A0A3Q0KGU6_SCHMA Loading...

Putative wd-repeat protein

AlphaFold DB (A0A5K4EGE9), UniProt , Accession A0A3Q0KGU6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 421 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
1M31.8Very low34.1Very low252 Ų252141.3 Ų141.3100%1.24178%0.781SS**  090.80-71.6176.8-173.100108
2A31.9Very low36.8Very low100 Ų100136.6 Ų136.683%0.82675%0.752SS**  trans-101.892.2165.500000105.4V4A2-V4 PolarHBondContact O-N 3Å
3A34Very low40.1Very low89 Ų89127.8 Ų127.874%0.73671%0.709SS**  trans-63.7115.5169.500000106.3I5A3-I5 VanDerWaalsContact C-N 3.31Å; A3-I5 PolarHBondContact O-N 3.25Å
4V35.5Very low43.5Very low125 Ų125127.9 Ų127.976%0.75870%0.698SS**  trans-60.3103167.5177.60000105.2A2 Q6A2-V4 PolarHBondContact O-N 3Å; V4-Q6 HydrophobicContact CG1-CG 4.2Å; V4-Q6 PolarHBondContact O-N 3.2Å
5I28.2Very low46.7Very low156 Ų156119.7 Ų119.780%0.865%0.654SS**  trans-68.285.4169.7-59.6169.3000104.7A3 D7A3-I5 VanDerWaalsContact C-N 3.31Å; A3-I5 PolarHBondContact O-N 3.25Å; I5-D7 PolarHBondContact O-N 2.95Å
6Q30.1Very low49.6Very low150 Ų150120.9 Ų120.970%0.70165%0.654SS**  trans-64.4114.6162.3-88.1-179.3-18.200105.9V4 P8V4-Q6 HydrophobicContact CG1-CG 4.2Å; V4-Q6 PolarHBondContact O-N 3.2Å; Q6-P8 VanDerWaalsContact O-CD 3.26Å; Q6-P8 WeakPolarHBondContact O-CD 3.47Å; Q6-P8 VanDerWaalsContact O-N 3.08Å
7D29.1Very low52.2Low84 Ų84118.2 Ų118.245%0.44964%0.638SS.*  trans-46.7112.5171.7-179-5.1000109.7I5 S9 R10I5-D7 PolarHBondContact O-N 2.95Å; D7-S9 PolarHBondContact O-N 3.44Å; D7-S9 WeakPolarHBondContact OD1-CB 3.35Å; D7-S9 PolarHBondContact OD1-N 3.33Å; D7-S9 PolarHBondContact OD1-OG 3.3Å; D7-S9 PolarHBondContact OD2-OG 3.14Å; D7-S9 VanDerWaalsContact OD2-OG 3.11Å; D7-R10 PolarHBondContact O-N 2.98Å
8P30.1Very low54.4Low127 Ų127114.6 Ų114.683%0.82562%0.621SS**THydrogen-bonded Turntrans-61.4-15.4-177.9-20.231.3000113.2Q6Q6-P8 VanDerWaalsContact O-CD 3.26Å; Q6-P8 WeakPolarHBondContact O-CD 3.47Å; Q6-P8 VanDerWaalsContact O-N 3.08Å
9S34.2Very low56.3Low94 Ų94109.9 Ų109.966%0.65759%0.594SS**THydrogen-bonded Turntrans-83.1-10.6-178.972.70000114.3D7 Q11D7-S9 PolarHBondContact O-N 3.44Å; D7-S9 WeakPolarHBondContact OD1-CB 3.35Å; D7-S9 PolarHBondContact OD1-N 3.33Å; D7-S9 PolarHBondContact OD1-OG 3.3Å; D7-S9 PolarHBondContact OD2-OG 3.14Å; D7-S9 VanDerWaalsContact OD2-OG 3.11Å; S9-Q11 PolarHBondContact O-N 3.47Å
10R39.6Very low58.2Low187 Ų187108.7 Ų108.771%0.70658%0.583SS**  trans-96.179.4173.4-76.2-173.9176.6170.34.5110.4D7 I12D7-R10 PolarHBondContact O-N 2.98Å; R10-I12 PolarHBondContact O-N 3.06Å
11Q50.2Low59.8Low190 Ų190104 Ų10489%0.88856%0.557SS**  trans-56.7103.3163.1-139.9172.5-0.100107.5S9 A13S9-Q11 PolarHBondContact O-N 3.47Å; Q11-A13 PolarHBondContact O-N 2.9Å
12I67.4Low62.5Low85 Ų8596.3 Ų96.344%0.43652%0.521SS..  trans-65119.3176.2-61.5173000105.6R10 K14 I378R10-I12 PolarHBondContact O-N 3.06Å; I12-K14 WeakPolarHBondContact O-CG 3.45Å; I12-K14 PolarHBondContact O-N 3.49Å; I12-I378 HydrophobicContact CG2-CD1 3.78Å; I12-I378 HydrophobicContact CG2-CG1 4.23Å; I12-I378 HydrophobicContact CG2-CG2 4.02Å
13A79.7Confident65Low23 Ų2395.4 Ų95.419%0.1952%0.522CS..  trans-52.1129.6175.700000109.3Q11 A414 F415Q11-A13 PolarHBondContact O-N 2.9Å; A13-A414 HydrophobicContact CB-CB 4.08Å; A13-A414 WeakPolarHBondContact CB-O 3.33Å; A13-F415 HydrophobicContact CB-CD1 3.8Å; A13-F415 HydrophobicContact CB-CD2 4.21Å; A13-F415 HydrophobicContact CB-CE1 3.92Å; A13-F415 HydrophobicContact CB-CE2 4.31Å; A13-F415 HydrophobicContact CB-CG 3.96Å; A13-F415 HydrophobicContact CB-CZ 4.17Å; A13-F415 VanDerWaalsContact O-CZ 3.27Å; A13-F415 WeakPolarHBondContact O-CZ 3.26Å
14K86.7Confident67.5Low128 Ų12891.8 Ų91.856%0.55749%0.49SS*.  trans-131.5142.7179.9-73.6174.6-173-179.50108.9I12I12-K14 WeakPolarHBondContact O-CG 3.45Å; I12-K14 PolarHBondContact O-N 3.49Å
15P92.2Very high69.9Low6 Ų689.3 Ų89.34%0.03948%0.478CS..  trans-66.3137.8170.728.2-33.2000110F285 F380 W410 D411 I412P15-F285 HydrophobicContact CB-CZ 4.33Å; P15-F285 HydrophobicContact CG-CE2 4.2Å; P15-F285 HydrophobicContact CG-CZ 4.2Å; P15-F380 HydrophobicContact CG-CB 4.21Å; P15-F380 HydrophobicContact CG-CD1 3.43Å; P15-F380 VanDerWaalsContact CG-CD1 3.43Å; P15-F380 HydrophobicContact CG-CD2 3.78Å; P15-F380 HydrophobicContact CG-CE1 3.58Å; P15-F380 HydrophobicContact CG-CE2 3.92Å; P15-F380 HydrophobicContact CG-CG 3.51Å; P15-F380 HydrophobicContact CG-CZ 3.81Å; P15-W410 HydrophobicContact CB-CB 4.03Å; P15-W410 HydrophobicContact CB-CE3 4.4Å; P15-D411 CarbonylContact C-O 3.55Å; P15-D411 VanDerWaalsContact CA-O 3.29Å; P15-D411 WeakPolarHBondContact CA-O 3.11Å; P15-I412 HydrophobicContact CB-CG2 4.03Å
16E93.6Very high72.9Confident139 Ų13984 Ų8465%0.6546%0.455SS*.EExtended strand (participates in β ladder)trans-103.4129.9176.3-65.4-169.1170.600110.2V18 W410 D411E16-V18 PolarHBondContact O-N 3.04Å; E16-V18 VanDerWaalsContact O-N 3.14Å; E16-W410 CarbonylContact O-C 3.51Å; E16-W410 WeakPolarHBondContact O-CA 3.4Å; E16-D411 HydrophobicContact CB-CB 4.43Å; E16-D411 PolarHBondContact N-O 3.4Å; E16-D411 PolarHBondContact O-N 3.21Å
17L93.9Very high76Confident74 Ų7477.6 Ų77.639%0.38743%0.429SS..EExtended strand (participates in β ladder)trans-72.6110178.6-176.766.2000109.6F19 K408 W410L17-F19 WeakPolarHBondContact CD1-O 3.38Å; L17-K408 HydrophobicContact CD1-CB 3.67Å; L17-K408 HydrophobicContact CD1-CD 4.11Å; L17-K408 HydrophobicContact CD1-CG 3.89Å; L17-W410 HydrophobicContact CB-CE3 3.77Å; L17-W410 HydrophobicContact CB-CZ3 3.69Å; L17-W410 HydrophobicContact CD1-CD2 4.02Å; L17-W410 HydrophobicContact CD1-CE3 3.86Å; L17-W410 HydrophobicContact CD1-CH2 4.1Å; L17-W410 HydrophobicContact CD1-CZ2 4.25Å; L17-W410 HydrophobicContact CD1-CZ3 3.9Å; L17-W410 HydrophobicContact CG-CE3 4.43Å; L17-W410 HydrophobicContact CG-CZ3 4.3Å
18V91.2Very high79.2Confident54 Ų5473.9 Ų73.933%0.32741%0.409SS..EExtended strand (participates in β ladder)trans-87.2-41.5178.5179.60000110.6E16 R54 L397 V409 D411E16-V18 PolarHBondContact O-N 3.04Å; E16-V18 VanDerWaalsContact O-N 3.14Å; V18-R54 VanDerWaalsContact CG1-NH2 3.34Å; V18-L397 HydrophobicContact CG2-CD2 4.49Å; V18-V409 PolarHBondContact N-O 3.31Å; V18-D411 HydrophobicContact CG2-CB 3.57Å
19F90.5Very high82.4Confident26 Ų2669.6 Ų69.611%0.11438%0.379CS..EExtended strand (participates in β ladder)trans-153.4154.9-171.9-178.9-107.7000112.8L17 I21 K59 F60 K408 V409L17-F19 WeakPolarHBondContact CD1-O 3.38Å; F19-I21 HydrophobicContact CD1-CG1 4.09Å; F19-I21 HydrophobicContact CE1-CB 4.42Å; F19-I21 HydrophobicContact CE1-CD1 3.92Å; F19-I21 HydrophobicContact CE1-CG1 3.18Å; F19-I21 HydrophobicContact CZ-CG1 3.79Å; F19-K59 HydrophobicContact CE2-CB 4.02Å; F19-K59 HydrophobicContact CE2-CG 4.28Å; F19-F60 HydrophobicContact CB-CD2 4.43Å; F19-F60 HydrophobicContact CB-CE2 4.37Å; F19-F60 HydrophobicContact CD1-CB 4.28Å; F19-F60 AromaticContact CD1-CD2 3.19Å; F19-F60 HydrophobicContact CD1-CD2 3.19Å; F19-F60 AromaticContact CD1-CE2 3.73Å; F19-F60 HydrophobicContact CD1-CE2 3.73Å; F19-F60 AromaticContact CD1-CG 3.95Å; F19-F60 HydrophobicContact CD1-CG 3.95Å; F19-F60 HydrophobicContact CD2-CD2 4.17Å; F19-F60 HydrophobicContact CE1-CB 3.4Å; F19-F60 AromaticContact CE1-CD2 3.24Å; F19-F60 HydrophobicContact CE1-CD2 3.24Å; F19-F60 HydrophobicContact CE1-CE2 4.21Å; F19-F60 AromaticContact CE1-CG 3.56Å; F19-F60 HydrophobicContact CE1-CG 3.56Å; F19-F60 HydrophobicContact CE2-CD2 4.27Å; F19-F60 AromaticContact CG-CD2 3.67Å; F19-F60 HydrophobicContact CG-CD2 3.67Å; F19-F60 HydrophobicContact CG-CE2 4.07Å; F19-F60 HydrophobicContact CZ-CB 3.58Å; F19-F60 AromaticContact CZ-CD2 3.84Å; F19-F60 HydrophobicContact CZ-CD2 3.84Å; F19-F60 HydrophobicContact CZ-CG 4.13Å; F19-K408 WeakPolarHBondContact O-CA 3.5Å; F19-V409 HydrophobicContact CB-CB 4.17Å; F19-V409 HydrophobicContact CB-CG2 4.49Å; F19-V409 HydrophobicContact CD1-CG2 4.23Å; F19-V409 PolarHBondContact N-O 3.38Å; F19-V409 VanDerWaalsContact N-O 3.17Å; F19-V409 PolarHBondContact O-N 3.03Å
