-C220 HydrophobicContact CG-CB 4.26Å
158I93.9Very high87Confident0 Ų048.6 Ų48.60%024%0.241CC..EExtended strand (participates in β ladder)trans-105.9118.9170.2-48.7172.2000108L42 L43 V45 V55 I144 L146 L160L42-I158 CarbonylContact C-O 3.56Å; L42-I158 WeakPolarHBondContact CA-O 3.46Å; L43-I158 HydrophobicContact CB-CB 4.34Å; L43-I158 PolarHBondContact N-O 3.28Å; L43-I158 PolarHBondContact O-N 3.03Å; V45-I158 HydrophobicContact CB-CD1 4.37Å; V45-I158 HydrophobicContact CG2-CD1 3.55Å; V45-I158 HydrophobicContact CG2-CG1 4.11Å; V55-I158 HydrophobicContact CB-CD1 4.33Å; V55-I158 HydrophobicContact CG2-CD1 3.71Å; I144-I158 HydrophobicContact CD1-CG2 3.6Å; I144-I158 HydrophobicContact CG2-CD1 4.17Å; L146-I158 HydrophobicContact CD1-CD1 3.28Å; L146-I158 HydrophobicContact CD1-CG1 3.85Å; L146-I158 HydrophobicContact CD2-CG1 4.46Å; I158-L160 HydrophobicContact CG2-CD2 4.25Å; I158-L160 HydrophobicContact CG2-CG 4.11Å
159R93.6Very high86.8Confident8 Ų849.4 Ų49.43%0.0325%0.248CC..EExtended strand (participates in β ladder)trans-104.5128.8172.1158.8179.5-17566.74.6109.1K41 L42 A68 V69 E164 T261 I262K41-R159 CarbonylContact O-C 3.59Å; K41-R159 WeakPolarHBondContact O-CA 3.41Å; L42-R159 HydrophobicContact CD1-CB 4.04Å; A68-R159 CarbonylContact C-O 3.53Å; A68-R159 WeakPolarHBondContact CA-O 3.46Å; V69-R159 HydrophobicContact CB-CB 4.1Å; V69-R159 HydrophobicContact CB-CG 4.3Å; V69-R159 HydrophobicContact CG2-CG 4.46Å; V69-R159 PolarHBondContact N-O 2.83Å; V69-R159 PolarHBondContact O-N 3.39Å; R159-E164 IonicContact CZ-OE1 2.78Å; R159-E164 IonicContact NH2-OE1 3.38Å; R159-E164 PolarHBondContact NH2-OE1 2.76Å; R159-E164 IonicContact NH2-OE2 2.91Å; R159-T261 PolarHBondContact NH1-O 2.87Å; R159-T261 PolarHBondContact NH2-O 3.05Å; R159-I262 PolarHBondContact NH1-O 3.1Å; R159-I262 VanDerWaalsContact NH1-O 3.13Å
160L93.4Very high86.5Confident1 Ų152.2 Ų52.21%0.00526%0.256CS..EExtended strand (participates in β ladder)trans-125.2126.7176.6-65.1177.1000109.7L34 L36 P40 K41 F57 F66 A68 I144 I158L34-L160 HydrophobicContact CD2-CD1 4.03Å; L36-L160 HydrophobicContact CD1-CB 3.96Å; L36-L160 HydrophobicContact CD1-CD1 4.2Å; L36-L160 HydrophobicContact CD2-CB 3.71Å; L36-L160 HydrophobicContact CD2-CD1 4.08Å; P40-L160 WeakPolarHBondContact CA-O 3.5Å; K41-L160 PolarHBondContact N-O 3.18Å; K41-L160 PolarHBondContact O-N 3.1Å; F57-L160 HydrophobicContact CB-CD1 4.25Å; F57-L160 HydrophobicContact CD1-CD1 3.99Å; F57-L160 HydrophobicContact CG-CD1 4.06Å; F66-L160 HydrophobicContact CE2-CD2 4.05Å; F66-L160 HydrophobicContact CZ-CD2 3.77Å; A68-L160 HydrophobicContact CB-CD2 3.78Å; I144-L160 HydrophobicContact CD1-CD2 3.6Å; I158-L160 HydrophobicContact CG2-CD2 4.25Å; I158-L160 HydrophobicContact CG2-CG 4.11Å
161A91.5Very high86.4Confident5 Ų553.3 Ų53.34%0.04126%0.261CS..EExtended strand (participates in β ladder)trans-138.4147.3179.700000111.1P40 F66 R67 E164P40-A161 HydrophobicContact CB-CB 4.14Å; F66-A161 WeakPolarHBondContact CA-O 3.43Å; R67-A161 PolarHBondContact N-O 3.1Å; R67-A161 PolarHBondContact O-N 3.33Å; A161-E164 HydrophobicContact CB-CB 4.37Å
162I91.1Very high86.3Confident6 Ų646.9 Ų46.93%0.03123%0.227CC..EExtended strand (participates in β ladder)trans-122157.6168.661.5172.1000110.3H37 L59 S65 F66 E164H37-I162 WeakPolarHBondContact O-CD1 3.31Å; H37-I162 VanDerWaalsContact O-CG1 3.24Å; H37-I162 WeakPolarHBondContact O-CG1 3.42Å; L59-I162 HydrophobicContact CD2-CG2 3.91Å; L59-I162 HydrophobicContact CG-CG2 4.09Å; S65-I162 CarbonylContact O-C 3.6Å; S65-I162 WeakPolarHBondContact O-CA 3.26Å; F66-I162 HydrophobicContact CD2-CG2 4.1Å; I162-E164 PolarHBondContact O-N 3.28Å
163K86.8Confident86.1Confident93 Ų9344 Ų4440%0.40423%0.227SC..SBendtrans58.912.3-177.2-60.8-176.7-179.2167.70115.8D38 Q61 S65 K165D38-K163 VanDerWaalsContact CG-NZ 3.34Å; D38-K163 WeakPolarHBondContact OD1-CE 3.41Å; D38-K163 IonicContact OD1-NZ 3.79Å; D38-K163 PolarHBondContact OD1-NZ 2.78Å; D38-K163 VanDerWaalsContact OD1-NZ 3.14Å; D38-K163 IonicContact OD2-NZ 2.86Å; D38-K163 PolarHBondContact OD2-NZ 2.79Å; Q61-K163 VanDerWaalsContact CD-CE 3.48Å; Q61-K163 VanDerWaalsContact CD-NZ 3.34Å; S65-K163 PolarHBondContact O-N 2.87Å; S65-K163 WeakPolarHBondContact OG-CA 3.44Å; S65-K163 PolarHBondContact OG-N 2.85Å; K163-K165 PolarHBondContact O-N 3.1Å
164E81.5Confident86Confident32 Ų3244.8 Ų44.815%0.1523%0.226CC..  trans-76.4116.2172.4-164.5171.2-132.500108S65 R67 R159 A161 I162S65-E164 PolarHBondContact OG-N 3.21Å; S65-E164 PolarHBondContact OG-O 2.8Å; R67-E164 WeakPolarHBondContact CD-OE2 3.38Å; R67-E164 IonicContact NH1-OE2 3.43Å; R67-E164 PolarHBondContact NH1-OE2 2.94Å; R159-E164 IonicContact CZ-OE1 2.78Å; R159-E164 IonicContact NH2-OE1 3.38Å; R159-E164 PolarHBondContact NH2-OE1 2.76Å; R159-E164 IonicContact NH2-OE2 2.91Å; A161-E164 HydrophobicContact CB-CB 4.37Å; I162-E164 PolarHBondContact O-N 3.28Å
165K71.6Confident86Confident180 Ų18048.2 Ų48.278%0.78324%0.239SC*.  trans-91.8-37.7-178.5-71.5-174.1178.6-178.70113.1K163K163-K165 PolarHBondContact O-N 3.1Å
166H77.8Confident86Confident122 Ų12246.2 Ų46.257%0.56523%0.23SC*.SBendtrans-126129.4-177-61.6-61.3000110L171H166-L171 HydrophobicContact CB-CD1 4.38Å; H166-L171 HydrophobicContact CB-CD2 4.38Å; H166-L171 HydrophobicContact CB-CG 4.4Å
167S82.9Confident86.1Confident9 Ų947.1 Ų47.16%0.06324%0.236CC..  trans-79.7139.5174.8147.20000110.2R67 A169 Q170 L171 E263R67-S167 VanDerWaalsContact CZ-CB 3.44Å; R67-S167 VanDerWaalsContact NH1-CB 3.29Å; R67-S167 VanDerWaalsContact NH2-CB 3.35Å; R67-S167 PolarHBondContact NH2-OG 3.46Å; S167-A169 PolarHBondContact O-N 3.04Å; S167-A169 VanDerWaalsContact OG-CB 3.32Å; S167-A169 WeakPolarHBondContact OG-CB 3.41Å; S167-A169 PolarHBondContact OG-N 2.76Å; S167-Q170 WeakPolarHBondContact O-CB 3.38Å; S167-Q170 PolarHBondContact O-N 2.86Å; S167-Q170 PolarHBondContact OG-N 2.88Å; S167-L171 WeakPolarHBondContact O-CG 3.43Å; S167-L171 PolarHBondContact O-N 2.82Å; S167-E263 PolarHBondContact OG-OE1 2.82Å
168L83.7Confident86Confident0 Ų052.6 Ų52.60%026%0.255CS..Hα-helixtrans-56.7-35.8170.4-173.562.2000111Q170 L171 L172 I201 L204 A256 R258 E263 V265L168-Q170 VanDerWaalsContact C-N 3.27Å; L168-Q170 PolarHBondContact O-N 2.03Å; L168-L171 CarbonylContact O-C 3.57Å; L168-L171 PolarHBondContact O-N 2.8Å; L168-L171 VanDerWaalsContact O-N 3.14Å; L168-L172 HydrophobicContact CD1-CD1 3.82Å; L168-L172 HydrophobicContact CD1-CG 4.15Å; L168-L172 HydrophobicContact CD2-CD1 4.46Å; L168-L172 HydrophobicContact CG-CD1 3.86Å; L168-L172 HydrophobicContact CG-CG 4.44Å; L168-L172 PolarHBondContact O-N 2.78Å; L168-I201 HydrophobicContact CD1-CD1 4.13Å; L168-L204 HydrophobicContact CD1-CD1 3.81Å; L168-L204 HydrophobicContact CD2-CD1 4.06Å; L168-A256 HydrophobicContact CD2-CB 4.11Å; L168-R258 HydrophobicContact CD2-CB 3.94Å; L168-E263 HydrophobicContact CB-CB 4.29Å; L168-E263 VanDerWaalsContact CB-CD 3.41Å; L168-E263 HydrophobicContact CB-CG 3.9Å; L168-E263 VanDerWaalsContact CB-OE2 3.25Å; L168-E263 WeakPolarHBondContact CB-OE2 3.49Å; L168-E263 VanDerWaalsContact N-CD 3.26Å; L168-E263 PolarHBondContact N-OE1 3.22Å; L168-E263 PolarHBondContact N-OE2 3.44Å; L168-V265 HydrophobicContact CB-CG2 3.79Å; L168-V265 HydrophobicContact CD2-CB 4.45Å; L168-V265 HydrophobicContact CD2-CG2 3.88Å; L168-V265 HydrophobicContact CG-CG2 3.79Å
169A84.2Confident86Confident24 Ų2454.6 Ų54.620%0.19827%0.267CS..Hα-helixtrans-64.8-29.9176.900000113S167 R175 V265S167-A169 PolarHBondContact O-N 3.04Å; S167-A169 VanDerWaalsContact OG-CB 3.32Å; S167-A169 WeakPolarHBondContact OG-CB 3.41Å; S167-A169 PolarHBondContact OG-N 2.76Å; A169-R175 PolarHBondContact O-NH2 3.13Å; A169-R175 VanDerWaalsContact O-NH2 3.13Å; A169-V265 HydrophobicContact CB-CG1 4.27Å; A169-V265 HydrophobicContact CB-CG2 3.91Å
170Q83.6Confident85.8Confident131 Ų13161.8 Ų61.861%0.61229%0.294SS*.Hα-helixtrans-78.3-32.7172.9-69.5171.6-23.800112.1S167 L168 L172S167-Q170 WeakPolarHBondContact O-CB 3.38Å; S167-Q170 PolarHBondContact O-N 2.86Å; S167-Q170 PolarHBondContact OG-N 2.88Å; L168-Q170 VanDerWaalsContact C-N 3.27Å; L168-Q170 PolarHBondContact O-N 2.03Å; Q170-L172 VanDerWaalsContact C-N 3.27Å
171L80.8Confident85.4Confident54 Ų5464.5 Ų64.528%0.28331%0.307SS..Hα-helixtrans-75.7-17177.3-64.4173.7000112.6H166 S167 L168 P173 L195 I201H166-L171 HydrophobicContact CB-CD1 4.38Å; H166-L171 HydrophobicContact CB-CD2 4.38Å; H166-L171 HydrophobicContact CB-CG 4.4Å; S167-L171 WeakPolarHBondContact O-CG 3.43Å; S167-L171 PolarHBondContact O-N 2.82Å; L168-L171 CarbonylContact O-C 3.57Å; L168-L171 PolarHBondContact O-N 2.8Å; L168-L171 VanDerWaalsContact O-N 3.14Å; L171-P173 VanDerWaalsContact C-CD 3.4Å; L171-P173 WeakPolarHBondContact O-CD 3.13Å; L171-L195 WeakPolarHBondContact O-CD1 2.99Å; L171-I201 HydrophobicContact CB-CD1 4.15Å; L171-I201 HydrophobicContact CD1-CD1 3.96Å
172L82.3Confident85Confident1 Ų165.9 Ų65.91%0.00532%0.316CS..  trans-122.370.9179.4-58.8176.8000111.6L168 Q170 R175 L195 E198 A256 F267L168-L172 HydrophobicContact CD1-CD1 3.82Å; L168-L172 HydrophobicContact CD1-CG 4.15Å; L168-L172 HydrophobicContact CD2-CD1 4.46Å; L168-L172 HydrophobicContact CG-CD1 3.86Å; L168-L172 HydrophobicContact CG-CG 4.44Å; L168-L172 PolarHBondContact O-N 2.78Å; Q170-L172 VanDerWaalsContact C-N 3.27Å; L172-R175 PolarHBondContact O-NE 2.77Å; L172-L195 HydrophobicContact CD2-CD1 4.24Å; L172-E198 HydrophobicContact CD2-CG 4.34Å; L172-A256 HydrophobicContact CD1-CB 3.4Å; L172-A256 VanDerWaalsContact CD1-CB 3.4Å; L172-F267 HydrophobicContact CD1-CE2 4.06Å; L172-F267 HydrophobicContact CD1-CZ 4.27Å
173P78.8Confident84.1Confident85 Ų8569.6 Ų69.655%0.55235%0.348SS*.  trans-63.1-40.4175.321.8-36.8000114.3L171 L195L171-P173 VanDerWaalsContact C-CD 3.4Å; L171-P173 WeakPolarHBondContact O-CD 3.13Å; P173-L195 HydrophobicContact CG-CD1 3.99Å
174N83.9Confident83.3Confident96 Ų9672.5 Ų72.551%0.51337%0.368SS..  trans-91.4126.9-179.4-65.9-19.1000109.7D193N174-D193 HydrophobicContact CB-CB 3.91Å
175R88Confident82.7Confident71 Ų7172.7 Ų72.727%0.26837%0.37SS..  trans-132.318.9-171.2-60.5-165.5-165.6170.29.2113.4A169 L172 P266 F267 D268A169-R175 PolarHBondContact O-NH2 3.13Å; A169-R175 VanDerWaalsContact O-NH2 3.13Å; L172-R175 PolarHBondContact O-NE 2.77Å; R175-P266 VanDerWaalsContact CD-O 3.24Å; R175-P266 WeakPolarHBondContact CD-O 3.44Å; R175-P266 PolarHBondContact NH1-O 2.85Å; R175-F267 HydrophobicContact CB-CB 4.44Å; R175-F267 HydrophobicContact CB-CD1 4.08Å; R175-F267 HydrophobicContact CB-CE1 4.49Å; R175-F267 HydrophobicContact CB-CG 4.15Å; R175-F267 WeakPolarHBondContact O-CD1 3.23Å; R175-D268 WeakPolarHBondContact O-CB 3.41Å; R175-D268 PolarHBondContact O-N 2.93Å
176G91.1Very high82.8Confident16 Ų1664.7 Ų64.717%0.16534%0.339CS..  trans-64.8137.2-178.600000111.5W192 D193 D268G176-W192 WeakPolarHBondContact O-CA 3.46Å; G176-D193 VanDerWaalsContact CA-OD2 3.26Å; G176-D193 WeakPolarHBondContact CA-OD2 3.47Å; G176-D193 PolarHBondContact N-OD2 2.95Å; G176-D193 PolarHBondContact O-N 2.94Å; G176-D268 WeakPolarHBondContact CA-OD2 3.38Å
177V93.5Very high83Confident20 Ų2059.3 Ų59.312%0.12132%0.315CS..EExtended strand (participates in β ladder)trans-122.1132.5171.4177.40000108.5I190 Y191 W192 L252 V254 F267 D268 A270V177-I190 HydrophobicContact CG1-CG2 4.1Å; V177-Y191 WeakPolarHBondContact CA-O 3.45Å; V177-W192 HydrophobicContact CG2-CB 4.25Å; V177-L252 HydrophobicContact CG1-CD2 3.82Å; V177-V254 HydrophobicContact CG1-CG2 4.08Å; V177-V254 HydrophobicContact CG2-CB 4.02Å; V177-V254 HydrophobicContact CG2-CG2 3.9Å; V177-F267 HydrophobicContact CG2-CB 3.88Å; V177-F267 HydrophobicContact CG2-CD1 4.19Å; V177-D268 WeakPolarHBondContact CB-O 3.1Å; V177-D268 WeakPolarHBondContact CG2-O 3.31Å; V177-A270 HydrophobicContact CG1-CB 4.4Å
178R92.8Very high83.2Confident151 Ų15159 Ų5957%0.5731%0.312SS*.EExtended strand (participates in β ladder)trans-126.9138.8177.9-68.3177.7-73.6172.7-5.3109.3Y191R178-Y191 PolarHBondContact N-O 2.88Å; R178-Y191 PolarHBondContact O-N 2.73Å
179V92.7Very high83.4Confident41 Ų4160 Ų6025%0.24832%0.319CS..EExtended strand (participates in β ladder)trans-119.2133.5178-176.30000108.4V188 I190 L252 A270 F272V179-V188 HydrophobicContact CG1-CG1 3.26Å; V179-I190 HydrophobicContact CG2-CG1 4.49Å; V179-L252 HydrophobicContact CG2-CD2 3.76Å; V179-A270 HydrophobicContact CG2-CB 3.8Å; V179-F272 HydrophobicContact CB-CD1 4.41Å; V179-F272 HydrophobicContact CG1-CB 4.28Å; V179-F272 HydrophobicContact CG1-CD1 3.74Å; V179-F272 HydrophobicContact CG1-CE1 4.21Å; V179-F272 HydrophobicContact CG1-CG 3.99Å; V179-F272 HydrophobicContact CG2-CD1 4.24Å
180R89.8Confident83.7Confident160 Ų16058.9 Ų58.960%0.60431%0.309SS*.EExtended strand (participates in β ladder)trans-124.7133.3171.3-66.7-174.6169174.4-4.5109.3V188 T189 Y191R180-V188 CarbonylContact O-C 3.6Å; R180-V188 WeakPolarHBondContact O-CA 3.45Å; R180-T189 PolarHBondContact N-O 2.83Å; R180-T189 PolarHBondContact O-N 3.48Å; R180-Y191 HydrophobicContact CB-CE2 4.03Å; R180-Y191 HydrophobicContact CG-CD2 4.44Å; R180-Y191 HydrophobicContact CG-CE2 3.92Å
181Q86.2Confident84.1Confident58 Ų5855.9 Ų55.927%0.27129%0.293SS..EExtended strand (participates in β ladder)trans-99.4133170.3-169.616823.600109.5G186 S187 V188 T273 T275Q181-G186 PolarHBondContact NE2-O 2.97Å; Q181-S187 CarbonylContact C-O 3.6Å; Q181-S187 WeakPolarHBondContact CA-O 3.39Å; Q181-V188 HydrophobicContact CB-CG2 4.48Å; Q181-V188 HydrophobicContact CG-CG2 4.14Å; Q181-T273 PolarHBondContact OE1-O 3.15Å; Q181-T275 VanDerWaalsContact OE1-N 3.08Å; Q181-T275 PolarHBondContact OE1-OG1 3.12Å
182S81.1Confident84.5Confident33 Ų3353.7 Ų53.723%0.23128%0.281CS..  trans-73.8130.2172.8168.70000110.2D184 D185 G186 S187 N276S182-D184 VanDerWaalsContact C-N 3.28Å; S182-D184 PolarHBondContact OG-N 3.14Å; S182-D185 WeakPolarHBondContact CB-OD1 3.42Å; S182-D185 PolarHBondContact OG-N 2.95Å; S182-D185 PolarHBondContact OG-OD1 2.8Å; S182-G186 VanDerWaalsContact O-CA 3.22Å; S182-G186 WeakPolarHBondContact O-CA 2.95Å; S182-G186 PolarHBondContact O-N 3.1Å; S182-S187 WeakPolarHBondContact CB-OG 3.42Å; S182-S187 PolarHBondContact N-O 2.83Å; S182-N276 PolarHBondContact O-ND2 3.19Å
183A73.5Confident84.6Confident85 Ų8556 Ų5670%0.70229%0.293SS*.THydrogen-bonded Turntrans-73.2-21.6176.800000112.7N276A183-N276 VanDerWaalsContact C-ND2 3.27Å; A183-N276 PolarHBondContact O-ND2 2.81Å
184D69.4Low84.2Confident153 Ų15353.9 Ų53.982%0.81828%0.276SS*.THydrogen-bonded Turntrans-86.9-45.3-172.4-59.3-34.4000112.2S182S182-D184 VanDerWaalsContact C-N 3.28Å; S182-D184 PolarHBondContact OG-N 3.14Å
185D69.3Low83.2Confident36 Ų3651.5 Ų51.519%0.19326%0.263CS..THydrogen-bonded Turntrans-121.21.7-174.770.8-8.4000113.3S182 S187 S279S182-D185 WeakPolarHBondContact CB-OD1 3.42Å; S182-D185 PolarHBondContact OG-N 2.95Å; S182-D185 PolarHBondContact OG-OD1 2.8Å; D185-S187 VanDerWaalsContact CG-OG 3.3Å; D185-S187 PolarHBondContact O-N 3Å; D185-S187 VanDerWaalsContact OD1-CB 3.23Å; D185-S187 WeakPolarHBondContact OD1-CB 3.22Å; D185-S187 PolarHBondContact OD1-N 3.23Å; D185-S187 PolarHBondContact OD1-OG 3.48Å; D185-S187 PolarHBondContact OD2-OG 3.02Å; D185-S279 VanDerWaalsContact CA-OG 3.23Å; D185-S279 WeakPolarHBondContact CA-OG 3.05Å; D185-S279 PolarHBondContact O-OG 2.83Å
186G74.4Confident81.7Confident13 Ų1356.6 Ų56.613%0.13429%0.29CS..  trans67.94.2179.100000114.4Q181 S182 N276Q181-G186 PolarHBondContact NE2-O 2.97Å; S182-G186 VanDerWaalsContact O-CA 3.22Å; S182-G186 WeakPolarHBondContact O-CA 2.95Å; S182-G186 PolarHBondContact O-N 3.1Å; G186-N276 PolarHBondContact N-ND2 3.31Å
187S81.1Confident80.1Confident9 Ų959.2 Ų59.26%0.06331%0.305CS..  trans-63.1149177.166.20000110.8Q181 S182 D185 L241Q181-S187 CarbonylContact C-O 3.6Å; Q181-S187 WeakPolarHBondContact CA-O 3.39Å; S182-S187 WeakPolarHBondContact CB-OG 3.42Å; S182-S187 PolarHBondContact N-O 2.83Å; D185-S187 VanDerWaalsContact CG-OG 3.3Å; D185-S187 PolarHBondContact O-N 3Å; D185-S187 VanDerWaalsContact OD1-CB 3.23Å; D185-S187 WeakPolarHBondContact OD1-CB 3.22Å; D185-S187 PolarHBondContact OD1-N 3.23Å; D185-S187 PolarHBondContact OD1-OG 3.48Å; D185-S187 PolarHBondContact OD2-OG 3.02Å; S187-L241 CarbonylContact C-O 3.58Å; S187-L241 WeakPolarHBondContact CA-O 3.25Å
188V86.4Confident78.3Confident1 Ų158.4 Ų58.41%0.00630%0.301CS..EExtended strand (participates in β ladder)trans-115.1112.8-177.3178.80000108.6V179 R180 Q181 T240 L241 L244 F272 T274V179-V188 HydrophobicContact CG1-CG1 3.26Å; R180-V188 CarbonylContact O-C 3.6Å; R180-V188 WeakPolarHBondContact O-CA 3.45Å; Q181-V188 HydrophobicContact CB-CG2 4.48Å; Q181-V188 HydrophobicContact CG-CG2 4.14Å; V188-T240 WeakPolarHBondContact O-CA 2.98Å; V188-L241 PolarHBondContact N-O 3.04Å; V188-L241 PolarHBondContact O-N 3.2Å; V188-L244 HydrophobicContact CB-CD1 4.28Å; V188-L244 HydrophobicContact CG2-CD1 4Å; V188-F272 HydrophobicContact CB-CE2 4.23Å; V188-F272 HydrophobicContact CB-CZ 4.42Å; V188-F272 HydrophobicContact CG1-CD1 4.48Å; V188-F272 HydrophobicContact CG1-CD2 4.18Å; V188-F272 HydrophobicContact CG1-CE1 4.12Å; V188-F272 HydrophobicContact CG1-CE2 3.82Å; V188-F272 HydrophobicContact CG1-CZ 3.77Å; V188-F272 HydrophobicContact CG2-CD2 4.11Å; V188-F272 HydrophobicContact CG2-CE2 3.73Å; V188-F272 HydrophobicContact CG2-CZ 4.4Å; V188-T274 HydrophobicContact CG2-CG2 4.5Å
189T88.1Confident76.5Confident22 Ų2256 Ų5614%0.13531%0.313CS..EExtended strand (participates in β ladder)trans-97.7122175.2-54.10000110.2R180 Y191 T238 L239 T240R180-T189 PolarHBondContact N-O 2.83Å; R180-T189 PolarHBondContact O-N 3.48Å; T189-Y191 HydrophobicContact CG2-CD2 4.16Å; T189-Y191 HydrophobicContact CG2-CE1 4.21Å; T189-Y191 HydrophobicContact CG2-CE2 3.48Å; T189-Y191 VanDerWaalsContact CG2-CE2 3.48Å; T189-Y191 VanDerWaalsContact CG2-CZ 3.5Å; T189-T238 HydrophobicContact CG2-CG2 4.27Å; T189-L239 CarbonylContact C-O 3.58Å; T189-L239 WeakPolarHBondContact CA-O 3Å; T189-T240 PolarHBondContact OG1-OG1 2.73Å; T189-T240 VanDerWaalsContact OG1-OG1 3.09Å
190I91.3Very high74.9Confident0 Ų058 Ų580%033%0.334CS..EExtended strand (participates in β ladder)trans-96.5129.5175.5-57.3165.6000107.7V177 V179 W192 F208 T238 L239 L241 L252V177-I190 HydrophobicContact CG1-CG2 4.1Å; V179-I190 HydrophobicContact CG2-CG1 4.49Å; I190-W192 HydrophobicContact CG2-CE3 4.31Å; I190-F208 HydrophobicContact CD1-CD1 4.39Å; I190-F208 HydrophobicContact CG2-CD1 4.23Å; I190-F208 HydrophobicContact CG2-CE1 4.03Å; I190-T238 CarbonylContact O-C 3.57Å; I190-T238 WeakPolarHBondContact O-CA 3.44Å; I190-L239 HydrophobicContact CB-CB 4.39Å; I190-L239 HydrophobicContact CD1-CD2 4.3Å; I190-L239 PolarHBondContact N-O 2.89Å; I190-L239 PolarHBondContact O-N 3.28Å; I190-L241 HydrophobicContact CD1-CD1 3.88Å; I190-L241 HydrophobicContact CD1-CG 4.36Å; I190-L252 HydrophobicContact CB-CD2 4.38Å; I190-L252 HydrophobicContact CD1-CD1 3.74Å; I190-L252 HydrophobicContact CD1-CD2 3.73Å; I190-L252 HydrophobicContact CD1-CG 4.4Å; I190-L252 HydrophobicContact CG1-CD2 3.81Å; I190-L252 HydrophobicContact CG2-CD2 3.66Å
191Y91.1Very high74.1Confident68 Ų6850.9 Ų50.927%0.26731%0.307SS..EExtended strand (participates in β ladder)trans-116.2138.5172.9-56.5-100.8000107.6V177 R178 R180 T189 T238V177-Y191 WeakPolarHBondContact CA-O 3.45Å; R178-Y191 PolarHBondContact N-O 2.88Å; R178-Y191 PolarHBondContact O-N 2.73Å; R180-Y191 HydrophobicContact CB-CE2 4.03Å; R180-Y191 HydrophobicContact CG-CD2 4.44Å; R180-Y191 HydrophobicContact CG-CE2 3.92Å; T189-Y191 HydrophobicContact CG2-CD2 4.16Å; T189-Y191 HydrophobicContact CG2-CE1 4.21Å; T189-Y191 HydrophobicContact CG2-CE2 3.48Å; T189-Y191 VanDerWaalsContact CG2-CE2 3.48Å; T189-Y191 VanDerWaalsContact CG2-CZ 3.5Å; Y191-T238 HydrophobicContact CD1-CG2 3.37Å; Y191-T238 HydrophobicContact CE1-CG2 3.32Å; Y191-T238 HydrophobicContact CG-CG2 4.24Å
192W89.4Confident73.3Confident8 Ų853.1 Ų53.13%0.0334%0.336CS..EExtended strand (participates in β ladder)trans-133.2153.7172.362.499.2000109.6G176 V177 I190 Q194 Y206 F208 I231 R236 L239 F267G176-W192 WeakPolarHBondContact O-CA 3.46Å; V177-W192 HydrophobicContact CG2-CB 4.25Å; I190-W192 HydrophobicContact CG2-CE3 4.31Å; W192-Q194 PolarHBondContact O-N 3.31Å; W192-Y206 AromaticContact CD1-CD1 3.77Å; W192-Y206 AromaticContact CD1-CE1 3.52Å; W192-Y206 AromaticContact CD1-CZ 3.84Å; W192-Y206 HydrophobicContact CZ2-CD2 4.25Å; W192-Y206 HydrophobicContact CZ2-CG 4.37Å; W192-Y206 AromaticContact NE1-CD1 3.5Å; W192-Y206 AromaticContact NE1-CD2 3.57Å; W192-Y206 AromaticContact NE1-CE1 3.43Å; W192-Y206 AromaticContact NE1-CE2 3.51Å; W192-Y206 AromaticContact NE1-CG 3.56Å; W192-Y206 AromaticContact NE1-CZ 3.43Å; W192-F208 HydrophobicContact CD2-CE1 4.07Å; W192-F208 AromaticContact CD2-CZ 3.85Å; W192-F208 HydrophobicContact CD2-CZ 3.85Å; W192-F208 AromaticContact CE2-CZ 3.95Å; W192-F208 AromaticContact CE3-CE1 3.58Å; W192-F208 HydrophobicContact CE3-CE1 3.58Å; W192-F208 AromaticContact CE3-CZ 3.56Å; W192-F208 HydrophobicContact CE3-CZ 3.56Å; W192-F208 HydrophobicContact CH2-CE1 4.36Å; W192-F208 HydrophobicContact CH2-CE2 4.35Å; W192-F208 AromaticContact CH2-CZ 3.58Å; W192-F208 HydrophobicContact CH2-CZ 3.58Å; W192-F208 AromaticContact CZ2-CZ 3.85Å; W192-F208 HydrophobicContact CZ2-CZ 3.85Å; W192-F208 AromaticContact CZ3-CE1 3.74Å; W192-F208 HydrophobicContact CZ3-CE1 3.74Å; W192-F208 HydrophobicContact CZ3-CE2 4.46Å; W192-F208 AromaticContact CZ3-CZ 3.41Å; W192-F208 HydrophobicContact CZ3-CZ 3.41Å; W192-F208 VanDerWaalsContact CZ3-CZ 3.41Å; W192-I231 HydrophobicContact CH2-CD1 3.87Å; W192-R236 VanDerWaalsContact CZ2-O 3.24Å; W192-R236 WeakPolarHBondContact CZ2-O 3.06Å; W192-L239 HydrophobicContact CH2-CB 4.4Å; W192-L239 HydrophobicContact CZ3-CB 3.94Å; W192-F267 HydrophobicContact CB-CD1 4.34Å; W192-F267 HydrophobicContact CB-CE1 4.4Å
193D84.1Confident73.3Confident50 Ų5053.4 Ų53.427%0.26734%0.335SS..  trans-67.8133177.7-67.3-26000110.3N174 G176 F267N174-D193 HydrophobicContact CB-CB 3.91Å; G176-D193 VanDerWaalsContact CA-OD2 3.26Å; G176-D193 WeakPolarHBondContact CA-OD2 3.47Å; G176-D193 PolarHBondContact N-OD2 2.95Å; G176-D193 PolarHBondContact O-N 2.94Å; D193-F267 WeakPolarHBondContact O-CE1 3.47Å
194Q71.1Confident73.9Confident41 Ų4149.5 Ų49.519%0.19230%0.302CS..  trans-127.4137.3178.8-159-173.9500108.7W192 E198 R237W192-Q194 PolarHBondContact O-N 3.31Å; Q194-E198 VanDerWaalsContact CA-OE1 3.31Å; Q194-E198 WeakPolarHBondContact CA-OE1 3.44Å; Q194-E198 VanDerWaalsContact CD-OE2 3.29Å; Q194-E198 HydrophobicContact CG-CG 4.36Å; Q194-E198 WeakPolarHBondContact CG-OE1 3.41Å; Q194-E198 WeakPolarHBondContact CG-OE2 3.23Å; Q194-E198 PolarHBondContact NE2-OE2 2.92Å; Q194-R237 HydrophobicContact CB-CG 4.34Å
195L62.7Low74.8Confident46 Ų4645.6 Ų45.624%0.24128%0.279CS..  trans-88.9142.9174.8-75.1158000111.9L171 L172 P173 S197 E198L171-L195 WeakPolarHBondContact O-CD1 2.99Å; L172-L195 HydrophobicContact CD2-CD1 4.24Å; P173-L195 HydrophobicContact CG-CD1 3.99Å; L195-S197 PolarHBondContact O-N 3.02Å; L195-E198 HydrophobicContact CB-CG 4.26Å; L195-E198 PolarHBondContact N-OE1 3.21Å; L195-E198 WeakPolarHBondContact O-CB 3.12Å; L195-E198 WeakPolarHBondContact O-CG 3.42Å; L195-E198 PolarHBondContact O-N 3.25Å
196E57.8Low75.8Confident178 Ų17844 Ų4483%0.83227%0.27SS*.G310 helixtrans-59.5-28.3174.1-65.4-173.9161.200112.2E198E196-E198 VanDerWaalsContact C-N 3.26Å; E196-E198 PolarHBondContact O-N 2.79Å
197S57.6Low76.6Confident70 Ų7043.3 Ų43.349%0.4926%0.264SS..G310 helixtrans-76.9-1176.763.90000114.6L195 A199 A200L195-S197 PolarHBondContact O-N 3.02Å; S197-A199 PolarHBondContact O-N 2.82Å; S197-A200 VanDerWaalsContact O-CB 3.23Å; S197-A200 WeakPolarHBondContact O-CB 3.31Å; S197-A200 PolarHBondContact O-N 2.96Å
198E55.1Low77.2Confident4 Ų442.9 Ų42.92%0.01926%0.261CS..G310 helixtrans-65.3-20.2176.3-77.5177.7-143.400113.3L172 Q194 L195 E196 A200 I201 L204 Y206L172-E198 HydrophobicContact CD2-CG 4.34Å; Q194-E198 VanDerWaalsContact CA-OE1 3.31Å; Q194-E198 WeakPolarHBondContact CA-OE1 3.44Å; Q194-E198 VanDerWaalsContact CD-OE2 3.29Å; Q194-E198 HydrophobicContact CG-CG 4.36Å; Q194-E198 WeakPolarHBondContact CG-OE1 3.41Å; Q194-E198 WeakPolarHBondContact CG-OE2 3.23Å; Q194-E198 PolarHBondContact NE2-OE2 2.92Å; L195-E198 HydrophobicContact CB-CG 4.26Å; L195-E198 PolarHBondContact N-OE1 3.21Å; L195-E198 WeakPolarHBondContact O-CB 3.12Å; L195-E198 WeakPolarHBondContact O-CG 3.42Å; L195-E198 PolarHBondContact O-N 3.25Å; E196-E198 VanDerWaalsContact C-N 3.26Å; E196-E198 PolarHBondContact O-N 2.79Å; E198-A200 PolarHBondContact O-N 2.88Å; E198-I201 PolarHBondContact O-N 2.63Å; E198-L204 HydrophobicContact CG-CD2 3.98Å; E198-Y206 PolarHBondContact OE1-OH 2.97Å; E198-Y206 PolarHBondContact OE2-OH 2.95Å
199A54.1Low77.5Confident100 Ų10042.9 Ų42.983%0.82626%0.261SS*.G310 helixtrans-56.3-18.7167.200000113S197S197-A199 PolarHBondContact O-N 2.82Å
200A60Low77.7Confident84 Ų8441.9 Ų41.969%0.69426%0.255SS*.G310 helixtrans-86.3-12.1173.500000114S197 E198S197-A200 VanDerWaalsContact O-CB 3.23Å; S197-A200 WeakPolarHBondContact O-CB 3.31Å; S197-A200 PolarHBondContact O-N 2.96Å; E198-A200 PolarHBondContact O-N 2.88Å
201I72.1Confident77.8Confident9 Ų942.2 Ų42.25%0.04626%0.257CS..  trans-103.182179.5-49.9-179.2000108L168 L171 E198 D203 L204L168-I201 HydrophobicContact CD1-CD1 4.13Å; L171-I201 HydrophobicContact CB-CD1 4.15Å; L171-I201 HydrophobicContact CD1-CD1 3.96Å; E198-I201 PolarHBondContact O-N 2.63Å; I201-D203 PolarHBondContact O-N 2.05Å; I201-L204 HydrophobicContact CB-CB 4.29Å; I201-L204 HydrophobicContact CG2-CB 3.78Å; I201-L204 HydrophobicContact CG2-CD1 4.46Å; I201-L204 PolarHBondContact O-N 3.27Å
202A69.5Low77.8Confident105 Ų10546.6 Ų46.687%0.86827%0.273SS*.THydrogen-bonded Turntrans-58.4-19.2-172.500000115.1
