A0A087XGS5_POEFO Loading...

EGF containing fibulin extracellular matrix protein 1

AlphaFold DB , UniProt , Accession A0A087XGS5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 456 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
1M29.4Very low34Very low248 Ų24877.8 Ų77.8100%1.22248%0.477SS*.  093.90-71.5-141.5-139.600107.9
2L24.6Very low33.5Very low173 Ų17381.8 Ų81.891%0.90648%0.482SS*.  trans-83.4110.3172.9-84.4126.5000107.3V4L2-V4 PolarHBondContact O-N 3.39Å
3G29Very low32.9Very low74 Ų7483.4 Ų83.476%0.76349%0.494SS*.  trans-68.4113.3174.900000109.9C5G3-C5 PolarHBondContact O-N 3.28Å
4V33.5Very low32.5Very low71 Ų7187.9 Ų87.943%0.4351%0.508SS..  trans-77.8107.7174.3-179.90000107.8L2 Y382L2-V4 PolarHBondContact O-N 3.39Å; V4-Y382 HydrophobicContact CG1-CE2 3.9Å; V4-Y382 WeakPolarHBondContact CG1-OH 3Å
5C34.5Very low32.2Very low72 Ų7291.5 Ų91.549%0.48653%0.531SS..  trans-79.2114.8174.8-1560000108.4G3G3-C5 PolarHBondContact O-N 3.28Å
6V39.8Very low31.8Very low11 Ų1194.1 Ų94.17%0.06754%0.541CS..  trans-92.8112.6175.8-175.50000108.1M430 T432 S443V6-M430 HydrophobicContact CG1-CE 3.92Å; V6-T432 HydrophobicContact CB-CG2 4.44Å; V6-T432 HydrophobicContact CG1-CG2 4.04Å; V6-T432 WeakPolarHBondContact CG1-OG1 3.32Å; V6-T432 HydrophobicContact CG2-CG2 4.06Å; V6-S443 PolarHBondContact O-OG 2.77Å; V6-S443 VanDerWaalsContact O-OG 3.08Å
7C43.6Very low31.6Very low20 Ų2094.5 Ų94.514%0.13555%0.551CS.*  trans-96.1149.9-170.9-62.60000112.2R340 T379C7-R340 PolarHBondContact SG-NH1 2.62Å; C7-T379 VanDerWaalsContact CA-OG1 3.27Å; C7-T379 WeakPolarHBondContact CA-OG1 3.16Å; C7-T379 HydrophobicContact CB-CG2 3.96Å; C7-T379 WeakPolarHBondContact CB-OG1 3.38Å; C7-T379 PolarHBondContact N-OG1 3.09Å; C7-T379 WeakPolarHBondContact O-CB 3.39Å; C7-T379 PolarHBondContact O-N 3.09Å; C7-T379 PolarHBondContact O-OG1 3.09Å
8L39.4Very low31.3Very low19 Ų1999.2 Ų99.210%0.09957%0.567CS.*EExtended strand (participates in β ladder)trans-98.6133.1168.1-91.7159.9000108.3I376 F389 M430 L445L8-I376 HydrophobicContact CD2-CG2 3.29Å; L8-F389 HydrophobicContact CD2-CE1 4.36Å; L8-M430 HydrophobicContact CD1-CB 3.65Å; L8-M430 HydrophobicContact CD1-CE 4.32Å; L8-M430 HydrophobicContact CD1-SD 4.49Å; L8-M430 HydrophobicContact CD2-CB 4.02Å; L8-M430 HydrophobicContact CD2-CE 4.25Å; L8-M430 HydrophobicContact CD2-CG 4.44Å; L8-M430 HydrophobicContact CD2-SD 3.66Å; L8-M430 HydrophobicContact CG-CB 4Å; L8-M430 HydrophobicContact CG-CE 3.7Å; L8-M430 HydrophobicContact CG-SD 3.79Å; L8-L445 HydrophobicContact CD1-CB 4.48Å
9C36Very low31.1Very low67 Ų67103.2 Ų103.245%0.45358%0.58SS.*EExtended strand (participates in β ladder)trans-119.1143.8167.5-101.40000109.3Q377 T379C9-Q377 PolarHBondContact N-O 3.48Å; C9-Q377 CarbonylContact O-C 3.55Å; C9-Q377 WeakPolarHBondContact O-CB 3.46Å; C9-Q377 PolarHBondContact O-N 2.91Å; C9-T379 HydrophobicContact CB-CG2 3.31Å; C9-T379 WeakPolarHBondContact SG-CG2 3.31Å
10A34.5Very low31Very low31 Ų31103.6 Ų103.626%0.25659%0.585SS.*  trans-93.6125.5166.900000107.6F374A10-F374 HydrophobicContact CB-CZ 3.9Å
11V29.2Very low31Very low70 Ų70108 Ų10842%0.42460%0.601SS.*  trans-101.6114165.1178.30000106.1T13V11-T13 PolarHBondContact O-N 3Å
12F28.2Very low31.1Very low125 Ų125103.7 Ų103.755%0.54858%0.578SS.*  trans-74.7111.5169.1-94.1-95.7000107.9Q14F12-Q14 VanDerWaalsContact C-N 3.31Å; F12-Q14 PolarHBondContact O-N 3.33Å
13T25.6Very low31.7Very low103 Ų103100.2 Ų100.263%0.63257%0.566SS**  trans-83.48615448.50000107V11 V15V11-T13 PolarHBondContact O-N 3Å; T13-V15 PolarHBondContact O-N 3.01Å
14Q27.5Very low32.5Very low147 Ų147103.7 Ų103.769%0.68757%0.572SS**  trans-66.8116.7154.3-83.4-178.5-25.800106.2F12 L16F12-Q14 VanDerWaalsContact C-N 3.31Å; F12-Q14 PolarHBondContact O-N 3.33Å; Q14-L16 HydrophobicContact CB-CD1 4.03Å; Q14-L16 PolarHBondContact O-N 3.33Å
15V28.2Very low33.2Very low141 Ų141105.2 Ų105.286%0.85558%0.581SS**  trans-70.591.1155.9178.20000104.5T13 S17T13-V15 PolarHBondContact O-N 3.01Å; V15-S17 PolarHBondContact O-N 2.62Å; V15-S17 VanDerWaalsContact O-N 3.11Å
16L26Very low34.3Very low133 Ų133105.7 Ų105.770%0.69658%0.582SS**  trans-64.4107.1163.7-95.4100000106.4Q14 Q18Q14-L16 HydrophobicContact CB-CD1 4.03Å; Q14-L16 PolarHBondContact O-N 3.33Å; L16-Q18 PolarHBondContact O-N 3.03Å
17S27.7Very low35.1Very low102 Ų102110.2 Ų110.271%0.71361%0.614SS**  trans-60.3115.2150.3470000106.5V15 E19V15-S17 PolarHBondContact O-N 2.62Å; V15-S17 VanDerWaalsContact O-N 3.11Å; S17-E19 PolarHBondContact O-N 2.94Å
18Q26.2Very low36.1Very low178 Ų178110.7 Ų110.783%0.83262%0.617SS**  trans-59.3107.8166.4-84175.1-48.400107.7L16 T20L16-Q18 PolarHBondContact O-N 3.03Å; Q18-T20 VanDerWaalsContact C-N 3.35Å; Q18-T20 PolarHBondContact O-N 3.23Å; Q18-T20 VanDerWaalsContact O-N 3.11Å
19E28.9Very low37.4Very low175 Ų175114.7 Ų114.782%0.81864%0.643SS**  trans-67.4102.1156.5-73.8-178.5155.300106.4S17 E21S17-E19 PolarHBondContact O-N 2.94Å; E19-E21 PolarHBondContact O-N 2Å
20T28.1Very low38.6Very low111 Ų111120 Ų12068%0.68166%0.661SS**  trans-64.4118.3161.244.80000107.1Q18 E22Q18-T20 VanDerWaalsContact C-N 3.35Å; Q18-T20 PolarHBondContact O-N 3.23Å; Q18-T20 VanDerWaalsContact O-N 3.11Å; T20-E22 PolarHBondContact O-N 3.16Å
21E31.1Very low40Very low196 Ų196119.2 Ų119.292%0.91666%0.656SS**  trans-51.7106.2165.9-75.4-179.7150.700108.4E19E19-E21 PolarHBondContact O-N 2Å
22E32.5Very low42.1Very low159 Ų159119 Ų11974%0.74365%0.648SS**  trans-68.8131.8173.2-71.4-167.8156.500108.7T20 V24T20-E22 PolarHBondContact O-N 3.16Å; E22-V24 PolarHBondContact O-N 2.86Å
23P37Very low44.3Very low100 Ų100116.7 Ų116.765%0.64964%0.644SS**  trans-63.8138.3174.627.4-32.4000108.9T25P23-T25 WeakPolarHBondContact O-CG2 2.89Å; P23-T25 PolarHBondContact O-N 2.98Å
24V44.5Very low46.8Very low147 Ų147115.5 Ų115.589%0.89163%0.628SS**  trans-41.1104.1174.9-179.10000109.7E22 V26E22-V24 PolarHBondContact O-N 2.86Å; V24-V26 PolarHBondContact O-N 3.11Å
25T49.2Very low49.2Very low102 Ų102109.8 Ų109.863%0.62660%0.603SS**  trans-78.1117.4179.645.30000107P23 S27P23-T25 WeakPolarHBondContact O-CG2 2.89Å; P23-T25 PolarHBondContact O-N 2.98Å; T25-S27 VanDerWaalsContact C-N 3.34Å; T25-S27 PolarHBondContact O-N 3.49Å
26V56.7Low51.3Low82 Ų82113.2 Ų113.250%0.49760%0.6SS.*  trans-66.1103.3163.5-179.90000105.5V24 C28 Y34V24-V26 PolarHBondContact O-N 3.11Å; V26-C28 PolarHBondContact O-N 2.66Å; V26-Y34 HydrophobicContact CB-CD1 4.49Å; V26-Y34 HydrophobicContact CB-CD2 4.04Å; V26-Y34 HydrophobicContact CB-CE2 4.12Å; V26-Y34 HydrophobicContact CB-CG 4.23Å; V26-Y34 HydrophobicContact CG1-CD2 3.59Å; V26-Y34 HydrophobicContact CG1-CE2 3.61Å; V26-Y34 HydrophobicContact CG1-CG 4.26Å; V26-Y34 HydrophobicContact CG2-CE2 4.41Å
27S58Low53.5Low107 Ų107113.2 Ų113.275%0.74861%0.606SS**  trans-80.1111.6178.445.80000109T25T25-S27 VanDerWaalsContact C-N 3.34Å; T25-S27 PolarHBondContact O-N 3.49Å
28C64.5Low55.7Low29 Ų29115.6 Ų115.620%0.19660%0.599CS.*PPolyproline II helixtrans-78.3153163.3-64.90000108.9V26 Y32 C41V26-C28 PolarHBondContact O-N 2.66Å; C28-Y32 WeakPolarHBondContact CB-O 3.18Å; C28-C41 VanDerWaalsContact CA-SG 3.52Å; C28-C41 HydrophobicContact CB-CB 3.86Å; C28-C41 WeakPolarHBondContact CB-SG 3.02Å; C28-C41 VanDerWaalsContact SG-CA 3.56Å; C28-C41 WeakPolarHBondContact SG-CB 3.5Å; C28-C41 CovalentContact SG-SG 2.04Å; C28-C41 PolarHBondContact SG-SG 2.85Å
29T65.8Low58Low103 Ų103114.6 Ų114.663%0.63259%0.594SS**PPolyproline II helixtrans-59.8154.8170.144.80000110.5G31 Y32T29-G31 PolarHBondContact O-N 2.78Å; T29-Y32 PolarHBondContact O-N 2.79Å; T29-Y32 VanDerWaalsContact O-N 3.08Å; T29-Y32 WeakPolarHBondContact OG1-CD2 3.23Å
30E62.3Low59.9Low179 Ų179111.1 Ų111.184%0.83658%0.578SS**THydrogen-bonded Turntrans-53.6141.3174.7-65.9-169.7158.700110.6
31G62.9Low61.9Low15 Ų15108.5 Ų108.516%0.15556%0.564CS.*THydrogen-bonded Turntrans85.9-2.1-170.700000115.1T29 I44T29-G31 PolarHBondContact O-N 2.78Å; G31-I44 WeakPolarHBondContact O-CB 3.32Å; G31-I44 PolarHBondContact O-N 3.25Å
32Y73Confident64.2Low66 Ų66105.4 Ų105.426%0.25954%0.544SS..EExtended strand (participates in β ladder)trans-128.7143.6179.1-64.5-101.3000112C28 T29 R42 D43 F64 G65C28-Y32 WeakPolarHBondContact CB-O 3.18Å; T29-Y32 PolarHBondContact O-N 2.79Å; T29-Y32 VanDerWaalsContact O-N 3.08Å; T29-Y32 WeakPolarHBondContact OG1-CD2 3.23Å; Y32-R42 CarbonylContact C-O 3.56Å; Y32-R42 WeakPolarHBondContact CA-O 3.37Å; Y32-D43 HydrophobicContact CD1-CB 4.34Å; Y32-D43 HydrophobicContact CE1-CB 4.1Å; Y32-F64 VanDerWaalsContact OH-C 3.32Å; Y32-G65 PolarHBondContact OH-N 3.5Å; Y32-G65 VanDerWaalsContact OH-N 3.13Å
33T75.2Confident66.5Low76 Ų7698.9 Ų98.947%0.46651%0.514SS..EExtended strand (participates in β ladder)trans-117.3143.2175.3-169.90000110.8D35 R42 I44T33-D35 PolarHBondContact O-N 3.17Å; T33-R42 PolarHBondContact N-O 3.33Å; T33-R42 PolarHBondContact O-N 3.19Å; T33-I44 HydrophobicContact CG2-CG1 3.9Å
34Y78.3Confident68.5Low77 Ų7796.2 Ų96.230%0.30249%0.494SS..EExtended strand (participates in β ladder)trans-77.2110.5-178.3-171.8-106.3000110.9V26 R36 E39V26-Y34 HydrophobicContact CB-CD1 4.49Å; V26-Y34 HydrophobicContact CB-CD2 4.04Å; V26-Y34 HydrophobicContact CB-CE2 4.12Å; V26-Y34 HydrophobicContact CB-CG 4.23Å; V26-Y34 HydrophobicContact CG1-CD2 3.59Å; V26-Y34 HydrophobicContact CG1-CE2 3.61Å; V26-Y34 HydrophobicContact CG1-CG 4.26Å; V26-Y34 HydrophobicContact CG2-CE2 4.41Å; Y34-R36 HydrophobicContact CD1-CG 3.9Å; Y34-R36 HydrophobicContact CE1-CG 4.1Å; Y34-R36 PolarHBondContact O-N 2.86Å; Y34-E39 WeakPolarHBondContact OH-CA 3.28Å
35D77.3Confident70.2Confident28 Ų2891.1 Ų91.115%0.1546%0.462CS..EExtended strand (participates in β ladder)trans-80.2101.8173.5-175.1-19000109.2T33 V37 R38 E39 Q40 R42T33-D35 PolarHBondContact O-N 3.17Å; D35-V37 PolarHBondContact O-N 3.12Å; D35-V37 VanDerWaalsContact O-N 3.16Å; D35-V37 WeakPolarHBondContact OD1-CB 2.97Å; D35-V37 PolarHBondContact OD1-N 3.43Å; D35-R38 HydrophobicContact CB-CB 4.38Å; D35-R38 PolarHBondContact O-N 2.03Å; D35-R38 PolarHBondContact OD1-N 3.43Å; D35-R38 IonicContact OD2-CZ 2.7Å; D35-R38 IonicContact OD2-NH1 2.91Å; D35-R38 PolarHBondContact OD2-NH1 2.83Å; D35-E39 WeakPolarHBondContact O-CA 3.24Å; D35-E39 PolarHBondContact O-N 2.92Å; D35-Q40 PolarHBondContact N-O 3.38Å; D35-Q40 PolarHBondContact O-N 2.9Å; D35-R42 HydrophobicContact CB-CB 4.31Å
36R72.9Confident71.9Confident212 Ų21287.4 Ų87.480%0.844%0.437SS*.THydrogen-bonded Turntrans-62.9-18.3179.7-67-173.3179.4-128.80.3114.1Y34Y34-R36 HydrophobicContact CD1-CG 3.9Å; Y34-R36 HydrophobicContact CE1-CG 4.1Å; Y34-R36 PolarHBondContact O-N 2.86Å
37V72.4Confident73Confident134 Ų13485.2 Ų85.281%0.81243%0.425SS*.THydrogen-bonded Turntrans-84.8-34.3-179.8-177.80000110.7D35D35-V37 PolarHBondContact O-N 3.12Å; D35-V37 VanDerWaalsContact O-N 3.16Å; D35-V37 WeakPolarHBondContact OD1-CB 2.97Å; D35-V37 PolarHBondContact OD1-N 3.43Å
38R73.5Confident74.1Confident151 Ų15188 Ų8857%0.5743%0.427SS*.THydrogen-bonded Turntrans-100-3.1-179.9-65-173.5176.594.8-3.8113.8D35 Q40D35-R38 HydrophobicContact CB-CB 4.38Å; D35-R38 PolarHBondContact O-N 2.03Å; D35-R38 PolarHBondContact OD1-N 3.43Å; D35-R38 IonicContact OD2-CZ 2.7Å; D35-R38 IonicContact OD2-NH1 2.91Å; D35-R38 PolarHBondContact OD2-NH1 2.83Å; R38-Q40 HydrophobicContact CB-CG 3.73Å; R38-Q40 PolarHBondContact O-N 2.92Å
39E73.2Confident74.8Confident157 Ų15792.8 Ų92.873%0.73445%0.449SS*.THydrogen-bonded Turntrans50.736.1-176.1-61.3-174.1163.600112.9Y34 D35Y34-E39 WeakPolarHBondContact OH-CA 3.28Å; D35-E39 WeakPolarHBondContact O-CA 3.24Å; D35-E39 PolarHBondContact O-N 2.92Å
40Q70.6Confident75.2Confident103 Ų10391.8 Ų91.848%0.48144%0.44SS..EExtended strand (participates in β ladder)trans-141.9152.8-177.371.5-174.517.900111.2D35 R38 R42D35-Q40 PolarHBondContact N-O 3.38Å; D35-Q40 PolarHBondContact O-N 2.9Å; R38-Q40 HydrophobicContact CB-CG 3.73Å; R38-Q40 PolarHBondContact O-N 2.92Å; Q40-R42 PolarHBondContact O-N 3.29Å
41C69.2Low75.3Confident56 Ų5692.9 Ų92.938%0.37845%0.445SS..EExtended strand (participates in β ladder)trans-70124.9169.2-65.10000109.1C28C28-C41 VanDerWaalsContact CA-SG 3.52Å; C28-C41 HydrophobicContact CB-CB 3.86Å; C28-C41 WeakPolarHBondContact CB-SG 3.02Å; C28-C41 VanDerWaalsContact SG-CA 3.56Å; C28-C41 WeakPolarHBondContact SG-CB 3.5Å; C28-C41 CovalentContact SG-SG 2.04Å; C28-C41 PolarHBondContact SG-SG 2.85Å
42R80.1Confident75.7Confident130 Ų13099.1 Ų99.149%0.49148%0.475SS..EExtended strand (participates in β ladder)trans-109.4139.5174.9-164.9-170.999.9161.37.1108.7Y32 T33 D35 Q40 I44Y32-R42 CarbonylContact C-O 3.56Å; Y32-R42 WeakPolarHBondContact CA-O 3.37Å; T33-R42 PolarHBondContact N-O 3.33Å; T33-R42 PolarHBondContact O-N 3.19Å; D35-R42 HydrophobicContact CB-CB 4.31Å; Q40-R42 PolarHBondContact O-N 3.29Å; R42-I44 PolarHBondContact O-N 3.35Å
43D79.3Confident75.5Confident23 Ų2396.8 Ų96.812%0.12347%0.469CS..EExtended strand (participates in β ladder)trans-49.7134168.3-170.360.7000111.4Y32 N62 F64 G65Y32-D43 HydrophobicContact CD1-CB 4.34Å; Y32-D43 HydrophobicContact CE1-CB 4.1Å; D43-N62 PolarHBondContact OD2-ND2 3.34Å; D43-F64 WeakPolarHBondContact OD1-CA 3.47Å; D43-G65 PolarHBondContact OD1-N 2.87Å
44I80.5Confident75.4Confident43 Ų4393.9 Ų93.922%0.22145%0.452CS..  trans-82.9135.3172.2-66.3174.9000106.9G31 T33 R42 E46 L49 N62G31-I44 WeakPolarHBondContact O-CB 3.32Å; G31-I44 PolarHBondContact O-N 3.25Å; T33-I44 HydrophobicContact CG2-CG1 3.9Å; R42-I44 PolarHBondContact O-N 3.35Å; I44-E46 HydrophobicContact CG2-CG 4.11Å; I44-E46 PolarHBondContact O-N 3.14Å; I44-L49 HydrophobicContact CG2-CD1 3.3Å; I44-N62 PolarHBondContact O-OD1 2.98Å
45D80.3Confident75.2Confident41 Ų4199.2 Ų99.222%0.21948%0.476CS..  trans-89.691170.7-167.1-35000108.8C47 E48 L49 N62D45-C47 PolarHBondContact O-N 2.92Å; D45-C47 WeakPolarHBondContact OD1-CB 3.31Å; D45-C47 PolarHBondContact OD1-N 3.49Å; D45-C47 VanDerWaalsContact OD1-N 3.16Å; D45-E48 HydrophobicContact CB-CB 4.38Å; D45-E48 HydrophobicContact CB-CG 4.41Å; D45-E48 PolarHBondContact O-N 2.78Å; D45-E48 PolarHBondContact OD1-N 2.99Å; D45-E48 VanDerWaalsContact OD1-N 3.15Å; D45-L49 PolarHBondContact O-N 2.91Å; D45-N62 WeakPolarHBondContact CA-OD1 3.27Å
46E83.6Confident74.8Confident23 Ų23101.7 Ų101.711%0.10751%0.509CS..Hα-helixtrans-69.1-22.8-178.6-63.583.2-177.300112.5I44 E48 L49 L50 G66 Y67I44-E46 HydrophobicContact CG2-CG 4.11Å; I44-E46 PolarHBondContact O-N 3.14Å; E46-E48 VanDerWaalsContact C-N 3.28Å; E46-E48 PolarHBondContact O-N 3.46Å; E46-L49 PolarHBondContact O-N 2.74Å; E46-L50 HydrophobicContact CB-CD1 4.26Å; E46-L50 WeakPolarHBondContact O-CB 3.06Å; E46-L50 PolarHBondContact O-N 2.74Å; E46-G66 VanDerWaalsContact OE2-CA 3.25Å; E46-G66 WeakPolarHBondContact OE2-CA 3.33Å; E46-Y67 HydrophobicContact CB-CD1 3.39Å; E46-Y67 HydrophobicContact CB-CE1 3.94Å; E46-Y67 HydrophobicContact CB-CG 4.14Å; E46-Y67 HydrophobicContact CG-CD1 3.91Å; E46-Y67 HydrophobicContact CG-CE1 4.36Å
47C80.3Confident74.5Confident37 Ų3794 Ų9425%0.2550%0.495CS..Hα-helixtrans-68-28.9175.7-61.50000112.4D45 C60 V61 N62D45-C47 PolarHBondContact O-N 2.92Å; D45-C47 WeakPolarHBondContact OD1-CB 3.31Å; D45-C47 PolarHBondContact OD1-N 3.49Å; D45-C47 VanDerWaalsContact OD1-N 3.16Å; C47-C60 WeakPolarHBondContact CA-SG 3.14Å; C47-C60 HydrophobicContact CB-CB 3.79Å; C47-C60 WeakPolarHBondContact CB-SG 3.38Å; C47-C60 WeakPolarHBondContact SG-CB 3.35Å; C47-C60 CovalentContact SG-SG 2.04Å; C47-C60 PolarHBondContact SG-SG 3.15Å; C47-V61 PolarHBondContact SG-N 3.48Å; C47-N62 PolarHBondContact SG-N 2.84Å; C47-N62 VanDerWaalsContact SG-N 3.41Å
48E81.5Confident74.8Confident166 Ų16692.1 Ų92.178%0.77648%0.479SS*.Hα-helixtrans-82.6-24.8172.3-70.6-166.116200113.1D45 E46D45-E48 HydrophobicContact CB-CB 4.38Å; D45-E48 HydrophobicContact CB-CG 4.41Å; D45-E48 PolarHBondContact O-N 2.78Å; D45-E48 PolarHBondContact OD1-N 2.99Å; D45-E48 VanDerWaalsContact OD1-N 3.15Å; E46-E48 VanDerWaalsContact C-N 3.28Å; E46-E48 PolarHBondContact O-N 3.46Å
49L77.7Confident75.3Confident128 Ų12889 Ų8967%0.6747%0.471SS*.Hα-helixtrans-92.1-31.1-174.8-72.5166000114.2I44 D45 E46I44-L49 HydrophobicContact CG2-CD1 3.3Å; D45-L49 PolarHBondContact O-N 2.91Å; E46-L49 PolarHBondContact O-N 2.74Å
50L74.6Confident75.7Confident83 Ų8383.1 Ų83.144%0.43545%0.446SS..  trans-104.1108.1-178.5-64.2172.3000110.1E46 D52 A53 Y67E46-L50 HydrophobicContact CB-CD1 4.26Å; E46-L50 WeakPolarHBondContact O-CB 3.06Å; E46-L50 PolarHBondContact O-N 2.74Å; L50-D52 PolarHBondContact O-N 2.79Å; L50-A53 HydrophobicContact CB-CB 3.87Å; L50-A53 HydrophobicContact CD1-CB 4.48Å; L50-A53 PolarHBondContact O-N 2.82Å; L50-Y67 HydrophobicContact CD1-CE1 4.07Å
51E65.1Low76.3Confident201 Ų20179.7 Ų79.794%0.93943%0.433SS*.THydrogen-bonded Turntrans-54.7-28.1-179.8-81.2-173.7154.400113.5
52D72.1Confident76.6Confident147 Ų14779.7 Ų79.779%0.78643%0.429SS*.THydrogen-bonded Turntrans-129.650.7176-75.7-43.7000111.5L50 C54L50-D52 PolarHBondContact O-N 2.79Å; D52-C54 PolarHBondContact O-N 2.88Å; D52-C54 VanDerWaalsContact O-N 3.07Å
53A66.9Low76.6Confident16 Ų1677.2 Ų77.213%0.13242%0.423CS..SBendtrans-49.6-36.5179.400000113.1L50 C60 Y67L50-A53 HydrophobicContact CB-CB 3.87Å; L50-A53 HydrophobicContact CD1-CB 4.48Å; L50-A53 PolarHBondContact O-N 2.82Å; A53-C60 HydrophobicContact CB-CB 4.07Å; A53-C60 WeakPolarHBondContact CB-SG 3.32Å; A53-Y67 HydrophobicContact CB-CD2 4.1Å; A53-Y67 HydrophobicContact CB-CE2 3.83Å; A53-Y67 VanDerWaalsContact O-CE2 3.23Å; A53-Y67 WeakPolarHBondContact O-CE2 3.03Å; A53-Y67 PolarHBondContact O-OH 2.97Å
54C73.6Confident76.3Confident16 Ų1683.9 Ų83.911%0.10845%0.451CS..SBendtrans-120.4123.3-178.5-60.10000113D52 M58 C69D52-C54 PolarHBondContact O-N 2.88Å; D52-C54 VanDerWaalsContact O-N 3.07Å; C54-M58 HydrophobicContact CB-CB 3.89Å; C54-C69 WeakPolarHBondContact CA-SG 3.47Å; C54-C69 HydrophobicContact CB-CB 3.75Å; C54-C69 WeakPolarHBondContact CB-SG 3.43Å; C54-C69 WeakPolarHBondContact SG-CA 3.35Å; C54-C69 WeakPolarHBondContact SG-CB 3.49Å; C54-C69 CovalentContact SG-SG 2.03Å; C54-C69 PolarHBondContact SG-SG 3.13Å
55K74Confident75.7Confident188 Ų18882.4 Ų82.482%0.81745%0.446SS*.SBendtrans-77.9154.7176.2-67.3-179.1-177.8171.20112
56G69.1Low75.6Confident81 Ų8181.1 Ų81.184%0.83544%0.442SS*.THydrogen-bonded Turntrans79.221.1169.400000115.9
57G67.4Low75.4Confident50 Ų5084 Ų8452%0.51545%0.453SS..THydrogen-bonded Turntrans79.417.4175.500000114.8K72G57-K72 VanDerWaalsContact O-CD 3.31Å; G57-K72 WeakPolarHBondContact O-CD 3.48Å; G57-K72 WeakPolarHBondContact O-CE 3.34Å; G57-K72 WeakPolarHBondContact O-CG 3.24Å
58M77.9Confident75.2Confident94 Ų9483.3 Ų83.346%0.46345%0.447SS..PPolyproline II helixtrans-74.7159.1170.6-62.1-179.9-159.100111.2C54 C69 L70C54-M58 HydrophobicContact CB-CB 3.89Å; M58-C69 HydrophobicContact CB-CB 4.36Å; M58-C69 HydrophobicContact SD-CB 4.12Å; M58-L70 CarbonylContact C-O 3.22Å; M58-L70 WeakPolarHBondContact CA-O 3.3Å; M58-L70 WeakPolarHBondContact CB-O 3.34Å
59Q83.4Confident75.1Confident87 Ų8777.5 Ų77.541%0.40742%0.424SS..EExtended strand (participates in β ladder)trans-98.4133.9174.6175.4175.3-13.800109.9L70 K72Q59-L70 PolarHBondContact N-O 2.87Å; Q59-L70 PolarHBondContact O-N 2.63Å; Q59-K72 HydrophobicContact CB-CG 4.35Å
60C82.1Confident75Confident32 Ų3272.4 Ų72.422%0.21640%0.397CS..EExtended strand (participates in β ladder)trans-82.4138.2173.5-1680000110.8C47 A53 Y67 L68C47-C60 WeakPolarHBondContact CA-SG 3.14Å; C47-C60 HydrophobicContact CB-CB 3.79Å; C47-C60 WeakPolarHBondContact CB-SG 3.38Å; C47-C60 WeakPolarHBondContact SG-CB 3.35Å; C47-C60 CovalentContact SG-SG 2.04Å; C47-C60 PolarHBondContact SG-SG 3.15Å; A53-C60 HydrophobicContact CB-CB 4.07Å; A53-C60 WeakPolarHBondContact CB-SG 3.32Å; C60-Y67 WeakPolarHBondContact SG-CD2 3.39Å; C60-L68 CarbonylContact C-O 3.5Å; C60-L68 WeakPolarHBondContact CA-O 3.48Å
61V83.9Confident75Confident32 Ų3271.3 Ų71.319%0.19440%0.395CS..EExtended strand (participates in β ladder)trans-130.7122.2173.6-173.90000108.6C47 Y67 L68 L70 I76C47-V61 PolarHBondContact SG-N 3.48Å; V61-Y67 CarbonylContact O-C 3.59Å; V61-Y67 WeakPolarHBondContact O-CA 3.38Å; V61-L68 HydrophobicContact CB-CB 4.33Å; V61-L68 PolarHBondContact N-O 3.16Å; V61-L68 PolarHBondContact O-N 3.08Å; V61-L70 HydrophobicContact CG2-CD1 3.81Å; V61-L70 HydrophobicContact CG2-CG 4.25Å; V61-I76 HydrophobicContact CG1-CD1 4.38Å; V61-I76 HydrophobicContact CG2-CD1 3.33Å; V61-I76 HydrophobicContact CG2-CG1 4.29Å
62N76.3Confident75.4Confident55 Ų5569 Ų6929%0.29438%0.382SS..EExtended strand (participates in β ladder)trans-64.3135.6178.5-168.545000111D43 I44 D45 C47 G66D43-N62 PolarHBondContact OD2-ND2 3.34Å; I44-N62 PolarHBondContact O-OD1 2.98Å; D45-N62 WeakPolarHBondContact CA-OD1 3.27Å; C47-N62 PolarHBondContact SG-N 2.84Å; C47-N62 VanDerWaalsContact SG-N 3.41Å; N62-G66 PolarHBondContact OD1-O 2.86Å
63H79.1Confident75.1Confident79 Ų7967.1 Ų67.137%0.36638%0.38SS..EExtended strand (participates in β ladder)trans-140154.6-178.2-165.663.1000110.9G65 G66 L68H63-G65 PolarHBondContact O-N 2.95Å; H63-G66 CarbonylContact C-O 3.59Å; H63-G66 WeakPolarHBondContact CA-O 3.44Å; H63-G66 PolarHBondContact N-O 3.08Å; H63-G66 CarbonylContact O-C 3.59Å; H63-G66 PolarHBondContact O-N 2.81Å; H63-L68 HydrophobicContact CB-CD1 3.86Å; H63-L68 HydrophobicContact CB-CG 4.26Å
64F73.6Confident74.7Confident162 Ų16267.5 Ų67.571%0.71138%0.383SS*.THydrogen-bonded Turntrans-58.5114.2-176.6-67.9-74.9000112.1Y32 D43Y32-F64 VanDerWaalsContact OH-C 3.32Å; D43-F64 WeakPolarHBondContact OD1-CA 3.47Å
65G66.9Low74Confident12 Ų1272.5 Ų72.512%0.12441%0.408CS..THydrogen-bonded Turntrans84.511.7-177.900000115.3Y32 D43 H63Y32-G65 PolarHBondContact OH-N 3.5Å; Y32-G65 VanDerWaalsContact OH-N 3.13Å; D43-G65 PolarHBondContact OD1-N 2.87Å; H63-G65 PolarHBondContact O-N 2.95Å
66G78Confident73.1Confident14 Ų1466.7 Ų66.714%0.14439%0.385CS..EExtended strand (participates in β ladder)trans166.8-147178.200000114.4E46 N62 H63E46-G66 VanDerWaalsContact OE2-CA 3.25Å; E46-G66 WeakPolarHBondContact OE2-CA 3.33Å; N62-G66 PolarHBondContact OD1-O 2.86Å; H63-G66 CarbonylContact C-O 3.59Å; H63-G66 WeakPolarHBondContact CA-O 3.44Å; H63-G66 PolarHBondContact N-O 3.08Å; H63-G66 CarbonylContact O-C 3.59Å; H63-G66 PolarHBondContact O-N 2.81Å
67Y79.4Confident72.2Confident83 Ų8371 Ų7133%0.32538%0.377SS..EExtended strand (participates in β ladder)trans-143.2151.9-179.963.6-80.1000112.3E46 L50 A53 C60 V61E46-Y67 HydrophobicContact CB-CD1 3.39Å; E46-Y67 HydrophobicContact CB-CE1 3.94Å; E46-Y67 HydrophobicContact CB-CG 4.14Å; E46-Y67 HydrophobicContact CG-CD1 3.91Å; E46-Y67 HydrophobicContact CG-CE1 4.36Å; L50-Y67 HydrophobicContact CD1-CE1 4.07Å; A53-Y67 HydrophobicContact CB-CD2 4.1Å; A53-Y67 HydrophobicContact CB-CE2 3.83Å; A53-Y67 VanDerWaalsContact O-CE2 3.23Å; A53-Y67 WeakPolarHBondContact O-CE2 3.03Å; A53-Y67 PolarHBondContact O-OH 2.97Å; C60-Y67 WeakPolarHBondContact SG-CD2 3.39Å; V61-Y67 CarbonylContact O-C 3.59Å; V61-Y67 WeakPolarHBondContact O-CA 3.38Å
68L75.8Confident71.1Confident24 Ų2473.9 Ų73.913%0.12639%0.385CS..EExtended strand (participates in β ladder)trans-103131.4176.1-77.1151.8000109.8C60 V61 H63 L70C60-L68 CarbonylContact C-O 3.5Å; C60-L68 WeakPolarHBondContact CA-O 3.48Å; V61-L68 HydrophobicContact CB-CB 4.33Å; V61-L68 PolarHBondContact N-O 3.16Å; V61-L68 PolarHBondContact O-N 3.08Å; H63-L68 HydrophobicContact CB-CD1 3.86Å; H63-L68 HydrophobicContact CB-CG 4.26Å; L68-L70 HydrophobicContact CB-CG 4.46Å
69C79.8Confident69.5Low43 Ų4374.4 Ų74.429%0.29139%0.393SS..EExtended strand (participates in β ladder)trans-97.4105.8170.1-67.40000110.2C54 M58C54-C69 WeakPolarHBondContact CA-SG 3.47Å; C54-C69 HydrophobicContact CB-CB 3.75Å; C54-C69 WeakPolarHBondContact CB-SG 3.43Å; C54-C69 WeakPolarHBondContact SG-CA 3.35Å; C54-C69 WeakPolarHBondContact SG-CB 3.49Å; C54-C69 CovalentContact SG-SG 2.03Å; C54-C69 PolarHBondContact SG-SG 3.13Å; M58-C69 HydrophobicContact CB-CB 4.36Å; M58-C69 HydrophobicContact SD-CB 4.12Å
70L76.1Confident67.6Low21 Ų2177.2 Ų77.211%0.1141%0.411CS..EExtended strand (participates in β ladder)trans-105.3150.7-179.7-59.5-178.5000111M58 Q59 V61 L68 A74 I76 L239M58-L70 CarbonylContact C-O 3.22Å; M58-L70 WeakPolarHBondContact CA-O 3.3Å; M58-L70 WeakPolarHBondContact CB-O 3.34Å; Q59-L70 PolarHBondContact N-O 2.87Å; Q59-L70 PolarHBondContact O-N 2.63Å; V61-L70 HydrophobicContact CG2-CD1 3.81Å; V61-L70 HydrophobicContact CG2-CG 4.25Å; L68-L70 HydrophobicContact CB-CG 4.46Å; L70-A74 HydrophobicContact CB-CB 3.83Å; L70-A74 HydrophobicContact CD1-CB 4.18Å; L70-I76 HydrophobicContact CD1-CD1 4.24Å; L70-I76 HydrophobicContact CD1-CG1 3.9Å; L70-L239 HydrophobicContact CD2-CD2 3.77Å
71P73.8Confident65.6Low60 Ų6082.5 Ų82.539%0.3943%0.433SS..  trans-55.5144.4166.1-21.131.8000110.4S73 A74P71-S73 PolarHBondContact O-N 3.04Å; P71-A74 WeakPolarHBondContact O-CB 3.48Å; P71-A74 PolarHBondContact O-N 2.72Å
72K74.2Confident63.6Low154 Ų15487.2 Ų87.267%0.6746%0.461SS*.THydrogen-bonded Turntrans-57.6-16.9175.7-77.3178.4177.7178.30114.4G57 Q59G57-K72 VanDerWaalsContact O-CD 3.31Å; G57-K72 WeakPolarHBondContact O-CD 3.48Å; G57-K72 WeakPolarHBondContact O-CE 3.34Å; G57-K72 WeakPolarHBondContact O-CG 3.24Å; Q59-K72 HydrophobicContact CB-CG 4.35Å
73S65.8Low61.7Low106 Ų10690.8 Ų90.874%0.74148%0.48SS*.THydrogen-bonded Turntrans-85.2-6.1175.2540000113.8P71 I75P71-S73 PolarHBondContact O-N 3.04Å; S73-I75 PolarHBondContact O-N 3.22Å
74A59Low59.9Low25 Ų2592 Ų9221%0.20750%0.495CS..  trans-70.1126.2178.500000110.2L70 P71L70-A74 HydrophobicContact CB-CB 3.83Å; L70-A74 HydrophobicContact CD1-CB 4.18Å; P71-A74 WeakPolarHBondContact O-CB 3.48Å; P71-A74 PolarHBondContact O-N 2.72Å
75I58.4Low58.3Low121 Ų12189.8 Ų89.862%0.62150%0.497SS*.  trans-89.1111.2175.5-59.1175.2000107.4S73 Y77S73-I75 PolarHBondContact O-N 3.22Å; I75-Y77 HydrophobicContact CG2-CE1 4.49Å; I75-Y77 HydrophobicContact CG2-CE2 3.97Å