20K93.2Very high85.4Confident85 Ų8565.4 Ų65.437%0.3735%0.35SS..EExtended strand (participates in β ladder)trans-141.5124.4-178.3-175.4-168.7178.6-146.50109.5D22 I406 I407 K408K20-D22 WeakPolarHBondContact CE-OD2 3.27Å; K20-D22 IonicContact NZ-OD2 2.8Å; K20-D22 PolarHBondContact NZ-OD2 3.26Å; K20-I406 HydrophobicContact CD-CG2 4.25Å; K20-I406 HydrophobicContact CG-CG2 3.71Å; K20-I407 CarbonylContact C-O 3.5Å; K20-I407 WeakPolarHBondContact CA-O 3.19Å; K20-K408 HydrophobicContact CG-CG 4.34Å
21I92.6Very high88.1Confident10 Ų1056.5 Ų56.55%0.05132%0.316CS..EExtended strand (participates in β ladder)trans-98.2118.4166.1-51.4174.9000107.2F19 L24 W52 I406 I407F19-I21 HydrophobicContact CD1-CG1 4.09Å; F19-I21 HydrophobicContact CE1-CB 4.42Å; F19-I21 HydrophobicContact CE1-CD1 3.92Å; F19-I21 HydrophobicContact CE1-CG1 3.18Å; F19-I21 HydrophobicContact CZ-CG1 3.79Å; I21-L24 HydrophobicContact CG2-CD1 4.28Å; I21-L24 HydrophobicContact CG2-CD2 4.15Å; I21-L24 HydrophobicContact CG2-CG 4.25Å; I21-W52 HydrophobicContact CD1-CD2 3.96Å; I21-W52 HydrophobicContact CD1-CE3 4.14Å; I21-W52 HydrophobicContact CD1-CG 4.19Å; I21-W52 HydrophobicContact CG2-CH2 3.89Å; I21-W52 HydrophobicContact CG2-CZ2 4.32Å; I21-W52 HydrophobicContact CG2-CZ3 4.01Å; I21-I406 WeakPolarHBondContact O-CA 3.49Å; I21-I407 HydrophobicContact CB-CB 4.08Å; I21-I407 HydrophobicContact CD1-CB 4.37Å; I21-I407 HydrophobicContact CD1-CD1 4.21Å; I21-I407 HydrophobicContact CG1-CB 4.42Å; I21-I407 PolarHBondContact N-O 3.34Å; I21-I407 PolarHBondContact O-N 3.34Å
22D89.1Confident90.4Very high90 Ų9048.2 Ų48.248%0.48128%0.277SS..  trans-129.4179.1171.657.121.9000111K20 L24 I406K20-D22 WeakPolarHBondContact CE-OD2 3.27Å; K20-D22 IonicContact NZ-OD2 2.8Å; K20-D22 PolarHBondContact NZ-OD2 3.26Å; D22-L24 VanDerWaalsContact C-N 3.32Å; D22-L24 PolarHBondContact O-N 3.02Å; D22-I406 HydrophobicContact CB-CG1 4.1Å
23G83.4Confident91.7Very high81 Ų8144.7 Ų44.784%0.83526%0.259SS*.  trans78.213.1-176.400000114.8
24L86.9Confident92.5Very high13 Ų1343.6 Ų43.67%0.06825%0.25CS..  trans-69.7133.6173.2-58.6177000110.3I21 D22 V28 W52 R405 I407I21-L24 HydrophobicContact CG2-CD1 4.28Å; I21-L24 HydrophobicContact CG2-CD2 4.15Å; I21-L24 HydrophobicContact CG2-CG 4.25Å; D22-L24 VanDerWaalsContact C-N 3.32Å; D22-L24 PolarHBondContact O-N 3.02Å; L24-V28 HydrophobicContact CD1-CG2 3.42Å; L24-V28 VanDerWaalsContact CD1-CG2 3.42Å; L24-W52 HydrophobicContact CD2-CH2 3.83Å; L24-W52 HydrophobicContact CD2-CZ2 3.92Å; L24-R405 HydrophobicContact CB-CB 4.32Å; L24-I407 HydrophobicContact CD1-CD1 4.11Å; L24-I407 HydrophobicContact CD1-CG1 4.25Å
25S86.3Confident92.6Very high73 Ų7340.2 Ų40.251%0.5124%0.241SC..SBendtrans-69.3-40.4-176.848.30000112.3R405S25-R405 PolarHBondContact O-NH1 3.2Å
26C92.1Very high92.3Very high45 Ų4542.7 Ų42.730%0.30427%0.268SS..SBendtrans-124.9172.7-176.9-58.90000112.2E45 D46C26-E45 HydrophobicContact CB-CB 4.05Å; C26-D46 HydrophobicContact CB-CB 3.92Å
27G93.5Very high91.9Very high15 Ų1539 Ų3916%0.15525%0.248CC..  trans-61.9144175.900000112.6S44 E45G27-S44 CarbonylContact O-C 3.21Å; G27-S44 WeakPolarHBondContact O-CA 3.48Å; G27-S44 WeakPolarHBondContact O-CB 3.09Å; G27-E45 WeakPolarHBondContact CA-OE2 3.46Å; G27-E45 PolarHBondContact N-OE2 3.35Å; G27-E45 VanDerWaalsContact N-OE2 3.16Å; G27-E45 PolarHBondContact O-N 3.17Å
28V96.7Very high91.6Very high7 Ų738.1 Ų38.14%0.04224%0.243CC..EExtended strand (participates in β ladder)trans-96119.4168.6177.50000106.6L24 D30 A31 V401 I407L24-V28 HydrophobicContact CD1-CG2 3.42Å; L24-V28 VanDerWaalsContact CD1-CG2 3.42Å; V28-D30 WeakPolarHBondContact CG1-O 3.37Å; V28-A31 HydrophobicContact CG1-CB 4.3Å; V28-V401 HydrophobicContact CB-CG1 3.65Å; V28-V401 HydrophobicContact CG1-CG1 3.85Å; V28-V401 HydrophobicContact CG1-CG2 4.2Å; V28-V401 WeakPolarHBondContact O-CG1 3.35Å; V28-I407 HydrophobicContact CG1-CD1 4.19Å; V28-I407 HydrophobicContact CG2-CD1 4.04Å; V28-I407 HydrophobicContact CG2-CG1 4.31Å
29N97.1Very high91.8Very high36 Ų3635.7 Ų35.719%0.19323%0.229CC..EExtended strand (participates in β ladder)trans-82.5-37.6-178.8-74.8-46.2000111.3G43 E45 V72N29-G43 PolarHBondContact N-O 2.85Å; N29-E45 WeakPolarHBondContact ND2-CG 3.13Å; N29-V72 VanDerWaalsContact CB-O 3.22Å; N29-V72 WeakPolarHBondContact CB-O 3.28Å; N29-V72 PolarHBondContact ND2-O 3.17Å
30D97.3Very high92Very high7 Ų734.5 Ų34.54%0.03722%0.224CC..EExtended strand (participates in β ladder)trans-149.5152.5178.1-161.212.8000111.2V28 G43 C74 I75 C388 R390V28-D30 WeakPolarHBondContact CG1-O 3.37Å; D30-G43 PolarHBondContact N-O 2.8Å; D30-G43 PolarHBondContact O-N 3.49Å; D30-C74 WeakPolarHBondContact OD2-CA 3.47Å; D30-I75 HydrophobicContact CB-CG1 4.47Å; D30-I75 PolarHBondContact OD2-N 3.1Å; D30-C388 PolarHBondContact OD1-SG 2.94Å; D30-R390 IonicContact OD1-CZ 3.93Å; D30-R390 IonicContact OD1-NE 2.68Å; D30-R390 IonicContact OD1-NH2 2.76Å; D30-R390 PolarHBondContact OD1-NH2 3.22Å; D30-R390 IonicContact OD2-NH2 3.32Å; D30-R390 PolarHBondContact OD2-NH2 3.25Å
31A97.4Very high92.2Very high0 Ų030.5 Ų30.50%021%0.206CC..EExtended strand (participates in β ladder)trans-150.9140.3174.300000110.1V28 I40 V41 T42 R390 L399 V401V28-A31 HydrophobicContact CG1-CB 4.3Å; A31-I40 HydrophobicContact CB-CG2 4.32Å; A31-V41 CarbonylContact C-O 3.52Å; A31-V41 WeakPolarHBondContact CA-O 3.23Å; A31-T42 HydrophobicContact CB-CG2 3.94Å; A31-R390 WeakPolarHBondContact O-CG 3.26Å; A31-L399 HydrophobicContact CB-CD2 3.65Å; A31-L399 HydrophobicContact CB-CG 4.49Å; A31-V401 HydrophobicContact CB-CG2 3.6Å
32I97.3Very high92.5Very high15 Ų1530 Ų308%0.07720%0.204CC..EExtended strand (participates in β ladder)trans-134.4153.9-178.962.6169.3000110.8I40 V41 I75 L84 R390I32-I40 CarbonylContact O-C 3.52Å; I32-I40 VanDerWaalsContact O-CA 3.26Å; I32-I40 WeakPolarHBondContact O-CA 3.41Å; I32-I40 WeakPolarHBondContact O-CG2 3.32Å; I32-V41 HydrophobicContact CG1-CB 4Å; I32-V41 HydrophobicContact CG1-CG2 4.44Å; I32-V41 PolarHBondContact N-O 2.84Å; I32-V41 PolarHBondContact O-N 2.86Å; I32-I75 HydrophobicContact CD1-CB 4.26Å; I32-I75 HydrophobicContact CD1-CG2 3.63Å; I32-I75 HydrophobicContact CG1-CB 4.45Å; I32-I75 HydrophobicContact CG1-CG2 4.09Å; I32-L84 HydrophobicContact CD1-CD1 4.45Å; I32-R390 HydrophobicContact CG2-CG 4.16Å
33F96.1Very high92.9Very high11 Ų1125.8 Ų25.85%0.04818%0.181CC..EExtended strand (participates in β ladder)trans-76.2154.1165.1-69.3-74.3000110.7I40 E392 L397 L399 V409F33-I40 HydrophobicContact CD1-CD1 4.43Å; F33-I40 HydrophobicContact CD1-CG1 3.7Å; F33-I40 HydrophobicContact CE1-CD1 4.06Å; F33-I40 HydrophobicContact CE1-CG1 3.83Å; F33-E392 HydrophobicContact CB-CB 3.95Å; F33-E392 HydrophobicContact CB-CG 4.43Å; F33-E392 HydrophobicContact CD1-CB 4.23Å; F33-E392 HydrophobicContact CD2-CB 3.48Å; F33-E392 VanDerWaalsContact CD2-CB 3.48Å; F33-E392 HydrophobicContact CE2-CB 3.9Å; F33-E392 HydrophobicContact CG-CB 3.65Å; F33-E392 HydrophobicContact CG-CG 4.48Å; F33-E392 HydrophobicContact CZ-CB 4.46Å; F33-L397 HydrophobicContact CE1-CB 4.25Å; F33-L397 HydrophobicContact CE1-CD1 4.34Å; F33-L397 HydrophobicContact CE2-CB 4.23Å; F33-L397 HydrophobicContact CZ-CB 3.7Å; F33-L399 HydrophobicContact CD2-CB 4.17Å; F33-L399 HydrophobicContact CE2-CB 3.45Å; F33-L399 VanDerWaalsContact CE2-CB 3.45Å; F33-L399 HydrophobicContact CZ-CB 3.67Å; F33-V409 HydrophobicContact CE1-CG1 4.27Å; F33-V409 HydrophobicContact CZ-CG1 4.11Å