203D81.6Confident77.8Confident39 Ų3949.8 Ų49.821%0.20930%0.296CS..THydrogen-bonded Turntrans-124.335.3-172.572.6-48.6000112.8I201 R258 P259 S260I201-D203 PolarHBondContact O-N 2.05Å; D203-R258 WeakPolarHBondContact OD1-CG 3.11Å; D203-R258 IonicContact OD1-CZ 3.63Å; D203-R258 IonicContact OD1-NE 3.7Å; D203-R258 PolarHBondContact OD1-NE 2.8Å; D203-R258 IonicContact OD1-NH2 3.48Å; D203-R258 PolarHBondContact OD1-NH2 2.63Å; D203-R258 WeakPolarHBondContact OD2-CG 3.28Å; D203-R258 IonicContact OD2-NE 3.61Å; D203-P259 WeakPolarHBondContact O-CD 3Å; D203-S260 VanDerWaalsContact CG-OG 3.3Å; D203-S260 WeakPolarHBondContact OD2-CA 3.39Å; D203-S260 WeakPolarHBondContact OD2-CB 3.3Å; D203-S260 PolarHBondContact OD2-N 3Å; D203-S260 PolarHBondContact OD2-OG 3.46Å
204L86Confident78.3Confident4 Ų452.2 Ų52.22%0.02131%0.305CS..  trans-85.4132.2176.5-16961.1000111.8L168 E198 I201 Y206 S233 A256L168-L204 HydrophobicContact CD1-CD1 3.81Å; L168-L204 HydrophobicContact CD2-CD1 4.06Å; E198-L204 HydrophobicContact CG-CD2 3.98Å; I201-L204 HydrophobicContact CB-CB 4.29Å; I201-L204 HydrophobicContact CG2-CB 3.78Å; I201-L204 HydrophobicContact CG2-CD1 4.46Å; I201-L204 PolarHBondContact O-N 3.27Å; L204-Y206 HydrophobicContact CD2-CE2 3.99Å; L204-Y206 HydrophobicContact CG-CE2 4.31Å; L204-S233 WeakPolarHBondContact O-CB 3.39Å; L204-S233 PolarHBondContact O-N 2.69Å; L204-A256 HydrophobicContact CD1-CB 4.07Å
205E88.5Confident79.3Confident70 Ų7052.3 Ų52.333%0.32731%0.308SS..EExtended strand (participates in β ladder)trans-122.9137.3172.5-67.7180-175.400110.5I231 A256 F257 P259E205-I231 CarbonylContact C-O 3.48Å; E205-I231 WeakPolarHBondContact CA-O 3.22Å; E205-A256 CarbonylContact O-C 3.56Å; E205-F257 PolarHBondContact N-O 3.5Å; E205-F257 PolarHBondContact O-N 3.46Å; E205-P259 HydrophobicContact CG-CG 4.33Å
206Y90.2Very high80.8Confident2 Ų250.5 Ų50.51%0.00830%0.298CS..EExtended strand (participates in β ladder)trans-100.2127.9171.5-70.2-79.7000109.7W192 E198 L204 S230 I231 F255 A256 F267W192-Y206 AromaticContact CD1-CD1 3.77Å; W192-Y206 AromaticContact CD1-CE1 3.52Å; W192-Y206 AromaticContact CD1-CZ 3.84Å; W192-Y206 HydrophobicContact CZ2-CD2 4.25Å; W192-Y206 HydrophobicContact CZ2-CG 4.37Å; W192-Y206 AromaticContact NE1-CD1 3.5Å; W192-Y206 AromaticContact NE1-CD2 3.57Å; W192-Y206 AromaticContact NE1-CE1 3.43Å; W192-Y206 AromaticContact NE1-CE2 3.51Å; W192-Y206 AromaticContact NE1-CG 3.56Å; W192-Y206 AromaticContact NE1-CZ 3.43Å; E198-Y206 PolarHBondContact OE1-OH 2.97Å; E198-Y206 PolarHBondContact OE2-OH 2.95Å; L204-Y206 HydrophobicContact CD2-CE2 3.99Å; L204-Y206 HydrophobicContact CG-CE2 4.31Å; Y206-S230 CarbonylContact O-C 3.57Å; Y206-S230 VanDerWaalsContact O-CA 3.29Å; Y206-S230 WeakPolarHBondContact O-CA 3.44Å; Y206-I231 PolarHBondContact N-O 2.81Å; Y206-I231 PolarHBondContact O-N 3.21Å; Y206-F255 CarbonylContact C-O 3.56Å; Y206-F255 WeakPolarHBondContact CA-O 3.46Å; Y206-A256 HydrophobicContact CD1-CB 4.39Å; Y206-A256 HydrophobicContact CE1-CB 4.16Å; Y206-F267 HydrophobicContact CE1-CE1 4.42Å; Y206-F267 HydrophobicContact CE1-CE2 4.13Å; Y206-F267 AromaticContact CE1-CZ 3.79Å; Y206-F267 HydrophobicContact CE1-CZ 3.79Å
207I91.7Very high82.3Confident0 Ų046.7 Ų46.70%028%0.28CS..EExtended strand (participates in β ladder)trans-114.7126.1-180-57.5164.6000108.8L209 L219 R228 F229 V254 F255 F257I207-L209 HydrophobicContact CG2-CD2 4.22Å; I207-L219 HydrophobicContact CB-CD1 4.43Å; I207-L219 HydrophobicContact CD1-CD1 4.39Å; I207-L219 HydrophobicContact CD1-CD2 3.55Å; I207-L219 HydrophobicContact CG2-CD1 3.77Å; I207-R228 HydrophobicContact CG2-CG 4.01Å; I207-F229 CarbonylContact C-O 3.5Å; I207-F229 WeakPolarHBondContact CA-O 3.11Å; I207-V254 CarbonylContact O-C 3.53Å; I207-V254 WeakPolarHBondContact O-CA 3.39Å; I207-F255 HydrophobicContact CB-CB 4.45Å; I207-F255 PolarHBondContact N-O 3.48Å; I207-F255 PolarHBondContact O-N 2.82Å; I207-F257 HydrophobicContact CD1-CB 3.49Å; I207-F257 VanDerWaalsContact CD1-CB 3.49Å; I207-F257 HydrophobicContact CD1-CD1 4.11Å; I207-F257 HydrophobicContact CD1-CG 3.95Å; I207-F257 HydrophobicContact CG1-CB 4.29Å
208F92.3Very high83.9Confident0 Ų043.6 Ų43.60%026%0.259CS..EExtended strand (participates in β ladder)trans-112125.9-179.8-54.5-98.2000108.4I190 W192 R228 F229 I231 L239 L252 V254I190-F208 HydrophobicContact CD1-CD1 4.39Å; I190-F208 HydrophobicContact CG2-CD1 4.23Å; I190-F208 HydrophobicContact CG2-CE1 4.03Å; W192-F208 HydrophobicContact CD2-CE1 4.07Å; W192-F208 AromaticContact CD2-CZ 3.85Å; W192-F208 HydrophobicContact CD2-CZ 3.85Å; W192-F208 AromaticContact CE2-CZ 3.95Å; W192-F208 AromaticContact CE3-CE1 3.58Å; W192-F208 HydrophobicContact CE3-CE1 3.58Å; W192-F208 AromaticContact CE3-CZ 3.56Å; W192-F208 HydrophobicContact CE3-CZ 3.56Å; W192-F208 HydrophobicContact CH2-CE1 4.36Å; W192-F208 HydrophobicContact CH2-CE2 4.35Å; W192-F208 AromaticContact CH2-CZ 3.58Å; W192-F208 HydrophobicContact CH2-CZ 3.58Å; W192-F208 AromaticContact CZ2-CZ 3.85Å; W192-F208 HydrophobicContact CZ2-CZ 3.85Å; W192-F208 AromaticContact CZ3-CE1 3.74Å; W192-F208 HydrophobicContact CZ3-CE1 3.74Å; W192-F208 HydrophobicContact CZ3-CE2 4.46Å; W192-F208 AromaticContact CZ3-CZ 3.41Å; W192-F208 HydrophobicContact CZ3-CZ 3.41Å; W192-F208 VanDerWaalsContact CZ3-CZ 3.41Å; F208-R228 WeakPolarHBondContact O-CA 3.25Å; F208-F229 HydrophobicContact CB-CB 4.25Å; F208-F229 HydrophobicContact CB-CD2 4.18Å; F208-F229 HydrophobicContact CD2-CB 4.49Å; F208-F229 PolarHBondContact N-O 2.81Å; F208-F229 PolarHBondContact O-N 2.85Å; F208-I231 HydrophobicContact CD2-CD1 4.42Å; F208-I231 HydrophobicContact CE2-CB 4.3Å; F208-I231 HydrophobicContact CE2-CD1 3.67Å; F208-I231 HydrophobicContact CE2-CG1 3.94Å; F208-I231 HydrophobicContact CZ-CD1 4.22Å; F208-L239 HydrophobicContact CB-CD2 4.18Å; F208-L239 HydrophobicContact CD1-CD2 4.04Å; F208-L239 HydrophobicContact CD2-CD2 3.7Å; F208-L239 HydrophobicContact CE1-CD2 4.41Å; F208-L239 HydrophobicContact CE2-CD2 4.11Å; F208-L239 HydrophobicContact CG-CD2 3.69Å; F208-L239 HydrophobicContact CZ-CD2 4.46Å; F208-L252 HydrophobicContact CB-CD1 4.35Å; F208-L252 HydrophobicContact CD1-CD1 4.44Å; F208-V254 HydrophobicContact CD1-CB 4.4Å; F208-V254 HydrophobicContact CD1-CG1 4Å; F208-V254 HydrophobicContact CD1-CG2 3.67Å; F208-V254 HydrophobicContact CE1-CG1 3.76Å; F208-V254 HydrophobicContact CE1-CG2 4Å; F208-V254 HydrophobicContact CZ-CG1 4.34Å
209L93.3Very high85.7Confident1 Ų144.4 Ų44.41%0.00526%0.263CS..EExtended strand (participates in β ladder)trans-109.3126173.5-58.4-173.5000109.1I207 F216 L219 A222 T226 M227 R228 L252 S253 F255I207-L209 HydrophobicContact CG2-CD2 4.22Å; L209-F216 HydrophobicContact CB-CD2 4.25Å; L209-F216 HydrophobicContact CD1-CB 4.17Å; L209-F216 HydrophobicContact CD1-CD2 3.84Å; L209-F216 HydrophobicContact CD1-CG 4.12Å; L209-L219 HydrophobicContact CD1-CD1 4.12Å; L209-L219 HydrophobicContact CD2-CD1 4.15Å; L209-L219 HydrophobicContact CG-CD1 4.31Å; L209-A222 HydrophobicContact CD1-CB 3.69Å; L209-A222 HydrophobicContact CD2-CB 4.31Å; L209-T226 HydrophobicContact CB-CG2 3.79Å; L209-T226 HydrophobicContact CD1-CG2 4.47Å; L209-T226 HydrophobicContact CD2-CG2 4.2Å; L209-T226 HydrophobicContact CG-CG2 4.39Å; L209-M227 CarbonylContact C-O 3.54Å; L209-M227 WeakPolarHBondContact CA-O 3.38Å; L209-R228 HydrophobicContact CD2-CB 4.07Å; L209-R228 HydrophobicContact CD2-CG 3.94Å; L209-L252 WeakPolarHBondContact O-CA 3.39Å; L209-S253 PolarHBondContact N-O 2.82Å; L209-S253 PolarHBondContact O-N 2.78Å; L209-F255 HydrophobicContact CD1-CD2 4.34Å; L209-F255 HydrophobicContact CD1-CE2 3.67Å; L209-F255 HydrophobicContact CG-CD2 4.36Å; L209-F255 HydrophobicContact CG-CE2 4.09Å
210L92.2Very high87.5Confident1 Ų141.3 Ų41.31%0.00524%0.236CC..EExtended strand (participates in β ladder)trans-119.3114.6176.8-16770.2000109.6M227 F229 L241 L244 Y250 F251 L252 F272L210-M227 HydrophobicContact CB-CB 4.19Å; L210-M227 HydrophobicContact CB-CE 3.99Å; L210-M227 HydrophobicContact CD2-CE 3.52Å; L210-M227 HydrophobicContact CD2-SD 4.48Å; L210-M227 HydrophobicContact CG-CE 3.77Å; L210-M227 PolarHBondContact N-O 3.2Å; L210-M227 PolarHBondContact O-N 3.43Å; L210-F229 HydrophobicContact CB-CE2 4.14Å; L210-L241 HydrophobicContact CD2-CD1 3.88Å; L210-L244 HydrophobicContact CD2-CD1 4.23Å; L210-L244 HydrophobicContact CD2-CD2 3.77Å; L210-Y250 HydrophobicContact CD1-CD1 4.25Å; L210-Y250 HydrophobicContact CD1-CG 4.28Å; L210-Y250 HydrophobicContact CD2-CD1 3.91Å; L210-Y250 HydrophobicContact CD2-CE1 4.32Å; L210-Y250 HydrophobicContact CD2-CG 4.35Å; L210-Y250 HydrophobicContact CG-CD1 3.79Å; L210-Y250 HydrophobicContact CG-CG 4.29Å; L210-F251 WeakPolarHBondContact CA-O 3.28Å; L210-L252 HydrophobicContact CD1-CB 4.28Å; L210-L252 HydrophobicContact CD1-CD1 4.4Å; L210-F272 HydrophobicContact CD1-CE1 3.85Å; L210-F272 HydrophobicContact CD1-CZ 3.8Å
211S92.8Very high89Confident7 Ų738.4 Ų38.45%0.04921%0.211CC..EExtended strand (participates in β ladder)trans-122.5157.2-179.1172.20000111.3S213 K214 Y250 F251S211-S213 PolarHBondContact OG-N 2.98Å; S211-S213 VanDerWaalsContact OG-N 3.1Å; S211-S213 PolarHBondContact OG-OG 2.92Å; S211-K214 WeakPolarHBondContact CB-O 3.45Å; S211-Y250 CarbonylContact O-C 3.59Å; S211-Y250 WeakPolarHBondContact O-CA 3.26Å; S211-F251 PolarHBondContact N-O 2.83Å; S211-F251 PolarHBondContact O-N 2.9Å
212R91Very high89.9Confident159 Ų15939.6 Ų39.660%0.622%0.222SC*.SBendtrans-96.9-4.4173.8-66.4-177.8-68.1175.8-0.3113.1V248 Y250R212-V248 HydrophobicContact CG-CG1 4.17Å; R212-Y250 HydrophobicContact CG-CD1 3.94Å; R212-Y250 HydrophobicContact CG-CE1 3.76Å
213S91.1Very high90.7Very high75 Ų7538 Ų3852%0.52420%0.2SC..SBendtrans-111.2-44.8-172.759.30000113.8S211 F251S211-S213 PolarHBondContact OG-N 2.98Å; S211-S213 VanDerWaalsContact OG-N 3.1Å; S211-S213 PolarHBondContact OG-OG 2.92Å; S213-F251 WeakPolarHBondContact O-CE2 3.48Å
214K92.7Very high90.7Very high102 Ų10246 Ų4644%0.44324%0.236SC..  trans-163.6166.5-173.562.4-179.8-178.9179.90112.4S211 F251S211-K214 WeakPolarHBondContact CB-O 3.45Å; K214-F251 VanDerWaalsContact C-CB 3.4Å; K214-F251 VanDerWaalsContact O-CB 3.31Å; K214-F251 WeakPolarHBondContact O-CB 3.35Å
215T93.4Very high90.5Very high42 Ų4253.9 Ų53.926%0.25827%0.272SS..  trans-81.6164.4164.554.80000110.8F251 S253T215-F251 HydrophobicContact CG2-CB 3.89Å; T215-F251 HydrophobicContact CG2-CD1 4.02Å; T215-F251 HydrophobicContact CG2-CG 4.43Å; T215-S253 WeakPolarHBondContact CA-OG 3.31Å
216F92.8Very high90.5Very high9 Ų951.2 Ų51.24%0.03926%0.261CS..  trans-122.4128.1178.9-59.1-86.6000109.9L209 A221 T226 S253 F255L209-F216 HydrophobicContact CB-CD2 4.25Å; L209-F216 HydrophobicContact CD1-CB 4.17Å; L209-F216 HydrophobicContact CD1-CD2 3.84Å; L209-F216 HydrophobicContact CD1-CG 4.12Å; F216-A221 HydrophobicContact CD1-CB 4.02Å; F216-A221 WeakPolarHBondContact CD1-O 3.41Å; F216-A221 WeakPolarHBondContact CE1-O 3.05Å; F216-T226 HydrophobicContact CD2-CG2 4.47Å; F216-T226 HydrophobicContact CE2-CG2 3.65Å; F216-T226 HydrophobicContact CZ-CG2 4.14Å; F216-T226 VanDerWaalsContact CZ-OG1 3.24Å; F216-T226 WeakPolarHBondContact CZ-OG1 3.41Å; F216-S253 PolarHBondContact N-OG 2.85Å; F216-F255 HydrophobicContact CB-CZ 4.28Å; F216-F255 VanDerWaalsContact O-CZ 3.29Å; F216-F255 WeakPolarHBondContact O-CZ 3.12Å
217E89.9Confident90.3Very high97 Ų9752.6 Ų52.645%0.45327%0.268SS..SBendtrans-81.2-20.7173.6-62.2-60.4146.200112.3
218A92.1Very high90.1Very high6 Ų658.4 Ų58.45%0.0529%0.29CS..SBendtrans-135.8135.6-177.600000110.8T71 P72 C220 A221T71-A218 HydrophobicContact CG2-CB 3.53Å; P72-A218 WeakPolarHBondContact O-CB 3.47Å; A218-C220 PolarHBondContact O-N 2.93Å; A218-A221 HydrophobicContact CB-CB 4.44Å; A218-A221 WeakPolarHBondContact O-CB 3.39Å; A218-A221 PolarHBondContact O-N 2.85Å
219L91.9Very high89.8Confident20 Ų2058.6 Ų58.611%0.10529%0.29CS..G310 helixtrans-59.4-33.7-179.9-178.662.3000112.7I207 L209 A221 A222 F255 T264I207-L219 HydrophobicContact CB-CD1 4.43Å; I207-L219 HydrophobicContact CD1-CD1 4.39Å; I207-L219 HydrophobicContact CD1-CD2 3.55Å; I207-L219 HydrophobicContact CG2-CD1 3.77Å; L209-L219 HydrophobicContact CD1-CD1 4.12Å; L209-L219 HydrophobicContact CD2-CD1 4.15Å; L209-L219 HydrophobicContact CG-CD1 4.31Å; L219-A221 PolarHBondContact O-N 2.85Å; L219-A222 WeakPolarHBondContact O-CB 3.31Å; L219-A222 PolarHBondContact O-N 2.89Å; L219-F255 HydrophobicContact CB-CD1 4.18Å; L219-F255 HydrophobicContact CB-CD2 4.44Å; L219-F255 HydrophobicContact CB-CE1 4.3Å; L219-F255 HydrophobicContact CB-CG 4.24Å; L219-F255 HydrophobicContact CB-CZ 4.49Å; L219-F255 HydrophobicContact CD1-CD2 4.06Å; L219-F255 HydrophobicContact CD1-CE2 4.44Å; L219-F255 HydrophobicContact CD1-CG 4.43Å; L219-T264 HydrophobicContact CB-CG2 4.46Å; L219-T264 HydrophobicContact CD2-CG2 3.86Å
220C91.7Very high89.4Confident36 Ų3661.8 Ų61.824%0.24331%0.313CS..G310 helixtrans-74.4-9.6179.165.40000114.4C73 Q157 A218 A222C73-C220 VanDerWaalsContact CA-SG 3.56Å; C73-C220 HydrophobicContact CB-CB 3.98Å; C73-C220 WeakPolarHBondContact CB-SG 3.5Å; C73-C220 WeakPolarHBondContact SG-CB 3.48Å; C73-C220 CovalentContact SG-SG 2.04Å; C73-C220 PolarHBondContact SG-SG 2.8Å; Q157-C220 HydrophobicContact CG-CB 4.26Å; A218-C220 PolarHBondContact O-N 2.93Å; C220-A222 VanDerWaalsContact C-N 3.32Å
221A91.4Very high88.9Confident22 Ų2262.4 Ų62.418%0.18232%0.316CS..G310 helixtrans-85-6.4176.700000113.1F216 A218 L219F216-A221 HydrophobicContact CD1-CB 4.02Å; F216-A221 WeakPolarHBondContact CD1-O 3.41Å; F216-A221 WeakPolarHBondContact CE1-O 3.05Å; A218-A221 HydrophobicContact CB-CB 4.44Å; A218-A221 WeakPolarHBondContact O-CB 3.39Å; A218-A221 PolarHBondContact O-N 2.85Å; L219-A221 PolarHBondContact O-N 2.85Å
222A91.3Very high88.3Confident34 Ų3465.7 Ų65.728%0.28134%0.339SS..  trans-63.4132.6177.200000110.8L209 L219 C220 T226L209-A222 HydrophobicContact CD1-CB 3.69Å; L209-A222 HydrophobicContact CD2-CB 4.31Å; L219-A222 WeakPolarHBondContact O-CB 3.31Å; L219-A222 PolarHBondContact O-N 2.89Å; C220-A222 VanDerWaalsContact C-N 3.32Å; A222-T226 HydrophobicContact CB-CG2 4.47Å
223D86.7Confident87.3Confident73 Ų7359.7 Ų59.739%0.3932%0.322SS..  trans-91.2172.6174.659.142.8000111.7Q225 T226D223-Q225 PolarHBondContact O-N 2.85Å; D223-Q225 WeakPolarHBondContact OD1-CA 3.49Å; D223-Q225 PolarHBondContact OD1-N 2.83Å; D223-T226 WeakPolarHBondContact O-CB 3.35Å; D223-T226 PolarHBondContact O-N 2.9Å; D223-T226 PolarHBondContact OD1-N 2.57Å; D223-T226 PolarHBondContact OD1-OG1 2.93Å
224E81Confident85.7Confident206 Ų20660.1 Ų60.196%0.96333%0.325SS*.THydrogen-bonded Turntrans-66.7-17.6179.2-63.5-175.2166.700113.7T226E224-T226 VanDerWaalsContact C-N 3.34Å
225Q82.2Confident84.2Confident169 Ų16966.2 Ų66.279%0.7935%0.345SS*.THydrogen-bonded Turntrans-87.6-9.8178.8-60.6-174.6300112.5D223D223-Q225 PolarHBondContact O-N 2.85Å; D223-Q225 WeakPolarHBondContact OD1-CA 3.49Å; D223-Q225 PolarHBondContact OD1-N 2.83Å
226T87.7Confident82.8Confident14 Ų1470 Ų709%0.08636%0.355CS..SBendtrans-78.5121.6-179.6-60.10000109.4L209 F216 A222 D223 E224 R228L209-T226 HydrophobicContact CB-CG2 3.79Å; L209-T226 HydrophobicContact CD1-CG2 4.47Å; L209-T226 HydrophobicContact CD2-CG2 4.2Å; L209-T226 HydrophobicContact CG-CG2 4.39Å; F216-T226 HydrophobicContact CD2-CG2 4.47Å; F216-T226 HydrophobicContact CE2-CG2 3.65Å; F216-T226 HydrophobicContact CZ-CG2 4.14Å; F216-T226 VanDerWaalsContact CZ-OG1 3.24Å; F216-T226 WeakPolarHBondContact CZ-OG1 3.41Å; A222-T226 HydrophobicContact CB-CG2 4.47Å; D223-T226 WeakPolarHBondContact O-CB 3.35Å; D223-T226 PolarHBondContact O-N 2.9Å; D223-T226 PolarHBondContact OD1-N 2.57Å; D223-T226 PolarHBondContact OD1-OG1 2.93Å; E224-T226 VanDerWaalsContact C-N 3.34Å; T226-R228 PolarHBondContact O-N 2.71Å
227M86.5Confident82.1Confident32 Ų3276.4 Ų76.416%0.15838%0.378CS..EExtended strand (participates in β ladder)trans-68.8133.3174.5-65.5176.1-80.900109.3L209 L210 F229 Y250 Y300L209-M227 CarbonylContact C-O 3.54Å; L209-M227 WeakPolarHBondContact CA-O 3.38Å; L210-M227 HydrophobicContact CB-CB 4.19Å; L210-M227 HydrophobicContact CB-CE 3.99Å; L210-M227 HydrophobicContact CD2-CE 3.52Å; L210-M227 HydrophobicContact CD2-SD 4.48Å; L210-M227 HydrophobicContact CG-CE 3.77Å; L210-M227 PolarHBondContact N-O 3.2Å; L210-M227 PolarHBondContact O-N 3.43Å; M227-F229 HydrophobicContact CB-CE2 4.01Å; M227-F229 HydrophobicContact CB-CZ 3.86Å; M227-F229 HydrophobicContact SD-CZ 4.44Å; M227-Y250 HydrophobicContact CE-CD1 4.11Å; M227-Y250 HydrophobicContact CE-CE1 3.67Å; M227-Y300 HydrophobicContact CG-CE2 4.23Å; M227-Y300 HydrophobicContact SD-CD2 3.83Å; M227-Y300 HydrophobicContact SD-CE2 3.31Å; M227-Y300 WeakPolarHBondContact SD-CE2 3.42Å
228R87.7Confident81.8Confident121 Ų12174.6 Ų74.646%0.45737%0.374SS..EExtended strand (participates in β ladder)trans-124.8129.7-176.4180178.6176.2134.2-4.7110.4I207 F208 L209 T226I207-R228 HydrophobicContact CG2-CG 4.01Å; F208-R228 WeakPolarHBondContact O-CA 3.25Å; L209-R228 HydrophobicContact CD2-CB 4.07Å; L209-R228 HydrophobicContact CD2-CG 3.94Å; T226-R228 PolarHBondContact O-N 2.71Å
229F85.6Confident81.5Confident4 Ų474.6 Ų74.62%0.01837%0.373CS..EExtended strand (participates in β ladder)trans-124.8143.1174.8-45.1-76000109.3I207 F208 L210 M227 L239 L241 L297I207-F229 CarbonylContact C-O 3.5Å; I207-F229 WeakPolarHBondContact CA-O 3.11Å; F208-F229 HydrophobicContact CB-CB 4.25Å; F208-F229 HydrophobicContact CB-CD2 4.18Å; F208-F229 HydrophobicContact CD2-CB 4.49Å; F208-F229 PolarHBondContact N-O 2.81Å; F208-F229 PolarHBondContact O-N 2.85Å; L210-F229 HydrophobicContact CB-CE2 4.14Å; M227-F229 HydrophobicContact CB-CE2 4.01Å; M227-F229 HydrophobicContact CB-CZ 3.86Å; M227-F229 HydrophobicContact SD-CZ 4.44Å; F229-L239 HydrophobicContact CB-CD2 4.23Å; F229-L241 HydrophobicContact CD2-CD2 4.36Å; F229-L241 HydrophobicContact CE1-CD2 4.47Å; F229-L241 HydrophobicContact CE2-CD1 4.19Å; F229-L241 HydrophobicContact CE2-CD2 4.14Å; F229-L241 HydrophobicContact CZ-CD2 4.19Å; F229-L297 HydrophobicContact CD1-CB 4.41Å; F229-L297 WeakPolarHBondContact CD1-O 2.98Å
230S85.3Confident81Confident68 Ų6876.5 Ų76.548%0.47639%0.386SS..EExtended strand (participates in β ladder)trans-127.6135.9175.753.50000111.2Y206Y206-S230 CarbonylContact O-C 3.57Å; Y206-S230 VanDerWaalsContact O-CA 3.29Å; Y206-S230 WeakPolarHBondContact O-CA 3.44Å
231I81.9Confident80.5Confident14 Ų1474.9 Ų74.97%0.07238%0.375CS..EExtended strand (participates in β ladder)trans-125.9125.5177.1-60.1179.4000108.5W192 E205 Y206 F208 L239 L297W192-I231 HydrophobicContact CH2-CD1 3.87Å; E205-I231 CarbonylContact C-O 3.48Å; E205-I231 WeakPolarHBondContact CA-O 3.22Å; Y206-I231 PolarHBondContact N-O 2.81Å; Y206-I231 PolarHBondContact O-N 3.21Å; F208-I231 HydrophobicContact CD2-CD1 4.42Å; F208-I231 HydrophobicContact CE2-CB 4.3Å; F208-I231 HydrophobicContact CE2-CD1 3.67Å; F208-I231 HydrophobicContact CE2-CG1 3.94Å; F208-I231 HydrophobicContact CZ-CD1 4.22Å; I231-L239 HydrophobicContact CD1-CB 3.87Å; I231-L239 HydrophobicContact CD1-CD1 4.05Å; I231-L239 HydrophobicContact CD1-CD2 4.18Å; I231-L239 HydrophobicContact CD1-CG 4.24Å; I231-L297 HydrophobicContact CD1-CD1 3.91Å; I231-L297 HydrophobicContact CG1-CD1 3.4Å
232S79.9Confident79.8Confident77 Ų7774.3 Ų74.354%0.53837%0.369SS..EExtended strand (participates in β ladder)trans-74.2138.7169.359.40000110.6S234S232-S234 PolarHBondContact O-N 3.46Å
233S69.8Low78.9Confident33 Ų3373.2 Ų73.223%0.23136%0.361CS..SBendtrans-68.9100.4179.9106.30000109.7L204L204-S233 WeakPolarHBondContact O-CB 3.39Å; L204-S233 PolarHBondContact O-N 2.69Å
234S57.6Low78.5Confident84 Ų8470.4 Ų70.459%0.58735%0.346SS*.SBendtrans-138.335.2172.558.60000112.6S232S232-S234 PolarHBondContact O-N 3.46Å
235R61.6Low78.5Confident230 Ų23064.4 Ų64.487%0.86832%0.32SS*.SBendtrans91.69176.9-49.8174.8-178.1-161.3-0117.2
236R64.6Low78.4Confident122 Ų12259 Ų5946%0.4630%0.299SS..  trans-84.4123.7171.8-66.4-167.5-175.4-177.712.3110.7W192 E370W192-R236 VanDerWaalsContact CZ2-O 3.24Å; W192-R236 WeakPolarHBondContact CZ2-O 3.06Å; R236-E370 IonicContact CZ-OE1 2.83Å; R236-E370 IonicContact CZ-OE2 3.94Å; R236-E370 VanDerWaalsContact CZ-OE2 3.25Å; R236-E370 IonicContact NH1-OE1 2.79Å; R236-E370 PolarHBondContact NH1-OE1 2.76Å; R236-E370 IonicContact NH1-OE2 3.65Å; R236-E370 PolarHBondContact NH1-OE2 3.5Å; R236-E370 IonicContact NH2-OE1 3.25Å; R236-E370 IonicContact NH2-OE2 2.73Å; R236-E370 PolarHBondContact NH2-OE2 3.47Å
237R77.1Confident78.3Confident142 Ų14265 Ų6554%0.53633%0.33SS..  trans-102.43.4177.3-64.5179.7179.7177.5-1.7113.3Q194Q194-R237 HydrophobicContact CB-CG 4.34Å
238T84.8Confident78.4Confident59 Ų5965 Ų6536%0.36233%0.333SS..EExtended strand (participates in β ladder)trans-142.8141.2-170.660.40000111.6T189 I190 Y191T189-T238 HydrophobicContact CG2-CG2 4.27Å; I190-T238 CarbonylContact O-C 3.57Å; I190-T238 WeakPolarHBondContact O-CA 3.44Å; Y191-T238 HydrophobicContact CD1-CG2 3.37Å; Y191-T238 HydrophobicContact CE1-CG2 3.32Å; Y191-T238 HydrophobicContact CG-CG2 4.24Å
239L84.8Confident78.7Confident6 Ų666.3 Ų66.33%0.03134%0.337CS..EExtended strand (participates in β ladder)trans-124.9119.4170.7171.156.4000107.7T189 I190 W192 F208 F229 I231 L241 L297T189-L239 CarbonylContact C-O 3.58Å; T189-L239 WeakPolarHBondContact CA-O 3Å; I190-L239 HydrophobicContact CB-CB 4.39Å; I190-L239 HydrophobicContact CD1-CD2 4.3Å; I190-L239 PolarHBondContact N-O 2.89Å; I190-L239 PolarHBondContact O-N 3.28Å; W192-L239 HydrophobicContact CH2-CB 4.4Å; W192-L239 HydrophobicContact CZ3-CB 3.94Å; F208-L239 HydrophobicContact CB-CD2 4.18Å; F208-L239 HydrophobicContact CD1-CD2 4.04Å; F208-L239 HydrophobicContact CD2-CD2 3.7Å; F208-L239 HydrophobicContact CE1-CD2 4.41Å; F208-L239 HydrophobicContact CE2-CD2 4.11Å; F208-L239 HydrophobicContact CG-CD2 3.69Å; F208-L239 HydrophobicContact CZ-CD2 4.46Å; F229-L239 HydrophobicContact CB-CD2 4.23Å; I231-L239 HydrophobicContact CD1-CB 3.87Å; I231-L239 HydrophobicContact CD1-CD1 4.05Å; I231-L239 HydrophobicContact CD1-CD2 4.18Å; I231-L239 HydrophobicContact CD1-CG 4.24Å; L239-L241 HydrophobicContact CD1-CD2 4.11Å; L239-L241 HydrophobicContact CD2-CD2 4.16Å; L239-L241 HydrophobicContact CG-CD2 4.01Å; L239-L241 HydrophobicContact CG-CG 4.38Å; L239-L297 HydrophobicContact CD1-CD1 4.03Å
240T82.4Confident79Confident61 Ų6166.5 Ų66.537%0.37434%0.338SS..EExtended strand (participates in β ladder)trans-101.9120.7175.8-58.60000109.9V188 T189V188-T240 WeakPolarHBondContact O-CA 2.98Å; T189-T240 PolarHBondContact OG1-OG1 2.73Å; T189-T240 VanDerWaalsContact OG1-OG1 3.09Å
241L80.9Confident79.5Confident2 Ų265.1 Ų65.11%0.0132%0.324CS..EExtended strand (participates in β ladder)trans-100.5135.6173.2-56.6-179.9000108.8S187 V188 I190 L210 F229 L239 L244S187-L241 CarbonylContact C-O 3.58Å; S187-L241 WeakPolarHBondContact CA-O 3.25Å; V188-L241 PolarHBondContact N-O 3.04Å; V188-L241 PolarHBondContact O-N 3.2Å; I190-L241 HydrophobicContact CD1-CD1 3.88Å; I190-L241 HydrophobicContact CD1-CG 4.36Å; L210-L241 HydrophobicContact CD2-CD1 3.88Å; F229-L241 HydrophobicContact CD2-CD2 4.36Å; F229-L241 HydrophobicContact CE1-CD2 4.47Å; F229-L241 HydrophobicContact CE2-CD1 4.19Å; F229-L241 HydrophobicContact CE2-CD2 4.14Å; F229-L241 HydrophobicContact CZ-CD2 4.19Å; L239-L241 HydrophobicContact CD1-CD2 4.11Å; L239-L241 HydrophobicContact CD2-CD2 4.16Å; L239-L241 HydrophobicContact CG-CD2 4.01Å; L239-L241 HydrophobicContact CG-CG 4.38Å; L241-L244 HydrophobicContact CB-CD1 4.29Å
242S76.5Confident80.1Confident10 Ų1064.5 Ų64.57%0.0732%0.32CS..  trans-130.1161.6174.956.30000109.5L244 Y300S242-L244 VanDerWaalsContact C-N 3.32Å; S242-L244 PolarHBondContact O-N 2.81Å; S242-Y300 CarbonylContact O-C 3.59Å
243G72.1Confident80.9Confident11 Ų1161 Ų6111%0.11330%0.295CS..SBendtrans73.519.817900000115.1L278G243-L278 WeakPolarHBondContact O-CD2 3.37Å
244L79Confident82Confident14 Ų1459.4 Ų59.47%0.07329%0.285CS..PPolyproline II helixtrans-69.6145.3171.1-64179.1000110.3V188 L210 L241 S242 Y250 F272 T274 L278V188-L244 HydrophobicContact CB-CD1 4.28Å; V188-L244 HydrophobicContact CG2-CD1 4Å; L210-L244 HydrophobicContact CD2-CD1 4.23Å; L210-L244 HydrophobicContact CD2-CD2 3.77Å; L241-L244 HydrophobicContact CB-CD1 4.29Å; S242-L244 VanDerWaalsContact C-N 3.32Å; S242-L244 PolarHBondContact O-N 2.81Å; L244-Y250 HydrophobicContact CB-CE2 3.99Å; L244-Y250 HydrophobicContact CD1-CD2 4.49Å; L244-Y250 HydrophobicContact CD1-CE2 4.42Å; L244-Y250 HydrophobicContact CD2-CE1 4.41Å; L244-F272 HydrophobicContact CD1-CE2 3.77Å; L244-F272 HydrophobicContact CD1-CZ 3.95Å; L244-T274 HydrophobicContact CB-CG2 3.9Å; L244-T274 HydrophobicContact CD1-CG2 4.24Å; L244-L278 WeakPolarHBondContact O-CD2 3.18Å
245L79.5Confident83.7Confident80 Ų8055.6 Ų55.642%0.41926%0.257SS..PPolyproline II helixtrans-59.9147.8175.2-64176000109.9V248 Y250 T274 L278L245-V248 HydrophobicContact CB-CB 4.21Å; L245-V248 HydrophobicContact CB-CG2 3.64Å; L245-Y250 PolarHBondContact N-OH 2.59Å; L245-Y250 VanDerWaalsContact N-OH 3.15Å; L245-T274 WeakPolarHBondContact O-CB 3.33Å; L245-T274 PolarHBondContact O-OG1 2.91Å; L245-L278 HydrophobicContact CD2-CD1 4.28Å
246T82Confident85.2Confident55 Ų5544.6 Ų44.634%0.33722%0.216SC..THydrogen-bonded Turntrans-94.7146.7-169.166.50000109.4V248 T274 N276 L278T246-V248 PolarHBondContact O-N 2.9Å; T246-T274 WeakPolarHBondContact CA-OG1 3.36Å; T246-N276 WeakPolarHBondContact CB-O 3.22Å; T246-N276 WeakPolarHBondContact CG2-O 3.44Å; T246-L278 HydrophobicContact CG2-CB 4.21Å; T246-L278 HydrophobicContact CG2-CG 3.86Å
247D85Confident86.4Confident139 Ų13940.7 Ų40.774%0.74320%0.202SC*.THydrogen-bonded Turntrans56.531-174.3-161.330.3000112.4T274D247-T274 VanDerWaalsContact CA-O 3.31Å; D247-T274 WeakPolarHBondContact CA-O 3.24Å; D247-T274 PolarHBondContact N-O 2.92Å; D247-T274 PolarHBondContact N-OG1 2.97Å