76I55.7Low57.1Low66 Ų6694.9 Ų94.934%0.33853%0.528SS..  trans-91.1115.7-180-55.2158.8000108.5V61 L70 V78V61-I76 HydrophobicContact CG1-CD1 4.38Å; V61-I76 HydrophobicContact CG2-CD1 3.33Å; V61-I76 HydrophobicContact CG2-CG1 4.29Å; L70-I76 HydrophobicContact CD1-CD1 4.24Å; L70-I76 HydrophobicContact CD1-CG1 3.9Å; I76-V78 HydrophobicContact CG2-CG2 4.14Å; I76-V78 PolarHBondContact O-N 2.84Å
77Y49.8Very low55.3Low171 Ų17199.7 Ų99.767%0.67156%0.556SS**  trans-88.7102.2166.3-63.5-82000108.2I75 T79 I235I75-Y77 HydrophobicContact CG2-CE1 4.49Å; I75-Y77 HydrophobicContact CG2-CE2 3.97Å; Y77-T79 PolarHBondContact O-N 3.29Å; Y77-I235 HydrophobicContact CE2-CD1 4.2Å
78V43.8Very low53.4Low111 Ų111101.4 Ų101.467%0.67358%0.578SS**  trans-73.597.5168.3-175.50000106.9I76 N80I76-V78 HydrophobicContact CG2-CG2 4.14Å; I76-V78 PolarHBondContact O-N 2.84Å; V78-N80 VanDerWaalsContact C-N 3.34Å; V78-N80 PolarHBondContact O-N 3.28Å
79T45.1Very low51.5Low104 Ų104109.5 Ų109.564%0.63862%0.615SS**  trans-69.899.4163.550.20000106.5Y77 E81Y77-T79 PolarHBondContact O-N 3.29Å; T79-E81 PolarHBondContact O-N 2.89Å
80N42.1Very low49.4Very low147 Ų147116.2 Ų116.279%0.78664%0.642SS**  trans-67.980162-77.6-20.6000106.9V78 V82V78-N80 VanDerWaalsContact C-N 3.34Å; V78-N80 PolarHBondContact O-N 3.28Å; N80-V82 VanDerWaalsContact C-N 3.33Å; N80-V82 PolarHBondContact O-N 3.25Å
81E41.3Very low47.6Very low143 Ų143121.4 Ų121.467%0.66868%0.675SS**  trans-73.592.6173.1-62.6-146164.600108.9T79T79-E81 PolarHBondContact O-N 2.89Å
82V41Very low45.8Very low131 Ų131127.6 Ų127.679%0.79470%0.698SS**  trans-102.2101137.1-179.70000104.4N80 P84N80-V82 VanDerWaalsContact C-N 3.33Å; N80-V82 PolarHBondContact O-N 3.25Å; V82-P84 WeakPolarHBondContact O-CD 3.39Å; V82-P84 VanDerWaalsContact O-N 3.09Å
83D37Very low44.1Very low129 Ų129129.1 Ų129.169%0.6971%0.708SS**  trans-49.2116173.6-82.4-44.4000110
84P41.1Very low42.8Very low106 Ų106130.2 Ų130.269%0.68871%0.71SS**PPolyproline II helixtrans-70.1142.1167.427.9-29.3000108.9V82V82-P84 WeakPolarHBondContact O-CD 3.39Å; V82-P84 VanDerWaalsContact O-N 3.09Å
85P39.5Very low41.8Very low115 Ų115134.6 Ų134.675%0.74774%0.736SS**PPolyproline II helixtrans-60.2146.217825.7-33.1000110.4
86P41.7Very low40.9Very low119 Ų119135.5 Ų135.577%0.77375%0.747SS**PPolyproline II helixtrans-61.1137.1-173.823.9-32.9000110.8
87P41.9Very low40.3Very low114 Ų114138.4 Ų138.474%0.7477%0.767SS**PPolyproline II helixtrans-66.4145.3175.926.3-31.4000110.3E89P87-E89 PolarHBondContact O-N 3.32Å
88P38.1Very low39.9Very low119 Ų119135.6 Ų135.677%0.77377%0.77SS**PPolyproline II helixtrans-64.2135179.325.1-31.6000111Q90P88-Q90 PolarHBondContact O-N 3.2Å
89E36.8Very low39.6Very low195 Ų195136.3 Ų136.391%0.91178%0.777SS**PPolyproline II helixtrans-48.2117.3176.2-79.3178.913700111.7P87P87-E89 PolarHBondContact O-N 3.32Å
90Q35.9Very low39Very low183 Ų183139 Ų13986%0.85579%0.788SS**  trans-95.7110164.6-69.1-158.1-9.900109.5P88 Q92P88-Q90 PolarHBondContact O-N 3.2Å; Q90-Q92 PolarHBondContact O-N 2.83Å
91V37.8Very low38.6Very low131 Ų131141.3 Ų141.379%0.79479%0.794SS**  trans-60.7111.8170.4179.40000109.1Q93V91-Q93 PolarHBondContact O-N 3.3Å
92Q36.4Very low38.2Very low189 Ų189138.2 Ų138.288%0.88380%0.8SS**PPolyproline II helixtrans-70.2122.5172.9-81.2178.2-15.700110.7Q90Q90-Q92 PolarHBondContact O-N 2.83Å
93Q37.9Very low37.8Very low186 Ų186141 Ų14187%0.86980%0.804SS**PPolyproline II helixtrans-81.4139.2169.9-67.7-179.5-000110.7V91V91-Q93 PolarHBondContact O-N 3.3Å
94V37.9Very low37.7Very low129 Ų129143.2 Ų143.278%0.78281%0.81SS**PPolyproline II helixtrans-66.6139.2-179.2179.30000111.5
95P39Very low37.3Very low118 Ų118144.7 Ų144.777%0.76682%0.817SS**PPolyproline II helixtrans-72.3131.7177.1-12.827.6000112.7
96V39.9Very low37Very low140 Ų140149 Ų14985%0.84882%0.818SS**PPolyproline II helixtrans-90.8126.9170.6177.30000109.6
97V41.3Very low36.8Very low126 Ų126152.6 Ų152.676%0.76483%0.825SS**PPolyproline II helixtrans-75.8133.6176.71780000110.9
98P43.4Very low36.4Very low112 Ų112152.7 Ų152.773%0.72782%0.823SS**PPolyproline II helixtrans-90144.8168.729.1-23000112.2
99P36.4Very low36.2Very low126 Ų126151 Ų15182%0.81883%0.828SS**PPolyproline II helixtrans-88.4149.8-178.533.5-32.6000114.3
100N32.8Very low36.2Very low162 Ų162145 Ų14587%0.86682%0.817SS**  trans-43.1141.8168.5-86.2-27.6000115.4
101Q34.3Very low36.2Very low195 Ų195146 Ų14691%0.91182%0.821SS**  trans-140.6126139.4-70.9-165.21.400110.7
102G31.1Very low36.1Very low78 Ų78150.8 Ų150.880%0.80483%0.825SS**  trans-85.9161.717700000113
103H34.2Very low36.2Very low190 Ų190148 Ų14888%0.8882%0.821SS**  trans-137.9117.4166.6-139.1-45000110.8
104H34.1Very low36.1Very low175 Ų175144.4 Ų144.481%0.8182%0.817SS**  trans-80139.1168.5-113.7-66000109.8
105T32.8Very low36Very low136 Ų136146.5 Ų146.583%0.83482%0.818SS**  trans-146.6144.314446.20000110.9
106R33.3Very low36.1Very low206 Ų206144.3 Ų144.378%0.77781%0.809SS**  trans-117.9132.6-168.4179.7-174.6-172.4-174.93.4107.5
107H36.5Very low36.6Very low195 Ų195142.8 Ų142.890%0.90381%0.805SS**  trans-132.1119.4161.3-95.4-68000110.3
108T34.7Very low37.2Very low116 Ų116143.6 Ų143.671%0.71280%0.801SS**  trans-116133170.545.70000108.2
109G33.5Very low37.9Very low84 Ų84144.8 Ų144.887%0.86681%0.806SS**  trans-148.4112.5167.500000108.9
110G36.3Very low39.5Very low67 Ų67141.9 Ų141.969%0.69178%0.783SS**  trans-105157172.800000110.9
111H36.2Very low41.6Very low204 Ų204145.9 Ų145.994%0.94479%0.786SS**  trans-155131.4150.5-107.2-71.1000109.9
112R35.9Very low43.8Very low232 Ų232138 Ų13888%0.87575%0.752SS**  trans-108.2151.9174.4-155.4-178.9-170.2-156.13.1106.5
113V39Very low46.3Very low130 Ų130138.7 Ų138.779%0.78874%0.744SS**  169.4142.6128.2158.20000113
114S34.5Very low48.6Very low112 Ų112136.4 Ų136.478%0.78374%0.744SS**  trans77.711815363.80000121.9
115Q37.4Very low50.9Low173 Ų173128.7 Ų128.781%0.80871%0.712SS**  trans-68.3139.5163.7-66.8172.7-45.700112
116A40.5Very low53.5Low71 Ų71124.2 Ų124.259%0.58768%0.681SS**  trans-128.3125.5145.700000106.5Q118A116-Q118 PolarHBondContact O-N 2.75Å
117S49.7Very low56Low109 Ų109118.1 Ų118.176%0.76267%0.667SS**  trans-72.169.5174.4-179.60000110
118Q55.5Low58.2Low143 Ų143110.7 Ų110.767%0.66864%0.639SS**  trans-78.6134.7150-72.1173.6-3.200105.8A116 I120A116-Q118 PolarHBondContact O-N 2.75Å; Q118-I120 PolarHBondContact O-N 3.5Å
119T58Low60.3Low137 Ų137106.5 Ų106.584%0.8461%0.612SS**  trans-59.495.5162.8-3.50000106R121T119-R121 PolarHBondContact O-N 3.38Å; T119-R121 VanDerWaalsContact O-N 3.12Å
120I69.2Low62.5Low65 Ų65111.5 Ų111.533%0.33361%0.613SS.*  trans-65.9117-172-99.3168.7000106.5Q118 C122 N132 C134Q118-I120 PolarHBondContact O-N 3.5Å; I120-C122 VanDerWaalsContact CG2-SG 3.56Å; I120-C122 PolarHBondContact O-N 2.03Å; I120-N132 HydrophobicContact CD1-CB 4.3Å; I120-N132 WeakPolarHBondContact CD1-O 3.19Å; I120-C134 WeakPolarHBondContact CG2-SG 3.31Å
121R77.1Confident64.6Low246 Ų246112.7 Ų112.793%0.92860%0.601SS**  trans-80.999.6169.2-79.9-173.5171176.8-2.4106.8T119T119-R121 PolarHBondContact O-N 3.38Å; T119-R121 VanDerWaalsContact O-N 3.12Å
122C80.1Confident66.6Low30 Ų30105.4 Ų105.420%0.20357%0.569CS.*PPolyproline II helixtrans-66.9146.1172.8-640000110.5I120 F126 C134I120-C122 VanDerWaalsContact CG2-SG 3.56Å; I120-C122 PolarHBondContact O-N 2.03Å; C122-F126 HydrophobicContact CB-CB 3.73Å; C122-F126 VanDerWaalsContact CB-O 3.28Å; C122-F126 WeakPolarHBondContact CB-O 3.41Å; C122-C134 WeakPolarHBondContact CA-SG 2.97Å; C122-C134 HydrophobicContact CB-CB 3.87Å; C122-C134 WeakPolarHBondContact CB-SG 3.39Å; C122-C134 WeakPolarHBondContact SG-CA 3.17Å; C122-C134 WeakPolarHBondContact SG-CB 3.06Å; C122-C134 CovalentContact SG-SG 2.04Å; C122-C134 PolarHBondContact SG-SG 2.77Å
123S84.2Confident68.8Low91 Ų9199 Ų9964%0.63655%0.551SS**PPolyproline II helixtrans-58.6156.4170.4-56.20000110.2G125 F126S123-G125 PolarHBondContact O-N 2.72Å; S123-F126 WeakPolarHBondContact O-CB 3.44Å; S123-F126 PolarHBondContact O-N 3.34Å
124T83.3Confident71Confident143 Ų14395 Ų9588%0.87753%0.528SS*.THydrogen-bonded Turntrans-49.9134.1174.7-46.60000110.8
125G81.8Confident73.5Confident13 Ų1396.2 Ų96.213%0.13452%0.515CS..THydrogen-bonded Turntrans88.81.5-174.500000115S123 I137S123-G125 PolarHBondContact O-N 2.72Å; G125-I137 PolarHBondContact O-N 3.1Å
126F87.5Confident76Confident41 Ų4190 Ų9018%0.1849%0.488CS..EExtended strand (participates in β ladder)trans-127.2145.2177.9-65.3-99.2000111.6C122 S123 C134 R135 D136 R157C122-F126 HydrophobicContact CB-CB 3.73Å; C122-F126 VanDerWaalsContact CB-O 3.28Å; C122-F126 WeakPolarHBondContact CB-O 3.41Å; S123-F126 WeakPolarHBondContact O-CB 3.44Å; S123-F126 PolarHBondContact O-N 3.34Å; F126-C134 HydrophobicContact CB-CB 4.14Å; F126-C134 HydrophobicContact CD1-CB 4.45Å; F126-R135 CarbonylContact C-O 3.43Å; F126-R135 WeakPolarHBondContact CA-O 3.36Å; F126-R135 WeakPolarHBondContact CB-O 3.47Å; F126-D136 HydrophobicContact CD1-CB 4.38Å; F126-D136 HydrophobicContact CE1-CB 4.22Å; F126-R157 HydrophobicContact CE1-CG 4.06Å; F126-R157 HydrophobicContact CZ-CG 3.71Å
127T85.8Confident78.3Confident78 Ų7888.9 Ų88.948%0.47947%0.472SS..EExtended strand (participates in β ladder)trans-120.5146174.3-170.30000110.8R135 I137T127-R135 PolarHBondContact N-O 3Å; T127-R135 PolarHBondContact O-N 2.85Å; T127-I137 HydrophobicContact CG2-CG1 3.98Å
128A82Confident80.2Confident40 Ų4086.9 Ų86.933%0.33145%0.452SS..EExtended strand (participates in β ladder)trans-80.1125.3178.300000109.8
129D79.7Confident82Confident27 Ų2780.8 Ų80.814%0.14442%0.424CS..  trans-75.5176.8172.17110.5000112.2Q131 N132 I133 R135D129-Q131 PolarHBondContact O-N 3.11Å; D129-Q131 WeakPolarHBondContact OD1-CA 3.21Å; D129-Q131 WeakPolarHBondContact OD1-CB 3Å; D129-Q131 PolarHBondContact OD1-N 3.46Å; D129-Q131 PolarHBondContact OD2-OE1 3.15Å; D129-N132 PolarHBondContact O-N 2.93Å; D129-N132 PolarHBondContact OD1-N 3.47Å; D129-I133 PolarHBondContact N-O 2.6Å; D129-I133 WeakPolarHBondContact OD1-CB 3.5Å; D129-I133 PolarHBondContact OD1-N 2.75Å; D129-R135 HydrophobicContact CB-CG 4.24Å; D129-R135 IonicContact OD2-CZ 3.59Å; D129-R135 IonicContact OD2-NE 3.16Å; D129-R135 PolarHBondContact OD2-NE 2.85Å; D129-R135 IonicContact OD2-NH2 2.72Å; D129-R135 PolarHBondContact OD2-NH2 2.96Å
130E78.1Confident83.6Confident189 Ų18976 Ų7688%0.88340%0.396SS*.THydrogen-bonded Turntrans-58.7-13.1178.6-63.8-178.9173.700113.9
131Q80.8Confident84.5Confident92 Ų9276.8 Ų76.843%0.4341%0.412SS..THydrogen-bonded Turntrans-102.311.5176.9-63.282.840.200113.1D129 I133D129-Q131 PolarHBondContact O-N 3.11Å; D129-Q131 WeakPolarHBondContact OD1-CA 3.21Å; D129-Q131 WeakPolarHBondContact OD1-CB 3Å; D129-Q131 PolarHBondContact OD1-N 3.46Å; D129-Q131 PolarHBondContact OD2-OE1 3.15Å; Q131-I133 VanDerWaalsContact C-N 3.26Å; Q131-I133 HydrophobicContact CB-CD1 4.12Å; Q131-I133 HydrophobicContact CB-CG1 4.29Å; Q131-I133 PolarHBondContact O-N 2.93Å
132N77.9Confident85Confident52 Ų5268.8 Ų68.828%0.27839%0.39SS..SBendtrans58.932-173.2-76.2-45000113.2I120 D129I120-N132 HydrophobicContact CD1-CB 4.3Å; I120-N132 WeakPolarHBondContact CD1-O 3.19Å; D129-N132 PolarHBondContact O-N 2.93Å; D129-N132 PolarHBondContact OD1-N 3.47Å
133I82.8Confident85.1Confident97 Ų9769.8 Ų69.850%0.49741%0.405SS..  trans-102.2129175.4-59.5170.2000108.4D129 Q131 R135D129-I133 PolarHBondContact N-O 2.6Å; D129-I133 WeakPolarHBondContact OD1-CB 3.5Å; D129-I133 PolarHBondContact OD1-N 2.75Å; Q131-I133 VanDerWaalsContact C-N 3.26Å; Q131-I133 HydrophobicContact CB-CD1 4.12Å; Q131-I133 HydrophobicContact CB-CG1 4.29Å; Q131-I133 PolarHBondContact O-N 2.93Å; I133-R135 PolarHBondContact O-N 3.38Å; I133-R135 VanDerWaalsContact O-N 3.08Å
134C85.8Confident85.2Confident45 Ų4571.2 Ų71.230%0.30441%0.405SS..EExtended strand (participates in β ladder)trans-68.9107.9175.2-65.80000110.4I120 C122 F126I120-C134 WeakPolarHBondContact CG2-SG 3.31Å; C122-C134 WeakPolarHBondContact CA-SG 2.97Å; C122-C134 HydrophobicContact CB-CB 3.87Å; C122-C134 WeakPolarHBondContact CB-SG 3.39Å; C122-C134 WeakPolarHBondContact SG-CA 3.17Å; C122-C134 WeakPolarHBondContact SG-CB 3.06Å; C122-C134 CovalentContact SG-SG 2.04Å; C122-C134 PolarHBondContact SG-SG 2.77Å; F126-C134 HydrophobicContact CB-CB 4.14Å; F126-C134 HydrophobicContact CD1-CB 4.45Å
135R86.6Confident85.3Confident138 Ų13867.6 Ų67.652%0.52138%0.378SS..EExtended strand (participates in β ladder)trans-98.7147.6169.3-64-162-173.5-179.510.5109.7F126 T127 D129 I133F126-R135 CarbonylContact C-O 3.43Å; F126-R135 WeakPolarHBondContact CA-O 3.36Å; F126-R135 WeakPolarHBondContact CB-O 3.47Å; T127-R135 PolarHBondContact N-O 3Å; T127-R135 PolarHBondContact O-N 2.85Å; D129-R135 HydrophobicContact CB-CG 4.24Å; D129-R135 IonicContact OD2-CZ 3.59Å; D129-R135 IonicContact OD2-NE 3.16Å; D129-R135 PolarHBondContact OD2-NE 2.85Å; D129-R135 IonicContact OD2-NH2 2.72Å; D129-R135 PolarHBondContact OD2-NH2 2.96Å; I133-R135 PolarHBondContact O-N 3.38Å; I133-R135 VanDerWaalsContact O-N 3.08Å
136D89.8Confident85.5Confident42 Ų4271.6 Ų71.623%0.22540%0.404CS..EExtended strand (participates in β ladder)trans-56.2136.1172.5-166.952.4000110.2F126 D138 N155 R157 G158F126-D136 HydrophobicContact CD1-CB 4.38Å; F126-D136 HydrophobicContact CE1-CB 4.22Å; D136-D138 PolarHBondContact O-N 2.85Å; D136-N155 PolarHBondContact OD2-ND2 3.12Å; D136-N155 PolarHBondContact OD2-OD1 2.72Å; D136-R157 WeakPolarHBondContact OD1-CA 3.44Å; D136-G158 PolarHBondContact OD1-N 2.81Å
137I89.9Confident85.5Confident49 Ų4970.6 Ų70.625%0.25140%0.401SS..PPolyproline II helixtrans-78.3120.9169.9-64171.1000106G125 T127 E139 N155G125-I137 PolarHBondContact O-N 3.1Å; T127-I137 HydrophobicContact CG2-CG1 3.98Å; I137-E139 HydrophobicContact CG2-CG 4.14Å; I137-E139 PolarHBondContact O-N 3.49Å; I137-N155 PolarHBondContact O-OD1 3.42Å
138D89.4Confident85.4Confident67 Ų6767.3 Ų67.336%0.35838%0.383SS..  trans-79.190.8169.6-170.1-27000108.7D136 C140 A141 T142D136-D138 PolarHBondContact O-N 2.85Å; D138-C140 PolarHBondContact O-N 3.47Å; D138-C140 WeakPolarHBondContact OD1-CB 3.39Å; D138-C140 PolarHBondContact OD1-N 2.95Å; D138-C140 VanDerWaalsContact OD1-N 3.14Å; D138-A141 HydrophobicContact CB-CB 3.94Å; D138-A141 VanDerWaalsContact CG-CB 3.49Å; D138-A141 PolarHBondContact O-N 2.91Å; D138-A141 PolarHBondContact OD1-N 3.27Å; D138-T142 WeakPolarHBondContact O-CB 3.44Å; D138-T142 VanDerWaalsContact O-CG2 3.29Å; D138-T142 WeakPolarHBondContact O-CG2 3.46Å; D138-T142 PolarHBondContact O-N 2.9Å; D138-T142 PolarHBondContact O-OG1 2.85Å
139E92.3Very high85.5Confident15 Ų1571.8 Ų71.87%0.0741%0.409CS..Hα-helixtrans-62.5-27.4-178.5-60.593.1164.900111.9I137 T142 G143 I144 H145 N155 S159 F160I137-E139 HydrophobicContact CG2-CG 4.14Å; I137-E139 PolarHBondContact O-N 3.49Å; E139-T142 WeakPolarHBondContact CA-OG1 3.48Å; E139-T142 PolarHBondContact O-OG1 3.38Å; E139-G143 PolarHBondContact O-N 2.79Å; E139-I144 WeakPolarHBondContact CB-O 3.42Å; E139-I144 PolarHBondContact O-N 2.84Å; E139-H145 HydrophobicContact CB-CB 4.32Å; E139-H145 PolarHBondContact O-CD2 2.6Å; E139-N155 PolarHBondContact OE2-OD1 2.89Å; E139-S159 WeakPolarHBondContact OE1-CA 3.48Å; E139-F160 HydrophobicContact CB-CB 4.02Å; E139-F160 HydrophobicContact CB-CD1 3.71Å; E139-F160 HydrophobicContact CB-CG 4.03Å; E139-F160 HydrophobicContact CG-CB 4.47Å; E139-F160 HydrophobicContact CG-CD1 3.66Å; E139-F160 HydrophobicContact CG-CE1 4.4Å; E139-F160 HydrophobicContact CG-CG 4.4Å; E139-F160 PolarHBondContact OE2-N 3.12Å
140C90.8Very high85.7Confident37 Ų3776.3 Ų76.325%0.2543%0.429CS..Hα-helixtrans-72.5-42.3177.8-52.70000112.3D138 C153 Y154 N155D138-C140 PolarHBondContact O-N 3.47Å; D138-C140 WeakPolarHBondContact OD1-CB 3.39Å; D138-C140 PolarHBondContact OD1-N 2.95Å; D138-C140 VanDerWaalsContact OD1-N 3.14Å; C140-C153 WeakPolarHBondContact CA-SG 3.3Å; C140-C153 HydrophobicContact CB-CB 3.78Å; C140-C153 WeakPolarHBondContact CB-SG 3.37Å; C140-C153 WeakPolarHBondContact SG-CB 3.39Å; C140-C153 PolarHBondContact SG-O 2.72Å; C140-C153 CovalentContact SG-SG 2.04Å; C140-C153 PolarHBondContact SG-SG 2.8Å; C140-Y154 VanDerWaalsContact SG-C 3.5Å; C140-Y154 PolarHBondContact SG-N 2.93Å; C140-N155 PolarHBondContact SG-N 3.13Å
141A88.7Confident86.2Confident81 Ų8168.1 Ų68.167%0.66939%0.391SS*.Hα-helixtrans-74.3-29.5176.400000112.8D138D138-A141 HydrophobicContact CB-CB 3.94Å; D138-A141 VanDerWaalsContact CG-CB 3.49Å; D138-A141 PolarHBondContact O-N 2.91Å; D138-A141 PolarHBondContact OD1-N 3.27Å
142T87.1Confident86.7Confident78 Ų7867.1 Ų67.148%0.47939%0.391SS..Hα-helixtrans-88-12.8-179.157.10000113.5D138 E139 I144D138-T142 WeakPolarHBondContact O-CB 3.44Å; D138-T142 VanDerWaalsContact O-CG2 3.29Å; D138-T142 WeakPolarHBondContact O-CG2 3.46Å; D138-T142 PolarHBondContact O-N 2.9Å; D138-T142 PolarHBondContact O-OG1 2.85Å; E139-T142 WeakPolarHBondContact CA-OG1 3.48Å; E139-T142 PolarHBondContact O-OG1 3.38Å; T142-I144 PolarHBondContact O-N 2.88Å
143G83.3Confident87.3Confident50 Ų5065.8 Ų65.852%0.51539%0.385SS..THydrogen-bonded Turntrans71.914.4-176.100000113.8E139 H145E139-G143 PolarHBondContact O-N 2.79Å; G143-H145 VanDerWaalsContact C-N 3.26Å; G143-H145 PolarHBondContact O-N 2.95Å
144I85.8Confident87.8Confident121 Ų12166.3 Ų66.362%0.62138%0.382SS*.  trans-94.653.2-178.7-47.9176.7000109.2E139 T142E139-I144 WeakPolarHBondContact CB-O 3.42Å; E139-I144 PolarHBondContact O-N 2.84Å; T142-I144 PolarHBondContact O-N 2.88Å
145H85.7Confident88Confident67 Ų6766.7 Ų66.731%0.3138%0.381SS..  trans-128.2151.2179.761.868000111.2E139 G143 C147 F160E139-H145 HydrophobicContact CB-CB 4.32Å; E139-H145 PolarHBondContact O-CD2 2.6Å; G143-H145 VanDerWaalsContact C-N 3.26Å; G143-H145 PolarHBondContact O-N 2.95Å; H145-C147 VanDerWaalsContact C-N 3.33Å; H145-C147 PolarHBondContact ND1-N 3.21Å; H145-F160 HydrophobicContact CB-CD1 4.4Å; H145-F160 HydrophobicContact CB-CD2 3.74Å; H145-F160 HydrophobicContact CB-CE1 4.37Å; H145-F160 HydrophobicContact CB-CE2 3.7Å; H145-F160 HydrophobicContact CB-CG 4.11Å; H145-F160 HydrophobicContact CB-CZ 4.04Å
146S86.4Confident88.2Confident98 Ų9862.9 Ų62.969%0.68537%0.373SS*.  trans-95.923.7175.6-51.50000112.8
147C86.2Confident88.3Confident19 Ų1970.7 Ų70.713%0.12840%0.4CS..  trans-66136.6175.1-54.90000111.4H145 Q151 C153 C162H145-C147 VanDerWaalsContact C-N 3.33Å; H145-C147 PolarHBondContact ND1-N 3.21Å; C147-Q151 HydrophobicContact CB-CB 4.22Å; C147-C153 VanDerWaalsContact SG-CB 3.6Å; C147-C162 WeakPolarHBondContact CA-SG 3.37Å; C147-C162 HydrophobicContact CB-CB 3.76Å; C147-C162 WeakPolarHBondContact CB-SG 3.29Å; C147-C162 WeakPolarHBondContact SG-CB 3.5Å; C147-C162 CovalentContact SG-SG 2.02Å; C147-C162 PolarHBondContact SG-SG 2.77Å
148G85.1Confident88.2Confident9 Ų969.4 Ų69.49%0.09340%0.399CS..  trans-67.5166.417300000113E150 Q151 D173G148-E150 PolarHBondContact O-N 3.44Å; G148-Q151 VanDerWaalsContact N-OE1 3.13Å; G148-Q151 WeakPolarHBondContact O-CB 3.49Å; G148-Q151 PolarHBondContact O-N 2.84Å; G148-Q151 VanDerWaalsContact O-N 3.09Å; G148-D173 WeakPolarHBondContact CA-O 3.1Å
149P82.9Confident88.2Confident134 Ų13469 Ų6987%0.8740%0.4SS*.THydrogen-bonded Turntrans-64.3-24.7-17225.3-34.4000114.5
150E84.7Confident88.2Confident122 Ų12270.8 Ų70.857%0.5741%0.408SS*.THydrogen-bonded Turntrans-98.54.8179.9-62.4178171.600112.9G148 P165G148-E150 PolarHBondContact O-N 3.44Å; E150-P165 WeakPolarHBondContact O-CD 3.39Å
151Q88.6Confident88.1Confident17 Ų1771.8 Ų71.88%0.07941%0.413CS..PPolyproline II helixtrans-103.7140.5-175.7-62.9173.9700111.1C147 G148 C162 Q163 R170 D173 C175C147-Q151 HydrophobicContact CB-CB 4.22Å; G148-Q151 VanDerWaalsContact N-OE1 3.13Å; G148-Q151 WeakPolarHBondContact O-CB 3.49Å; G148-Q151 PolarHBondContact O-N 2.84Å; G148-Q151 VanDerWaalsContact O-N 3.09Å; Q151-C162 HydrophobicContact CB-CB 4.32Å; Q151-Q163 WeakPolarHBondContact CA-O 3.38Å; Q151-R170 VanDerWaalsContact CD-NH1 3.26Å; Q151-R170 VanDerWaalsContact OE1-CZ 3.27Å; Q151-D173 PolarHBondContact NE2-O 3Å; Q151-C175 WeakPolarHBondContact CG-SG 3.43Å
152T90.7Very high88.2Confident71 Ų7168.7 Ų68.744%0.43639%0.386SS..EExtended strand (participates in β ladder)trans-88.5125.9172.1-54.80000109.6Y154 C162 Q163T152-Y154 HydrophobicContact CG2-CD2 4.31Å; T152-Y154 HydrophobicContact CG2-CE1 4.36Å; T152-Y154 HydrophobicContact CG2-CE2 3.62Å; T152-Y154 WeakPolarHBondContact O-CD2 3.28Å; T152-C162 WeakPolarHBondContact O-CA 3.36Å; T152-Q163 PolarHBondContact N-O 3.34Å; T152-Q163 PolarHBondContact O-N 2.83Å
153C91.3Very high88.3Confident24 Ų2469.5 Ų69.516%0.16239%0.385CS..EExtended strand (participates in β ladder)trans-79.6130174.1-174.60000110.3C140 C147C140-C153 WeakPolarHBondContact CA-SG 3.3Å; C140-C153 HydrophobicContact CB-CB 3.78Å; C140-C153 WeakPolarHBondContact CB-SG 3.37Å; C140-C153 WeakPolarHBondContact SG-CB 3.39Å; C140-C153 PolarHBondContact SG-O 2.72Å; C140-C153 CovalentContact SG-SG 2.04Å; C140-C153 PolarHBondContact SG-SG 2.8Å; C147-C153 VanDerWaalsContact SG-CB 3.6Å
154Y92.4Very high88.7Confident108 Ų10868.3 Ų68.342%0.42437%0.369SS..EExtended strand (participates in β ladder)trans-121.5117.9171.7-64.7-87.7000109.1C140 T152 T161 Q163C140-Y154 VanDerWaalsContact SG-C 3.5Å; C140-Y154 PolarHBondContact SG-N 2.93Å; T152-Y154 HydrophobicContact CG2-CD2 4.31Å; T152-Y154 HydrophobicContact CG2-CE1 4.36Å; T152-Y154 HydrophobicContact CG2-CE2 3.62Å; T152-Y154 WeakPolarHBondContact O-CD2 3.28Å; Y154-T161 PolarHBondContact N-O 2.82Å; Y154-T161 PolarHBondContact O-N 2.77Å; Y154-Q163 HydrophobicContact CD2-CB 4.11Å; Y154-Q163 HydrophobicContact CD2-CG 3.79Å; Y154-Q163 HydrophobicContact CE2-CB 3.81Å; Y154-Q163 HydrophobicContact CE2-CG 3.92Å
155N91.3Very high88.9Confident53 Ų5365.5 Ų65.528%0.28336%0.358SS..EExtended strand (participates in β ladder)trans-70.5136.3176.5-178.431.8000110D136 I137 E139 C140 S159D136-N155 PolarHBondContact OD2-ND2 3.12Å; D136-N155 PolarHBondContact OD2-OD1 2.72Å; I137-N155 PolarHBondContact O-OD1 3.42Å; E139-N155 PolarHBondContact OE2-OD1 2.89Å; C140-N155 PolarHBondContact SG-N 3.13Å; N155-S159 PolarHBondContact OD1-O 2.98Å
156T90.9Very high89Confident59 Ų5970.5 Ų70.536%0.36239%0.386SS..EExtended strand (participates in β ladder)trans-127.4159.817662.50000109.6G158 S159 T161T156-G158 PolarHBondContact O-N 2.04Å; T156-S159 CarbonylContact C-O 3.51Å; T156-S159 WeakPolarHBondContact CA-O 3.44Å; T156-S159 WeakPolarHBondContact CB-O 3.43Å; T156-S159 PolarHBondContact N-O 3.35Å; T156-S159 CarbonylContact O-C 3.58Å; T156-S159 PolarHBondContact O-N 3.49Å; T156-S159 VanDerWaalsContact O-N 3.16Å; T156-S159 VanDerWaalsContact OG1-C 3.27Å; T156-S159 PolarHBondContact OG1-O 2.84Å; T156-T161 HydrophobicContact CG2-CG2 3.94Å
157R90.8Very high89Confident206 Ų20666.8 Ų66.878%0.77736%0.364SS*.THydrogen-bonded Turntrans-65.9109-178.2-176.3175.217586.33.7111F126 D136F126-R157 HydrophobicContact CE1-CG 4.06Å; F126-R157 HydrophobicContact CZ-CG 3.71Å; D136-R157 WeakPolarHBondContact OD1-CA 3.44Å
158G87.6Confident89.3Confident22 Ų2268.7 Ų68.723%0.22737%0.369CS..THydrogen-bonded Turntrans88.68.5178.300000115.2D136 T156D136-G158 PolarHBondContact OD1-N 2.81Å; T156-G158 PolarHBondContact O-N 2.04Å
159S90.6Very high89.5Confident57 Ų5773.1 Ų73.140%0.39938%0.383SS..EExtended strand (participates in β ladder)trans-172.4174.7-179.1-173.70000110.5E139 N155 T156E139-S159 WeakPolarHBondContact OE1-CA 3.48Å; N155-S159 PolarHBondContact OD1-O 2.98Å; T156-S159 CarbonylContact C-O 3.51Å; T156-S159 WeakPolarHBondContact CA-O 3.44Å; T156-S159 WeakPolarHBondContact CB-O 3.43Å; T156-S159 PolarHBondContact N-O 3.35Å; T156-S159 CarbonylContact O-C 3.58Å; T156-S159 PolarHBondContact O-N 3.49Å; T156-S159 VanDerWaalsContact O-N 3.16Å; T156-S159 VanDerWaalsContact OG1-C 3.27Å; T156-S159 PolarHBondContact OG1-O 2.84Å
160F90.4Very high89.7Confident54 Ų5471.7 Ų71.724%0.23736%0.36CS..EExtended strand (participates in β ladder)trans-111.1162.7164.561.5-76.6000111.2E139 H145 C162E139-F160 HydrophobicContact CB-CB 4.02Å; E139-F160 HydrophobicContact CB-CD1 3.71Å; E139-F160 HydrophobicContact CB-CG 4.03Å; E139-F160 HydrophobicContact CG-CB 4.47Å; E139-F160 HydrophobicContact CG-CD1 3.66Å; E139-F160 HydrophobicContact CG-CE1 4.4Å; E139-F160 HydrophobicContact CG-CG 4.4Å; E139-F160 PolarHBondContact OE2-N 3.12Å; H145-F160 HydrophobicContact CB-CD1 4.4Å; H145-F160 HydrophobicContact CB-CD2 3.74Å; H145-F160 HydrophobicContact CB-CE1 4.37Å; H145-F160 HydrophobicContact CB-CE2 3.7Å; H145-F160 HydrophobicContact CB-CG 4.11Å; H145-F160 HydrophobicContact CB-CZ 4.04Å; F160-C162 VanDerWaalsContact CD2-SG 3.59Å; F160-C162 WeakPolarHBondContact CE2-SG 3.42Å
161T89.9Confident89.9Confident57 Ų5770.8 Ų70.835%0.3536%0.359SS..EExtended strand (participates in β ladder)trans-125.5139.6164.1-171.10000109.9Y154 T156Y154-T161 PolarHBondContact N-O 2.82Å; Y154-T161 PolarHBondContact O-N 2.77Å; T156-T161 HydrophobicContact CG2-CG2 3.94Å
162C90Very high89.7Confident16 Ų1672.3 Ų72.311%0.10838%0.38CS..EExtended strand (participates in β ladder)trans-103.6134.5175.4-51.80000107.8C147 Q151 T152 F160 R170C147-C162 WeakPolarHBondContact CA-SG 3.37Å; C147-C162 HydrophobicContact CB-CB 3.76Å; C147-C162 WeakPolarHBondContact CB-SG 3.29Å; C147-C162 WeakPolarHBondContact SG-CB 3.5Å; C147-C162 CovalentContact SG-SG 2.02Å; C147-C162 PolarHBondContact SG-SG 2.77Å; Q151-C162 HydrophobicContact CB-CB 4.32Å; T152-C162 WeakPolarHBondContact O-CA 3.36Å; F160-C162 VanDerWaalsContact CD2-SG 3.59Å; F160-C162 WeakPolarHBondContact CE2-SG 3.42Å; C162-R170 PolarHBondContact O-NH2 3.03Å
163Q90.7Very high89.3Confident95 Ų9574 Ų7444%0.44439%0.387SS..EExtended strand (participates in β ladder)trans-124.5140.7176.9-56.7-179.1-400110.6Q151 T152 Y154Q151-Q163 WeakPolarHBondContact CA-O 3.38Å; T152-Q163 PolarHBondContact N-O 3.34Å; T152-Q163 PolarHBondContact O-N 2.83Å; Y154-Q163 HydrophobicContact CD2-CB 4.11Å; Y154-Q163 HydrophobicContact CD2-CG 3.79Å; Y154-Q163 HydrophobicContact CE2-CB 3.81Å; Y154-Q163 HydrophobicContact CE2-CG 3.92Å
164C91.6Very high89Confident26 Ų2676.4 Ų76.418%0.17640%0.403CS..PPolyproline II helixtrans-75.5159.8170.4-73.60000110.5C175C164-C175 WeakPolarHBondContact CA-SG 3.38Å; C164-C175 HydrophobicContact CB-CB 3.79Å; C164-C175 WeakPolarHBondContact CB-SG 3.44Å; C164-C175 WeakPolarHBondContact SG-CA 3.06Å; C164-C175 WeakPolarHBondContact SG-CB 3.27Å; C164-C175 CovalentContact SG-SG 2.05Å; C164-C175 PolarHBondContact SG-SG 2.89Å