34I94.8Very high93.5Very high1 Ų122 Ų221%0.00514%0.142CC..  trans-92.6114.7162-59-178.6000106.8G36 R37 S39 V41 I51 Y77 L102I34-G36 PolarHBondContact O-N 3.23Å; I34-R37 HydrophobicContact CB-CB 4.31Å; I34-R37 HydrophobicContact CG2-CB 4.19Å; I34-R37 HydrophobicContact CG2-CG 4.14Å; I34-R37 PolarHBondContact O-N 3.06Å; I34-R37 VanDerWaalsContact O-O 3.09Å; I34-S39 PolarHBondContact N-O 2.88Å; I34-V41 HydrophobicContact CD1-CG2 3.74Å; I34-V41 HydrophobicContact CG1-CG2 3.69Å; I34-I51 HydrophobicContact CD1-CG2 4.05Å; I34-Y77 HydrophobicContact CG2-CD1 4.21Å; I34-Y77 HydrophobicContact CG2-CE1 3.64Å; I34-L102 HydrophobicContact CD1-CD1 3.98Å; I34-L102 HydrophobicContact CD1-CD2 3.59Å; I34-L102 HydrophobicContact CD1-CG 4.43Å
35P90.5Very high94Very high57 Ų5726.4 Ų26.437%0.3716%0.162SC..THydrogen-bonded Turntrans-55.8137-171-29.136.1000114.3R37 A79 E392P35-R37 PolarHBondContact O-N 2.99Å; P35-R37 VanDerWaalsContact O-N 3.14Å; P35-A79 HydrophobicContact CB-CB 4.24Å; P35-A79 HydrophobicContact CG-CB 4.25Å; P35-E392 WeakPolarHBondContact CA-OE2 3.19Å
36G84.6Confident94.4Very high58 Ų5824.6 Ų24.660%0.59815%0.147SC*.THydrogen-bonded Turntrans66.35.6-178.700000115.2I34 E392I34-G36 PolarHBondContact O-N 3.23Å; G36-E392 PolarHBondContact N-OE1 3.49Å; G36-E392 VanDerWaalsContact N-OE1 3.15Å
37R84.9Confident94.7Very high62 Ų6227.7 Ų27.723%0.23415%0.152CC..SBendtrans-120.4143.3177.5-55.9-170.8-176.5-169.8-7.7109.3I34 P35 S39 E100 L102I34-R37 HydrophobicContact CB-CB 4.31Å; I34-R37 HydrophobicContact CG2-CB 4.19Å; I34-R37 HydrophobicContact CG2-CG 4.14Å; I34-R37 PolarHBondContact O-N 3.06Å; I34-R37 VanDerWaalsContact O-O 3.09Å; P35-R37 PolarHBondContact O-N 2.99Å; P35-R37 VanDerWaalsContact O-N 3.14Å; R37-S39 PolarHBondContact O-N 3.01Å; R37-E100 PolarHBondContact NH1-O 3.09Å; R37-E100 PolarHBondContact NH2-O 3.28Å; R37-L102 HydrophobicContact CB-CD1 4.39Å
38D88.9Confident94.9Very high54 Ų5427.7 Ų27.729%0.28915%0.149SC..SBendtrans-8064.5175.9-152.1-13.1000109.3R54 F60D38-R54 HydrophobicContact CB-CB 4.04Å; D38-R54 WeakPolarHBondContact O-CB 3.4Å; D38-R54 PolarHBondContact O-N 3.27Å; D38-R54 WeakPolarHBondContact OD1-CD 3.49Å; D38-R54 IonicContact OD1-NH1 2.82Å; D38-R54 WeakPolarHBondContact OD2-CD 3.5Å; D38-R54 IonicContact OD2-CZ 2.98Å; D38-R54 IonicContact OD2-NE 3.27Å; D38-R54 IonicContact OD2-NH1 3.74Å; D38-R54 PolarHBondContact OD2-NH1 2.9Å; D38-F60 WeakPolarHBondContact O-CE1 3.31Å; D38-F60 VanDerWaalsContact OD1-CZ 3.24Å; D38-F60 WeakPolarHBondContact OD1-CZ 3.19Å
39S93.9Very high95Very high4 Ų427.4 Ų27.43%0.02815%0.147CC..EExtended strand (participates in β ladder)trans-150.9147.6-167.2-60.60000112.4I34 R37 W52 L102I34-S39 PolarHBondContact N-O 2.88Å; R37-S39 PolarHBondContact O-N 3.01Å; S39-W52 CarbonylContact C-O 3.58Å; S39-W52 WeakPolarHBondContact CA-O 3.16Å; S39-W52 WeakPolarHBondContact CB-O 3.39Å; S39-L102 WeakPolarHBondContact OG-CD1 3.3Å
40I95.9Very high95Very high0 Ų027.4 Ų27.40%015%0.145CC..EExtended strand (participates in β ladder)trans-131141.6-175.5-62.7161.5000108.6A31 I32 F33 T42 W52 F60 L399 V409A31-I40 HydrophobicContact CB-CG2 4.32Å; I32-I40 CarbonylContact O-C 3.52Å; I32-I40 VanDerWaalsContact O-CA 3.26Å; I32-I40 WeakPolarHBondContact O-CA 3.41Å; I32-I40 WeakPolarHBondContact O-CG2 3.32Å; F33-I40 HydrophobicContact CD1-CD1 4.43Å; F33-I40 HydrophobicContact CD1-CG1 3.7Å; F33-I40 HydrophobicContact CE1-CD1 4.06Å; F33-I40 HydrophobicContact CE1-CG1 3.83Å; I40-T42 HydrophobicContact CG2-CG2 3.94Å; I40-W52 PolarHBondContact N-O 2.81Å; I40-W52 PolarHBondContact O-N 3.09Å; I40-F60 HydrophobicContact CD1-CD1 4.09Å; I40-F60 HydrophobicContact CD1-CE1 3.67Å; I40-F60 HydrophobicContact CD1-CZ 3.97Å; I40-F60 HydrophobicContact CG1-CD1 4.42Å; I40-F60 HydrophobicContact CG1-CE1 3.86Å; I40-F60 HydrophobicContact CG1-CZ 4.46Å; I40-L399 HydrophobicContact CD1-CD1 3.8Å; I40-L399 HydrophobicContact CG1-CD1 4.47Å; I40-L399 HydrophobicContact CG2-CD1 4.42Å; I40-L399 HydrophobicContact CG2-CD2 3.9Å; I40-V409 HydrophobicContact CD1-CG2 3.54Å
41V97.7Very high95Very high1 Ų127.1 Ų27.11%0.00614%0.143CC..EExtended strand (participates in β ladder)trans-105.7135.2167-169.20000108.7A31 I32 I34 L49 R50 I51 I75 L84A31-V41 CarbonylContact C-O 3.52Å; A31-V41 WeakPolarHBondContact CA-O 3.23Å; I32-V41 HydrophobicContact CG1-CB 4Å; I32-V41 HydrophobicContact CG1-CG2 4.44Å; I32-V41 PolarHBondContact N-O 2.84Å; I32-V41 PolarHBondContact O-N 2.86Å; I34-V41 HydrophobicContact CD1-CG2 3.74Å; I34-V41 HydrophobicContact CG1-CG2 3.69Å; V41-L49 HydrophobicContact CG1-CD1 3.71Å; V41-L49 HydrophobicContact CG1-CG 4.31Å; V41-R50 CarbonylContact C-O 3.6Å; V41-R50 VanDerWaalsContact CA-O 3.31Å; V41-R50 WeakPolarHBondContact CA-O 3.16Å; V41-I51 HydrophobicContact CG1-CG1 4.43Å; V41-I51 HydrophobicContact CG2-CG1 4.21Å; V41-I75 HydrophobicContact CG1-CD1 4.03Å; V41-I75 HydrophobicContact CG1-CG2 4.31Å; V41-L84 HydrophobicContact CG1-CD1 4.31Å; V41-L84 HydrophobicContact CG1-CD2 4.12Å; V41-L84 HydrophobicContact CG2-CD1 4.47Å
42T97.5Very high94.9Very high1 Ų127.9 Ų27.91%0.00615%0.146CC..EExtended strand (participates in β ladder)trans-126.7141178.265.80000111.2A31 I40 L49 R50 W52 I407A31-T42 HydrophobicContact CB-CG2 3.94Å; I40-T42 HydrophobicContact CG2-CG2 3.94Å; T42-L49 WeakPolarHBondContact O-CA 3.39Å; T42-R50 PolarHBondContact N-O 2.81Å; T42-R50 PolarHBondContact O-N 3.18Å; T42-W52 PolarHBondContact OG1-NE1 3.11Å; T42-I407 HydrophobicContact CG2-CD1 3.37Å
43G97.4Very high94.7Very high0 Ų028.5 Ų28.50%015%0.15CC..EExtended strand (participates in β ladder)trans-121.1127.5175.900000110.7N29 D30 V72 I75N29-G43 PolarHBondContact N-O 2.85Å; D30-G43 PolarHBondContact N-O 2.8Å; D30-G43 PolarHBondContact O-N 3.49Å; G43-V72 VanDerWaalsContact CA-CG1 3.49Å; G43-I75 VanDerWaalsContact N-CD1 3.35Å
44S96.9Very high94.4Very high2 Ų231.8 Ų31.81%0.01416%0.163CC..EExtended strand (participates in β ladder)trans-123.8161.2-166.5-59.60000113.6G27 D46 R47 T48 V72G27-S44 CarbonylContact O-C 3.21Å; G27-S44 WeakPolarHBondContact O-CA 3.48Å; G27-S44 WeakPolarHBondContact O-CB 3.09Å; S44-D46 WeakPolarHBondContact CB-OD1 3.5Å; S44-D46 PolarHBondContact O-N 3.47Å; S44-R47 PolarHBondContact O-N 3.22Å; S44-T48 PolarHBondContact N-O 2.83Å; S44-T48 VanDerWaalsContact N-O 3.08Å; S44-V72 PolarHBondContact O-N 3.11Å
45E97Very high94.1Very high106 Ų10637.5 Ų37.550%0.49518%0.184SC..THydrogen-bonded Turntrans-65.1-23.8175-68.9178.4156.800113.1C26 G27 N29 R47C26-E45 HydrophobicContact CB-CB 4.05Å; G27-E45 WeakPolarHBondContact CA-OE2 3.46Å; G27-E45 PolarHBondContact N-OE2 3.35Å; G27-E45 VanDerWaalsContact N-OE2 3.16Å; G27-E45 PolarHBondContact O-N 3.17Å; N29-E45 WeakPolarHBondContact ND2-CG 3.13Å; E45-R47 PolarHBondContact O-N 3.09Å; E45-R47 VanDerWaalsContact O-N 3.13Å
46D96Very high93.9Very high34 Ų3443.3 Ų43.318%0.18221%0.212CC..THydrogen-bonded Turntrans-74.57.5174.768.5-1.4000113.4C26 S44 T48 R50C26-D46 HydrophobicContact CB-CB 3.92Å; S44-D46 WeakPolarHBondContact CB-OD1 3.5Å; S44-D46 PolarHBondContact O-N 3.47Å; D46-T48 VanDerWaalsContact CG-OG1 3.23Å; D46-T48 PolarHBondContact O-N 2.8Å; D46-T48 VanDerWaalsContact OD1-CB 3.28Å; D46-T48 WeakPolarHBondContact OD1-CB 3.48Å; D46-T48 WeakPolarHBondContact OD1-CG2 3.36Å; D46-T48 PolarHBondContact OD1-N 3.2Å; D46-T48 PolarHBondContact OD1-OG1 3.39Å; D46-T48 PolarHBondContact OD2-OG1 2.93Å; D46-R50 IonicContact OD2-CZ 3.76Å; D46-R50 IonicContact OD2-NH2 2.86Å; D46-R50 PolarHBondContact OD2-NH2 3.43Å
47R97.9Very high93.9Very high110 Ų11045.5 Ų45.542%0.41521%0.214SC..SBendtrans67.816.2-176.9-42.8177.7-72.6176.4-1.2113.7S44 E45 L67 L68 P71S44-R47 PolarHBondContact O-N 3.22Å; E45-R47 PolarHBondContact O-N 3.09Å; E45-R47 VanDerWaalsContact O-N 3.13Å; R47-L67 HydrophobicContact CB-CD1 4.14Å; R47-L68 WeakPolarHBondContact CB-O 3.21Å; R47-L68 WeakPolarHBondContact O-CB 2.96Å; R47-L68 PolarHBondContact O-N 2.92Å; R47-P71 HydrophobicContact CG-CG 4.11Å