248V88.3Confident86.9Confident34 Ų3436 Ų3621%0.20618%0.184CC..  trans-115.1129.4178.5177.30000109.1R212 L245 T246 Y250 T274R212-V248 HydrophobicContact CG-CG1 4.17Å; L245-V248 HydrophobicContact CB-CB 4.21Å; L245-V248 HydrophobicContact CB-CG2 3.64Å; T246-V248 PolarHBondContact O-N 2.9Å; V248-Y250 HydrophobicContact CB-CD2 4.39Å; V248-Y250 HydrophobicContact CB-CE2 3.76Å; V248-Y250 HydrophobicContact CG1-CD2 4.12Å; V248-Y250 HydrophobicContact CG1-CE1 4.32Å; V248-Y250 HydrophobicContact CG1-CE2 3.65Å; V248-Y250 WeakPolarHBondContact O-CD2 3.29Å; V248-T274 PolarHBondContact N-OG1 3.49Å; V248-T274 PolarHBondContact O-N 2.83Å; V248-T274 PolarHBondContact O-OG1 3Å
249R93.1Very high87.1Confident148 Ų14835 Ų3556%0.55818%0.179SC*.EExtended strand (participates in β ladder)trans-80.6125.9172.5-169.4174.3-175.5174.11.8110.2F251 F272R249-F251 HydrophobicContact CG-CE2 4.46Å; R249-F251 HydrophobicContact CG-CZ 4.48Å; R249-F272 WeakPolarHBondContact CA-O 3.41Å
250Y93.2Very high87.1Confident8 Ų837.7 Ų37.73%0.03120%0.199CC..EExtended strand (participates in β ladder)trans-114.5146.5174.9-68.8-85.4000111L210 S211 R212 M227 L244 L245 V248 A271 F272 T274L210-Y250 HydrophobicContact CD1-CD1 4.25Å; L210-Y250 HydrophobicContact CD1-CG 4.28Å; L210-Y250 HydrophobicContact CD2-CD1 3.91Å; L210-Y250 HydrophobicContact CD2-CE1 4.32Å; L210-Y250 HydrophobicContact CD2-CG 4.35Å; L210-Y250 HydrophobicContact CG-CD1 3.79Å; L210-Y250 HydrophobicContact CG-CG 4.29Å; S211-Y250 CarbonylContact O-C 3.59Å; S211-Y250 WeakPolarHBondContact O-CA 3.26Å; R212-Y250 HydrophobicContact CG-CD1 3.94Å; R212-Y250 HydrophobicContact CG-CE1 3.76Å; M227-Y250 HydrophobicContact CE-CD1 4.11Å; M227-Y250 HydrophobicContact CE-CE1 3.67Å; L244-Y250 HydrophobicContact CB-CE2 3.99Å; L244-Y250 HydrophobicContact CD1-CD2 4.49Å; L244-Y250 HydrophobicContact CD1-CE2 4.42Å; L244-Y250 HydrophobicContact CD2-CE1 4.41Å; L245-Y250 PolarHBondContact N-OH 2.59Å; L245-Y250 VanDerWaalsContact N-OH 3.15Å; V248-Y250 HydrophobicContact CB-CD2 4.39Å; V248-Y250 HydrophobicContact CB-CE2 3.76Å; V248-Y250 HydrophobicContact CG1-CD2 4.12Å; V248-Y250 HydrophobicContact CG1-CE1 4.32Å; V248-Y250 HydrophobicContact CG1-CE2 3.65Å; V248-Y250 WeakPolarHBondContact O-CD2 3.29Å; Y250-A271 VanDerWaalsContact O-CA 3.23Å; Y250-A271 WeakPolarHBondContact O-CA 3.37Å; Y250-F272 AromaticContact CD2-CE2 3.98Å; Y250-F272 HydrophobicContact CD2-CE2 3.98Å; Y250-F272 HydrophobicContact CD2-CZ 4.46Å; Y250-F272 HydrophobicContact CG-CE2 4.26Å; Y250-F272 HydrophobicContact CG-CZ 4.31Å; Y250-F272 PolarHBondContact N-O 3.05Å; Y250-F272 PolarHBondContact O-N 2.74Å; Y250-T274 HydrophobicContact CD2-CG2 4.04Å; Y250-T274 HydrophobicContact CE2-CG2 3.95Å
251F95.3Very high87.3Confident39 Ų3935.9 Ų35.917%0.17119%0.187CC..EExtended strand (participates in β ladder)trans-113.6119.3175.8-62.2-88.5000108.4L210 S211 S213 K214 T215 R249 A271L210-F251 WeakPolarHBondContact CA-O 3.28Å; S211-F251 PolarHBondContact N-O 2.83Å; S211-F251 PolarHBondContact O-N 2.9Å; S213-F251 WeakPolarHBondContact O-CE2 3.48Å; K214-F251 VanDerWaalsContact C-CB 3.4Å; K214-F251 VanDerWaalsContact O-CB 3.31Å; K214-F251 WeakPolarHBondContact O-CB 3.35Å; T215-F251 HydrophobicContact CG2-CB 3.89Å; T215-F251 HydrophobicContact CG2-CD1 4.02Å; T215-F251 HydrophobicContact CG2-CG 4.43Å; R249-F251 HydrophobicContact CG-CE2 4.46Å; R249-F251 HydrophobicContact CG-CZ 4.48Å; F251-A271 HydrophobicContact CD1-CB 3.94Å; F251-A271 HydrophobicContact CE1-CB 4.25Å
252L95.6Very high87.7Confident1 Ų136.9 Ų36.91%0.00519%0.193CC..EExtended strand (participates in β ladder)trans-103127.7-178.8175.867.4000109.6V177 V179 I190 F208 L209 L210 V254 S269 A270 F272V177-L252 HydrophobicContact CG1-CD2 3.82Å; V179-L252 HydrophobicContact CG2-CD2 3.76Å; I190-L252 HydrophobicContact CB-CD2 4.38Å; I190-L252 HydrophobicContact CD1-CD1 3.74Å; I190-L252 HydrophobicContact CD1-CD2 3.73Å; I190-L252 HydrophobicContact CD1-CG 4.4Å; I190-L252 HydrophobicContact CG1-CD2 3.81Å; I190-L252 HydrophobicContact CG2-CD2 3.66Å; F208-L252 HydrophobicContact CB-CD1 4.35Å; F208-L252 HydrophobicContact CD1-CD1 4.44Å; L209-L252 WeakPolarHBondContact O-CA 3.39Å; L210-L252 HydrophobicContact CD1-CB 4.28Å; L210-L252 HydrophobicContact CD1-CD1 4.4Å; L252-V254 HydrophobicContact CD1-CG2 4.12Å; L252-V254 HydrophobicContact CD2-CG2 4.12Å; L252-V254 HydrophobicContact CG-CG2 3.93Å; L252-S269 WeakPolarHBondContact O-CA 3.36Å; L252-S269 WeakPolarHBondContact O-CB 3.34Å; L252-A270 HydrophobicContact CB-CB 4.43Å; L252-A270 HydrophobicContact CD2-CB 4.41Å; L252-A270 PolarHBondContact N-O 2.82Å; L252-A270 PolarHBondContact O-N 3.2Å; L252-F272 HydrophobicContact CB-CE1 4.39Å
253S95.2Very high88.3Confident2 Ų236.5 Ų36.51%0.01419%0.19CC..EExtended strand (participates in β ladder)trans-123.2131.6169.5-43.90000109L209 T215 F216L209-S253 PolarHBondContact N-O 2.82Å; L209-S253 PolarHBondContact O-N 2.78Å; T215-S253 WeakPolarHBondContact CA-OG 3.31Å; F216-S253 PolarHBondContact N-OG 2.85Å
254V94.2Very high89.2Confident1 Ų136.9 Ų36.91%0.00619%0.19CC..EExtended strand (participates in β ladder)trans-117.8138.7-176.2-176.40000108.8V177 I207 F208 L252 F267V177-V254 HydrophobicContact CG1-CG2 4.08Å; V177-V254 HydrophobicContact CG2-CB 4.02Å; V177-V254 HydrophobicContact CG2-CG2 3.9Å; I207-V254 CarbonylContact O-C 3.53Å; I207-V254 WeakPolarHBondContact O-CA 3.39Å; F208-V254 HydrophobicContact CD1-CB 4.4Å; F208-V254 HydrophobicContact CD1-CG1 4Å; F208-V254 HydrophobicContact CD1-CG2 3.67Å; F208-V254 HydrophobicContact CE1-CG1 3.76Å; F208-V254 HydrophobicContact CE1-CG2 4Å; F208-V254 HydrophobicContact CZ-CG1 4.34Å; L252-V254 HydrophobicContact CD1-CG2 4.12Å; L252-V254 HydrophobicContact CD2-CG2 4.12Å; L252-V254 HydrophobicContact CG-CG2 3.93Å; V254-F267 HydrophobicContact CB-CB 3.88Å; V254-F267 HydrophobicContact CG1-CB 4.17Å; V254-F267 HydrophobicContact CG1-CG 4.3Å; V254-F267 WeakPolarHBondContact O-CB 3.32Å; V254-F267 PolarHBondContact O-N 2.79Å
255F93.4Very high89.8Confident3 Ų336.2 Ų36.21%0.01319%0.186CC..EExtended strand (participates in β ladder)trans-133.7138.8179-60.6-92.7000110Y206 I207 L209 F216 L219 V265 P266Y206-F255 CarbonylContact C-O 3.56Å; Y206-F255 WeakPolarHBondContact CA-O 3.46Å; I207-F255 HydrophobicContact CB-CB 4.45Å; I207-F255 PolarHBondContact N-O 3.48Å; I207-F255 PolarHBondContact O-N 2.82Å; L209-F255 HydrophobicContact CD1-CD2 4.34Å; L209-F255 HydrophobicContact CD1-CE2 3.67Å; L209-F255 HydrophobicContact CG-CD2 4.36Å; L209-F255 HydrophobicContact CG-CE2 4.09Å; F216-F255 HydrophobicContact CB-CZ 4.28Å; F216-F255 VanDerWaalsContact O-CZ 3.29Å; F216-F255 WeakPolarHBondContact O-CZ 3.12Å; L219-F255 HydrophobicContact CB-CD1 4.18Å; L219-F255 HydrophobicContact CB-CD2 4.44Å; L219-F255 HydrophobicContact CB-CE1 4.3Å; L219-F255 HydrophobicContact CB-CG 4.24Å; L219-F255 HydrophobicContact CB-CZ 4.49Å; L219-F255 HydrophobicContact CD1-CD2 4.06Å; L219-F255 HydrophobicContact CD1-CE2 4.44Å; L219-F255 HydrophobicContact CD1-CG 4.43Å; F255-V265 CarbonylContact C-O 3.5Å; F255-V265 WeakPolarHBondContact CA-O 3.27Å; F255-P266 HydrophobicContact CD1-CB 3.96Å; F255-P266 HydrophobicContact CE1-CB 3.78Å
256A91.4Very high90.4Very high0 Ų033.8 Ų33.80%018%0.176CC..EExtended strand (participates in β ladder)trans-88.5131.5159.900000109L168 L172 L204 E205 Y206 T264 V265 F267L168-A256 HydrophobicContact CD2-CB 4.11Å; L172-A256 HydrophobicContact CD1-CB 3.4Å; L172-A256 VanDerWaalsContact CD1-CB 3.4Å; L204-A256 HydrophobicContact CD1-CB 4.07Å; E205-A256 CarbonylContact O-C 3.56Å; Y206-A256 HydrophobicContact CD1-CB 4.39Å; Y206-A256 HydrophobicContact CE1-CB 4.16Å; A256-T264 CarbonylContact O-C 3.57Å; A256-T264 VanDerWaalsContact O-CA 3.32Å; A256-T264 WeakPolarHBondContact O-CA 3.37Å; A256-V265 HydrophobicContact CB-CB 4.43Å; A256-V265 PolarHBondContact N-O 2.81Å; A256-V265 PolarHBondContact O-N 3.01Å; A256-F267 HydrophobicContact CB-CD2 4.42Å; A256-F267 HydrophobicContact CB-CE2 3.7Å
257F90.9Very high90.9Very high40 Ų4031.9 Ų31.918%0.17516%0.163CC..EExtended strand (participates in β ladder)trans-125.4133.9177.7176.6-120.4000109.8E205 I207 P259 I262 E263 T264E205-F257 PolarHBondContact N-O 3.5Å; E205-F257 PolarHBondContact O-N 3.46Å; I207-F257 HydrophobicContact CD1-CB 3.49Å; I207-F257 VanDerWaalsContact CD1-CB 3.49Å; I207-F257 HydrophobicContact CD1-CD1 4.11Å; I207-F257 HydrophobicContact CD1-CG 3.95Å; I207-F257 HydrophobicContact CG1-CB 4.29Å; F257-P259 HydrophobicContact CD1-CG 3.94Å; F257-P259 HydrophobicContact CE1-CB 4.04Å; F257-P259 HydrophobicContact CE1-CG 3.69Å; F257-P259 HydrophobicContact CZ-CB 4.46Å; F257-I262 HydrophobicContact CE2-CG2 4.1Å; F257-I262 HydrophobicContact CZ-CG2 4.47Å; F257-E263 WeakPolarHBondContact CA-O 3.44Å; F257-E263 WeakPolarHBondContact CD2-O 3.43Å; F257-T264 HydrophobicContact CB-CG2 4.5Å; F257-T264 HydrophobicContact CD2-CG2 3.51Å; F257-T264 HydrophobicContact CE2-CG2 4.17Å; F257-T264 HydrophobicContact CG-CG2 4.4Å
258R88.1Confident91.3Very high42 Ų4229.9 Ų29.916%0.15815%0.152CC..EExtended strand (participates in β ladder)trans-115.6106.1176.1-174.2173.4-158.1172.38.1109.1L168 D203 S260 T261 I262 E263L168-R258 HydrophobicContact CD2-CB 3.94Å; D203-R258 WeakPolarHBondContact OD1-CG 3.11Å; D203-R258 IonicContact OD1-CZ 3.63Å; D203-R258 IonicContact OD1-NE 3.7Å; D203-R258 PolarHBondContact OD1-NE 2.8Å; D203-R258 IonicContact OD1-NH2 3.48Å; D203-R258 PolarHBondContact OD1-NH2 2.63Å; D203-R258 WeakPolarHBondContact OD2-CG 3.28Å; D203-R258 IonicContact OD2-NE 3.61Å; R258-S260 PolarHBondContact O-N 2.85Å; R258-T261 WeakPolarHBondContact CB-OG1 3.21Å; R258-T261 WeakPolarHBondContact CD-OG1 3.34Å; R258-T261 HydrophobicContact CG-CG2 4.41Å; R258-T261 PolarHBondContact O-N 2.85Å; R258-I262 VanDerWaalsContact O-CA 3.27Å; R258-I262 WeakPolarHBondContact O-CA 3.24Å; R258-I262 PolarHBondContact O-N 3.37Å; R258-E263 PolarHBondContact N-O 3.03Å; R258-E263 PolarHBondContact O-N 3.12Å
259P87.8Confident91.5Very high39 Ų3931 Ų3125%0.25316%0.161SC..THydrogen-bonded Turntrans-63.8-35.3-175.8-24.136000114.6D203 E205 F257 T261 I262D203-P259 WeakPolarHBondContact O-CD 3Å; E205-P259 HydrophobicContact CG-CG 4.33Å; F257-P259 HydrophobicContact CD1-CG 3.94Å; F257-P259 HydrophobicContact CE1-CB 4.04Å; F257-P259 HydrophobicContact CE1-CG 3.69Å; F257-P259 HydrophobicContact CZ-CB 4.46Å; P259-T261 VanDerWaalsContact C-N 3.33Å; P259-T261 PolarHBondContact O-N 2.83Å; P259-I262 PolarHBondContact O-N 3.09Å
260S85.8Confident91.6Very high63 Ų6325 Ų2544%0.44114%0.143SC..THydrogen-bonded Turntrans-64.7-40.6179.964.40000111.8D203 R258D203-S260 VanDerWaalsContact CG-OG 3.3Å; D203-S260 WeakPolarHBondContact OD2-CA 3.39Å; D203-S260 WeakPolarHBondContact OD2-CB 3.3Å; D203-S260 PolarHBondContact OD2-N 3Å; D203-S260 PolarHBondContact OD2-OG 3.46Å; R258-S260 PolarHBondContact O-N 2.85Å
261T86.3Confident91.7Very high22 Ų2226.9 Ų26.914%0.13516%0.16CC..THydrogen-bonded Turntrans-88.6-27.1177.366.70000110.8P40 R159 R258 P259 E263P40-T261 WeakPolarHBondContact CB-O 3.36Å; P40-T261 WeakPolarHBondContact CG-O 3.2Å; R159-T261 PolarHBondContact NH1-O 2.87Å; R159-T261 PolarHBondContact NH2-O 3.05Å; R258-T261 WeakPolarHBondContact CB-OG1 3.21Å; R258-T261 WeakPolarHBondContact CD-OG1 3.34Å; R258-T261 HydrophobicContact CG-CG2 4.41Å; R258-T261 PolarHBondContact O-N 2.85Å; P259-T261 VanDerWaalsContact C-N 3.33Å; P259-T261 PolarHBondContact O-N 2.83Å; T261-E263 VanDerWaalsContact C-N 3.28Å; T261-E263 WeakPolarHBondContact OG1-CB 3.28Å; T261-E263 PolarHBondContact OG1-N 2.86Å
262I89.5Confident91.5Very high24 Ų2426.1 Ų26.112%0.12316%0.157CC..THydrogen-bonded Turntrans62.136-165.5-34.2168.7000111.4P18 P40 L42 R159 F257 R258 P259P18-I262 HydrophobicContact CB-CD1 4Å; P18-I262 HydrophobicContact CB-CG1 4.45Å; P18-I262 HydrophobicContact CG-CG1 4.48Å; P40-I262 HydrophobicContact CG-CD1 4.35Å; P40-I262 HydrophobicContact CG-CG1 4.37Å; L42-I262 HydrophobicContact CB-CD1 4.42Å; L42-I262 HydrophobicContact CB-CG2 4.3Å; L42-I262 HydrophobicContact CD2-CG2 3.84Å; L42-I262 HydrophobicContact CG-CG2 4.5Å; R159-I262 PolarHBondContact NH1-O 3.1Å; R159-I262 VanDerWaalsContact NH1-O 3.13Å; F257-I262 HydrophobicContact CE2-CG2 4.1Å; F257-I262 HydrophobicContact CZ-CG2 4.47Å; R258-I262 VanDerWaalsContact O-CA 3.27Å; R258-I262 WeakPolarHBondContact O-CA 3.24Å; R258-I262 PolarHBondContact O-N 3.37Å; P259-I262 PolarHBondContact O-N 3.09Å
263E89Confident91.3Very high2 Ų229 Ų291%0.00918%0.175CC..EExtended strand (participates in β ladder)trans-95.2137.5172.6-170.5170.7-169.500109.9R67 S167 L168 F257 R258 T261 V265R67-E263 IonicContact CZ-OE1 3.54Å; R67-E263 IonicContact NH1-OE1 3.09Å; R67-E263 PolarHBondContact NH1-OE1 2.81Å; R67-E263 IonicContact NH1-OE2 2.87Å; R67-E263 PolarHBondContact NH1-OE2 3.37Å; R67-E263 IonicContact NH2-OE1 2.83Å; R67-E263 PolarHBondContact NH2-OE1 3.06Å; S167-E263 PolarHBondContact OG-OE1 2.82Å; L168-E263 HydrophobicContact CB-CB 4.29Å; L168-E263 VanDerWaalsContact CB-CD 3.41Å; L168-E263 HydrophobicContact CB-CG 3.9Å; L168-E263 VanDerWaalsContact CB-OE2 3.25Å; L168-E263 WeakPolarHBondContact CB-OE2 3.49Å; L168-E263 VanDerWaalsContact N-CD 3.26Å; L168-E263 PolarHBondContact N-OE1 3.22Å; L168-E263 PolarHBondContact N-OE2 3.44Å; F257-E263 WeakPolarHBondContact CA-O 3.44Å; F257-E263 WeakPolarHBondContact CD2-O 3.43Å; R258-E263 PolarHBondContact N-O 3.03Å; R258-E263 PolarHBondContact O-N 3.12Å; T261-E263 VanDerWaalsContact C-N 3.28Å; T261-E263 WeakPolarHBondContact OG1-CB 3.28Å; T261-E263 PolarHBondContact OG1-N 2.86Å; E263-V265 HydrophobicContact CG-CG2 4.36Å
264T91.8Very high90.8Very high18 Ų1829.1 Ų29.111%0.1118%0.175CC..EExtended strand (participates in β ladder)trans-119.9137.2172.852.20000109.1Q129 L219 A256 F257Q129-T264 PolarHBondContact NE2-O 3.36Å; Q129-T264 PolarHBondContact OE1-O 3.23Å; L219-T264 HydrophobicContact CB-CG2 4.46Å; L219-T264 HydrophobicContact CD2-CG2 3.86Å; A256-T264 CarbonylContact O-C 3.57Å; A256-T264 VanDerWaalsContact O-CA 3.32Å; A256-T264 WeakPolarHBondContact O-CA 3.37Å; F257-T264 HydrophobicContact CB-CG2 4.5Å; F257-T264 HydrophobicContact CD2-CG2 3.51Å; F257-T264 HydrophobicContact CE2-CG2 4.17Å; F257-T264 HydrophobicContact CG-CG2 4.4Å
265V90.7Very high89.9Confident0 Ų034.1 Ų34.10%021%0.206CC..EExtended strand (participates in β ladder)trans-130.4119.2179.3178.20000108.6L168 A169 F255 A256 E263L168-V265 HydrophobicContact CB-CG2 3.79Å; L168-V265 HydrophobicContact CD2-CB 4.45Å; L168-V265 HydrophobicContact CD2-CG2 3.88Å; L168-V265 HydrophobicContact CG-CG2 3.79Å; A169-V265 HydrophobicContact CB-CG1 4.27Å; A169-V265 HydrophobicContact CB-CG2 3.91Å; F255-V265 CarbonylContact C-O 3.5Å; F255-V265 WeakPolarHBondContact CA-O 3.27Å; A256-V265 HydrophobicContact CB-CB 4.43Å; A256-V265 PolarHBondContact N-O 2.81Å; A256-V265 PolarHBondContact O-N 3.01Å; E263-V265 HydrophobicContact CG-CG2 4.36Å
266P92.4Very high88.5Confident30 Ų3035.9 Ų35.920%0.19522%0.215CC..EExtended strand (participates in β ladder)trans-73140.717629.8-33.1000110.9R175 F255R175-P266 VanDerWaalsContact CD-O 3.24Å; R175-P266 WeakPolarHBondContact CD-O 3.44Å; R175-P266 PolarHBondContact NH1-O 2.85Å; F255-P266 HydrophobicContact CD1-CB 3.96Å; F255-P266 HydrophobicContact CE1-CB 3.78Å
267F93Very high87.1Confident15 Ų1540.5 Ų40.57%0.06625%0.245CC..PPolyproline II helixtrans-96.6173.4167.2-84.6-122.9000110.4L172 R175 V177 W192 D193 Y206 V254 A256 S269L172-F267 HydrophobicContact CD1-CE2 4.06Å; L172-F267 HydrophobicContact CD1-CZ 4.27Å; R175-F267 HydrophobicContact CB-CB 4.44Å; R175-F267 HydrophobicContact CB-CD1 4.08Å; R175-F267 HydrophobicContact CB-CE1 4.49Å; R175-F267 HydrophobicContact CB-CG 4.15Å; R175-F267 WeakPolarHBondContact O-CD1 3.23Å; V177-F267 HydrophobicContact CG2-CB 3.88Å; V177-F267 HydrophobicContact CG2-CD1 4.19Å; W192-F267 HydrophobicContact CB-CD1 4.34Å; W192-F267 HydrophobicContact CB-CE1 4.4Å; D193-F267 WeakPolarHBondContact O-CE1 3.47Å; Y206-F267 HydrophobicContact CE1-CE1 4.42Å; Y206-F267 HydrophobicContact CE1-CE2 4.13Å; Y206-F267 AromaticContact CE1-CZ 3.79Å; Y206-F267 HydrophobicContact CE1-CZ 3.79Å; V254-F267 HydrophobicContact CB-CB 3.88Å; V254-F267 HydrophobicContact CG1-CB 4.17Å; V254-F267 HydrophobicContact CG1-CG 4.3Å; V254-F267 WeakPolarHBondContact O-CB 3.32Å; V254-F267 PolarHBondContact O-N 2.79Å; A256-F267 HydrophobicContact CB-CD2 4.42Å; A256-F267 HydrophobicContact CB-CE2 3.7Å; F267-S269 PolarHBondContact O-N 3.05Å
268D92.8Very high85.4Confident96 Ų9642.1 Ų42.151%0.51326%0.256SS..PPolyproline II helixtrans-57.3138.6172.3-66.5-17.7000110.2R175 G176 V177R175-D268 WeakPolarHBondContact O-CB 3.41Å; R175-D268 PolarHBondContact O-N 2.93Å; G176-D268 WeakPolarHBondContact CA-OD2 3.38Å; V177-D268 WeakPolarHBondContact CB-O 3.1Å; V177-D268 WeakPolarHBondContact CG2-O 3.31Å
269S92.9Very high84.1Confident57 Ų5741.8 Ų41.840%0.39926%0.26SS..PPolyproline II helixtrans-88.9154174.864.90000110.8L252 F267L252-S269 WeakPolarHBondContact O-CA 3.36Å; L252-S269 WeakPolarHBondContact O-CB 3.34Å; F267-S269 PolarHBondContact O-N 3.05Å
270A94.6Very high83.5Confident22 Ų2241.6 Ų41.618%0.18225%0.254CS..EExtended strand (participates in β ladder)trans-133.9156.7177.600000110.2V177 V179 L252V177-A270 HydrophobicContact CG1-CB 4.4Å; V179-A270 HydrophobicContact CG2-CB 3.8Å; L252-A270 HydrophobicContact CB-CB 4.43Å; L252-A270 HydrophobicContact CD2-CB 4.41Å; L252-A270 PolarHBondContact N-O 2.82Å; L252-A270 PolarHBondContact O-N 3.2Å
271A94.4Very high83.1Confident48 Ų4839.8 Ų39.840%0.39724%0.241SC..EExtended strand (participates in β ladder)trans-132143.1169.600000109.3Y250 F251Y250-A271 VanDerWaalsContact O-CA 3.23Å; Y250-A271 WeakPolarHBondContact O-CA 3.37Å; F251-A271 HydrophobicContact CD1-CB 3.94Å; F251-A271 HydrophobicContact CE1-CB 4.25Å
272F92.5Very high83.1Confident24 Ų2443.1 Ų43.111%0.10527%0.265CS..EExtended strand (participates in β ladder)trans-145151.6178.660.9-88.9000110V179 V188 L210 L244 R249 Y250 L252 T274V179-F272 HydrophobicContact CB-CD1 4.41Å; V179-F272 HydrophobicContact CG1-CB 4.28Å; V179-F272 HydrophobicContact CG1-CD1 3.74Å; V179-F272 HydrophobicContact CG1-CE1 4.21Å; V179-F272 HydrophobicContact CG1-CG 3.99Å; V179-F272 HydrophobicContact CG2-CD1 4.24Å; V188-F272 HydrophobicContact CB-CE2 4.23Å; V188-F272 HydrophobicContact CB-CZ 4.42Å; V188-F272 HydrophobicContact CG1-CD1 4.48Å; V188-F272 HydrophobicContact CG1-CD2 4.18Å; V188-F272 HydrophobicContact CG1-CE1 4.12Å; V188-F272 HydrophobicContact CG1-CE2 3.82Å; V188-F272 HydrophobicContact CG1-CZ 3.77Å; V188-F272 HydrophobicContact CG2-CD2 4.11Å; V188-F272 HydrophobicContact CG2-CE2 3.73Å; V188-F272 HydrophobicContact CG2-CZ 4.4Å; L210-F272 HydrophobicContact CD1-CE1 3.85Å; L210-F272 HydrophobicContact CD1-CZ 3.8Å; L244-F272 HydrophobicContact CD1-CE2 3.77Å; L244-F272 HydrophobicContact CD1-CZ 3.95Å; R249-F272 WeakPolarHBondContact CA-O 3.41Å; Y250-F272 AromaticContact CD2-CE2 3.98Å; Y250-F272 HydrophobicContact CD2-CE2 3.98Å; Y250-F272 HydrophobicContact CD2-CZ 4.46Å; Y250-F272 HydrophobicContact CG-CE2 4.26Å; Y250-F272 HydrophobicContact CG-CZ 4.31Å; Y250-F272 PolarHBondContact N-O 3.05Å; Y250-F272 PolarHBondContact O-N 2.74Å; L252-F272 HydrophobicContact CB-CE1 4.39Å; F272-T274 HydrophobicContact CD2-CG2 4.34Å; F272-T274 HydrophobicContact CE2-CG2 4.11Å
273T90.5Very high83.1Confident62 Ų6243.7 Ų43.738%0.3827%0.271SS..EExtended strand (participates in β ladder)trans-110.8130.3172-56.70000107.6Q181 T275Q181-T273 PolarHBondContact OE1-O 3.15Å; T273-T275 PolarHBondContact O-N 2.79Å
274T84.3Confident83.4Confident3 Ų349.5 Ų49.52%0.01831%0.307CS..  trans-74.3119.6178.746.80000110.3V188 L244 L245 T246 D247 V248 Y250 F272V188-T274 HydrophobicContact CG2-CG2 4.5Å; L244-T274 HydrophobicContact CB-CG2 3.9Å; L244-T274 HydrophobicContact CD1-CG2 4.24Å; L245-T274 WeakPolarHBondContact O-CB 3.33Å; L245-T274 PolarHBondContact O-OG1 2.91Å; T246-T274 WeakPolarHBondContact CA-OG1 3.36Å; D247-T274 VanDerWaalsContact CA-O 3.31Å; D247-T274 WeakPolarHBondContact CA-O 3.24Å; D247-T274 PolarHBondContact N-O 2.92Å; D247-T274 PolarHBondContact N-OG1 2.97Å; V248-T274 PolarHBondContact N-OG1 3.49Å; V248-T274 PolarHBondContact O-N 2.83Å; V248-T274 PolarHBondContact O-OG1 3Å; Y250-T274 HydrophobicContact CD2-CG2 4.04Å; Y250-T274 HydrophobicContact CE2-CG2 3.95Å; F272-T274 HydrophobicContact CD2-CG2 4.34Å; F272-T274 HydrophobicContact CE2-CG2 4.11Å
275T75.5Confident83.6Confident106 Ų10649.2 Ų49.265%0.6531%0.305SS*.  trans-93.5-31.7-175.4570000114.6Q181 T273Q181-T275 VanDerWaalsContact OE1-N 3.08Å; Q181-T275 PolarHBondContact OE1-OG1 3.12Å; T273-T275 PolarHBondContact O-N 2.79Å
276N65.4Low83.8Confident40 Ų4053.3 Ų53.321%0.21433%0.33CS..SBendtrans-87151.7-175-80-6.6000112.1S182 A183 G186 T246S182-N276 PolarHBondContact O-ND2 3.19Å; A183-N276 VanDerWaalsContact C-ND2 3.27Å; A183-N276 PolarHBondContact O-ND2 2.81Å; G186-N276 PolarHBondContact N-ND2 3.31Å; T246-N276 WeakPolarHBondContact CB-O 3.22Å; T246-N276 WeakPolarHBondContact CG2-O 3.44Å
277P60.2Low84Confident97 Ų9754.9 Ų54.963%0.6334%0.336SS*.  trans-53.7160.9166.822.7-31.4000110.5S279P277-S279 PolarHBondContact O-N 2.88Å; P277-S279 PolarHBondContact O-OG 2.75Å
278L55.8Low84.1Confident75 Ų7555.1 Ų55.139%0.39334%0.343SS..  trans-61.179.5174.6-87.3161.7000108.6G243 L244 L245 T246G243-L278 WeakPolarHBondContact O-CD2 3.37Å; L244-L278 WeakPolarHBondContact O-CD2 3.18Å; L245-L278 HydrophobicContact CD2-CD1 4.28Å; T246-L278 HydrophobicContact CG2-CB 4.21Å; T246-L278 HydrophobicContact CG2-CG 3.86Å
279S61.2Low84.2Confident35 Ų3555.9 Ų55.925%0.24534%0.344CS..  trans-92.8107.7170.443.80000106.3D185 P277D185-S279 VanDerWaalsContact CA-OG 3.23Å; D185-S279 WeakPolarHBondContact CA-OG 3.05Å; D185-S279 PolarHBondContact O-OG 2.83Å; P277-S279 PolarHBondContact O-N 2.88Å; P277-S279 PolarHBondContact O-OG 2.75Å
280Y74.7Confident84.3Confident34 Ų3455 Ų5513%0.13333%0.334CS..  trans-69.2138.2162.9-60.5-65.9000107.6S282 A302 I304 F364Y280-S282 PolarHBondContact O-N 2.88Å; Y280-S282 VanDerWaalsContact O-N 3.16Å; Y280-A302 HydrophobicContact CD1-CB 3.49Å; Y280-A302 VanDerWaalsContact CD1-CB 3.49Å; Y280-A302 HydrophobicContact CE1-CB 3.63Å; Y280-A302 HydrophobicContact CG-CB 4.01Å; Y280-I304 HydrophobicContact CD2-CD1 4.08Å; Y280-I304 HydrophobicContact CD2-CG1 4.48Å; Y280-I304 HydrophobicContact CG-CD1 4.49Å; Y280-F364 HydrophobicContact CE1-CE1 4.37Å; Y280-F364 HydrophobicContact CE2-CE1 4.26Å; Y280-F364 AromaticContact CZ-CE1 3.83Å
281P79Confident84.3Confident26 Ų2655.5 Ų55.517%0.16934%0.336CS..  trans-45.8127.1170.8-25.728.6000109.8A302 R303 I304P281-A302 WeakPolarHBondContact CD-O 3.26Å; P281-R303 WeakPolarHBondContact O-CA 3.42Å; P281-R303 WeakPolarHBondContact O-CG 3.45Å; P281-I304 PolarHBondContact O-N 3.47Å
282S85.1Confident84.4Confident92 Ų9258 Ų5864%0.64334%0.341SS*.EExtended strand (participates in β ladder)trans-108.1136.7177.660.30000110.9Y280 I304Y280-S282 PolarHBondContact O-N 2.88Å; Y280-S282 VanDerWaalsContact O-N 3.16Å; S282-I304 CarbonylContact C-O 3.55Å; S282-I304 WeakPolarHBondContact CA-O 3.5Å
283S90.2Very high84.4Confident35 Ų3556.8 Ų56.825%0.24534%0.336CS..EExtended strand (participates in β ladder)trans-129138.217246.10000110.4I304 H305 V306S283-I304 PolarHBondContact N-O 3.48Å; S283-H305 CarbonylContact O-C 3.59Å; S283-H305 VanDerWaalsContact O-CA 3.27Å; S283-H305 WeakPolarHBondContact O-CA 3.2Å; S283-H305 PolarHBondContact OG-CE1 2.93Å; S283-H305 PolarHBondContact OG-ND1 3.3Å; S283-V306 PolarHBondContact O-N 2.86Å
284T94.3Very high84.5Confident125 Ų12559.2 Ų59.277%0.76734%0.343SS*.EExtended strand (participates in β ladder)trans-76.3135.1170.450.90000109.7V306T284-V306 CarbonylContact C-O 3.53Å; T284-V306 WeakPolarHBondContact CA-O 3.27Å
285I96.2Very high84.7Confident12 Ų1259.4 Ų59.46%0.06234%0.343CS..  trans-112.8151.9172.260.7168.6000109.9T291 H305 V306 L307 I361 L375 A377I285-T291 HydrophobicContact CG2-CG2 4.01Å; I285-T291 WeakPolarHBondContact CG2-OG1 3.38Å; I285-H305 HydrophobicContact CD1-CB 4.18Å; I285-H305 HydrophobicContact CG1-CB 4.38Å; I285-H305 HydrophobicContact CG2-CB 3.92Å; I285-V306 PolarHBondContact N-O 3.33Å; I285-L307 HydrophobicContact CD1-CB 4.09Å; I285-L307 HydrophobicContact CG1-CB 3.86Å; I285-L307 HydrophobicContact CG1-CD1 4.31Å; I285-I361 HydrophobicContact CD1-CD1 4.22Å; I285-L375 HydrophobicContact CD1-CD2 4.01Å; I285-L375 HydrophobicContact CD1-CG 4.46Å; I285-A377 HydrophobicContact CD1-CB 4.09Å
286V95.7Very high85Confident85 Ų8555.3 Ų55.352%0.51532%0.322SS..  trans-96.6138.9-179.7-177.90000109.3G288 Q289V286-G288 PolarHBondContact O-N 2.88Å; V286-Q289 HydrophobicContact CB-CB 3.91Å; V286-Q289 HydrophobicContact CG1-CB 4.39Å; V286-Q289 PolarHBondContact O-N 3.31Å; V286-Q289 VanDerWaalsContact O-N 3.1Å
287D95.6Very high85.6Confident63 Ų6354.2 Ų54.234%0.33732%0.316SS..THydrogen-bonded Turntrans-55.2129.2176.6-172.182.7000110.7Q289 L307 S378 V379D287-Q289 PolarHBondContact O-N 3.21Å; D287-L307 HydrophobicContact CB-CD1 4.06Å; D287-S378 WeakPolarHBondContact OD1-CA 3.12Å; D287-S378 PolarHBondContact OD1-OG 2.85Å; D287-S378 PolarHBondContact OD2-OG 3.21Å; D287-V379 PolarHBondContact OD1-N 2.6Å; D287-V379 VanDerWaalsContact OD1-N 3.14Å
288G95.1Very high86.2Confident21 Ų2149.7 Ų49.722%0.21629%0.287CS..THydrogen-bonded Turntrans77-4.1178.500000115.1V286 W376 A377V286-G288 PolarHBondContact O-N 2.88Å; G288-W376 VanDerWaalsContact C-NE1 3.34Å; G288-W376 VanDerWaalsContact O-CD1 3.31Å; G288-W376 PolarHBondContact O-NE1 2.81Å; G288-A377 PolarHBondContact N-O 2.79Å
289Q95.2Very high87.1Confident111 Ų11150.1 Ų50.152%0.51929%0.287SS..  trans-97.7131.7-178.8-167.3176.5-0.800112.2V286 D287 T291V286-Q289 HydrophobicContact CB-CB 3.91Å; V286-Q289 HydrophobicContact CG1-CB 4.39Å; V286-Q289 PolarHBondContact O-N 3.31Å; V286-Q289 VanDerWaalsContact O-N 3.1Å; D287-Q289 PolarHBondContact O-N 3.21Å; Q289-T291 PolarHBondContact O-N 2.92Å