165P89.1Confident88.9Confident61 Ų6171.8 Ų71.840%0.39639%0.387SS..PPolyproline II helixtrans-53.6157.6170.5-23.934.5000112.1E150 G167 Y168E150-P165 WeakPolarHBondContact O-CD 3.39Å; P165-G167 PolarHBondContact O-N 3.05Å; P165-Y168 HydrophobicContact CB-CD2 3.97Å; P165-Y168 HydrophobicContact CB-CE2 4.43Å; P165-Y168 WeakPolarHBondContact O-CB 3.47Å; P165-Y168 PolarHBondContact O-N 3.12Å; P165-Y168 VanDerWaalsContact O-N 3.11Å
166L87.3Confident88.9Confident172 Ų17271.8 Ų71.890%0.90139%0.388SS*.THydrogen-bonded Turntrans-55.9138.2175.1-65.5174.6000110.1Y168L166-Y168 VanDerWaalsContact C-N 3.35Å; L166-Y168 WeakPolarHBondContact O-CD2 3.42Å
167G87.4Confident89Confident21 Ų2170.2 Ų70.222%0.21638%0.378CS..THydrogen-bonded Turntrans86-3-175.200000115P165 R178P165-G167 PolarHBondContact O-N 3.05Å; G167-R178 WeakPolarHBondContact O-CB 3.07Å; G167-R178 PolarHBondContact O-N 2.91Å
168Y91.3Very high89.1Confident59 Ų5965.8 Ų65.823%0.23136%0.361CS..EExtended strand (participates in β ladder)trans-113.1155.9179-67-103.9000111.8P165 L166 C175 V176 D177 L195 G196P165-Y168 HydrophobicContact CB-CD2 3.97Å; P165-Y168 HydrophobicContact CB-CE2 4.43Å; P165-Y168 WeakPolarHBondContact O-CB 3.47Å; P165-Y168 PolarHBondContact O-N 3.12Å; P165-Y168 VanDerWaalsContact O-N 3.11Å; L166-Y168 VanDerWaalsContact C-N 3.35Å; L166-Y168 WeakPolarHBondContact O-CD2 3.42Å; Y168-C175 HydrophobicContact CD1-CB 4.13Å; Y168-C175 HydrophobicContact CG-CB 4.39Å; Y168-V176 CarbonylContact C-O 3.3Å; Y168-V176 WeakPolarHBondContact CA-O 3.41Å; Y168-V176 VanDerWaalsContact CD1-C 3.47Å; Y168-D177 HydrophobicContact CD1-CB 4.2Å; Y168-D177 VanDerWaalsContact CD1-N 3.33Å; Y168-D177 HydrophobicContact CE1-CB 3.87Å; Y168-L195 WeakPolarHBondContact OH-CB 3.28Å; Y168-G196 PolarHBondContact OH-N 2.96Å
169Y89.8Confident89.3Confident101 Ų10167.9 Ų67.940%0.39637%0.367SS..EExtended strand (participates in β ladder)trans-121152.9168.273.8-84000111.2N171 V176 D177 R178Y169-N171 HydrophobicContact CE2-CB 4.35Å; Y169-N171 PolarHBondContact O-N 3.49Å; Y169-V176 HydrophobicContact CD1-CB 4.5Å; Y169-V176 WeakPolarHBondContact CD1-O 3.09Å; Y169-V176 HydrophobicContact CE1-CB 3.95Å; Y169-V176 HydrophobicContact CE1-CG1 3.93Å; Y169-V176 HydrophobicContact CE2-CB 4.48Å; Y169-V176 PolarHBondContact N-O 2.82Å; Y169-V176 PolarHBondContact O-N 2.78Å; Y169-D177 WeakPolarHBondContact CE1-O 3.39Å; Y169-R178 HydrophobicContact CD1-CB 4.21Å
170R88.1Confident89.4Confident104 Ų10466.7 Ų66.739%0.39236%0.356SS..EExtended strand (participates in β ladder)trans-75.4124.9-179.2176.7-174.4-67.4-73.6-23.3110.1Q151 C162 G172Q151-R170 VanDerWaalsContact CD-NH1 3.26Å; Q151-R170 VanDerWaalsContact OE1-CZ 3.27Å; C162-R170 PolarHBondContact O-NH2 3.03Å; R170-G172 VanDerWaalsContact CG-O 3.26Å; R170-G172 WeakPolarHBondContact CG-O 3.36Å
171N87.6Confident89.4Confident103 Ų10365.6 Ų65.655%0.55135%0.354SS*.EExtended strand (participates in β ladder)trans-124.890.4166.2-17112.5000109.1Y169 D173 S174 V176Y169-N171 HydrophobicContact CE2-CB 4.35Å; Y169-N171 PolarHBondContact O-N 3.49Å; N171-D173 PolarHBondContact O-N 3.09Å; N171-S174 PolarHBondContact N-O 3.33Å; N171-S174 PolarHBondContact O-N 2.95Å; N171-V176 HydrophobicContact CB-CG2 3.75Å
172G84.6Confident89.4Confident50 Ų5066.5 Ų66.552%0.51537%0.367SS..THydrogen-bonded Turntrans65.3-123.1-169.500000112.1R170R170-G172 VanDerWaalsContact CG-O 3.26Å; R170-G172 WeakPolarHBondContact CG-O 3.36Å
173D81.8Confident89.2Confident107 Ų10770.5 Ų70.557%0.57239%0.387SS*.THydrogen-bonded Turntrans-91.3-5.5179.1-61.3-30.4000113.2G148 Q151 N171G148-D173 WeakPolarHBondContact CA-O 3.1Å; Q151-D173 PolarHBondContact NE2-O 3Å; N171-D173 PolarHBondContact O-N 3.09Å
174S85.9Confident88.7Confident73 Ų7371.6 Ų71.651%0.5141%0.405SS..EExtended strand (participates in β ladder)trans-103.3150.5179.8-59.50000111.8N171N171-S174 PolarHBondContact N-O 3.33Å; N171-S174 PolarHBondContact O-N 2.95Å
175C90.9Very high88.3Confident12 Ų1273.7 Ų73.78%0.08141%0.412CS..EExtended strand (participates in β ladder)trans-97.3120.1170.6-66.80000108.8Q151 C164 Y168Q151-C175 WeakPolarHBondContact CG-SG 3.43Å; C164-C175 WeakPolarHBondContact CA-SG 3.38Å; C164-C175 HydrophobicContact CB-CB 3.79Å; C164-C175 WeakPolarHBondContact CB-SG 3.44Å; C164-C175 WeakPolarHBondContact SG-CA 3.06Å; C164-C175 WeakPolarHBondContact SG-CB 3.27Å; C164-C175 CovalentContact SG-SG 2.05Å; C164-C175 PolarHBondContact SG-SG 2.89Å; Y168-C175 HydrophobicContact CD1-CB 4.13Å; Y168-C175 HydrophobicContact CG-CB 4.39Å
176V90.8Very high88.1Confident52 Ų5279.4 Ų79.432%0.31543%0.427SS..EExtended strand (participates in β ladder)trans-105.8134.2177.8-177.80000108Y168 Y169 N171 R178Y168-V176 CarbonylContact C-O 3.3Å; Y168-V176 WeakPolarHBondContact CA-O 3.41Å; Y168-V176 VanDerWaalsContact CD1-C 3.47Å; Y169-V176 HydrophobicContact CD1-CB 4.5Å; Y169-V176 WeakPolarHBondContact CD1-O 3.09Å; Y169-V176 HydrophobicContact CE1-CB 3.95Å; Y169-V176 HydrophobicContact CE1-CG1 3.93Å; Y169-V176 HydrophobicContact CE2-CB 4.48Å; Y169-V176 PolarHBondContact N-O 2.82Å; Y169-V176 PolarHBondContact O-N 2.78Å; N171-V176 HydrophobicContact CB-CG2 3.75Å; V176-R178 PolarHBondContact O-N 3Å
177D93.4Very high88.1Confident26 Ų2671.8 Ų71.814%0.13939%0.388CS..EExtended strand (participates in β ladder)trans-55.9134.5176.7-177.361.3000110.5Y168 Y169 D179 N193 L195 G196Y168-D177 HydrophobicContact CD1-CB 4.2Å; Y168-D177 VanDerWaalsContact CD1-N 3.33Å; Y168-D177 HydrophobicContact CE1-CB 3.87Å; Y169-D177 WeakPolarHBondContact CE1-O 3.39Å; D177-D179 PolarHBondContact O-N 2.93Å; D177-N193 PolarHBondContact OD2-ND2 3.47Å; D177-L195 HydrophobicContact CB-CD2 4.21Å; D177-G196 PolarHBondContact OD1-N 2.8Å
178R92.7Very high88.1Confident113 Ų11375.2 Ų75.243%0.42640%0.4SS..  trans-86.299.1176.4-178.1-174-58-101.5-4.6107.4G167 Y169 V176 E180 L183G167-R178 WeakPolarHBondContact O-CB 3.07Å; G167-R178 PolarHBondContact O-N 2.91Å; Y169-R178 HydrophobicContact CD1-CB 4.21Å; V176-R178 PolarHBondContact O-N 3Å; R178-E180 PolarHBondContact O-N 2.76Å; R178-E180 VanDerWaalsContact O-OE2 3.1Å; R178-L183 HydrophobicContact CG-CD1 3.96Å
179D91.8Very high88Confident67 Ų6774.6 Ų74.636%0.35840%0.399SS..  trans-62.798175-171.9-20000110.6D177 C181 A182 L183 N193D177-D179 PolarHBondContact O-N 2.93Å; D179-C181 PolarHBondContact O-N 3.42Å; D179-C181 WeakPolarHBondContact OD1-CA 3.43Å; D179-C181 WeakPolarHBondContact OD1-CB 3.33Å; D179-C181 PolarHBondContact OD1-N 3.04Å; D179-A182 HydrophobicContact CB-CB 3.92Å; D179-A182 PolarHBondContact O-N 3.26Å; D179-A182 PolarHBondContact OD1-N 2.97Å; D179-L183 WeakPolarHBondContact O-CG 3.35Å; D179-N193 WeakPolarHBondContact CA-OD1 3.44Å
180E92.1Very high88Confident32 Ų3271.1 Ų71.115%0.1539%0.394CS..SBendtrans-70.8-21.6-179.7-65.896.6176.700111.9R178 L183 N193 Y198R178-E180 PolarHBondContact O-N 2.76Å; R178-E180 VanDerWaalsContact O-OE2 3.1Å; E180-L183 CarbonylContact O-C 3.15Å; E180-L183 PolarHBondContact O-N 2.83Å; E180-N193 PolarHBondContact OE2-OD1 2.75Å; E180-Y198 HydrophobicContact CB-CD1 3.35Å; E180-Y198 HydrophobicContact CB-CD2 4.44Å; E180-Y198 HydrophobicContact CB-CE1 3.81Å; E180-Y198 HydrophobicContact CB-CG 3.7Å; E180-Y198 HydrophobicContact CG-CD1 3.52Å; E180-Y198 HydrophobicContact CG-CE1 3.9Å; E180-Y198 HydrophobicContact CG-CG 4.33Å; E180-Y198 WeakPolarHBondContact OE2-CD1 3.46Å
181C91.2Very high88.3Confident31 Ų3167.6 Ų67.621%0.20938%0.384CS..SBendtrans-79.9-28177.6-56.20000112.8D179 L183 C191 V192 N193D179-C181 PolarHBondContact O-N 3.42Å; D179-C181 WeakPolarHBondContact OD1-CA 3.43Å; D179-C181 WeakPolarHBondContact OD1-CB 3.33Å; D179-C181 PolarHBondContact OD1-N 3.04Å; C181-L183 PolarHBondContact O-N 3Å; C181-C191 WeakPolarHBondContact CA-SG 3.3Å; C181-C191 HydrophobicContact CB-CB 3.73Å; C181-C191 WeakPolarHBondContact CB-SG 3.17Å; C181-C191 WeakPolarHBondContact SG-CB 3.44Å; C181-C191 PolarHBondContact SG-O 3Å; C181-C191 CovalentContact SG-SG 2.04Å; C181-C191 PolarHBondContact SG-SG 3Å; C181-V192 PolarHBondContact SG-N 2.8Å; C181-N193 HydrophobicContact CB-CB 4.39Å; C181-N193 PolarHBondContact SG-N 3.07Å
182A90.1Very high88.6Confident76 Ų7664.7 Ų64.763%0.62837%0.371SS*.SBendtrans-75.3-9.8169.100000112.9D179D179-A182 HydrophobicContact CB-CB 3.92Å; D179-A182 PolarHBondContact O-N 3.26Å; D179-A182 PolarHBondContact OD1-N 2.97Å
183L85.3Confident89Confident100 Ų10064.8 Ų64.852%0.52436%0.359SS..SBendtrans-103.9-178174.5-61.9174.6000110.8R178 D179 E180 C181 H185R178-L183 HydrophobicContact CG-CD1 3.96Å; D179-L183 WeakPolarHBondContact O-CG 3.35Å; E180-L183 CarbonylContact O-C 3.15Å; E180-L183 PolarHBondContact O-N 2.83Å; C181-L183 PolarHBondContact O-N 3Å; L183-H185 PolarHBondContact O-N 3.19Å
184S80.5Confident89.6Confident118 Ų11862.1 Ų62.183%0.82535%0.347SS*.  trans-69.296.4172.1-175.90000109.8
185H83.3Confident89.8Confident69 Ų6965.5 Ų65.532%0.31936%0.359SS..  trans-86159.5177.560.174.5000112.8L183 C187 C191L183-H185 PolarHBondContact O-N 3.19Å; H185-C187 PolarHBondContact ND1-O 3.38Å; H185-C191 HydrophobicContact CB-CB 4.46Å
186Y85.3Confident89.7Confident182 Ų18265.9 Ų65.971%0.71436%0.364SS*.  trans-94.2-1.7178.3-59.5-74.8000113.9M188Y186-M188 PolarHBondContact O-N 2.75Å
187C87Confident89.8Confident11 Ų1166.3 Ų66.37%0.07437%0.369CS..  trans-62.4131.1177.8-58.90000111.4H185 G190 C191 C200H185-C187 PolarHBondContact ND1-O 3.38Å; C187-G190 WeakPolarHBondContact CB-O 3.41Å; C187-C191 HydrophobicContact CB-CB 4.23Å; C187-C200 WeakPolarHBondContact CA-SG 3.46Å; C187-C200 HydrophobicContact CB-CB 3.63Å; C187-C200 WeakPolarHBondContact CB-SG 3.4Å; C187-C200 WeakPolarHBondContact SG-CA 3.25Å; C187-C200 WeakPolarHBondContact SG-CB 3.19Å; C187-C200 CovalentContact SG-SG 2.03Å; C187-C200 PolarHBondContact SG-SG 3.44Å
188M87.4Confident89.7Confident93 Ų9367 Ų6746%0.45837%0.371SS..SBendtrans-70.3-34.4178.2-166.3-175.497.700112.6Y186 Y213 C215Y186-M188 PolarHBondContact O-N 2.75Å; M188-Y213 WeakPolarHBondContact CB-O 3.38Å; M188-Y213 PolarHBondContact N-O 3.03Å; M188-C215 HydrophobicContact CE-CB 3.53Å; M188-C215 VanDerWaalsContact CE-O 3.24Å; M188-C215 WeakPolarHBondContact CE-O 3.37Å; M188-C215 HydrophobicContact SD-CB 4.46Å; M188-C215 PolarHBondContact SD-N 3.4Å
189H88.7Confident89.6Confident47 Ų4766.8 Ų66.822%0.21837%0.37CS..SBendtrans-117-115.7177.4-68.5160.2000110E201 N203 Y206 C215H189-E201 VanDerWaalsContact CB-O 3.28Å; H189-E201 WeakPolarHBondContact CB-O 3.41Å; H189-N203 PolarHBondContact ND1-N 3Å; H189-Y206 AromaticContact CE1-CD1 3.84Å; H189-Y206 AromaticContact CE1-CD2 3.81Å; H189-Y206 AromaticContact CE1-CG 3.68Å; H189-C215 PolarHBondContact ND1-SG 2.8Å
190G89.2Confident89.7Confident28 Ų2863.9 Ų63.929%0.28936%0.355SS..EExtended strand (participates in β ladder)trans-80150.1-178.200000112.8C187 C200 E201C187-G190 WeakPolarHBondContact CB-O 3.41Å; G190-C200 CarbonylContact O-C 3.59Å; G190-C200 WeakPolarHBondContact O-CA 3.46Å; G190-E201 PolarHBondContact N-O 2.97Å; G190-E201 PolarHBondContact O-N 3.41Å
191C93.8Very high89.8Confident29 Ų2966.7 Ų66.720%0.19637%0.368CS..EExtended strand (participates in β ladder)trans-120.2130.2171.8-177.10000108.6C181 H185 C187 Y198C181-C191 WeakPolarHBondContact CA-SG 3.3Å; C181-C191 HydrophobicContact CB-CB 3.73Å; C181-C191 WeakPolarHBondContact CB-SG 3.17Å; C181-C191 WeakPolarHBondContact SG-CB 3.44Å; C181-C191 PolarHBondContact SG-O 3Å; C181-C191 CovalentContact SG-SG 2.04Å; C181-C191 PolarHBondContact SG-SG 3Å; H185-C191 HydrophobicContact CB-CB 4.46Å; C187-C191 HydrophobicContact CB-CB 4.23Å; C191-Y198 VanDerWaalsContact SG-CD2 3.52Å
192V94.7Very high89.8Confident43 Ų4366.9 Ų66.926%0.26137%0.37SS..EExtended strand (participates in β ladder)trans-117.7117.1174.1-178.70000109.1C181 Y198 Y199 E201C181-V192 PolarHBondContact SG-N 2.8Å; V192-Y198 WeakPolarHBondContact O-CA 3.3Å; V192-Y198 WeakPolarHBondContact O-CB 3.41Å; V192-Y199 HydrophobicContact CB-CD1 4.16Å; V192-Y199 HydrophobicContact CB-CE1 3.65Å; V192-Y199 HydrophobicContact CB-CE2 4.08Å; V192-Y199 HydrophobicContact CG1-CD1 4.41Å; V192-Y199 HydrophobicContact CG1-CE1 3.57Å; V192-Y199 HydrophobicContact CG2-CE2 4.26Å; V192-Y199 PolarHBondContact N-O 3.17Å; V192-Y199 PolarHBondContact O-N 3.45Å; V192-E201 HydrophobicContact CG2-CG 3.86Å
193N93.9Very high89.8Confident52 Ų5267.3 Ų67.328%0.27836%0.361SS..EExtended strand (participates in β ladder)trans-76.9137178.3-170.353.9000110.5D177 D179 E180 C181D177-N193 PolarHBondContact OD2-ND2 3.47Å; D179-N193 WeakPolarHBondContact CA-OD1 3.44Å; E180-N193 PolarHBondContact OE2-OD1 2.75Å; C181-N193 HydrophobicContact CB-CB 4.39Å; C181-N193 PolarHBondContact SG-N 3.07Å
194T93.1Very high89.9Confident51 Ų5168.2 Ų68.231%0.31337%0.373SS..EExtended strand (participates in β ladder)trans-129.8162.9177.660.90000109.6G196 S197 Y199T194-G196 PolarHBondContact O-N 3.31Å; T194-S197 CarbonylContact C-O 3.6Å; T194-S197 VanDerWaalsContact C-O 3.22Å; T194-S197 VanDerWaalsContact CA-O 3.27Å; T194-S197 WeakPolarHBondContact CA-O 3.16Å; T194-S197 WeakPolarHBondContact CB-O 3.32Å; T194-S197 PolarHBondContact N-O 3.07Å; T194-S197 PolarHBondContact O-N 3.21Å; T194-S197 PolarHBondContact OG1-O 3.25Å; T194-Y199 HydrophobicContact CG2-CD1 3.66Å; T194-Y199 HydrophobicContact CG2-CE1 3.66Å
195L91.8Very high90.2Very high144 Ų14463.6 Ų63.675%0.75434%0.344SS*.THydrogen-bonded Turntrans-65.9111.7179.3-70.2178.1000110.8Y168 D177Y168-L195 WeakPolarHBondContact OH-CB 3.28Å; D177-L195 HydrophobicContact CB-CD2 4.21Å
196G88.6Confident90.5Very high19 Ų1963 Ų6320%0.19634%0.339CS..THydrogen-bonded Turntrans84.73.818000000115.3Y168 D177 T194Y168-G196 PolarHBondContact OH-N 2.96Å; D177-G196 PolarHBondContact OD1-N 2.8Å; T194-G196 PolarHBondContact O-N 3.31Å
197S91.5Very high90.8Very high61 Ų6160.1 Ų60.143%0.42733%0.331SS..EExtended strand (participates in β ladder)trans-169.1-175.8-179.8-156.40000112.2T194T194-S197 CarbonylContact C-O 3.6Å; T194-S197 VanDerWaalsContact C-O 3.22Å; T194-S197 VanDerWaalsContact CA-O 3.27Å; T194-S197 WeakPolarHBondContact CA-O 3.16Å; T194-S197 WeakPolarHBondContact CB-O 3.32Å; T194-S197 PolarHBondContact N-O 3.07Å; T194-S197 PolarHBondContact O-N 3.21Å; T194-S197 PolarHBondContact OG1-O 3.25Å
198Y91.7Very high91.1Very high42 Ų4263 Ų6317%0.16535%0.345CS..EExtended strand (participates in β ladder)trans-142.5162.8171.171-73.1000109.7E180 C191 V192 Y213E180-Y198 HydrophobicContact CB-CD1 3.35Å; E180-Y198 HydrophobicContact CB-CD2 4.44Å; E180-Y198 HydrophobicContact CB-CE1 3.81Å; E180-Y198 HydrophobicContact CB-CG 3.7Å; E180-Y198 HydrophobicContact CG-CD1 3.52Å; E180-Y198 HydrophobicContact CG-CE1 3.9Å; E180-Y198 HydrophobicContact CG-CG 4.33Å; E180-Y198 WeakPolarHBondContact OE2-CD1 3.46Å; C191-Y198 VanDerWaalsContact SG-CD2 3.52Å; V192-Y198 WeakPolarHBondContact O-CA 3.3Å; V192-Y198 WeakPolarHBondContact O-CB 3.41Å; Y198-Y213 HydrophobicContact CE2-CE1 4.19Å; Y198-Y213 AromaticContact CZ-CE1 3.92Å; Y198-Y213 VanDerWaalsContact OH-CE1 3.31Å; Y198-Y213 WeakPolarHBondContact OH-CE1 3Å
199Y91.8Very high91.2Very high107 Ų10759.3 Ų59.342%0.4233%0.329SS..EExtended strand (participates in β ladder)trans-135.1156.1169.870.8-86.5000110.9V192 T194 E201V192-Y199 HydrophobicContact CB-CD1 4.16Å; V192-Y199 HydrophobicContact CB-CE1 3.65Å; V192-Y199 HydrophobicContact CB-CE2 4.08Å; V192-Y199 HydrophobicContact CG1-CD1 4.41Å; V192-Y199 HydrophobicContact CG1-CE1 3.57Å; V192-Y199 HydrophobicContact CG2-CE2 4.26Å; V192-Y199 PolarHBondContact N-O 3.17Å; V192-Y199 PolarHBondContact O-N 3.45Å; T194-Y199 HydrophobicContact CG2-CD1 3.66Å; T194-Y199 HydrophobicContact CG2-CE1 3.66Å; Y199-E201 HydrophobicContact CD2-CG 4Å; Y199-E201 HydrophobicContact CE2-CG 3.41Å; Y199-E201 VanDerWaalsContact CE2-CG 3.41Å; Y199-E201 WeakPolarHBondContact CE2-OE1 3.45Å; Y199-E201 PolarHBondContact OH-OE1 3.04Å
200C92.2Very high91.3Very high6 Ų666.5 Ų66.54%0.04136%0.363CS..EExtended strand (participates in β ladder)trans-94.9139.1-180-55.40000110.6C187 G190 L208C187-C200 WeakPolarHBondContact CA-SG 3.46Å; C187-C200 HydrophobicContact CB-CB 3.63Å; C187-C200 WeakPolarHBondContact CB-SG 3.4Å; C187-C200 WeakPolarHBondContact SG-CA 3.25Å; C187-C200 WeakPolarHBondContact SG-CB 3.19Å; C187-C200 CovalentContact SG-SG 2.03Å; C187-C200 PolarHBondContact SG-SG 3.44Å; G190-C200 CarbonylContact O-C 3.59Å; G190-C200 WeakPolarHBondContact O-CA 3.46Å; C200-L208 HydrophobicContact CB-CD1 4.05Å
201E94.1Very high91.2Very high92 Ų9269.1 Ų69.143%0.4337%0.37SS..EExtended strand (participates in β ladder)trans-113.6143.9173.5-72.1-173169.400110H189 G190 V192 Y199H189-E201 VanDerWaalsContact CB-O 3.28Å; H189-E201 WeakPolarHBondContact CB-O 3.41Å; G190-E201 PolarHBondContact N-O 2.97Å; G190-E201 PolarHBondContact O-N 3.41Å; V192-E201 HydrophobicContact CG2-CG 3.86Å; Y199-E201 HydrophobicContact CD2-CG 4Å; Y199-E201 HydrophobicContact CE2-CG 3.41Å; Y199-E201 VanDerWaalsContact CE2-CG 3.41Å; Y199-E201 WeakPolarHBondContact CE2-OE1 3.45Å; Y199-E201 PolarHBondContact OH-OE1 3.04Å
202C91.8Very high90.9Very high35 Ų3572.6 Ų72.624%0.23639%0.387CS..PPolyproline II helixtrans-99.8141.1179.3-62.80000110.5L208 C215C202-L208 VanDerWaalsContact SG-CA 3.59Å; C202-C215 WeakPolarHBondContact CA-SG 3.48Å; C202-C215 HydrophobicContact CB-CB 3.74Å; C202-C215 WeakPolarHBondContact CB-SG 3.22Å; C202-C215 WeakPolarHBondContact SG-CB 3.42Å; C202-C215 CovalentContact SG-SG 2.03Å; C202-C215 PolarHBondContact SG-SG 3.07Å
203N89.8Confident90.5Very high85 Ų8575.4 Ų75.446%0.45539%0.393SS..PPolyproline II helixtrans-56.9156.7170-67-17.1000111H189 Y206H189-N203 PolarHBondContact ND1-N 3Å; N203-Y206 HydrophobicContact CB-CD2 4.3Å; N203-Y206 WeakPolarHBondContact O-CB 3.22Å; N203-Y206 PolarHBondContact O-N 3.45Å; N203-Y206 VanDerWaalsContact O-N 3.15Å
204P88.4Confident90.1Very high118 Ų11875 Ų7577%0.76640%0.395SS*.THydrogen-bonded Turntrans-51.2141.3173.6-25.634.6000112Y206P204-Y206 VanDerWaalsContact C-N 3.35Å; P204-Y206 WeakPolarHBondContact O-CD2 3.36Å
205G86.9Confident89.9Confident21 Ų2173.1 Ų73.122%0.21638%0.383CS..THydrogen-bonded Turntrans85.32.1-173.500000114.4V218G205-V218 PolarHBondContact O-N 3.03Å
206Y89.8Confident89.8Confident57 Ų5769.2 Ų69.222%0.22437%0.365CS..EExtended strand (participates in β ladder)trans-131.3148.6178.9-60-101.8000112H189 N203 P204 C215 T216 D217 I235 G236H189-Y206 AromaticContact CE1-CD1 3.84Å; H189-Y206 AromaticContact CE1-CD2 3.81Å; H189-Y206 AromaticContact CE1-CG 3.68Å; N203-Y206 HydrophobicContact CB-CD2 4.3Å; N203-Y206 WeakPolarHBondContact O-CB 3.22Å; N203-Y206 PolarHBondContact O-N 3.45Å; N203-Y206 VanDerWaalsContact O-N 3.15Å; P204-Y206 VanDerWaalsContact C-N 3.35Å; P204-Y206 WeakPolarHBondContact O-CD2 3.36Å; Y206-C215 HydrophobicContact CD1-CB 4.37Å; Y206-C215 HydrophobicContact CG-CB 4.45Å; Y206-T216 CarbonylContact C-O 3.58Å; Y206-T216 WeakPolarHBondContact CA-O 3.47Å; Y206-D217 HydrophobicContact CE1-CB 4.48Å; Y206-I235 HydrophobicContact CE1-CG2 4.25Å; Y206-I235 WeakPolarHBondContact OH-CG2 3.44Å; Y206-G236 VanDerWaalsContact CZ-CA 3.48Å; Y206-G236 PolarHBondContact OH-N 2.8Å
207K91.3Very high89.9Confident121 Ų12170.3 Ų70.353%0.52637%0.367SS..EExtended strand (participates in β ladder)trans-116149.5173.864.9-175.8175.1-169.50111.1A209 C215 T216 V218K207-A209 PolarHBondContact O-N 3.41Å; K207-C215 CarbonylContact O-C 3.51Å; K207-C215 WeakPolarHBondContact O-CA 3.31Å; K207-T216 WeakPolarHBondContact CG-OG1 3.34Å; K207-T216 PolarHBondContact N-O 3.42Å; K207-T216 PolarHBondContact O-N 3.06Å; K207-T216 PolarHBondContact O-OG1 3.39Å; K207-V218 HydrophobicContact CB-CG2 3.83Å; K207-V218 HydrophobicContact CD-CG2 4.23Å; K207-V218 HydrophobicContact CG-CG2 3.98Å
208L92.5Very high89.8Confident71 Ų7169.3 Ų69.337%0.37236%0.358SS..EExtended strand (participates in β ladder)trans-67.1127.2177.6-164.268.3000109.9C200 C202 N212C200-L208 HydrophobicContact CB-CD1 4.05Å; C202-L208 VanDerWaalsContact SG-CA 3.59Å; L208-N212 HydrophobicContact CD2-CB 4.22Å
209A90.5Very high89.7Confident16 Ų1669.4 Ų69.413%0.13236%0.361CS..  trans-71.5165.5177.100000111K207 N211 N212 S214 T216K207-A209 PolarHBondContact O-N 3.41Å; A209-N211 PolarHBondContact O-N 2.88Å; A209-N212 PolarHBondContact O-N 3.35Å; A209-S214 VanDerWaalsContact CB-O 3.23Å; A209-S214 WeakPolarHBondContact CB-O 3.31Å; A209-S214 PolarHBondContact N-O 2.91Å; A209-T216 HydrophobicContact CB-CG2 4.09Å
210H89.5Confident89.7Confident199 Ų19965.6 Ų65.692%0.92135%0.347SS*.THydrogen-bonded Turntrans-57.5-19.2179.9-6783.4000114.5N212H210-N212 VanDerWaalsContact C-N 3.29Å
211N86.6Confident89.5Confident83 Ų8367.4 Ų67.444%0.44436%0.36SS..THydrogen-bonded Turntrans-82.4-4177.268.64.1000113.4A209 Y213 S214A209-N211 PolarHBondContact O-N 2.88Å; N211-Y213 WeakPolarHBondContact O-CD2 3.48Å; N211-Y213 VanDerWaalsContact O-CE2 3.3Å; N211-Y213 WeakPolarHBondContact O-CE2 3.43Å; N211-Y213 PolarHBondContact O-N 3.39Å; N211-Y213 VanDerWaalsContact O-N 3.16Å; N211-Y213 PolarHBondContact OD1-N 2.95Å; N211-Y213 VanDerWaalsContact OD1-N 3.08Å; N211-S214 WeakPolarHBondContact ND2-CB 3.3Å; N211-S214 PolarHBondContact ND2-OG 2.93Å; N211-S214 PolarHBondContact OD1-N 2.8Å
212N88.1Confident89.3Confident102 Ų10270.7 Ų70.755%0.54538%0.375SS..SBendtrans61.99.9-178-60.6-20.3000116.3L208 A209 H210L208-N212 HydrophobicContact CD2-CB 4.22Å; A209-N212 PolarHBondContact O-N 3.35Å; H210-N212 VanDerWaalsContact C-N 3.29Å
213Y86.1Confident88.7Confident102 Ų10272.6 Ų72.640%0.439%0.386SS..SBendtrans-125-34-179.3-59.9-70.7000113.4M188 Y198 N211M188-Y213 WeakPolarHBondContact CB-O 3.38Å; M188-Y213 PolarHBondContact N-O 3.03Å; Y198-Y213 HydrophobicContact CE2-CE1 4.19Å; Y198-Y213 AromaticContact CZ-CE1 3.92Å; Y198-Y213 VanDerWaalsContact OH-CE1 3.31Å; Y198-Y213 WeakPolarHBondContact OH-CE1 3Å; N211-Y213 WeakPolarHBondContact O-CD2 3.48Å; N211-Y213 VanDerWaalsContact O-CE2 3.3Å; N211-Y213 WeakPolarHBondContact O-CE2 3.43Å; N211-Y213 PolarHBondContact O-N 3.39Å; N211-Y213 VanDerWaalsContact O-N 3.16Å; N211-Y213 PolarHBondContact OD1-N 2.95Å; N211-Y213 VanDerWaalsContact OD1-N 3.08Å
214S85.9Confident87.5Confident44 Ų4477.4 Ų77.431%0.30841%0.405SS..  trans-92.8149.4-179.9-55.80000110.5A209 N211A209-S214 VanDerWaalsContact CB-O 3.23Å; A209-S214 WeakPolarHBondContact CB-O 3.31Å; A209-S214 PolarHBondContact N-O 2.91Å; N211-S214 WeakPolarHBondContact ND2-CB 3.3Å; N211-S214 PolarHBondContact ND2-OG 2.93Å; N211-S214 PolarHBondContact OD1-N 2.8Å
215C89.6Confident86.3Confident10 Ų1077.2 Ų77.27%0.06841%0.407CS..EExtended strand (participates in β ladder)trans-108.4135.1171.3-56.60000109.4M188 H189 C202 Y206 K207M188-C215 HydrophobicContact CE-CB 3.53Å; M188-C215 VanDerWaalsContact CE-O 3.24Å; M188-C215 WeakPolarHBondContact CE-O 3.37Å; M188-C215 HydrophobicContact SD-CB 4.46Å; M188-C215 PolarHBondContact SD-N 3.4Å; H189-C215 PolarHBondContact ND1-SG 2.8Å; C202-C215 WeakPolarHBondContact CA-SG 3.48Å; C202-C215 HydrophobicContact CB-CB 3.74Å; C202-C215 WeakPolarHBondContact CB-SG 3.22Å; C202-C215 WeakPolarHBondContact SG-CB 3.42Å; C202-C215 CovalentContact SG-SG 2.03Å; C202-C215 PolarHBondContact SG-SG 3.07Å; Y206-C215 HydrophobicContact CD1-CB 4.37Å; Y206-C215 HydrophobicContact CG-CB 4.45Å; K207-C215 CarbonylContact O-C 3.51Å; K207-C215 WeakPolarHBondContact O-CA 3.31Å
216T89.6Confident86.1Confident62 Ų6277.7 Ų77.738%0.3841%0.406SS..EExtended strand (participates in β ladder)trans-108.1142.7172.9520000108.8Y206 K207 A209Y206-T216 CarbonylContact C-O 3.58Å; Y206-T216 WeakPolarHBondContact CA-O 3.47Å; K207-T216 WeakPolarHBondContact CG-OG1 3.34Å; K207-T216 PolarHBondContact N-O 3.42Å; K207-T216 PolarHBondContact O-N 3.06Å; K207-T216 PolarHBondContact O-OG1 3.39Å; A209-T216 HydrophobicContact CB-CG2 4.09Å
217D89.9Confident86.1Confident43 Ų4376.2 Ų76.223%0.2340%0.403CS..EExtended strand (participates in β ladder)trans-51.5140.9172.2-172.259.5000111.6Y206 N233 G236Y206-D217 HydrophobicContact CE1-CB 4.48Å; D217-N233 PolarHBondContact OD2-ND2 3Å; D217-G236 PolarHBondContact OD1-N 3.33Å
218V90.4Very high86.2Confident39 Ų3975.1 Ų75.124%0.23640%0.4CS..  trans-92.6118.4171.6175.50000106.9G205 K207 E220 N233G205-V218 PolarHBondContact O-N 3.03Å; K207-V218 HydrophobicContact CB-CG2 3.83Å; K207-V218 HydrophobicContact CD-CG2 4.23Å; K207-V218 HydrophobicContact CG-CG2 3.98Å; V218-E220 HydrophobicContact CG1-CG 4.27Å; V218-E220 PolarHBondContact O-N 3.4Å; V218-N233 PolarHBondContact O-OD1 2.9Å
219N89.3Confident86.2Confident45 Ų4574.3 Ų74.324%0.24139%0.394CS..  trans-76.595.4172.8-171.9-12.7000110.1C221 E222 N233N219-C221 PolarHBondContact O-N 3.36Å; N219-C221 WeakPolarHBondContact OD1-CB 3.36Å; N219-C221 PolarHBondContact OD1-N 2.83Å; N219-E222 HydrophobicContact CB-CB 4.36Å; N219-E222 HydrophobicContact CB-CG 4.29Å; N219-E222 WeakPolarHBondContact ND2-CG 3.45Å; N219-E222 PolarHBondContact ND2-OE1 3.09Å; N219-E222 PolarHBondContact O-N 3.47Å; N219-N233 WeakPolarHBondContact CA-OD1 3.35Å; N219-N233 VanDerWaalsContact OD1-CB 3.32Å; N219-N233 WeakPolarHBondContact OD1-CB 3.22Å
220E90.5Very high86.2Confident27 Ų2778 Ų7813%0.12641%0.409CS..THydrogen-bonded Turntrans-70.8-11.8179.9-58.992.7169.900113.2V218 T223 T226 N233 F238V218-E220 HydrophobicContact CG1-CG 4.27Å; V218-E220 PolarHBondContact O-N 3.4Å; E220-T223 WeakPolarHBondContact CA-OG1 3.26Å; E220-T223 PolarHBondContact O-OG1 2.9Å; E220-T226 HydrophobicContact CB-CG2 4.2Å; E220-T226 WeakPolarHBondContact O-CB 3.23Å; E220-T226 PolarHBondContact O-OG1 3.28Å; E220-N233 PolarHBondContact OE2-OD1 3.36Å; E220-F238 HydrophobicContact CB-CB 4.05Å; E220-F238 HydrophobicContact CB-CD1 3.53Å; E220-F238 HydrophobicContact CB-CE1 4.18Å; E220-F238 HydrophobicContact CB-CG 3.85Å; E220-F238 HydrophobicContact CG-CD1 3.61Å; E220-F238 HydrophobicContact CG-CE1 4.17Å; E220-F238 HydrophobicContact CG-CG 4.39Å