48T97.1Very high93.7Very high15 Ų1543.7 Ų43.79%0.09221%0.214CC..EExtended strand (participates in β ladder)trans-93.3135.5175.4680000111.6S44 D46 R50 I65 E66 L67S44-T48 PolarHBondContact N-O 2.83Å; S44-T48 VanDerWaalsContact N-O 3.08Å; D46-T48 VanDerWaalsContact CG-OG1 3.23Å; D46-T48 PolarHBondContact O-N 2.8Å; D46-T48 VanDerWaalsContact OD1-CB 3.28Å; D46-T48 WeakPolarHBondContact OD1-CB 3.48Å; D46-T48 WeakPolarHBondContact OD1-CG2 3.36Å; D46-T48 PolarHBondContact OD1-N 3.2Å; D46-T48 PolarHBondContact OD1-OG1 3.39Å; D46-T48 PolarHBondContact OD2-OG1 2.93Å; T48-R50 PolarHBondContact OG1-NE 2.9Å; T48-R50 PolarHBondContact OG1-NH2 2.82Å; T48-I65 HydrophobicContact CG2-CG2 4.31Å; T48-E66 WeakPolarHBondContact CA-O 3.16Å; T48-L67 HydrophobicContact CG2-CD1 4.42Å
49L97.9Very high93.5Very high1 Ų147 Ų471%0.00523%0.226CC..EExtended strand (participates in β ladder)trans-103.5128.9162.7-179.977.2000107.5V41 T42 E66 L68 I75 L84 V86 Y96 I105V41-L49 HydrophobicContact CG1-CD1 3.71Å; V41-L49 HydrophobicContact CG1-CG 4.31Å; T42-L49 WeakPolarHBondContact O-CA 3.39Å; L49-E66 HydrophobicContact CB-CB 4.36Å; L49-E66 PolarHBondContact N-O 3.04Å; L49-E66 PolarHBondContact O-N 3.11Å; L49-L68 HydrophobicContact CB-CD1 3.76Å; L49-I75 HydrophobicContact CD1-CD1 3.7Å; L49-I75 HydrophobicContact CD1-CG1 4.39Å; L49-L84 HydrophobicContact CD1-CD2 4.48Å; L49-L84 HydrophobicContact CD2-CD2 3.81Å; L49-V86 HydrophobicContact CD1-CG1 4.19Å; L49-V86 HydrophobicContact CD1-CG2 3.88Å; L49-V86 HydrophobicContact CD2-CG2 3.77Å; L49-V86 HydrophobicContact CG-CG2 4.46Å; L49-Y96 HydrophobicContact CD2-CD2 4.3Å; L49-Y96 HydrophobicContact CD2-CE2 4.14Å; L49-I105 HydrophobicContact CD2-CD1 3.83Å
50R97.3Very high93.2Very high36 Ų3647.3 Ų47.314%0.13623%0.227CC..EExtended strand (participates in β ladder)trans-131.4135.3-175.6-51.9177.3-169.6-172.93.6110.9V41 T42 D46 T48 W52 V64 I65V41-R50 CarbonylContact C-O 3.6Å; V41-R50 VanDerWaalsContact CA-O 3.31Å; V41-R50 WeakPolarHBondContact CA-O 3.16Å; T42-R50 PolarHBondContact N-O 2.81Å; T42-R50 PolarHBondContact O-N 3.18Å; D46-R50 IonicContact OD2-CZ 3.76Å; D46-R50 IonicContact OD2-NH2 2.86Å; D46-R50 PolarHBondContact OD2-NH2 3.43Å; T48-R50 PolarHBondContact OG1-NE 2.9Å; T48-R50 PolarHBondContact OG1-NH2 2.82Å; R50-W52 HydrophobicContact CB-CZ2 4.22Å; R50-V64 VanDerWaalsContact CA-O 3.25Å; R50-V64 WeakPolarHBondContact CA-O 3.4Å; R50-I65 HydrophobicContact CG-CG1 4.29Å; R50-I65 HydrophobicContact CG-CG2 4.35Å
51I97.3Very high92.9Very high1 Ų154.1 Ų54.11%0.00525%0.253CS..EExtended strand (participates in β ladder)trans-101.8126.9167.5-56.5-174.1000107.6I34 V41 V53 P62 T63 V64 V98 L102 I105I34-I51 HydrophobicContact CD1-CG2 4.05Å; V41-I51 HydrophobicContact CG1-CG1 4.43Å; V41-I51 HydrophobicContact CG2-CG1 4.21Å; I51-V53 HydrophobicContact CG2-CG2 4.4Å; I51-P62 CarbonylContact O-C 3.53Å; I51-P62 VanDerWaalsContact O-CA 3.29Å; I51-P62 WeakPolarHBondContact O-CA 3.3Å; I51-T63 PolarHBondContact O-N 2.79Å; I51-T63 PolarHBondContact O-OG1 3.06Å; I51-V64 HydrophobicContact CB-CB 4.01Å; I51-V64 HydrophobicContact CB-CG2 4.32Å; I51-V64 HydrophobicContact CD1-CB 4.4Å; I51-V64 HydrophobicContact CD1-CG2 4.32Å; I51-V64 HydrophobicContact CG1-CB 4.12Å; I51-V64 HydrophobicContact CG1-CG2 4.49Å; I51-V64 PolarHBondContact N-O 3.49Å; I51-V64 VanDerWaalsContact N-O 3.12Å; I51-V64 PolarHBondContact O-N 3.16Å; I51-V98 HydrophobicContact CD1-CG1 3.94Å; I51-L102 HydrophobicContact CG2-CB 4.23Å; I51-I105 HydrophobicContact CD1-CG2 3.5Å; I51-I105 VanDerWaalsContact CD1-CG2 3.5Å
52W95.4Very high92.7Very high16 Ų1656.2 Ų56.26%0.06127%0.267CS..EExtended strand (participates in β ladder)trans-112.9127.7-180-51.981.6000108.7I21 L24 S39 I40 T42 R50 F60 W61 P62I21-W52 HydrophobicContact CD1-CD2 3.96Å; I21-W52 HydrophobicContact CD1-CE3 4.14Å; I21-W52 HydrophobicContact CD1-CG 4.19Å; I21-W52 HydrophobicContact CG2-CH2 3.89Å; I21-W52 HydrophobicContact CG2-CZ2 4.32Å; I21-W52 HydrophobicContact CG2-CZ3 4.01Å; L24-W52 HydrophobicContact CD2-CH2 3.83Å; L24-W52 HydrophobicContact CD2-CZ2 3.92Å; S39-W52 CarbonylContact C-O 3.58Å; S39-W52 WeakPolarHBondContact CA-O 3.16Å; S39-W52 WeakPolarHBondContact CB-O 3.39Å; I40-W52 PolarHBondContact N-O 2.81Å; I40-W52 PolarHBondContact O-N 3.09Å; T42-W52 PolarHBondContact OG1-NE1 3.11Å; R50-W52 HydrophobicContact CB-CZ2 4.22Å; W52-F60 HydrophobicContact CB-CB 4.11Å; W52-F60 HydrophobicContact CB-CD1 3.99Å; W52-W61 WeakPolarHBondContact CA-O 3.39Å; W52-P62 HydrophobicContact CD2-CB 4.2Å; W52-P62 HydrophobicContact CE3-CB 3.86Å; W52-P62 HydrophobicContact CE3-CG 4.11Å; W52-P62 HydrophobicContact CH2-CB 4.36Å; W52-P62 HydrophobicContact CH2-CG 4.38Å; W52-P62 HydrophobicContact CZ3-CB 3.94Å; W52-P62 HydrophobicContact CZ3-CG 3.82Å
53V93.6Very high92.5Very high28 Ų2857.7 Ų57.717%0.1728%0.275CS..EExtended strand (participates in β ladder)trans-116.3131.7178.1-179.20000109I51 R55 F60 W61 T63 L102I51-V53 HydrophobicContact CG2-CG2 4.4Å; V53-R55 PolarHBondContact O-N 3.38Å; V53-F60 WeakPolarHBondContact O-CA 3.26Å; V53-W61 PolarHBondContact N-O 3.27Å; V53-W61 PolarHBondContact O-N 3.46Å; V53-T63 HydrophobicContact CB-CG2 3.95Å; V53-T63 HydrophobicContact CG2-CG2 3.69Å; V53-L102 HydrophobicContact CG2-CB 3.88Å; V53-L102 HydrophobicContact CG2-CD1 4.05Å
54R90.7Very high92.4Very high81 Ų8158.3 Ų58.331%0.30628%0.279SS..EExtended strand (participates in β ladder)trans-70.2127.9174-159.2-174.6-171.9-175.6-2.4110.3V18 D38 G58 F60V18-R54 VanDerWaalsContact CG1-NH2 3.34Å; D38-R54 HydrophobicContact CB-CB 4.04Å; D38-R54 WeakPolarHBondContact O-CB 3.4Å; D38-R54 PolarHBondContact O-N 3.27Å; D38-R54 WeakPolarHBondContact OD1-CD 3.49Å; D38-R54 IonicContact OD1-NH1 2.82Å; D38-R54 WeakPolarHBondContact OD2-CD 3.5Å; D38-R54 IonicContact OD2-CZ 2.98Å; D38-R54 IonicContact OD2-NE 3.27Å; D38-R54 IonicContact OD2-NH1 3.74Å; D38-R54 PolarHBondContact OD2-NH1 2.9Å; R54-G58 WeakPolarHBondContact CG-O 3.43Å; R54-G58 PolarHBondContact NE-O 2.95Å; R54-G58 VanDerWaalsContact NE-O 3.08Å; R54-F60 HydrophobicContact CB-CD1 4.17Å; R54-F60 HydrophobicContact CB-CD2 3.9Å; R54-F60 HydrophobicContact CB-CE1 4Å; R54-F60 HydrophobicContact CB-CE2 3.73Å; R54-F60 HydrophobicContact CB-CG 4.13Å; R54-F60 HydrophobicContact CB-CZ 3.78Å; R54-F60 HydrophobicContact CG-CD2 3.77Å; R54-F60 HydrophobicContact CG-CE2 3.64Å; R54-F60 HydrophobicContact CG-CG 4.43Å; R54-F60 HydrophobicContact CG-CZ 4.19Å
55R88.3Confident92.4Very high120 Ų12063.1 Ų63.145%0.45330%0.304SS..  trans-95.2169.2175.9-56.8-61.5-177.2148.4-1.2110.4V53 T57 G58 K59 W61 T63V53-R55 PolarHBondContact O-N 3.38Å; R55-T57 PolarHBondContact O-N 2.74Å; R55-G58 WeakPolarHBondContact O-CA 3.42Å; R55-G58 PolarHBondContact O-N 3.08Å; R55-K59 PolarHBondContact N-O 3.24Å; R55-W61 HydrophobicContact CG-CB 4.28Å; R55-W61 HydrophobicContact CG-CG 4.22Å; R55-T63 VanDerWaalsContact NH2-CG2 3.31Å
56D85.9Confident92.4Very high180 Ų18061.3 Ų61.396%0.96330%0.295SS*.THydrogen-bonded Turntrans-55.8-25.6178.5-54.4-25.7000113.7G58D56-G58 PolarHBondContact O-N 2.89Å; D56-G58 VanDerWaalsContact O-N 3.11Å
57T83.9Confident92.5Very high104 Ų10465 Ų6564%0.63831%0.314SS*.THydrogen-bonded Turntrans-66.5-4.5172.364.20000114R55 K59R55-T57 PolarHBondContact O-N 2.74Å; T57-K59 PolarHBondContact O-N 3.19Å; T57-K59 PolarHBondContact OG1-N 2.91Å
58G82.1Confident92.5Very high23 Ų2360 Ų6024%0.23730%0.296CS..SBendtrans78.6-8.1-172.900000114.1R54 R55 D56R54-G58 WeakPolarHBondContact CG-O 3.43Å; R54-G58 PolarHBondContact NE-O 2.95Å; R54-G58 VanDerWaalsContact NE-O 3.08Å; R55-G58 WeakPolarHBondContact O-CA 3.42Å; R55-G58 PolarHBondContact O-N 3.08Å; D56-G58 PolarHBondContact O-N 2.89Å; D56-G58 VanDerWaalsContact O-N 3.11Å