290L94.7Very high87.6Confident38 Ų3853.1 Ų53.120%0.19929%0.293CS..  trans-73.1125.9173.5-168.772.1000110.8K374 W376 P385 Y386 E497L290-K374 HydrophobicContact CD1-CB 3.97Å; L290-K374 HydrophobicContact CD2-CD 4.18Å; L290-K374 HydrophobicContact CG-CB 4.35Å; L290-W376 HydrophobicContact CD1-CB 3.79Å; L290-P385 HydrophobicContact CD1-CG 4.2Å; L290-Y386 HydrophobicContact CD1-CE2 4.37Å; L290-E497 HydrophobicContact CD2-CG 3.43Å; L290-E497 VanDerWaalsContact CD2-CG 3.43Å; L290-E497 WeakPolarHBondContact CD2-OE1 3.26Å
291T95.9Very high88Confident34 Ų3451.8 Ų51.821%0.20929%0.289CS..EExtended strand (participates in β ladder)trans-112.8132.3179-58.80000110I285 Q289 K374 L375I285-T291 HydrophobicContact CG2-CG2 4.01Å; I285-T291 WeakPolarHBondContact CG2-OG1 3.38Å; Q289-T291 PolarHBondContact O-N 2.92Å; T291-K374 CarbonylContact O-C 3.55Å; T291-K374 WeakPolarHBondContact O-CA 3.49Å; T291-L375 PolarHBondContact N-O 3.28Å; T291-L375 PolarHBondContact O-N 2.95Å
292I94.5Very high88.4Confident99 Ų9950.6 Ų50.651%0.50828%0.281SS..EExtended strand (participates in β ladder)trans-100.5129.4174-51.8-178000108.7T372 K374I292-T372 HydrophobicContact CG2-CG2 4.22Å; I292-K374 HydrophobicContact CG1-CG 4.3Å
293A94.2Very high88.7Confident0 Ų049.8 Ų49.80%027%0.265CS..EExtended strand (participates in β ladder)trans-137.9160.2-178.900000112.1Y373A293-Y373 HydrophobicContact CB-CD1 4.47Å; A293-Y373 HydrophobicContact CB-CD2 4.46Å; A293-Y373 HydrophobicContact CB-CE1 3.78Å; A293-Y373 HydrophobicContact CB-CE2 3.79Å; A293-Y373 VanDerWaalsContact CB-CZ 3.43Å; A293-Y373 WeakPolarHBondContact CB-OH 3.06Å; A293-Y373 PolarHBondContact N-O 2.79Å; A293-Y373 WeakPolarHBondContact O-CD1 2.9Å; A293-Y373 PolarHBondContact O-N 3.02Å
294H91.4Very high88.8Confident113 Ų11349.1 Ų49.152%0.52326%0.258SS..EExtended strand (participates in β ladder)trans-129.3141.5-174.7-55.284.8000109.5K371 T372H294-K371 CarbonylContact C-O 3.54Å; H294-K371 VanDerWaalsContact CA-O 3.26Å; H294-K371 WeakPolarHBondContact CA-O 3.4Å; H294-T372 PolarHBondContact CD2-OG1 2.9Å; H294-T372 VanDerWaalsContact CD2-OG1 3.28Å
295L89.3Confident88.9Confident6 Ų643.2 Ų43.23%0.03122%0.221CC..EExtended strand (participates in β ladder)trans-116.8142.5168.5-51.3177.7000108.6R303 L327 V363 N365 K371 Y373L295-R303 HydrophobicContact CD2-CB 3.86Å; L295-L327 HydrophobicContact CD1-CD2 3.95Å; L295-V363 HydrophobicContact CD1-CG1 4.18Å; L295-N365 HydrophobicContact CB-CB 4.34Å; L295-N365 HydrophobicContact CD1-CB 4.03Å; L295-N365 VanDerWaalsContact CD1-N 3.33Å; L295-K371 HydrophobicContact CB-CB 4.03Å; L295-K371 HydrophobicContact CB-CG 4.5Å; L295-K371 HydrophobicContact CD1-CB 4.24Å; L295-K371 HydrophobicContact CG-CB 4.3Å; L295-K371 PolarHBondContact N-O 2.01Å; L295-K371 PolarHBondContact O-N 2.04Å; L295-K371 VanDerWaalsContact O-N 3.1Å; L295-Y373 HydrophobicContact CD1-CE1 4.18Å; L295-Y373 HydrophobicContact CD2-CE1 4.01Å; L295-Y373 HydrophobicContact CG-CD1 4.44Å; L295-Y373 HydrophobicContact CG-CE1 3.76Å
296G82.1Confident88.9Confident20 Ų2043.3 Ų43.321%0.20622%0.223CC..  trans-72.3177.2177.700000113.1S298 S301 N365G296-S298 PolarHBondContact O-N 3.17Å; G296-S301 PolarHBondContact N-OG 2.97Å; G296-N365 PolarHBondContact O-ND2 3.38Å
297L77.7Confident88.9Confident18 Ų1839.4 Ų39.49%0.09420%0.199CC..SBendtrans-63.56.4-175.2-64.5164.9000116F229 I231 L239 D368 E370F229-L297 HydrophobicContact CD1-CB 4.41Å; F229-L297 WeakPolarHBondContact CD1-O 2.98Å; I231-L297 HydrophobicContact CD1-CD1 3.91Å; I231-L297 HydrophobicContact CG1-CD1 3.4Å; L239-L297 HydrophobicContact CD1-CD1 4.03Å; L297-D368 CarbonylContact O-C 3.52Å; L297-D368 WeakPolarHBondContact O-CA 3.35Å; L297-D368 VanDerWaalsContact O-O 3.05Å; L297-E370 HydrophobicContact CD2-CB 4.1Å; L297-E370 HydrophobicContact CD2-CG 3.63Å; L297-E370 HydrophobicContact CG-CG 3.78Å
298S71.9Confident88.9Confident2 Ų240.8 Ų40.81%0.01421%0.21CC..SBendtrans-111.7138.4-174.1-1780000110.8G296 Y300 S301 N365 D367G296-S298 PolarHBondContact O-N 3.17Å; S298-Y300 PolarHBondContact O-N 3.11Å; S298-Y300 WeakPolarHBondContact OG-CD2 3.45Å; S298-Y300 PolarHBondContact OG-N 2.84Å; S298-Y300 VanDerWaalsContact OG-N 3.13Å; S298-S301 WeakPolarHBondContact O-CB 3.43Å; S298-S301 PolarHBondContact O-N 3.48Å; S298-N365 VanDerWaalsContact O-CB 3.23Å; S298-N365 WeakPolarHBondContact O-CB 3.39Å; S298-N365 PolarHBondContact O-ND2 3.43Å; S298-D367 CarbonylContact C-O 3.57Å
299Q74.2Confident88.9Confident84 Ų8440.1 Ų40.139%0.39320%0.202SC..THydrogen-bonded Turntrans-56.8-17166.163.6174.6-13.700113.8D367 D368Q299-D367 WeakPolarHBondContact CA-O 3.24Å; Q299-D367 PolarHBondContact N-O 3.45Å; Q299-D368 PolarHBondContact N-OD1 3.06Å
300Y72.2Confident88.9Confident97 Ų9743 Ų4338%0.3822%0.215SC..THydrogen-bonded Turntrans-87.4-12.1174.5-58.3-76.5000113M227 S242 S298 A302M227-Y300 HydrophobicContact CG-CE2 4.23Å; M227-Y300 HydrophobicContact SD-CD2 3.83Å; M227-Y300 HydrophobicContact SD-CE2 3.31Å; M227-Y300 WeakPolarHBondContact SD-CE2 3.42Å; S242-Y300 CarbonylContact O-C 3.59Å; S298-Y300 PolarHBondContact O-N 3.11Å; S298-Y300 WeakPolarHBondContact OG-CD2 3.45Å; S298-Y300 PolarHBondContact OG-N 2.84Å; S298-Y300 VanDerWaalsContact OG-N 3.13Å; Y300-A302 PolarHBondContact O-N 2.9Å
301S82.7Confident88.8Confident6 Ų648.6 Ų48.64%0.04224%0.238CC..  trans-65.4119.7175.7-173.40000109.5G296 S298 N365G296-S301 PolarHBondContact N-OG 2.97Å; S298-S301 WeakPolarHBondContact O-CB 3.43Å; S298-S301 PolarHBondContact O-N 3.48Å; S301-N365 WeakPolarHBondContact O-CB 2.99Å; S301-N365 PolarHBondContact O-N 3.09Å
302A88.2Confident88.7Confident1 Ų152 Ų521%0.00826%0.26CS..EExtended strand (participates in β ladder)trans-142.3159.5171.500000110.8Y280 P281 Y300 V363 F364Y280-A302 HydrophobicContact CD1-CB 3.49Å; Y280-A302 VanDerWaalsContact CD1-CB 3.49Å; Y280-A302 HydrophobicContact CE1-CB 3.63Å; Y280-A302 HydrophobicContact CG-CB 4.01Å; P281-A302 WeakPolarHBondContact CD-O 3.26Å; Y300-A302 PolarHBondContact O-N 2.9Å; A302-V363 CarbonylContact C-O 3.54Å; A302-V363 WeakPolarHBondContact CA-O 3.21Å; A302-V363 WeakPolarHBondContact CB-O 3.49Å; A302-F364 HydrophobicContact CB-CB 4.24Å; A302-F364 HydrophobicContact CB-CD1 3.37Å; A302-F364 HydrophobicContact CB-CE1 3.85Å; A302-F364 HydrophobicContact CB-CG 3.8Å
303R91.3Very high88.7Confident76 Ų7648.3 Ų48.329%0.28725%0.245SC..EExtended strand (participates in β ladder)trans-134.7140.8177.4178.7169.3-81.6-174.4-5.4109.1P281 L295 R362 V363P281-R303 WeakPolarHBondContact O-CA 3.42Å; P281-R303 WeakPolarHBondContact O-CG 3.45Å; L295-R303 HydrophobicContact CD2-CB 3.86Å; R303-R362 WeakPolarHBondContact O-CA 3.33Å; R303-V363 PolarHBondContact N-O 3.03Å; R303-V363 PolarHBondContact O-N 3.35Å
304I92.2Very high88.7Confident21 Ų2153 Ų5311%0.10828%0.277CS..EExtended strand (participates in β ladder)trans-103.7124.8175.2-64.4169.8000108.4Y280 P281 S282 S283 V306 R360 I361 R362Y280-I304 HydrophobicContact CD2-CD1 4.08Å; Y280-I304 HydrophobicContact CD2-CG1 4.48Å; Y280-I304 HydrophobicContact CG-CD1 4.49Å; P281-I304 PolarHBondContact O-N 3.47Å; S282-I304 CarbonylContact C-O 3.55Å; S282-I304 WeakPolarHBondContact CA-O 3.5Å; S283-I304 PolarHBondContact N-O 3.48Å; I304-V306 HydrophobicContact CG2-CG2 4.15Å; I304-R360 HydrophobicContact CG2-CB 4.04Å; I304-R360 HydrophobicContact CG2-CG 4.23Å; I304-I361 WeakPolarHBondContact CA-O 3.29Å; I304-R362 HydrophobicContact CG1-CB 4.1Å; I304-R362 HydrophobicContact CG1-CG 3.88Å
305H96.3Very high88.8Confident0 Ų049 Ų490%026%0.263CS..EExtended strand (participates in β ladder)trans-101.3129.4170.4-63-81.7000109.6S283 I285 R360 I361 Y373 L375S283-H305 CarbonylContact O-C 3.59Å; S283-H305 VanDerWaalsContact O-CA 3.27Å; S283-H305 WeakPolarHBondContact O-CA 3.2Å; S283-H305 PolarHBondContact OG-CE1 2.93Å; S283-H305 PolarHBondContact OG-ND1 3.3Å; I285-H305 HydrophobicContact CD1-CB 4.18Å; I285-H305 HydrophobicContact CG1-CB 4.38Å; I285-H305 HydrophobicContact CG2-CB 3.92Å; H305-R360 CarbonylContact O-C 3.57Å; H305-R360 WeakPolarHBondContact O-CA 3.33Å; H305-I361 HydrophobicContact CB-CB 4.32Å; H305-I361 PolarHBondContact N-O 3.4Å; H305-I361 PolarHBondContact O-N 3.3Å; H305-Y373 AromaticContact NE2-CE2 3.67Å; H305-Y373 AromaticContact NE2-CZ 3.62Å; H305-Y373 PolarHBondContact NE2-OH 2.78Å; H305-L375 HydrophobicContact CB-CD2 3.56Å; H305-L375 WeakPolarHBondContact CD2-CD2 3.42Å
306V95.7Very high89.2Confident15 Ų1548.8 Ų48.89%0.09126%0.261CS..EExtended strand (participates in β ladder)trans-109.5118.5-178.2-1720000108.9S283 T284 I285 I304 E358 L359 R360S283-V306 PolarHBondContact O-N 2.86Å; T284-V306 CarbonylContact C-O 3.53Å; T284-V306 WeakPolarHBondContact CA-O 3.27Å; I285-V306 PolarHBondContact N-O 3.33Å; I304-V306 HydrophobicContact CG2-CG2 4.15Å; V306-E358 HydrophobicContact CG1-CB 4.45Å; V306-E358 HydrophobicContact CG1-CG 4.43Å; V306-L359 WeakPolarHBondContact CA-O 3.25Å; V306-R360 HydrophobicContact CG2-CG 4.34Å
307L96.6Very high89.9Confident3 Ų349.2 Ų49.22%0.01626%0.259CS..EExtended strand (participates in β ladder)trans-109.6130.9171.4178.165.4000108.9I285 D287 L316 L359 A377I285-L307 HydrophobicContact CD1-CB 4.09Å; I285-L307 HydrophobicContact CG1-CB 3.86Å; I285-L307 HydrophobicContact CG1-CD1 4.31Å; D287-L307 HydrophobicContact CB-CD1 4.06Å; L307-L316 HydrophobicContact CD2-CD1 3.94Å; L307-L359 HydrophobicContact CB-CB 4.36Å; L307-L359 HydrophobicContact CD2-CD2 4.32Å; L307-L359 PolarHBondContact N-O 2.99Å; L307-L359 PolarHBondContact O-N 3.14Å; L307-A377 HydrophobicContact CD2-CB 3.86Å
308T96.2Very high90.9Very high91 Ų9148.4 Ų48.456%0.55825%0.254SS*.EExtended strand (participates in β ladder)trans-90.5118172.9-56.40000109.2
309V95.5Very high92.1Very high8 Ų848.3 Ų48.35%0.04825%0.254CS..EExtended strand (participates in β ladder)trans-92.6104.9174.4-179.20000107.8K311 L316 A356 G357 L359 V379V309-K311 VanDerWaalsContact CG1-O 3.25Å; V309-K311 WeakPolarHBondContact CG1-O 3.29Å; V309-K311 PolarHBondContact O-N 2.88Å; V309-L316 HydrophobicContact CG2-CD1 3.79Å; V309-A356 CarbonylContact O-C 3.55Å; V309-A356 VanDerWaalsContact O-CA 3.29Å; V309-A356 WeakPolarHBondContact O-CA 3.44Å; V309-G357 PolarHBondContact N-O 3.23Å; V309-G357 PolarHBondContact O-N 2.81Å; V309-L359 HydrophobicContact CG2-CB 4.38Å; V309-V379 HydrophobicContact CG1-CG1 4.4Å
310E93.4Very high93.2Very high170 Ų17044.3 Ų44.379%0.79424%0.235SC*.  trans-68.7-35.1-172.4-61.7-176.3171.200113.7
311K93.8Very high94.3Very high157 Ų15740.1 Ų40.168%0.68322%0.218SC*.SBendtrans-135.7151.3-176.2-64.7179.1-174172.60110.1V309 A313V309-K311 VanDerWaalsContact CG1-O 3.25Å; V309-K311 WeakPolarHBondContact CG1-O 3.29Å; V309-K311 PolarHBondContact O-N 2.88Å; K311-A313 PolarHBondContact O-N 2.94Å
312P93.8Very high94.8Very high105 Ų10539.9 Ų39.968%0.68222%0.217SC*.  trans-55.9135.2172.3-21.733.4000110.8M354 A356P312-M354 CarbonylContact C-O 3.54Å; P312-M354 WeakPolarHBondContact CA-O 3.09Å; P312-A356 HydrophobicContact CG-CB 4.43Å
313A93.3Very high95Very high22 Ų2240 Ų4018%0.18222%0.217CC..EExtended strand (participates in β ladder)trans-129.3143.1-178.400000110K311 S315 M354 V379K311-A313 PolarHBondContact O-N 2.94Å; A313-S315 PolarHBondContact O-N 3.35Å; A313-M354 HydrophobicContact CB-CB 4.45Å; A313-M354 PolarHBondContact N-O 3.36Å; A313-M354 PolarHBondContact O-N 2.94Å; A313-V379 HydrophobicContact CB-CB 4.07Å; A313-V379 HydrophobicContact CB-CG1 3.71Å
314S94.1Very high94.9Very high97 Ų9737.9 Ų37.968%0.67821%0.213SC*.EExtended strand (participates in β ladder)trans-64.1-34.3177.1530000111.9T352 N353S314-T352 CarbonylContact O-C 3.49Å; S314-T352 WeakPolarHBondContact O-CA 3.22Å; S314-N353 PolarHBondContact O-N 3.25Å
315S94.6Very high94.6Very high31 Ų3138.3 Ų38.322%0.21722%0.223CC..EExtended strand (participates in β ladder)trans-150.5156.6176.3590000113.1A313 E350 L351A313-S315 PolarHBondContact O-N 3.35Å; S315-E350 WeakPolarHBondContact CB-OE1 3.43Å; S315-E350 PolarHBondContact OG-OE1 3.02Å; S315-L351 CarbonylContact C-O 3.56Å; S315-L351 VanDerWaalsContact CA-O 3.22Å; S315-L351 WeakPolarHBondContact CA-O 3.09Å
316L96.8Very high94.4Very high0 Ų039.4 Ų39.40%023%0.23CC..EExtended strand (participates in β ladder)trans-139.2129.3173.9-177.7154000108.1L307 V309 I318 L351 M354 L359 A377 V379L307-L316 HydrophobicContact CD2-CD1 3.94Å; V309-L316 HydrophobicContact CG2-CD1 3.79Å; L316-I318 HydrophobicContact CD2-CD1 4.2Å; L316-I318 HydrophobicContact CD2-CG1 3.53Å; L316-L351 PolarHBondContact N-O 2.81Å; L316-L351 PolarHBondContact O-N 3.13Å; L316-M354 HydrophobicContact CB-CG 3.66Å; L316-M354 HydrophobicContact CD1-CE 4.49Å; L316-L359 HydrophobicContact CD1-CD2 3.81Å; L316-L359 HydrophobicContact CD2-CD2 3.59Å; L316-L359 HydrophobicContact CG-CD2 4.4Å; L316-A377 HydrophobicContact CD2-CB 4.47Å; L316-V379 HydrophobicContact CB-CG1 4.26Å; L316-V379 HydrophobicContact CD1-CG1 3.86Å; L316-V379 HydrophobicContact CG-CG1 4.23Å
317L97.5Very high94.3Very high30 Ų3038.7 Ų38.716%0.15723%0.226CC..EExtended strand (participates in β ladder)trans-97.2134.5178.8-60.5-179.5000109.7T348 E350 W376 A377 S378 A381L317-T348 HydrophobicContact CB-CG2 4.22Å; L317-T348 HydrophobicContact CD2-CG2 4.3Å; L317-E350 HydrophobicContact CD2-CB 3.64Å; L317-E350 HydrophobicContact CD2-CG 3.77Å; L317-W376 HydrophobicContact CB-CH2 3.92Å; L317-W376 HydrophobicContact CB-CZ3 3.52Å; L317-W376 HydrophobicContact CD1-CH2 4.27Å; L317-W376 HydrophobicContact CD1-CZ3 4.39Å; L317-A377 CarbonylContact O-C 3.47Å; L317-A377 WeakPolarHBondContact O-CA 3.48Å; L317-S378 PolarHBondContact N-O 2.78Å; L317-S378 PolarHBondContact O-N 2.84Å; L317-A381 HydrophobicContact CD1-CB 3.81Å
318I97.7Very high94.2Very high0 Ų043.6 Ų43.60%024%0.244CC..EExtended strand (participates in β ladder)trans-118.8121.3171.1-56173.8000107.9L316 L320 A331 W341 T348 V349 L351 L359 I361 L375 W376 A377L316-I318 HydrophobicContact CD2-CD1 4.2Å; L316-I318 HydrophobicContact CD2-CG1 3.53Å; I318-L320 HydrophobicContact CG2-CD1 3.73Å; I318-A331 HydrophobicContact CD1-CB 4.31Å; I318-W341 HydrophobicContact CD1-CH2 4.1Å; I318-W341 HydrophobicContact CD1-CZ2 4.49Å; I318-W341 HydrophobicContact CG2-CZ2 4.36Å; I318-T348 CarbonylContact O-C 3.52Å; I318-T348 VanDerWaalsContact O-CA 3.3Å; I318-T348 WeakPolarHBondContact O-CA 3.36Å; I318-V349 PolarHBondContact N-O 2.97Å; I318-V349 PolarHBondContact O-N 3.14Å; I318-L351 HydrophobicContact CD1-CD1 3.54Å; I318-L351 HydrophobicContact CD1-CG 4.19Å; I318-L351 HydrophobicContact CG1-CD1 4.4Å; I318-L359 HydrophobicContact CD1-CD2 4.13Å; I318-I361 HydrophobicContact CD1-CD1 3.83Å; I318-I361 HydrophobicContact CD1-CG1 4.01Å; I318-I361 HydrophobicContact CG1-CD1 4.07Å; I318-I361 HydrophobicContact CG2-CD1 3.93Å; I318-L375 HydrophobicContact CG2-CD1 3.8Å; I318-W376 CarbonylContact C-O 3.41Å; I318-W376 WeakPolarHBondContact CA-O 3.12Å; I318-A377 HydrophobicContact CG1-CB 4.3Å
319T97.3Very high94.2Very high1 Ų139.3 Ų39.31%0.00622%0.218CC..EExtended strand (participates in β ladder)trans-115.1124.8176.6-57.10000110.1L346 K347 T348 L375 W376 Y384 Y386T319-L346 HydrophobicContact CG2-CD1 3.52Å; T319-L346 HydrophobicContact CG2-CG 4.31Å; T319-K347 WeakPolarHBondContact CA-O 3.41Å; T319-T348 WeakPolarHBondContact CG2-OG1 3.45Å; T319-T348 WeakPolarHBondContact OG1-CG2 3.42Å; T319-T348 PolarHBondContact OG1-OG1 3.1Å; T319-L375 WeakPolarHBondContact O-CA 3.25Å; T319-W376 PolarHBondContact N-O 2.5Å; T319-W376 PolarHBondContact O-N 2.86Å; T319-Y384 HydrophobicContact CG2-CE2 4.18Å; T319-Y384 WeakPolarHBondContact OG1-CE2 3.27Å; T319-Y386 HydrophobicContact CG2-CD2 3.98Å; T319-Y386 HydrophobicContact CG2-CE2 3.79Å
320L97.1Very high94.2Very high0 Ų039.3 Ų39.30%022%0.218CC..EExtended strand (participates in β ladder)trans-114.9134.1169.8-74104.7000110.1I318 L327 V329 W341 V343 L346 K347 V363 Y373 K374 L375I318-L320 HydrophobicContact CG2-CD1 3.73Å; L320-L327 HydrophobicContact CD2-CD1 4.42Å; L320-V329 HydrophobicContact CD1-CG1 3.99Å; L320-V329 HydrophobicContact CD1-CG2 4.1Å; L320-V329 HydrophobicContact CD2-CG1 4.46Å; L320-V329 HydrophobicContact CD2-CG2 3.7Å; L320-V329 HydrophobicContact CG-CG2 4.47Å; L320-W341 HydrophobicContact CD1-CZ2 4.21Å; L320-V343 HydrophobicContact CB-CG1 4.04Å; L320-V343 HydrophobicContact CB-CG2 4.23Å; L320-L346 WeakPolarHBondContact O-CA 3.45Å; L320-K347 PolarHBondContact N-O 3.15Å; L320-K347 PolarHBondContact O-N 3.36Å; L320-V363 HydrophobicContact CD2-CG1 4.27Å; L320-V363 HydrophobicContact CD2-CG2 3.84Å; L320-Y373 HydrophobicContact CD2-CD2 4.2Å; L320-Y373 HydrophobicContact CD2-CE2 4.48Å; L320-K374 WeakPolarHBondContact CA-O 3.32Å; L320-L375 HydrophobicContact CD1-CD1 4.03Å; L320-L375 HydrophobicContact CD2-CD1 4.26Å; L320-L375 HydrophobicContact CG-CD1 3.78Å
321Y95.5Very high94.3Very high8 Ų831.2 Ų31.23%0.03118%0.181CC..EExtended strand (participates in β ladder)trans-120.9101.3170.1-172.1-161000109.6C323 L346 Y373 K374 Y386 R443 L499 P500Y321-C323 PolarHBondContact O-N 3.4Å; Y321-L346 HydrophobicContact CD2-CB 4.05Å; Y321-L346 HydrophobicContact CD2-CD1 4.44Å; Y321-L346 HydrophobicContact CG-CB 4.46Å; Y321-L346 HydrophobicContact CG-CD1 4Å; Y321-Y373 VanDerWaalsContact O-CA 3.31Å; Y321-Y373 WeakPolarHBondContact O-CA 3.23Å; Y321-K374 HydrophobicContact CD1-CD 4.3Å; Y321-K374 PolarHBondContact N-O 3.45Å; Y321-K374 PolarHBondContact O-N 3.26Å; Y321-Y386 HydrophobicContact CD1-CE1 4.03Å; Y321-R443 HydrophobicContact CE2-CB 4.19Å; Y321-R443 PolarHBondContact OH-O 2.91Å; Y321-L499 HydrophobicContact CD1-CD2 4.26Å; Y321-L499 HydrophobicContact CE1-CD2 3.87Å; Y321-P500 VanDerWaalsContact OH-CD 3.26Å; Y321-P500 WeakPolarHBondContact OH-CD 3.29Å
322P94.4Very high94.2Very high1 Ų126.4 Ų26.41%0.00616%0.159CC..EExtended strand (participates in β ladder)trans-70.8122.1174.428.6-33.1000109.4G325 L327 V343 E345P322-G325 VanDerWaalsContact CB-O 3.29Å; P322-G325 WeakPolarHBondContact CB-O 3.18Å; P322-L327 HydrophobicContact CB-CD1 3.83Å; P322-L327 HydrophobicContact CB-CG 4.07Å; P322-V343 HydrophobicContact CG-CG1 3.91Å; P322-E345 WeakPolarHBondContact CD-O 3.29Å
323C92.1Very high94.2Very high3 Ų321.9 Ų21.92%0.0213%0.129CC..SBendtrans-79.9-36.6177.1-55.10000111.1Y321 T372 N442 R443 C444Y321-C323 PolarHBondContact O-N 3.4Å; C323-T372 WeakPolarHBondContact CA-O 3.45Å; C323-T372 HydrophobicContact CB-CG2 4.23Å; C323-T372 WeakPolarHBondContact CB-O 2.93Å; C323-T372 PolarHBondContact N-O 3.27Å; C323-N442 VanDerWaalsContact CB-OD1 3.31Å; C323-N442 WeakPolarHBondContact CB-OD1 3.48Å; C323-N442 CarbonylContact O-C 3.57Å; C323-N442 WeakPolarHBondContact O-CA 3.39Å; C323-R443 PolarHBondContact O-N 2.99Å; C323-C444 WeakPolarHBondContact CA-SG 3.34Å; C323-C444 HydrophobicContact CB-CB 3.63Å; C323-C444 WeakPolarHBondContact CB-SG 3.33Å; C323-C444 WeakPolarHBondContact SG-CB 3.44Å; C323-C444 CovalentContact SG-SG 2.03Å; C323-C444 PolarHBondContact SG-SG 2.85Å
324T88.3Confident94Very high33 Ų3324.8 Ų24.820%0.20214%0.142CC..SBendtrans-131.9118.6179.352.10000110.5E370 K371 T372 N442T324-E370 PolarHBondContact OG1-O 3.24Å; T324-K371 WeakPolarHBondContact O-CD 3.35Å; T324-K371 WeakPolarHBondContact OG1-CA 3.48Å; T324-T372 PolarHBondContact N-O 2.77Å; T324-T372 PolarHBondContact OG1-N 3.4Å; T324-N442 HydrophobicContact CG2-CB 4.07Å
325G87Confident93.4Very high30 Ų3022.9 Ų22.931%0.30914%0.138SC..SBendtrans59.3-160.4177.300000115.7P322P322-G325 VanDerWaalsContact CB-O 3.29Å; P322-G325 WeakPolarHBondContact CB-O 3.18Å
326S91.7Very high93Very high22 Ų2228.4 Ų28.415%0.15416%0.16CC..  trans-100.3154.1-173.762.90000113.3V343 N366S326-V343 WeakPolarHBondContact CA-O 3.29Å; S326-N366 WeakPolarHBondContact O-CB 3.02Å; S326-N366 PolarHBondContact OG-ND2 2.81Å
327L94.7Very high92.6Very high0 Ų033.7 Ų33.70%018%0.183CC..EExtended strand (participates in β ladder)trans-126.5152.1179.3-59.1171000111L295 L320 P322 V329 Q342 V343 V363 K371 Y373L295-L327 HydrophobicContact CD1-CD2 3.95Å; L320-L327 HydrophobicContact CD2-CD1 4.42Å; P322-L327 HydrophobicContact CB-CD1 3.83Å; P322-L327 HydrophobicContact CB-CG 4.07Å; L327-V329 HydrophobicContact CB-CG2 4.45Å; L327-Q342 WeakPolarHBondContact O-CA 2.92Å; L327-V343 HydrophobicContact CB-CB 4.39Å; L327-V343 PolarHBondContact N-O 3.06Å; L327-V343 PolarHBondContact O-N 3.22Å; L327-V363 HydrophobicContact CB-CG1 4.29Å; L327-V363 HydrophobicContact CD1-CG1 4.03Å; L327-V363 HydrophobicContact CD2-CG1 4.18Å; L327-V363 HydrophobicContact CG-CG1 4.41Å; L327-K371 HydrophobicContact CD2-CB 3.82Å; L327-K371 HydrophobicContact CD2-CD 4.39Å; L327-K371 HydrophobicContact CD2-CG 3.91Å; L327-Y373 HydrophobicContact CD1-CD1 4.15Å; L327-Y373 HydrophobicContact CD1-CD2 4.42Å; L327-Y373 HydrophobicContact CD1-CG 3.82Å
328R94Very high92.3Very high107 Ų10735.6 Ų35.640%0.40419%0.193SC..EExtended strand (participates in β ladder)trans-112.6130.1168.2-173-170.9-49.5139.49.8109.3F364 N366R328-F364 HydrophobicContact CB-CB 4.23Å; R328-F364 PolarHBondContact N-O 2.82Å; R328-F364 VanDerWaalsContact N-O 3.13Å; R328-F364 PolarHBondContact O-N 2.84Å; R328-N366 PolarHBondContact NH2-OD1 3.14Å
329V96.1Very high92Very high1 Ų141.7 Ų41.71%0.00622%0.216CC..EExtended strand (participates in β ladder)trans-127.5144.1-171.9-171.10000110L320 L327 H340 W341 V343 I361 R362 V363L320-V329 HydrophobicContact CD1-CG1 3.99Å; L320-V329 HydrophobicContact CD1-CG2 4.1Å; L320-V329 HydrophobicContact CD2-CG1 4.46Å; L320-V329 HydrophobicContact CD2-CG2 3.7Å; L320-V329 HydrophobicContact CG-CG2 4.47Å; L327-V329 HydrophobicContact CB-CG2 4.45Å; V329-H340 CarbonylContact O-C 3.58Å; V329-H340 WeakPolarHBondContact O-CA 3.03Å; V329-H340 WeakPolarHBondContact O-CB 3.31Å; V329-W341 HydrophobicContact CB-CD2 4.23Å; V329-W341 HydrophobicContact CB-CG 4.49Å; V329-W341 HydrophobicContact CB-CZ2 4.07Å; V329-W341 HydrophobicContact CG1-CH2 4.1Å; V329-W341 HydrophobicContact CG1-CZ2 3.5Å; V329-W341 VanDerWaalsContact CG1-CZ2 3.5Å; V329-W341 PolarHBondContact N-O 2.93Å; V329-W341 PolarHBondContact O-N 2.89Å; V329-V343 HydrophobicContact CG2-CG2 3.75Å; V329-I361 HydrophobicContact CG1-CG2 3.81Å; V329-R362 CarbonylContact C-O 3.5Å; V329-R362 WeakPolarHBondContact CA-O 3.07Å; V329-V363 HydrophobicContact CG1-CG2 4.35Å; V329-V363 HydrophobicContact CG2-CG1 4.31Å; V329-V363 HydrophobicContact CG2-CG2 4.46Å
330S95Very high91.9Very high8 Ų847.8 Ų47.86%0.05624%0.244CC..EExtended strand (participates in β ladder)trans-139.2144172.5490000110.2R339 I361 R362S330-R339 CarbonylContact C-O 3.56Å; S330-R339 WeakPolarHBondContact CA-O 3.42Å; S330-I361 CarbonylContact O-C 3.58Å; S330-R362 PolarHBondContact N-O 2.88Å; S330-R362 PolarHBondContact O-N 2.88Å
331A94.9Very high91.8Very high0 Ų048.4 Ų48.40%025%0.246CC..EExtended strand (participates in β ladder)trans-119.6139.4178.200000110.8I318 L338 R339 W341 L351 L359 R360I318-A331 HydrophobicContact CD1-CB 4.31Å; A331-L338 WeakPolarHBondContact O-CB 3.24Å; A331-L338 PolarHBondContact O-N 3.41Å; A331-R339 PolarHBondContact N-O 2.78Å; A331-R339 PolarHBondContact O-N 3.43Å; A331-W341 HydrophobicContact CB-CH2 3.73Å; A331-W341 HydrophobicContact CB-CZ3 3.91Å; A331-L351 HydrophobicContact CB-CD1 4.16Å; A331-L359 HydrophobicContact CB-CD1 4.24Å; A331-R360 WeakPolarHBondContact CA-O 3.04Å
332Y93.3Very high91.8Very high56 Ų5652.9 Ų52.922%0.2227%0.268CS..EExtended strand (participates in β ladder)trans-131.7132177.9-56.1-102.2000109.4Q336 F337 L359 R360 R362Y332-Q336 CarbonylContact C-O 3.54Å; Y332-Q336 WeakPolarHBondContact CA-O 3.37Å; Y332-Q336 WeakPolarHBondContact CB-O 3.18Å; Y332-F337 HydrophobicContact CD1-CB 3.93Å; Y332-F337 HydrophobicContact CD1-CD2 4.27Å; Y332-F337 HydrophobicContact CE1-CB 3.85Å; Y332-F337 AromaticContact CE1-CD2 3.75Å; Y332-F337 HydrophobicContact CE1-CD2 3.75Å; Y332-F337 HydrophobicContact CE1-CG 4.29Å; Y332-F337 AromaticContact CZ-CD2 3.95Å; Y332-L359 CarbonylContact O-C 3.58Å; Y332-L359 WeakPolarHBondContact O-CA 3.26Å; Y332-R360 PolarHBondContact N-O 2.81Å; Y332-R360 PolarHBondContact O-N 2.82Å; Y332-R362 HydrophobicContact CE2-CB 4.48Å
333S92.8Very high91.8Very high10 Ų1052.8 Ų52.87%0.0727%0.267CS..EExtended strand (participates in β ladder)trans-109.2125.5171.1176.20000109.2G335 Q336S333-G335 PolarHBondContact O-N 3.37Å; S333-Q336 PolarHBondContact N-O 3.49Å; S333-Q336 WeakPolarHBondContact O-CB 3.17Å; S333-Q336 PolarHBondContact O-N 3.41Å
334N88.7Confident91.7Very high83 Ų8359 Ų5944%0.44430%0.296SS..THydrogen-bonded Turntrans50.537.6178.7-62.1-38.2000113Q336 T355 A356 G357 E358N334-Q336 VanDerWaalsContact C-N 3.27Å; N334-Q336 PolarHBondContact O-N 3.05Å; N334-T355 PolarHBondContact ND2-OG1 3.36Å; N334-A356 PolarHBondContact ND2-O 3.43Å; N334-G357 WeakPolarHBondContact OD1-CA 3.34Å; N334-E358 PolarHBondContact N-O 3.05Å; N334-E358 PolarHBondContact OD1-N 2.97Å
335G81.4Confident91.8Very high57 Ų5763.3 Ų63.359%0.58831%0.314SS*.THydrogen-bonded Turntrans83.3-13.6-178.300000115.3S333S333-G335 PolarHBondContact O-N 3.37Å
336Q86.9Confident92.1Very high146 Ų14664 Ų6468%0.68231%0.31SS*.EExtended strand (participates in β ladder)trans-83.1133.3175.9-64-171.1-600111.2Y332 S333 N334 L338Y332-Q336 CarbonylContact C-O 3.54Å; Y332-Q336 WeakPolarHBondContact CA-O 3.37Å; Y332-Q336 WeakPolarHBondContact CB-O 3.18Å; S333-Q336 PolarHBondContact N-O 3.49Å; S333-Q336 WeakPolarHBondContact O-CB 3.17Å; S333-Q336 PolarHBondContact O-N 3.41Å; N334-Q336 VanDerWaalsContact C-N 3.27Å; N334-Q336 PolarHBondContact O-N 3.05Å; Q336-L338 PolarHBondContact O-N 2.68Å
337F88.8Confident92.2Very high111 Ų11167.1 Ų67.149%0.48732%0.321SS..EExtended strand (participates in β ladder)trans-65.9128.5174.1174-101.9000110.5Y332 R339 H340Y332-F337 HydrophobicContact CD1-CB 3.93Å; Y332-F337 HydrophobicContact CD1-CD2 4.27Å; Y332-F337 HydrophobicContact CE1-CB 3.85Å; Y332-F337 AromaticContact CE1-CD2 3.75Å; Y332-F337 HydrophobicContact CE1-CD2 3.75Å; Y332-F337 HydrophobicContact CE1-CG 4.29Å; Y332-F337 AromaticContact CZ-CD2 3.95Å; F337-R339 VanDerWaalsContact CE2-C 3.42Å; F337-R339 WeakPolarHBondContact CE2-O 3.32Å; F337-H340 HydrophobicContact CE2-CB 4.01Å; F337-H340 HydrophobicContact CZ-CB 3.96Å; F337-H340 AromaticContact CZ-CD2 3.78Å