221C89.4Confident86.3Confident44 Ų4470.5 Ų70.530%0.29738%0.378SS..THydrogen-bonded Turntrans-81.1-16.3174.1-56.90000113.4N219 C231 Y232 N233N219-C221 PolarHBondContact O-N 3.36Å; N219-C221 WeakPolarHBondContact OD1-CB 3.36Å; N219-C221 PolarHBondContact OD1-N 2.83Å; C221-C231 WeakPolarHBondContact CA-SG 3.47Å; C221-C231 HydrophobicContact CB-CB 3.75Å; C221-C231 WeakPolarHBondContact CB-SG 3.49Å; C221-C231 WeakPolarHBondContact SG-CB 3.49Å; C221-C231 CovalentContact SG-SG 2.04Å; C221-C231 PolarHBondContact SG-SG 3.35Å; C221-Y232 PolarHBondContact SG-N 3.46Å; C221-Y232 VanDerWaalsContact SG-N 3.42Å; C221-N233 PolarHBondContact SG-N 3.1Å
222E88.6Confident86.5Confident160 Ų16070.3 Ų70.375%0.74837%0.372SS*.SBendtrans-89.2-8.6173.9-75.3173.1-161.100112.6N219N219-E222 HydrophobicContact CB-CB 4.36Å; N219-E222 HydrophobicContact CB-CG 4.29Å; N219-E222 WeakPolarHBondContact ND2-CG 3.45Å; N219-E222 PolarHBondContact ND2-OE1 3.09Å; N219-E222 PolarHBondContact O-N 3.47Å
223T79.8Confident86.4Confident76 Ų7668.1 Ų68.147%0.46636%0.36SS..SBendtrans-84.9141.4171.339.90000111.3E220 S225 T226E220-T223 WeakPolarHBondContact CA-OG1 3.26Å; E220-T223 PolarHBondContact O-OG1 2.9Å; T223-S225 PolarHBondContact O-N 3.45Å; T223-T226 PolarHBondContact OG1-OG1 3.04Å
224E64.1Low86.5Confident185 Ų18565.4 Ų65.486%0.86435%0.352SS*.THydrogen-bonded Turntrans-58.8124-179.6-75-87.9156.300111.8
225S63.9Low86.5Confident115 Ų11568 Ų6880%0.80436%0.361SS*.THydrogen-bonded Turntrans70.942.6166.9-50.40000118.3T223T223-S225 PolarHBondContact O-N 3.45Å
226T83.4Confident86.2Confident30 Ų3068.4 Ų68.418%0.18437%0.367CS..SBendtrans-80.2-43.5178.2-540000114.6E220 T223 F238 V253E220-T226 HydrophobicContact CB-CG2 4.2Å; E220-T226 WeakPolarHBondContact O-CB 3.23Å; E220-T226 PolarHBondContact O-OG1 3.28Å; T223-T226 PolarHBondContact OG1-OG1 3.04Å; T226-F238 HydrophobicContact CG2-CD1 4.32Å; T226-F238 HydrophobicContact CG2-CD2 3.55Å; T226-F238 HydrophobicContact CG2-CE1 4.05Å; T226-F238 HydrophobicContact CG2-CE2 3.23Å; T226-F238 HydrophobicContact CG2-CG 4.1Å; T226-F238 HydrophobicContact CG2-CZ 3.5Å; T226-V253 WeakPolarHBondContact O-CB 3.07Å; T226-V253 VanDerWaalsContact O-CG1 3.25Å; T226-V253 WeakPolarHBondContact O-CG1 3.41Å
227C90Very high86.1Confident26 Ų2667.9 Ų67.918%0.17637%0.366CS..  trans-122.4148.2-179.2-60.20000110.6C231 C240C227-C231 HydrophobicContact CB-CB 3.94Å; C227-C231 WeakPolarHBondContact SG-CB 3.47Å; C227-C240 VanDerWaalsContact CA-SG 3.53Å; C227-C240 HydrophobicContact CB-CB 3.69Å; C227-C240 WeakPolarHBondContact CB-SG 3.33Å; C227-C240 WeakPolarHBondContact SG-CA 3.29Å; C227-C240 WeakPolarHBondContact SG-CB 3.03Å; C227-C240 CovalentContact SG-SG 2.02Å; C227-C240 PolarHBondContact SG-SG 3.31Å
228Q92.6Very high86.1Confident98 Ų9869.1 Ų69.146%0.45837%0.37SS..SBendtrans-69.6-41.1176.6-177.4176.3-33.300113.1V253 C255Q228-V253 PolarHBondContact N-O 3.34Å; Q228-C255 HydrophobicContact CB-CB 4.4Å; Q228-C255 HydrophobicContact CG-CB 4.39Å; Q228-C255 PolarHBondContact NE2-O 2.7Å; Q228-C255 VanDerWaalsContact NE2-O 3.11Å; Q228-C255 PolarHBondContact OE1-O 3.03Å
229H91.3Very high86Confident55 Ų5569.4 Ų69.426%0.25537%0.37SS..SBendtrans-113.8-95.7-179.1-64.7158.9000111.3Q241 D243 F246 C255H229-Q241 WeakPolarHBondContact CB-O 3.45Å; H229-D243 WeakPolarHBondContact CB-OD1 3.07Å; H229-D243 IonicContact CG-OD1 3.13Å; H229-D243 PolarHBondContact ND1-N 2.64Å; H229-D243 VanDerWaalsContact ND1-N 3.19Å; H229-D243 IonicContact ND1-OD1 3.08Å; H229-F246 AromaticContact CE1-CD2 3.91Å; H229-F246 AromaticContact CE1-CG 3.81Å; H229-C255 PolarHBondContact ND1-SG 3Å; H229-C255 VanDerWaalsContact ND1-SG 3.4Å
230H91.3Very high86.2Confident93 Ų9367.6 Ų67.643%0.43136%0.36SS..EExtended strand (participates in β ladder)trans-101.6139.2-177.1-61.5-64.2000111.6Y232 C240 Q241 D243H230-Y232 HydrophobicContact CB-CE2 3.9Å; H230-C240 CarbonylContact O-C 3.59Å; H230-C240 VanDerWaalsContact O-CA 3.3Å; H230-C240 WeakPolarHBondContact O-CA 3.5Å; H230-Q241 HydrophobicContact CB-CB 4.23Å; H230-Q241 WeakPolarHBondContact CB-O 3.39Å; H230-Q241 PolarHBondContact N-O 3.38Å; H230-Q241 PolarHBondContact O-N 2.79Å; H230-D243 IonicContact CD2-OD1 2.63Å; H230-D243 PolarHBondContact CD2-OD1 2.74Å; H230-D243 IonicContact NE2-OD1 2.81Å; H230-D243 PolarHBondContact NE2-OD1 3.12Å
231C92.2Very high86.3Confident41 Ų4169.3 Ų69.328%0.27737%0.368SS..EExtended strand (participates in β ladder)trans-120.5132176.3-173.10000110.5C221 C227C221-C231 WeakPolarHBondContact CA-SG 3.47Å; C221-C231 HydrophobicContact CB-CB 3.75Å; C221-C231 WeakPolarHBondContact CB-SG 3.49Å; C221-C231 WeakPolarHBondContact SG-CB 3.49Å; C221-C231 CovalentContact SG-SG 2.04Å; C221-C231 PolarHBondContact SG-SG 3.35Å; C227-C231 HydrophobicContact CB-CB 3.94Å; C227-C231 WeakPolarHBondContact SG-CB 3.47Å
232Y90.2Very high86.6Confident79 Ų7968.1 Ų68.131%0.3136%0.36SS..EExtended strand (participates in β ladder)trans-121.2120.4174.5-60.7-86.2000109.9C221 H230 F238 L239 Q241C221-Y232 PolarHBondContact SG-N 3.46Å; C221-Y232 VanDerWaalsContact SG-N 3.42Å; H230-Y232 HydrophobicContact CB-CE2 3.9Å; Y232-F238 CarbonylContact O-C 3.41Å; Y232-F238 WeakPolarHBondContact O-CA 3.03Å; Y232-L239 PolarHBondContact N-O 3.02Å; Y232-L239 PolarHBondContact O-N 3.45Å; Y232-Q241 HydrophobicContact CD2-CB 4.29Å; Y232-Q241 HydrophobicContact CE2-CB 3.79Å; Y232-Q241 PolarHBondContact OH-OE1 2.88Å
233N87.3Confident86.8Confident56 Ų5663.6 Ų63.630%0.29934%0.341SS..EExtended strand (participates in β ladder)trans-75.8132176.8-169.151.1000110.6D217 V218 N219 E220 C221D217-N233 PolarHBondContact OD2-ND2 3Å; V218-N233 PolarHBondContact O-OD1 2.9Å; N219-N233 WeakPolarHBondContact CA-OD1 3.35Å; N219-N233 VanDerWaalsContact OD1-CB 3.32Å; N219-N233 WeakPolarHBondContact OD1-CB 3.22Å; E220-N233 PolarHBondContact OE2-OD1 3.36Å; C221-N233 PolarHBondContact SG-N 3.1Å
234L87.7Confident87.3Confident46 Ų4667.4 Ų67.424%0.24135%0.354CS..EExtended strand (participates in β ladder)trans-122.1161.5176.9-56.6177.4000109.2G236 S237 L239L234-G236 PolarHBondContact O-N 2.82Å; L234-S237 CarbonylContact C-O 3.41Å; L234-S237 WeakPolarHBondContact CA-O 3.37Å; L234-S237 VanDerWaalsContact CB-O 3.28Å; L234-S237 WeakPolarHBondContact CB-O 3.44Å; L234-S237 PolarHBondContact N-O 2.05Å; L234-S237 PolarHBondContact O-N 2.87Å; L234-L239 HydrophobicContact CD1-CB 3.96Å
235I84.9Confident88.6Confident97 Ų9759.4 Ų59.450%0.49732%0.321SS..THydrogen-bonded Turntrans-69.6111177.1-67172000109.4Y77 Y206Y77-I235 HydrophobicContact CE2-CD1 4.2Å; Y206-I235 HydrophobicContact CE1-CG2 4.25Å; Y206-I235 WeakPolarHBondContact OH-CG2 3.44Å
236G83.9Confident90.1Very high19 Ų1956 Ų5620%0.19629%0.292CS..THydrogen-bonded Turntrans82.19.7-179.800000115.4Y206 D217 L234Y206-G236 VanDerWaalsContact CZ-CA 3.48Å; Y206-G236 PolarHBondContact OH-N 2.8Å; D217-G236 PolarHBondContact OD1-N 3.33Å; L234-G236 PolarHBondContact O-N 2.82Å
237S88.1Confident90.6Very high51 Ų5160 Ų6036%0.35731%0.308SS..EExtended strand (participates in β ladder)trans-169.7-178-179.760.50000111.4L234L234-S237 CarbonylContact C-O 3.41Å; L234-S237 WeakPolarHBondContact CA-O 3.37Å; L234-S237 VanDerWaalsContact CB-O 3.28Å; L234-S237 WeakPolarHBondContact CB-O 3.44Å; L234-S237 PolarHBondContact N-O 2.05Å; L234-S237 PolarHBondContact O-N 2.87Å
238F89.1Confident90.8Very high69 Ų6962 Ų6230%0.30332%0.317SS..EExtended strand (participates in β ladder)trans-134.4164.9170.263.6-79000110.5E220 T226 Y232 V253E220-F238 HydrophobicContact CB-CB 4.05Å; E220-F238 HydrophobicContact CB-CD1 3.53Å; E220-F238 HydrophobicContact CB-CE1 4.18Å; E220-F238 HydrophobicContact CB-CG 3.85Å; E220-F238 HydrophobicContact CG-CD1 3.61Å; E220-F238 HydrophobicContact CG-CE1 4.17Å; E220-F238 HydrophobicContact CG-CG 4.39Å; T226-F238 HydrophobicContact CG2-CD1 4.32Å; T226-F238 HydrophobicContact CG2-CD2 3.55Å; T226-F238 HydrophobicContact CG2-CE1 4.05Å; T226-F238 HydrophobicContact CG2-CE2 3.23Å; T226-F238 HydrophobicContact CG2-CG 4.1Å; T226-F238 HydrophobicContact CG2-CZ 3.5Å; Y232-F238 CarbonylContact O-C 3.41Å; Y232-F238 WeakPolarHBondContact O-CA 3.03Å; F238-V253 HydrophobicContact CE2-CG1 4.08Å; F238-V253 HydrophobicContact CZ-CG1 4.24Å
239L89.3Confident90.8Very high46 Ų4657.6 Ų57.624%0.24130%0.297CS..EExtended strand (participates in β ladder)trans-126.3125.2174.2177.766.2000109.5L70 Y232 L234L70-L239 HydrophobicContact CD2-CD2 3.77Å; Y232-L239 PolarHBondContact N-O 3.02Å; Y232-L239 PolarHBondContact O-N 3.45Å; L234-L239 HydrophobicContact CD1-CB 3.96Å
240C92.6Very high90.9Very high6 Ų661 Ų614%0.04132%0.324CS..EExtended strand (participates in β ladder)trans-89.6139.1166.7-57.30000110.1C227 H230 L248 K252C227-C240 VanDerWaalsContact CA-SG 3.53Å; C227-C240 HydrophobicContact CB-CB 3.69Å; C227-C240 WeakPolarHBondContact CB-SG 3.33Å; C227-C240 WeakPolarHBondContact SG-CA 3.29Å; C227-C240 WeakPolarHBondContact SG-CB 3.03Å; C227-C240 CovalentContact SG-SG 2.02Å; C227-C240 PolarHBondContact SG-SG 3.31Å; H230-C240 CarbonylContact O-C 3.59Å; H230-C240 VanDerWaalsContact O-CA 3.3Å; H230-C240 WeakPolarHBondContact O-CA 3.5Å; C240-L248 HydrophobicContact CB-CD1 3.85Å; C240-K252 WeakPolarHBondContact CB-O 3.48Å; C240-K252 PolarHBondContact SG-O 2.04Å; C240-K252 VanDerWaalsContact SG-O 3.38Å
241Q92.8Very high90.9Very high63 Ų6360.7 Ų60.729%0.29433%0.326SS..EExtended strand (participates in β ladder)trans-125.2137.9172.8-177.6176.56.900109H229 H230 Y232H229-Q241 WeakPolarHBondContact CB-O 3.45Å; H230-Q241 HydrophobicContact CB-CB 4.23Å; H230-Q241 WeakPolarHBondContact CB-O 3.39Å; H230-Q241 PolarHBondContact N-O 3.38Å; H230-Q241 PolarHBondContact O-N 2.79Å; Y232-Q241 HydrophobicContact CD2-CB 4.29Å; Y232-Q241 HydrophobicContact CE2-CB 3.79Å; Y232-Q241 PolarHBondContact OH-OE1 2.88Å
242C94.5Very high90.8Very high19 Ų1966 Ų6613%0.12834%0.344CS..PPolyproline II helixtrans-93.1145.5177.2-58.80000111F246 C255C242-F246 HydrophobicContact CB-CB 3.8Å; C242-C255 WeakPolarHBondContact CA-SG 3.47Å; C242-C255 HydrophobicContact CB-CB 3.72Å; C242-C255 WeakPolarHBondContact CB-SG 3.44Å; C242-C255 WeakPolarHBondContact SG-CA 3.37Å; C242-C255 WeakPolarHBondContact SG-CB 3.34Å; C242-C255 CovalentContact SG-SG 2.03Å; C242-C255 PolarHBondContact SG-SG 3.11Å
243D94.2Very high90.8Very high65 Ų6564.2 Ų64.235%0.34834%0.341SS..PPolyproline II helixtrans-52158.1166.5-61.70.4000112.2H229 H230 G245 F246H229-D243 WeakPolarHBondContact CB-OD1 3.07Å; H229-D243 IonicContact CG-OD1 3.13Å; H229-D243 PolarHBondContact ND1-N 2.64Å; H229-D243 VanDerWaalsContact ND1-N 3.19Å; H229-D243 IonicContact ND1-OD1 3.08Å; H230-D243 IonicContact CD2-OD1 2.63Å; H230-D243 PolarHBondContact CD2-OD1 2.74Å; H230-D243 IonicContact NE2-OD1 2.81Å; H230-D243 PolarHBondContact NE2-OD1 3.12Å; D243-G245 PolarHBondContact O-N 3.49Å; D243-F246 HydrophobicContact CB-CD2 4.22Å; D243-F246 WeakPolarHBondContact O-CB 3.48Å; D243-F246 PolarHBondContact O-N 3.04Å; D243-F246 VanDerWaalsContact O-N 3.13Å
244H90.8Very high91.1Very high157 Ų15763.7 Ų63.773%0.72734%0.342SS*.THydrogen-bonded Turntrans-54.8139.7173.8-79.2-78.4000111.6F246H244-F246 VanDerWaalsContact C-N 3.31Å
245G90.6Very high91.5Very high17 Ų1762 Ų6218%0.17533%0.334CS..THydrogen-bonded Turntrans84.61.6-17500000114.3D243 I258D243-G245 PolarHBondContact O-N 3.49Å; G245-I258 WeakPolarHBondContact O-CB 3.48Å; G245-I258 PolarHBondContact O-N 3.19Å
246F94.7Very high92Very high44 Ų4462.4 Ų62.419%0.19333%0.333CS..EExtended strand (participates in β ladder)trans-123.9149.9175.3-63.7-96.6000111.4H229 C242 D243 H244 C255 E256 D257 P276 G277H229-F246 AromaticContact CE1-CD2 3.91Å; H229-F246 AromaticContact CE1-CG 3.81Å; C242-F246 HydrophobicContact CB-CB 3.8Å; D243-F246 HydrophobicContact CB-CD2 4.22Å; D243-F246 WeakPolarHBondContact O-CB 3.48Å; D243-F246 PolarHBondContact O-N 3.04Å; D243-F246 VanDerWaalsContact O-N 3.13Å; H244-F246 VanDerWaalsContact C-N 3.31Å; F246-C255 HydrophobicContact CB-CB 4.14Å; F246-C255 HydrophobicContact CD1-CB 4.48Å; F246-E256 CarbonylContact C-O 3.51Å; F246-E256 WeakPolarHBondContact CA-O 3.05Å; F246-E256 WeakPolarHBondContact CB-O 3.39Å; F246-D257 HydrophobicContact CD1-CB 4.1Å; F246-D257 HydrophobicContact CE1-CB 3.89Å; F246-P276 HydrophobicContact CZ-CB 4.16Å; F246-G277 VanDerWaalsContact CZ-N 3.31Å
247E93.7Very high92.6Very high114 Ų11463.8 Ų63.853%0.53334%0.337SS..EExtended strand (participates in β ladder)trans-115.5149.8172.465.2176.3-173.300111.9A249 C255 E256 I258E247-A249 PolarHBondContact O-N 3.17Å; E247-C255 WeakPolarHBondContact O-CA 3.3Å; E247-E256 PolarHBondContact N-O 3.49Å; E247-E256 PolarHBondContact O-N 2.85Å; E247-I258 HydrophobicContact CB-CD1 4.21Å; E247-I258 HydrophobicContact CB-CG1 4Å; E247-I258 HydrophobicContact CG-CG1 4.09Å
248L94.6Very high92.9Very high68 Ų6863.6 Ų63.636%0.35633%0.331SS..EExtended strand (participates in β ladder)trans-73.9122-179.4-167.172.5000109.8C240 K252C240-L248 HydrophobicContact CB-CD1 3.85Å; L248-K252 HydrophobicContact CD2-CB 4.18Å
249A93.7Very high93.1Very high5 Ų563.1 Ų63.14%0.04133%0.331CS..  trans-64.7164-179.800000111.7E247 D251 K252 S254 E256E247-A249 PolarHBondContact O-N 3.17Å; A249-D251 PolarHBondContact O-N 2.74Å; A249-K252 PolarHBondContact O-N 3.18Å; A249-S254 WeakPolarHBondContact CB-O 3.17Å; A249-S254 PolarHBondContact N-O 2.82Å; A249-E256 HydrophobicContact CB-CG 4.07Å
250P92.9Very high93.3Very high126 Ų12662 Ų6282%0.81833%0.325SS*.THydrogen-bonded Turntrans-59.3-21.5-179.3-26.235.6000115.1K252P250-K252 PolarHBondContact O-N 3.4Å
251D91.2Very high93.2Very high87 Ų8763.3 Ų63.347%0.46533%0.334SS..THydrogen-bonded Turntrans-75.2-8.5175.166.210000113.7A249 V253 S254A249-D251 PolarHBondContact O-N 2.74Å; D251-V253 HydrophobicContact CB-CG2 4Å; D251-V253 PolarHBondContact O-N 3.43Å; D251-V253 WeakPolarHBondContact OD1-CG2 3.03Å; D251-V253 PolarHBondContact OD1-N 3.07Å; D251-S254 PolarHBondContact OD1-N 3.28Å; D251-S254 WeakPolarHBondContact OD2-CB 3.25Å; D251-S254 PolarHBondContact OD2-OG 3.31Å
252K89.7Confident93.2Very high151 Ų15164.9 Ų64.966%0.65735%0.352SS*.SBendtrans64.314.3-179.8-50.8-180-179.1179.70114.9C240 L248 A249 P250C240-K252 WeakPolarHBondContact CB-O 3.48Å; C240-K252 PolarHBondContact SG-O 2.04Å; C240-K252 VanDerWaalsContact SG-O 3.38Å; L248-K252 HydrophobicContact CD2-CB 4.18Å; A249-K252 PolarHBondContact O-N 3.18Å; P250-K252 PolarHBondContact O-N 3.4Å
253V91.6Very high92.8Very high43 Ų4369.8 Ų69.826%0.26138%0.376SS..SBendtrans-128.9-32.2-177.3-67.50000113T226 Q228 F238 D251T226-V253 WeakPolarHBondContact O-CB 3.07Å; T226-V253 VanDerWaalsContact O-CG1 3.25Å; T226-V253 WeakPolarHBondContact O-CG1 3.41Å; Q228-V253 PolarHBondContact N-O 3.34Å; F238-V253 HydrophobicContact CE2-CG1 4.08Å; F238-V253 HydrophobicContact CZ-CG1 4.24Å; D251-V253 HydrophobicContact CB-CG2 4Å; D251-V253 PolarHBondContact O-N 3.43Å; D251-V253 WeakPolarHBondContact OD1-CG2 3.03Å; D251-V253 PolarHBondContact OD1-N 3.07Å
254S93.7Very high92.1Very high45 Ų4568.6 Ų68.632%0.31537%0.373SS..  trans-90.9153.2177.3-73.40000111.9A249 D251A249-S254 WeakPolarHBondContact CB-O 3.17Å; A249-S254 PolarHBondContact N-O 2.82Å; D251-S254 PolarHBondContact OD1-N 3.28Å; D251-S254 WeakPolarHBondContact OD2-CB 3.25Å; D251-S254 PolarHBondContact OD2-OG 3.31Å
255C95.7Very high91.3Very high9 Ų967.3 Ų67.36%0.06138%0.376CS..EExtended strand (participates in β ladder)trans-116.9118.1178.6-66.10000109Q228 H229 C242 F246 E247Q228-C255 HydrophobicContact CB-CB 4.4Å; Q228-C255 HydrophobicContact CG-CB 4.39Å; Q228-C255 PolarHBondContact NE2-O 2.7Å; Q228-C255 VanDerWaalsContact NE2-O 3.11Å; Q228-C255 PolarHBondContact OE1-O 3.03Å; H229-C255 PolarHBondContact ND1-SG 3Å; H229-C255 VanDerWaalsContact ND1-SG 3.4Å; C242-C255 WeakPolarHBondContact CA-SG 3.47Å; C242-C255 HydrophobicContact CB-CB 3.72Å; C242-C255 WeakPolarHBondContact CB-SG 3.44Å; C242-C255 WeakPolarHBondContact SG-CA 3.37Å; C242-C255 WeakPolarHBondContact SG-CB 3.34Å; C242-C255 CovalentContact SG-SG 2.03Å; C242-C255 PolarHBondContact SG-SG 3.11Å; F246-C255 HydrophobicContact CB-CB 4.14Å; F246-C255 HydrophobicContact CD1-CB 4.48Å; E247-C255 WeakPolarHBondContact O-CA 3.3Å
256E95.4Very high90.7Very high106 Ų10676.4 Ų76.450%0.49541%0.407SS..EExtended strand (participates in β ladder)trans-98.7138.5178-72.2178-171.700109.6F246 E247 A249F246-E256 CarbonylContact C-O 3.51Å; F246-E256 WeakPolarHBondContact CA-O 3.05Å; F246-E256 WeakPolarHBondContact CB-O 3.39Å; E247-E256 PolarHBondContact N-O 3.49Å; E247-E256 PolarHBondContact O-N 2.85Å; A249-E256 HydrophobicContact CB-CG 4.07Å
257D96.8Very high90.3Very high49 Ų4976.3 Ų76.326%0.26241%0.408SS..EExtended strand (participates in β ladder)trans-66.2133.4178.7-178.559.7000110.6F246 D259 N274 P276 G277F246-D257 HydrophobicContact CD1-CB 4.1Å; F246-D257 HydrophobicContact CE1-CB 3.89Å; D257-D259 PolarHBondContact O-N 2.02Å; D257-N274 PolarHBondContact OD2-ND2 2.89Å; D257-P276 WeakPolarHBondContact OD1-CA 3.35Å; D257-G277 PolarHBondContact OD1-N 2.86Å
258I93.9Very high90.1Very high47 Ų4771.4 Ų71.424%0.24139%0.386CS..  trans-82110.4176.7-62.3171.6000107.8G245 E247 E260 L263G245-I258 WeakPolarHBondContact O-CB 3.48Å; G245-I258 PolarHBondContact O-N 3.19Å; E247-I258 HydrophobicContact CB-CD1 4.21Å; E247-I258 HydrophobicContact CB-CG1 4Å; E247-I258 HydrophobicContact CG-CG1 4.09Å; I258-E260 HydrophobicContact CG2-CG 4.39Å; I258-E260 PolarHBondContact O-N 3.24Å; I258-E260 VanDerWaalsContact O-OE2 3.04Å; I258-L263 HydrophobicContact CG2-CD1 3.53Å; I258-L263 HydrophobicContact CG2-CG 4.48Å
259D93.4Very high89.8Confident58 Ų5871.3 Ų71.331%0.3138%0.383SS..  trans-74.192.3175-178.6-6.2000111.2D257 C261 S262 L263D257-D259 PolarHBondContact O-N 2.02Å; D259-C261 PolarHBondContact O-N 3.25Å; D259-C261 WeakPolarHBondContact OD1-CA 3.21Å; D259-C261 VanDerWaalsContact OD1-CB 3.3Å; D259-C261 WeakPolarHBondContact OD1-CB 3.4Å; D259-C261 PolarHBondContact OD1-N 3.11Å; D259-C261 VanDerWaalsContact OD1-N 3.07Å; D259-S262 VanDerWaalsContact CG-OG 3.25Å; D259-S262 PolarHBondContact O-N 3.27Å; D259-S262 VanDerWaalsContact O-N 3.12Å; D259-S262 PolarHBondContact OD1-N 3.26Å; D259-S262 WeakPolarHBondContact OD2-CB 3.28Å; D259-S262 PolarHBondContact OD2-OG 3.36Å; D259-L263 PolarHBondContact O-N 2.79Å
260E92.3Very high89.6Confident24 Ų2476 Ų7611%0.11240%0.401CS..Hα-helixtrans-67.1-25-178.1-53.593.3155.600112.6I258 S262 L263 S264 M267 N274 S278 Y279I258-E260 HydrophobicContact CG2-CG 4.39Å; I258-E260 PolarHBondContact O-N 3.24Å; I258-E260 VanDerWaalsContact O-OE2 3.04Å; E260-S262 VanDerWaalsContact C-N 3.29Å; E260-S262 PolarHBondContact O-N 2.9Å; E260-L263 PolarHBondContact O-N 2.96Å; E260-S264 PolarHBondContact O-N 3.11Å; E260-M267 WeakPolarHBondContact O-CG 3.42Å; E260-N274 PolarHBondContact OE2-OD1 3.33Å; E260-N274 VanDerWaalsContact OE2-OD1 3.11Å; E260-S278 VanDerWaalsContact OE1-CA 3.28Å; E260-S278 WeakPolarHBondContact OE1-CA 3.38Å; E260-S278 VanDerWaalsContact OE2-C 3.23Å; E260-Y279 HydrophobicContact CB-CD1 3.62Å; E260-Y279 HydrophobicContact CB-CE1 4.28Å; E260-Y279 HydrophobicContact CB-CG 4.07Å; E260-Y279 HydrophobicContact CG-CD1 3.73Å; E260-Y279 HydrophobicContact CG-CE1 4.33Å; E260-Y279 WeakPolarHBondContact OE2-CB 3.06Å
261C92.1Very high89.6Confident32 Ų3274.1 Ų74.122%0.21638%0.381CS..Hα-helixtrans-68.8-30.9175.7-57.10000111.9D259 C272 V273 N274D259-C261 PolarHBondContact O-N 3.25Å; D259-C261 WeakPolarHBondContact OD1-CA 3.21Å; D259-C261 VanDerWaalsContact OD1-CB 3.3Å; D259-C261 WeakPolarHBondContact OD1-CB 3.4Å; D259-C261 PolarHBondContact OD1-N 3.11Å; D259-C261 VanDerWaalsContact OD1-N 3.07Å; C261-C272 WeakPolarHBondContact CA-SG 3.47Å; C261-C272 HydrophobicContact CB-CB 3.73Å; C261-C272 WeakPolarHBondContact CB-SG 3.25Å; C261-C272 WeakPolarHBondContact SG-CB 3.47Å; C261-C272 CovalentContact SG-SG 2.04Å; C261-C272 PolarHBondContact SG-SG 3.05Å; C261-V273 VanDerWaalsContact SG-C 3.54Å; C261-V273 PolarHBondContact SG-N 3.03Å; C261-V273 VanDerWaalsContact SG-N 3.43Å; C261-N274 PolarHBondContact SG-N 3.44Å
262S91.4Very high89.7Confident96 Ų9671.7 Ų71.767%0.67137%0.371SS*.Hα-helixtrans-79.7-23.3173.8-72.50000113.2D259 E260D259-S262 VanDerWaalsContact CG-OG 3.25Å; D259-S262 PolarHBondContact O-N 3.27Å; D259-S262 VanDerWaalsContact O-N 3.12Å; D259-S262 PolarHBondContact OD1-N 3.26Å; D259-S262 WeakPolarHBondContact OD2-CB 3.28Å; D259-S262 PolarHBondContact OD2-OG 3.36Å; E260-S262 VanDerWaalsContact C-N 3.29Å; E260-S262 PolarHBondContact O-N 2.9Å
263L85.9Confident89.9Confident122 Ų12266.7 Ų66.764%0.63935%0.353SS*.Hα-helixtrans-74.6-34.8-180-69.8178.6000113.5I258 D259 E260I258-L263 HydrophobicContact CG2-CD1 3.53Å; I258-L263 HydrophobicContact CG2-CG 4.48Å; D259-L263 PolarHBondContact O-N 2.79Å; E260-L263 PolarHBondContact O-N 2.96Å
264S79.7Confident90Very high40 Ų4067.2 Ų67.228%0.2835%0.354SS..  trans-154.1131.4179.6176.80000112.7E260 Y266 M267E260-S264 PolarHBondContact O-N 3.11Å; S264-Y266 PolarHBondContact O-N 2.72Å; S264-Y266 PolarHBondContact OG-N 2.84Å; S264-M267 WeakPolarHBondContact O-CG 3.44Å; S264-M267 PolarHBondContact O-N 3.36Å
265T74.3Confident90.1Very high131 Ų13167.2 Ų67.280%0.80435%0.352SS*.THydrogen-bonded Turntrans-65.9-15.2173.7-44.30000112.9
266Y78.8Confident90Very high208 Ų20872.3 Ų72.382%0.81639%0.385SS*.THydrogen-bonded Turntrans-98.711.9-176.6-53.1-74.4000113.8S264 C268S264-Y266 PolarHBondContact O-N 2.72Å; S264-Y266 PolarHBondContact OG-N 2.84Å; Y266-C268 VanDerWaalsContact C-N 3.34Å
267M85.9Confident89.8Confident42 Ų4268.3 Ų68.321%0.20737%0.372CS..SBendtrans-64.9-37.7178.9-74.2-55.9177.100112.8E260 S264 Y279 R293E260-M267 WeakPolarHBondContact O-CG 3.42Å; S264-M267 WeakPolarHBondContact O-CG 3.44Å; S264-M267 PolarHBondContact O-N 3.36Å; M267-Y279 HydrophobicContact CB-CE2 4.26Å; M267-R293 WeakPolarHBondContact O-CD 3.33Å; M267-R293 VanDerWaalsContact O-CG 3.25Å; M267-R293 WeakPolarHBondContact O-CG 3.47Å
268C89.5Confident89.6Confident11 Ų1168.7 Ų68.77%0.07438%0.379CS..SBendtrans-125.4150.1177.4-58.80000109.9Y266 Y270 C272 C281Y266-C268 VanDerWaalsContact C-N 3.34Å; C268-Y270 VanDerWaalsContact C-N 3.29Å; C268-Y270 PolarHBondContact O-N 3.11Å; C268-C272 HydrophobicContact CB-CB 4.1Å; C268-C272 WeakPolarHBondContact SG-CA 2.99Å; C268-C272 WeakPolarHBondContact SG-CB 3.49Å; C268-C281 VanDerWaalsContact CA-SG 3.55Å; C268-C281 HydrophobicContact CB-CB 3.67Å; C268-C281 WeakPolarHBondContact CB-SG 3.42Å; C268-C281 WeakPolarHBondContact SG-CA 3.43Å; C268-C281 WeakPolarHBondContact SG-CB 3.49Å; C268-C281 CovalentContact SG-SG 2.02Å; C268-C281 PolarHBondContact SG-SG 3.48Å
269Q88.6Confident89.6Confident65 Ų6568.8 Ų68.830%0.30438%0.376SS..SBendtrans-68.2-29175.8-174.4174.48.200112.8R293 L294 C295 F456Q269-R293 WeakPolarHBondContact CB-O 3.41Å; Q269-R293 PolarHBondContact N-O 2.92Å; Q269-L294 HydrophobicContact CB-CD2 4.33Å; Q269-C295 PolarHBondContact OE1-O 3.21Å; Q269-F456 HydrophobicContact CG-CD1 3.7Å; Q269-F456 HydrophobicContact CG-CE1 4.18Å; Q269-F456 HydrophobicContact CG-CG 4.44Å
270Y89.4Confident89.6Confident104 Ų10468.3 Ų68.341%0.40838%0.378SS..SBendtrans-121.9-82.7179.3-173.5-115.4000113.2C268 E282 P284 Y454 F456C268-Y270 VanDerWaalsContact C-N 3.29Å; C268-Y270 PolarHBondContact O-N 3.11Å; Y270-E282 WeakPolarHBondContact CD1-O 3Å; Y270-P284 HydrophobicContact CD1-CB 4.15Å; Y270-P284 HydrophobicContact CD1-CG 4.21Å; Y270-P284 HydrophobicContact CD2-CG 4.37Å; Y270-P284 HydrophobicContact CE1-CB 3.82Å; Y270-P284 HydrophobicContact CE1-CG 4.32Å; Y270-P284 HydrophobicContact CE2-CB 4.45Å; Y270-P284 HydrophobicContact CE2-CG 4.47Å; Y270-P284 HydrophobicContact CG-CG 4.23Å; Y270-Y454 AromaticContact CE2-CD1 3.77Å; Y270-Y454 HydrophobicContact CE2-CD1 3.77Å; Y270-Y454 HydrophobicContact CE2-CE1 4.01Å; Y270-Y454 AromaticContact CZ-CE1 4Å; Y270-F456 AromaticContact CD2-CE1 3.55Å; Y270-F456 HydrophobicContact CD2-CE1 3.55Å; Y270-F456 AromaticContact CD2-CZ 3.53Å; Y270-F456 HydrophobicContact CD2-CZ 3.53Å; Y270-F456 HydrophobicContact CE2-CZ 4.38Å; Y270-F456 AromaticContact CG-CE1 3.93Å; Y270-F456 HydrophobicContact CG-CE1 3.93Å; Y270-F456 AromaticContact CG-CZ 3.84Å; Y270-F456 HydrophobicContact CG-CZ 3.84Å
271Q91.4Very high89.7Confident86 Ų8667.7 Ų67.740%0.40238%0.376SS..EExtended strand (participates in β ladder)trans-121.9126.9-174.9-178.1177-35.900109.8V273 C281 E282Q271-V273 HydrophobicContact CG-CG2 4.37Å; Q271-C281 WeakPolarHBondContact O-CA 3.46Å; Q271-E282 HydrophobicContact CB-CB 4.32Å; Q271-E282 PolarHBondContact N-O 3.35Å; Q271-E282 PolarHBondContact NE2-OE2 3.44Å; Q271-E282 VanDerWaalsContact NE2-OE2 3.09Å; Q271-E282 PolarHBondContact O-N 2.92Å
272C94.1Very high89.8Confident37 Ų3770.7 Ų70.725%0.2539%0.387CS..EExtended strand (participates in β ladder)trans-97.7135.3172.2-172.90000109.4C261 C268C261-C272 WeakPolarHBondContact CA-SG 3.47Å; C261-C272 HydrophobicContact CB-CB 3.73Å; C261-C272 WeakPolarHBondContact CB-SG 3.25Å; C261-C272 WeakPolarHBondContact SG-CB 3.47Å; C261-C272 CovalentContact SG-SG 2.04Å; C261-C272 PolarHBondContact SG-SG 3.05Å; C268-C272 HydrophobicContact CB-CB 4.1Å; C268-C272 WeakPolarHBondContact SG-CA 2.99Å; C268-C272 WeakPolarHBondContact SG-CB 3.49Å
273V94.1Very high89.9Confident46 Ų4667.6 Ų67.628%0.27937%0.365SS..EExtended strand (participates in β ladder)trans-125.2114.3175.7-179.40000108.3C261 Q271 Y279 S280 E282C261-V273 VanDerWaalsContact SG-C 3.54Å; C261-V273 PolarHBondContact SG-N 3.03Å; C261-V273 VanDerWaalsContact SG-N 3.43Å; Q271-V273 HydrophobicContact CG-CG2 4.37Å; V273-Y279 WeakPolarHBondContact O-CA 3.03Å; V273-S280 PolarHBondContact N-O 3.13Å; V273-S280 PolarHBondContact O-N 3.4Å; V273-E282 HydrophobicContact CG2-CG 4.05Å
274N94.3Very high90.3Very high54 Ų5462.3 Ų62.329%0.28934%0.338SS..EExtended strand (participates in β ladder)trans-69.5141.5177.9-172.440.3000111D257 E260 C261 S278D257-N274 PolarHBondContact OD2-ND2 2.89Å; E260-N274 PolarHBondContact OE2-OD1 3.33Å; E260-N274 VanDerWaalsContact OE2-OD1 3.11Å; C261-N274 PolarHBondContact SG-N 3.44Å; N274-S278 PolarHBondContact OD1-O 2.84Å