59K84.4Confident92.5Very high124 Ų12463.5 Ų63.554%0.53932%0.319SS..  trans-88.6138.9179.9-62.6-174.6178.5-177.10111.5F19 R55 T57F19-K59 HydrophobicContact CE2-CB 4.02Å; F19-K59 HydrophobicContact CE2-CG 4.28Å; R55-K59 PolarHBondContact N-O 3.24Å; T57-K59 PolarHBondContact O-N 3.19Å; T57-K59 PolarHBondContact OG1-N 2.91Å
60F87.2Confident92.5Very high10 Ų1064.1 Ų64.14%0.04432%0.324CS..EExtended strand (participates in β ladder)trans-79.6140168-69.2-115.3000110.9F19 D38 I40 W52 V53 R54F19-F60 HydrophobicContact CB-CD2 4.43Å; F19-F60 HydrophobicContact CB-CE2 4.37Å; F19-F60 HydrophobicContact CD1-CB 4.28Å; F19-F60 AromaticContact CD1-CD2 3.19Å; F19-F60 HydrophobicContact CD1-CD2 3.19Å; F19-F60 AromaticContact CD1-CE2 3.73Å; F19-F60 HydrophobicContact CD1-CE2 3.73Å; F19-F60 AromaticContact CD1-CG 3.95Å; F19-F60 HydrophobicContact CD1-CG 3.95Å; F19-F60 HydrophobicContact CD2-CD2 4.17Å; F19-F60 HydrophobicContact CE1-CB 3.4Å; F19-F60 AromaticContact CE1-CD2 3.24Å; F19-F60 HydrophobicContact CE1-CD2 3.24Å; F19-F60 HydrophobicContact CE1-CE2 4.21Å; F19-F60 AromaticContact CE1-CG 3.56Å; F19-F60 HydrophobicContact CE1-CG 3.56Å; F19-F60 HydrophobicContact CE2-CD2 4.27Å; F19-F60 AromaticContact CG-CD2 3.67Å; F19-F60 HydrophobicContact CG-CD2 3.67Å; F19-F60 HydrophobicContact CG-CE2 4.07Å; F19-F60 HydrophobicContact CZ-CB 3.58Å; F19-F60 AromaticContact CZ-CD2 3.84Å; F19-F60 HydrophobicContact CZ-CD2 3.84Å; F19-F60 HydrophobicContact CZ-CG 4.13Å; D38-F60 WeakPolarHBondContact O-CE1 3.31Å; D38-F60 VanDerWaalsContact OD1-CZ 3.24Å; D38-F60 WeakPolarHBondContact OD1-CZ 3.19Å; I40-F60 HydrophobicContact CD1-CD1 4.09Å; I40-F60 HydrophobicContact CD1-CE1 3.67Å; I40-F60 HydrophobicContact CD1-CZ 3.97Å; I40-F60 HydrophobicContact CG1-CD1 4.42Å; I40-F60 HydrophobicContact CG1-CE1 3.86Å; I40-F60 HydrophobicContact CG1-CZ 4.46Å; W52-F60 HydrophobicContact CB-CB 4.11Å; W52-F60 HydrophobicContact CB-CD1 3.99Å; V53-F60 WeakPolarHBondContact O-CA 3.26Å; R54-F60 HydrophobicContact CB-CD1 4.17Å; R54-F60 HydrophobicContact CB-CD2 3.9Å; R54-F60 HydrophobicContact CB-CE1 4Å; R54-F60 HydrophobicContact CB-CE2 3.73Å; R54-F60 HydrophobicContact CB-CG 4.13Å; R54-F60 HydrophobicContact CB-CZ 3.78Å; R54-F60 HydrophobicContact CG-CD2 3.77Å; R54-F60 HydrophobicContact CG-CE2 3.64Å; R54-F60 HydrophobicContact CG-CG 4.43Å; R54-F60 HydrophobicContact CG-CZ 4.19Å
61W89.6Confident92.6Very high143 Ų14364.1 Ų64.154%0.54233%0.328SS..EExtended strand (participates in β ladder)trans-129.5140.3177-75.291.6000110.1W52 V53 R55 T63W52-W61 WeakPolarHBondContact CA-O 3.39Å; V53-W61 PolarHBondContact N-O 3.27Å; V53-W61 PolarHBondContact O-N 3.46Å; R55-W61 HydrophobicContact CG-CB 4.28Å; R55-W61 HydrophobicContact CG-CG 4.22Å; W61-T63 PolarHBondContact O-N 2.97Å
62P92.6Very high92.7Very high46 Ų4664.1 Ų64.130%0.29933%0.328SS..EExtended strand (participates in β ladder)trans-71.1119.4178.129.4-29.9000109.2I51 W52 I65I51-P62 CarbonylContact O-C 3.53Å; I51-P62 VanDerWaalsContact O-CA 3.29Å; I51-P62 WeakPolarHBondContact O-CA 3.3Å; W52-P62 HydrophobicContact CD2-CB 4.2Å; W52-P62 HydrophobicContact CE3-CB 3.86Å; W52-P62 HydrophobicContact CE3-CG 4.11Å; W52-P62 HydrophobicContact CH2-CB 4.36Å; W52-P62 HydrophobicContact CH2-CG 4.38Å; W52-P62 HydrophobicContact CZ3-CB 3.94Å; W52-P62 HydrophobicContact CZ3-CG 3.82Å; P62-I65 HydrophobicContact CB-CD1 4.31Å; P62-I65 HydrophobicContact CB-CG1 4.18Å; P62-I65 HydrophobicContact CG-CD1 4.46Å
63T94.5Very high92.8Very high31 Ų3163.9 Ų63.919%0.1933%0.328CS..EExtended strand (participates in β ladder)trans-93.7-30.7174.949.50000111.8I51 V53 R55 W61 L102 N103I51-T63 PolarHBondContact O-N 2.79Å; I51-T63 PolarHBondContact O-OG1 3.06Å; V53-T63 HydrophobicContact CB-CG2 3.95Å; V53-T63 HydrophobicContact CG2-CG2 3.69Å; R55-T63 VanDerWaalsContact NH2-CG2 3.31Å; W61-T63 PolarHBondContact O-N 2.97Å; T63-L102 WeakPolarHBondContact CB-O 3.27Å; T63-L102 PolarHBondContact OG1-O 3.19Å; T63-N103 WeakPolarHBondContact CG2-OD1 3.42Å
64V95.6Very high93Very high13 Ų1362.9 Ų62.98%0.07932%0.323CS..EExtended strand (participates in β ladder)trans-126136.1177.6178.70000108.8R50 I51 N103 I105R50-V64 VanDerWaalsContact CA-O 3.25Å; R50-V64 WeakPolarHBondContact CA-O 3.4Å; I51-V64 HydrophobicContact CB-CB 4.01Å; I51-V64 HydrophobicContact CB-CG2 4.32Å; I51-V64 HydrophobicContact CD1-CB 4.4Å; I51-V64 HydrophobicContact CD1-CG2 4.32Å; I51-V64 HydrophobicContact CG1-CB 4.12Å; I51-V64 HydrophobicContact CG1-CG2 4.49Å; I51-V64 PolarHBondContact N-O 3.49Å; I51-V64 VanDerWaalsContact N-O 3.12Å; I51-V64 PolarHBondContact O-N 3.16Å; V64-N103 VanDerWaalsContact CG2-C 3.48Å; V64-I105 HydrophobicContact CG1-CD1 3.9Å; V64-I105 HydrophobicContact CG1-CG1 3.88Å; V64-I105 HydrophobicContact CG1-CG2 4.33Å
65I96.3Very high93.4Very high104 Ų10459.5 Ų59.553%0.53331%0.31SS..EExtended strand (participates in β ladder)trans-135.6109.1169.7-55.5176.6000107T48 R50 P62T48-I65 HydrophobicContact CG2-CG2 4.31Å; R50-I65 HydrophobicContact CG-CG1 4.29Å; R50-I65 HydrophobicContact CG-CG2 4.35Å; P62-I65 HydrophobicContact CB-CD1 4.31Å; P62-I65 HydrophobicContact CB-CG1 4.18Å; P62-I65 HydrophobicContact CG-CD1 4.46Å
66E97.5Very high93.8Very high67 Ų6755.1 Ų55.131%0.31330%0.297SS..EExtended strand (participates in β ladder)trans-110.8134.5-179.5177.969.2173.200109.8T48 L49 Y96 I105T48-E66 WeakPolarHBondContact CA-O 3.16Å; L49-E66 HydrophobicContact CB-CB 4.36Å; L49-E66 PolarHBondContact N-O 3.04Å; L49-E66 PolarHBondContact O-N 3.11Å; E66-Y96 HydrophobicContact CG-CE1 4.16Å; E66-Y96 WeakPolarHBondContact CG-OH 3.25Å; E66-Y96 PolarHBondContact OE1-OH 3.15Å; E66-I105 HydrophobicContact CB-CD1 3.85Å; E66-I105 HydrophobicContact CG-CD1 4.11Å
67L97.7Very high94.3Very high111 Ų11147.7 Ų47.758%0.58126%0.256SS*.EExtended strand (participates in β ladder)trans-100117.8179.8-177.967.3000110.5R47 T48R47-L67 HydrophobicContact CB-CD1 4.14Å; T48-L67 HydrophobicContact CG2-CD1 4.42Å
68L98.1Very high94.8Very high5 Ų543 Ų433%0.02623%0.228CC..  trans-97.7159-177.4-72.3157.4000112R47 L49 S70 V72 V86 L88 V94 Y96R47-L68 WeakPolarHBondContact CB-O 3.21Å; R47-L68 WeakPolarHBondContact O-CB 2.96Å; R47-L68 PolarHBondContact O-N 2.92Å; L49-L68 HydrophobicContact CB-CD1 3.76Å; L68-S70 PolarHBondContact O-N 2.97Å; L68-V72 HydrophobicContact CD1-CG2 3.35Å; L68-V86 HydrophobicContact CD1-CG1 3.95Å; L68-L88 HydrophobicContact CB-CD2 4.28Å; L68-L88 HydrophobicContact CD1-CD2 4.01Å; L68-V94 HydrophobicContact CD2-CB 4.44Å; L68-V94 HydrophobicContact CD2-CG1 4.38Å; L68-V94 HydrophobicContact CD2-CG2 4.09Å; L68-Y96 HydrophobicContact CD2-CE2 4.26Å; L68-Y96 VanDerWaalsContact CD2-OH 3.26Å; L68-Y96 WeakPolarHBondContact CD2-OH 3.42Å
69P97.2Very high95.3Very high90 Ų9044.2 Ų44.258%0.58424%0.235SC*.SBendtrans-67.5-22.2-178.425.5-34.1000113.3L88P69-L88 HydrophobicContact CG-CD1 3.91Å
70S98.3Very high95.6Very high14 Ų1446 Ų4610%0.09825%0.246CC..SBendtrans-145.5157.1-174.5-172.40000110.3L68 N90L68-S70 PolarHBondContact O-N 2.97Å; S70-N90 PolarHBondContact OG-N 3.12Å
71P98.5Very high95.8Very high36 Ų3647.6 Ų47.623%0.23426%0.258CS..  trans-53.7140.3179.1-31.438.5000112.9R47 L88 E89R47-P71 HydrophobicContact CG-CG 4.11Å; P71-L88 WeakPolarHBondContact O-CA 3.44Å; P71-E89 HydrophobicContact CB-CB 4.24Å; P71-E89 HydrophobicContact CG-CB 4.45Å; P71-E89 PolarHBondContact O-N 3.16Å