338L91.5Very high92.3Very high70 Ų7069.8 Ų69.837%0.36634%0.338SS..EExtended strand (participates in β ladder)trans-99.7-57.3175.5-62.4-176.6000111.1A331 Q336 L351 M354 L359A331-L338 WeakPolarHBondContact O-CB 3.24Å; A331-L338 PolarHBondContact O-N 3.41Å; Q336-L338 PolarHBondContact O-N 2.68Å; L338-L351 HydrophobicContact CD1-CD1 3.8Å; L338-M354 HydrophobicContact CD1-CE 4.16Å; L338-M354 HydrophobicContact CD1-SD 4.21Å; L338-L359 HydrophobicContact CD1-CD1 4.21Å
339R91Very high92.4Very high129 Ų12965 Ų6549%0.48732%0.32SS..EExtended strand (participates in β ladder)trans-162.6154.1-171.6-165.1178.6-179.1174.72.5111.5S330 A331 F337 W341S330-R339 CarbonylContact C-O 3.56Å; S330-R339 WeakPolarHBondContact CA-O 3.42Å; A331-R339 PolarHBondContact N-O 2.78Å; A331-R339 PolarHBondContact O-N 3.43Å; F337-R339 VanDerWaalsContact CE2-C 3.42Å; F337-R339 WeakPolarHBondContact CE2-O 3.32Å; R339-W341 HydrophobicContact CB-CE3 4.09Å; R339-W341 HydrophobicContact CB-CZ3 3.9Å; R339-W341 HydrophobicContact CG-CE3 3.93Å; R339-W341 HydrophobicContact CG-CZ3 4.24Å; R339-W341 WeakPolarHBondContact O-CZ3 3.34Å
340H94.3Very high92.4Very high128 Ų12869.9 Ų69.959%0.59334%0.343SS*.EExtended strand (participates in β ladder)trans-126.5154.3166.477.679.7000110.6V329 F337V329-H340 CarbonylContact O-C 3.58Å; V329-H340 WeakPolarHBondContact O-CA 3.03Å; V329-H340 WeakPolarHBondContact O-CB 3.31Å; F337-H340 HydrophobicContact CE2-CB 4.01Å; F337-H340 HydrophobicContact CZ-CB 3.96Å; F337-H340 AromaticContact CZ-CD2 3.78Å
341W95.9Very high92.4Very high13 Ų1370.1 Ų70.15%0.04934%0.343CS..EExtended strand (participates in β ladder)trans-159.8161.6178.157.797.2000111.5I318 L320 V329 A331 R339 V349I318-W341 HydrophobicContact CD1-CH2 4.1Å; I318-W341 HydrophobicContact CD1-CZ2 4.49Å; I318-W341 HydrophobicContact CG2-CZ2 4.36Å; L320-W341 HydrophobicContact CD1-CZ2 4.21Å; V329-W341 HydrophobicContact CB-CD2 4.23Å; V329-W341 HydrophobicContact CB-CG 4.49Å; V329-W341 HydrophobicContact CB-CZ2 4.07Å; V329-W341 HydrophobicContact CG1-CH2 4.1Å; V329-W341 HydrophobicContact CG1-CZ2 3.5Å; V329-W341 VanDerWaalsContact CG1-CZ2 3.5Å; V329-W341 PolarHBondContact N-O 2.93Å; V329-W341 PolarHBondContact O-N 2.89Å; A331-W341 HydrophobicContact CB-CH2 3.73Å; A331-W341 HydrophobicContact CB-CZ3 3.91Å; R339-W341 HydrophobicContact CB-CE3 4.09Å; R339-W341 HydrophobicContact CB-CZ3 3.9Å; R339-W341 HydrophobicContact CG-CE3 3.93Å; R339-W341 HydrophobicContact CG-CZ3 4.24Å; R339-W341 WeakPolarHBondContact O-CZ3 3.34Å; W341-V349 HydrophobicContact CD2-CG2 4.03Å; W341-V349 HydrophobicContact CG-CG2 4.2Å; W341-V349 HydrophobicContact CZ2-CB 4.36Å; W341-V349 HydrophobicContact CZ2-CG2 4.29Å
342Q94.4Very high92.4Very high102 Ų10274.5 Ų74.548%0.47737%0.37SS..EExtended strand (participates in β ladder)trans-100148.6168.5-74.2176.3-34.800110.4L327 K347L327-Q342 WeakPolarHBondContact O-CA 2.92Å; Q342-K347 WeakPolarHBondContact O-CD 3.25Å; Q342-K347 PolarHBondContact O-NZ 2.88Å
343V94.7Very high92.3Very high0 Ų078.3 Ų78.30%040%0.395CS..EExtended strand (participates in β ladder)trans-132.4112.2-177.6-170.20000108.6L320 P322 S326 L327 V329 E345 K347L320-V343 HydrophobicContact CB-CG1 4.04Å; L320-V343 HydrophobicContact CB-CG2 4.23Å; P322-V343 HydrophobicContact CG-CG1 3.91Å; S326-V343 WeakPolarHBondContact CA-O 3.29Å; L327-V343 HydrophobicContact CB-CB 4.39Å; L327-V343 PolarHBondContact N-O 3.06Å; L327-V343 PolarHBondContact O-N 3.22Å; V329-V343 HydrophobicContact CG2-CG2 3.75Å; V343-E345 WeakPolarHBondContact CG1-O 3.34Å; V343-K347 HydrophobicContact CG1-CB 3.88Å; V343-K347 HydrophobicContact CG2-CB 4.49Å; V343-K347 HydrophobicContact CG2-CD 4.36Å
344E90.9Very high92.4Very high132 Ų13278.2 Ų78.262%0.61739%0.393SS*.SBendtrans-108.1-23176-59.9-177.7170.500111.8
345E89.6Confident92.6Very high125 Ų12578 Ų7858%0.58439%0.394SS*.SBendtrans-141.5-179.5178.162.2-175.8-174.700109.8P322 V343 K347P322-E345 WeakPolarHBondContact CD-O 3.29Å; V343-E345 WeakPolarHBondContact CG1-O 3.34Å; E345-K347 PolarHBondContact O-N 3.05Å
346L93.4Very high93.2Very high45 Ų4577.3 Ų77.324%0.23638%0.384CS..  trans-52.1117.2176.8-179.476.9000110T319 L320 Y321 Y386 L499T319-L346 HydrophobicContact CG2-CD1 3.52Å; T319-L346 HydrophobicContact CG2-CG 4.31Å; L320-L346 WeakPolarHBondContact O-CA 3.45Å; Y321-L346 HydrophobicContact CD2-CB 4.05Å; Y321-L346 HydrophobicContact CD2-CD1 4.44Å; Y321-L346 HydrophobicContact CG-CB 4.46Å; Y321-L346 HydrophobicContact CG-CD1 4Å; L346-Y386 HydrophobicContact CD1-CD1 4.42Å; L346-Y386 HydrophobicContact CD1-CD2 3.8Å; L346-Y386 HydrophobicContact CD1-CE1 4.27Å; L346-Y386 HydrophobicContact CD1-CE2 3.64Å; L346-Y386 HydrophobicContact CD1-CG 4.21Å; L346-Y386 HydrophobicContact CD2-CD2 4.47Å; L346-Y386 HydrophobicContact CD2-CG 4.27Å; L346-L499 HydrophobicContact CD2-CD1 3.49Å; L346-L499 VanDerWaalsContact CD2-CD1 3.49Å; L346-L499 HydrophobicContact CD2-CD2 3.89Å; L346-L499 HydrophobicContact CD2-CG 4.34Å
347K95.2Very high93.5Very high86 Ų8671.5 Ų71.537%0.37436%0.363SS..EExtended strand (participates in β ladder)trans-133.9126.6-177.5-170.5165.9-179.5168.40110.5T319 L320 Q342 V343 E345 V349T319-K347 WeakPolarHBondContact CA-O 3.41Å; L320-K347 PolarHBondContact N-O 3.15Å; L320-K347 PolarHBondContact O-N 3.36Å; Q342-K347 WeakPolarHBondContact O-CD 3.25Å; Q342-K347 PolarHBondContact O-NZ 2.88Å; V343-K347 HydrophobicContact CG1-CB 3.88Å; V343-K347 HydrophobicContact CG2-CB 4.49Å; V343-K347 HydrophobicContact CG2-CD 4.36Å; E345-K347 PolarHBondContact O-N 3.05Å; K347-V349 HydrophobicContact CG-CG2 4.39Å
348T96.1Very high93.8Very high57 Ų5769.8 Ų69.835%0.3536%0.356SS..EExtended strand (participates in β ladder)trans-107129.9172.7-58.80000109.2L317 I318 T319L317-T348 HydrophobicContact CB-CG2 4.22Å; L317-T348 HydrophobicContact CD2-CG2 4.3Å; I318-T348 CarbonylContact O-C 3.52Å; I318-T348 VanDerWaalsContact O-CA 3.3Å; I318-T348 WeakPolarHBondContact O-CA 3.36Å; T319-T348 WeakPolarHBondContact CG2-OG1 3.45Å; T319-T348 WeakPolarHBondContact OG1-CG2 3.42Å; T319-T348 PolarHBondContact OG1-OG1 3.1Å
349V96.4Very high94Very high6 Ų666.5 Ų66.54%0.03634%0.339CS..EExtended strand (participates in β ladder)trans-119.2129.6176175.90000108I318 W341 K347 L351I318-V349 PolarHBondContact N-O 2.97Å; I318-V349 PolarHBondContact O-N 3.14Å; W341-V349 HydrophobicContact CD2-CG2 4.03Å; W341-V349 HydrophobicContact CG-CG2 4.2Å; W341-V349 HydrophobicContact CZ2-CB 4.36Å; W341-V349 HydrophobicContact CZ2-CG2 4.29Å; K347-V349 HydrophobicContact CG-CG2 4.39Å; V349-L351 HydrophobicContact CG1-CD2 4.3Å
350E95.9Very high94.2Very high104 Ų10464.7 Ų64.749%0.48633%0.332SS..EExtended strand (participates in β ladder)trans-91.9129.9171.1-173.8170.3-160.900110S315 L317 T352S315-E350 WeakPolarHBondContact CB-OE1 3.43Å; S315-E350 PolarHBondContact OG-OE1 3.02Å; L317-E350 HydrophobicContact CD2-CB 3.64Å; L317-E350 HydrophobicContact CD2-CG 3.77Å; E350-T352 HydrophobicContact CG-CG2 4.29Å
351L95.1Very high94.3Very high12 Ų1258.6 Ų58.66%0.06330%0.304CS..EExtended strand (participates in β ladder)trans-105.6127.5167.1-57.7-179.7000107.6S315 L316 I318 A331 L338 V349 M354 L359S315-L351 CarbonylContact C-O 3.56Å; S315-L351 VanDerWaalsContact CA-O 3.22Å; S315-L351 WeakPolarHBondContact CA-O 3.09Å; L316-L351 PolarHBondContact N-O 2.81Å; L316-L351 PolarHBondContact O-N 3.13Å; I318-L351 HydrophobicContact CD1-CD1 3.54Å; I318-L351 HydrophobicContact CD1-CG 4.19Å; I318-L351 HydrophobicContact CG1-CD1 4.4Å; A331-L351 HydrophobicContact CB-CD1 4.16Å; L338-L351 HydrophobicContact CD1-CD1 3.8Å; V349-L351 HydrophobicContact CG1-CD2 4.3Å; L351-M354 HydrophobicContact CB-CG 4.42Å; L351-M354 HydrophobicContact CB-SD 3.6Å; L351-M354 HydrophobicContact CD1-SD 4.23Å; L351-L359 HydrophobicContact CD1-CD1 4.03Å; L351-L359 HydrophobicContact CD1-CD2 4.46Å
352T94.4Very high94.2Very high92 Ų9261.3 Ų61.356%0.56431%0.314SS*.EExtended strand (participates in β ladder)trans-101.8158.4-177.855.70000111.3S314 E350 M354S314-T352 CarbonylContact O-C 3.49Å; S314-T352 WeakPolarHBondContact O-CA 3.22Å; E350-T352 HydrophobicContact CG-CG2 4.29Å; T352-M354 PolarHBondContact O-N 3.13Å
353N92.3Very high94.3Very high137 Ų13756.5 Ų56.573%0.73329%0.291SS*.EExtended strand (participates in β ladder)trans53.652.7176.5-60.3-34000113.3S314 T355S314-N353 PolarHBondContact O-N 3.25Å; N353-T355 PolarHBondContact O-N 3.36Å
354M93Very high94.1Very high8 Ų858 Ų584%0.03930%0.298CS..EExtended strand (participates in β ladder)trans-73.8125.9-179.9-65.8-55.4-62.600110.8P312 A313 L316 L338 L351 T352 L359P312-M354 CarbonylContact C-O 3.54Å; P312-M354 WeakPolarHBondContact CA-O 3.09Å; A313-M354 HydrophobicContact CB-CB 4.45Å; A313-M354 PolarHBondContact N-O 3.36Å; A313-M354 PolarHBondContact O-N 2.94Å; L316-M354 HydrophobicContact CB-CG 3.66Å; L316-M354 HydrophobicContact CD1-CE 4.49Å; L338-M354 HydrophobicContact CD1-CE 4.16Å; L338-M354 HydrophobicContact CD1-SD 4.21Å; L351-M354 HydrophobicContact CB-CG 4.42Å; L351-M354 HydrophobicContact CB-SD 3.6Å; L351-M354 HydrophobicContact CD1-SD 4.23Å; T352-M354 PolarHBondContact O-N 3.13Å; M354-L359 HydrophobicContact CE-CD1 4.13Å
355T93Very high94.1Very high77 Ų7751.8 Ų51.847%0.47227%0.269SS..PPolyproline II helixtrans-80.3154.7168.950.10000110.6N334 N353N334-T355 PolarHBondContact ND2-OG1 3.36Å; N353-T355 PolarHBondContact O-N 3.36Å
356A94.4Very high93.9Very high44 Ų4447.8 Ų47.836%0.36425%0.252SS..SBendtrans-63.2146.5169.700000110.4V309 P312 N334V309-A356 CarbonylContact O-C 3.55Å; V309-A356 VanDerWaalsContact O-CA 3.29Å; V309-A356 WeakPolarHBondContact O-CA 3.44Å; P312-A356 HydrophobicContact CG-CB 4.43Å; N334-A356 PolarHBondContact ND2-O 3.43Å
357G94.6Very high93.4Very high23 Ų2348 Ų4824%0.23725%0.253CS..EExtended strand (participates in β ladder)trans131.8-152.2-178.900000113.2V309 N334V309-G357 PolarHBondContact N-O 3.23Å; V309-G357 PolarHBondContact O-N 2.81Å; N334-G357 WeakPolarHBondContact OD1-CA 3.34Å
358E94.4Very high92.6Very high76 Ų7647.5 Ų47.536%0.35525%0.254SS..EExtended strand (participates in β ladder)trans-99.1122.8-172.7-66.7-174.1150.900112.2V306 N334 R360V306-E358 HydrophobicContact CG1-CB 4.45Å; V306-E358 HydrophobicContact CG1-CG 4.43Å; N334-E358 PolarHBondContact N-O 3.05Å; N334-E358 PolarHBondContact OD1-N 2.97Å; E358-R360 IonicContact OE2-CZ 2.89Å; E358-R360 IonicContact OE2-NH1 2.76Å; E358-R360 PolarHBondContact OE2-NH1 2.83Å; E358-R360 IonicContact OE2-NH2 2.72Å; E358-R360 PolarHBondContact OE2-NH2 2.79Å
359L95.9Very high91.9Very high0 Ų048.1 Ų48.10%026%0.259CS..EExtended strand (participates in β ladder)trans-96119165.8175.966.9000109.5V306 L307 V309 L316 I318 A331 Y332 L338 L351 M354 I361V306-L359 WeakPolarHBondContact CA-O 3.25Å; L307-L359 HydrophobicContact CB-CB 4.36Å; L307-L359 HydrophobicContact CD2-CD2 4.32Å; L307-L359 PolarHBondContact N-O 2.99Å; L307-L359 PolarHBondContact O-N 3.14Å; V309-L359 HydrophobicContact CG2-CB 4.38Å; L316-L359 HydrophobicContact CD1-CD2 3.81Å; L316-L359 HydrophobicContact CD2-CD2 3.59Å; L316-L359 HydrophobicContact CG-CD2 4.4Å; I318-L359 HydrophobicContact CD1-CD2 4.13Å; A331-L359 HydrophobicContact CB-CD1 4.24Å; Y332-L359 CarbonylContact O-C 3.58Å; Y332-L359 WeakPolarHBondContact O-CA 3.26Å; L338-L359 HydrophobicContact CD1-CD1 4.21Å; L351-L359 HydrophobicContact CD1-CD1 4.03Å; L351-L359 HydrophobicContact CD1-CD2 4.46Å; M354-L359 HydrophobicContact CE-CD1 4.13Å; L359-I361 HydrophobicContact CD2-CD1 4.24Å; L359-I361 HydrophobicContact CD2-CG1 4.25Å; L359-I361 HydrophobicContact CG-CG1 4.1Å
360R95Very high91.4Very high92 Ų9251 Ų5135%0.34727%0.271SS..EExtended strand (participates in β ladder)trans-103.1115174.2-68.2-178.8167.677.55.8110I304 H305 V306 A331 Y332 E358I304-R360 HydrophobicContact CG2-CB 4.04Å; I304-R360 HydrophobicContact CG2-CG 4.23Å; H305-R360 CarbonylContact O-C 3.57Å; H305-R360 WeakPolarHBondContact O-CA 3.33Å; V306-R360 HydrophobicContact CG2-CG 4.34Å; A331-R360 WeakPolarHBondContact CA-O 3.04Å; Y332-R360 PolarHBondContact N-O 2.81Å; Y332-R360 PolarHBondContact O-N 2.82Å; E358-R360 IonicContact OE2-CZ 2.89Å; E358-R360 IonicContact OE2-NH1 2.76Å; E358-R360 PolarHBondContact OE2-NH1 2.83Å; E358-R360 IonicContact OE2-NH2 2.72Å; E358-R360 PolarHBondContact OE2-NH2 2.79Å
361I96.4Very high91.1Very high0 Ų046.1 Ų46.10%025%0.249CC..EExtended strand (participates in β ladder)trans-103.1106.2176.2-52.6169.8000108I285 I304 H305 I318 V329 S330 L359 V363 L375 A377I285-I361 HydrophobicContact CD1-CD1 4.22Å; I304-I361 WeakPolarHBondContact CA-O 3.29Å; H305-I361 HydrophobicContact CB-CB 4.32Å; H305-I361 PolarHBondContact N-O 3.4Å; H305-I361 PolarHBondContact O-N 3.3Å; I318-I361 HydrophobicContact CD1-CD1 3.83Å; I318-I361 HydrophobicContact CD1-CG1 4.01Å; I318-I361 HydrophobicContact CG1-CD1 4.07Å; I318-I361 HydrophobicContact CG2-CD1 3.93Å; V329-I361 HydrophobicContact CG1-CG2 3.81Å; S330-I361 CarbonylContact O-C 3.58Å; L359-I361 HydrophobicContact CD2-CD1 4.24Å; L359-I361 HydrophobicContact CD2-CG1 4.25Å; L359-I361 HydrophobicContact CG-CG1 4.1Å; I361-V363 HydrophobicContact CG2-CG2 4.31Å; I361-L375 HydrophobicContact CD1-CD1 4.25Å; I361-L375 HydrophobicContact CD1-CD2 4.41Å; I361-L375 HydrophobicContact CG2-CD1 4.42Å; I361-A377 HydrophobicContact CD1-CB 4.06Å
362R93.8Very high91Very high70 Ų7046.9 Ų46.926%0.26425%0.254SS..EExtended strand (participates in β ladder)trans-96.8120.4179.9-173.4-173.5-66.6-177.2-6110R303 I304 V329 S330 Y332 F364R303-R362 WeakPolarHBondContact O-CA 3.33Å; I304-R362 HydrophobicContact CG1-CB 4.1Å; I304-R362 HydrophobicContact CG1-CG 3.88Å; V329-R362 CarbonylContact C-O 3.5Å; V329-R362 WeakPolarHBondContact CA-O 3.07Å; S330-R362 PolarHBondContact N-O 2.88Å; S330-R362 PolarHBondContact O-N 2.88Å; Y332-R362 HydrophobicContact CE2-CB 4.48Å; R362-F364 HydrophobicContact CB-CE2 4.32Å; R362-F364 HydrophobicContact CG-CD2 4.11Å; R362-F364 HydrophobicContact CG-CE2 3.53Å; R362-F364 HydrophobicContact CG-CZ 3.8Å
363V95.4Very high91.1Very high0 Ų042.5 Ų42.50%023%0.227CC..EExtended strand (participates in β ladder)trans-112.5122.2-179.5-172.30000109L295 A302 R303 L320 L327 V329 I361 Y373L295-V363 HydrophobicContact CD1-CG1 4.18Å; A302-V363 CarbonylContact C-O 3.54Å; A302-V363 WeakPolarHBondContact CA-O 3.21Å; A302-V363 WeakPolarHBondContact CB-O 3.49Å; R303-V363 PolarHBondContact N-O 3.03Å; R303-V363 PolarHBondContact O-N 3.35Å; L320-V363 HydrophobicContact CD2-CG1 4.27Å; L320-V363 HydrophobicContact CD2-CG2 3.84Å; L327-V363 HydrophobicContact CB-CG1 4.29Å; L327-V363 HydrophobicContact CD1-CG1 4.03Å; L327-V363 HydrophobicContact CD2-CG1 4.18Å; L327-V363 HydrophobicContact CG-CG1 4.41Å; V329-V363 HydrophobicContact CG1-CG2 4.35Å; V329-V363 HydrophobicContact CG2-CG1 4.31Å; V329-V363 HydrophobicContact CG2-CG2 4.46Å; I361-V363 HydrophobicContact CG2-CG2 4.31Å; V363-Y373 HydrophobicContact CB-CE2 4.25Å; V363-Y373 HydrophobicContact CG1-CD1 4.46Å; V363-Y373 HydrophobicContact CG1-CE1 4.04Å; V363-Y373 HydrophobicContact CG1-CE2 4.06Å; V363-Y373 HydrophobicContact CG2-CE2 3.93Å
364F91.5Very high91.3Very high33 Ų3337.2 Ų37.215%0.14520%0.197CC..EExtended strand (participates in β ladder)trans-108.8147.5179.1-62.8-97.6000111.2Y280 A302 R328 R362Y280-F364 HydrophobicContact CE1-CE1 4.37Å; Y280-F364 HydrophobicContact CE2-CE1 4.26Å; Y280-F364 AromaticContact CZ-CE1 3.83Å; A302-F364 HydrophobicContact CB-CB 4.24Å; A302-F364 HydrophobicContact CB-CD1 3.37Å; A302-F364 HydrophobicContact CB-CE1 3.85Å; A302-F364 HydrophobicContact CB-CG 3.8Å; R328-F364 HydrophobicContact CB-CB 4.23Å; R328-F364 PolarHBondContact N-O 2.82Å; R328-F364 VanDerWaalsContact N-O 3.13Å; R328-F364 PolarHBondContact O-N 2.84Å; R362-F364 HydrophobicContact CB-CE2 4.32Å; R362-F364 HydrophobicContact CG-CD2 4.11Å; R362-F364 HydrophobicContact CG-CE2 3.53Å; R362-F364 HydrophobicContact CG-CZ 3.8Å
365N90Very high91.5Very high0 Ų036.8 Ų36.80%020%0.195CC..EExtended strand (participates in β ladder)trans-70135.3164.9-165.2-11.2000109L295 G296 S298 S301 D367 T369 K371L295-N365 HydrophobicContact CB-CB 4.34Å; L295-N365 HydrophobicContact CD1-CB 4.03Å; L295-N365 VanDerWaalsContact CD1-N 3.33Å; G296-N365 PolarHBondContact O-ND2 3.38Å; S298-N365 VanDerWaalsContact O-CB 3.23Å; S298-N365 WeakPolarHBondContact O-CB 3.39Å; S298-N365 PolarHBondContact O-ND2 3.43Å; S301-N365 WeakPolarHBondContact O-CB 2.99Å; S301-N365 PolarHBondContact O-N 3.09Å; N365-D367 PolarHBondContact ND2-O 3.48Å; N365-D367 VanDerWaalsContact ND2-O 3.14Å; N365-D367 PolarHBondContact OD1-N 2.86Å; N365-D367 VanDerWaalsContact OD1-N 3.15Å; N365-D367 PolarHBondContact OD1-O 3.31Å; N365-T369 PolarHBondContact ND2-O 3.03Å; N365-K371 HydrophobicContact CB-CG 4.32Å; N365-K371 WeakPolarHBondContact OD1-CE 3.08Å; N365-K371 VanDerWaalsContact OD1-CG 3.22Å; N365-K371 WeakPolarHBondContact OD1-CG 3.32Å
366N86.1Confident91.7Very high41 Ų4133.1 Ų33.122%0.21917%0.173CC..SBendtrans-95.8-8.5-178.2-160.146.1000112.8S326 R328S326-N366 WeakPolarHBondContact O-CB 3.02Å; S326-N366 PolarHBondContact OG-ND2 2.81Å; R328-N366 PolarHBondContact NH2-OD1 3.14Å
367D83Confident91.9Very high51 Ų5131.1 Ų31.127%0.27316%0.156SC..SBendtrans-150.8-173.3-179.460.248.3000111.5S298 Q299 N365 T369 K371S298-D367 CarbonylContact C-O 3.57Å; Q299-D367 WeakPolarHBondContact CA-O 3.24Å; Q299-D367 PolarHBondContact N-O 3.45Å; N365-D367 PolarHBondContact ND2-O 3.48Å; N365-D367 VanDerWaalsContact ND2-O 3.14Å; N365-D367 PolarHBondContact OD1-N 2.86Å; N365-D367 VanDerWaalsContact OD1-N 3.15Å; N365-D367 PolarHBondContact OD1-O 3.31Å; D367-T369 VanDerWaalsContact C-N 3.32Å; D367-T369 PolarHBondContact O-N 3.2Å; D367-T369 WeakPolarHBondContact OD1-CB 3.36Å; D367-T369 PolarHBondContact OD1-N 3.03Å; D367-T369 PolarHBondContact OD1-OG1 3.05Å; D367-K371 VanDerWaalsContact CG-CE 3.49Å; D367-K371 WeakPolarHBondContact OD1-CE 3.36Å; D367-K371 IonicContact OD1-NZ 3.78Å; D367-K371 PolarHBondContact OD1-NZ 3.16Å; D367-K371 WeakPolarHBondContact OD2-CE 3.5Å; D367-K371 IonicContact OD2-NZ 2.65Å; D367-K371 PolarHBondContact OD2-NZ 2.79Å
368D77.8Confident92Very high74 Ų7430 Ų3040%0.39615%0.145SC..SBendtrans-93.631.9-178.7-64.1-45.7000113.6L297 Q299L297-D368 CarbonylContact O-C 3.52Å; L297-D368 WeakPolarHBondContact O-CA 3.35Å; L297-D368 VanDerWaalsContact O-O 3.05Å; Q299-D368 PolarHBondContact N-OD1 3.06Å
369T81.8Confident92.1Very high71 Ų7129.3 Ų29.344%0.43615%0.145SC..SBendtrans-119.5153.2175.868.80000111.9N365 D367 K371N365-T369 PolarHBondContact ND2-O 3.03Å; D367-T369 VanDerWaalsContact C-N 3.32Å; D367-T369 PolarHBondContact O-N 3.2Å; D367-T369 WeakPolarHBondContact OD1-CB 3.36Å; D367-T369 PolarHBondContact OD1-N 3.03Å; D367-T369 PolarHBondContact OD1-OG1 3.05Å; T369-K371 PolarHBondContact O-N 3.27Å; T369-K371 WeakPolarHBondContact OG1-CE 3.48Å; T369-K371 PolarHBondContact OG1-NZ 3.38Å
370E85.3Confident92Very high65 Ų6532.9 Ų32.930%0.30417%0.165SC..  trans-65.1135.3179.8-95.7170.6-149.900112.1R236 L297 T324R236-E370 IonicContact CZ-OE1 2.83Å; R236-E370 IonicContact CZ-OE2 3.94Å; R236-E370 VanDerWaalsContact CZ-OE2 3.25Å; R236-E370 IonicContact NH1-OE1 2.79Å; R236-E370 PolarHBondContact NH1-OE1 2.76Å; R236-E370 IonicContact NH1-OE2 3.65Å; R236-E370 PolarHBondContact NH1-OE2 3.5Å; R236-E370 IonicContact NH2-OE1 3.25Å; R236-E370 IonicContact NH2-OE2 2.73Å; R236-E370 PolarHBondContact NH2-OE2 3.47Å; L297-E370 HydrophobicContact CD2-CB 4.1Å; L297-E370 HydrophobicContact CD2-CG 3.63Å; L297-E370 HydrophobicContact CG-CG 3.78Å; T324-E370 PolarHBondContact OG1-O 3.24Å
371K90.3Very high91.9Very high3 Ų331.4 Ų31.41%0.01317%0.172CC..EExtended strand (participates in β ladder)trans-113.3129-180-51-64.2176.4-1620110.5H294 L295 T324 L327 N365 D367 T369H294-K371 CarbonylContact C-O 3.54Å; H294-K371 VanDerWaalsContact CA-O 3.26Å; H294-K371 WeakPolarHBondContact CA-O 3.4Å; L295-K371 HydrophobicContact CB-CB 4.03Å; L295-K371 HydrophobicContact CB-CG 4.5Å; L295-K371 HydrophobicContact CD1-CB 4.24Å; L295-K371 HydrophobicContact CG-CB 4.3Å; L295-K371 PolarHBondContact N-O 2.01Å; L295-K371 PolarHBondContact O-N 2.04Å; L295-K371 VanDerWaalsContact O-N 3.1Å; T324-K371 WeakPolarHBondContact O-CD 3.35Å; T324-K371 WeakPolarHBondContact OG1-CA 3.48Å; L327-K371 HydrophobicContact CD2-CB 3.82Å; L327-K371 HydrophobicContact CD2-CD 4.39Å; L327-K371 HydrophobicContact CD2-CG 3.91Å; N365-K371 HydrophobicContact CB-CG 4.32Å; N365-K371 WeakPolarHBondContact OD1-CE 3.08Å; N365-K371 VanDerWaalsContact OD1-CG 3.22Å; N365-K371 WeakPolarHBondContact OD1-CG 3.32Å; D367-K371 VanDerWaalsContact CG-CE 3.49Å; D367-K371 WeakPolarHBondContact OD1-CE 3.36Å; D367-K371 IonicContact OD1-NZ 3.78Å; D367-K371 PolarHBondContact OD1-NZ 3.16Å; D367-K371 WeakPolarHBondContact OD2-CE 3.5Å; D367-K371 IonicContact OD2-NZ 2.65Å; D367-K371 PolarHBondContact OD2-NZ 2.79Å; T369-K371 PolarHBondContact O-N 3.27Å; T369-K371 WeakPolarHBondContact OG1-CE 3.48Å; T369-K371 PolarHBondContact OG1-NZ 3.38Å
372T93.1Very high91.7Very high28 Ų2835.7 Ų35.717%0.17220%0.202CC..EExtended strand (participates in β ladder)trans-111.5141.7162.6-54.10000108.1I292 H294 C323 T324I292-T372 HydrophobicContact CG2-CG2 4.22Å; H294-T372 PolarHBondContact CD2-OG1 2.9Å; H294-T372 VanDerWaalsContact CD2-OG1 3.28Å; C323-T372 WeakPolarHBondContact CA-O 3.45Å; C323-T372 HydrophobicContact CB-CG2 4.23Å; C323-T372 WeakPolarHBondContact CB-O 2.93Å; C323-T372 PolarHBondContact N-O 3.27Å; T324-T372 PolarHBondContact N-O 2.77Å; T324-T372 PolarHBondContact OG1-N 3.4Å
373Y95.7Very high91.6Very high0 Ų034.9 Ų34.90%021%0.205CC..EExtended strand (participates in β ladder)trans-151.9156.9177.863.8-82.8000112A293 L295 H305 L320 Y321 L327 V363 L375A293-Y373 HydrophobicContact CB-CD1 4.47Å; A293-Y373 HydrophobicContact CB-CD2 4.46Å; A293-Y373 HydrophobicContact CB-CE1 3.78Å; A293-Y373 HydrophobicContact CB-CE2 3.79Å; A293-Y373 VanDerWaalsContact CB-CZ 3.43Å; A293-Y373 WeakPolarHBondContact CB-OH 3.06Å; A293-Y373 PolarHBondContact N-O 2.79Å; A293-Y373 WeakPolarHBondContact O-CD1 2.9Å; A293-Y373 PolarHBondContact O-N 3.02Å; L295-Y373 HydrophobicContact CD1-CE1 4.18Å; L295-Y373 HydrophobicContact CD2-CE1 4.01Å; L295-Y373 HydrophobicContact CG-CD1 4.44Å; L295-Y373 HydrophobicContact CG-CE1 3.76Å; H305-Y373 AromaticContact NE2-CE2 3.67Å; H305-Y373 AromaticContact NE2-CZ 3.62Å; H305-Y373 PolarHBondContact NE2-OH 2.78Å; L320-Y373 HydrophobicContact CD2-CD2 4.2Å; L320-Y373 HydrophobicContact CD2-CE2 4.48Å; Y321-Y373 VanDerWaalsContact O-CA 3.31Å; Y321-Y373 WeakPolarHBondContact O-CA 3.23Å; L327-Y373 HydrophobicContact CD1-CD1 4.15Å; L327-Y373 HydrophobicContact CD1-CD2 4.42Å; L327-Y373 HydrophobicContact CD1-CG 3.82Å; V363-Y373 HydrophobicContact CB-CE2 4.25Å; V363-Y373 HydrophobicContact CG1-CD1 4.46Å; V363-Y373 HydrophobicContact CG1-CE1 4.04Å; V363-Y373 HydrophobicContact CG1-CE2 4.06Å; V363-Y373 HydrophobicContact CG2-CE2 3.93Å; Y373-L375 HydrophobicContact CD2-CB 4.36Å; Y373-L375 HydrophobicContact CE2-CB 4.27Å
374K96.7Very high91.6Very high25 Ų2537.1 Ų37.111%0.10921%0.214CC..EExtended strand (participates in β ladder)trans-105.6135.4170.6-56.8176.3166.6-179.10108.7L290 T291 I292 L320 Y321 E497L290-K374 HydrophobicContact CD1-CB 3.97Å; L290-K374 HydrophobicContact CD2-CD 4.18Å; L290-K374 HydrophobicContact CG-CB 4.35Å; T291-K374 CarbonylContact O-C 3.55Å; T291-K374 WeakPolarHBondContact O-CA 3.49Å; I292-K374 HydrophobicContact CG1-CG 4.3Å; L320-K374 WeakPolarHBondContact CA-O 3.32Å; Y321-K374 HydrophobicContact CD1-CD 4.3Å; Y321-K374 PolarHBondContact N-O 3.45Å; Y321-K374 PolarHBondContact O-N 3.26Å; K374-E497 IonicContact NZ-OE2 3.56Å; K374-E497 PolarHBondContact NZ-OE2 3.39Å
375L97.6Very high91.7Very high0 Ų036.3 Ų36.30%021%0.212CC..EExtended strand (participates in β ladder)trans-124.6130.9177.8172.166.6000108.7I285 T291 H305 I318 T319 L320 I361 Y373I285-L375 HydrophobicContact CD1-CD2 4.01Å; I285-L375 HydrophobicContact CD1-CG 4.46Å; T291-L375 PolarHBondContact N-O 3.28Å; T291-L375 PolarHBondContact O-N 2.95Å; H305-L375 HydrophobicContact CB-CD2 3.56Å; H305-L375 WeakPolarHBondContact CD2-CD2 3.42Å; I318-L375 HydrophobicContact CG2-CD1 3.8Å; T319-L375 WeakPolarHBondContact O-CA 3.25Å; L320-L375 HydrophobicContact CD1-CD1 4.03Å; L320-L375 HydrophobicContact CD2-CD1 4.26Å; L320-L375 HydrophobicContact CG-CD1 3.78Å; I361-L375 HydrophobicContact CD1-CD1 4.25Å; I361-L375 HydrophobicContact CD1-CD2 4.41Å; I361-L375 HydrophobicContact CG2-CD1 4.42Å; Y373-L375 HydrophobicContact CD2-CB 4.36Å; Y373-L375 HydrophobicContact CE2-CB 4.27Å
376W97.6Very high91.9Very high0 Ų036.4 Ų36.40%021%0.212CC..EExtended strand (participates in β ladder)trans-130.2140.7169.2171.191.7000108.4G288 L290 L317 I318 T319 T383 Y384 P385G288-W376 VanDerWaalsContact C-NE1 3.34Å; G288-W376 VanDerWaalsContact O-CD1 3.31Å; G288-W376 PolarHBondContact O-NE1 2.81Å; L290-W376 HydrophobicContact CD1-CB 3.79Å; L317-W376 HydrophobicContact CB-CH2 3.92Å; L317-W376 HydrophobicContact CB-CZ3 3.52Å; L317-W376 HydrophobicContact CD1-CH2 4.27Å; L317-W376 HydrophobicContact CD1-CZ3 4.39Å; I318-W376 CarbonylContact C-O 3.41Å; I318-W376 WeakPolarHBondContact CA-O 3.12Å; T319-W376 PolarHBondContact N-O 2.5Å; T319-W376 PolarHBondContact O-N 2.86Å; W376-T383 WeakPolarHBondContact CZ2-OG1 2.85Å; W376-Y384 HydrophobicContact CE3-CD2 4.15Å; W376-Y384 HydrophobicContact CH2-CD2 4Å; W376-Y384 AromaticContact CZ3-CD2 3.74Å; W376-Y384 HydrophobicContact CZ3-CD2 3.74Å; W376-Y384 HydrophobicContact CZ3-CE2 4.44Å; W376-P385 HydrophobicContact CB-CG 4.06Å; W376-P385 HydrophobicContact CD2-CG 4.28Å; W376-P385 HydrophobicContact CG-CG 3.8Å