275T94.5Very high90.9Very high45 Ų4568.6 Ų68.628%0.27636%0.363SS..EExtended strand (participates in β ladder)trans-138.3154.2-179.357.40000110.3G277 S278 Y279T275-G277 PolarHBondContact O-N 2.91Å; T275-S278 CarbonylContact C-O 3.5Å; T275-S278 VanDerWaalsContact C-O 3.3Å; T275-S278 WeakPolarHBondContact CA-O 3.34Å; T275-S278 PolarHBondContact N-O 3.37Å; T275-S278 CarbonylContact O-C 3.59Å; T275-S278 PolarHBondContact O-N 2.95Å; T275-S278 PolarHBondContact OG1-O 2.98Å; T275-Y279 PolarHBondContact OG1-N 2.03Å
276P94.1Very high91.7Very high115 Ų11563 Ų6375%0.74733%0.33SS*.THydrogen-bonded Turntrans-58.7115.8178.4-25.535.6000112.5F246 D257F246-P276 HydrophobicContact CZ-CB 4.16Å; D257-P276 WeakPolarHBondContact OD1-CA 3.35Å
277G91.9Very high92.5Very high22 Ų2254 Ų5423%0.22730%0.295CS..THydrogen-bonded Turntrans81.73.9-179.700000115.4F246 D257 T275F246-G277 VanDerWaalsContact CZ-N 3.31Å; D257-G277 PolarHBondContact OD1-N 2.86Å; T275-G277 PolarHBondContact O-N 2.91Å
278S92.7Very high92.8Very high57 Ų5756.1 Ų56.140%0.39931%0.305SS..EExtended strand (participates in β ladder)trans-169.7-169.2-178.8-152.80000113.2E260 N274 T275E260-S278 VanDerWaalsContact OE1-CA 3.28Å; E260-S278 WeakPolarHBondContact OE1-CA 3.38Å; E260-S278 VanDerWaalsContact OE2-C 3.23Å; N274-S278 PolarHBondContact OD1-O 2.84Å; T275-S278 CarbonylContact C-O 3.5Å; T275-S278 VanDerWaalsContact C-O 3.3Å; T275-S278 WeakPolarHBondContact CA-O 3.34Å; T275-S278 PolarHBondContact N-O 3.37Å; T275-S278 CarbonylContact O-C 3.59Å; T275-S278 PolarHBondContact O-N 2.95Å; T275-S278 PolarHBondContact OG1-O 2.98Å
279Y93.4Very high93Very high49 Ų4959 Ų5919%0.19232%0.319CS..EExtended strand (participates in β ladder)trans-137.2162.5169.463.9-73.5000110.6E260 M267 V273 T275 R293E260-Y279 HydrophobicContact CB-CD1 3.62Å; E260-Y279 HydrophobicContact CB-CE1 4.28Å; E260-Y279 HydrophobicContact CB-CG 4.07Å; E260-Y279 HydrophobicContact CG-CD1 3.73Å; E260-Y279 HydrophobicContact CG-CE1 4.33Å; E260-Y279 WeakPolarHBondContact OE2-CB 3.06Å; M267-Y279 HydrophobicContact CB-CE2 4.26Å; V273-Y279 WeakPolarHBondContact O-CA 3.03Å; T275-Y279 PolarHBondContact OG1-N 2.03Å; Y279-R293 VanDerWaalsContact OH-CZ 3.29Å; Y279-R293 PolarHBondContact OH-NE 2.88Å; Y279-R293 PolarHBondContact OH-NH2 3.19Å
280S92.6Very high93.1Very high49 Ų4960.1 Ų60.134%0.34332%0.324SS..EExtended strand (participates in β ladder)trans-126.9146.9172.461.80000110.7V273V273-S280 PolarHBondContact N-O 3.13Å; V273-S280 PolarHBondContact O-N 3.4Å
281C94.5Very high92.9Very high11 Ų1158.2 Ų58.27%0.07434%0.336CS..EExtended strand (participates in β ladder)trans-103.9131.9175.8-61.80000110C268 Q271 L289 N292C268-C281 VanDerWaalsContact CA-SG 3.55Å; C268-C281 HydrophobicContact CB-CB 3.67Å; C268-C281 WeakPolarHBondContact CB-SG 3.42Å; C268-C281 WeakPolarHBondContact SG-CA 3.43Å; C268-C281 WeakPolarHBondContact SG-CB 3.49Å; C268-C281 CovalentContact SG-SG 2.02Å; C268-C281 PolarHBondContact SG-SG 3.48Å; Q271-C281 WeakPolarHBondContact O-CA 3.46Å; C281-L289 HydrophobicContact CB-CD1 3.75Å; C281-N292 WeakPolarHBondContact CB-O 3.44Å; C281-N292 PolarHBondContact SG-O 3.48Å
282E93.8Very high92.6Very high94 Ų9460.1 Ų60.144%0.43935%0.349SS..EExtended strand (participates in β ladder)trans-108.5136.9175.8-65.6-175.516200110Y270 Q271 V273Y270-E282 WeakPolarHBondContact CD1-O 3Å; Q271-E282 HydrophobicContact CB-CB 4.32Å; Q271-E282 PolarHBondContact N-O 3.35Å; Q271-E282 PolarHBondContact NE2-OE2 3.44Å; Q271-E282 VanDerWaalsContact NE2-OE2 3.09Å; Q271-E282 PolarHBondContact O-N 2.92Å; V273-E282 HydrophobicContact CG2-CG 4.05Å
283C94.3Very high92.3Very high31 Ų3164.1 Ų64.121%0.20936%0.359CS..PPolyproline II helixtrans-100.1147.3174.7-67.60000110.5C295C283-C295 WeakPolarHBondContact CA-SG 3.3Å; C283-C295 HydrophobicContact CB-CB 3.84Å; C283-C295 WeakPolarHBondContact CB-SG 3.34Å; C283-C295 WeakPolarHBondContact SG-CA 3.44Å; C283-C295 WeakPolarHBondContact SG-CB 3.25Å; C283-C295 CovalentContact SG-SG 2.05Å; C283-C295 PolarHBondContact SG-SG 3.06Å
284P93.8Very high92.2Very high11 Ų1166.6 Ų66.67%0.07137%0.37CS..PPolyproline II helixtrans-71170.9177.332.5-35.5000111.2Y270 G286 Y287 Y454 F456Y270-P284 HydrophobicContact CD1-CB 4.15Å; Y270-P284 HydrophobicContact CD1-CG 4.21Å; Y270-P284 HydrophobicContact CD2-CG 4.37Å; Y270-P284 HydrophobicContact CE1-CB 3.82Å; Y270-P284 HydrophobicContact CE1-CG 4.32Å; Y270-P284 HydrophobicContact CE2-CB 4.45Å; Y270-P284 HydrophobicContact CE2-CG 4.47Å; Y270-P284 HydrophobicContact CG-CG 4.23Å; P284-G286 PolarHBondContact O-N 3.3Å; P284-Y287 HydrophobicContact CG-CD2 3.74Å; P284-Y287 HydrophobicContact CG-CE2 4.32Å; P284-Y287 HydrophobicContact CG-CG 4.23Å; P284-Y287 WeakPolarHBondContact O-CB 3.46Å; P284-Y287 PolarHBondContact O-N 3.38Å; P284-Y287 VanDerWaalsContact O-N 3.1Å; P284-Y454 HydrophobicContact CB-CD1 4.23Å; P284-Y454 HydrophobicContact CB-CD2 3.94Å; P284-Y454 HydrophobicContact CB-CE1 3.72Å; P284-Y454 HydrophobicContact CB-CE2 3.4Å; P284-Y454 HydrophobicContact CB-CG 4.33Å; P284-Y454 HydrophobicContact CG-CD1 4.22Å; P284-Y454 HydrophobicContact CG-CD2 3.62Å; P284-Y454 HydrophobicContact CG-CE1 4.21Å; P284-Y454 HydrophobicContact CG-CE2 3.62Å; P284-Y454 HydrophobicContact CG-CG 3.94Å; P284-F456 HydrophobicContact CG-CE2 3.72Å; P284-F456 HydrophobicContact CG-CZ 3.53Å
285Q92.1Very high92.1Very high173 Ų17364.5 Ų64.581%0.80836%0.359SS*.THydrogen-bonded Turntrans-53.5136174.7-173.8178.61.900111.8Y287Q285-Y287 VanDerWaalsContact C-N 3.34Å
286G92.1Very high92Very high12 Ų1266 Ų6612%0.12436%0.364CS..THydrogen-bonded Turntrans86.91.1-176.600000114P284 I298P284-G286 PolarHBondContact O-N 3.3Å; G286-I298 WeakPolarHBondContact O-CB 3.46Å; G286-I298 PolarHBondContact O-N 2.83Å
287Y94.6Very high92Very high19 Ų1962 Ų628%0.07534%0.336CS..EExtended strand (participates in β ladder)trans-126.2150.4178.2-67.4-102.5000111.3P284 Q285 C295 Q296 D297 Y318 G319 Y454 F456P284-Y287 HydrophobicContact CG-CD2 3.74Å; P284-Y287 HydrophobicContact CG-CE2 4.32Å; P284-Y287 HydrophobicContact CG-CG 4.23Å; P284-Y287 WeakPolarHBondContact O-CB 3.46Å; P284-Y287 PolarHBondContact O-N 3.38Å; P284-Y287 VanDerWaalsContact O-N 3.1Å; Q285-Y287 VanDerWaalsContact C-N 3.34Å; Y287-C295 HydrophobicContact CD1-CB 4.1Å; Y287-C295 HydrophobicContact CG-CB 4.4Å; Y287-Q296 CarbonylContact C-O 3.57Å; Y287-Q296 VanDerWaalsContact CA-O 3.23Å; Y287-Q296 WeakPolarHBondContact CA-O 3.05Å; Y287-Q296 VanDerWaalsContact CD1-C 3.49Å; Y287-D297 HydrophobicContact CD1-CB 4.35Å; Y287-D297 HydrophobicContact CE1-CB 4.06Å; Y287-Y318 WeakPolarHBondContact OH-CB 3.34Å; Y287-G319 PolarHBondContact OH-N 3.28Å; Y287-Y454 HydrophobicContact CD2-CD2 4.39Å; Y287-Y454 AromaticContact CE2-CD2 3.83Å; Y287-Y454 HydrophobicContact CE2-CD2 3.83Å; Y287-Y454 HydrophobicContact CE2-CE2 4.46Å; Y287-F456 HydrophobicContact CD1-CD2 4.36Å; Y287-F456 HydrophobicContact CD1-CE2 4.12Å; Y287-F456 HydrophobicContact CD2-CE2 4.2Å; Y287-F456 AromaticContact CE1-CD2 3.74Å; Y287-F456 HydrophobicContact CE1-CD2 3.74Å; Y287-F456 AromaticContact CE1-CE2 3.85Å; Y287-F456 HydrophobicContact CE1-CE2 3.85Å; Y287-F456 HydrophobicContact CE2-CD2 4.39Å; Y287-F456 AromaticContact CE2-CE2 3.91Å; Y287-F456 HydrophobicContact CE2-CE2 3.91Å; Y287-F456 HydrophobicContact CG-CE2 4.3Å; Y287-F456 AromaticContact CZ-CD2 3.75Å; Y287-F456 AromaticContact CZ-CE2 3.74Å
288Q93.6Very high92.2Very high87 Ų8762.9 Ų62.941%0.40734%0.335SS..EExtended strand (participates in β ladder)trans-118.9148.1173.164.617916.300110.7Q290 Q296 I298Q288-Q290 PolarHBondContact O-N 2.02Å; Q288-Q296 HydrophobicContact CG-CB 4.46Å; Q288-Q296 PolarHBondContact N-O 2.62Å; Q288-Q296 PolarHBondContact O-N 3.38Å; Q288-I298 HydrophobicContact CB-CD1 4.22Å; Q288-I298 HydrophobicContact CB-CG1 3.96Å; Q288-I298 HydrophobicContact CG-CG1 4.06Å
289L94.1Very high92.3Very high71 Ų7161.9 Ų61.937%0.37233%0.325SS..EExtended strand (participates in β ladder)trans-72.7121.9177.2-166.971.7000109.5C281 L294C281-L289 HydrophobicContact CB-CD1 3.75Å; L289-L294 CarbonylContact C-O 3.59Å; L289-L294 WeakPolarHBondContact CA-O 3.23Å
290Q90.8Very high92.4Very high89 Ų8960.5 Ų60.542%0.41632%0.32SS..EExtended strand (participates in β ladder)trans-106.7125.2174.8-167.2-175.918.900109.5Q288 N292 L294 Q296Q288-Q290 PolarHBondContact O-N 2.02Å; Q290-N292 PolarHBondContact O-N 2.95Å; Q290-L294 PolarHBondContact N-O 3.29Å; Q290-Q296 HydrophobicContact CB-CB 4.1Å
291G83.9Confident92.6Very high64 Ų6459.8 Ų59.866%0.6632%0.315SS*.THydrogen-bonded Turntrans64.4-118.2-164.900000108.5
292N85.1Confident92.6Very high126 Ų12667 Ų6767%0.67435%0.348SS*.THydrogen-bonded Turntrans-133.5-0.2-179-66.3-20.8000114.4C281 Q290C281-N292 WeakPolarHBondContact CB-O 3.44Å; C281-N292 PolarHBondContact SG-O 3.48Å; Q290-N292 PolarHBondContact O-N 2.95Å
293R89.3Confident92.7Very high121 Ų12168 Ų6846%0.45735%0.354SS..THydrogen-bonded Turntrans-138.7-22.3-170.5-64-178176.81701.5115.4M267 Q269 Y279M267-R293 WeakPolarHBondContact O-CD 3.33Å; M267-R293 VanDerWaalsContact O-CG 3.25Å; M267-R293 WeakPolarHBondContact O-CG 3.47Å; Q269-R293 WeakPolarHBondContact CB-O 3.41Å; Q269-R293 PolarHBondContact N-O 2.92Å; Y279-R293 VanDerWaalsContact OH-CZ 3.29Å; Y279-R293 PolarHBondContact OH-NE 2.88Å; Y279-R293 PolarHBondContact OH-NH2 3.19Å
294L90.4Very high92.6Very high98 Ų9869.1 Ų69.151%0.51337%0.37SS..EExtended strand (participates in β ladder)trans-102.9142.3-173.2-61.4177000110.5Q269 L289 Q290Q269-L294 HydrophobicContact CB-CD2 4.33Å; L289-L294 CarbonylContact C-O 3.59Å; L289-L294 WeakPolarHBondContact CA-O 3.23Å; Q290-L294 PolarHBondContact N-O 3.29Å
295C93.1Very high92.7Very high10 Ų1072.8 Ų72.87%0.06839%0.392CS..EExtended strand (participates in β ladder)trans-102.9113.1175.5-65.30000109.4Q269 C283 Y287Q269-C295 PolarHBondContact OE1-O 3.21Å; C283-C295 WeakPolarHBondContact CA-SG 3.3Å; C283-C295 HydrophobicContact CB-CB 3.84Å; C283-C295 WeakPolarHBondContact CB-SG 3.34Å; C283-C295 WeakPolarHBondContact SG-CA 3.44Å; C283-C295 WeakPolarHBondContact SG-CB 3.25Å; C283-C295 CovalentContact SG-SG 2.05Å; C283-C295 PolarHBondContact SG-SG 3.06Å; Y287-C295 HydrophobicContact CD1-CB 4.1Å; Y287-C295 HydrophobicContact CG-CB 4.4Å
296Q92.5Very high92.8Very high78 Ų7867.6 Ų67.636%0.36437%0.368SS..EExtended strand (participates in β ladder)trans-98.8135.8175.8-169.7177.72900109.6Y287 Q288 Q290 I298Y287-Q296 CarbonylContact C-O 3.57Å; Y287-Q296 VanDerWaalsContact CA-O 3.23Å; Y287-Q296 WeakPolarHBondContact CA-O 3.05Å; Y287-Q296 VanDerWaalsContact CD1-C 3.49Å; Q288-Q296 HydrophobicContact CG-CB 4.46Å; Q288-Q296 PolarHBondContact N-O 2.62Å; Q288-Q296 PolarHBondContact O-N 3.38Å; Q290-Q296 HydrophobicContact CB-CB 4.1Å; Q296-I298 PolarHBondContact O-N 3Å
297D94.4Very high93Very high30 Ų3072.8 Ų72.816%0.1639%0.393CS..EExtended strand (participates in β ladder)trans-57.3133.5174-177.364.4000110.9Y287 N299 N316 Y317 Y318 G319Y287-D297 HydrophobicContact CD1-CB 4.35Å; Y287-D297 HydrophobicContact CE1-CB 4.06Å; D297-N299 PolarHBondContact O-N 3.4Å; D297-N316 PolarHBondContact OD2-ND2 2.04Å; D297-Y317 VanDerWaalsContact OD1-O 3.12Å; D297-Y318 HydrophobicContact CB-CD1 4.4Å; D297-Y318 WeakPolarHBondContact OD1-CA 3.28Å; D297-G319 PolarHBondContact OD1-N 2.86Å
298I95.2Very high93.1Very high41 Ų4172.8 Ų72.821%0.2140%0.396CS..  trans-82.4114173.6-63.1171.2000106.9G286 Q288 Q296 E300 M303 N316G286-I298 WeakPolarHBondContact O-CB 3.46Å; G286-I298 PolarHBondContact O-N 2.83Å; Q288-I298 HydrophobicContact CB-CD1 4.22Å; Q288-I298 HydrophobicContact CB-CG1 3.96Å; Q288-I298 HydrophobicContact CG-CG1 4.06Å; Q296-I298 PolarHBondContact O-N 3Å; I298-E300 HydrophobicContact CG2-CG 4.22Å; I298-E300 PolarHBondContact O-N 3.4Å; I298-M303 HydrophobicContact CG2-SD 3.74Å; I298-N316 PolarHBondContact O-OD1 3.18Å
299N95.3Very high93.2Very high35 Ų3574.6 Ų74.619%0.18740%0.404CS..  trans-8190.5176.1-171-23.1000110.6D297 C301 E302 M303 N316D297-N299 PolarHBondContact O-N 3.4Å; N299-C301 PolarHBondContact O-N 2.03Å; N299-C301 WeakPolarHBondContact OD1-CB 3.33Å; N299-C301 PolarHBondContact OD1-N 2.83Å; N299-E302 HydrophobicContact CB-CB 4.12Å; N299-E302 HydrophobicContact CB-CG 4.46Å; N299-E302 VanDerWaalsContact ND2-CG 3.29Å; N299-E302 WeakPolarHBondContact ND2-CG 3.05Å; N299-E302 PolarHBondContact ND2-OE1 3.32Å; N299-E302 PolarHBondContact ND2-OE2 2.73Å; N299-E302 PolarHBondContact O-N 3.24Å; N299-E302 PolarHBondContact OD1-N 2.85Å; N299-M303 WeakPolarHBondContact O-CB 3.36Å; N299-M303 WeakPolarHBondContact O-CG 3.09Å; N299-M303 PolarHBondContact O-N 3.07Å; N299-N316 WeakPolarHBondContact OD1-CB 3.48Å
300E96Very high93Very high20 Ų2078.6 Ų78.69%0.09343%0.426CS..Hα-helixtrans-65.8-24.1-176.6-57.293.6159.500112.8I298 G304 T305 H306 N316 G320 F321I298-E300 HydrophobicContact CG2-CG 4.22Å; I298-E300 PolarHBondContact O-N 3.4Å; E300-G304 PolarHBondContact O-N 3.24Å; E300-T305 WeakPolarHBondContact CA-OG1 3.46Å; E300-T305 VanDerWaalsContact CB-OG1 3.31Å; E300-T305 WeakPolarHBondContact CB-OG1 3.4Å; E300-T305 PolarHBondContact O-N 3.27Å; E300-H306 HydrophobicContact CB-CB 4.4Å; E300-H306 PolarHBondContact O-CD2 2.04Å; E300-N316 PolarHBondContact OE2-OD1 3.05Å; E300-N316 VanDerWaalsContact OE2-OD1 3.07Å; E300-G320 WeakPolarHBondContact OE1-CA 3.36Å; E300-G320 VanDerWaalsContact OE2-C 3.25Å; E300-F321 HydrophobicContact CB-CB 4.12Å; E300-F321 HydrophobicContact CB-CD1 3.56Å; E300-F321 HydrophobicContact CB-CE1 4.25Å; E300-F321 HydrophobicContact CB-CG 3.98Å; E300-F321 HydrophobicContact CG-CD1 3.6Å; E300-F321 HydrophobicContact CG-CE1 4.22Å; E300-F321 HydrophobicContact CG-CG 4.44Å; E300-F321 WeakPolarHBondContact OE2-CB 3.49Å; E300-F321 PolarHBondContact OE2-N 3.24Å
301C95.7Very high93.1Very high35 Ų3579.8 Ų79.824%0.23644%0.435CS..Hα-helixtrans-70.5-39.9175.5-56.40000112.5N299 C314 W315 N316N299-C301 PolarHBondContact O-N 2.03Å; N299-C301 WeakPolarHBondContact OD1-CB 3.33Å; N299-C301 PolarHBondContact OD1-N 2.83Å; C301-C314 WeakPolarHBondContact CA-SG 3.44Å; C301-C314 HydrophobicContact CB-CB 3.77Å; C301-C314 WeakPolarHBondContact CB-SG 3.06Å; C301-C314 WeakPolarHBondContact SG-CB 3.46Å; C301-C314 CovalentContact SG-SG 2.04Å; C301-C314 PolarHBondContact SG-SG 3.5Å; C301-W315 VanDerWaalsContact SG-C 3.51Å; C301-W315 PolarHBondContact SG-N 3.08Å; C301-W315 VanDerWaalsContact SG-N 3.42Å; C301-N316 HydrophobicContact CB-CB 4.42Å; C301-N316 PolarHBondContact SG-N 2.81Å
302E95.8Very high93.6Very high162 Ų16279.2 Ų79.276%0.75742%0.415SS*.Hα-helixtrans-77.5-36.9176.4-76.8176.3-169.900112N299 G304N299-E302 HydrophobicContact CB-CB 4.12Å; N299-E302 HydrophobicContact CB-CG 4.46Å; N299-E302 VanDerWaalsContact ND2-CG 3.29Å; N299-E302 WeakPolarHBondContact ND2-CG 3.05Å; N299-E302 PolarHBondContact ND2-OE1 3.32Å; N299-E302 PolarHBondContact ND2-OE2 2.73Å; N299-E302 PolarHBondContact O-N 3.24Å; N299-E302 PolarHBondContact OD1-N 2.85Å; E302-G304 VanDerWaalsContact C-N 3.27Å; E302-G304 PolarHBondContact O-N 3.02Å
303M94.5Very high93.9Very high116 Ų11676.1 Ų76.157%0.57140%0.398SS*.Hα-helixtrans-76.5-14.2178.5-65.4-169.472.100113.3I298 N299 T305I298-M303 HydrophobicContact CG2-SD 3.74Å; N299-M303 WeakPolarHBondContact O-CB 3.36Å; N299-M303 WeakPolarHBondContact O-CG 3.09Å; N299-M303 PolarHBondContact O-N 3.07Å; M303-T305 VanDerWaalsContact C-N 3.27Å; M303-T305 HydrophobicContact CB-CG2 4.08Å; M303-T305 PolarHBondContact O-N 3.42Å
304G93.5Very high94.2Very high53 Ų5371.9 Ų71.955%0.54639%0.386SS..THydrogen-bonded Turntrans67.926.4-177.800000113.3E300 E302E300-G304 PolarHBondContact O-N 3.24Å; E302-G304 VanDerWaalsContact C-N 3.27Å; E302-G304 PolarHBondContact O-N 3.02Å
305T94.7Very high94.4Very high88 Ų8870.7 Ų70.754%0.5438%0.375SS..  trans-94.3-1.2179.152.90000112.9E300 M303E300-T305 WeakPolarHBondContact CA-OG1 3.46Å; E300-T305 VanDerWaalsContact CB-OG1 3.31Å; E300-T305 WeakPolarHBondContact CB-OG1 3.4Å; E300-T305 PolarHBondContact O-N 3.27Å; M303-T305 VanDerWaalsContact C-N 3.27Å; M303-T305 HydrophobicContact CB-CG2 4.08Å; M303-T305 PolarHBondContact O-N 3.42Å
306H94.6Very high94.5Very high64 Ų6471.7 Ų71.730%0.29638%0.379SS..  trans-70.8158.5175.369.176.8000112.9E300 C308 F321E300-H306 HydrophobicContact CB-CB 4.4Å; E300-H306 PolarHBondContact O-CD2 2.04Å; H306-C308 WeakPolarHBondContact ND1-CB 3.34Å; H306-C308 PolarHBondContact ND1-N 3.35Å; H306-F321 HydrophobicContact CB-CD1 4.43Å; H306-F321 HydrophobicContact CB-CD2 3.57Å; H306-F321 HydrophobicContact CB-CE1 4.39Å; H306-F321 HydrophobicContact CB-CE2 3.53Å; H306-F321 HydrophobicContact CB-CG 4.05Å; H306-F321 HydrophobicContact CB-CZ 3.96Å
307D96.2Very high94.5Very high121 Ų12170.3 Ų70.365%0.64737%0.371SS*.  trans-108.417178.564.8-10.7000114F321D307-F321 WeakPolarHBondContact OD1-CE2 3.05Å; D307-F321 WeakPolarHBondContact OD1-CZ 3.42Å
308C95.6Very high94.5Very high20 Ų2072.9 Ų72.914%0.13538%0.379CS..  trans-58.6141.4176.4-53.30000113.6H306 E312 C323H306-C308 WeakPolarHBondContact ND1-CB 3.34Å; H306-C308 PolarHBondContact ND1-N 3.35Å; C308-E312 HydrophobicContact CB-CB 4.18Å; C308-C323 WeakPolarHBondContact CA-SG 3.4Å; C308-C323 HydrophobicContact CB-CB 3.7Å; C308-C323 WeakPolarHBondContact CB-SG 3.41Å; C308-C323 PolarHBondContact N-SG 3.42Å; C308-C323 VanDerWaalsContact SG-CA 3.54Å; C308-C323 WeakPolarHBondContact SG-CB 3.32Å; C308-C323 CovalentContact SG-SG 2.03Å; C308-C323 PolarHBondContact SG-SG 3.06Å
309Q95.8Very high94.3Very high124 Ų12471.8 Ų71.858%0.57938%0.378SS*.  trans-73.8165.8176.5-56.2-61.3-47.900112.2D311 E312Q309-D311 VanDerWaalsContact C-N 3.27Å; Q309-D311 WeakPolarHBondContact CB-OD1 3.49Å; Q309-D311 PolarHBondContact O-N 2.98Å; Q309-E312 HydrophobicContact CB-CG 4.14Å; Q309-E312 PolarHBondContact N-OE2 3.01Å; Q309-E312 WeakPolarHBondContact O-CB 3.02Å; Q309-E312 PolarHBondContact O-N 2.91Å
310D90.9Very high94.2Very high155 Ų15570.4 Ų70.483%0.82937%0.372SS*.THydrogen-bonded Turntrans-60.6-33.9-179.5-73.5-30000113.3E312 R326D310-E312 PolarHBondContact O-N 3.13Å; D310-R326 PolarHBondContact O-NE 3.19Å
311D92.2Very high94.1Very high114 Ų11472 Ų7261%0.6138%0.379SS*.THydrogen-bonded Turntrans-843.2177.367-39.8000113.7Q309 R326Q309-D311 VanDerWaalsContact C-N 3.27Å; Q309-D311 WeakPolarHBondContact CB-OD1 3.49Å; Q309-D311 PolarHBondContact O-N 2.98Å; D311-R326 WeakPolarHBondContact O-CB 3.35Å; D311-R326 VanDerWaalsContact O-CG 3.3Å; D311-R326 WeakPolarHBondContact O-CG 3Å; D311-R326 PolarHBondContact O-N 2.72Å
312E94.8Very high94Very high53 Ų5375.2 Ų75.225%0.24839%0.386CS..EExtended strand (participates in β ladder)trans-107.4159.1176.3-62.3178.2143.800111.5C308 Q309 D310 C323 Y324 R326C308-E312 HydrophobicContact CB-CB 4.18Å; Q309-E312 HydrophobicContact CB-CG 4.14Å; Q309-E312 PolarHBondContact N-OE2 3.01Å; Q309-E312 WeakPolarHBondContact O-CB 3.02Å; Q309-E312 PolarHBondContact O-N 2.91Å; D310-E312 PolarHBondContact O-N 3.13Å; E312-C323 HydrophobicContact CB-CB 4.16Å; E312-C323 HydrophobicContact CG-CB 4.47Å; E312-C323 WeakPolarHBondContact OE2-CB 3.37Å; E312-Y324 CarbonylContact C-O 3.55Å; E312-Y324 VanDerWaalsContact CA-O 3.3Å; E312-Y324 WeakPolarHBondContact CA-O 3.49Å; E312-R326 PolarHBondContact O-NE 3.16Å; E312-R326 VanDerWaalsContact O-NE 3.11Å
313M92.5Very high94Very high61 Ų6169 Ų6930%0.336%0.36SS..EExtended strand (participates in β ladder)trans-111.6135.7167.980.6178.880.300108.3C323 Y324 R326M313-C323 WeakPolarHBondContact O-CA 3.41Å; M313-Y324 PolarHBondContact N-O 2.85Å; M313-Y324 PolarHBondContact O-N 2.81Å; M313-R326 HydrophobicContact CB-CG 4.43Å
314C95.4Very high93.9Very high31 Ų3164.1 Ų64.121%0.20934%0.335CS..EExtended strand (participates in β ladder)trans-77.4135171.9-172.40000109.9C301C301-C314 WeakPolarHBondContact CA-SG 3.44Å; C301-C314 HydrophobicContact CB-CB 3.77Å; C301-C314 WeakPolarHBondContact CB-SG 3.06Å; C301-C314 WeakPolarHBondContact SG-CB 3.46Å; C301-C314 CovalentContact SG-SG 2.04Å; C301-C314 PolarHBondContact SG-SG 3.5Å
315W94.3Very high93.9Very high74 Ų7464.9 Ų64.928%0.2833%0.33SS..EExtended strand (participates in β ladder)trans-126.3116.2172.1-173.8-85.6000110.3C301 F321 R322 Y324 Y360 I450C301-W315 VanDerWaalsContact SG-C 3.51Å; C301-W315 PolarHBondContact SG-N 3.08Å; C301-W315 VanDerWaalsContact SG-N 3.42Å; W315-F321 CarbonylContact O-C 3.38Å; W315-F321 WeakPolarHBondContact O-CA 3.38Å; W315-R322 PolarHBondContact N-O 2.81Å; W315-R322 PolarHBondContact O-N 3.35Å; W315-Y324 HydrophobicContact CB-CD2 3.68Å; W315-Y324 HydrophobicContact CB-CE2 3.81Å; W315-Y324 HydrophobicContact CG-CD2 4.33Å; W315-Y324 HydrophobicContact CG-CE2 4.11Å; W315-Y360 HydrophobicContact CD2-CG 4.42Å; W315-Y360 WeakPolarHBondContact CH2-O 3.28Å; W315-Y360 VanDerWaalsContact CZ2-O 3.22Å; W315-Y360 WeakPolarHBondContact CZ2-O 3.24Å; W315-I450 VanDerWaalsContact CD1-CD1 3.44Å; W315-I450 HydrophobicContact CG-CD1 4.45Å
316N94.4Very high93.6Very high31 Ų3168.1 Ų68.117%0.16633%0.333CS..EExtended strand (participates in β ladder)trans-79.5142.3178.4-169.454.4000111.4D297 I298 N299 E300 C301 G320D297-N316 PolarHBondContact OD2-ND2 2.04Å; I298-N316 PolarHBondContact O-OD1 3.18Å; N299-N316 WeakPolarHBondContact OD1-CB 3.48Å; E300-N316 PolarHBondContact OE2-OD1 3.05Å; E300-N316 VanDerWaalsContact OE2-OD1 3.07Å; C301-N316 HydrophobicContact CB-CB 4.42Å; C301-N316 PolarHBondContact SG-N 2.81Å; N316-G320 PolarHBondContact OD1-O 3.46Å
317Y93.4Very high93.5Very high48 Ų4869.5 Ų69.519%0.18834%0.342CS..EExtended strand (participates in β ladder)trans-144.1166.8171.669-93.7000110.9D297 G319 G320 F321 R322 I450D297-Y317 VanDerWaalsContact OD1-O 3.12Å; Y317-G319 PolarHBondContact O-N 2.84Å; Y317-G320 CarbonylContact C-O 3.2Å; Y317-G320 WeakPolarHBondContact CA-O 3.42Å; Y317-G320 WeakPolarHBondContact CD1-O 3.08Å; Y317-G320 WeakPolarHBondContact CE1-O 3.42Å; Y317-G320 VanDerWaalsContact CG-O 3.31Å; Y317-G320 PolarHBondContact N-O 2.92Å; Y317-G320 CarbonylContact O-C 3.54Å; Y317-G320 PolarHBondContact O-N 2.04Å; Y317-F321 VanDerWaalsContact CE1-C 3.4Å; Y317-F321 WeakPolarHBondContact CE1-O 3.22Å; Y317-R322 HydrophobicContact CD1-CB 4.45Å; Y317-R322 HydrophobicContact CE1-CB 4.15Å; Y317-I450 HydrophobicContact CD1-CD1 4.3Å; Y317-I450 HydrophobicContact CD1-CG2 3.71Å; Y317-I450 HydrophobicContact CD2-CG2 3.64Å; Y317-I450 HydrophobicContact CE1-CG2 4.13Å; Y317-I450 HydrophobicContact CE2-CG2 4.09Å; Y317-I450 HydrophobicContact CG-CB 4.27Å; Y317-I450 HydrophobicContact CG-CG2 3.45Å; Y317-I450 VanDerWaalsContact CG-CG2 3.45Å
318Y92.9Very high93.2Very high84 Ų8465.2 Ų65.233%0.32932%0.321SS..THydrogen-bonded Turntrans-59108.1-179.2-67.3-72.1000112.4Y287 D297 Q364 G452Y287-Y318 WeakPolarHBondContact OH-CB 3.34Å; D297-Y318 HydrophobicContact CB-CD1 4.4Å; D297-Y318 WeakPolarHBondContact OD1-CA 3.28Å; Y318-Q364 HydrophobicContact CD1-CG 4.04Å; Y318-Q364 HydrophobicContact CD2-CG 3.98Å; Y318-Q364 HydrophobicContact CE1-CG 4.14Å; Y318-Q364 HydrophobicContact CE2-CG 4.09Å; Y318-Q364 HydrophobicContact CG-CG 3.95Å; Y318-G452 WeakPolarHBondContact O-CA 3.21Å
319G91.4Very high93Very high19 Ų1965 Ų6520%0.19632%0.32CS..THydrogen-bonded Turntrans92.411.6-179.800000115.2Y287 D297 Y317Y287-G319 PolarHBondContact OH-N 3.28Å; D297-G319 PolarHBondContact OD1-N 2.86Å; Y317-G319 PolarHBondContact O-N 2.84Å
320G93.4Very high92.7Very high6 Ų662.6 Ų62.66%0.06231%0.309CS..EExtended strand (participates in β ladder)trans164.8-171.4171.400000115.2E300 N316 Y317E300-G320 WeakPolarHBondContact OE1-CA 3.36Å; E300-G320 VanDerWaalsContact OE2-C 3.25Å; N316-G320 PolarHBondContact OD1-O 3.46Å; Y317-G320 CarbonylContact C-O 3.2Å; Y317-G320 WeakPolarHBondContact CA-O 3.42Å; Y317-G320 WeakPolarHBondContact CD1-O 3.08Å; Y317-G320 WeakPolarHBondContact CE1-O 3.42Å; Y317-G320 VanDerWaalsContact CG-O 3.31Å; Y317-G320 PolarHBondContact N-O 2.92Å; Y317-G320 CarbonylContact O-C 3.54Å; Y317-G320 PolarHBondContact O-N 2.04Å
321F94.7Very high92.6Very high54 Ų5460.4 Ų60.424%0.23730%0.303CS..EExtended strand (participates in β ladder)trans-121.6163.917770.2-78.7000112.4E300 H306 D307 W315 Y317E300-F321 HydrophobicContact CB-CB 4.12Å; E300-F321 HydrophobicContact CB-CD1 3.56Å; E300-F321 HydrophobicContact CB-CE1 4.25Å; E300-F321 HydrophobicContact CB-CG 3.98Å; E300-F321 HydrophobicContact CG-CD1 3.6Å; E300-F321 HydrophobicContact CG-CE1 4.22Å; E300-F321 HydrophobicContact CG-CG 4.44Å; E300-F321 WeakPolarHBondContact OE2-CB 3.49Å; E300-F321 PolarHBondContact OE2-N 3.24Å; H306-F321 HydrophobicContact CB-CD1 4.43Å; H306-F321 HydrophobicContact CB-CD2 3.57Å; H306-F321 HydrophobicContact CB-CE1 4.39Å; H306-F321 HydrophobicContact CB-CE2 3.53Å; H306-F321 HydrophobicContact CB-CG 4.05Å; H306-F321 HydrophobicContact CB-CZ 3.96Å; D307-F321 WeakPolarHBondContact OD1-CE2 3.05Å; D307-F321 WeakPolarHBondContact OD1-CZ 3.42Å; W315-F321 CarbonylContact O-C 3.38Å; W315-F321 WeakPolarHBondContact O-CA 3.38Å; Y317-F321 VanDerWaalsContact CE1-C 3.4Å; Y317-F321 WeakPolarHBondContact CE1-O 3.22Å
322R93.9Very high92.5Very high102 Ų10258.2 Ų58.239%0.38529%0.291SS..EExtended strand (participates in β ladder)trans-139.4142.5170.8-159.2171.7-166.6-142.922.8111.6W315 Y317 Y324 E423W315-R322 PolarHBondContact N-O 2.81Å; W315-R322 PolarHBondContact O-N 3.35Å; Y317-R322 HydrophobicContact CD1-CB 4.45Å; Y317-R322 HydrophobicContact CE1-CB 4.15Å; R322-Y324 HydrophobicContact CB-CE2 4.09Å; R322-Y324 HydrophobicContact CG-CE2 4.34Å; R322-Y324 PolarHBondContact NH1-OH 3.27Å; R322-E423 WeakPolarHBondContact CD-OE1 3.44Å; R322-E423 IonicContact CZ-OE1 3.65Å; R322-E423 IonicContact CZ-OE2 3.98Å; R322-E423 IonicContact NE-OE1 3.53Å; R322-E423 PolarHBondContact NE-OE1 3.32Å; R322-E423 VanDerWaalsContact NE-OE1 3.16Å; R322-E423 IonicContact NH1-OE1 3.06Å; R322-E423 PolarHBondContact NH1-OE1 3.37Å; R322-E423 IonicContact NH1-OE2 3.8Å; R322-E423 PolarHBondContact NH1-OE2 2.04Å; R322-E423 IonicContact NH2-OE1 3.21Å; R322-E423 IonicContact NH2-OE2 2.74Å; R322-E423 PolarHBondContact NH2-OE2 3.29Å; R322-E423 VanDerWaalsContact NH2-OE2 3.13Å