72V98.6Very high96.1Very high0 Ų043.6 Ų43.60%025%0.245CC..EExtended strand (participates in β ladder)trans-77.2135.3175.1-178.90000109.2N29 G43 S44 L68 I75 V86 L88N29-V72 VanDerWaalsContact CB-O 3.22Å; N29-V72 WeakPolarHBondContact CB-O 3.28Å; N29-V72 PolarHBondContact ND2-O 3.17Å; G43-V72 VanDerWaalsContact CA-CG1 3.49Å; S44-V72 PolarHBondContact O-N 3.11Å; L68-V72 HydrophobicContact CD1-CG2 3.35Å; V72-I75 HydrophobicContact CG1-CD1 4.18Å; V72-I75 HydrophobicContact CG1-CG1 3.88Å; V72-V86 HydrophobicContact CB-CG1 4.25Å; V72-V86 HydrophobicContact CG1-CG1 3.48Å; V72-V86 VanDerWaalsContact CG1-CG1 3.48Å; V72-V86 HydrophobicContact CG2-CG1 3.85Å; V72-L88 HydrophobicContact CG2-CD2 4.09Å
73T98.3Very high96.3Very high11 Ų1144.5 Ų44.57%0.06724%0.243CC..EExtended strand (participates in β ladder)trans-117.7-33-173.860.30000113.4G87 E89 R117 I118T73-G87 PolarHBondContact N-O 3.1Å; T73-G87 PolarHBondContact OG1-O 2.84Å; T73-G87 VanDerWaalsContact OG1-O 3.08Å; T73-E89 HydrophobicContact CG2-CB 4.03Å; T73-E89 VanDerWaalsContact CG2-OE2 3.31Å; T73-E89 WeakPolarHBondContact CG2-OE2 3.42Å; T73-R117 HydrophobicContact CG2-CG 3.81Å; T73-I118 VanDerWaalsContact CB-O 3.23Å; T73-I118 WeakPolarHBondContact CB-O 3.16Å; T73-I118 PolarHBondContact OG1-O 3.04Å
74C98Very high96.4Very high8 Ų843 Ų435%0.05423%0.234CC..EExtended strand (participates in β ladder)trans-156.9156.9175.558.20000111D30 G87 I118D30-C74 WeakPolarHBondContact OD2-CA 3.47Å; C74-G87 PolarHBondContact O-N 2.88Å; C74-I118 VanDerWaalsContact SG-CG2 3.58Å
75I98.3Very high96.6Very high9 Ų942.5 Ų42.55%0.04623%0.23CC..EExtended strand (participates in β ladder)trans-138.1140.4-175.9-51.7175.8000109.8D30 I32 V41 G43 L49 V72 L84 F85D30-I75 HydrophobicContact CB-CG1 4.47Å; D30-I75 PolarHBondContact OD2-N 3.1Å; I32-I75 HydrophobicContact CD1-CB 4.26Å; I32-I75 HydrophobicContact CD1-CG2 3.63Å; I32-I75 HydrophobicContact CG1-CB 4.45Å; I32-I75 HydrophobicContact CG1-CG2 4.09Å; V41-I75 HydrophobicContact CG1-CD1 4.03Å; V41-I75 HydrophobicContact CG1-CG2 4.31Å; G43-I75 VanDerWaalsContact N-CD1 3.35Å; L49-I75 HydrophobicContact CD1-CD1 3.7Å; L49-I75 HydrophobicContact CD1-CG1 4.39Å; V72-I75 HydrophobicContact CG1-CD1 4.18Å; V72-I75 HydrophobicContact CG1-CG1 3.88Å; I75-L84 HydrophobicContact CG2-CD1 3.37Å; I75-L84 HydrophobicContact CG2-CG 4.33Å; I75-F85 WeakPolarHBondContact CA-O 3.4Å
76T97.6Very high96.7Very high29 Ų2937.6 Ų37.618%0.17821%0.205CC..EExtended strand (participates in β ladder)trans-136.4147.4165.9-168.80000110.9F85 I121T76-F85 HydrophobicContact CG2-CB 3.85Å; T76-F85 HydrophobicContact CG2-CD2 4.25Å; T76-F85 HydrophobicContact CG2-CG 4.48Å; T76-F85 PolarHBondContact N-O 2.88Å; T76-F85 PolarHBondContact O-N 3.49Å; T76-I121 HydrophobicContact CG2-CB 4.03Å; T76-I121 HydrophobicContact CG2-CG2 3.56Å
77Y96.9Very high96.8Very high23 Ų2334.4 Ų34.49%0.0919%0.19CC..EExtended strand (participates in β ladder)trans-130.9132.9-177.4174.6-99.1000110.6I34 A79 H82 R83 L84 V98I34-Y77 HydrophobicContact CG2-CD1 4.21Å; I34-Y77 HydrophobicContact CG2-CE1 3.64Å; Y77-A79 VanDerWaalsContact CE1-CA 3.44Å; Y77-A79 HydrophobicContact CE1-CB 3.92Å; Y77-H82 PolarHBondContact OH-ND1 2.86Å; Y77-R83 WeakPolarHBondContact CA-O 3.45Å; Y77-R83 VanDerWaalsContact CD2-O 3.31Å; Y77-R83 WeakPolarHBondContact CD2-O 3.2Å; Y77-L84 HydrophobicContact CD2-CB 4.2Å; Y77-L84 HydrophobicContact CD2-CD1 4.26Å; Y77-V98 HydrophobicContact CD2-CG2 4.27Å; Y77-V98 HydrophobicContact CE2-CB 4.13Å; Y77-V98 HydrophobicContact CE2-CG2 3.92Å
78S94.6Very high96.8Very high7 Ų729.1 Ų29.15%0.04916%0.162CC..EExtended strand (participates in β ladder)trans-98.8111172.7175.30000109.6E80 S81 H82 R83S78-E80 VanDerWaalsContact C-N 3.29Å; S78-E80 PolarHBondContact O-N 2.86Å; S78-S81 WeakPolarHBondContact CB-OG 3.36Å; S78-S81 PolarHBondContact OG-N 3.08Å; S78-S81 PolarHBondContact OG-OG 3.25Å; S78-H82 WeakPolarHBondContact O-CA 3.43Å; S78-H82 PolarHBondContact O-N 3.2Å; S78-R83 PolarHBondContact N-O 3.19Å; S78-R83 PolarHBondContact O-N 3.2Å
79A91.5Very high96.8Very high48 Ų4832.2 Ų32.240%0.39718%0.177SC..THydrogen-bonded Turntrans-67.3-29.7176.300000113.2P35 Y77P35-A79 HydrophobicContact CB-CB 4.24Å; P35-A79 HydrophobicContact CG-CB 4.25Å; Y77-A79 VanDerWaalsContact CE1-CA 3.44Å; Y77-A79 HydrophobicContact CE1-CB 3.92Å
80E90.9Very high96.9Very high161 Ų16131.3 Ų31.375%0.75217%0.167SC*.THydrogen-bonded Turntrans-68.3-41.1178.8-177.1-177170.800112.3S78S78-E80 VanDerWaalsContact C-N 3.29Å; S78-E80 PolarHBondContact O-N 2.86Å
81S91.9Very high96.9Very high44 Ų4430.6 Ų30.631%0.30816%0.162SC..THydrogen-bonded Turntrans-103.2-3.2-175.662.50000114.2S78 R83S78-S81 WeakPolarHBondContact CB-OG 3.36Å; S78-S81 PolarHBondContact OG-N 3.08Å; S78-S81 PolarHBondContact OG-OG 3.25Å; S81-R83 PolarHBondContact O-N 3Å; S81-R83 WeakPolarHBondContact OG-CB 3.5Å
82H95Very high96.9Very high58 Ų5829.5 Ų29.527%0.26916%0.155SC..THydrogen-bonded Turntrans54.928.6-171.3-63.8-68000114.1Y77 S78 V98Y77-H82 PolarHBondContact OH-ND1 2.86Å; S78-H82 WeakPolarHBondContact O-CA 3.43Å; S78-H82 PolarHBondContact O-N 3.2Å; H82-V98 PolarHBondContact O-N 3.28Å
83R96.6Very high96.9Very high66 Ų6629.5 Ų29.525%0.24916%0.155CC..EExtended strand (participates in β ladder)trans-99.1136.3-179-68.8176.9-179.7164.86.1111.9Y77 S78 S81 F85 E95 Y96 D97 T144Y77-R83 WeakPolarHBondContact CA-O 3.45Å; Y77-R83 VanDerWaalsContact CD2-O 3.31Å; Y77-R83 WeakPolarHBondContact CD2-O 3.2Å; S78-R83 PolarHBondContact N-O 3.19Å; S78-R83 PolarHBondContact O-N 3.2Å; S81-R83 PolarHBondContact O-N 3Å; S81-R83 WeakPolarHBondContact OG-CB 3.5Å; R83-F85 HydrophobicContact CB-CE2 3.83Å; R83-F85 HydrophobicContact CB-CZ 4.22Å; R83-E95 WeakPolarHBondContact CD-OE1 3.48Å; R83-E95 IonicContact NE-OE1 3.34Å; R83-Y96 WeakPolarHBondContact CA-O 3.27Å; R83-D97 IonicContact NE-OD1 4Å; R83-T144 PolarHBondContact NH1-OG1 2.96Å
84L98.1Very high96.9Very high0 Ų029 Ų290%015%0.152CC..EExtended strand (participates in β ladder)trans-114.1126.5174.9-179.569.4000109.2I32 V41 L49 I75 Y77 V86 E95 Y96 V98I32-L84 HydrophobicContact CD1-CD1 4.45Å; V41-L84 HydrophobicContact CG1-CD1 4.31Å; V41-L84 HydrophobicContact CG1-CD2 4.12Å; V41-L84 HydrophobicContact CG2-CD1 4.47Å; L49-L84 HydrophobicContact CD1-CD2 4.48Å; L49-L84 HydrophobicContact CD2-CD2 3.81Å; I75-L84 HydrophobicContact CG2-CD1 3.37Å; I75-L84 HydrophobicContact CG2-CG 4.33Å; Y77-L84 HydrophobicContact CD2-CB 4.2Å; Y77-L84 HydrophobicContact CD2-CD1 4.26Å; L84-V86 HydrophobicContact CD2-CG2 4.26Å; L84-V86 HydrophobicContact CG-CG2 4.04Å; L84-E95 WeakPolarHBondContact O-CA 3.15Å; L84-Y96 PolarHBondContact N-O 3.36Å; L84-Y96 PolarHBondContact O-N 3.22Å; L84-V98 HydrophobicContact CB-CG2 3.61Å; L84-V98 HydrophobicContact CD2-CG2 4.29Å
85F98.6Very high97Very high2 Ų228.9 Ų28.91%0.00915%0.15CC..EExtended strand (participates in β ladder)trans-112.1132.7174.5-61-88.1000109.9I75 T76 R83 V93 V94 E95 Y111 I121 C123 V130 T144I75-F85 WeakPolarHBondContact CA-O 3.4Å; T76-F85 HydrophobicContact CG2-CB 3.85Å; T76-F85 HydrophobicContact CG2-CD2 4.25Å; T76-F85 HydrophobicContact CG2-CG 4.48Å; T76-F85 PolarHBondContact N-O 2.88Å; T76-F85 PolarHBondContact O-N 3.49Å; R83-F85 HydrophobicContact CB-CE2 3.83Å; R83-F85 HydrophobicContact CB-CZ 4.22Å; F85-V93 HydrophobicContact CB-CG1 4.21Å; F85-V93 HydrophobicContact CD1-CG1 4.28Å; F85-V94 CarbonylContact C-O 3.55Å; F85-V94 WeakPolarHBondContact CA-O 3.46Å; F85-E95 HydrophobicContact CD1-CB 3.88Å; F85-E95 HydrophobicContact CD1-CG 4.08Å; F85-E95 HydrophobicContact CE1-CB 3.76Å; F85-E95 HydrophobicContact CE1-CG 3.55Å; F85-E95 HydrophobicContact CZ-CG 4.04Å; F85-Y111 HydrophobicContact CE1-CE2 4.27Å; F85-I121 HydrophobicContact CB-CG2 4.03Å; F85-C123 HydrophobicContact CD2-CB 4.02Å; F85-C123 HydrophobicContact CE2-CB 3.82Å; F85-V130 HydrophobicContact CB-CG2 4.41Å; F85-V130 HydrophobicContact CD1-CB 4.1Å; F85-V130 HydrophobicContact CD1-CG1 4.48Å; F85-V130 HydrophobicContact CD1-CG2 3.7Å; F85-V130 HydrophobicContact CE1-CB 3.93Å; F85-V130 HydrophobicContact CE1-CG1 4.23Å; F85-V130 HydrophobicContact CE1-CG2 4.08Å; F85-V130 HydrophobicContact CG-CG2 3.98Å; F85-V130 HydrophobicContact CZ-CB 4.38Å; F85-T144 HydrophobicContact CE1-CG2 4.03Å; F85-T144 HydrophobicContact CZ-CG2 3.7Å