377A97.6Very high92.2Very high1 Ų134.7 Ų34.71%0.00820%0.203CC..EExtended strand (participates in β ladder)trans-143.2134.9172.500000109.6I285 G288 L307 L316 L317 I318 I361I285-A377 HydrophobicContact CD1-CB 4.09Å; G288-A377 PolarHBondContact N-O 2.79Å; L307-A377 HydrophobicContact CD2-CB 3.86Å; L316-A377 HydrophobicContact CD2-CB 4.47Å; L317-A377 CarbonylContact O-C 3.47Å; L317-A377 WeakPolarHBondContact O-CA 3.48Å; I318-A377 HydrophobicContact CG1-CB 4.3Å; I361-A377 HydrophobicContact CD1-CB 4.06Å
378S97.3Very high92.5Very high0 Ų034.6 Ų34.60%020%0.204CC..EExtended strand (participates in β ladder)trans-155.9148.9175-170.40000113.3D287 L317 N380 T383D287-S378 WeakPolarHBondContact OD1-CA 3.12Å; D287-S378 PolarHBondContact OD1-OG 2.85Å; D287-S378 PolarHBondContact OD2-OG 3.21Å; L317-S378 PolarHBondContact N-O 2.78Å; L317-S378 PolarHBondContact O-N 2.84Å; S378-N380 VanDerWaalsContact C-N 3.28Å; S378-N380 PolarHBondContact OG-N 3.46Å; S378-N380 PolarHBondContact OG-O 2.89Å; S378-T383 PolarHBondContact OG-OG1 2.9Å
379V96Very high93.1Very high61 Ų6133.3 Ų33.337%0.3720%0.197SC..SBendtrans-76.4-17.1163.3-62.80000112.7D287 V309 A313 L316D287-V379 PolarHBondContact OD1-N 2.6Å; D287-V379 VanDerWaalsContact OD1-N 3.14Å; V309-V379 HydrophobicContact CG1-CG1 4.4Å; A313-V379 HydrophobicContact CB-CB 4.07Å; A313-V379 HydrophobicContact CB-CG1 3.71Å; L316-V379 HydrophobicContact CB-CG1 4.26Å; L316-V379 HydrophobicContact CD1-CG1 3.86Å; L316-V379 HydrophobicContact CG-CG1 4.23Å
380N94.6Very high93.4Very high76 Ų7630.3 Ų30.341%0.40618%0.178SC..  trans-105.899.4178.9-177.16.6000111.7S378 S382 T383S378-N380 VanDerWaalsContact C-N 3.28Å; S378-N380 PolarHBondContact OG-N 3.46Å; S378-N380 PolarHBondContact OG-O 2.89Å; N380-S382 PolarHBondContact ND2-OG 2.81Å; N380-S382 PolarHBondContact O-N 2.79Å; N380-S382 VanDerWaalsContact O-N 3.08Å; N380-S382 WeakPolarHBondContact OD1-CB 3.5Å; N380-S382 PolarHBondContact OD1-N 2.51Å; N380-S382 PolarHBondContact OD1-OG 2.95Å; N380-T383 HydrophobicContact CB-CG2 4.3Å; N380-T383 PolarHBondContact O-N 3.43Å; N380-T383 VanDerWaalsContact O-N 3.1Å; N380-T383 PolarHBondContact O-OG1 3.08Å
381A92.8Very high93.6Very high61 Ų6135.2 Ų35.250%0.50420%0.199SC..G310 helixtrans-58.5-22.1178.400000114.3L317 T383 Y384L317-A381 HydrophobicContact CD1-CB 3.81Å; A381-T383 PolarHBondContact O-N 2.6Å; A381-Y384 VanDerWaalsContact O-CB 3.3Å; A381-Y384 WeakPolarHBondContact O-CB 3.38Å; A381-Y384 PolarHBondContact O-N 2.91Å; A381-Y384 VanDerWaalsContact O-N 3.17Å
382S91.3Very high93.6Very high89 Ų8937.7 Ų37.762%0.62221%0.212SC*.G310 helixtrans-65.3-22.3178.281.90000112.9N380 Y384N380-S382 PolarHBondContact ND2-OG 2.81Å; N380-S382 PolarHBondContact O-N 2.79Å; N380-S382 VanDerWaalsContact O-N 3.08Å; N380-S382 WeakPolarHBondContact OD1-CB 3.5Å; N380-S382 PolarHBondContact OD1-N 2.51Å; N380-S382 PolarHBondContact OD1-OG 2.95Å; S382-Y384 VanDerWaalsContact C-N 3.28Å; S382-Y384 PolarHBondContact O-N 3.47Å
383T92.9Very high93.5Very high53 Ų5338.1 Ų38.133%0.32522%0.215SC..G310 helixtrans-852.4179.568.60000113.4W376 S378 N380 A381W376-T383 WeakPolarHBondContact CZ2-OG1 2.85Å; S378-T383 PolarHBondContact OG-OG1 2.9Å; N380-T383 HydrophobicContact CB-CG2 4.3Å; N380-T383 PolarHBondContact O-N 3.43Å; N380-T383 VanDerWaalsContact O-N 3.1Å; N380-T383 PolarHBondContact O-OG1 3.08Å; A381-T383 PolarHBondContact O-N 2.6Å
384Y94.7Very high93.3Very high47 Ų4739 Ų3918%0.18422%0.222CC..  trans-51.7123.3-179.3-176.8-109.3000111.7T319 W376 A381 S382 Y386 K493T319-Y384 HydrophobicContact CG2-CE2 4.18Å; T319-Y384 WeakPolarHBondContact OG1-CE2 3.27Å; W376-Y384 HydrophobicContact CE3-CD2 4.15Å; W376-Y384 HydrophobicContact CH2-CD2 4Å; W376-Y384 AromaticContact CZ3-CD2 3.74Å; W376-Y384 HydrophobicContact CZ3-CD2 3.74Å; W376-Y384 HydrophobicContact CZ3-CE2 4.44Å; A381-Y384 VanDerWaalsContact O-CB 3.3Å; A381-Y384 WeakPolarHBondContact O-CB 3.38Å; A381-Y384 PolarHBondContact O-N 2.91Å; A381-Y384 VanDerWaalsContact O-N 3.17Å; S382-Y384 VanDerWaalsContact C-N 3.28Å; S382-Y384 PolarHBondContact O-N 3.47Å; Y384-Y386 VanDerWaalsContact CD1-O 3.22Å; Y384-Y386 WeakPolarHBondContact CD1-O 3.29Å; Y384-Y386 VanDerWaalsContact CE1-O 3.28Å; Y384-Y386 WeakPolarHBondContact CE1-O 3.39Å; Y384-Y386 HydrophobicContact CE2-CD2 4.31Å; Y384-K493 PolarHBondContact O-NZ 3Å
385P94.5Very high93.1Very high17 Ų1738.2 Ų38.211%0.1122%0.218CC..  trans-83.1-18.2-164.728.1-33000114.1L290 W376 G496 E497L290-P385 HydrophobicContact CD1-CG 4.2Å; W376-P385 HydrophobicContact CB-CG 4.06Å; W376-P385 HydrophobicContact CD2-CG 4.28Å; W376-P385 HydrophobicContact CG-CG 3.8Å; P385-G496 WeakPolarHBondContact O-CA 3.33Å; P385-E497 HydrophobicContact CB-CG 4.12Å; P385-E497 PolarHBondContact O-N 3.39Å
386Y94.2Very high92.9Very high2 Ų242 Ų421%0.00824%0.238CC..SBendtrans-97.9153.9-172.4-63-77.1000112.9L290 T319 Y321 L346 Y384 E497 L499L290-Y386 HydrophobicContact CD1-CE2 4.37Å; T319-Y386 HydrophobicContact CG2-CD2 3.98Å; T319-Y386 HydrophobicContact CG2-CE2 3.79Å; Y321-Y386 HydrophobicContact CD1-CE1 4.03Å; L346-Y386 HydrophobicContact CD1-CD1 4.42Å; L346-Y386 HydrophobicContact CD1-CD2 3.8Å; L346-Y386 HydrophobicContact CD1-CE1 4.27Å; L346-Y386 HydrophobicContact CD1-CE2 3.64Å; L346-Y386 HydrophobicContact CD1-CG 4.21Å; L346-Y386 HydrophobicContact CD2-CD2 4.47Å; L346-Y386 HydrophobicContact CD2-CG 4.27Å; Y384-Y386 VanDerWaalsContact CD1-O 3.22Å; Y384-Y386 WeakPolarHBondContact CD1-O 3.29Å; Y384-Y386 VanDerWaalsContact CE1-O 3.28Å; Y384-Y386 WeakPolarHBondContact CE1-O 3.39Å; Y384-Y386 HydrophobicContact CE2-CD2 4.31Å; Y386-E497 HydrophobicContact CD1-CB 3.37Å; Y386-E497 HydrophobicContact CD1-CG 4.18Å; Y386-E497 HydrophobicContact CE1-CB 3.37Å; Y386-E497 HydrophobicContact CE1-CG 3.77Å; Y386-E497 HydrophobicContact CG-CB 4.23Å; Y386-L499 HydrophobicContact CD1-CD1 4.14Å; Y386-L499 HydrophobicContact CD1-CD2 3.52Å; Y386-L499 HydrophobicContact CD1-CG 3.73Å; Y386-L499 HydrophobicContact CE1-CD2 3.84Å; Y386-L499 HydrophobicContact CE1-CG 4.5Å; Y386-L499 HydrophobicContact CG-CD1 4.35Å; Y386-L499 HydrophobicContact CG-CD2 4.37Å; Y386-L499 HydrophobicContact CG-CG 4.43Å
387P92.3Very high92.8Very high5 Ų544.6 Ų44.63%0.03225%0.254CS..PPolyproline II helixtrans-69.1148.9170.329.5-33.8000110.2M389 H418 A491 K493 E497 L499P387-M389 HydrophobicContact CG-SD 4.22Å; P387-M389 PolarHBondContact O-N 2.93Å; P387-H418 HydrophobicContact CB-CB 4.39Å; P387-A491 HydrophobicContact CG-CB 4.17Å; P387-K493 HydrophobicContact CB-CB 4.2Å; P387-E497 WeakPolarHBondContact CD-O 3.2Å; P387-L499 HydrophobicContact CG-CB 4.41Å; P387-L499 HydrophobicContact CG-CD1 4.16Å; P387-L499 HydrophobicContact CG-CG 4.31Å
388T89.5Confident92.6Very high48 Ų4845.9 Ų45.929%0.29426%0.26SS..PPolyproline II helixtrans-63.7133.2164.2-560000108.1S414 Q416T388-S414 WeakPolarHBondContact O-CB 3.48Å; T388-S414 PolarHBondContact O-OG 3.26Å; T388-Q416 VanDerWaalsContact OG1-CD 3.27Å; T388-Q416 PolarHBondContact OG1-OE1 3.19Å
389M89.1Confident92Very high48 Ų4853.7 Ų53.724%0.23630%0.297CS..PPolyproline II helixtrans-102151176.9-62.3-61.8-73.300109.7P387 T393 A491 L499 Y501P387-M389 HydrophobicContact CG-SD 4.22Å; P387-M389 PolarHBondContact O-N 2.93Å; M389-T393 HydrophobicContact CB-CG2 3.94Å; M389-T393 HydrophobicContact CE-CG2 3.65Å; M389-A491 HydrophobicContact CE-CB 4.44Å; M389-A491 HydrophobicContact SD-CB 3.99Å; M389-L499 HydrophobicContact CE-CB 4.31Å; M389-L499 HydrophobicContact CG-CD1 3.7Å; M389-L499 HydrophobicContact SD-CB 3.94Å; M389-L499 HydrophobicContact SD-CD1 3.96Å; M389-Y501 HydrophobicContact CE-CD2 3.71Å; M389-Y501 HydrophobicContact CE-CE2 3.53Å; M389-Y501 HydrophobicContact CE-CG 4.36Å
390P89.5Confident91.5Very high7 Ų759.1 Ų59.15%0.04532%0.318CS..PPolyproline II helixtrans-63.2164169.830-37.8000111.3D392 T393 L412 E469 Y501P390-D392 WeakPolarHBondContact CG-O 3.37Å; P390-D392 PolarHBondContact O-N 2.82Å; P390-T393 HydrophobicContact CG-CG2 4.21Å; P390-L412 HydrophobicContact CB-CB 3.7Å; P390-L412 HydrophobicContact CG-CB 4.02Å; P390-E469 VanDerWaalsContact CA-OE1 3.22Å; P390-E469 WeakPolarHBondContact CA-OE1 3.15Å; P390-E469 VanDerWaalsContact CB-OE2 3.27Å; P390-E469 WeakPolarHBondContact CB-OE2 3.29Å; P390-Y501 HydrophobicContact CG-CE1 3.97Å
391F87.7Confident91.1Very high169 Ų16955.7 Ų55.774%0.74130%0.3SS*.SBendtrans-61.8-30.7177.674-94.6000112.6L412 E469F391-L412 HydrophobicContact CD1-CD1 4.32Å; F391-L412 HydrophobicContact CE1-CD1 3.61Å; F391-L412 HydrophobicContact CE2-CD1 4.26Å; F391-L412 HydrophobicContact CZ-CD1 3.57Å; F391-E469 WeakPolarHBondContact CD1-OE1 3.48Å; F391-E469 WeakPolarHBondContact CD1-OE2 3.27Å; F391-E469 WeakPolarHBondContact CE1-OE2 3.32Å; F391-E469 PolarHBondContact N-OE1 3.44Å
392D90.4Very high91.2Very high54 Ų5457.9 Ų57.929%0.28930%0.296SS..  trans-119.6113.9173.4-173.96.1000110.8P390 S394 L412P390-D392 WeakPolarHBondContact CG-O 3.37Å; P390-D392 PolarHBondContact O-N 2.82Å; D392-S394 VanDerWaalsContact C-N 3.31Å; D392-S394 WeakPolarHBondContact OD1-CB 3.44Å; D392-S394 PolarHBondContact OD1-N 2.86Å; D392-S394 PolarHBondContact OD1-OG 2.79Å; D392-L412 HydrophobicContact CB-CD1 3.93Å
393T92Very high91.4Very high37 Ų3756 Ų5623%0.22728%0.281CS..  trans-9520.5178.758.50000112.5M389 P390 Y501 R502M389-T393 HydrophobicContact CB-CG2 3.94Å; M389-T393 HydrophobicContact CE-CG2 3.65Å; P390-T393 HydrophobicContact CG-CG2 4.21Å; T393-Y501 WeakPolarHBondContact O-CA 3.43Å; T393-Y501 VanDerWaalsContact O-CB 3.26Å; T393-Y501 WeakPolarHBondContact O-CB 3.25Å; T393-Y501 WeakPolarHBondContact O-CD1 3.38Å; T393-R502 PolarHBondContact O-N 2.86Å
394S92.4Very high91.5Very high20 Ų2054 Ų5414%0.1427%0.269CS..BIsolated β-bridgetrans-74133.4177.3-58.50000112D392D392-S394 VanDerWaalsContact C-N 3.31Å; D392-S394 WeakPolarHBondContact OD1-CB 3.44Å; D392-S394 PolarHBondContact OD1-N 2.86Å; D392-S394 PolarHBondContact OD1-OG 2.79Å
395L92.2Very high91.6Very high7 Ų759.3 Ų59.34%0.03729%0.288CS..  trans-92.4110.8166.9-177.159000108.9L409 W411 L422 F487 L489 R502 V504L395-L409 HydrophobicContact CD1-CB 4.06Å; L395-L409 HydrophobicContact CD1-CD1 4.44Å; L395-L409 HydrophobicContact CD2-CD1 4.39Å; L395-W411 HydrophobicContact CD1-CB 4.22Å; L395-W411 HydrophobicContact CD1-CD2 4.48Å; L395-W411 HydrophobicContact CD1-CE3 3.85Å; L395-L422 HydrophobicContact CD2-CD1 4.12Å; L395-F487 HydrophobicContact CD2-CB 3.92Å; L395-L489 HydrophobicContact CD1-CD2 4.32Å; L395-L489 HydrophobicContact CD2-CB 4.12Å; L395-R502 VanDerWaalsContact CB-O 3.29Å; L395-R502 WeakPolarHBondContact CB-O 3.39Å; L395-V504 HydrophobicContact CB-CB 4.42Å; L395-V504 HydrophobicContact CB-CG1 4.26Å; L395-V504 HydrophobicContact CD2-CG1 3.68Å; L395-V504 HydrophobicContact CG-CB 4.42Å; L395-V504 HydrophobicContact CG-CG1 3.73Å; L395-V504 WeakPolarHBondContact O-CB 3.41Å
396L93.5Very high91.7Very high81 Ų8158.6 Ų58.642%0.42428%0.284SS..EExtended strand (participates in β ladder)trans-97.3143-172.3-57.8178.6000111.5L409 G410L396-L409 CarbonylContact O-C 3.59Å; L396-L409 WeakPolarHBondContact O-CA 3.43Å; L396-G410 PolarHBondContact N-O 2.92Å; L396-G410 PolarHBondContact O-N 2.86Å
397V93.9Very high91.8Very high53 Ų5358.5 Ų58.532%0.32128%0.284SS..EExtended strand (participates in β ladder)trans-87.7116.3161.2-177.80000107.4V407 L409 V504 V506V397-V407 HydrophobicContact CG1-CG2 3.72Å; V397-V407 HydrophobicContact CG2-CG2 4.31Å; V397-L409 HydrophobicContact CG2-CD2 3.95Å; V397-V504 HydrophobicContact CG2-CG2 3.97Å; V397-V506 HydrophobicContact CG2-CG1 4.4Å; V397-V506 HydrophobicContact CG2-CG2 3.37Å
398L93.2Very high92Very high29 Ų2962.7 Ų62.715%0.15230%0.299CS..EExtended strand (participates in β ladder)trans-69.1144.8-178.6-58-173.7000110.9H400 G401 R408 M471 T473L398-H400 PolarHBondContact O-N 3.12Å; L398-G401 WeakPolarHBondContact O-CA 3.48Å; L398-G401 PolarHBondContact O-N 2.89Å; L398-R408 HydrophobicContact CD1-CG 3.99Å; L398-R408 PolarHBondContact N-O 2.82Å; L398-M471 HydrophobicContact CD1-CE 4.5Å; L398-M471 HydrophobicContact CD2-CE 4.17Å; L398-M471 HydrophobicContact CD2-SD 4.13Å; L398-T473 HydrophobicContact CD1-CG2 3.59Å
399E85.5Confident92.4Very high164 Ų16460.4 Ų60.477%0.76628%0.284SS*.EExtended strand (participates in β ladder)trans-54.7139176.2-69.1-171.3165.100111.4G401 R408E399-G401 PolarHBondContact O-N 3.19Å; E399-R408 PolarHBondContact O-NH2 3.15Å
400H85.5Confident92.6Very high174 Ų17458.1 Ų58.181%0.80627%0.273SS*.EExtended strand (participates in β ladder)trans54.96.9-173.3-49.9-72.4000114.8L398 R402L398-H400 PolarHBondContact O-N 3.12Å; H400-R402 PolarHBondContact O-N 3Å
401G87Confident92.9Very high4 Ų458 Ų584%0.04127%0.272CS..EExtended strand (participates in β ladder)trans-79.5-2.1178.700000114.3L398 E399 V407 R408L398-G401 WeakPolarHBondContact O-CA 3.48Å; L398-G401 PolarHBondContact O-N 2.89Å; E399-G401 PolarHBondContact O-N 3.19Å; G401-V407 CarbonylContact O-C 3.55Å; G401-V407 VanDerWaalsContact O-CA 3.25Å; G401-V407 WeakPolarHBondContact O-CA 3.44Å; G401-R408 PolarHBondContact O-N 2.83Å
402R94Very high93.1Very high107 Ų10751.4 Ų51.440%0.40424%0.244SC..EExtended strand (participates in β ladder)trans-105.8118.8-176.7-174.5178.770.1143.9-8.9111.3H400 V506 K507 K509H400-R402 PolarHBondContact O-N 3Å; R402-V506 HydrophobicContact CG-CG1 4.27Å; R402-K507 VanDerWaalsContact CD-O 3.31Å; R402-K507 WeakPolarHBondContact CD-O 3.21Å; R402-K507 PolarHBondContact NH1-O 2.98Å; R402-K509 WeakPolarHBondContact O-CE 3.31Å; R402-K509 PolarHBondContact O-NZ 3.08Å
403T95.5Very high92.8Very high51 Ų5149.7 Ų49.731%0.31323%0.234SC..  trans-113.3-173.2171.975.90000110.8R405 S406 K509T403-R405 PolarHBondContact OG1-N 3.08Å; T403-R405 VanDerWaalsContact OG1-N 3.08Å; T403-S406 WeakPolarHBondContact CG2-OG 3.47Å; T403-S406 PolarHBondContact N-O 3.08Å; T403-S406 PolarHBondContact OG1-N 2.81Å; T403-S406 PolarHBondContact OG1-O 2.75Å; T403-S406 PolarHBondContact OG1-OG 2.93Å; T403-K509 PolarHBondContact O-N 3.13Å; T403-K509 VanDerWaalsContact O-N 3.08Å
404C95.4Very high92.5Very high10 Ų1048.2 Ų48.27%0.06823%0.226CC..SBendtrans-71.1-18.6169.657.60000112.7R480 P481 K509 F511 C512C404-R480 CarbonylContact O-C 3.47Å; C404-P481 HydrophobicContact CB-CB 4.23Å; C404-P481 HydrophobicContact CB-CG 4.13Å; C404-P481 VanDerWaalsContact O-CA 3.28Å; C404-P481 WeakPolarHBondContact O-CA 3.12Å; C404-K509 HydrophobicContact CB-CB 4.27Å; C404-F511 WeakPolarHBondContact CB-O 3.29Å; C404-C512 HydrophobicContact CB-CB 4.08Å; C404-C512 WeakPolarHBondContact CB-SG 3.49Å; C404-C512 WeakPolarHBondContact SG-CA 3.48Å; C404-C512 WeakPolarHBondContact SG-CB 3.41Å; C404-C512 CovalentContact SG-SG 2.02Å; C404-C512 PolarHBondContact SG-SG 2.76Å
405R96.2Very high91.8Very high158 Ų15850.8 Ų50.860%0.59624%0.241SC*.SBendtrans-132.6-1.9-170.7-67.1178.2106.7134.63.9114.8T403 G478 L479T403-R405 PolarHBondContact OG1-N 3.08Å; T403-R405 VanDerWaalsContact OG1-N 3.08Å; R405-G478 PolarHBondContact O-N 3.01Å; R405-G478 VanDerWaalsContact O-N 3.08Å; R405-L479 WeakPolarHBondContact CA-O 3.46Å; R405-L479 PolarHBondContact O-N 2.88Å
406S96.6Very high91.4Very high3 Ų354.9 Ų54.92%0.02126%0.26CS..  trans-147.7156.2179.869.90000112.4T403 E475 V476 M477T403-S406 WeakPolarHBondContact CG2-OG 3.47Å; T403-S406 PolarHBondContact N-O 3.08Å; T403-S406 PolarHBondContact OG1-N 2.81Å; T403-S406 PolarHBondContact OG1-O 2.75Å; T403-S406 PolarHBondContact OG1-OG 2.93Å; S406-E475 VanDerWaalsContact CB-OE1 3.29Å; S406-E475 WeakPolarHBondContact CB-OE1 3.29Å; S406-E475 PolarHBondContact OG-OE1 2.81Å; S406-V476 WeakPolarHBondContact CA-O 2.99Å; S406-V476 WeakPolarHBondContact CB-O 3.4Å; S406-M477 WeakPolarHBondContact CB-SD 3.48Å
407V96.9Very high90.8Very high0 Ų052.9 Ų52.90%026%0.255CS..EExtended strand (participates in β ladder)trans-134.9136.1166.568.50000109.4V397 G401 L409 V476 L479 F487 V506V397-V407 HydrophobicContact CG1-CG2 3.72Å; V397-V407 HydrophobicContact CG2-CG2 4.31Å; G401-V407 CarbonylContact O-C 3.55Å; G401-V407 VanDerWaalsContact O-CA 3.25Å; G401-V407 WeakPolarHBondContact O-CA 3.44Å; V407-L409 HydrophobicContact CG1-CD2 4.32Å; V407-L409 HydrophobicContact CG1-CG 4.25Å; V407-L409 HydrophobicContact CG2-CD2 3.98Å; V407-V476 HydrophobicContact CG1-CB 4.14Å; V407-V476 HydrophobicContact CG1-CG2 4.45Å; V407-V476 PolarHBondContact N-O 2.99Å; V407-V476 PolarHBondContact O-N 2.99Å; V407-L479 HydrophobicContact CB-CD1 4.2Å; V407-L479 HydrophobicContact CG1-CD1 3.85Å; V407-F487 HydrophobicContact CG1-CE1 4.22Å; V407-F487 HydrophobicContact CG1-CE2 3.71Å; V407-F487 HydrophobicContact CG1-CZ 3.47Å; V407-F487 VanDerWaalsContact CG1-CZ 3.47Å; V407-V506 HydrophobicContact CB-CG1 4.43Å; V407-V506 HydrophobicContact CG2-CB 4.48Å; V407-V506 HydrophobicContact CG2-CG1 3.86Å; V407-V506 HydrophobicContact CG2-CG2 4.25Å
408R97.1Very high90.5Very high92 Ų9250.4 Ų50.435%0.34724%0.24SC..EExtended strand (participates in β ladder)trans-102118.3173.5-169.7165.837.61194.2109.7L398 E399 G401 R474 E475L398-R408 HydrophobicContact CD1-CG 3.99Å; L398-R408 PolarHBondContact N-O 2.82Å; E399-R408 PolarHBondContact O-NH2 3.15Å; G401-R408 PolarHBondContact O-N 2.83Å; R408-R474 CarbonylContact C-O 3.58Å; R408-R474 WeakPolarHBondContact CA-O 3.05Å; R408-E475 HydrophobicContact CB-CG 4.43Å; R408-E475 HydrophobicContact CG-CB 4.46Å
409L96.7Very high90.5Very high0 Ų050.4 Ų50.40%024%0.242CC..EExtended strand (participates in β ladder)trans-104.9152.6-177.8-58.7174.9000110.5L395 L396 V397 V407 L422 T473 R474 V476 F487 V504L395-L409 HydrophobicContact CD1-CB 4.06Å; L395-L409 HydrophobicContact CD1-CD1 4.44Å; L395-L409 HydrophobicContact CD2-CD1 4.39Å; L396-L409 CarbonylContact O-C 3.59Å; L396-L409 WeakPolarHBondContact O-CA 3.43Å; V397-L409 HydrophobicContact CG2-CD2 3.95Å; V407-L409 HydrophobicContact CG1-CD2 4.32Å; V407-L409 HydrophobicContact CG1-CG 4.25Å; V407-L409 HydrophobicContact CG2-CD2 3.98Å; L409-L422 HydrophobicContact CD1-CD1 4.21Å; L409-L422 HydrophobicContact CD1-CD2 4.05Å; L409-T473 CarbonylContact O-C 3.56Å; L409-T473 VanDerWaalsContact O-CA 3.29Å; L409-T473 WeakPolarHBondContact O-CA 3.38Å; L409-R474 PolarHBondContact N-O 3.38Å; L409-R474 PolarHBondContact O-N 3.39Å; L409-V476 HydrophobicContact CD1-CG2 4.21Å; L409-F487 HydrophobicContact CD1-CB 4.02Å; L409-F487 HydrophobicContact CD1-CD1 3.78Å; L409-F487 HydrophobicContact CD1-CD2 4.27Å; L409-F487 HydrophobicContact CD1-CE1 4.31Å; L409-F487 HydrophobicContact CD1-CG 3.76Å; L409-V504 HydrophobicContact CD2-CG1 4.08Å
410G94.5Very high90.8Very high0 Ų042.6 Ų42.60%021%0.206CC..EExtended strand (participates in β ladder)trans-139.2147.4173.500000112.5L396 I472L396-G410 PolarHBondContact N-O 2.92Å; L396-G410 PolarHBondContact O-N 2.86Å; G410-I472 CarbonylContact C-O 3.5Å; G410-I472 WeakPolarHBondContact CA-O 3.48Å
411W94.1Very high91.3Very high5 Ų535.6 Ų35.62%0.01918%0.176CC..EExtended strand (participates in β ladder)trans-154.2161.917665.994.1000110.2L395 V420 F455 M471 I472 R474 L489 Y501L395-W411 HydrophobicContact CD1-CB 4.22Å; L395-W411 HydrophobicContact CD1-CD2 4.48Å; L395-W411 HydrophobicContact CD1-CE3 3.85Å; W411-V420 HydrophobicContact CZ2-CG1 4.43Å; W411-F455 AromaticContact CH2-CE1 3.41Å; W411-F455 HydrophobicContact CH2-CE1 3.41Å; W411-F455 VanDerWaalsContact CH2-CE1 3.41Å; W411-F455 HydrophobicContact CH2-CE2 4.33Å; W411-F455 AromaticContact CH2-CZ 3.26Å; W411-F455 HydrophobicContact CH2-CZ 3.26Å; W411-F455 HydrophobicContact CZ2-CE1 4Å; W411-F455 HydrophobicContact CZ2-CE2 4.2Å; W411-F455 AromaticContact CZ2-CZ 3.34Å; W411-F455 HydrophobicContact CZ2-CZ 3.34Å; W411-F455 HydrophobicContact CZ3-CE1 4.15Å; W411-F455 HydrophobicContact CZ3-CZ 4.3Å; W411-M471 CarbonylContact O-C 3.58Å; W411-M471 WeakPolarHBondContact O-CA 3.4Å; W411-I472 HydrophobicContact CD2-CB 4.23Å; W411-I472 HydrophobicContact CH2-CB 4.31Å; W411-I472 HydrophobicContact CH2-CG2 3.58Å; W411-I472 HydrophobicContact CZ2-CB 3.73Å; W411-I472 HydrophobicContact CZ2-CD1 4.24Å; W411-I472 HydrophobicContact CZ2-CG2 3.26Å; W411-I472 HydrophobicContact CZ3-CG2 4.35Å; W411-I472 PolarHBondContact N-O 3.21Å; W411-I472 PolarHBondContact O-N 3.03Å; W411-R474 HydrophobicContact CH2-CB 3.89Å; W411-R474 HydrophobicContact CZ3-CB 3.84Å; W411-L489 HydrophobicContact CB-CD2 3.89Å; W411-L489 HydrophobicContact CD2-CD1 4.49Å; W411-L489 HydrophobicContact CD2-CD2 3.56Å; W411-L489 HydrophobicContact CE3-CD2 4.22Å; W411-L489 HydrophobicContact CG-CD2 3.36Å; W411-L489 HydrophobicContact CZ2-CD1 4.45Å; W411-Y501 HydrophobicContact CB-CD1 4.29Å; W411-Y501 HydrophobicContact CB-CE1 4.11Å; W411-Y501 HydrophobicContact CG-CE1 4.42Å
412L92Very high91.7Very high31 Ų3135.4 Ų35.416%0.16217%0.174CC..EExtended strand (participates in β ladder)trans-85.5136.7177.7-60.5179.3000111.7P390 F391 D392 E469 M471 Y501P390-L412 HydrophobicContact CB-CB 3.7Å; P390-L412 HydrophobicContact CG-CB 4.02Å; F391-L412 HydrophobicContact CD1-CD1 4.32Å; F391-L412 HydrophobicContact CE1-CD1 3.61Å; F391-L412 HydrophobicContact CE2-CD1 4.26Å; F391-L412 HydrophobicContact CZ-CD1 3.57Å; D392-L412 HydrophobicContact CB-CD1 3.93Å; L412-E469 VanDerWaalsContact CD1-OE2 3.25Å; L412-E469 WeakPolarHBondContact CD1-OE2 3.27Å; L412-M471 HydrophobicContact CD2-CB 4.12Å; L412-Y501 PolarHBondContact O-OH 2.97Å
413E85.7Confident91.8Very high17 Ų1731.7 Ų31.78%0.07916%0.161CC..PPolyproline II helixtrans-77.3143.6174.3-167.3176.7168.700111.4F459 H462 V470 I472E413-F459 HydrophobicContact CG-CD1 4.36Å; E413-F459 HydrophobicContact CG-CG 4.48Å; E413-F459 WeakPolarHBondContact OE1-CB 3.37Å; E413-F459 WeakPolarHBondContact OE1-CD1 3.36Å; E413-F459 WeakPolarHBondContact OE1-CG 3.45Å; E413-H462 IonicContact OE1-ND1 3.08Å; E413-V470 WeakPolarHBondContact CB-O 3.25Å; E413-V470 PolarHBondContact N-O 2.8Å; E413-I472 HydrophobicContact CB-CD1 3.62Å; E413-I472 HydrophobicContact CB-CG1 4.12Å; E413-I472 HydrophobicContact CG-CD1 3.77Å
414S83.8Confident91.7Very high7 Ų730.6 Ų30.65%0.04915%0.152CC..PPolyproline II helixtrans-75.7151.3170172.60000112.5T388 Q416 H418T388-S414 WeakPolarHBondContact O-CB 3.48Å; T388-S414 PolarHBondContact O-OG 3.26Å; S414-Q416 VanDerWaalsContact C-N 3.3Å; S414-Q416 PolarHBondContact O-N 2.78Å; S414-Q416 PolarHBondContact OG-N 3.15Å; S414-H418 PolarHBondContact N-CE1 2.96Å
415T79.6Confident91.5Very high73 Ų7332 Ų3245%0.44816%0.156SC..SBendtrans-70.7-21.3179.2560000114.1
416Q82Confident91.2Very high94 Ų9429.8 Ų29.844%0.43915%0.147SC..SBendtrans-104.4165-177.3-67.2-171.93.700112.6T388 S414 H418T388-Q416 VanDerWaalsContact OG1-CD 3.27Å; T388-Q416 PolarHBondContact OG1-OE1 3.19Å; S414-Q416 VanDerWaalsContact C-N 3.3Å; S414-Q416 PolarHBondContact O-N 2.78Å; S414-Q416 PolarHBondContact OG-N 3.15Å; Q416-H418 PolarHBondContact O-N 2.83Å; Q416-H418 PolarHBondContact O-ND1 2.81Å
417A81.8Confident90.7Very high39 Ų3930.3 Ų30.332%0.32215%0.149SC..  trans-62.9123.9176.300000111.4F459 P494A417-F459 WeakPolarHBondContact CA-O 3.39Å; A417-P494 WeakPolarHBondContact O-CD 3.26Å
418H86.9Confident89.7Confident1 Ų138.6 Ų38.61%0.00519%0.188CC..EExtended strand (participates in β ladder)trans-152.2163.1-177.563.9-67.9000110.4P387 S414 Q416 V420 F459 S492P387-H418 HydrophobicContact CB-CB 4.39Å; S414-H418 PolarHBondContact N-CE1 2.96Å; Q416-H418 PolarHBondContact O-N 2.83Å; Q416-H418 PolarHBondContact O-ND1 2.81Å; H418-V420 WeakPolarHBondContact CD2-CG2 3.1Å; H418-V420 WeakPolarHBondContact NE2-CG2 3.32Å; H418-F459 PolarHBondContact N-O 2.84Å; H418-F459 PolarHBondContact O-N 2.98Å; H418-S492 WeakPolarHBondContact CA-O 3.27Å
419S92.8Very high88.3Confident29 Ų2939.1 Ų39.120%0.20320%0.198CC..EExtended strand (participates in β ladder)trans-108.2136168.6-65.20000109.5R457 A491 S492S419-R457 CarbonylContact C-O 3.56Å; S419-R457 WeakPolarHBondContact CA-O 3.38Å; S419-A491 CarbonylContact O-C 3.4Å; S419-A491 VanDerWaalsContact O-CA 3.31Å; S419-A491 WeakPolarHBondContact O-CA 3.46Å; S419-S492 PolarHBondContact N-O 2.9Å; S419-S492 PolarHBondContact O-N 3.13Å
420V93.1Very high86.7Confident0 Ų043.7 Ų43.70%022%0.222CC..EExtended strand (participates in β ladder)trans-115.9126.2175.3-178.30000109.5W411 H418 F455 C456 R457 F459 L489 Y490W411-V420 HydrophobicContact CZ2-CG1 4.43Å; H418-V420 WeakPolarHBondContact CD2-CG2 3.1Å; H418-V420 WeakPolarHBondContact NE2-CG2 3.32Å; V420-F455 HydrophobicContact CG1-CE2 4.38Å; V420-F455 HydrophobicContact CG1-CZ 4.16Å; V420-F455 WeakPolarHBondContact O-CE2 3.38Å; V420-C456 CarbonylContact O-C 3.6Å; V420-C456 VanDerWaalsContact O-CA 3.28Å; V420-C456 WeakPolarHBondContact O-CA 3.07Å; V420-C456 PolarHBondContact O-SG 2.86Å; V420-R457 PolarHBondContact N-O 3.19Å; V420-R457 PolarHBondContact O-N 3.41Å; V420-F459 HydrophobicContact CB-CD2 4.41Å; V420-F459 HydrophobicContact CB-CE2 3.99Å; V420-F459 HydrophobicContact CG2-CD2 3.99Å; V420-F459 HydrophobicContact CG2-CE2 3.9Å; V420-L489 HydrophobicContact CG1-CD1 3.27Å; V420-L489 HydrophobicContact CG1-CD2 3.98Å; V420-L489 HydrophobicContact CG1-CG 3.61Å; V420-Y490 CarbonylContact C-O 3.57Å; V420-Y490 VanDerWaalsContact CA-O 3.28Å; V420-Y490 WeakPolarHBondContact CA-O 3.24Å
421C95Very high84.9Confident26 Ų2648.4 Ų48.418%0.17624%0.241CC..EExtended strand (participates in β ladder)trans-120131.1173.3-520000110.8F423 L453 F455 C456 Y490C421-F423 HydrophobicContact CB-CE2 3.64Å; C421-F423 HydrophobicContact CB-CZ 4.11Å; C421-L453 HydrophobicContact CB-CD1 4.04Å; C421-F455 CarbonylContact C-O 3.39Å; C421-F455 VanDerWaalsContact CA-O 3.32Å; C421-F455 WeakPolarHBondContact CA-O 3.45Å; C421-C456 HydrophobicContact CB-CB 3.71Å; C421-C456 WeakPolarHBondContact CB-SG 3.41Å; C421-C456 WeakPolarHBondContact SG-CB 3.27Å; C421-C456 CovalentContact SG-SG 2.05Å; C421-C456 PolarHBondContact SG-SG 2.89Å; C421-Y490 PolarHBondContact N-O 3.19Å; C421-Y490 PolarHBondContact O-N 2.75Å