323C94.9Very high92.3Very high30 Ų3055.8 Ų55.820%0.20328%0.279CS..EExtended strand (participates in β ladder)trans-93.4125.9175.9-49.40000109.8C308 E312 M313C308-C323 WeakPolarHBondContact CA-SG 3.4Å; C308-C323 HydrophobicContact CB-CB 3.7Å; C308-C323 WeakPolarHBondContact CB-SG 3.41Å; C308-C323 PolarHBondContact N-SG 3.42Å; C308-C323 VanDerWaalsContact SG-CA 3.54Å; C308-C323 WeakPolarHBondContact SG-CB 3.32Å; C308-C323 CovalentContact SG-SG 2.03Å; C308-C323 PolarHBondContact SG-SG 3.06Å; E312-C323 HydrophobicContact CB-CB 4.16Å; E312-C323 HydrophobicContact CG-CB 4.47Å; E312-C323 WeakPolarHBondContact OE2-CB 3.37Å; M313-C323 WeakPolarHBondContact O-CA 3.41Å
324Y92.5Very high92.3Very high15 Ų1555.6 Ų55.66%0.05928%0.281CS..EExtended strand (participates in β ladder)trans-115.6142.9175-72.3-72.6000110.2E312 M313 W315 R322 R326 Y360 E423 I450E312-Y324 CarbonylContact C-O 3.55Å; E312-Y324 VanDerWaalsContact CA-O 3.3Å; E312-Y324 WeakPolarHBondContact CA-O 3.49Å; M313-Y324 PolarHBondContact N-O 2.85Å; M313-Y324 PolarHBondContact O-N 2.81Å; W315-Y324 HydrophobicContact CB-CD2 3.68Å; W315-Y324 HydrophobicContact CB-CE2 3.81Å; W315-Y324 HydrophobicContact CG-CD2 4.33Å; W315-Y324 HydrophobicContact CG-CE2 4.11Å; R322-Y324 HydrophobicContact CB-CE2 4.09Å; R322-Y324 HydrophobicContact CG-CE2 4.34Å; R322-Y324 PolarHBondContact NH1-OH 3.27Å; Y324-R326 PolarHBondContact O-N 3.41Å; Y324-Y360 HydrophobicContact CD1-CD1 4.28Å; Y324-Y360 AromaticContact CD1-CE1 3.47Å; Y324-Y360 HydrophobicContact CD1-CE1 3.47Å; Y324-Y360 VanDerWaalsContact CD1-CE1 3.47Å; Y324-Y360 AromaticContact CD1-CZ 3.82Å; Y324-Y360 AromaticContact CD2-CD1 4Å; Y324-Y360 HydrophobicContact CD2-CD1 4Å; Y324-Y360 AromaticContact CD2-CE1 3.91Å; Y324-Y360 HydrophobicContact CD2-CE1 3.91Å; Y324-Y360 HydrophobicContact CD2-CG 4.43Å; Y324-Y360 AromaticContact CE1-CD1 3.91Å; Y324-Y360 HydrophobicContact CE1-CD1 3.91Å; Y324-Y360 AromaticContact CE1-CE1 3.37Å; Y324-Y360 HydrophobicContact CE1-CE1 3.37Å; Y324-Y360 AromaticContact CE2-CD1 3.6Å; Y324-Y360 HydrophobicContact CE2-CD1 3.6Å; Y324-Y360 AromaticContact CE2-CE1 3.81Å; Y324-Y360 HydrophobicContact CE2-CE1 3.81Å; Y324-Y360 HydrophobicContact CE2-CG 4.24Å; Y324-Y360 HydrophobicContact CG-CD1 4.31Å; Y324-Y360 AromaticContact CG-CE1 3.73Å; Y324-Y360 HydrophobicContact CG-CE1 3.73Å; Y324-Y360 HydrophobicContact CG-CE2 4.48Å; Y324-Y360 AromaticContact CG-CZ 3.82Å; Y324-Y360 AromaticContact CZ-CD1 3.54Å; Y324-Y360 AromaticContact CZ-CE1 3.53Å; Y324-E423 PolarHBondContact OH-OE1 3.37Å; Y324-E423 VanDerWaalsContact OH-OE1 3.04Å; Y324-I450 HydrophobicContact CE2-CD1 4.05Å; Y324-I450 WeakPolarHBondContact OH-CD1 3.16Å
325P92.5Very high92.1Very high68 Ų6857.1 Ų57.144%0.44229%0.287SS..EExtended strand (participates in β ladder)trans-56.9136.3174.8-2433.4000111.3N327P325-N327 PolarHBondContact O-N 3.38Å
326R90.1Very high91.9Very high157 Ų15755 Ų5559%0.59228%0.282SS*.SBendtrans-58.9-29.5173.8-74.5178.2-176.4-102-1.3112.4D310 D311 E312 M313 Y324 P328D310-R326 PolarHBondContact O-NE 3.19Å; D311-R326 WeakPolarHBondContact O-CB 3.35Å; D311-R326 VanDerWaalsContact O-CG 3.3Å; D311-R326 WeakPolarHBondContact O-CG 3Å; D311-R326 PolarHBondContact O-N 2.72Å; E312-R326 PolarHBondContact O-NE 3.16Å; E312-R326 VanDerWaalsContact O-NE 3.11Å; M313-R326 HydrophobicContact CB-CG 4.43Å; Y324-R326 PolarHBondContact O-N 3.41Å; R326-P328 WeakPolarHBondContact O-CD 3.31Å
327N91.9Very high91.5Very high92 Ų9259.4 Ų59.449%0.49232%0.316SS..  trans-107.796.5170.8-177.37.8000110.5P325 C329P325-N327 PolarHBondContact O-N 3.38Å; N327-C329 PolarHBondContact O-N 3.34Å; N327-C329 VanDerWaalsContact OD1-CB 3.24Å; N327-C329 WeakPolarHBondContact OD1-CB 3.19Å; N327-C329 PolarHBondContact OD1-N 2.84Å; N327-C329 VanDerWaalsContact OD1-N 3.12Å; N327-C329 PolarHBondContact OD1-SG 2.81Å
328P90.7Very high91.1Very high31 Ų3163.1 Ų63.120%0.20134%0.335CS..  trans-81.2-0.2179.434.4-37.2000113.1R326 Y358R326-P328 WeakPolarHBondContact O-CD 3.31Å; P328-Y358 HydrophobicContact CB-CD1 4.16Å; P328-Y358 HydrophobicContact CB-CD2 3.98Å; P328-Y358 HydrophobicContact CB-CE2 4.39Å; P328-Y358 HydrophobicContact CB-CG 3.87Å; P328-Y358 HydrophobicContact CG-CD2 3.85Å; P328-Y358 HydrophobicContact CG-CG 4.02Å
329C91.3Very high90.7Very high17 Ų1764.8 Ų64.812%0.11535%0.35CS..  trans-73.1133.8-173.9-58.50000112.2N327 L335 C341N327-C329 PolarHBondContact O-N 3.34Å; N327-C329 VanDerWaalsContact OD1-CB 3.24Å; N327-C329 WeakPolarHBondContact OD1-CB 3.19Å; N327-C329 PolarHBondContact OD1-N 2.84Å; N327-C329 VanDerWaalsContact OD1-N 3.12Å; N327-C329 PolarHBondContact OD1-SG 2.81Å; C329-L335 VanDerWaalsContact SG-CA 3.58Å; C329-L335 VanDerWaalsContact SG-CD1 3.59Å; C329-C341 WeakPolarHBondContact CA-SG 3.34Å; C329-C341 HydrophobicContact CB-CB 3.82Å; C329-C341 WeakPolarHBondContact CB-SG 3.4Å; C329-C341 WeakPolarHBondContact SG-CA 3.07Å; C329-C341 WeakPolarHBondContact SG-CB 3.35Å; C329-C341 CovalentContact SG-SG 2.03Å; C329-C341 PolarHBondContact SG-SG 3.04Å
330E88.4Confident90.6Very high73 Ų7365.4 Ų65.434%0.34135%0.346SS..  trans-59.4156.2169.4-65.7177.1-156.100111L332 Y333 R446E330-L332 PolarHBondContact O-N 3.24Å; E330-Y333 HydrophobicContact CB-CD2 3.99Å; E330-Y333 WeakPolarHBondContact O-CB 3.02Å; E330-Y333 PolarHBondContact O-N 2.95Å; E330-R446 IonicContact OE1-NH1 2.78Å; E330-R446 PolarHBondContact OE1-NH1 2.96Å
331P89.3Confident90.5Very high109 Ų10965.1 Ų65.171%0.70834%0.343SS*.THydrogen-bonded Turntrans-55.3-27.1-171.4-2935.6000116.2Y333 R344P331-Y333 VanDerWaalsContact C-N 3.29Å; P331-R344 PolarHBondContact O-NE 3.47Å; P331-R344 PolarHBondContact O-NH1 2.84Å; P331-R344 PolarHBondContact O-NH2 3.41Å
332L89.9Confident90.3Very high67 Ų6765.3 Ų65.335%0.35135%0.346SS..THydrogen-bonded Turntrans-80.6-8.3178.4-63.6178.1000113.9E330 R344 L352E330-L332 PolarHBondContact O-N 3.24Å; L332-R344 VanDerWaalsContact O-CG 3.32Å; L332-R344 WeakPolarHBondContact O-CG 3.34Å; L332-R344 PolarHBondContact O-N 3.15Å; L332-R344 VanDerWaalsContact O-N 3.11Å; L332-L352 HydrophobicContact CD1-CD1 3.99Å
333Y90.5Very high90Very high3 Ų361.7 Ų61.71%0.01234%0.336CS..EExtended strand (participates in β ladder)trans-105.8158.6-177.8-67.5-99.6000111.1E330 P331 C341 I342 C343 R344 L352 P353 I356E330-Y333 HydrophobicContact CB-CD2 3.99Å; E330-Y333 WeakPolarHBondContact O-CB 3.02Å; E330-Y333 PolarHBondContact O-N 2.95Å; P331-Y333 VanDerWaalsContact C-N 3.29Å; Y333-C341 HydrophobicContact CD1-CB 4.06Å; Y333-C341 HydrophobicContact CG-CB 4.22Å; Y333-I342 CarbonylContact C-O 3.47Å; Y333-I342 VanDerWaalsContact CA-O 3.23Å; Y333-I342 WeakPolarHBondContact CA-O 2.97Å; Y333-I342 VanDerWaalsContact CD1-C 3.41Å; Y333-C343 HydrophobicContact CD1-CB 4.37Å; Y333-C343 HydrophobicContact CE1-CB 4.11Å; Y333-R344 PolarHBondContact O-NE 3.25Å; Y333-R344 VanDerWaalsContact O-NE 3.16Å; Y333-R344 PolarHBondContact O-NH2 3.47Å; Y333-L352 WeakPolarHBondContact OH-CB 3.41Å; Y333-P353 VanDerWaalsContact CE1-O 3.28Å; Y333-P353 WeakPolarHBondContact CE1-O 3.34Å; Y333-P353 PolarHBondContact OH-O 3.18Å; Y333-I356 HydrophobicContact CE1-CD1 3.93Å; Y333-I356 HydrophobicContact CE1-CG1 3.97Å; Y333-I356 HydrophobicContact CE2-CD1 3.97Å
334T91.6Very high89.6Confident56 Ų5667.5 Ų67.534%0.34435%0.354SS..EExtended strand (participates in β ladder)trans-119.7134.8169.242.10000109.3C341 I342 R344T334-C341 WeakPolarHBondContact O-CA 3.21Å; T334-I342 PolarHBondContact N-O 2.85Å; T334-I342 PolarHBondContact O-N 2.71Å; T334-I342 WeakPolarHBondContact OG1-CG1 3.38Å; T334-I342 PolarHBondContact OG1-O 3.34Å; T334-R344 HydrophobicContact CG2-CG 3.59Å
335L92Very high89.2Confident64 Ų6468 Ų6834%0.33536%0.359SS..EExtended strand (participates in β ladder)trans-74.4125.3174.8-171.566.1000109.2C329C329-L335 VanDerWaalsContact SG-CA 3.58Å; C329-L335 VanDerWaalsContact SG-CD1 3.59Å
336T90.4Very high88.3Confident28 Ų2870.7 Ų70.717%0.17238%0.376CS..  trans-86.8166.4172.1710000111E338 N339 R340 I342T336-E338 PolarHBondContact O-N 2.9Å; T336-E338 VanDerWaalsContact O-N 3.1Å; T336-E338 PolarHBondContact OG1-N 3.24Å; T336-N339 PolarHBondContact O-N 3.16Å; T336-N339 VanDerWaalsContact O-N 3.12Å; T336-R340 WeakPolarHBondContact CG2-O 3.49Å; T336-R340 PolarHBondContact N-O 2.73Å; T336-R340 WeakPolarHBondContact OG1-CB 3.42Å; T336-R340 PolarHBondContact OG1-N 2.76Å; T336-R340 PolarHBondContact OG1-O 3.28Å; T336-I342 HydrophobicContact CG2-CB 4.3Å; T336-I342 HydrophobicContact CG2-CD1 3.63Å; T336-I342 HydrophobicContact CG2-CG1 3.67Å; T336-I342 HydrophobicContact CG2-CG2 3.74Å
337S86.8Confident87.9Confident124 Ų12467.8 Ų67.887%0.86738%0.38SS*.THydrogen-bonded Turntrans-61.2-13.9171.955.80000114.5N339S337-N339 VanDerWaalsContact C-N 3.34Å
338E83.3Confident87.3Confident127 Ų12768.6 Ų68.659%0.59338%0.381SS*.THydrogen-bonded Turntrans-96.119177.4-63.217617700112T336 R340T336-E338 PolarHBondContact O-N 2.9Å; T336-E338 VanDerWaalsContact O-N 3.1Å; T336-E338 PolarHBondContact OG1-N 3.24Å; E338-R340 PolarHBondContact O-N 2.96Å; E338-R340 IonicContact OE2-CZ 3.25Å; E338-R340 IonicContact OE2-NH1 3.1Å; E338-R340 PolarHBondContact OE2-NH1 2.03Å; E338-R340 IonicContact OE2-NH2 2.79Å; E338-R340 PolarHBondContact OE2-NH2 3.15Å
339N85.7Confident86.6Confident119 Ų11967.7 Ų67.764%0.63638%0.376SS*.SBendtrans52.838.2-175-72.9-0.8000113.8T336 S337T336-N339 PolarHBondContact O-N 3.16Å; T336-N339 VanDerWaalsContact O-N 3.12Å; S337-N339 VanDerWaalsContact C-N 3.34Å
340R88.3Confident86Confident31 Ų3175.4 Ų75.412%0.11741%0.41CS..EExtended strand (participates in β ladder)trans-114.8134177.1-179.4172.660.3-115.3-3.5109.7C7 T336 E338 I342 V357C7-R340 PolarHBondContact SG-NH1 2.62Å; T336-R340 WeakPolarHBondContact CG2-O 3.49Å; T336-R340 PolarHBondContact N-O 2.73Å; T336-R340 WeakPolarHBondContact OG1-CB 3.42Å; T336-R340 PolarHBondContact OG1-N 2.76Å; T336-R340 PolarHBondContact OG1-O 3.28Å; E338-R340 PolarHBondContact O-N 2.96Å; E338-R340 IonicContact OE2-CZ 3.25Å; E338-R340 IonicContact OE2-NH1 3.1Å; E338-R340 PolarHBondContact OE2-NH1 2.03Å; E338-R340 IonicContact OE2-NH2 2.79Å; E338-R340 PolarHBondContact OE2-NH2 3.15Å; R340-I342 HydrophobicContact CG-CG2 4.09Å; R340-V357 HydrophobicContact CB-CG2 4.41Å; R340-V357 HydrophobicContact CG-CG2 4.05Å
341C91.8Very high85.5Confident0 Ų075.8 Ų75.80%043%0.433CS..EExtended strand (participates in β ladder)trans-86.2112.3172-60.60000108.2C329 Y333 T334 S355 I356 Y358C329-C341 WeakPolarHBondContact CA-SG 3.34Å; C329-C341 HydrophobicContact CB-CB 3.82Å; C329-C341 WeakPolarHBondContact CB-SG 3.4Å; C329-C341 WeakPolarHBondContact SG-CA 3.07Å; C329-C341 WeakPolarHBondContact SG-CB 3.35Å; C329-C341 CovalentContact SG-SG 2.03Å; C329-C341 PolarHBondContact SG-SG 3.04Å; Y333-C341 HydrophobicContact CD1-CB 4.06Å; Y333-C341 HydrophobicContact CG-CB 4.22Å; T334-C341 WeakPolarHBondContact O-CA 3.21Å; C341-S355 CarbonylContact O-C 3.51Å; C341-S355 VanDerWaalsContact O-CA 3.24Å; C341-S355 WeakPolarHBondContact O-CA 3.06Å; C341-I356 HydrophobicContact CB-CB 4.28Å; C341-I356 WeakPolarHBondContact CB-O 3.44Å; C341-I356 PolarHBondContact N-O 3.03Å; C341-I356 PolarHBondContact O-N 3.44Å; C341-Y358 HydrophobicContact CB-CE2 4.26Å; C341-Y358 VanDerWaalsContact SG-CE2 3.51Å
342I89.6Confident85.2Confident58 Ų5874.3 Ų74.330%0.29742%0.419SS..EExtended strand (participates in β ladder)trans-104.9144.4175.262.1171.6000109.9Y333 T334 T336 R340 R344Y333-I342 CarbonylContact C-O 3.47Å; Y333-I342 VanDerWaalsContact CA-O 3.23Å; Y333-I342 WeakPolarHBondContact CA-O 2.97Å; Y333-I342 VanDerWaalsContact CD1-C 3.41Å; T334-I342 PolarHBondContact N-O 2.85Å; T334-I342 PolarHBondContact O-N 2.71Å; T334-I342 WeakPolarHBondContact OG1-CG1 3.38Å; T334-I342 PolarHBondContact OG1-O 3.34Å; T336-I342 HydrophobicContact CG2-CB 4.3Å; T336-I342 HydrophobicContact CG2-CD1 3.63Å; T336-I342 HydrophobicContact CG2-CG1 3.67Å; T336-I342 HydrophobicContact CG2-CG2 3.74Å; R340-I342 HydrophobicContact CG-CG2 4.09Å; I342-R344 PolarHBondContact O-N 3.29Å
343C88.1Confident84.9Confident26 Ų2671.7 Ų71.718%0.17641%0.406CS..EExtended strand (participates in β ladder)trans-65.2136.9177.1176.50000111.1Y333 S345 C349 P354Y333-C343 HydrophobicContact CD1-CB 4.37Å; Y333-C343 HydrophobicContact CE1-CB 4.11Å; C343-S345 PolarHBondContact SG-O 3.38Å; C343-C349 HydrophobicContact CB-CB 3.78Å; C343-C349 WeakPolarHBondContact CB-SG 3.47Å; C343-C349 WeakPolarHBondContact SG-CB 3.27Å; C343-C349 CovalentContact SG-SG 2Å; C343-C349 PolarHBondContact SG-SG 3.32Å; C343-P354 PolarHBondContact N-O 3.22Å
344R86.7Confident84.5Confident153 Ų15374.9 Ų74.958%0.57743%0.427SS*.SBendtrans-64-43.8178.9-71.8173.7-168.1-168.52.3113.3P331 L332 Y333 T334 I342P331-R344 PolarHBondContact O-NE 3.47Å; P331-R344 PolarHBondContact O-NH1 2.84Å; P331-R344 PolarHBondContact O-NH2 3.41Å; L332-R344 VanDerWaalsContact O-CG 3.32Å; L332-R344 WeakPolarHBondContact O-CG 3.34Å; L332-R344 PolarHBondContact O-N 3.15Å; L332-R344 VanDerWaalsContact O-N 3.11Å; Y333-R344 PolarHBondContact O-NE 3.25Å; Y333-R344 VanDerWaalsContact O-NE 3.16Å; Y333-R344 PolarHBondContact O-NH2 3.47Å; T334-R344 HydrophobicContact CG2-CG 3.59Å; I342-R344 PolarHBondContact O-N 3.29Å
345S83.7Confident84.3Confident24 Ų2472.5 Ų72.517%0.16841%0.413CS..  trans-142.4136.2177.282.40000112.2C343 S347 E348 C349C343-S345 PolarHBondContact SG-O 3.38Å; S345-S347 PolarHBondContact O-N 2.86Å; S345-S347 VanDerWaalsContact O-N 3.09Å; S345-S347 PolarHBondContact OG-OG 2.83Å; S345-S347 VanDerWaalsContact OG-OG 3.09Å; S345-E348 WeakPolarHBondContact CB-OE2 3.49Å; S345-E348 PolarHBondContact O-N 2.92Å; S345-E348 VanDerWaalsContact O-N 3.09Å; S345-E348 WeakPolarHBondContact OG-CB 3.35Å; S345-E348 WeakPolarHBondContact OG-CG 3.4Å; S345-E348 PolarHBondContact OG-N 2.79Å; S345-E348 PolarHBondContact OG-OE2 3.4Å; S345-C349 PolarHBondContact O-N 2.82Å
346P74.4Confident84.2Confident125 Ų12569.6 Ų69.681%0.81240%0.397SS*.THydrogen-bonded Turntrans-58.1-24.6177.9-24.733.5000114.3
347S80.7Confident84.3Confident96 Ų9669.1 Ų69.167%0.67140%0.395SS*.THydrogen-bonded Turntrans-73.9-31.9177.437.90000113.7S345S345-S347 PolarHBondContact O-N 2.86Å; S345-S347 VanDerWaalsContact O-N 3.09Å; S345-S347 PolarHBondContact OG-OG 2.83Å; S345-S347 VanDerWaalsContact OG-OG 3.09Å
348E80Confident84.5Confident110 Ų11064.9 Ų64.951%0.51436%0.36SS..THydrogen-bonded Turntrans-86.1-25.2-178-71.1167.7134.500112.6S345S345-E348 WeakPolarHBondContact CB-OE2 3.49Å; S345-E348 PolarHBondContact O-N 2.92Å; S345-E348 VanDerWaalsContact O-N 3.09Å; S345-E348 WeakPolarHBondContact OG-CB 3.35Å; S345-E348 WeakPolarHBondContact OG-CG 3.4Å; S345-E348 PolarHBondContact OG-N 2.79Å; S345-E348 PolarHBondContact OG-OE2 3.4Å
349C75.3Confident84.9Confident12 Ų1262.3 Ų62.38%0.08135%0.347CS..  trans-98.731.7-179.3-61.80000113.5C343 S345 G351 L352C343-C349 HydrophobicContact CB-CB 3.78Å; C343-C349 WeakPolarHBondContact CB-SG 3.47Å; C343-C349 WeakPolarHBondContact SG-CB 3.27Å; C343-C349 CovalentContact SG-SG 2Å; C343-C349 PolarHBondContact SG-SG 3.32Å; S345-C349 PolarHBondContact O-N 2.82Å; C349-G351 PolarHBondContact O-N 2.91Å; C349-L352 HydrophobicContact CB-CB 4.03Å; C349-L352 PolarHBondContact O-N 3.49Å
350Q79.7Confident85.2Confident178 Ų17857.9 Ų57.983%0.83232%0.321SS*.THydrogen-bonded Turntrans-64.7111.8-179-160.8173.99.400110.1
351G77.6Confident85.5Confident81 Ų8157.2 Ų57.284%0.83532%0.32SS*.THydrogen-bonded Turntrans90.4-4.5-174.800000115.1C349C349-G351 PolarHBondContact O-N 2.91Å
352L82.9Confident85.6Confident78 Ų7859 Ų5941%0.40833%0.332SS..SBendtrans-96.8157.3174.2-63.3177.1000111.3L332 Y333 C349L332-L352 HydrophobicContact CD1-CD1 3.99Å; Y333-L352 WeakPolarHBondContact OH-CB 3.41Å; C349-L352 HydrophobicContact CB-CB 4.03Å; C349-L352 PolarHBondContact O-N 3.49Å
353P83.2Confident85.7Confident13 Ų1356.8 Ų56.88%0.08432%0.321CS..  trans-62137.1177-16.126.9000111.5Y333 S355 I356 L444Y333-P353 VanDerWaalsContact CE1-O 3.28Å; Y333-P353 WeakPolarHBondContact CE1-O 3.34Å; Y333-P353 PolarHBondContact OH-O 3.18Å; P353-S355 PolarHBondContact O-N 2.68Å; P353-I356 HydrophobicContact CB-CG1 4.07Å; P353-I356 HydrophobicContact CG-CD1 4.39Å; P353-I356 HydrophobicContact CG-CG1 4.25Å; P353-L444 HydrophobicContact CB-CB 3.82Å; P353-L444 HydrophobicContact CB-CD2 4.42Å; P353-L444 HydrophobicContact CG-CB 3.96Å; P353-L444 HydrophobicContact CG-CD2 3.66Å; P353-L444 HydrophobicContact CG-CG 4.37Å
354P83.5Confident85.8Confident69 Ų6957.7 Ų57.745%0.44832%0.323SS..SBendtrans-69.2-25.1179.429.3-35.7000112.5C343 S442C343-P354 PolarHBondContact N-O 3.22Å; P354-S442 WeakPolarHBondContact CD-O 3.33Å; P354-S442 WeakPolarHBondContact CD-OG 3.21Å; P354-S442 WeakPolarHBondContact CG-O 3.42Å
355S87Confident86.1Confident6 Ų650.7 Ų50.74%0.04230%0.297CS..EExtended strand (participates in β ladder)trans-144.9145.117071.30000112C341 P353 L444C341-S355 CarbonylContact O-C 3.51Å; C341-S355 VanDerWaalsContact O-CA 3.24Å; C341-S355 WeakPolarHBondContact O-CA 3.06Å; P353-S355 PolarHBondContact O-N 2.68Å; S355-L444 PolarHBondContact O-N 3.05Å; S355-L444 VanDerWaalsContact O-N 3.08Å
356I90.3Very high86.4Confident3 Ų353.7 Ų53.72%0.01531%0.308CS..EExtended strand (participates in β ladder)trans-126.2130.9177-51.6176.2000108.3Y333 C341 P353 Y358 L444 R446Y333-I356 HydrophobicContact CE1-CD1 3.93Å; Y333-I356 HydrophobicContact CE1-CG1 3.97Å; Y333-I356 HydrophobicContact CE2-CD1 3.97Å; C341-I356 HydrophobicContact CB-CB 4.28Å; C341-I356 WeakPolarHBondContact CB-O 3.44Å; C341-I356 PolarHBondContact N-O 3.03Å; C341-I356 PolarHBondContact O-N 3.44Å; P353-I356 HydrophobicContact CB-CG1 4.07Å; P353-I356 HydrophobicContact CG-CD1 4.39Å; P353-I356 HydrophobicContact CG-CG1 4.25Å; I356-Y358 HydrophobicContact CB-CE2 4.13Å; I356-Y358 HydrophobicContact CG2-CD2 4.08Å; I356-Y358 HydrophobicContact CG2-CE2 3.55Å; I356-L444 CarbonylContact C-O 3.59Å; I356-L444 VanDerWaalsContact CA-O 3.31Å; I356-L444 WeakPolarHBondContact CA-O 3.41Å; I356-L444 HydrophobicContact CG1-CB 4.36Å; I356-L444 HydrophobicContact CG1-CD2 4.33Å; I356-L444 HydrophobicContact CG2-CD2 4.42Å; I356-R446 HydrophobicContact CG2-CB 4.36Å
357V91.1Very high87.1Confident19 Ų1953.1 Ų53.112%0.11529%0.29CS..EExtended strand (participates in β ladder)trans-110.7129.4170.9179.50000107.8R340 K359 L444 L445 R446R340-V357 HydrophobicContact CB-CG2 4.41Å; R340-V357 HydrophobicContact CG-CG2 4.05Å; V357-K359 HydrophobicContact CG1-CG 4.28Å; V357-L444 PolarHBondContact N-O 3.37Å; V357-L445 HydrophobicContact CB-CD1 4.04Å; V357-L445 HydrophobicContact CG1-CD1 3.94Å; V357-L445 CarbonylContact O-C 3.57Å; V357-L445 WeakPolarHBondContact O-CA 3.28Å; V357-R446 PolarHBondContact O-N 2.94Å
358Y91.8Very high87.6Confident35 Ų3553.7 Ų53.714%0.13729%0.294CS..EExtended strand (participates in β ladder)trans-98.4131.4175.4-68-97.4000109.1P328 C341 I356 R446P328-Y358 HydrophobicContact CB-CD1 4.16Å; P328-Y358 HydrophobicContact CB-CD2 3.98Å; P328-Y358 HydrophobicContact CB-CE2 4.39Å; P328-Y358 HydrophobicContact CB-CG 3.87Å; P328-Y358 HydrophobicContact CG-CD2 3.85Å; P328-Y358 HydrophobicContact CG-CG 4.02Å; C341-Y358 HydrophobicContact CB-CE2 4.26Å; C341-Y358 VanDerWaalsContact SG-CE2 3.51Å; I356-Y358 HydrophobicContact CB-CE2 4.13Å; I356-Y358 HydrophobicContact CG2-CD2 4.08Å; I356-Y358 HydrophobicContact CG2-CE2 3.55Å; Y358-R446 WeakPolarHBondContact CA-O 3.48Å; Y358-R446 HydrophobicContact CD1-CB 4.15Å; Y358-R446 HydrophobicContact CD1-CG 4.25Å; Y358-R446 HydrophobicContact CE1-CB 4.27Å; Y358-R446 HydrophobicContact CE1-CG 4.26Å
359K92Very high88.1Confident72 Ų7251.1 Ų51.131%0.31329%0.286SS..EExtended strand (participates in β ladder)trans-134.8146.6173.8-71-64.9179.8-178.30110.1V357 L445 R446 L447 T448V357-K359 HydrophobicContact CG1-CG 4.28Å; K359-L445 HydrophobicContact CB-CD1 4Å; K359-L445 HydrophobicContact CG-CD1 3.56Å; K359-R446 PolarHBondContact N-O 3.08Å; K359-L447 HydrophobicContact CB-CD1 3.86Å; K359-L447 CarbonylContact O-C 3.58Å; K359-L447 WeakPolarHBondContact O-CA 3.37Å; K359-T448 PolarHBondContact O-N 2.82Å
360Y92.3Very high88.9Confident26 Ų2655.9 Ų55.910%0.10232%0.316CS..EExtended strand (participates in β ladder)trans-120.6144.6178.2-52.8-83.9000108.1W315 Y324 T448W315-Y360 HydrophobicContact CD2-CG 4.42Å; W315-Y360 WeakPolarHBondContact CH2-O 3.28Å; W315-Y360 VanDerWaalsContact CZ2-O 3.22Å; W315-Y360 WeakPolarHBondContact CZ2-O 3.24Å; Y324-Y360 HydrophobicContact CD1-CD1 4.28Å; Y324-Y360 AromaticContact CD1-CE1 3.47Å; Y324-Y360 HydrophobicContact CD1-CE1 3.47Å; Y324-Y360 VanDerWaalsContact CD1-CE1 3.47Å; Y324-Y360 AromaticContact CD1-CZ 3.82Å; Y324-Y360 AromaticContact CD2-CD1 4Å; Y324-Y360 HydrophobicContact CD2-CD1 4Å; Y324-Y360 AromaticContact CD2-CE1 3.91Å; Y324-Y360 HydrophobicContact CD2-CE1 3.91Å; Y324-Y360 HydrophobicContact CD2-CG 4.43Å; Y324-Y360 AromaticContact CE1-CD1 3.91Å; Y324-Y360 HydrophobicContact CE1-CD1 3.91Å; Y324-Y360 AromaticContact CE1-CE1 3.37Å; Y324-Y360 HydrophobicContact CE1-CE1 3.37Å; Y324-Y360 AromaticContact CE2-CD1 3.6Å; Y324-Y360 HydrophobicContact CE2-CD1 3.6Å; Y324-Y360 AromaticContact CE2-CE1 3.81Å; Y324-Y360 HydrophobicContact CE2-CE1 3.81Å; Y324-Y360 HydrophobicContact CE2-CG 4.24Å; Y324-Y360 HydrophobicContact CG-CD1 4.31Å; Y324-Y360 AromaticContact CG-CE1 3.73Å; Y324-Y360 HydrophobicContact CG-CE1 3.73Å; Y324-Y360 HydrophobicContact CG-CE2 4.48Å; Y324-Y360 AromaticContact CG-CZ 3.82Å; Y324-Y360 AromaticContact CZ-CD1 3.54Å; Y324-Y360 AromaticContact CZ-CE1 3.53Å; Y360-T448 CarbonylContact C-O 3.48Å; Y360-T448 WeakPolarHBondContact CA-O 3.47Å; Y360-T448 HydrophobicContact CD1-CG2 4.21Å
361M93.5Very high89.4Confident18 Ų1848 Ų489%0.08928%0.282CS..EExtended strand (participates in β ladder)trans-149155.8169.965.4176.9-61.900109.4I363 I373 F374 L447 T448 I449 I450M361-I363 HydrophobicContact CE-CG2 3.74Å; M361-I373 HydrophobicContact CE-CB 4.22Å; M361-I373 WeakPolarHBondContact CE-O 3.23Å; M361-F374 HydrophobicContact SD-CB 4.1Å; M361-F374 HydrophobicContact SD-CD2 3.95Å; M361-F374 HydrophobicContact SD-CG 4.42Å; M361-L447 HydrophobicContact CG-CD1 3.99Å; M361-L447 HydrophobicContact CG-CG 4.49Å; M361-L447 HydrophobicContact SD-CD1 4.08Å; M361-L447 HydrophobicContact SD-CD2 3.94Å; M361-L447 HydrophobicContact SD-CG 4.33Å; M361-T448 PolarHBondContact N-O 2.95Å; M361-I449 HydrophobicContact CG-CB 4.21Å; M361-I449 HydrophobicContact CG-CG1 3.83Å; M361-I449 HydrophobicContact CG-CG2 4.19Å; M361-I449 WeakPolarHBondContact O-CA 3.42Å; M361-I449 HydrophobicContact SD-CD1 4.38Å; M361-I449 HydrophobicContact SD-CG1 3.92Å; M361-I450 PolarHBondContact O-N 2.84Å
362S93.4Very high90.1Very high37 Ų3748.1 Ų48.126%0.25926%0.263SS..EExtended strand (participates in β ladder)trans-114.6147.7174540000110.4I450S362-I450 CarbonylContact C-O 3.6Å; S362-I450 VanDerWaalsContact CA-O 3.25Å; S362-I450 WeakPolarHBondContact CA-O 3.01Å
363I92.9Very high90.6Very high11 Ų1145.6 Ų45.66%0.05625%0.25CC..EExtended strand (participates in β ladder)trans-138.5154.3170.565.6168.8000109.9M361 L414 L418 I449 I450 V451 G452M361-I363 HydrophobicContact CE-CG2 3.74Å; I363-L414 HydrophobicContact CD1-CD2 4.37Å; I363-L418 HydrophobicContact CD1-CB 4.39Å; I363-L418 HydrophobicContact CD1-CD1 3.74Å; I363-L418 HydrophobicContact CD1-CG 4.36Å; I363-I449 HydrophobicContact CD1-CG2 3.98Å; I363-I449 HydrophobicContact CG1-CG2 3.91Å; I363-I449 HydrophobicContact CG2-CG2 4.27Å; I363-I450 PolarHBondContact N-O 3.28Å; I363-V451 HydrophobicContact CD1-CG2 3.99Å; I363-V451 HydrophobicContact CG1-CB 4.37Å; I363-V451 HydrophobicContact CG1-CG1 4.33Å; I363-V451 HydrophobicContact CG1-CG2 3.83Å; I363-V451 WeakPolarHBondContact O-CA 3.32Å; I363-G452 PolarHBondContact O-N 2.75Å
364Q90.9Very high91.1Very high46 Ų4645.6 Ų45.622%0.21525%0.249CC..  trans-70.6151.3171.4-66166.6-55.200110.8Y318 F456Y318-Q364 HydrophobicContact CD1-CG 4.04Å; Y318-Q364 HydrophobicContact CD2-CG 3.98Å; Y318-Q364 HydrophobicContact CE1-CG 4.14Å; Y318-Q364 HydrophobicContact CE2-CG 4.09Å; Y318-Q364 HydrophobicContact CG-CG 3.95Å; Q364-F456 PolarHBondContact NE2-O 3.45Å; Q364-F456 PolarHBondContact OE1-O 2.81Å
365S91.9Very high91.4Very high6 Ų644.6 Ų44.64%0.04224%0.238CC..THydrogen-bonded Turntrans-65.4153.8174.7-162.70000110.4R367 L418 S419 G420 G452 Y454 P455S365-R367 PolarHBondContact O-N 3.3Å; S365-L418 WeakPolarHBondContact CA-O 3.26Å; S365-L418 PolarHBondContact OG-O 2.87Å; S365-S419 WeakPolarHBondContact OG-CA 3.03Å; S365-G420 PolarHBondContact OG-N 3Å; S365-G420 VanDerWaalsContact OG-N 3.12Å; S365-G452 WeakPolarHBondContact CB-O 3.47Å; S365-Y454 WeakPolarHBondContact CB-O 3.35Å; S365-Y454 PolarHBondContact N-O 2.77Å; S365-P455 WeakPolarHBondContact O-CA 3.03Å
366E90.8Very high91.5Very high87 Ų8744.6 Ų44.641%0.40724%0.237SC..THydrogen-bonded Turntrans53.224.7172.2-54.8-58.2143.600115.4S368 P417 L418 S419 P455E366-S368 PolarHBondContact O-N 3.46Å; E366-P417 WeakPolarHBondContact OE2-CB 3.39Å; E366-L418 PolarHBondContact N-O 2.02Å; E366-S419 WeakPolarHBondContact OE1-CA 3.41Å; E366-S419 WeakPolarHBondContact OE1-CB 3.08Å; E366-S419 PolarHBondContact OE1-OG 3.01Å; E366-P455 HydrophobicContact CB-CB 3.71Å; E366-P455 HydrophobicContact CG-CB 3.99Å
367R88.6Confident91.4Very high113 Ų11347.5 Ų47.543%0.42625%0.251SS..  trans-54.4137.4177.9-175-179.4-176.587.3-1.7111S365 V369S365-R367 PolarHBondContact O-N 3.3Å; R367-V369 PolarHBondContact O-N 2.98Å
368S89.9Confident90.9Very high108 Ų10846.8 Ų46.876%0.75525%0.247SC*.  trans-52.6131.7174.1-59.70000112.5E366E366-S368 PolarHBondContact O-N 3.46Å
369V91.1Very high89.7Confident55 Ų5547.8 Ų47.833%0.33326%0.257SS..SBendtrans-119.4152.1-180-69.20000111.6R367 L414R367-V369 PolarHBondContact O-N 2.98Å; V369-L414 HydrophobicContact CG1-CB 4.26Å; V369-L414 HydrophobicContact CG1-CD2 3.76Å; V369-L414 HydrophobicContact CG1-CG 3.77Å
370P91.6Very high88.3Confident112 Ų11246.3 Ų46.373%0.72725%0.254SS*.SBendcis-75.6141.32.231-34.7000113.2V413 L414P370-V413 HydrophobicContact CB-CG1 4.13Å; P370-L414 VanDerWaalsContact CA-O 3.3Å; P370-L414 WeakPolarHBondContact CA-O 3.44Å