86V98.8Very high97Very high0 Ų028.7 Ų28.70%015%0.149CC..EExtended strand (participates in β ladder)trans-126.8119.4-171.9-173.40000109.3L49 L68 V72 L84 L88 V93 V94 Y96L49-V86 HydrophobicContact CD1-CG1 4.19Å; L49-V86 HydrophobicContact CD1-CG2 3.88Å; L49-V86 HydrophobicContact CD2-CG2 3.77Å; L49-V86 HydrophobicContact CG-CG2 4.46Å; L68-V86 HydrophobicContact CD1-CG1 3.95Å; V72-V86 HydrophobicContact CB-CG1 4.25Å; V72-V86 HydrophobicContact CG1-CG1 3.48Å; V72-V86 VanDerWaalsContact CG1-CG1 3.48Å; V72-V86 HydrophobicContact CG2-CG1 3.85Å; L84-V86 HydrophobicContact CD2-CG2 4.26Å; L84-V86 HydrophobicContact CG-CG2 4.04Å; V86-L88 HydrophobicContact CG1-CD2 4.03Å; V86-V93 CarbonylContact O-C 3.55Å; V86-V93 WeakPolarHBondContact O-CA 3.13Å; V86-V94 HydrophobicContact CB-CB 4.44Å; V86-V94 PolarHBondContact N-O 3.46Å; V86-V94 PolarHBondContact O-N 2.87Å; V86-Y96 HydrophobicContact CG2-CD2 4.22Å; V86-Y96 HydrophobicContact CG2-CE2 4.36Å
87G98.7Very high97Very high0 Ų029.7 Ų29.70%015%0.153CC..EExtended strand (participates in β ladder)trans-89.9138176.700000111T73 C74T73-G87 PolarHBondContact N-O 3.1Å; T73-G87 PolarHBondContact OG1-O 2.84Å; T73-G87 VanDerWaalsContact OG1-O 3.08Å; C74-G87 PolarHBondContact O-N 2.88Å
88L98.8Very high97Very high0 Ų029 Ų290%015%0.152CC..EExtended strand (participates in β ladder)trans-115.4159.4-178.3-54.4-172.2000112.8L68 P69 P71 V72 V86 N90 G91 T92 V94 I118L68-L88 HydrophobicContact CB-CD2 4.28Å; L68-L88 HydrophobicContact CD1-CD2 4.01Å; P69-L88 HydrophobicContact CG-CD1 3.91Å; P71-L88 WeakPolarHBondContact O-CA 3.44Å; V72-L88 HydrophobicContact CG2-CD2 4.09Å; V86-L88 HydrophobicContact CG1-CD2 4.03Å; L88-N90 VanDerWaalsContact CB-OD1 3.26Å; L88-N90 WeakPolarHBondContact CB-OD1 3.35Å; L88-N90 PolarHBondContact O-N 2.82Å; L88-G91 PolarHBondContact O-N 3.45Å; L88-G91 VanDerWaalsContact O-N 3.17Å; L88-T92 WeakPolarHBondContact CB-O 3.28Å; L88-T92 WeakPolarHBondContact CG-O 3.37Å; L88-T92 PolarHBondContact N-O 3.2Å; L88-V94 HydrophobicContact CD1-CG2 3.87Å; L88-V94 HydrophobicContact CG-CG2 4.28Å; L88-I118 PolarHBondContact O-N 3.25Å
89E98.7Very high97Very high71 Ų7130.1 Ų30.133%0.33216%0.161SC..THydrogen-bonded Turntrans-61.8-26.9176.6-170.169.8-155.900112.8P71 T73 G91 A116 R117P71-E89 HydrophobicContact CB-CB 4.24Å; P71-E89 HydrophobicContact CG-CB 4.45Å; P71-E89 PolarHBondContact O-N 3.16Å; T73-E89 HydrophobicContact CG2-CB 4.03Å; T73-E89 VanDerWaalsContact CG2-OE2 3.31Å; T73-E89 WeakPolarHBondContact CG2-OE2 3.42Å; E89-G91 VanDerWaalsContact C-N 3.29Å; E89-G91 PolarHBondContact O-N 3.49Å; E89-A116 CarbonylContact O-C 3.54Å; E89-R117 VanDerWaalsContact O-CA 3.3Å; E89-R117 WeakPolarHBondContact O-CA 3.44Å; E89-R117 PolarHBondContact O-N 3.19Å; E89-R117 VanDerWaalsContact O-N 3.12Å; E89-R117 WeakPolarHBondContact OE1-CB 3.27Å; E89-R117 WeakPolarHBondContact OE1-CD 3.24Å; E89-R117 IonicContact OE1-NH1 3.79Å; E89-R117 WeakPolarHBondContact OE2-CD 3.13Å; E89-R117 VanDerWaalsContact OE2-CG 3.28Å; E89-R117 WeakPolarHBondContact OE2-CG 3.1Å; E89-R117 IonicContact OE2-CZ 3.86Å; E89-R117 IonicContact OE2-NE 3.72Å; E89-R117 PolarHBondContact OE2-NE 2.9Å; E89-R117 IonicContact OE2-NH1 3.68Å; E89-R117 PolarHBondContact OE2-NH1 3.47Å
90N98.3Very high97.1Very high70 Ų7035.1 Ų35.137%0.37418%0.176SC..THydrogen-bonded Turntrans-85.42.9-179.471.2-10.8000113.7S70 L88 T92S70-N90 PolarHBondContact OG-N 3.12Å; L88-N90 VanDerWaalsContact CB-OD1 3.26Å; L88-N90 WeakPolarHBondContact CB-OD1 3.35Å; L88-N90 PolarHBondContact O-N 2.82Å; N90-T92 WeakPolarHBondContact OD1-CB 3.45Å; N90-T92 PolarHBondContact OD1-N 3.43Å; N90-T92 VanDerWaalsContact OD1-N 3.11Å; N90-T92 PolarHBondContact OD1-OG1 3.32Å
91G98.4Very high97.1Very high0 Ų032 Ų320%017%0.165CC..SBendtrans89.54.3179.500000116L88 E89 S113 H114 A116 I118L88-G91 PolarHBondContact O-N 3.45Å; L88-G91 VanDerWaalsContact O-N 3.17Å; E89-G91 VanDerWaalsContact C-N 3.29Å; E89-G91 PolarHBondContact O-N 3.49Å; G91-S113 PolarHBondContact O-N 2.89Å; G91-H114 WeakPolarHBondContact CA-O 3.32Å; G91-H114 PolarHBondContact O-N 2.94Å; G91-A116 WeakPolarHBondContact CA-O 3.5Å; G91-A116 PolarHBondContact N-O 3.27Å; G91-I118 VanDerWaalsContact C-CD1 3.45Å
92T98.6Very high97.2Very high12 Ų1230.2 Ų30.27%0.07415%0.152CC..EExtended strand (participates in β ladder)trans-88.3133176-53.50000111.3L88 N90 V94 D110 Y111 L112 I118L88-T92 WeakPolarHBondContact CB-O 3.28Å; L88-T92 WeakPolarHBondContact CG-O 3.37Å; L88-T92 PolarHBondContact N-O 3.2Å; N90-T92 WeakPolarHBondContact OD1-CB 3.45Å; N90-T92 PolarHBondContact OD1-N 3.43Å; N90-T92 VanDerWaalsContact OD1-N 3.11Å; N90-T92 PolarHBondContact OD1-OG1 3.32Å; T92-V94 HydrophobicContact CG2-CG2 4.09Å; T92-D110 HydrophobicContact CG2-CB 3.91Å; T92-Y111 WeakPolarHBondContact CA-O 3.46Å; T92-L112 HydrophobicContact CG2-CD2 4.31Å; T92-I118 WeakPolarHBondContact O-CD1 3.42Å
93V98.7Very high97.2Very high0 Ų031.1 Ų31.10%016%0.159CC..EExtended strand (participates in β ladder)trans-96.9126.2164.2-179.40000108.1F85 V86 Y111 I118 I121 V130F85-V93 HydrophobicContact CB-CG1 4.21Å; F85-V93 HydrophobicContact CD1-CG1 4.28Å; V86-V93 CarbonylContact O-C 3.55Å; V86-V93 WeakPolarHBondContact O-CA 3.13Å; V93-Y111 HydrophobicContact CB-CD2 4.22Å; V93-Y111 HydrophobicContact CG1-CD2 4.25Å; V93-Y111 PolarHBondContact N-O 2.79Å; V93-Y111 WeakPolarHBondContact O-CD2 3.44Å; V93-Y111 PolarHBondContact O-N 2.79Å; V93-I118 HydrophobicContact CB-CD1 4.49Å; V93-I118 HydrophobicContact CG2-CD1 3.56Å; V93-I121 HydrophobicContact CB-CD1 4.46Å; V93-I121 HydrophobicContact CG1-CD1 3.88Å; V93-I121 HydrophobicContact CG2-CD1 3.97Å; V93-I121 HydrophobicContact CG2-CG1 4.34Å; V93-V130 HydrophobicContact CG1-CG2 4.29Å
94V98.7Very high97.1Very high2 Ų233.2 Ų33.21%0.01217%0.171CC..EExtended strand (participates in β ladder)trans-106.3134.5178.3-172.30000109.4L68 F85 V86 L88 T92 Y96 D110L68-V94 HydrophobicContact CD2-CB 4.44Å; L68-V94 HydrophobicContact CD2-CG1 4.38Å; L68-V94 HydrophobicContact CD2-CG2 4.09Å; F85-V94 CarbonylContact C-O 3.55Å; F85-V94 WeakPolarHBondContact CA-O 3.46Å; V86-V94 HydrophobicContact CB-CB 4.44Å; V86-V94 PolarHBondContact N-O 3.46Å; V86-V94 PolarHBondContact O-N 2.87Å; L88-V94 HydrophobicContact CD1-CG2 3.87Å; L88-V94 HydrophobicContact CG-CG2 4.28Å; T92-V94 HydrophobicContact CG2-CG2 4.09Å; V94-Y96 HydrophobicContact CB-CE2 4.02Å; V94-Y96 HydrophobicContact CG1-CD2 3.94Å; V94-Y96 HydrophobicContact CG1-CE2 3.28Å; V94-D110 WeakPolarHBondContact CG1-OD1 3.35Å
95E98.5Very high97.1Very high4 Ų433.8 Ų33.82%0.01917%0.174CC..EExtended strand (participates in β ladder)trans-108.7132177.2176.8180-162.700110.9R83 L84 F85 K108 R109 Y111R83-E95 WeakPolarHBondContact CD-OE1 3.48Å; R83-E95 IonicContact NE-OE1 3.34Å; L84-E95 WeakPolarHBondContact O-CA 3.15Å; F85-E95 HydrophobicContact CD1-CB 3.88Å; F85-E95 HydrophobicContact CD1-CG 4.08Å; F85-E95 HydrophobicContact CE1-CB 3.76Å; F85-E95 HydrophobicContact CE1-CG 3.55Å; F85-E95 HydrophobicContact CZ-CG 4.04Å; E95-K108 HydrophobicContact CG-CB 4.19Å; E95-K108 PolarHBondContact O-N 3.42Å; E95-R109 PolarHBondContact N-O 2.68Å; E95-R109 PolarHBondContact O-N 3.15Å; E95-Y111 HydrophobicContact CB-CE2 3.87Å; E95-Y111 WeakPolarHBondContact OE2-CE2 3.29Å; E95-Y111 PolarHBondContact OE2-OH 3.44Å