422L96Very high83Confident0 Ų054.5 Ų54.50%027%0.267CS..EExtended strand (participates in β ladder)trans-105.5133.6175.5176.569.8000110.2L395 L409 V454 F455 V476 F487 L489L395-L422 HydrophobicContact CD2-CD1 4.12Å; L409-L422 HydrophobicContact CD1-CD1 4.21Å; L409-L422 HydrophobicContact CD1-CD2 4.05Å; L422-V454 HydrophobicContact CB-CB 4.38Å; L422-V454 HydrophobicContact CD2-CB 4.05Å; L422-V454 HydrophobicContact CD2-CG1 4Å; L422-V454 HydrophobicContact CD2-CG2 4.47Å; L422-V454 HydrophobicContact CG-CB 4.11Å; L422-V454 HydrophobicContact CG-CG2 4.38Å; L422-V454 WeakPolarHBondContact O-CB 3.31Å; L422-V454 PolarHBondContact O-N 3.42Å; L422-F455 HydrophobicContact CB-CD1 3.36Å; L422-F455 HydrophobicContact CB-CE1 3.12Å; L422-F455 HydrophobicContact CB-CG 4.28Å; L422-F455 HydrophobicContact CB-CZ 3.85Å; L422-F455 HydrophobicContact CD2-CD1 3.73Å; L422-F455 HydrophobicContact CD2-CE1 3.61Å; L422-F455 HydrophobicContact CG-CD1 4.16Å; L422-F455 HydrophobicContact CG-CE1 3.96Å; L422-F455 PolarHBondContact N-O 2.79Å; L422-F455 PolarHBondContact O-N 2.92Å; L422-V476 HydrophobicContact CD2-CG2 3.94Å; L422-F487 HydrophobicContact CD1-CB 4.21Å; L422-F487 HydrophobicContact CD1-CD1 4.45Å; L422-L489 HydrophobicContact CB-CD1 3.72Å; L422-L489 HydrophobicContact CD1-CB 4.27Å; L422-L489 HydrophobicContact CD1-CD1 4Å; L422-L489 HydrophobicContact CG-CD1 4.44Å
423F95.3Very high81.2Confident30 Ų3056 Ų5613%0.13228%0.278CS..EExtended strand (participates in β ladder)trans-119151.7175.8-61.3-96.3000110.4C421 P447 E452 L453 F487 D488 Y490C421-F423 HydrophobicContact CB-CE2 3.64Å; C421-F423 HydrophobicContact CB-CZ 4.11Å; F423-P447 HydrophobicContact CB-CB 4.42Å; F423-P447 HydrophobicContact CD1-CB 3.69Å; F423-P447 HydrophobicContact CD1-CG 4.13Å; F423-P447 HydrophobicContact CD2-CB 3.94Å; F423-P447 HydrophobicContact CD2-CG 4.36Å; F423-P447 HydrophobicContact CE1-CB 3.84Å; F423-P447 HydrophobicContact CE1-CG 3.72Å; F423-P447 HydrophobicContact CE2-CB 4.07Å; F423-P447 HydrophobicContact CE2-CG 3.97Å; F423-P447 HydrophobicContact CG-CB 3.75Å; F423-P447 HydrophobicContact CG-CG 4.43Å; F423-P447 HydrophobicContact CZ-CB 4.03Å; F423-P447 HydrophobicContact CZ-CG 3.64Å; F423-E452 CarbonylContact C-O 3.47Å; F423-E452 VanDerWaalsContact CA-O 3.27Å; F423-E452 WeakPolarHBondContact CA-O 3.09Å; F423-L453 HydrophobicContact CD1-CB 4.09Å; F423-L453 HydrophobicContact CD1-CD1 4.07Å; F423-L453 HydrophobicContact CE1-CB 3.88Å; F423-L453 HydrophobicContact CE1-CD1 3.56Å; F423-L453 HydrophobicContact CE1-CG 4.31Å; F423-L453 HydrophobicContact CE2-CD1 4.09Å; F423-L453 HydrophobicContact CZ-CD1 3.57Å; F423-F487 WeakPolarHBondContact O-CA 3.49Å; F423-D488 PolarHBondContact N-O 2.99Å; F423-D488 PolarHBondContact O-N 2.9Å; F423-D488 VanDerWaalsContact O-N 3.1Å; F423-Y490 AromaticContact CD2-CD2 3.74Å; F423-Y490 HydrophobicContact CD2-CD2 3.74Å; F423-Y490 HydrophobicContact CD2-CE2 4.04Å; F423-Y490 AromaticContact CE2-CD2 3.87Å; F423-Y490 HydrophobicContact CE2-CD2 3.87Å; F423-Y490 HydrophobicContact CE2-CE2 4.42Å
424K94.7Very high79.7Confident27 Ų2755.5 Ų55.512%0.11728%0.276CS..EExtended strand (participates in β ladder)trans-128.7146.6171.972.5-178177.4-170.10110.2E452 V454 V476 L479 R486 F487K424-E452 WeakPolarHBondContact CE-OE1 3.17Å; K424-E452 WeakPolarHBondContact CE-OE2 3.42Å; K424-E452 HydrophobicContact CG-CB 4.13Å; K424-E452 PolarHBondContact N-O 2.8Å; K424-E452 VanDerWaalsContact NZ-CD 3.32Å; K424-E452 IonicContact NZ-OE1 3.54Å; K424-E452 PolarHBondContact NZ-OE1 3.22Å; K424-E452 IonicContact NZ-OE2 3.46Å; K424-E452 PolarHBondContact NZ-OE2 3.19Å; K424-E452 PolarHBondContact O-N 3.11Å; K424-V454 HydrophobicContact CB-CG2 3.66Å; K424-V454 HydrophobicContact CD-CG2 3.64Å; K424-V454 HydrophobicContact CG-CG2 3.5Å; K424-V476 HydrophobicContact CD-CG1 4.02Å; K424-L479 HydrophobicContact CD-CD2 4.31Å; K424-R486 CarbonylContact C-O 3.57Å; K424-R486 WeakPolarHBondContact CA-O 3.48Å; K424-F487 HydrophobicContact CB-CD1 3.61Å; K424-F487 HydrophobicContact CB-CE1 3.43Å; K424-F487 VanDerWaalsContact CB-CE1 3.43Å; K424-F487 HydrophobicContact CB-CZ 4.32Å
425R91.1Very high78.3Confident40 Ų4059.8 Ų59.815%0.15130%0.298CS..EExtended strand (participates in β ladder)trans-141.4150.9165.867.2-175.1-170.5112.17111E427 D450 Y485 R486R425-E427 IonicContact CZ-OE1 2.76Å; R425-E427 IonicContact CZ-OE2 3.56Å; R425-E427 IonicContact NE-OE1 3.57Å; R425-E427 PolarHBondContact NE-OE1 3.37Å; R425-E427 IonicContact NH1-OE1 2.63Å; R425-E427 IonicContact NH1-OE2 3.96Å; R425-E427 IonicContact NH2-OE1 3.47Å; R425-E427 PolarHBondContact NH2-OE1 3.36Å; R425-E427 IonicContact NH2-OE2 3.5Å; R425-D450 IonicContact NH1-OD2 2.88Å; R425-D450 PolarHBondContact NH1-OD2 3.46Å; R425-Y485 CarbonylContact O-C 3.58Å; R425-Y485 VanDerWaalsContact O-CA 3.29Å; R425-Y485 WeakPolarHBondContact O-CA 3.22Å; R425-R486 HydrophobicContact CG-CB 3.94Å; R425-R486 HydrophobicContact CG-CG 4.49Å; R425-R486 PolarHBondContact N-O 3.38Å; R425-R486 PolarHBondContact O-N 3.41Å
426R90.3Very high77Confident112 Ų11262.8 Ų62.842%0.42331%0.309SS..EExtended strand (participates in β ladder)trans-87.9125.2176.1-177.7-178.9176.8-155.4-4.4108.6N483 Y485R426-N483 PolarHBondContact NE-OD1 3.32Å; R426-N483 PolarHBondContact NH2-OD1 2.93Å; R426-Y485 HydrophobicContact CB-CD1 4.16Å; R426-Y485 HydrophobicContact CB-CE1 3.92Å; R426-Y485 HydrophobicContact CG-CE1 4.27Å
427E84.7Confident75.5Confident13 Ų1362.4 Ų62.46%0.06131%0.31CS..EExtended strand (participates in β ladder)trans-88.1132.7175.7-63.5-67.4179.800109.9R425 Q434 T484 R486R425-E427 IonicContact CZ-OE1 2.76Å; R425-E427 IonicContact CZ-OE2 3.56Å; R425-E427 IonicContact NE-OE1 3.57Å; R425-E427 PolarHBondContact NE-OE1 3.37Å; R425-E427 IonicContact NH1-OE1 2.63Å; R425-E427 IonicContact NH1-OE2 3.96Å; R425-E427 IonicContact NH2-OE1 3.47Å; R425-E427 PolarHBondContact NH2-OE1 3.36Å; R425-E427 IonicContact NH2-OE2 3.5Å; E427-Q434 VanDerWaalsContact CD-NE2 3.34Å; E427-Q434 PolarHBondContact OE2-NE2 2.92Å; E427-T484 HydrophobicContact CB-CG2 4.19Å; E427-T484 HydrophobicContact CG-CG2 4.48Å; E427-T484 PolarHBondContact N-O 2.91Å; E427-R486 HydrophobicContact CG-CB 3.98Å; E427-R486 VanDerWaalsContact OE1-CB 3.29Å; E427-R486 WeakPolarHBondContact OE1-CB 3.28Å; E427-R486 WeakPolarHBondContact OE1-CD 3.18Å
428Q76.6Confident74.2Confident175 Ų17564.2 Ų64.282%0.81831%0.314SS*.  trans-98.3-27177-60.9-170.816.100112.4
429D67.7Low72.4Confident102 Ų10272.7 Ų72.755%0.54535%0.354SS..SBendtrans-78.6157.8-179.7-50.8-52.8000111.8Q434D429-Q434 HydrophobicContact CB-CG 3.95Å
430D62.1Low70.7Confident97 Ų9776.9 Ų76.952%0.51937%0.37SS..  trans-64.3140.3176179.640.9000111.6F432 T433 Q434D430-F432 PolarHBondContact O-N 2.85Å; D430-F432 VanDerWaalsContact O-N 3.14Å; D430-T433 WeakPolarHBondContact O-CA 3.41Å; D430-T433 VanDerWaalsContact O-CB 3.29Å; D430-T433 WeakPolarHBondContact O-CB 3.39Å; D430-T433 PolarHBondContact O-N 2.9Å; D430-Q434 WeakPolarHBondContact O-CG 2.97Å; D430-Q434 PolarHBondContact O-N 2.69Å
431Y56.9Low69.3Low98 Ų9880.2 Ų80.238%0.38439%0.391SS..Hα-helixtrans-53.5-37.7-176.8177-98.4000112.7Q434 L435 W505Y431-Q434 PolarHBondContact O-N 2.74Å; Y431-L435 HydrophobicContact CD1-CD1 3.88Å; Y431-L435 HydrophobicContact CE1-CD1 3.3Å; Y431-L435 HydrophobicContact CE1-CG 4.39Å; Y431-L435 HydrophobicContact CE2-CD1 4.42Å; Y431-L435 PolarHBondContact O-N 2.84Å; Y431-L435 VanDerWaalsContact O-N 3.11Å; Y431-W505 HydrophobicContact CD2-CB 4.45Å; Y431-W505 HydrophobicContact CE2-CB 4.04Å
432F54.9Low68.3Low133 Ų13381.4 Ų81.458%0.58340%0.396SS*.Hα-helixtrans-74.1-37.1177.6-73.1-80.9000113.1D430 Q434 L435 I436D430-F432 PolarHBondContact O-N 2.85Å; D430-F432 VanDerWaalsContact O-N 3.14Å; F432-Q434 PolarHBondContact O-N 2.96Å; F432-L435 PolarHBondContact O-N 2.87Å; F432-I436 WeakPolarHBondContact O-CB 3.44Å; F432-I436 WeakPolarHBondContact O-CG1 3.24Å; F432-I436 PolarHBondContact O-N 3.12Å
433T54.3Low67.5Low62 Ų6285.7 Ų85.738%0.3841%0.412SS..Hα-helixtrans-59.3-38.4173.5-62.50000109.5D430 L437D430-T433 WeakPolarHBondContact O-CA 3.41Å; D430-T433 VanDerWaalsContact O-CB 3.29Å; D430-T433 WeakPolarHBondContact O-CB 3.39Å; D430-T433 PolarHBondContact O-N 2.9Å; T433-L437 HydrophobicContact CG2-CD1 3.4Å; T433-L437 VanDerWaalsContact CG2-CD1 3.4Å; T433-L437 HydrophobicContact CG2-CG 4.32Å; T433-L437 WeakPolarHBondContact O-CB 3.37Å; T433-L437 VanDerWaalsContact O-CG 3.29Å; T433-L437 WeakPolarHBondContact O-CG 2.94Å; T433-L437 PolarHBondContact O-N 3.05Å
434Q53.7Low67Low8 Ų885.6 Ų85.64%0.03742%0.415CS..Hα-helixtrans-72.1-45.2178.6-63.2-166.8-16.500113.4E427 D429 D430 Y431 F432 I436 L438E427-Q434 VanDerWaalsContact CD-NE2 3.34Å; E427-Q434 PolarHBondContact OE2-NE2 2.92Å; D429-Q434 HydrophobicContact CB-CG 3.95Å; D430-Q434 WeakPolarHBondContact O-CG 2.97Å; D430-Q434 PolarHBondContact O-N 2.69Å; Y431-Q434 PolarHBondContact O-N 2.74Å; F432-Q434 PolarHBondContact O-N 2.96Å; Q434-I436 PolarHBondContact O-N 2.93Å; Q434-L438 HydrophobicContact CB-CD1 3.9Å; Q434-L438 HydrophobicContact CB-CG 4.41Å; Q434-L438 VanDerWaalsContact O-CB 3.26Å; Q434-L438 WeakPolarHBondContact O-CB 3.36Å; Q434-L438 VanDerWaalsContact O-CD1 3.25Å; Q434-L438 WeakPolarHBondContact O-CD1 3.4Å; Q434-L438 WeakPolarHBondContact O-CG 3.46Å; Q434-L438 PolarHBondContact O-N 2.02Å
435L55.6Low66.2Low97 Ų9790.3 Ų90.351%0.50844%0.438SS..Hα-helixtrans-62.5-29.5177.6-79.2167.3000113.6Y431 F432Y431-L435 HydrophobicContact CD1-CD1 3.88Å; Y431-L435 HydrophobicContact CE1-CD1 3.3Å; Y431-L435 HydrophobicContact CE1-CG 4.39Å; Y431-L435 HydrophobicContact CE2-CD1 4.42Å; Y431-L435 PolarHBondContact O-N 2.84Å; Y431-L435 VanDerWaalsContact O-N 3.11Å; F432-L435 PolarHBondContact O-N 2.87Å
436I51.7Low65.8Low135 Ų13590.2 Ų90.269%0.69245%0.449SS*.Hα-helixtrans-98.7-30.9-174-60.3170.1000112.5F432 Q434F432-I436 WeakPolarHBondContact O-CB 3.44Å; F432-I436 WeakPolarHBondContact O-CG1 3.24Å; F432-I436 PolarHBondContact O-N 3.12Å; Q434-I436 PolarHBondContact O-N 2.93Å
437L50.8Low65.4Low87 Ų8787.5 Ų87.546%0.45545%0.446SS..Hα-helixtrans-104.2-9.9-173.9-58.8177.1000114.9T433 E439T433-L437 HydrophobicContact CG2-CD1 3.4Å; T433-L437 VanDerWaalsContact CG2-CD1 3.4Å; T433-L437 HydrophobicContact CG2-CG 4.32Å; T433-L437 WeakPolarHBondContact O-CB 3.37Å; T433-L437 VanDerWaalsContact O-CG 3.29Å; T433-L437 WeakPolarHBondContact O-CG 2.94Å; T433-L437 PolarHBondContact O-N 3.05Å; L437-E439 PolarHBondContact O-N 2.86Å
438L53.4Low65.2Low77 Ų7788.6 Ų88.640%0.40346%0.457SS..  trans-74.199.7175.2-70.1170.3000108.5Q434 E440Q434-L438 HydrophobicContact CB-CD1 3.9Å; Q434-L438 HydrophobicContact CB-CG 4.41Å; Q434-L438 VanDerWaalsContact O-CB 3.26Å; Q434-L438 WeakPolarHBondContact O-CB 3.36Å; Q434-L438 VanDerWaalsContact O-CD1 3.25Å; Q434-L438 WeakPolarHBondContact O-CD1 3.4Å; Q434-L438 WeakPolarHBondContact O-CG 3.46Å; Q434-L438 PolarHBondContact O-N 2.02Å; L438-E440 PolarHBondContact O-N 2.7Å
439E50.5Low65.4Low179 Ų17985.8 Ų85.884%0.83646%0.463SS*.  trans-39.3126.4146.9-67.2179.1168.600106.9L437 P441L437-E439 PolarHBondContact O-N 2.86Å; E439-P441 WeakPolarHBondContact O-CD 3.37Å
440E57.3Low66.2Low116 Ų11685.6 Ų85.654%0.54246%0.462SS..  trans-52.2110.4176.4-73.4-17317700107.3L438 R443L438-E440 PolarHBondContact O-N 2.7Å; E440-R443 IonicContact OE1-NH2 3.5Å; E440-R443 PolarHBondContact OE1-NH2 2.88Å; E440-R443 IonicContact OE2-CZ 2.75Å; E440-R443 IonicContact OE2-NE 3.67Å; E440-R443 PolarHBondContact OE2-NE 2.91Å; E440-R443 IonicContact OE2-NH2 3.91Å; E440-R443 PolarHBondContact OE2-NH2 2.8Å
441P63.5Low67.6Low70 Ų7082 Ų8246%0.45545%0.445SS..  trans-60.7152-173.922.6-31.2000108.1E439 R443E439-P441 WeakPolarHBondContact O-CD 3.37Å; P441-R443 PolarHBondContact O-N 2.73Å
442N73.5Confident69.3Low51 Ų5182.5 Ų82.527%0.27345%0.451SS..  trans-46.7108.4175.2178.3-26.7000109.7C323 T324 C444 Q445C323-N442 VanDerWaalsContact CB-OD1 3.31Å; C323-N442 WeakPolarHBondContact CB-OD1 3.48Å; C323-N442 CarbonylContact O-C 3.57Å; C323-N442 WeakPolarHBondContact O-CA 3.39Å; T324-N442 HydrophobicContact CG2-CB 4.07Å; N442-C444 PolarHBondContact O-N 3.18Å; N442-C444 WeakPolarHBondContact OD1-CA 3.38Å; N442-C444 VanDerWaalsContact OD1-CB 3.3Å; N442-C444 WeakPolarHBondContact OD1-CB 3.37Å; N442-C444 PolarHBondContact OD1-N 2.96Å; N442-Q445 HydrophobicContact CB-CB 4.12Å; N442-Q445 WeakPolarHBondContact O-CB 3.33Å; N442-Q445 PolarHBondContact O-N 3.42Å; N442-Q445 PolarHBondContact OD1-N 3.47Å
443R78.3Confident71.3Confident91 Ų9180.7 Ų80.734%0.34345%0.447SS..THydrogen-bonded Turntrans-67.1-21.2-173.4-61.1-176.6178.9-148.14112.4Y321 C323 E440 P441 Q445Y321-R443 HydrophobicContact CE2-CB 4.19Å; Y321-R443 PolarHBondContact OH-O 2.91Å; C323-R443 PolarHBondContact O-N 2.99Å; E440-R443 IonicContact OE1-NH2 3.5Å; E440-R443 PolarHBondContact OE1-NH2 2.88Å; E440-R443 IonicContact OE2-CZ 2.75Å; E440-R443 IonicContact OE2-NE 3.67Å; E440-R443 PolarHBondContact OE2-NE 2.91Å; E440-R443 IonicContact OE2-NH2 3.91Å; E440-R443 PolarHBondContact OE2-NH2 2.8Å; P441-R443 PolarHBondContact O-N 2.73Å; R443-Q445 VanDerWaalsContact C-N 3.33Å
444C85.5Confident73.2Confident28 Ų2879.4 Ų79.419%0.18944%0.439CS..THydrogen-bonded Turntrans-83.3-11.8175.3-60.60000112.9C323 N442C323-C444 WeakPolarHBondContact CA-SG 3.34Å; C323-C444 HydrophobicContact CB-CB 3.63Å; C323-C444 WeakPolarHBondContact CB-SG 3.33Å; C323-C444 WeakPolarHBondContact SG-CB 3.44Å; C323-C444 CovalentContact SG-SG 2.03Å; C323-C444 PolarHBondContact SG-SG 2.85Å; N442-C444 PolarHBondContact O-N 3.18Å; N442-C444 WeakPolarHBondContact OD1-CA 3.38Å; N442-C444 VanDerWaalsContact OD1-CB 3.3Å; N442-C444 WeakPolarHBondContact OD1-CB 3.37Å; N442-C444 PolarHBondContact OD1-N 2.96Å
445Q78.4Confident75Confident126 Ų12680.3 Ų80.359%0.58944%0.442SS*.SBendtrans-73.2131.1172.3-165.7169.1-100108N442 R443N442-Q445 HydrophobicContact CB-CB 4.12Å; N442-Q445 WeakPolarHBondContact O-CB 3.33Å; N442-Q445 PolarHBondContact O-N 3.42Å; N442-Q445 PolarHBondContact OD1-N 3.47Å; R443-Q445 VanDerWaalsContact C-N 3.33Å
446G81.9Confident76.9Confident38 Ų3878.7 Ų78.739%0.39244%0.439SS..  trans-69.5-159.5175.500000112.4A448 Y490G446-A448 PolarHBondContact O-N 3.34Å; G446-Y490 PolarHBondContact O-OH 3.08Å
447P82.5Confident78.8Confident55 Ų5579.5 Ų79.536%0.35743%0.433SS..SBendtrans-54.6142178.626.8-36.8000111.3F423 Y490F423-P447 HydrophobicContact CB-CB 4.42Å; F423-P447 HydrophobicContact CD1-CB 3.69Å; F423-P447 HydrophobicContact CD1-CG 4.13Å; F423-P447 HydrophobicContact CD2-CB 3.94Å; F423-P447 HydrophobicContact CD2-CG 4.36Å; F423-P447 HydrophobicContact CE1-CB 3.84Å; F423-P447 HydrophobicContact CE1-CG 3.72Å; F423-P447 HydrophobicContact CE2-CB 4.07Å; F423-P447 HydrophobicContact CE2-CG 3.97Å; F423-P447 HydrophobicContact CG-CB 3.75Å; F423-P447 HydrophobicContact CG-CG 4.43Å; F423-P447 HydrophobicContact CZ-CB 4.03Å; F423-P447 HydrophobicContact CZ-CG 3.64Å; P447-Y490 HydrophobicContact CB-CE2 4.16Å
448A81.2Confident80.6Confident35 Ų3582 Ų8229%0.28944%0.437SS..  trans-63.3151.3177.300000110.6G446 D450 S451G446-A448 PolarHBondContact O-N 3.34Å; A448-D450 WeakPolarHBondContact CB-OD1 3.32Å; A448-D450 PolarHBondContact O-N 3.07Å; A448-D450 VanDerWaalsContact O-N 3.12Å; A448-S451 PolarHBondContact N-OG 3.07Å; A448-S451 WeakPolarHBondContact O-CB 3.28Å; A448-S451 PolarHBondContact O-N 2.92Å; A448-S451 PolarHBondContact O-OG 2.93Å
449A80.4Confident82.1Confident116 Ų11679 Ų7996%0.95942%0.42SS*.THydrogen-bonded Turntrans-61.6-24.5-173.900000113.9
450D84.7Confident83.5Confident98 Ų9877.1 Ų77.152%0.52441%0.411SS..THydrogen-bonded Turntrans-88.71.8176.566.1-34.1000113.6R425 A448R425-D450 IonicContact NH1-OD2 2.88Å; R425-D450 PolarHBondContact NH1-OD2 3.46Å; A448-D450 WeakPolarHBondContact CB-OD1 3.32Å; A448-D450 PolarHBondContact O-N 3.07Å; A448-D450 VanDerWaalsContact O-N 3.12Å
451S89.9Confident84Confident21 Ų2176.8 Ų76.815%0.14741%0.409CS..PPolyproline II helixtrans-84.3133.8-178.1-57.40000112.2A448A448-S451 PolarHBondContact N-OG 3.07Å; A448-S451 WeakPolarHBondContact O-CB 3.28Å; A448-S451 PolarHBondContact O-N 2.92Å; A448-S451 PolarHBondContact O-OG 2.93Å
452E93.9Very high84Confident110 Ų11079.5 Ų79.551%0.51442%0.416SS..EExtended strand (participates in β ladder)trans-91.2128.1175.9-173.2-170.4140.600110F423 K424 V454F423-E452 CarbonylContact C-O 3.47Å; F423-E452 VanDerWaalsContact CA-O 3.27Å; F423-E452 WeakPolarHBondContact CA-O 3.09Å; K424-E452 WeakPolarHBondContact CE-OE1 3.17Å; K424-E452 WeakPolarHBondContact CE-OE2 3.42Å; K424-E452 HydrophobicContact CG-CB 4.13Å; K424-E452 PolarHBondContact N-O 2.8Å; K424-E452 VanDerWaalsContact NZ-CD 3.32Å; K424-E452 IonicContact NZ-OE1 3.54Å; K424-E452 PolarHBondContact NZ-OE1 3.22Å; K424-E452 IonicContact NZ-OE2 3.46Å; K424-E452 PolarHBondContact NZ-OE2 3.19Å; K424-E452 PolarHBondContact O-N 3.11Å; E452-V454 PolarHBondContact O-N 3.4Å
453L95.7Very high82.9Confident94 Ų9482.4 Ų82.449%0.49244%0.44SS..EExtended strand (participates in β ladder)trans-67.4118.8171.7179.868.8000109.8C421 F423 F455 C456C421-L453 HydrophobicContact CB-CD1 4.04Å; F423-L453 HydrophobicContact CD1-CB 4.09Å; F423-L453 HydrophobicContact CD1-CD1 4.07Å; F423-L453 HydrophobicContact CE1-CB 3.88Å; F423-L453 HydrophobicContact CE1-CD1 3.56Å; F423-L453 HydrophobicContact CE1-CG 4.31Å; F423-L453 HydrophobicContact CE2-CD1 4.09Å; F423-L453 HydrophobicContact CZ-CD1 3.57Å; L453-F455 WeakPolarHBondContact CD1-O 3.44Å; L453-C456 HydrophobicContact CD1-CB 4.35Å
454V94.7Very high81.4Confident36 Ų3681.6 Ų81.622%0.21846%0.46CS..EExtended strand (participates in β ladder)trans-88.1-47.3178.2-179.50000111.1L422 K424 E452 V476L422-V454 HydrophobicContact CB-CB 4.38Å; L422-V454 HydrophobicContact CD2-CB 4.05Å; L422-V454 HydrophobicContact CD2-CG1 4Å; L422-V454 HydrophobicContact CD2-CG2 4.47Å; L422-V454 HydrophobicContact CG-CB 4.11Å; L422-V454 HydrophobicContact CG-CG2 4.38Å; L422-V454 WeakPolarHBondContact O-CB 3.31Å; L422-V454 PolarHBondContact O-N 3.42Å; K424-V454 HydrophobicContact CB-CG2 3.66Å; K424-V454 HydrophobicContact CD-CG2 3.64Å; K424-V454 HydrophobicContact CG-CG2 3.5Å; E452-V454 PolarHBondContact O-N 3.4Å; V454-V476 HydrophobicContact CG1-CB 4.47Å; V454-V476 HydrophobicContact CG1-CG1 3.93Å; V454-V476 HydrophobicContact CG1-CG2 3.92Å; V454-V476 HydrophobicContact CG2-CG1 4.34Å
455F92.5Very high79.7Confident26 Ų2683.2 Ų83.211%0.11448%0.481CS..EExtended strand (participates in β ladder)trans-156.1156.5174.183.9-95.3000110W411 V420 C421 L422 L453 R457 R474 L489W411-F455 AromaticContact CH2-CE1 3.41Å; W411-F455 HydrophobicContact CH2-CE1 3.41Å; W411-F455 VanDerWaalsContact CH2-CE1 3.41Å; W411-F455 HydrophobicContact CH2-CE2 4.33Å; W411-F455 AromaticContact CH2-CZ 3.26Å; W411-F455 HydrophobicContact CH2-CZ 3.26Å; W411-F455 HydrophobicContact CZ2-CE1 4Å; W411-F455 HydrophobicContact CZ2-CE2 4.2Å; W411-F455 AromaticContact CZ2-CZ 3.34Å; W411-F455 HydrophobicContact CZ2-CZ 3.34Å; W411-F455 HydrophobicContact CZ3-CE1 4.15Å; W411-F455 HydrophobicContact CZ3-CZ 4.3Å; V420-F455 HydrophobicContact CG1-CE2 4.38Å; V420-F455 HydrophobicContact CG1-CZ 4.16Å; V420-F455 WeakPolarHBondContact O-CE2 3.38Å; C421-F455 CarbonylContact C-O 3.39Å; C421-F455 VanDerWaalsContact CA-O 3.32Å; C421-F455 WeakPolarHBondContact CA-O 3.45Å; L422-F455 HydrophobicContact CB-CD1 3.36Å; L422-F455 HydrophobicContact CB-CE1 3.12Å; L422-F455 HydrophobicContact CB-CG 4.28Å; L422-F455 HydrophobicContact CB-CZ 3.85Å; L422-F455 HydrophobicContact CD2-CD1 3.73Å; L422-F455 HydrophobicContact CD2-CE1 3.61Å; L422-F455 HydrophobicContact CG-CD1 4.16Å; L422-F455 HydrophobicContact CG-CE1 3.96Å; L422-F455 PolarHBondContact N-O 2.79Å; L422-F455 PolarHBondContact O-N 2.92Å; L453-F455 WeakPolarHBondContact CD1-O 3.44Å; F455-R457 HydrophobicContact CD2-CB 4.23Å; F455-R457 HydrophobicContact CE2-CB 4.24Å; F455-R474 HydrophobicContact CD1-CG 4Å; F455-R474 HydrophobicContact CE1-CB 4.45Å; F455-R474 HydrophobicContact CE1-CG 4.23Å; F455-L489 HydrophobicContact CE1-CD1 4.31Å; F455-L489 HydrophobicContact CZ-CD1 3.97Å
456C94Very high78.4Confident64 Ų6486.8 Ų86.843%0.43250%0.498SS..EExtended strand (participates in β ladder)trans-138.1136.1158.9-163.70000110.3V420 C421 L453V420-C456 CarbonylContact O-C 3.6Å; V420-C456 VanDerWaalsContact O-CA 3.28Å; V420-C456 WeakPolarHBondContact O-CA 3.07Å; V420-C456 PolarHBondContact O-SG 2.86Å; C421-C456 HydrophobicContact CB-CB 3.71Å; C421-C456 WeakPolarHBondContact CB-SG 3.41Å; C421-C456 WeakPolarHBondContact SG-CB 3.27Å; C421-C456 CovalentContact SG-SG 2.05Å; C421-C456 PolarHBondContact SG-SG 2.89Å; L453-C456 HydrophobicContact CD1-CB 4.35Å
457R92Very high77.1Confident151 Ų15188.3 Ų88.357%0.5751%0.514SS*.EExtended strand (participates in β ladder)trans-137.3135.3-178.4-178.7170.8178.4-174.41.1110.3S419 V420 F455 F459S419-R457 CarbonylContact C-O 3.56Å; S419-R457 WeakPolarHBondContact CA-O 3.38Å; V420-R457 PolarHBondContact N-O 3.19Å; V420-R457 PolarHBondContact O-N 3.41Å; F455-R457 HydrophobicContact CD2-CB 4.23Å; F455-R457 HydrophobicContact CE2-CB 4.24Å; R457-F459 HydrophobicContact CB-CE2 3.93Å; R457-F459 HydrophobicContact CB-CZ 4.19Å; R457-F459 HydrophobicContact CG-CD2 4.38Å; R457-F459 HydrophobicContact CG-CE1 4.33Å; R457-F459 HydrophobicContact CG-CE2 3.9Å; R457-F459 HydrophobicContact CG-CZ 3.88Å
458R89.9Confident76.2Confident141 Ų14189.7 Ų89.753%0.53253%0.53SS..EExtended strand (participates in β ladder)trans-88.6130.5169.2-167.5170.9-174.2155.5-1.1109.5
459F83.9Confident75.8Confident12 Ų1290.5 Ų90.55%0.05353%0.528CS..EExtended strand (participates in β ladder)trans-106.1133.1174-65.4-87.6000108.7E413 A417 H418 V420 R457 I472E413-F459 HydrophobicContact CG-CD1 4.36Å; E413-F459 HydrophobicContact CG-CG 4.48Å; E413-F459 WeakPolarHBondContact OE1-CB 3.37Å; E413-F459 WeakPolarHBondContact OE1-CD1 3.36Å; E413-F459 WeakPolarHBondContact OE1-CG 3.45Å; A417-F459 WeakPolarHBondContact CA-O 3.39Å; H418-F459 PolarHBondContact N-O 2.84Å; H418-F459 PolarHBondContact O-N 2.98Å; V420-F459 HydrophobicContact CB-CD2 4.41Å; V420-F459 HydrophobicContact CB-CE2 3.99Å; V420-F459 HydrophobicContact CG2-CD2 3.99Å; V420-F459 HydrophobicContact CG2-CE2 3.9Å; R457-F459 HydrophobicContact CB-CE2 3.93Å; R457-F459 HydrophobicContact CB-CZ 4.19Å; R457-F459 HydrophobicContact CG-CD2 4.38Å; R457-F459 HydrophobicContact CG-CE1 4.33Å; R457-F459 HydrophobicContact CG-CE2 3.9Å; R457-F459 HydrophobicContact CG-CZ 3.88Å; F459-I472 HydrophobicContact CD1-CD1 4.41Å; F459-I472 HydrophobicContact CE1-CD1 3.61Å; F459-I472 HydrophobicContact CE1-CG1 4.35Å; F459-I472 HydrophobicContact CE2-CD1 4.01Å; F459-I472 HydrophobicContact CZ-CD1 3.38Å; F459-I472 HydrophobicContact CZ-CG1 4.33Å
460H80.2Confident75.9Confident140 Ų14088.6 Ų88.665%0.64850%0.504SS*.  trans-94.6153.3175.3-66.4-81.5000108.9H462H460-H462 PolarHBondContact O-N 2.79Å
461H68.2Low76.2Confident109 Ų10988.4 Ų88.451%0.50550%0.501SS..  trans-51.3122.2178.5-179.6-86.3000110.7S463H461-S463 PolarHBondContact ND1-OG 3.38Å; H461-S463 VanDerWaalsContact ND1-OG 3.15Å; H461-S463 PolarHBondContact O-N 2.95Å
462H62.3Low76.2Confident128 Ų12888.4 Ų88.459%0.59350%0.499SS*.  trans-74.695.2172.4-99.589.2000108.6E413 H460 G464E413-H462 IonicContact OE1-ND1 3.08Å; H460-H462 PolarHBondContact O-N 2.79Å; H462-G464 PolarHBondContact O-N 2.78Å; H462-G464 VanDerWaalsContact O-N 3.11Å
463S50.5Low76.2Confident112 Ų11286.7 Ų86.778%0.78350%0.496SS*.THydrogen-bonded Turntrans-73.611.6176-71.40000114.5H461H461-S463 PolarHBondContact ND1-OG 3.38Å; H461-S463 VanDerWaalsContact ND1-OG 3.15Å; H461-S463 PolarHBondContact O-N 2.95Å
464G47.5Very low76.1Confident73 Ų7388.2 Ų88.275%0.75350%0.495SS*.THydrogen-bonded Turntrans-121.83.4-156.200000118.9H462H462-G464 PolarHBondContact O-N 2.78Å; H462-G464 VanDerWaalsContact O-N 3.11Å
465G50.3Low76.1Confident62 Ų6290.8 Ų90.864%0.63951%0.505SS*.SBendtrans-170.2131.5178.200000112.5G467G465-G467 PolarHBondContact O-N 2.93Å
466E49.3Very low76.3Confident201 Ų20189.8 Ų89.894%0.93950%0.501SS*.SBendtrans-50.6112.5172.9-71.8177.7139.900110.7A468E466-A468 VanDerWaalsContact C-N 3.26Å; E466-A468 PolarHBondContact O-N 3.36Å
467G55.1Low76.4Confident71 Ų7192.2 Ų92.273%0.73251%0.507SS*.SBendtrans66.3-2.4150.100000119.7G465 E469G465-G467 PolarHBondContact O-N 2.93Å; G467-E469 PolarHBondContact O-N 3.17Å
468A64.9Low76.5Confident83 Ų8388.1 Ų88.169%0.68651%0.512SS*.  trans-80.1102.1-179.300000111.2E466 V470E466-A468 VanDerWaalsContact C-N 3.26Å; E466-A468 PolarHBondContact O-N 3.36Å; A468-V470 PolarHBondContact O-N 2.96Å
469E71.4Confident76.8Confident53 Ų5381.7 Ų81.725%0.24849%0.488CS..  trans-62.8126167.8-66.6-174.6178.400109.9P390 F391 L412 G467P390-E469 VanDerWaalsContact CA-OE1 3.22Å; P390-E469 WeakPolarHBondContact CA-OE1 3.15Å; P390-E469 VanDerWaalsContact CB-OE2 3.27Å; P390-E469 WeakPolarHBondContact CB-OE2 3.29Å; F391-E469 WeakPolarHBondContact CD1-OE1 3.48Å; F391-E469 WeakPolarHBondContact CD1-OE2 3.27Å; F391-E469 WeakPolarHBondContact CE1-OE2 3.32Å; F391-E469 PolarHBondContact N-OE1 3.44Å; L412-E469 VanDerWaalsContact CD1-OE2 3.25Å; L412-E469 WeakPolarHBondContact CD1-OE2 3.27Å; G467-E469 PolarHBondContact O-N 3.17Å
470V84.1Confident77.3Confident76 Ų7688.5 Ų88.546%0.46151%0.514SS..  trans-94131.3-178.7179.90000109.5E413 A468 I472E413-V470 WeakPolarHBondContact CB-O 3.25Å; E413-V470 PolarHBondContact N-O 2.8Å; A468-V470 PolarHBondContact O-N 2.96Å; V470-I472 PolarHBondContact O-N 2.8Å
471M89.7Confident78.1Confident93 Ų9384.1 Ų84.146%0.45850%0.498SS..EExtended strand (participates in β ladder)trans-76.2112170.6-172.9174.971.200110.1L398 W411 L412 T473L398-M471 HydrophobicContact CD1-CE 4.5Å; L398-M471 HydrophobicContact CD2-CE 4.17Å; L398-M471 HydrophobicContact CD2-SD 4.13Å; W411-M471 CarbonylContact O-C 3.58Å; W411-M471 WeakPolarHBondContact O-CA 3.4Å; L412-M471 HydrophobicContact CD2-CB 4.12Å; M471-T473 HydrophobicContact CE-CG2 3.9Å; M471-T473 HydrophobicContact CG-CG2 4.35Å