371A90.4Very high86.7Confident13 Ų1349.7 Ų49.711%0.10728%0.277CS..EExtended strand (participates in β ladder)trans-130.3131.3179.900000112.1I373 V413 L414A371-I373 HydrophobicContact CB-CG2 4.14Å; A371-I373 PolarHBondContact O-N 2.88Å; A371-V413 CarbonylContact O-C 3.48Å; A371-V413 VanDerWaalsContact O-CA 3.31Å; A371-V413 WeakPolarHBondContact O-CA 3.1Å; A371-L414 HydrophobicContact CB-CB 4.43Å; A371-L414 PolarHBondContact N-O 3.43Å; A371-L414 PolarHBondContact O-N 3.03Å
372D92.6Very high85.4Confident83 Ų8353.4 Ų53.444%0.44429%0.291SS..EExtended strand (participates in β ladder)trans-74.7116168.9-71.1-1.1000108.2R403 M411 V413D372-R403 IonicContact OD1-CZ 2.82Å; D372-R403 IonicContact OD1-NH1 3.12Å; D372-R403 IonicContact OD1-NH2 3.86Å; D372-R403 PolarHBondContact OD1-NH2 2.88Å; D372-R403 IonicContact OD2-CZ 2.74Å; D372-R403 IonicContact OD2-NH2 3.16Å; D372-R403 PolarHBondContact OD2-NH2 2.9Å; D372-M411 HydrophobicContact CB-CE 4.36Å; D372-M411 HydrophobicContact CB-CG 3.75Å; D372-M411 HydrophobicContact CB-SD 3.93Å; D372-V413 WeakPolarHBondContact OD1-CG2 3.48Å
373I93.2Very high84.1Confident25 Ų2558.3 Ų58.313%0.12832%0.319CS..EExtended strand (participates in β ladder)trans-115.4-25.6-170.658.3161.9000114M361 A371 F400 L412 L414 I449M361-I373 HydrophobicContact CE-CB 4.22Å; M361-I373 WeakPolarHBondContact CE-O 3.23Å; A371-I373 HydrophobicContact CB-CG2 4.14Å; A371-I373 PolarHBondContact O-N 2.88Å; I373-F400 HydrophobicContact CD1-CD1 3.99Å; I373-F400 HydrophobicContact CD1-CE1 3.88Å; I373-L412 HydrophobicContact CD1-CD2 3.96Å; I373-L412 HydrophobicContact CD1-CG 4.25Å; I373-L412 HydrophobicContact CG1-CB 4.33Å; I373-L412 HydrophobicContact CG1-CD2 4.25Å; I373-L412 HydrophobicContact CG1-CG 4.21Å; I373-L412 VanDerWaalsContact CG1-O 3.3Å; I373-L412 WeakPolarHBondContact CG1-O 3.42Å; I373-L412 PolarHBondContact N-O 3.34Å; I373-L414 HydrophobicContact CD1-CB 4.16Å; I373-L414 HydrophobicContact CG1-CB 4.4Å; I373-L414 HydrophobicContact CG2-CB 3.92Å; I373-I449 HydrophobicContact CD1-CD1 3.96Å
374F93.4Very high83.3Confident13 Ų1361.2 Ų61.26%0.05734%0.335CS..EExtended strand (participates in β ladder)trans-155126.2-178.5-170.9-89.3000112.6A10 M361 I376 M411 L412 L445 L447A10-F374 HydrophobicContact CB-CZ 3.9Å; M361-F374 HydrophobicContact SD-CB 4.1Å; M361-F374 HydrophobicContact SD-CD2 3.95Å; M361-F374 HydrophobicContact SD-CG 4.42Å; F374-I376 HydrophobicContact CD1-CG1 3.91Å; F374-I376 HydrophobicContact CE1-CG1 3.96Å; F374-M411 VanDerWaalsContact C-SD 3.54Å; F374-M411 VanDerWaalsContact O-SD 3.37Å; F374-L412 HydrophobicContact CB-CB 4.01Å; F374-L412 HydrophobicContact CB-CD2 4.28Å; F374-L412 PolarHBondContact N-O 3.19Å; F374-L412 WeakPolarHBondContact O-CB 3.36Å; F374-L412 PolarHBondContact O-N 3.18Å; F374-L445 HydrophobicContact CD1-CD2 4.48Å; F374-L445 HydrophobicContact CE1-CD2 3.52Å; F374-L445 HydrophobicContact CZ-CD2 3.98Å; F374-L447 HydrophobicContact CB-CD2 3.96Å; F374-L447 HydrophobicContact CD1-CD2 4.03Å; F374-L447 HydrophobicContact CD2-CD1 3.88Å; F374-L447 HydrophobicContact CD2-CD2 3.96Å; F374-L447 HydrophobicContact CE2-CD1 3.77Å; F374-L447 HydrophobicContact CE2-CD2 4.49Å; F374-L447 HydrophobicContact CG-CD1 4.44Å; F374-L447 HydrophobicContact CG-CD2 3.71Å; F374-L447 HydrophobicContact CZ-CD1 4.25Å
375Q91.2Very high82.6Confident48 Ų4859.3 Ų59.322%0.22433%0.327CS..EExtended strand (participates in β ladder)trans-97.2126.7175.4-166.9175.918.500111.6M411Q375-M411 HydrophobicContact CB-CE 3.84Å; Q375-M411 HydrophobicContact CB-SD 3.98Å; Q375-M411 HydrophobicContact CG-CE 4.06Å
376I89.1Confident82.3Confident6 Ų662.8 Ų62.83%0.03134%0.342CS..EExtended strand (participates in β ladder)trans-99.2132.4173.5-45.7172000108.4L8 F374 F389 L402 S409 A410 L428 L445L8-I376 HydrophobicContact CD2-CG2 3.29Å; F374-I376 HydrophobicContact CD1-CG1 3.91Å; F374-I376 HydrophobicContact CE1-CG1 3.96Å; I376-F389 HydrophobicContact CG2-CD1 4.21Å; I376-F389 HydrophobicContact CG2-CE1 4.19Å; I376-L402 HydrophobicContact CD1-CD1 3.75Å; I376-S409 CarbonylContact O-C 3.56Å; I376-S409 WeakPolarHBondContact O-CA 3.45Å; I376-S409 WeakPolarHBondContact O-CB 3.08Å; I376-A410 PolarHBondContact N-O 3.45Å; I376-A410 PolarHBondContact O-N 3.44Å; I376-L428 HydrophobicContact CD1-CB 3.9Å; I376-L428 HydrophobicContact CD1-CD1 3.65Å; I376-L428 HydrophobicContact CD1-CD2 4.13Å; I376-L428 HydrophobicContact CD1-CG 4.09Å; I376-L428 HydrophobicContact CG1-CD1 4.16Å; I376-L445 HydrophobicContact CG1-CD2 4.35Å; I376-L445 HydrophobicContact CG2-CD2 4.43Å
377Q86.9Confident82Confident65 Ų6558.6 Ų58.630%0.30432%0.322SS..EExtended strand (participates in β ladder)trans-134.7138.3178.8-171.2169-1.100112.9C9 V408C9-Q377 PolarHBondContact N-O 3.48Å; C9-Q377 CarbonylContact O-C 3.55Å; C9-Q377 WeakPolarHBondContact O-CB 3.46Å; C9-Q377 PolarHBondContact O-N 2.91Å; Q377-V408 CarbonylContact C-O 3.58Å; Q377-V408 VanDerWaalsContact CA-O 3.32Å; Q377-V408 WeakPolarHBondContact CA-O 3.33Å
378A80.6Confident82Confident4 Ų455.7 Ų55.73%0.03332%0.319CS..EExtended strand (participates in β ladder)trans-76.6131.8170.900000110V408 M430A378-V408 HydrophobicContact CB-CB 4.35Å; A378-V408 PolarHBondContact N-O 3.35Å; A378-M430 HydrophobicContact CB-SD 3.75Å
379T68Low82Confident56 Ų5651.7 Ų51.734%0.34429%0.288SS..SBendtrans-72.2-35.8178.649.60000113.9C7 C9C7-T379 VanDerWaalsContact CA-OG1 3.27Å; C7-T379 WeakPolarHBondContact CA-OG1 3.16Å; C7-T379 HydrophobicContact CB-CG2 3.96Å; C7-T379 WeakPolarHBondContact CB-OG1 3.38Å; C7-T379 PolarHBondContact N-OG1 3.09Å; C7-T379 WeakPolarHBondContact O-CB 3.39Å; C7-T379 PolarHBondContact O-N 3.09Å; C7-T379 PolarHBondContact O-OG1 3.09Å; C9-T379 HydrophobicContact CB-CG2 3.31Å; C9-T379 WeakPolarHBondContact SG-CG2 3.31Å
380T61.6Low82.1Confident41 Ų4155.1 Ų55.125%0.25230%0.295SS..  trans-118.3118-171.746.10000109.9
381V59.8Low82.3Confident96 Ų9651.8 Ų51.858%0.58227%0.271SS*.  trans-104.592.4-179.8-169.60000107.9V408V381-V408 HydrophobicContact CB-CG1 4.32Å; V381-V408 HydrophobicContact CG1-CG1 3.85Å; V381-V408 HydrophobicContact CG2-CB 4.38Å; V381-V408 HydrophobicContact CG2-CG1 3.63Å
382Y65.7Low82.5Confident97 Ų9755.7 Ų55.738%0.3829%0.285SS..  trans-84.3135.4166.4-58.6-77.9000108.3V4 N384 T385V4-Y382 HydrophobicContact CG1-CE2 3.9Å; V4-Y382 WeakPolarHBondContact CG1-OH 3Å; Y382-N384 PolarHBondContact O-N 2.82Å; Y382-T385 HydrophobicContact CD2-CG2 4.01Å; Y382-T385 HydrophobicContact CG-CG2 4.31Å; Y382-T385 PolarHBondContact N-OG1 2.96Å; Y382-T385 PolarHBondContact O-N 3.5Å; Y382-T385 PolarHBondContact O-OG1 3.07Å
383T65.6Low82.6Confident140 Ų14054 Ų5486%0.85928%0.282SS*.THydrogen-bonded Turntrans-55.1-24.6178.550.10000113.1
384N76.8Confident82.5Confident72 Ų7254 Ų5439%0.38529%0.29SS..THydrogen-bonded Turntrans-105.927.4-179.6-67.1-26.4000114.1Y382 L435 T436Y382-N384 PolarHBondContact O-N 2.82Å; N384-L435 PolarHBondContact O-N 3.5Å; N384-T436 HydrophobicContact CB-CG2 4.18Å
385T76.8Confident82.6Confident6 Ų655.3 Ų55.34%0.03730%0.297CS..EExtended strand (participates in β ladder)trans-118.4136.6176.252.80000112.5Y382 N407 T432 H433 H434Y382-T385 HydrophobicContact CD2-CG2 4.01Å; Y382-T385 HydrophobicContact CG-CG2 4.31Å; Y382-T385 PolarHBondContact N-OG1 2.96Å; Y382-T385 PolarHBondContact O-N 3.5Å; Y382-T385 PolarHBondContact O-OG1 3.07Å; T385-N407 PolarHBondContact O-ND2 2.96Å; T385-T432 HydrophobicContact CG2-CG2 3.87Å; T385-H433 WeakPolarHBondContact CA-O 3.29Å; T385-H434 HydrophobicContact CG2-CB 4.34Å
386H84.3Confident82.6Confident78 Ų7860.8 Ų60.836%0.36133%0.328SS..EExtended strand (participates in β ladder)trans-111.8121.9171.1-178.4-89.2000109R404 N407 H433H386-R404 PolarHBondContact NE2-NH1 3.18Å; H386-R404 PolarHBondContact NE2-NH2 3Å; H386-N407 PolarHBondContact CD2-OD1 3.29Å; H386-H433 PolarHBondContact N-O 3.04Å; H386-H433 PolarHBondContact O-N 2.82Å
387N85.3Confident82.6Confident0 Ų062.1 Ų62.10%034%0.343CS..EExtended strand (participates in β ladder)trans-100.4130.9176.6-52.6-57.5000110.1F389 R404 N407 M430 I431 T432N387-F389 HydrophobicContact CB-CE2 3.97Å; N387-F389 HydrophobicContact CB-CZ 3.95Å; N387-R404 PolarHBondContact O-NH2 3.28Å; N387-R404 VanDerWaalsContact O-NH2 3.09Å; N387-N407 VanDerWaalsContact CB-O 3.28Å; N387-N407 WeakPolarHBondContact CB-O 3.5Å; N387-N407 PolarHBondContact N-OD1 2.88Å; N387-N407 PolarHBondContact ND2-O 3.46Å; N387-M430 HydrophobicContact CB-CG 4.26Å; N387-M430 HydrophobicContact CB-SD 4.39Å; N387-I431 WeakPolarHBondContact CA-O 3.38Å; N387-T432 WeakPolarHBondContact OD1-CB 3.42Å; N387-T432 VanDerWaalsContact OD1-CG2 3.28Å; N387-T432 WeakPolarHBondContact OD1-CG2 3.33Å; N387-T432 PolarHBondContact OD1-OG1 2.79Å
388S87.9Confident82.9Confident51 Ų5160.6 Ų60.636%0.35734%0.344SS..EExtended strand (participates in β ladder)trans-110.2135.5169.8-173.80000108.7M430 I431S388-M430 CarbonylContact O-C 3.54Å; S388-M430 WeakPolarHBondContact O-CA 3.48Å; S388-I431 PolarHBondContact N-O 2.97Å; S388-I431 PolarHBondContact O-N 2.74Å
389F91Very high83.6Confident25 Ų2562.3 Ų62.311%0.1135%0.352CS..EExtended strand (participates in β ladder)trans-115.6138.8177.5-54.3-90.7000109.1L8 I376 N387 L402 A410 E429 M430L8-F389 HydrophobicContact CD2-CE1 4.36Å; I376-F389 HydrophobicContact CG2-CD1 4.21Å; I376-F389 HydrophobicContact CG2-CE1 4.19Å; N387-F389 HydrophobicContact CB-CE2 3.97Å; N387-F389 HydrophobicContact CB-CZ 3.95Å; F389-L402 HydrophobicContact CB-CD2 3.63Å; F389-A410 HydrophobicContact CB-CB 3.85Å; F389-A410 HydrophobicContact CD1-CB 4.28Å; F389-A410 HydrophobicContact CD2-CB 3.9Å; F389-A410 HydrophobicContact CG-CB 3.75Å; F389-E429 WeakPolarHBondContact CA-O 3.3Å; F389-M430 HydrophobicContact CD1-CB 4.02Å; F389-M430 HydrophobicContact CD1-CG 3.94Å; F389-M430 HydrophobicContact CE1-CB 4.08Å; F389-M430 HydrophobicContact CE1-CG 3.63Å; F389-M430 HydrophobicContact CE1-SD 3.69Å; F389-M430 HydrophobicContact CZ-CG 4.27Å; F389-M430 HydrophobicContact CZ-SD 4.15Å
390R92.6Very high84.9Confident126 Ų12659.9 Ų59.948%0.47534%0.337SS..EExtended strand (participates in β ladder)trans-149.2155.6174.963.8179.4179.1174.92111.8E429R390-E429 HydrophobicContact CG-CB 4.17Å; R390-E429 IonicContact CZ-OE2 2.88Å; R390-E429 PolarHBondContact N-O 3.27Å; R390-E429 IonicContact NE-OE2 3.83Å; R390-E429 PolarHBondContact NE-OE2 3.5Å; R390-E429 IonicContact NH2-OE2 2.66Å; R390-E429 PolarHBondContact NH2-OE2 2.89Å; R390-E429 PolarHBondContact O-N 2.73Å
391I95.2Very high86.5Confident43 Ų4363.6 Ų63.622%0.22135%0.349CS..EExtended strand (participates in β ladder)trans-80.5119.2164.8-55.8169.6000106.8N395 F400 L402 L412 V426 L428I391-N395 HydrophobicContact CD1-CB 4.46Å; I391-N395 HydrophobicContact CG2-CB 3.75Å; I391-F400 HydrophobicContact CD1-CB 4.03Å; I391-L402 HydrophobicContact CD1-CB 4.2Å; I391-L402 HydrophobicContact CG1-CB 4.05Å; I391-L412 HydrophobicContact CD1-CD1 4.16Å; I391-L412 HydrophobicContact CG1-CD1 4.46Å; I391-V426 HydrophobicContact CG2-CG1 3.86Å; I391-L428 HydrophobicContact CG1-CD2 3.86Å
392K94.1Very high88.1Confident95 Ų9560.3 Ų60.341%0.41333%0.329SS..EExtended strand (participates in β ladder)trans-88.8-40.3-177.8-174.8177-172.3161.30112D427 E429 L444K392-D427 HydrophobicContact CB-CB 4.27Å; K392-D427 WeakPolarHBondContact CB-O 3.49Å; K392-D427 PolarHBondContact N-O 3.42Å; K392-E429 HydrophobicContact CB-CB 4.14Å; K392-E429 HydrophobicContact CD-CB 4.31Å; K392-E429 IonicContact NZ-OE1 3.69Å; K392-E429 PolarHBondContact NZ-OE1 2.97Å; K392-L444 HydrophobicContact CB-CD1 4.48Å; K392-L444 HydrophobicContact CD-CD1 3.73Å
393A94.8Very high89.4Confident46 Ų4661.2 Ų61.238%0.3833%0.331SS..EExtended strand (participates in β ladder)trans-156.6169.1177.900000110.8D427A393-D427 HydrophobicContact CB-CB 4.08Å; A393-D427 PolarHBondContact N-O 3.4Å; A393-D427 PolarHBondContact O-N 2.77Å
394G92.9Very high90.5Very high27 Ų2760.4 Ų60.428%0.27831%0.312SS..SBendtrans84.923.317400000115.3V425G394-V425 VanDerWaalsContact CA-O 3.27Å; G394-V425 WeakPolarHBondContact CA-O 3.08Å
395N94.6Very high90.9Very high39 Ų3960.1 Ų60.121%0.20932%0.316CS..  trans-137.337179.5-173.140.4000111.7I391 G397 G398 E399 F400I391-N395 HydrophobicContact CD1-CB 4.46Å; I391-N395 HydrophobicContact CG2-CB 3.75Å; N395-G397 PolarHBondContact O-N 3.46Å; N395-G398 PolarHBondContact O-N 2.82Å; N395-G398 VanDerWaalsContact O-N 3.14Å; N395-G398 WeakPolarHBondContact OD1-CA 3.21Å; N395-E399 PolarHBondContact OD1-N 3.49Å; N395-E399 VanDerWaalsContact OD1-N 3.15Å; N395-F400 HydrophobicContact CB-CD2 4.3Å; N395-F400 PolarHBondContact ND2-O 3.43Å; N395-F400 WeakPolarHBondContact OD1-CB 3.49Å; N395-F400 WeakPolarHBondContact OD1-CD2 3.48Å; N395-F400 PolarHBondContact OD1-N 2.98Å; N395-F400 PolarHBondContact OD1-O 3.08Å
396D91.7Very high91.4Very high164 Ų16461.9 Ų61.988%0.87733%0.328SS*.THydrogen-bonded Turntrans-66.6-27.2-176.1-57.2-54.2000112.3
397G89.6Confident91.4Very high33 Ų3361 Ų6134%0.3433%0.326SS..THydrogen-bonded Turntrans-86.9-3.9175.400000114.3N395 E399 K416N395-G397 PolarHBondContact O-N 3.46Å; G397-E399 VanDerWaalsContact C-CD 3.5Å; G397-E399 VanDerWaalsContact C-N 3.3Å; G397-E399 WeakPolarHBondContact CA-OE1 2.88Å; G397-E399 WeakPolarHBondContact CA-OE2 3.5Å; G397-E399 PolarHBondContact N-OE2 3.42Å; G397-E399 PolarHBondContact O-N 2.03Å; G397-K416 PolarHBondContact O-NZ 2.67Å
398G92.7Very high91.4Very high33 Ų3362.4 Ų62.434%0.3434%0.335SS..  trans66.328.7178.700000114.1N395 F400 T415N395-G398 PolarHBondContact O-N 2.82Å; N395-G398 VanDerWaalsContact O-N 3.14Å; N395-G398 WeakPolarHBondContact OD1-CA 3.21Å; G398-F400 VanDerWaalsContact C-N 3.27Å; G398-T415 PolarHBondContact O-OG1 2.04Å
399E94.6Very high91.5Very high40 Ų4060.6 Ų60.619%0.18732%0.322CS..  trans-72.7-20.5176.5-56.986.816900112.8N395 G397 L414 T415 K416 L418N395-E399 PolarHBondContact OD1-N 3.49Å; N395-E399 VanDerWaalsContact OD1-N 3.15Å; G397-E399 VanDerWaalsContact C-CD 3.5Å; G397-E399 VanDerWaalsContact C-N 3.3Å; G397-E399 WeakPolarHBondContact CA-OE1 2.88Å; G397-E399 WeakPolarHBondContact CA-OE2 3.5Å; G397-E399 PolarHBondContact N-OE2 3.42Å; G397-E399 PolarHBondContact O-N 2.03Å; E399-L414 WeakPolarHBondContact O-CD1 3.41Å; E399-T415 PolarHBondContact O-N 3.26Å; E399-T415 PolarHBondContact O-OG1 3.42Å; E399-K416 HydrophobicContact CB-CB 4.42Å; E399-K416 HydrophobicContact CG-CB 4.33Å; E399-K416 HydrophobicContact CG-CD 4.37Å; E399-L418 HydrophobicContact CB-CD2 3.77Å; E399-L418 HydrophobicContact CG-CD2 3.72Å
400F95.5Very high91.5Very high6 Ų659.4 Ų59.43%0.02632%0.317CS..EExtended strand (participates in β ladder)trans-118.2141-176.9-51.2-75000111.8I373 I391 N395 G398 L412 V413 L414 L418 Y424 V426 I449I373-F400 HydrophobicContact CD1-CD1 3.99Å; I373-F400 HydrophobicContact CD1-CE1 3.88Å; I391-F400 HydrophobicContact CD1-CB 4.03Å; N395-F400 HydrophobicContact CB-CD2 4.3Å; N395-F400 PolarHBondContact ND2-O 3.43Å; N395-F400 WeakPolarHBondContact OD1-CB 3.49Å; N395-F400 WeakPolarHBondContact OD1-CD2 3.48Å; N395-F400 PolarHBondContact OD1-N 2.98Å; N395-F400 PolarHBondContact OD1-O 3.08Å; G398-F400 VanDerWaalsContact C-N 3.27Å; F400-L412 HydrophobicContact CB-CD1 3.94Å; F400-L412 HydrophobicContact CD1-CD2 4.27Å; F400-L412 HydrophobicContact CD1-CG 4.39Å; F400-V413 WeakPolarHBondContact CA-O 3.49Å; F400-L414 HydrophobicContact CD1-CD1 3.94Å; F400-L414 HydrophobicContact CE1-CD1 3.67Å; F400-L414 HydrophobicContact CZ-CD1 4.47Å; F400-L418 HydrophobicContact CE1-CD1 4.01Å; F400-L418 HydrophobicContact CZ-CD1 3.79Å; F400-Y424 HydrophobicContact CE2-CD1 4.32Å; F400-Y424 HydrophobicContact CZ-CD1 4.37Å; F400-Y424 HydrophobicContact CZ-CG 4.3Å; F400-V426 HydrophobicContact CD2-CG2 3.71Å; F400-V426 HydrophobicContact CE1-CG2 4.46Å; F400-V426 HydrophobicContact CE2-CG2 3.49Å; F400-V426 VanDerWaalsContact CE2-CG2 3.49Å; F400-V426 HydrophobicContact CG-CG2 4.29Å; F400-V426 HydrophobicContact CZ-CG2 3.9Å; F400-I449 HydrophobicContact CD1-CD1 4.35Å; F400-I449 HydrophobicContact CE1-CD1 3.49Å; F400-I449 VanDerWaalsContact CE1-CD1 3.49Å; F400-I449 HydrophobicContact CZ-CD1 3.74Å
401F94.6Very high91.5Very high118 Ų11854.7 Ų54.752%0.51830%0.301SS..EExtended strand (participates in β ladder)trans-129.4135.8171.8174.5-103.3000109.8R403 V413 T415F401-R403 HydrophobicContact CD1-CB 4.17Å; F401-R403 HydrophobicContact CE1-CB 3.79Å; F401-R403 HydrophobicContact CE1-CG 4.32Å; F401-V413 HydrophobicContact CD1-CB 4.49Å; F401-V413 PolarHBondContact N-O 3.49Å; F401-V413 PolarHBondContact O-N 3.38Å; F401-T415 HydrophobicContact CB-CG2 3.54Å
402L93.8Very high91.5Very high28 Ų2852.6 Ų52.615%0.14729%0.29CS..EExtended strand (participates in β ladder)trans-100.6106.8178.4-164.570.5000110.3I376 F389 I391 A410 L412 L428I376-L402 HydrophobicContact CD1-CD1 3.75Å; F389-L402 HydrophobicContact CB-CD2 3.63Å; I391-L402 HydrophobicContact CD1-CB 4.2Å; I391-L402 HydrophobicContact CG1-CB 4.05Å; L402-A410 HydrophobicContact CD1-CB 4.08Å; L402-A410 HydrophobicContact CD2-CB 4.39Å; L402-A410 HydrophobicContact CG-CB 4.08Å; L402-L412 HydrophobicContact CD1-CB 4.34Å; L402-L412 HydrophobicContact CD1-CD1 4.1Å; L402-L428 HydrophobicContact CD1-CD2 4.39Å
403R92.9Very high91.4Very high115 Ų11548.4 Ų48.443%0.43427%0.272SS..EExtended strand (participates in β ladder)trans-91.3117.3177-171.5171.265.9-154.2-4.6109.7D372 F401 S405 A410 M411 V413D372-R403 IonicContact OD1-CZ 2.82Å; D372-R403 IonicContact OD1-NH1 3.12Å; D372-R403 IonicContact OD1-NH2 3.86Å; D372-R403 PolarHBondContact OD1-NH2 2.88Å; D372-R403 IonicContact OD2-CZ 2.74Å; D372-R403 IonicContact OD2-NH2 3.16Å; D372-R403 PolarHBondContact OD2-NH2 2.9Å; F401-R403 HydrophobicContact CD1-CB 4.17Å; F401-R403 HydrophobicContact CE1-CB 3.79Å; F401-R403 HydrophobicContact CE1-CG 4.32Å; R403-S405 PolarHBondContact O-N 3.16Å; R403-A410 CarbonylContact O-C 3.58Å; R403-A410 WeakPolarHBondContact O-CA 2.99Å; R403-M411 PolarHBondContact N-O 3.42Å; R403-M411 PolarHBondContact O-N 2.92Å; R403-V413 HydrophobicContact CB-CG2 3.98Å
404R88.4Confident91.4Very high124 Ų12446.2 Ų46.247%0.46825%0.254SS..EExtended strand (participates in β ladder)trans-68.6124.9174.9-171.6177.3-173.9175.13.2109.8H386 N387 S406 N407H386-R404 PolarHBondContact NE2-NH1 3.18Å; H386-R404 PolarHBondContact NE2-NH2 3Å; N387-R404 PolarHBondContact O-NH2 3.28Å; N387-R404 VanDerWaalsContact O-NH2 3.09Å; R404-S406 WeakPolarHBondContact CG-O 3.46Å; R404-S406 PolarHBondContact NE-O 3.45Å; R404-N407 PolarHBondContact NH2-OD1 2.97Å; R404-N407 VanDerWaalsContact NH2-OD1 3.12Å
405S86.6Confident91.4Very high65 Ų6547.7 Ų47.746%0.45526%0.258SS..  trans-97-38.5177.8-53.90000111.5R403 S409R403-S405 PolarHBondContact O-N 3.16Å; S405-S409 PolarHBondContact N-O 3.09Å
406S85.9Confident91.3Very high43 Ų4350.6 Ų50.630%0.30127%0.269SS..SBendtrans-155.5-170.9178.373.80000112.1R404 V408 S409R404-S406 WeakPolarHBondContact CG-O 3.46Å; R404-S406 PolarHBondContact NE-O 3.45Å; S406-V408 PolarHBondContact O-N 2.05Å; S406-V408 VanDerWaalsContact OG-CG2 3.26Å; S406-V408 WeakPolarHBondContact OG-CG2 3.07Å; S406-V408 PolarHBondContact OG-N 2.86Å; S406-S409 PolarHBondContact N-O 3.19Å; S406-S409 PolarHBondContact OG-N 2.86Å; S406-S409 PolarHBondContact OG-OG 3.11Å
407N84.1Confident91.4Very high59 Ų5945.7 Ų45.732%0.31625%0.246SC..SBendtrans-72.1-9.7168.9-170.740.9000113.1T385 H386 N387 R404T385-N407 PolarHBondContact O-ND2 2.96Å; H386-N407 PolarHBondContact CD2-OD1 3.29Å; N387-N407 VanDerWaalsContact CB-O 3.28Å; N387-N407 WeakPolarHBondContact CB-O 3.5Å; N387-N407 PolarHBondContact N-OD1 2.88Å; N387-N407 PolarHBondContact ND2-O 3.46Å; R404-N407 PolarHBondContact NH2-OD1 2.97Å; R404-N407 VanDerWaalsContact NH2-OD1 3.12Å
408V85.6Confident91.6Very high31 Ų3144.2 Ų44.219%0.18823%0.23CC..SBendtrans-124.1-2.8-176.3-60.80000112.4Q377 A378 V381 S406Q377-V408 CarbonylContact C-O 3.58Å; Q377-V408 VanDerWaalsContact CA-O 3.32Å; Q377-V408 WeakPolarHBondContact CA-O 3.33Å; A378-V408 HydrophobicContact CB-CB 4.35Å; A378-V408 PolarHBondContact N-O 3.35Å; V381-V408 HydrophobicContact CB-CG1 4.32Å; V381-V408 HydrophobicContact CG1-CG1 3.85Å; V381-V408 HydrophobicContact CG2-CB 4.38Å; V381-V408 HydrophobicContact CG2-CG1 3.63Å; S406-V408 PolarHBondContact O-N 2.05Å; S406-V408 VanDerWaalsContact OG-CG2 3.26Å; S406-V408 WeakPolarHBondContact OG-CG2 3.07Å; S406-V408 PolarHBondContact OG-N 2.86Å
409S89.8Confident91.5Very high12 Ų1245.9 Ų45.98%0.08424%0.237CC..EExtended strand (participates in β ladder)trans-147.8149.6-178.160.20000114I376 S405 S406I376-S409 CarbonylContact O-C 3.56Å; I376-S409 WeakPolarHBondContact O-CA 3.45Å; I376-S409 WeakPolarHBondContact O-CB 3.08Å; S405-S409 PolarHBondContact N-O 3.09Å; S406-S409 PolarHBondContact N-O 3.19Å; S406-S409 PolarHBondContact OG-N 2.86Å; S406-S409 PolarHBondContact OG-OG 3.11Å
410A91.1Very high91.2Very high0 Ų045.1 Ų45.10%024%0.239CC..EExtended strand (participates in β ladder)trans-140148.8172.200000109.9I376 F389 L402 R403I376-A410 PolarHBondContact N-O 3.45Å; I376-A410 PolarHBondContact O-N 3.44Å; F389-A410 HydrophobicContact CB-CB 3.85Å; F389-A410 HydrophobicContact CD1-CB 4.28Å; F389-A410 HydrophobicContact CD2-CB 3.9Å; F389-A410 HydrophobicContact CG-CB 3.75Å; L402-A410 HydrophobicContact CD1-CB 4.08Å; L402-A410 HydrophobicContact CD2-CB 4.39Å; L402-A410 HydrophobicContact CG-CB 4.08Å; R403-A410 CarbonylContact O-C 3.58Å; R403-A410 WeakPolarHBondContact O-CA 2.99Å
411M93.5Very high90.9Very high27 Ų2749.5 Ų49.513%0.13327%0.268CS..EExtended strand (participates in β ladder)trans-108126177.6-171.462.576.500109.7D372 F374 Q375 R403 V413D372-M411 HydrophobicContact CB-CE 4.36Å; D372-M411 HydrophobicContact CB-CG 3.75Å; D372-M411 HydrophobicContact CB-SD 3.93Å; F374-M411 VanDerWaalsContact C-SD 3.54Å; F374-M411 VanDerWaalsContact O-SD 3.37Å; Q375-M411 HydrophobicContact CB-CE 3.84Å; Q375-M411 HydrophobicContact CB-SD 3.98Å; Q375-M411 HydrophobicContact CG-CE 4.06Å; R403-M411 PolarHBondContact N-O 3.42Å; R403-M411 PolarHBondContact O-N 2.92Å; M411-V413 HydrophobicContact CG-CG2 4.27Å
412L94.1Very high90.8Very high0 Ų049.3 Ų49.30%027%0.267CS..EExtended strand (participates in β ladder)trans-79.1120166.9-168.768.5000108.2I373 F374 I391 F400 L402 L428 L447 I449I373-L412 HydrophobicContact CD1-CD2 3.96Å; I373-L412 HydrophobicContact CD1-CG 4.25Å; I373-L412 HydrophobicContact CG1-CB 4.33Å; I373-L412 HydrophobicContact CG1-CD2 4.25Å; I373-L412 HydrophobicContact CG1-CG 4.21Å; I373-L412 VanDerWaalsContact CG1-O 3.3Å; I373-L412 WeakPolarHBondContact CG1-O 3.42Å; I373-L412 PolarHBondContact N-O 3.34Å; F374-L412 HydrophobicContact CB-CB 4.01Å; F374-L412 HydrophobicContact CB-CD2 4.28Å; F374-L412 PolarHBondContact N-O 3.19Å; F374-L412 WeakPolarHBondContact O-CB 3.36Å; F374-L412 PolarHBondContact O-N 3.18Å; I391-L412 HydrophobicContact CD1-CD1 4.16Å; I391-L412 HydrophobicContact CG1-CD1 4.46Å; F400-L412 HydrophobicContact CB-CD1 3.94Å; F400-L412 HydrophobicContact CD1-CD2 4.27Å; F400-L412 HydrophobicContact CD1-CG 4.39Å; L402-L412 HydrophobicContact CD1-CB 4.34Å; L402-L412 HydrophobicContact CD1-CD1 4.1Å; L412-L428 HydrophobicContact CD1-CD2 3.99Å; L412-L428 HydrophobicContact CD2-CD1 4.43Å; L412-L447 HydrophobicContact CD2-CD2 3.76Å; L412-I449 HydrophobicContact CD2-CD1 4.31Å
413V93.6Very high90.8Very high7 Ų750.7 Ų50.74%0.04227%0.273CS..EExtended strand (participates in β ladder)trans-111.1126.9-178-1730000108.2P370 A371 D372 F400 F401 R403 M411P370-V413 HydrophobicContact CB-CG1 4.13Å; A371-V413 CarbonylContact O-C 3.48Å; A371-V413 VanDerWaalsContact O-CA 3.31Å; A371-V413 WeakPolarHBondContact O-CA 3.1Å; D372-V413 WeakPolarHBondContact OD1-CG2 3.48Å; F400-V413 WeakPolarHBondContact CA-O 3.49Å; F401-V413 HydrophobicContact CD1-CB 4.49Å; F401-V413 PolarHBondContact N-O 3.49Å; F401-V413 PolarHBondContact O-N 3.38Å; R403-V413 HydrophobicContact CB-CG2 3.98Å; M411-V413 HydrophobicContact CG-CG2 4.27Å
414L93.9Very high90.9Very high0 Ų046.7 Ų46.70%026%0.258CS..EExtended strand (participates in β ladder)trans-78.2122.5169.7-171.270.1000109.2I363 V369 P370 A371 I373 E399 F400 K416 L418I363-L414 HydrophobicContact CD1-CD2 4.37Å; V369-L414 HydrophobicContact CG1-CB 4.26Å; V369-L414 HydrophobicContact CG1-CD2 3.76Å; V369-L414 HydrophobicContact CG1-CG 3.77Å; P370-L414 VanDerWaalsContact CA-O 3.3Å; P370-L414 WeakPolarHBondContact CA-O 3.44Å; A371-L414 HydrophobicContact CB-CB 4.43Å; A371-L414 PolarHBondContact N-O 3.43Å; A371-L414 PolarHBondContact O-N 3.03Å; I373-L414 HydrophobicContact CD1-CB 4.16Å; I373-L414 HydrophobicContact CG1-CB 4.4Å; I373-L414 HydrophobicContact CG2-CB 3.92Å; E399-L414 WeakPolarHBondContact O-CD1 3.41Å; F400-L414 HydrophobicContact CD1-CD1 3.94Å; F400-L414 HydrophobicContact CE1-CD1 3.67Å; F400-L414 HydrophobicContact CZ-CD1 4.47Å; L414-K416 VanDerWaalsContact CD1-O 3.3Å; L414-K416 WeakPolarHBondContact CD1-O 3.47Å; L414-K416 WeakPolarHBondContact CG-O 3.42Å; L414-L418 HydrophobicContact CD1-CD1 3.72Å; L414-L418 HydrophobicContact CD1-CD2 4.06Å; L414-L418 HydrophobicContact CD1-CG 3.66Å; L414-L418 HydrophobicContact CD2-CG 4.32Å
415T93.3Very high91.3Very high57 Ų5743.9 Ų43.935%0.3525%0.254SS..  trans-104.6-18.5-176.957.70000113G398 E399 F401G398-T415 PolarHBondContact O-OG1 2.04Å; E399-T415 PolarHBondContact O-N 3.26Å; E399-T415 PolarHBondContact O-OG1 3.42Å; F401-T415 HydrophobicContact CB-CG2 3.54Å
416K93.2Very high91.7Very high101 Ų10140.8 Ų40.844%0.43923%0.233SC..SBendtrans-131.8141.8177.3-63.2179.9-177.4175.70109.5G397 E399 L414G397-K416 PolarHBondContact O-NZ 2.67Å; E399-K416 HydrophobicContact CB-CB 4.42Å; E399-K416 HydrophobicContact CG-CB 4.33Å; E399-K416 HydrophobicContact CG-CD 4.37Å; L414-K416 VanDerWaalsContact CD1-O 3.3Å; L414-K416 WeakPolarHBondContact CD1-O 3.47Å; L414-K416 WeakPolarHBondContact CG-O 3.42Å
417P93.1Very high92.2Very high60 Ų6039.6 Ų39.639%0.3922%0.223SC..PPolyproline II helixtrans-58.7143.2172.726.5-32.6000109.7E366E366-P417 WeakPolarHBondContact OE2-CB 3.39Å