472I90.6Very high79.1Confident22 Ų2281.3 Ų81.311%0.11349%0.493CS..EExtended strand (participates in β ladder)trans-80.9138.2170.4-60160.4000108.1G410 W411 E413 F459 V470G410-I472 CarbonylContact C-O 3.5Å; G410-I472 WeakPolarHBondContact CA-O 3.48Å; W411-I472 HydrophobicContact CD2-CB 4.23Å; W411-I472 HydrophobicContact CH2-CB 4.31Å; W411-I472 HydrophobicContact CH2-CG2 3.58Å; W411-I472 HydrophobicContact CZ2-CB 3.73Å; W411-I472 HydrophobicContact CZ2-CD1 4.24Å; W411-I472 HydrophobicContact CZ2-CG2 3.26Å; W411-I472 HydrophobicContact CZ3-CG2 4.35Å; W411-I472 PolarHBondContact N-O 3.21Å; W411-I472 PolarHBondContact O-N 3.03Å; E413-I472 HydrophobicContact CB-CD1 3.62Å; E413-I472 HydrophobicContact CB-CG1 4.12Å; E413-I472 HydrophobicContact CG-CD1 3.77Å; F459-I472 HydrophobicContact CD1-CD1 4.41Å; F459-I472 HydrophobicContact CE1-CD1 3.61Å; F459-I472 HydrophobicContact CE1-CG1 4.35Å; F459-I472 HydrophobicContact CE2-CD1 4.01Å; F459-I472 HydrophobicContact CZ-CD1 3.38Å; F459-I472 HydrophobicContact CZ-CG1 4.33Å; V470-I472 PolarHBondContact O-N 2.8Å
473T92.9Very high80.6Confident73 Ų7376.5 Ų76.545%0.44847%0.472SS..EExtended strand (participates in β ladder)trans-122.6145.2176.466.90000111.3L398 L409 M471L398-T473 HydrophobicContact CD1-CG2 3.59Å; L409-T473 CarbonylContact O-C 3.56Å; L409-T473 VanDerWaalsContact O-CA 3.29Å; L409-T473 WeakPolarHBondContact O-CA 3.38Å; M471-T473 HydrophobicContact CE-CG2 3.9Å; M471-T473 HydrophobicContact CG-CG2 4.35Å
474R94.3Very high82.5Confident126 Ų12672.1 Ų72.148%0.47544%0.44SS..EExtended strand (participates in β ladder)trans-145.4130.2177.6-169.368.1179.8-176.7-0.2111.4R408 L409 W411 F455R408-R474 CarbonylContact C-O 3.58Å; R408-R474 WeakPolarHBondContact CA-O 3.05Å; L409-R474 PolarHBondContact N-O 3.38Å; L409-R474 PolarHBondContact O-N 3.39Å; W411-R474 HydrophobicContact CH2-CB 3.89Å; W411-R474 HydrophobicContact CZ3-CB 3.84Å; F455-R474 HydrophobicContact CD1-CG 4Å; F455-R474 HydrophobicContact CE1-CB 4.45Å; F455-R474 HydrophobicContact CE1-CG 4.23Å
475E95.6Very high84.6Confident91 Ų9169.4 Ų69.443%0.42541%0.407SS..EExtended strand (participates in β ladder)trans-91.6125.4168.8-165.5173.7-170.600110.6S406 R408 M477S406-E475 VanDerWaalsContact CB-OE1 3.29Å; S406-E475 WeakPolarHBondContact CB-OE1 3.29Å; S406-E475 PolarHBondContact OG-OE1 2.81Å; R408-E475 HydrophobicContact CB-CG 4.43Å; R408-E475 HydrophobicContact CG-CB 4.46Å; E475-M477 HydrophobicContact CG-CG 4.47Å; E475-M477 HydrophobicContact CG-SD 3.58Å; E475-M477 VanDerWaalsContact CG-SD 3.58Å; E475-M477 VanDerWaalsContact OE1-SD 3.34Å
476V96.8Very high86.6Confident4 Ų467.9 Ų67.92%0.02438%0.382CS..EExtended strand (participates in β ladder)trans-99.6113.1173.2-171.20000108.4S406 V407 L409 L422 K424 V454 L479 F487S406-V476 WeakPolarHBondContact CA-O 2.99Å; S406-V476 WeakPolarHBondContact CB-O 3.4Å; V407-V476 HydrophobicContact CG1-CB 4.14Å; V407-V476 HydrophobicContact CG1-CG2 4.45Å; V407-V476 PolarHBondContact N-O 2.99Å; V407-V476 PolarHBondContact O-N 2.99Å; L409-V476 HydrophobicContact CD1-CG2 4.21Å; L422-V476 HydrophobicContact CD2-CG2 3.94Å; K424-V476 HydrophobicContact CD-CG1 4.02Å; V454-V476 HydrophobicContact CG1-CB 4.47Å; V454-V476 HydrophobicContact CG1-CG1 3.93Å; V454-V476 HydrophobicContact CG1-CG2 3.92Å; V454-V476 HydrophobicContact CG2-CG1 4.34Å; V476-L479 HydrophobicContact CG1-CD2 4.32Å; V476-F487 HydrophobicContact CB-CE1 4.22Å; V476-F487 HydrophobicContact CG1-CE1 4.05Å; V476-F487 HydrophobicContact CG2-CE1 4.03Å
477M95.6Very high88.7Confident116 Ų11658.3 Ų58.357%0.57134%0.338SS*.  trans-95.8171.1-178.3-56.9-60.5-79.300111.8S406 E475S406-M477 WeakPolarHBondContact CB-SD 3.48Å; E475-M477 HydrophobicContact CG-CG 4.47Å; E475-M477 HydrophobicContact CG-SD 3.58Å; E475-M477 VanDerWaalsContact CG-SD 3.58Å; E475-M477 VanDerWaalsContact OE1-SD 3.34Å
478G94.1Very high90.4Very high65 Ų6555.1 Ų55.167%0.6730%0.304SS*.  trans78.419.417100000114.5R405R405-G478 PolarHBondContact O-N 3.01Å; R405-G478 VanDerWaalsContact O-N 3.08Å
479L96Very high91.8Very high5 Ų551.2 Ų51.23%0.02627%0.271CS..PPolyproline II helixtrans-77.6157.7175.1-52.3-178.4000110.9R405 V407 K424 V476 Y485 F487 T508R405-L479 WeakPolarHBondContact CA-O 3.46Å; R405-L479 PolarHBondContact O-N 2.88Å; V407-L479 HydrophobicContact CB-CD1 4.2Å; V407-L479 HydrophobicContact CG1-CD1 3.85Å; K424-L479 HydrophobicContact CD-CD2 4.31Å; V476-L479 HydrophobicContact CG1-CD2 4.32Å; L479-Y485 HydrophobicContact CB-CD2 4.48Å; L479-Y485 HydrophobicContact CB-CE2 3.85Å; L479-Y485 HydrophobicContact CD1-CD2 4.32Å; L479-Y485 HydrophobicContact CD1-CE2 4.49Å; L479-Y485 HydrophobicContact CD2-CD1 4.04Å; L479-Y485 HydrophobicContact CD2-CD2 4.31Å; L479-Y485 HydrophobicContact CD2-CE1 3.85Å; L479-Y485 HydrophobicContact CD2-CE2 4.14Å; L479-Y485 HydrophobicContact CD2-CG 4.26Å; L479-Y485 HydrophobicContact CG-CE2 4.38Å; L479-F487 HydrophobicContact CD1-CZ 4.21Å; L479-T508 HydrophobicContact CB-CG2 3.77Å; L479-T508 HydrophobicContact CD1-CG2 3.84Å; L479-T508 HydrophobicContact CG-CG2 4.48Å
480R94.8Very high92.9Very high156 Ų15649.7 Ų49.759%0.58926%0.263SS*.PPolyproline II helixtrans-93.6143.5176.1-65.2-174.1-179.3-176.10.8110.5C404 Y485 T508C404-R480 CarbonylContact O-C 3.47Å; R480-Y485 PolarHBondContact N-OH 2.78Å; R480-T508 WeakPolarHBondContact O-CB 3.41Å; R480-T508 PolarHBondContact O-OG1 2.71Å
481P95.2Very high93.3Very high48 Ų4846.1 Ų46.131%0.31224%0.242SC..THydrogen-bonded Turntrans-60.6152.9175.5-23.133.1000113C404 N483 K509C404-P481 HydrophobicContact CB-CB 4.23Å; C404-P481 HydrophobicContact CB-CG 4.13Å; C404-P481 VanDerWaalsContact O-CA 3.28Å; C404-P481 WeakPolarHBondContact O-CA 3.12Å; P481-N483 PolarHBondContact O-N 3.14Å; P481-N483 VanDerWaalsContact O-N 3.15Å; P481-N483 PolarHBondContact O-ND2 2.66Å; P481-K509 WeakPolarHBondContact CA-O 3.38Å; P481-K509 WeakPolarHBondContact CB-O 3.46Å
482A91.1Very high93.5Very high49 Ų4942.9 Ų42.941%0.40523%0.228SC..THydrogen-bonded Turntrans54.826.6177.400000115.9T508 K509 Q510A482-T508 PolarHBondContact N-OG1 3.47Å; A482-T508 VanDerWaalsContact N-OG1 3.13Å; A482-K509 PolarHBondContact N-O 3.23Å; A482-Q510 HydrophobicContact CB-CB 4.46Å; A482-Q510 HydrophobicContact CB-CG 4.36Å
483N91.9Very high93.6Very high28 Ų2844.4 Ų44.415%0.1523%0.234CC..  trans-116.5144.7-177.9-80.9-79.6000111.9R426 P481 Y485 K507 T508R426-N483 PolarHBondContact NE-OD1 3.32Å; R426-N483 PolarHBondContact NH2-OD1 2.93Å; P481-N483 PolarHBondContact O-N 3.14Å; P481-N483 VanDerWaalsContact O-N 3.15Å; P481-N483 PolarHBondContact O-ND2 2.66Å; N483-Y485 HydrophobicContact CB-CD2 4.35Å; N483-Y485 HydrophobicContact CB-CE2 3.65Å; N483-K507 CarbonylContact O-C 3.48Å; N483-K507 WeakPolarHBondContact O-CA 2.87Å; N483-T508 PolarHBondContact N-OG1 2.8Å; N483-T508 PolarHBondContact O-N 3.38Å; N483-T508 PolarHBondContact O-OG1 2.89Å
484T91.5Very high93.3Very high19 Ų1943 Ų4312%0.11723%0.226CC..EExtended strand (participates in β ladder)trans-90.8131.7174.2-54.90000109.7E427 V506E427-T484 HydrophobicContact CB-CG2 4.19Å; E427-T484 HydrophobicContact CG-CG2 4.48Å; E427-T484 PolarHBondContact N-O 2.91Å; T484-V506 CarbonylContact C-O 3.07Å; T484-V506 WeakPolarHBondContact CA-O 3.45Å
485Y92.2Very high92.9Very high17 Ų1745.6 Ų45.67%0.06725%0.25CC..EExtended strand (participates in β ladder)trans-122.4142.9175.7-69.1-89.9000109.3R425 R426 L479 R480 N483 W505 V506 T508R425-Y485 CarbonylContact O-C 3.58Å; R425-Y485 VanDerWaalsContact O-CA 3.29Å; R425-Y485 WeakPolarHBondContact O-CA 3.22Å; R426-Y485 HydrophobicContact CB-CD1 4.16Å; R426-Y485 HydrophobicContact CB-CE1 3.92Å; R426-Y485 HydrophobicContact CG-CE1 4.27Å; L479-Y485 HydrophobicContact CB-CD2 4.48Å; L479-Y485 HydrophobicContact CB-CE2 3.85Å; L479-Y485 HydrophobicContact CD1-CD2 4.32Å; L479-Y485 HydrophobicContact CD1-CE2 4.49Å; L479-Y485 HydrophobicContact CD2-CD1 4.04Å; L479-Y485 HydrophobicContact CD2-CD2 4.31Å; L479-Y485 HydrophobicContact CD2-CE1 3.85Å; L479-Y485 HydrophobicContact CD2-CE2 4.14Å; L479-Y485 HydrophobicContact CD2-CG 4.26Å; L479-Y485 HydrophobicContact CG-CE2 4.38Å; R480-Y485 PolarHBondContact N-OH 2.78Å; N483-Y485 HydrophobicContact CB-CD2 4.35Å; N483-Y485 HydrophobicContact CB-CE2 3.65Å; Y485-W505 CarbonylContact O-C 3.56Å; Y485-W505 WeakPolarHBondContact O-CA 3.46Å; Y485-V506 PolarHBondContact N-O 2.87Å; Y485-V506 PolarHBondContact O-N 3.17Å; Y485-T508 HydrophobicContact CD2-CG2 4.05Å; Y485-T508 HydrophobicContact CE2-CG2 3.97Å
486R90.8Very high92.7Very high30 Ų3042.9 Ų42.911%0.11325%0.245CC..EExtended strand (participates in β ladder)trans-104.2136.4168.7173.6174.5156.3163.317.1108.9K424 R425 E427 D488 T503K424-R486 CarbonylContact C-O 3.57Å; K424-R486 WeakPolarHBondContact CA-O 3.48Å; R425-R486 HydrophobicContact CG-CB 3.94Å; R425-R486 HydrophobicContact CG-CG 4.49Å; R425-R486 PolarHBondContact N-O 3.38Å; R425-R486 PolarHBondContact O-N 3.41Å; E427-R486 HydrophobicContact CG-CB 3.98Å; E427-R486 VanDerWaalsContact OE1-CB 3.29Å; E427-R486 WeakPolarHBondContact OE1-CB 3.28Å; E427-R486 WeakPolarHBondContact OE1-CD 3.18Å; R486-D488 IonicContact CZ-OD1 3.64Å; R486-D488 IonicContact CZ-OD2 2.96Å; R486-D488 IonicContact NE-OD1 2.95Å; R486-D488 PolarHBondContact NE-OD1 2.99Å; R486-D488 VanDerWaalsContact NE-OD1 3.09Å; R486-D488 IonicContact NE-OD2 2.7Å; R486-D488 PolarHBondContact NE-OD2 2.84Å; R486-D488 IonicContact NH2-OD1 3.89Å; R486-D488 PolarHBondContact NH2-OD1 2.79Å; R486-D488 IonicContact NH2-OD2 3.6Å; R486-T503 HydrophobicContact CG-CG2 3.48Å; R486-T503 VanDerWaalsContact CG-CG2 3.48Å
487F93.3Very high92.5Very high0 Ų045 Ų450%026%0.255CS..EExtended strand (participates in β ladder)trans-121.7128.5176.3-63.5-85.6000110L395 V407 L409 L422 F423 K424 V476 L479 V504 V506L395-F487 HydrophobicContact CD2-CB 3.92Å; V407-F487 HydrophobicContact CG1-CE1 4.22Å; V407-F487 HydrophobicContact CG1-CE2 3.71Å; V407-F487 HydrophobicContact CG1-CZ 3.47Å; V407-F487 VanDerWaalsContact CG1-CZ 3.47Å; L409-F487 HydrophobicContact CD1-CB 4.02Å; L409-F487 HydrophobicContact CD1-CD1 3.78Å; L409-F487 HydrophobicContact CD1-CD2 4.27Å; L409-F487 HydrophobicContact CD1-CE1 4.31Å; L409-F487 HydrophobicContact CD1-CG 3.76Å; L422-F487 HydrophobicContact CD1-CB 4.21Å; L422-F487 HydrophobicContact CD1-CD1 4.45Å; F423-F487 WeakPolarHBondContact O-CA 3.49Å; K424-F487 HydrophobicContact CB-CD1 3.61Å; K424-F487 HydrophobicContact CB-CE1 3.43Å; K424-F487 VanDerWaalsContact CB-CE1 3.43Å; K424-F487 HydrophobicContact CB-CZ 4.32Å; V476-F487 HydrophobicContact CB-CE1 4.22Å; V476-F487 HydrophobicContact CG1-CE1 4.05Å; V476-F487 HydrophobicContact CG2-CE1 4.03Å; L479-F487 HydrophobicContact CD1-CZ 4.21Å; F487-V504 HydrophobicContact CB-CG1 3.92Å; F487-V504 HydrophobicContact CD2-CG1 4.34Å; F487-V504 PolarHBondContact N-O 3.02Å; F487-V504 PolarHBondContact O-N 2.81Å; F487-V504 VanDerWaalsContact O-N 3.12Å; F487-V506 HydrophobicContact CD2-CG2 4Å; F487-V506 HydrophobicContact CE2-CB 4.17Å; F487-V506 HydrophobicContact CE2-CG2 4.01Å
488D92.5Very high92.4Very high4 Ų442.1 Ų42.12%0.02124%0.244CC..EExtended strand (participates in β ladder)trans-122.9128.7179.1-61.4-73.1000108.8F423 R486 Y490 T503F423-D488 PolarHBondContact N-O 2.99Å; F423-D488 PolarHBondContact O-N 2.9Å; F423-D488 VanDerWaalsContact O-N 3.1Å; R486-D488 IonicContact CZ-OD1 3.64Å; R486-D488 IonicContact CZ-OD2 2.96Å; R486-D488 IonicContact NE-OD1 2.95Å; R486-D488 PolarHBondContact NE-OD1 2.99Å; R486-D488 VanDerWaalsContact NE-OD1 3.09Å; R486-D488 IonicContact NE-OD2 2.7Å; R486-D488 PolarHBondContact NE-OD2 2.84Å; R486-D488 IonicContact NH2-OD1 3.89Å; R486-D488 PolarHBondContact NH2-OD1 2.79Å; R486-D488 IonicContact NH2-OD2 3.6Å; D488-Y490 HydrophobicContact CB-CD2 4.45Å; D488-Y490 HydrophobicContact CB-CE2 3.65Å; D488-T503 WeakPolarHBondContact OD1-CB 3.13Å; D488-T503 WeakPolarHBondContact OD1-CG2 3.46Å; D488-T503 PolarHBondContact OD1-OG1 3.47Å
489L93.9Very high92.3Very high1 Ų139.4 Ų39.41%0.00521%0.214CC..EExtended strand (participates in β ladder)trans-116.8131.1-179.5-174.280.7000108.8L395 W411 V420 L422 F455 Y501L395-L489 HydrophobicContact CD1-CD2 4.32Å; L395-L489 HydrophobicContact CD2-CB 4.12Å; W411-L489 HydrophobicContact CB-CD2 3.89Å; W411-L489 HydrophobicContact CD2-CD1 4.49Å; W411-L489 HydrophobicContact CD2-CD2 3.56Å; W411-L489 HydrophobicContact CE3-CD2 4.22Å; W411-L489 HydrophobicContact CG-CD2 3.36Å; W411-L489 HydrophobicContact CZ2-CD1 4.45Å; V420-L489 HydrophobicContact CG1-CD1 3.27Å; V420-L489 HydrophobicContact CG1-CD2 3.98Å; V420-L489 HydrophobicContact CG1-CG 3.61Å; L422-L489 HydrophobicContact CB-CD1 3.72Å; L422-L489 HydrophobicContact CD1-CB 4.27Å; L422-L489 HydrophobicContact CD1-CD1 4Å; L422-L489 HydrophobicContact CG-CD1 4.44Å; F455-L489 HydrophobicContact CE1-CD1 4.31Å; F455-L489 HydrophobicContact CZ-CD1 3.97Å; L489-Y501 HydrophobicContact CB-CD2 4.42Å; L489-Y501 HydrophobicContact CB-CG 4.33Å; L489-Y501 HydrophobicContact CD2-CD1 3.91Å; L489-Y501 HydrophobicContact CD2-CD2 3.8Å; L489-Y501 HydrophobicContact CD2-CE1 4.19Å; L489-Y501 HydrophobicContact CD2-CE2 4.07Å; L489-Y501 HydrophobicContact CD2-CG 3.74Å; L489-Y501 HydrophobicContact CG-CD2 4.1Å; L489-Y501 HydrophobicContact CG-CG 4.31Å; L489-Y501 PolarHBondContact O-N 3.17Å
490Y93.7Very high92.1Very high21 Ų2141.1 Ų41.18%0.08223%0.226CC..EExtended strand (participates in β ladder)trans-124.3129.7-176.9-67.2-87.1000110.5V420 C421 F423 G446 P447 D488 T498 L499 P500V420-Y490 CarbonylContact C-O 3.57Å; V420-Y490 VanDerWaalsContact CA-O 3.28Å; V420-Y490 WeakPolarHBondContact CA-O 3.24Å; C421-Y490 PolarHBondContact N-O 3.19Å; C421-Y490 PolarHBondContact O-N 2.75Å; F423-Y490 AromaticContact CD2-CD2 3.74Å; F423-Y490 HydrophobicContact CD2-CD2 3.74Å; F423-Y490 HydrophobicContact CD2-CE2 4.04Å; F423-Y490 AromaticContact CE2-CD2 3.87Å; F423-Y490 HydrophobicContact CE2-CD2 3.87Å; F423-Y490 HydrophobicContact CE2-CE2 4.42Å; G446-Y490 PolarHBondContact O-OH 3.08Å; P447-Y490 HydrophobicContact CB-CE2 4.16Å; D488-Y490 HydrophobicContact CB-CD2 4.45Å; D488-Y490 HydrophobicContact CB-CE2 3.65Å; Y490-T498 HydrophobicContact CD1-CG2 3.84Å; Y490-T498 HydrophobicContact CG-CG2 4.11Å; Y490-L499 WeakPolarHBondContact CA-O 3.24Å; Y490-P500 HydrophobicContact CD1-CB 3.95Å; Y490-P500 HydrophobicContact CE1-CB 3.79Å
491A93.3Very high92Very high0 Ų034 Ų340%020%0.199CC..EExtended strand (participates in β ladder)trans-99.5135.716900000110.2P387 M389 S419 T498 L499 Y501P387-A491 HydrophobicContact CG-CB 4.17Å; M389-A491 HydrophobicContact CE-CB 4.44Å; M389-A491 HydrophobicContact SD-CB 3.99Å; S419-A491 CarbonylContact O-C 3.4Å; S419-A491 VanDerWaalsContact O-CA 3.31Å; S419-A491 WeakPolarHBondContact O-CA 3.46Å; A491-T498 CarbonylContact O-C 3.54Å; A491-T498 VanDerWaalsContact O-CA 3.25Å; A491-T498 WeakPolarHBondContact O-CA 3.42Å; A491-T498 WeakPolarHBondContact O-CG2 3.29Å; A491-L499 PolarHBondContact N-O 3.2Å; A491-L499 PolarHBondContact O-N 2.77Å; A491-Y501 HydrophobicContact CB-CE2 3.88Å
492S93.3Very high91.7Very high25 Ų2539.4 Ų39.418%0.17521%0.213CC..EExtended strand (participates in β ladder)trans-126.5132.8-179.4-53.20000110.6H418 S419 E497 T498H418-S492 WeakPolarHBondContact CA-O 3.27Å; S419-S492 PolarHBondContact N-O 2.9Å; S419-S492 PolarHBondContact O-N 3.13Å; S492-E497 WeakPolarHBondContact CA-O 3.32Å; S492-T498 WeakPolarHBondContact OG-CG2 3.15Å; S492-T498 PolarHBondContact OG-OG1 3.08Å
493K91.8Very high91.5Very high54 Ų5439 Ų3924%0.23521%0.205CC..  trans-74.1140.4169-175.4173.1177.6172.40109.2Y384 P387 N495 G496 E497Y384-K493 PolarHBondContact O-NZ 3Å; P387-K493 HydrophobicContact CB-CB 4.2Å; K493-N495 PolarHBondContact O-N 2.93Å; K493-G496 PolarHBondContact O-N 3.24Å; K493-E497 PolarHBondContact N-O 3.33Å
494P87.7Confident91.5Very high43 Ų4338.8 Ų38.828%0.27921%0.205SC..THydrogen-bonded Turntrans-54.4123.4171.7-25.935.4000111A417 G496A417-P494 WeakPolarHBondContact O-CD 3.26Å; P494-G496 PolarHBondContact O-N 3.1Å
495N86.2Confident91.4Very high182 Ų18241.6 Ų41.697%0.97321%0.214SC*.THydrogen-bonded Turntrans56.224.6-176-51.6-25.9000114.4K493K493-N495 PolarHBondContact O-N 2.93Å
496G91.1Very high91.3Very high33 Ų3341.1 Ų41.134%0.3421%0.213SC..SBendtrans-128.4-156.1179.600000111.8P385 K493 P494P385-G496 WeakPolarHBondContact O-CA 3.33Å; K493-G496 PolarHBondContact O-N 3.24Å; P494-G496 PolarHBondContact O-N 3.1Å
497E92.7Very high91.4Very high49 Ų4945.5 Ų45.523%0.22923%0.233CC..  trans-87.8165.9-176.8-72.2-66.913500112.7L290 K374 P385 Y386 P387 S492 K493L290-E497 HydrophobicContact CD2-CG 3.43Å; L290-E497 VanDerWaalsContact CD2-CG 3.43Å; L290-E497 WeakPolarHBondContact CD2-OE1 3.26Å; K374-E497 IonicContact NZ-OE2 3.56Å; K374-E497 PolarHBondContact NZ-OE2 3.39Å; P385-E497 HydrophobicContact CB-CG 4.12Å; P385-E497 PolarHBondContact O-N 3.39Å; Y386-E497 HydrophobicContact CD1-CB 3.37Å; Y386-E497 HydrophobicContact CD1-CG 4.18Å; Y386-E497 HydrophobicContact CE1-CB 3.37Å; Y386-E497 HydrophobicContact CE1-CG 3.77Å; Y386-E497 HydrophobicContact CG-CB 4.23Å; P387-E497 WeakPolarHBondContact CD-O 3.2Å; S492-E497 WeakPolarHBondContact CA-O 3.32Å; K493-E497 PolarHBondContact N-O 3.33Å
498T92.6Very high91.4Very high56 Ų5645.7 Ų45.734%0.34423%0.234SC..EExtended strand (participates in β ladder)trans-110.7138177.5-57.70000110Y490 A491 S492Y490-T498 HydrophobicContact CD1-CG2 3.84Å; Y490-T498 HydrophobicContact CG-CG2 4.11Å; A491-T498 CarbonylContact O-C 3.54Å; A491-T498 VanDerWaalsContact O-CA 3.25Å; A491-T498 WeakPolarHBondContact O-CA 3.42Å; A491-T498 WeakPolarHBondContact O-CG2 3.29Å; S492-T498 WeakPolarHBondContact OG-CG2 3.15Å; S492-T498 PolarHBondContact OG-OG1 3.08Å
499L92.8Very high91.4Very high8 Ų850.3 Ų50.34%0.04225%0.254CS..EExtended strand (participates in β ladder)trans-120.5138.6172.7-67.4176.8000110.8Y321 L346 Y386 P387 M389 Y490 A491Y321-L499 HydrophobicContact CD1-CD2 4.26Å; Y321-L499 HydrophobicContact CE1-CD2 3.87Å; L346-L499 HydrophobicContact CD2-CD1 3.49Å; L346-L499 VanDerWaalsContact CD2-CD1 3.49Å; L346-L499 HydrophobicContact CD2-CD2 3.89Å; L346-L499 HydrophobicContact CD2-CG 4.34Å; Y386-L499 HydrophobicContact CD1-CD1 4.14Å; Y386-L499 HydrophobicContact CD1-CD2 3.52Å; Y386-L499 HydrophobicContact CD1-CG 3.73Å; Y386-L499 HydrophobicContact CE1-CD2 3.84Å; Y386-L499 HydrophobicContact CE1-CG 4.5Å; Y386-L499 HydrophobicContact CG-CD1 4.35Å; Y386-L499 HydrophobicContact CG-CD2 4.37Å; Y386-L499 HydrophobicContact CG-CG 4.43Å; P387-L499 HydrophobicContact CG-CB 4.41Å; P387-L499 HydrophobicContact CG-CD1 4.16Å; P387-L499 HydrophobicContact CG-CG 4.31Å; M389-L499 HydrophobicContact CE-CB 4.31Å; M389-L499 HydrophobicContact CG-CD1 3.7Å; M389-L499 HydrophobicContact SD-CB 3.94Å; M389-L499 HydrophobicContact SD-CD1 3.96Å; Y490-L499 WeakPolarHBondContact CA-O 3.24Å; A491-L499 PolarHBondContact N-O 3.2Å; A491-L499 PolarHBondContact O-N 2.77Å
500P91.6Very high91.4Very high41 Ų4156.6 Ų56.627%0.26628%0.283SS..EExtended strand (participates in β ladder)trans-79.5146.3173.132.4-33.3000111.6Y321 Y490Y321-P500 VanDerWaalsContact OH-CD 3.26Å; Y321-P500 WeakPolarHBondContact OH-CD 3.29Å; Y490-P500 HydrophobicContact CD1-CB 3.95Å; Y490-P500 HydrophobicContact CE1-CB 3.79Å
501Y91.9Very high91.4Very high6 Ų662.6 Ų62.62%0.02431%0.31CS..PPolyproline II helixtrans-78.8169.6155.2-78.4-116000109.2M389 P390 T393 W411 L412 L489 A491 T503M389-Y501 HydrophobicContact CE-CD2 3.71Å; M389-Y501 HydrophobicContact CE-CE2 3.53Å; M389-Y501 HydrophobicContact CE-CG 4.36Å; P390-Y501 HydrophobicContact CG-CE1 3.97Å; T393-Y501 WeakPolarHBondContact O-CA 3.43Å; T393-Y501 VanDerWaalsContact O-CB 3.26Å; T393-Y501 WeakPolarHBondContact O-CB 3.25Å; T393-Y501 WeakPolarHBondContact O-CD1 3.38Å; W411-Y501 HydrophobicContact CB-CD1 4.29Å; W411-Y501 HydrophobicContact CB-CE1 4.11Å; W411-Y501 HydrophobicContact CG-CE1 4.42Å; L412-Y501 PolarHBondContact O-OH 2.97Å; L489-Y501 HydrophobicContact CB-CD2 4.42Å; L489-Y501 HydrophobicContact CB-CG 4.33Å; L489-Y501 HydrophobicContact CD2-CD1 3.91Å; L489-Y501 HydrophobicContact CD2-CD2 3.8Å; L489-Y501 HydrophobicContact CD2-CE1 4.19Å; L489-Y501 HydrophobicContact CD2-CE2 4.07Å; L489-Y501 HydrophobicContact CD2-CG 3.74Å; L489-Y501 HydrophobicContact CG-CD2 4.1Å; L489-Y501 HydrophobicContact CG-CG 4.31Å; L489-Y501 PolarHBondContact O-N 3.17Å; A491-Y501 HydrophobicContact CB-CE2 3.88Å; Y501-T503 PolarHBondContact O-N 3.02Å
502R89.2Confident91.1Very high161 Ų16169 Ų6961%0.60835%0.353SS*.BIsolated β-bridgetrans-64.2125.4171.9-64.1-179.5175173.7-2.4110T393 L395T393-R502 PolarHBondContact O-N 2.86Å; L395-R502 VanDerWaalsContact CB-O 3.29Å; L395-R502 WeakPolarHBondContact CB-O 3.39Å
503T88.4Confident91Very high40 Ų4071.3 Ų71.325%0.24536%0.362CS..PPolyproline II helixtrans-58.3145.5173.9-57.90000111.2R486 D488 Y501 W505R486-T503 HydrophobicContact CG-CG2 3.48Å; R486-T503 VanDerWaalsContact CG-CG2 3.48Å; D488-T503 WeakPolarHBondContact OD1-CB 3.13Å; D488-T503 WeakPolarHBondContact OD1-CG2 3.46Å; D488-T503 PolarHBondContact OD1-OG1 3.47Å; Y501-T503 PolarHBondContact O-N 3.02Å; T503-W505 HydrophobicContact CG2-CD2 4.42Å; T503-W505 HydrophobicContact CG2-CH2 4.28Å; T503-W505 HydrophobicContact CG2-CZ2 3.98Å
504V90.5Very high91Very high24 Ų2472.2 Ų72.215%0.14537%0.369CS..EExtended strand (participates in β ladder)trans-125.3140.4170.774.60000111.5L395 V397 L409 F487 V506L395-V504 HydrophobicContact CB-CB 4.42Å; L395-V504 HydrophobicContact CB-CG1 4.26Å; L395-V504 HydrophobicContact CD2-CG1 3.68Å; L395-V504 HydrophobicContact CG-CB 4.42Å; L395-V504 HydrophobicContact CG-CG1 3.73Å; L395-V504 WeakPolarHBondContact O-CB 3.41Å; V397-V504 HydrophobicContact CG2-CG2 3.97Å; L409-V504 HydrophobicContact CD2-CG1 4.08Å; F487-V504 HydrophobicContact CB-CG1 3.92Å; F487-V504 HydrophobicContact CD2-CG1 4.34Å; F487-V504 PolarHBondContact N-O 3.02Å; F487-V504 PolarHBondContact O-N 2.81Å; F487-V504 VanDerWaalsContact O-N 3.12Å; V504-V506 HydrophobicContact CG1-CG2 4.35Å; V504-V506 HydrophobicContact CG2-CG2 4.38Å
505W89.4Confident91.1Very high78 Ų7873.8 Ų73.830%0.29537%0.374SS..EExtended strand (participates in β ladder)trans-108137.4173.1-60.7-92.8000110.4Y431 Y485 T503Y431-W505 HydrophobicContact CD2-CB 4.45Å; Y431-W505 HydrophobicContact CE2-CB 4.04Å; Y485-W505 CarbonylContact O-C 3.56Å; Y485-W505 WeakPolarHBondContact O-CA 3.46Å; T503-W505 HydrophobicContact CG2-CD2 4.42Å; T503-W505 HydrophobicContact CG2-CH2 4.28Å; T503-W505 HydrophobicContact CG2-CZ2 3.98Å
506V91.2Very high91.4Very high8 Ų867.4 Ų67.45%0.04834%0.339CS..EExtended strand (participates in β ladder)trans-138.3122.9-176.6-168.10000110.1V397 R402 V407 T484 Y485 F487 V504V397-V506 HydrophobicContact CG2-CG1 4.4Å; V397-V506 HydrophobicContact CG2-CG2 3.37Å; R402-V506 HydrophobicContact CG-CG1 4.27Å; V407-V506 HydrophobicContact CB-CG1 4.43Å; V407-V506 HydrophobicContact CG2-CB 4.48Å; V407-V506 HydrophobicContact CG2-CG1 3.86Å; V407-V506 HydrophobicContact CG2-CG2 4.25Å; T484-V506 CarbonylContact C-O 3.07Å; T484-V506 WeakPolarHBondContact CA-O 3.45Å; Y485-V506 PolarHBondContact N-O 2.87Å; Y485-V506 PolarHBondContact O-N 3.17Å; F487-V506 HydrophobicContact CD2-CG2 4Å; F487-V506 HydrophobicContact CE2-CB 4.17Å; F487-V506 HydrophobicContact CE2-CG2 4.01Å; V504-V506 HydrophobicContact CG1-CG2 4.35Å; V504-V506 HydrophobicContact CG2-CG2 4.38Å
507K91.6Very high91.5Very high122 Ų12269.6 Ų69.653%0.5334%0.339SS..EExtended strand (participates in β ladder)trans-92.1117.9167.9-169.9171.3-175.5172.70110.3R402 N483R402-K507 VanDerWaalsContact CD-O 3.31Å; R402-K507 WeakPolarHBondContact CD-O 3.21Å; R402-K507 PolarHBondContact NH1-O 2.98Å; N483-K507 CarbonylContact O-C 3.48Å; N483-K507 WeakPolarHBondContact O-CA 2.87Å
508T93.5Very high91.4Very high4 Ų470.9 Ų70.93%0.02535%0.346CS..PPolyproline II helixtrans-62.4155.4176.1530000111.6L479 R480 A482 N483 Y485L479-T508 HydrophobicContact CB-CG2 3.77Å; L479-T508 HydrophobicContact CD1-CG2 3.84Å; L479-T508 HydrophobicContact CG-CG2 4.48Å; R480-T508 WeakPolarHBondContact O-CB 3.41Å; R480-T508 PolarHBondContact O-OG1 2.71Å; A482-T508 PolarHBondContact N-OG1 3.47Å; A482-T508 VanDerWaalsContact N-OG1 3.13Å; N483-T508 PolarHBondContact N-OG1 2.8Å; N483-T508 PolarHBondContact O-N 3.38Å; N483-T508 PolarHBondContact O-OG1 2.89Å; Y485-T508 HydrophobicContact CD2-CG2 4.05Å; Y485-T508 HydrophobicContact CE2-CG2 3.97Å
509K93.7Very high91.3Very high101 Ų10172 Ų7244%0.43935%0.346SS..PPolyproline II helixtrans-61.5149.2176.6-67.5-178.9174.9166.70110.7R402 T403 C404 P481 A482R402-K509 WeakPolarHBondContact O-CE 3.31Å; R402-K509 PolarHBondContact O-NZ 3.08Å; T403-K509 PolarHBondContact O-N 3.13Å; T403-K509 VanDerWaalsContact O-N 3.08Å; C404-K509 HydrophobicContact CB-CB 4.27Å; P481-K509 WeakPolarHBondContact CA-O 3.38Å; P481-K509 WeakPolarHBondContact CB-O 3.46Å; A482-K509 PolarHBondContact N-O 3.23Å
510Q93.9Very high91.2Very high132 Ų13276.9 Ų76.962%0.61737%0.37SS*.SBendtrans-69.1-37.4178.5-174.5175.32.500112.1A482A482-Q510 HydrophobicContact CB-CB 4.46Å; A482-Q510 HydrophobicContact CB-CG 4.36Å
511F93.5Very high91.1Very high147 Ų14779.9 Ų79.965%0.64538%0.378SS*.  trans-121.8143.1-176.4-53.7-73.2000111.3C404C404-F511 WeakPolarHBondContact CB-O 3.29Å
512C86.7Confident91.1Very high136 Ų13686.6 Ų86.692%0.91941%0.411SS*.  trans-91.70157.2-47.10000106.4C404C404-C512 HydrophobicContact CB-CB 4.08Å; C404-C512 WeakPolarHBondContact CB-SG 3.49Å; C404-C512 WeakPolarHBondContact SG-CA 3.48Å; C404-C512 WeakPolarHBondContact SG-CB 3.41Å; C404-C512 CovalentContact SG-SG 2.02Å; C404-C512 PolarHBondContact SG-SG 2.76Å

Retrieved 512 of 512 residues in 1493.6 ms (Link to these results)