418L93.3Very high92.7Very high3 Ų336.9 Ų36.92%0.01621%0.208CC..PPolyproline II helixtrans-102.8128.3175.2-60-177.2000108.9I363 S365 E366 E399 F400 L414 Y424 V451I363-L418 HydrophobicContact CD1-CB 4.39Å; I363-L418 HydrophobicContact CD1-CD1 3.74Å; I363-L418 HydrophobicContact CD1-CG 4.36Å; S365-L418 WeakPolarHBondContact CA-O 3.26Å; S365-L418 PolarHBondContact OG-O 2.87Å; E366-L418 PolarHBondContact N-O 2.02Å; E399-L418 HydrophobicContact CB-CD2 3.77Å; E399-L418 HydrophobicContact CG-CD2 3.72Å; F400-L418 HydrophobicContact CE1-CD1 4.01Å; F400-L418 HydrophobicContact CZ-CD1 3.79Å; L414-L418 HydrophobicContact CD1-CD1 3.72Å; L414-L418 HydrophobicContact CD1-CD2 4.06Å; L414-L418 HydrophobicContact CD1-CG 3.66Å; L414-L418 HydrophobicContact CD2-CG 4.32Å; L418-Y424 HydrophobicContact CB-CE2 4.1Å; L418-Y424 HydrophobicContact CD1-CD2 3.94Å; L418-Y424 HydrophobicContact CD1-CE2 4.04Å; L418-Y424 HydrophobicContact CD1-CG 4.24Å; L418-Y424 HydrophobicContact CD2-CD1 4.39Å; L418-Y424 HydrophobicContact CD2-CE1 3.89Å; L418-Y424 HydrophobicContact CD2-CE2 4.23Å; L418-Y424 HydrophobicContact CG-CE2 4.35Å; L418-V451 HydrophobicContact CB-CG1 4.13Å; L418-V451 HydrophobicContact CB-CG2 3.81Å; L418-V451 HydrophobicContact CD1-CG2 3.9Å; L418-V451 HydrophobicContact CG-CG2 4.49Å
419S91.1Very high93Very high68 Ų6835.8 Ų35.848%0.47620%0.201SC..PPolyproline II helixtrans-88133.2170.6-43.30000109.7S365 E366 Y424S365-S419 WeakPolarHBondContact OG-CA 3.03Å; E366-S419 WeakPolarHBondContact OE1-CA 3.41Å; E366-S419 WeakPolarHBondContact OE1-CB 3.08Å; E366-S419 PolarHBondContact OE1-OG 3.01Å; S419-Y424 PolarHBondContact O-OH 3.49Å
420G87.4Confident92.9Very high23 Ų2335.3 Ų35.324%0.23720%0.198CC..SBendtrans-110.2-175.2171.400000113.4S365 G452S365-G420 PolarHBondContact OG-N 3Å; S365-G420 VanDerWaalsContact OG-N 3.12Å; G420-G452 VanDerWaalsContact CA-O 3.29Å; G420-G452 WeakPolarHBondContact CA-O 3.26Å
421P91Very high92.7Very high98 Ų9837.4 Ų37.464%0.63621%0.208SC*.SBendcis-73.6118.9-4.729.3-32000110.7V451 A453P421-V451 WeakPolarHBondContact CA-O 3.5Å; P421-A453 HydrophobicContact CB-CB 4.08Å; P421-A453 HydrophobicContact CG-CB 4.12Å
422K92.4Very high92.3Very high114 Ų11436.3 Ų36.350%0.49620%0.203SC..EExtended strand (participates in β ladder)trans-157.7149.4-177.9-173.3172.6169.7-163.70111.6Y424 V451K422-Y424 HydrophobicContact CB-CE2 4Å; K422-Y424 HydrophobicContact CD-CE1 4.47Å; K422-Y424 HydrophobicContact CD-CE2 4.08Å; K422-Y424 HydrophobicContact CG-CD2 4.5Å; K422-Y424 HydrophobicContact CG-CE2 3.94Å; K422-V451 PolarHBondContact N-O 3.25Å; K422-V451 WeakPolarHBondContact O-CB 3.03Å; K422-V451 PolarHBondContact O-N 3.12Å
423E93.7Very high91.8Very high57 Ų5738.3 Ų38.327%0.26621%0.213SC..EExtended strand (participates in β ladder)trans-104.1137.1174.2-62-172.8159.100112.2R322 Y324 I449 I450R322-E423 WeakPolarHBondContact CD-OE1 3.44Å; R322-E423 IonicContact CZ-OE1 3.65Å; R322-E423 IonicContact CZ-OE2 3.98Å; R322-E423 IonicContact NE-OE1 3.53Å; R322-E423 PolarHBondContact NE-OE1 3.32Å; R322-E423 VanDerWaalsContact NE-OE1 3.16Å; R322-E423 IonicContact NH1-OE1 3.06Å; R322-E423 PolarHBondContact NH1-OE1 3.37Å; R322-E423 IonicContact NH1-OE2 3.8Å; R322-E423 PolarHBondContact NH1-OE2 2.04Å; R322-E423 IonicContact NH2-OE1 3.21Å; R322-E423 IonicContact NH2-OE2 2.74Å; R322-E423 PolarHBondContact NH2-OE2 3.29Å; R322-E423 VanDerWaalsContact NH2-OE2 3.13Å; Y324-E423 PolarHBondContact OH-OE1 3.37Å; Y324-E423 VanDerWaalsContact OH-OE1 3.04Å; E423-I449 WeakPolarHBondContact CA-O 3.07Å; E423-I450 HydrophobicContact CG-CG1 4.26Å; E423-I450 HydrophobicContact CG-CG2 4.35Å
424Y94.8Very high91.3Very high31 Ų3139.7 Ų39.712%0.12222%0.219CC..EExtended strand (participates in β ladder)trans-117.2120.6174.6-63.1-99.9000108F400 L418 S419 K422 T448 I449 V451F400-Y424 HydrophobicContact CE2-CD1 4.32Å; F400-Y424 HydrophobicContact CZ-CD1 4.37Å; F400-Y424 HydrophobicContact CZ-CG 4.3Å; L418-Y424 HydrophobicContact CB-CE2 4.1Å; L418-Y424 HydrophobicContact CD1-CD2 3.94Å; L418-Y424 HydrophobicContact CD1-CE2 4.04Å; L418-Y424 HydrophobicContact CD1-CG 4.24Å; L418-Y424 HydrophobicContact CD2-CD1 4.39Å; L418-Y424 HydrophobicContact CD2-CE1 3.89Å; L418-Y424 HydrophobicContact CD2-CE2 4.23Å; L418-Y424 HydrophobicContact CG-CE2 4.35Å; S419-Y424 PolarHBondContact O-OH 3.49Å; K422-Y424 HydrophobicContact CB-CE2 4Å; K422-Y424 HydrophobicContact CD-CE1 4.47Å; K422-Y424 HydrophobicContact CD-CE2 4.08Å; K422-Y424 HydrophobicContact CG-CD2 4.5Å; K422-Y424 HydrophobicContact CG-CE2 3.94Å; Y424-T448 WeakPolarHBondContact O-CA 3.36Å; Y424-I449 PolarHBondContact N-O 3.45Å; Y424-I449 PolarHBondContact O-N 3.43Å; Y424-V451 HydrophobicContact CD2-CG2 3.65Å; Y424-V451 HydrophobicContact CE2-CB 4.46Å; Y424-V451 HydrophobicContact CE2-CG2 3.6Å
425V95.7Very high90.6Very high65 Ų6544.6 Ų44.639%0.39424%0.244SC..EExtended strand (participates in β ladder)trans-103.7112.6176.7-178.20000107.9G394 R446 L447 T448G394-V425 VanDerWaalsContact CA-O 3.27Å; G394-V425 WeakPolarHBondContact CA-O 3.08Å; V425-R446 HydrophobicContact CG1-CG 3.66Å; V425-L447 WeakPolarHBondContact CA-O 3.11Å; V425-T448 HydrophobicContact CG2-CG2 4.4Å
426V96.3Very high89.9Confident0 Ų046.4 Ų46.40%026%0.255CS..EExtended strand (participates in β ladder)trans-111.8121.5-179.2-171.60000109.3I391 F400 L428 L447 I449I391-V426 HydrophobicContact CG2-CG1 3.86Å; F400-V426 HydrophobicContact CD2-CG2 3.71Å; F400-V426 HydrophobicContact CE1-CG2 4.46Å; F400-V426 HydrophobicContact CE2-CG2 3.49Å; F400-V426 VanDerWaalsContact CE2-CG2 3.49Å; F400-V426 HydrophobicContact CG-CG2 4.29Å; F400-V426 HydrophobicContact CZ-CG2 3.9Å; V426-L428 HydrophobicContact CG1-CD2 3.86Å; V426-L428 HydrophobicContact CG1-CG 4.14Å; V426-L447 PolarHBondContact N-O 2.91Å; V426-L447 PolarHBondContact O-N 2.89Å; V426-I449 HydrophobicContact CG2-CD1 4.2Å
427D95.4Very high89Confident18 Ų1848.4 Ų48.410%0.09627%0.268CS..EExtended strand (participates in β ladder)trans-92.9112.1177.1-84.6-5.5000109K392 A393 L444 R446K392-D427 HydrophobicContact CB-CB 4.27Å; K392-D427 WeakPolarHBondContact CB-O 3.49Å; K392-D427 PolarHBondContact N-O 3.42Å; A393-D427 HydrophobicContact CB-CB 4.08Å; A393-D427 PolarHBondContact N-O 3.4Å; A393-D427 PolarHBondContact O-N 2.77Å; D427-L444 HydrophobicContact CB-CD1 4.11Å; D427-R446 WeakPolarHBondContact OD1-CB 3.17Å; D427-R446 WeakPolarHBondContact OD1-CG 3.4Å; D427-R446 IonicContact OD1-CZ 2.85Å; D427-R446 IonicContact OD1-NE 3.61Å; D427-R446 PolarHBondContact OD1-NE 2.92Å; D427-R446 IonicContact OD1-NH2 3.62Å; D427-R446 IonicContact OD2-CZ 2.75Å; D427-R446 IonicContact OD2-NE 3.61Å; D427-R446 IonicContact OD2-NH2 2.72Å; D427-R446 PolarHBondContact OD2-NH2 3.25Å
428L94.6Very high88.2Confident2 Ų251.2 Ų51.21%0.0128%0.28CS..EExtended strand (participates in β ladder)trans-106.3123.3-178-59.3164.8000108.9I376 I391 L402 L412 V426 L445 L447I376-L428 HydrophobicContact CD1-CB 3.9Å; I376-L428 HydrophobicContact CD1-CD1 3.65Å; I376-L428 HydrophobicContact CD1-CD2 4.13Å; I376-L428 HydrophobicContact CD1-CG 4.09Å; I376-L428 HydrophobicContact CG1-CD1 4.16Å; I391-L428 HydrophobicContact CG1-CD2 3.86Å; L402-L428 HydrophobicContact CD1-CD2 4.39Å; L412-L428 HydrophobicContact CD1-CD2 3.99Å; L412-L428 HydrophobicContact CD2-CD1 4.43Å; V426-L428 HydrophobicContact CG1-CD2 3.86Å; V426-L428 HydrophobicContact CG1-CG 4.14Å; L428-L445 HydrophobicContact CB-CB 4.21Å; L428-L445 HydrophobicContact CB-CD2 4.39Å; L428-L445 HydrophobicContact CD1-CD2 3.86Å; L428-L445 HydrophobicContact CD1-CG 4.44Å; L428-L445 PolarHBondContact N-O 3.14Å; L428-L445 PolarHBondContact O-N 2.96Å; L428-L447 HydrophobicContact CD1-CB 4.18Å; L428-L447 HydrophobicContact CD1-CD2 4.13Å
429E92Very high87.5Confident9 Ų957 Ų574%0.04230%0.302CS..EExtended strand (participates in β ladder)trans-112.5129.1-177.3-168.9179-115.200111F389 R390 K392 I431 L444F389-E429 WeakPolarHBondContact CA-O 3.3Å; R390-E429 HydrophobicContact CG-CB 4.17Å; R390-E429 IonicContact CZ-OE2 2.88Å; R390-E429 PolarHBondContact N-O 3.27Å; R390-E429 IonicContact NE-OE2 3.83Å; R390-E429 PolarHBondContact NE-OE2 3.5Å; R390-E429 IonicContact NH2-OE2 2.66Å; R390-E429 PolarHBondContact NH2-OE2 2.89Å; R390-E429 PolarHBondContact O-N 2.73Å; K392-E429 HydrophobicContact CB-CB 4.14Å; K392-E429 HydrophobicContact CD-CB 4.31Å; K392-E429 IonicContact NZ-OE1 3.69Å; K392-E429 PolarHBondContact NZ-OE1 2.97Å; E429-I431 HydrophobicContact CG-CG1 4.22Å; E429-L444 HydrophobicContact CB-CD1 4.18Å
430M88.5Confident86.9Confident1 Ų162.5 Ų62.51%0.00531%0.313CS..EExtended strand (participates in β ladder)trans-102.8126.7166.4-177-175.575.200109.1V6 L8 A378 N387 S388 F389 S442 S443V6-M430 HydrophobicContact CG1-CE 3.92Å; L8-M430 HydrophobicContact CD1-CB 3.65Å; L8-M430 HydrophobicContact CD1-CE 4.32Å; L8-M430 HydrophobicContact CD1-SD 4.49Å; L8-M430 HydrophobicContact CD2-CB 4.02Å; L8-M430 HydrophobicContact CD2-CE 4.25Å; L8-M430 HydrophobicContact CD2-CG 4.44Å; L8-M430 HydrophobicContact CD2-SD 3.66Å; L8-M430 HydrophobicContact CG-CB 4Å; L8-M430 HydrophobicContact CG-CE 3.7Å; L8-M430 HydrophobicContact CG-SD 3.79Å; A378-M430 HydrophobicContact CB-SD 3.75Å; N387-M430 HydrophobicContact CB-CG 4.26Å; N387-M430 HydrophobicContact CB-SD 4.39Å; S388-M430 CarbonylContact O-C 3.54Å; S388-M430 WeakPolarHBondContact O-CA 3.48Å; F389-M430 HydrophobicContact CD1-CB 4.02Å; F389-M430 HydrophobicContact CD1-CG 3.94Å; F389-M430 HydrophobicContact CE1-CB 4.08Å; F389-M430 HydrophobicContact CE1-CG 3.63Å; F389-M430 HydrophobicContact CE1-SD 3.69Å; F389-M430 HydrophobicContact CZ-CG 4.27Å; F389-M430 HydrophobicContact CZ-SD 4.15Å; M430-S442 CarbonylContact O-C 3.54Å; M430-S442 WeakPolarHBondContact O-CA 3.4Å; M430-S443 PolarHBondContact N-O 3.07Å; M430-S443 PolarHBondContact O-N 3.29Å
431I87.1Confident86.5Confident44 Ų4462.1 Ų62.123%0.22631%0.307CS..EExtended strand (participates in β ladder)trans-110.4115.6173.3-55.8172.9000107.6N387 S388 E429 A441N387-I431 WeakPolarHBondContact CA-O 3.38Å; S388-I431 PolarHBondContact N-O 2.97Å; S388-I431 PolarHBondContact O-N 2.74Å; E429-I431 HydrophobicContact CG-CG1 4.22Å; I431-A441 CarbonylContact C-O 3.56Å; I431-A441 WeakPolarHBondContact CA-O 3.4Å
432T84.4Confident86.1Confident4 Ų459 Ų593%0.02529%0.288CS..EExtended strand (participates in β ladder)trans-98123.3174.2-57.30000109.6V6 T385 N387 R440 A441V6-T432 HydrophobicContact CB-CG2 4.44Å; V6-T432 HydrophobicContact CG1-CG2 4.04Å; V6-T432 WeakPolarHBondContact CG1-OG1 3.32Å; V6-T432 HydrophobicContact CG2-CG2 4.06Å; T385-T432 HydrophobicContact CG2-CG2 3.87Å; N387-T432 WeakPolarHBondContact OD1-CB 3.42Å; N387-T432 VanDerWaalsContact OD1-CG2 3.28Å; N387-T432 WeakPolarHBondContact OD1-CG2 3.33Å; N387-T432 PolarHBondContact OD1-OG1 2.79Å; T432-R440 WeakPolarHBondContact O-CA 3.47Å; T432-A441 PolarHBondContact N-O 2.7Å; T432-A441 PolarHBondContact O-N 2.81Å
433H84.1Confident85.7Confident43 Ų4354 Ų5420%0.19927%0.266CS..EExtended strand (participates in β ladder)trans-107.9119172.3-172.9-130.1000109.8T385 H386 N438 Y439T385-H433 WeakPolarHBondContact CA-O 3.29Å; H386-H433 PolarHBondContact N-O 3.04Å; H386-H433 PolarHBondContact O-N 2.82Å; H433-N438 PolarHBondContact NE2-OD1 3.32Å; H433-Y439 PolarHBondContact CD2-O 2.82Å
434H82.1Confident85.6Confident36 Ų3651.4 Ų51.417%0.16726%0.255CS..EExtended strand (participates in β ladder)trans-86.6112.3174.6-163.3-56000109.3T385 T436 M437 N438 Y439T385-H434 HydrophobicContact CG2-CB 4.34Å; H434-T436 PolarHBondContact CE1-OG1 2.77Å; H434-T436 PolarHBondContact ND1-N 2.6Å; H434-T436 PolarHBondContact ND1-OG1 3.34Å; H434-T436 VanDerWaalsContact ND1-OG1 3.13Å; H434-T436 PolarHBondContact O-N 2.93Å; H434-M437 PolarHBondContact ND1-N 2.78Å; H434-N438 WeakPolarHBondContact O-CA 3.41Å; H434-N438 PolarHBondContact O-N 3.41Å; H434-Y439 PolarHBondContact N-O 2.91Å; H434-Y439 PolarHBondContact O-N 3.16Å
435L78.9Confident85.5Confident103 Ų10350.3 Ų50.354%0.53925%0.251SS..THydrogen-bonded Turntrans-67.5-34.4-168-62.9173.7000113.1N384N384-L435 PolarHBondContact O-N 3.5Å
436T79.3Confident85.5Confident95 Ų9550 Ų5058%0.58324%0.243SC*.THydrogen-bonded Turntrans-84.5-36.9-178.962.10000114.4N384 H434N384-T436 HydrophobicContact CB-CG2 4.18Å; H434-T436 PolarHBondContact CE1-OG1 2.77Å; H434-T436 PolarHBondContact ND1-N 2.6Å; H434-T436 PolarHBondContact ND1-OG1 3.34Å; H434-T436 VanDerWaalsContact ND1-OG1 3.13Å; H434-T436 PolarHBondContact O-N 2.93Å
437M74.6Confident85.4Confident142 Ų14250 Ų5070%0.724%0.243SC*.THydrogen-bonded Turntrans-91.3-3.9-179.7-60.7-169.4-171.400112.9H434 Y439H434-M437 PolarHBondContact ND1-N 2.78Å; M437-Y439 PolarHBondContact O-N 2.67Å; M437-Y439 VanDerWaalsContact O-N 3.15Å
438N76.9Confident85.4Confident119 Ų11949.7 Ų49.764%0.63624%0.241SC*.THydrogen-bonded Turntrans47.338.6-172.8-16326000113.5H433 H434H433-N438 PolarHBondContact NE2-OD1 3.32Å; H434-N438 WeakPolarHBondContact O-CA 3.41Å; H434-N438 PolarHBondContact O-N 3.41Å
439Y77.4Confident85.4Confident125 Ų12549.6 Ų49.649%0.4924%0.241SC..EExtended strand (participates in β ladder)trans-100.2140.7-177.9175.4-105000110.1H433 H434 M437 A441H433-Y439 PolarHBondContact CD2-O 2.82Å; H434-Y439 PolarHBondContact N-O 2.91Å; H434-Y439 PolarHBondContact O-N 3.16Å; M437-Y439 PolarHBondContact O-N 2.67Å; M437-Y439 VanDerWaalsContact O-N 3.15Å; Y439-A441 HydrophobicContact CE1-CB 3.83Å
440R78.3Confident85.6Confident184 Ų18449.3 Ų49.369%0.69424%0.24SC*.EExtended strand (participates in β ladder)trans-118.2127.6175.9-70.7-176.7178.7-178.3-0.1109.7T432T432-R440 WeakPolarHBondContact O-CA 3.47Å
441A78.3Confident85.9Confident14 Ų1449.3 Ų49.312%0.11624%0.24CC..EExtended strand (participates in β ladder)trans-118.1142.6168.700000109.1I431 T432 Y439I431-A441 CarbonylContact C-O 3.56Å; I431-A441 WeakPolarHBondContact CA-O 3.4Å; T432-A441 PolarHBondContact N-O 2.7Å; T432-A441 PolarHBondContact O-N 2.81Å; Y439-A441 HydrophobicContact CE1-CB 3.83Å
442S82.9Confident86.1Confident34 Ų3447.2 Ų47.224%0.23823%0.229CC..EExtended strand (participates in β ladder)trans-117.8137.1172.459.90000109.5P354 M430P354-S442 WeakPolarHBondContact CD-O 3.33Å; P354-S442 WeakPolarHBondContact CD-OG 3.21Å; P354-S442 WeakPolarHBondContact CG-O 3.42Å; M430-S442 CarbonylContact O-C 3.54Å; M430-S442 WeakPolarHBondContact O-CA 3.4Å
443S84.6Confident86.4Confident7 Ų748.7 Ų48.75%0.04924%0.241CC..EExtended strand (participates in β ladder)trans-126.7131.1173.5-63.90000108.2V6 M430V6-S443 PolarHBondContact O-OG 2.77Å; V6-S443 VanDerWaalsContact O-OG 3.08Å; M430-S443 PolarHBondContact N-O 3.07Å; M430-S443 PolarHBondContact O-N 3.29Å
444L91.6Very high86.6Confident4 Ų449.4 Ų49.42%0.02124%0.243CC..EExtended strand (participates in β ladder)trans-102.2133.2-178.9-169.771.3000110P353 S355 I356 V357 K392 D427 E429P353-L444 HydrophobicContact CB-CB 3.82Å; P353-L444 HydrophobicContact CB-CD2 4.42Å; P353-L444 HydrophobicContact CG-CB 3.96Å; P353-L444 HydrophobicContact CG-CD2 3.66Å; P353-L444 HydrophobicContact CG-CG 4.37Å; S355-L444 PolarHBondContact O-N 3.05Å; S355-L444 VanDerWaalsContact O-N 3.08Å; I356-L444 CarbonylContact C-O 3.59Å; I356-L444 VanDerWaalsContact CA-O 3.31Å; I356-L444 WeakPolarHBondContact CA-O 3.41Å; I356-L444 HydrophobicContact CG1-CB 4.36Å; I356-L444 HydrophobicContact CG1-CD2 4.33Å; I356-L444 HydrophobicContact CG2-CD2 4.42Å; V357-L444 PolarHBondContact N-O 3.37Å; K392-L444 HydrophobicContact CB-CD1 4.48Å; K392-L444 HydrophobicContact CD-CD1 3.73Å; D427-L444 HydrophobicContact CB-CD1 4.11Å; E429-L444 HydrophobicContact CB-CD1 4.18Å
445L93Very high86.6Confident8 Ų851.4 Ų51.44%0.04226%0.259CS..EExtended strand (participates in β ladder)trans-112115.7168.1169.469.6000107.4L8 V357 K359 F374 I376 L428L8-L445 HydrophobicContact CD1-CB 4.48Å; V357-L445 HydrophobicContact CB-CD1 4.04Å; V357-L445 HydrophobicContact CG1-CD1 3.94Å; V357-L445 CarbonylContact O-C 3.57Å; V357-L445 WeakPolarHBondContact O-CA 3.28Å; K359-L445 HydrophobicContact CB-CD1 4Å; K359-L445 HydrophobicContact CG-CD1 3.56Å; F374-L445 HydrophobicContact CD1-CD2 4.48Å; F374-L445 HydrophobicContact CE1-CD2 3.52Å; F374-L445 HydrophobicContact CZ-CD2 3.98Å; I376-L445 HydrophobicContact CG1-CD2 4.35Å; I376-L445 HydrophobicContact CG2-CD2 4.43Å; L428-L445 HydrophobicContact CB-CB 4.21Å; L428-L445 HydrophobicContact CB-CD2 4.39Å; L428-L445 HydrophobicContact CD1-CD2 3.86Å; L428-L445 HydrophobicContact CD1-CG 4.44Å; L428-L445 PolarHBondContact N-O 3.14Å; L428-L445 PolarHBondContact O-N 2.96Å
446R94.6Very high86.3Confident58 Ų5849.6 Ų49.622%0.21925%0.247CC..EExtended strand (participates in β ladder)trans-93.6107.6170.9-178.4160.8-72.7162.2-2.1108.1E330 I356 V357 Y358 K359 V425 D427E330-R446 IonicContact OE1-NH1 2.78Å; E330-R446 PolarHBondContact OE1-NH1 2.96Å; I356-R446 HydrophobicContact CG2-CB 4.36Å; V357-R446 PolarHBondContact O-N 2.94Å; Y358-R446 WeakPolarHBondContact CA-O 3.48Å; Y358-R446 HydrophobicContact CD1-CB 4.15Å; Y358-R446 HydrophobicContact CD1-CG 4.25Å; Y358-R446 HydrophobicContact CE1-CB 4.27Å; Y358-R446 HydrophobicContact CE1-CG 4.26Å; K359-R446 PolarHBondContact N-O 3.08Å; V425-R446 HydrophobicContact CG1-CG 3.66Å; D427-R446 WeakPolarHBondContact OD1-CB 3.17Å; D427-R446 WeakPolarHBondContact OD1-CG 3.4Å; D427-R446 IonicContact OD1-CZ 2.85Å; D427-R446 IonicContact OD1-NE 3.61Å; D427-R446 PolarHBondContact OD1-NE 2.92Å; D427-R446 IonicContact OD1-NH2 3.62Å; D427-R446 IonicContact OD2-CZ 2.75Å; D427-R446 IonicContact OD2-NE 3.61Å; D427-R446 IonicContact OD2-NH2 2.72Å; D427-R446 PolarHBondContact OD2-NH2 3.25Å
447L95.6Very high86.7Confident0 Ų047.3 Ų47.30%023%0.23CC..EExtended strand (participates in β ladder)trans-101116.6179.9179.465.4000109.3K359 M361 F374 L412 V425 V426 L428 I449K359-L447 HydrophobicContact CB-CD1 3.86Å; K359-L447 CarbonylContact O-C 3.58Å; K359-L447 WeakPolarHBondContact O-CA 3.37Å; M361-L447 HydrophobicContact CG-CD1 3.99Å; M361-L447 HydrophobicContact CG-CG 4.49Å; M361-L447 HydrophobicContact SD-CD1 4.08Å; M361-L447 HydrophobicContact SD-CD2 3.94Å; M361-L447 HydrophobicContact SD-CG 4.33Å; F374-L447 HydrophobicContact CB-CD2 3.96Å; F374-L447 HydrophobicContact CD1-CD2 4.03Å; F374-L447 HydrophobicContact CD2-CD1 3.88Å; F374-L447 HydrophobicContact CD2-CD2 3.96Å; F374-L447 HydrophobicContact CE2-CD1 3.77Å; F374-L447 HydrophobicContact CE2-CD2 4.49Å; F374-L447 HydrophobicContact CG-CD1 4.44Å; F374-L447 HydrophobicContact CG-CD2 3.71Å; F374-L447 HydrophobicContact CZ-CD1 4.25Å; L412-L447 HydrophobicContact CD2-CD2 3.76Å; V425-L447 WeakPolarHBondContact CA-O 3.11Å; V426-L447 PolarHBondContact N-O 2.91Å; V426-L447 PolarHBondContact O-N 2.89Å; L428-L447 HydrophobicContact CD1-CB 4.18Å; L428-L447 HydrophobicContact CD1-CD2 4.13Å; L447-I449 HydrophobicContact CD2-CD1 4.11Å; L447-I449 HydrophobicContact CD2-CG1 4.05Å; L447-I449 HydrophobicContact CG-CD1 4.49Å; L447-I449 HydrophobicContact CG-CG1 3.94Å
448T95.1Very high87.3Confident11 Ų1142.3 Ų42.37%0.06721%0.205CC..EExtended strand (participates in β ladder)trans-95.5117.6171-57.60000108.9K359 Y360 M361 Y424 V425 I450K359-T448 PolarHBondContact O-N 2.82Å; Y360-T448 CarbonylContact C-O 3.48Å; Y360-T448 WeakPolarHBondContact CA-O 3.47Å; Y360-T448 HydrophobicContact CD1-CG2 4.21Å; M361-T448 PolarHBondContact N-O 2.95Å; Y424-T448 WeakPolarHBondContact O-CA 3.36Å; V425-T448 HydrophobicContact CG2-CG2 4.4Å; T448-I450 HydrophobicContact CG2-CG1 4.26Å
449I95.3Very high87.9Confident0 Ų038.1 Ų38.10%018%0.182CC..EExtended strand (participates in β ladder)trans-104.9115.4178-52.4172.8000107.3M361 I363 I373 F400 L412 E423 Y424 V426 L447 V451M361-I449 HydrophobicContact CG-CB 4.21Å; M361-I449 HydrophobicContact CG-CG1 3.83Å; M361-I449 HydrophobicContact CG-CG2 4.19Å; M361-I449 WeakPolarHBondContact O-CA 3.42Å; M361-I449 HydrophobicContact SD-CD1 4.38Å; M361-I449 HydrophobicContact SD-CG1 3.92Å; I363-I449 HydrophobicContact CD1-CG2 3.98Å; I363-I449 HydrophobicContact CG1-CG2 3.91Å; I363-I449 HydrophobicContact CG2-CG2 4.27Å; I373-I449 HydrophobicContact CD1-CD1 3.96Å; F400-I449 HydrophobicContact CD1-CD1 4.35Å; F400-I449 HydrophobicContact CE1-CD1 3.49Å; F400-I449 VanDerWaalsContact CE1-CD1 3.49Å; F400-I449 HydrophobicContact CZ-CD1 3.74Å; L412-I449 HydrophobicContact CD2-CD1 4.31Å; E423-I449 WeakPolarHBondContact CA-O 3.07Å; Y424-I449 PolarHBondContact N-O 3.45Å; Y424-I449 PolarHBondContact O-N 3.43Å; V426-I449 HydrophobicContact CG2-CD1 4.2Å; L447-I449 HydrophobicContact CD2-CD1 4.11Å; L447-I449 HydrophobicContact CD2-CG1 4.05Å; L447-I449 HydrophobicContact CG-CD1 4.49Å; L447-I449 HydrophobicContact CG-CG1 3.94Å; I449-V451 HydrophobicContact CG2-CG2 4.49Å
450I95.3Very high88.5Confident4 Ų432.9 Ų32.92%0.02116%0.163CC..EExtended strand (participates in β ladder)trans-98.7115.8179.9-50.5163.2000107.5W315 Y317 Y324 M361 S362 I363 E423 T448W315-I450 VanDerWaalsContact CD1-CD1 3.44Å; W315-I450 HydrophobicContact CG-CD1 4.45Å; Y317-I450 HydrophobicContact CD1-CD1 4.3Å; Y317-I450 HydrophobicContact CD1-CG2 3.71Å; Y317-I450 HydrophobicContact CD2-CG2 3.64Å; Y317-I450 HydrophobicContact CE1-CG2 4.13Å; Y317-I450 HydrophobicContact CE2-CG2 4.09Å; Y317-I450 HydrophobicContact CG-CB 4.27Å; Y317-I450 HydrophobicContact CG-CG2 3.45Å; Y317-I450 VanDerWaalsContact CG-CG2 3.45Å; Y324-I450 HydrophobicContact CE2-CD1 4.05Å; Y324-I450 WeakPolarHBondContact OH-CD1 3.16Å; M361-I450 PolarHBondContact O-N 2.84Å; S362-I450 CarbonylContact C-O 3.6Å; S362-I450 VanDerWaalsContact CA-O 3.25Å; S362-I450 WeakPolarHBondContact CA-O 3.01Å; I363-I450 PolarHBondContact N-O 3.28Å; E423-I450 HydrophobicContact CG-CG1 4.26Å; E423-I450 HydrophobicContact CG-CG2 4.35Å; T448-I450 HydrophobicContact CG2-CG1 4.26Å
451V94.4Very high89.1Confident0 Ų023.5 Ų23.50%013%0.13CC..EExtended strand (participates in β ladder)trans-95.4123.3179.9-171.70000108.1I363 L418 P421 K422 Y424 I449I363-V451 HydrophobicContact CD1-CG2 3.99Å; I363-V451 HydrophobicContact CG1-CB 4.37Å; I363-V451 HydrophobicContact CG1-CG1 4.33Å; I363-V451 HydrophobicContact CG1-CG2 3.83Å; I363-V451 WeakPolarHBondContact O-CA 3.32Å; L418-V451 HydrophobicContact CB-CG1 4.13Å; L418-V451 HydrophobicContact CB-CG2 3.81Å; L418-V451 HydrophobicContact CD1-CG2 3.9Å; L418-V451 HydrophobicContact CG-CG2 4.49Å; P421-V451 WeakPolarHBondContact CA-O 3.5Å; K422-V451 PolarHBondContact N-O 3.25Å; K422-V451 WeakPolarHBondContact O-CB 3.03Å; K422-V451 PolarHBondContact O-N 3.12Å; Y424-V451 HydrophobicContact CD2-CG2 3.65Å; Y424-V451 HydrophobicContact CE2-CB 4.46Å; Y424-V451 HydrophobicContact CE2-CG2 3.6Å; I449-V451 HydrophobicContact CG2-CG2 4.49Å
452G92.1Very high89.9Confident0 Ų024.1 Ų24.10%013%0.131CC..  trans-62.1163.9177.400000112.8Y318 I363 S365 G420 Y454Y318-G452 WeakPolarHBondContact O-CA 3.21Å; I363-G452 PolarHBondContact O-N 2.75Å; S365-G452 WeakPolarHBondContact CB-O 3.47Å; G420-G452 VanDerWaalsContact CA-O 3.29Å; G420-G452 WeakPolarHBondContact CA-O 3.26Å; G452-Y454 VanDerWaalsContact C-N 3.33Å
453A89.6Confident90.4Very high35 Ų3523.4 Ų23.429%0.28912%0.124SC..SBendtrans-72.7-26.5-178.200000113.6P421P421-A453 HydrophobicContact CB-CB 4.08Å; P421-A453 HydrophobicContact CG-CB 4.12Å
454Y89.3Confident90.8Very high58 Ų5824.7 Ų24.723%0.22713%0.129CC..SBendtrans-117.6148.9-169.1-55.5-76.7000112.4Y270 P284 Y287 S365 G452 F456Y270-Y454 AromaticContact CE2-CD1 3.77Å; Y270-Y454 HydrophobicContact CE2-CD1 3.77Å; Y270-Y454 HydrophobicContact CE2-CE1 4.01Å; Y270-Y454 AromaticContact CZ-CE1 4Å; P284-Y454 HydrophobicContact CB-CD1 4.23Å; P284-Y454 HydrophobicContact CB-CD2 3.94Å; P284-Y454 HydrophobicContact CB-CE1 3.72Å; P284-Y454 HydrophobicContact CB-CE2 3.4Å; P284-Y454 HydrophobicContact CB-CG 4.33Å; P284-Y454 HydrophobicContact CG-CD1 4.22Å; P284-Y454 HydrophobicContact CG-CD2 3.62Å; P284-Y454 HydrophobicContact CG-CE1 4.21Å; P284-Y454 HydrophobicContact CG-CE2 3.62Å; P284-Y454 HydrophobicContact CG-CG 3.94Å; Y287-Y454 HydrophobicContact CD2-CD2 4.39Å; Y287-Y454 AromaticContact CE2-CD2 3.83Å; Y287-Y454 HydrophobicContact CE2-CD2 3.83Å; Y287-Y454 HydrophobicContact CE2-CE2 4.46Å; S365-Y454 WeakPolarHBondContact CB-O 3.35Å; S365-Y454 PolarHBondContact N-O 2.77Å; G452-Y454 VanDerWaalsContact C-N 3.33Å; Y454-F456 HydrophobicContact CD2-CE2 4.16Å; Y454-F456 AromaticContact CG-CE2 3.87Å; Y454-F456 HydrophobicContact CG-CE2 3.87Å; Y454-F456 HydrophobicContact CG-CZ 4.16Å; Y454-F456 PolarHBondContact O-N 2.04Å
455P82.4Confident90.7Very high79 Ų7926.4 Ų26.451%0.51314%0.138SC..  trans-91.619.1-168.937.7-38.8000116.1S365 E366S365-P455 WeakPolarHBondContact O-CA 3.03Å; E366-P455 HydrophobicContact CB-CB 3.71Å; E366-P455 HydrophobicContact CG-CB 3.99Å
456F72.2Confident90.5Very high64 Ų6428.1 Ų28.128%0.28115%0.147SC..  trans-45.40-168.4-66.8-50.7000117.7Q269 Y270 P284 Y287 Q364 Y454Q269-F456 HydrophobicContact CG-CD1 3.7Å; Q269-F456 HydrophobicContact CG-CE1 4.18Å; Q269-F456 HydrophobicContact CG-CG 4.44Å; Y270-F456 AromaticContact CD2-CE1 3.55Å; Y270-F456 HydrophobicContact CD2-CE1 3.55Å; Y270-F456 AromaticContact CD2-CZ 3.53Å; Y270-F456 HydrophobicContact CD2-CZ 3.53Å; Y270-F456 HydrophobicContact CE2-CZ 4.38Å; Y270-F456 AromaticContact CG-CE1 3.93Å; Y270-F456 HydrophobicContact CG-CE1 3.93Å; Y270-F456 AromaticContact CG-CZ 3.84Å; Y270-F456 HydrophobicContact CG-CZ 3.84Å; P284-F456 HydrophobicContact CG-CE2 3.72Å; P284-F456 HydrophobicContact CG-CZ 3.53Å; Y287-F456 HydrophobicContact CD1-CD2 4.36Å; Y287-F456 HydrophobicContact CD1-CE2 4.12Å; Y287-F456 HydrophobicContact CD2-CE2 4.2Å; Y287-F456 AromaticContact CE1-CD2 3.74Å; Y287-F456 HydrophobicContact CE1-CD2 3.74Å; Y287-F456 AromaticContact CE1-CE2 3.85Å; Y287-F456 HydrophobicContact CE1-CE2 3.85Å; Y287-F456 HydrophobicContact CE2-CD2 4.39Å; Y287-F456 AromaticContact CE2-CE2 3.91Å; Y287-F456 HydrophobicContact CE2-CE2 3.91Å; Y287-F456 HydrophobicContact CG-CE2 4.3Å; Y287-F456 AromaticContact CZ-CD2 3.75Å; Y287-F456 AromaticContact CZ-CE2 3.74Å; Q364-F456 PolarHBondContact NE2-O 3.45Å; Q364-F456 PolarHBondContact OE1-O 2.81Å; Y454-F456 HydrophobicContact CD2-CE2 4.16Å; Y454-F456 AromaticContact CG-CE2 3.87Å; Y454-F456 HydrophobicContact CG-CE2 3.87Å; Y454-F456 HydrophobicContact CG-CZ 4.16Å; Y454-F456 PolarHBondContact O-N 2.04Å

Retrieved 456 of 456 residues in 188.9 ms (Link to these results)