96Y98.5Very high97.1Very high5 Ų538.3 Ų38.32%0.0220%0.195CC..EExtended strand (participates in β ladder)trans-125.6142.4175.2-68.5-88.6000110.6L49 E66 L68 R83 L84 V86 V94 I105 E106 H107L49-Y96 HydrophobicContact CD2-CD2 4.3Å; L49-Y96 HydrophobicContact CD2-CE2 4.14Å; E66-Y96 HydrophobicContact CG-CE1 4.16Å; E66-Y96 WeakPolarHBondContact CG-OH 3.25Å; E66-Y96 PolarHBondContact OE1-OH 3.15Å; L68-Y96 HydrophobicContact CD2-CE2 4.26Å; L68-Y96 VanDerWaalsContact CD2-OH 3.26Å; L68-Y96 WeakPolarHBondContact CD2-OH 3.42Å; R83-Y96 WeakPolarHBondContact CA-O 3.27Å; L84-Y96 PolarHBondContact N-O 3.36Å; L84-Y96 PolarHBondContact O-N 3.22Å; V86-Y96 HydrophobicContact CG2-CD2 4.22Å; V86-Y96 HydrophobicContact CG2-CE2 4.36Å; V94-Y96 HydrophobicContact CB-CE2 4.02Å; V94-Y96 HydrophobicContact CG1-CD2 3.94Å; V94-Y96 HydrophobicContact CG1-CE2 3.28Å; Y96-I105 HydrophobicContact CD1-CB 4.05Å; Y96-I105 HydrophobicContact CD1-CD1 3.71Å; Y96-I105 HydrophobicContact CD1-CG1 3.77Å; Y96-I105 HydrophobicContact CD2-CD1 4.48Å; Y96-I105 HydrophobicContact CE1-CD1 3.88Å; Y96-I105 HydrophobicContact CE1-CG1 4.13Å; Y96-I105 HydrophobicContact CG-CB 4.42Å; Y96-I105 HydrophobicContact CG-CD1 4.04Å; Y96-I105 HydrophobicContact CG-CG1 4.4Å; Y96-E106 CarbonylContact C-O 3.58Å; Y96-E106 VanDerWaalsContact CA-O 3.25Å; Y96-E106 WeakPolarHBondContact CA-O 3.44Å; Y96-H107 HydrophobicContact CD1-CB 4.14Å; Y96-H107 HydrophobicContact CE1-CB 3.78Å
97D97.5Very high97Very high50 Ų5042.4 Ų42.427%0.26721%0.214SC..EExtended strand (participates in β ladder)trans-86130.9158.9-77.9-2.6000108.6R83 I105 E106 K108R83-D97 IonicContact NE-OD1 4Å; D97-I105 CarbonylContact O-C 3.55Å; D97-I105 VanDerWaalsContact O-CA 3.31Å; D97-I105 WeakPolarHBondContact O-CA 3.47Å; D97-E106 PolarHBondContact N-O 3.13Å; D97-E106 PolarHBondContact O-N 3.21Å; D97-K108 HydrophobicContact CB-CG 4.37Å; D97-K108 WeakPolarHBondContact OD2-CE 3.49Å; D97-K108 IonicContact OD2-NZ 3.49Å; D97-K108 PolarHBondContact OD2-NZ 3.36Å
98V97.2Very high97Very high9 Ų946 Ų466%0.05523%0.23CC..EExtended strand (participates in β ladder)trans-100.1124.5-179.7-175.60000109.2I51 Y77 H82 L84 L102 I105I51-V98 HydrophobicContact CD1-CG1 3.94Å; Y77-V98 HydrophobicContact CD2-CG2 4.27Å; Y77-V98 HydrophobicContact CE2-CB 4.13Å; Y77-V98 HydrophobicContact CE2-CG2 3.92Å; H82-V98 PolarHBondContact O-N 3.28Å; L84-V98 HydrophobicContact CB-CG2 3.61Å; L84-V98 HydrophobicContact CD2-CG2 4.29Å; V98-L102 HydrophobicContact CG1-CD2 3.61Å; V98-I105 HydrophobicContact CB-CG2 4.43Å; V98-I105 HydrophobicContact CG1-CG2 4.24Å; V98-I105 HydrophobicContact CG2-CG2 4.08Å
99A95.8Very high96.9Very high30 Ų3050.2 Ų50.225%0.24825%0.246CC..PPolyproline II helixtrans-63.2148177.800000111.6D101 L102 H104A99-D101 WeakPolarHBondContact CB-OD1 3.23Å; A99-D101 PolarHBondContact O-N 3.35Å; A99-D101 VanDerWaalsContact O-N 3.16Å; A99-L102 PolarHBondContact O-N 2.69Å; A99-H104 HydrophobicContact CB-CB 4.04Å; A99-H104 VanDerWaalsContact CB-O 3.31Å; A99-H104 WeakPolarHBondContact CB-O 3.04Å; A99-H104 PolarHBondContact N-O 3.35Å
100E92.4Very high96.8Very high153 Ų15351 Ų5172%0.71525%0.252SS*.THydrogen-bonded Turntrans-58.4-32.5-178.2-72.4-174.2178.600113.1R37 L102R37-E100 PolarHBondContact NH1-O 3.09Å; R37-E100 PolarHBondContact NH2-O 3.28Å; E100-L102 VanDerWaalsContact C-N 3.29Å; E100-L102 PolarHBondContact O-N 2.78Å
101D92Very high96.8Very high95 Ų9547.9 Ų47.951%0.50824%0.235SC..THydrogen-bonded Turntrans-83.5-2-179.874.9-14.7000114.1A99 N103A99-D101 WeakPolarHBondContact CB-OD1 3.23Å; A99-D101 PolarHBondContact O-N 3.35Å; A99-D101 VanDerWaalsContact O-N 3.16Å; D101-N103 VanDerWaalsContact CG-ND2 3.26Å; D101-N103 PolarHBondContact O-N 3.11Å; D101-N103 PolarHBondContact O-ND2 2.64Å; D101-N103 PolarHBondContact OD1-N 3.04Å; D101-N103 WeakPolarHBondContact OD2-CB 3.16Å; D101-N103 PolarHBondContact OD2-ND2 3.03Å
102L94.4Very high96.8Very high7 Ų754.3 Ų54.34%0.03727%0.269CS..SBendtrans58.320-177.6-56.5-179.1000114.8I34 R37 S39 I51 V53 T63 V98 A99 E100I34-L102 HydrophobicContact CD1-CD1 3.98Å; I34-L102 HydrophobicContact CD1-CD2 3.59Å; I34-L102 HydrophobicContact CD1-CG 4.43Å; R37-L102 HydrophobicContact CB-CD1 4.39Å; S39-L102 WeakPolarHBondContact OG-CD1 3.3Å; I51-L102 HydrophobicContact CG2-CB 4.23Å; V53-L102 HydrophobicContact CG2-CB 3.88Å; V53-L102 HydrophobicContact CG2-CD1 4.05Å; T63-L102 WeakPolarHBondContact CB-O 3.27Å; T63-L102 PolarHBondContact OG1-O 3.19Å; V98-L102 HydrophobicContact CG1-CD2 3.61Å; A99-L102 PolarHBondContact O-N 2.69Å; E100-L102 VanDerWaalsContact C-N 3.29Å; E100-L102 PolarHBondContact O-N 2.78Å
103N93.5Very high96.7Very high78 Ų7854 Ų5442%0.41727%0.267SS..SBendtrans-100.3-3.5178-60.9-49.8000113T63 V64 D101T63-N103 WeakPolarHBondContact CG2-OD1 3.42Å; V64-N103 VanDerWaalsContact CG2-C 3.48Å; D101-N103 VanDerWaalsContact CG-ND2 3.26Å; D101-N103 PolarHBondContact O-N 3.11Å; D101-N103 PolarHBondContact O-ND2 2.64Å; D101-N103 PolarHBondContact OD1-N 3.04Å; D101-N103 WeakPolarHBondContact OD2-CB 3.16Å; D101-N103 PolarHBondContact OD2-ND2 3.03Å
104H95.6Very high96.7Very high110 Ų11054.7 Ų54.751%0.50927%0.27SS..  trans-148.9147.8-179.7-177.862.2000111.3A99A99-H104 HydrophobicContact CB-CB 4.04Å; A99-H104 VanDerWaalsContact CB-O 3.31Å; A99-H104 WeakPolarHBondContact CB-O 3.04Å; A99-H104 PolarHBondContact N-O 3.35Å
105I97.6Very high96.7Very high12 Ų1260.7 Ų60.76%0.06231%0.307CS..EExtended strand (participates in β ladder)trans-128.3139.5165.565-179.2000108.6L49 I51 V64 E66 Y96 D97 V98L49-I105 HydrophobicContact CD2-CD1 3.83Å; I51-I105 HydrophobicContact CD1-CG2 3.5Å; I51-I105 VanDerWaalsContact CD1-CG2 3.5Å; V64-I105 HydrophobicContact CG1-CD1 3.9Å; V64-I105 HydrophobicContact CG1-CG1 3.88Å; V64-I105 HydrophobicContact CG1-CG2 4.33Å; E66-I105 HydrophobicContact CB-CD1 3.85Å; E66-I105 HydrophobicContact CG-CD1 4.11Å; Y96-I105 HydrophobicContact CD1-CB 4.05Å; Y96-I105 HydrophobicContact CD1-CD1 3.71Å; Y96-I105 HydrophobicContact CD1-CG1 3.77Å; Y96-I105 HydrophobicContact CD2-CD1 4.48Å; Y96-I105 HydrophobicContact CE1-CD1 3.88Å; Y96-I105 HydrophobicContact CE1-CG1 4.13Å; Y96-I105 HydrophobicContact CG-CB 4.42Å; Y96-I105 HydrophobicContact CG-CD1 4.04Å; Y96-I105 HydrophobicContact CG-CG1 4.4Å; D97-I105 CarbonylContact O-C 3.55Å; D97-I105 VanDerWaalsContact O-CA 3.31Å; D97-I105 WeakPolarHBondContact O-CA 3.47Å; V98-I105 HydrophobicContact CB-CG2 4.43Å; V98-I105 HydrophobicContact CG1-CG2 4.24Å; V98-I105 HydrophobicContact CG2-CG2 4.08Å
106E97.9Very high96.7Very high96 Ų9661.9 Ų61.945%0.44932%0.318SS..EExtended strand (participates in β ladder)trans-108.9120.2178.7-167.4-165.8153.300109Y96 D97 K108Y96-E106 CarbonylContact C-O 3.58Å; Y96-E106 VanDerWaalsContact CA-O 3.25Å; Y96-E106 WeakPolarHBondContact CA-O 3.44Å; D97-E106 PolarHBondContact N-O 3.13Å; D97-E106 PolarHBondContact O-N 3.21Å; E106-K108 PolarHBondContact O-N 2.77Å; E106-K108 IonicContact OE1-NZ 2.76Å; E106-K108 PolarHBondContact OE1-NZ 3.29Å; E106-K108 IonicContact OE2-NZ 2.82Å; E106-K108 PolarHBondContact OE2-NZ 3.22Å
107H98.3Very high96.7Very high86 Ų8664.6 Ų64.640%0.39833%0.328SS..EExtended strand (participates in β ladder)trans-61.8128.8173.1175.7-96.2000109.8Y96 D110Y96-H107 HydrophobicContact CD1-CB 4.14Å; Y96-H107 HydrophobicContact CE1-CB 3.78Å; H107-D110 IonicContact CD2-OD1 2.96Å; H107-D110 IonicContact CE1-OD1 3.64Å; H107-D110 IonicContact NE2-OD1 3.75Å; H107-D110 PolarHBondContact NE2-OD1 3.41Å; H107-D110 IonicContact NE2-OD2 3.66Å
108K97.1Very high96.7Very high77 Ų7762.2 Ų62.234%0.33532%0.315SS..EExtended strand (participates in β ladder)trans-105.7-54.8175.3-68.4-55.6-172.3-168.10111.9E95 D97 E106E95-K108 HydrophobicContact CG-CB 4.19Å; E95-K108 PolarHBondContact O-N 3.42Å; D97-K108 HydrophobicContact CB-CG 4.37Å; D97-K108 WeakPolarHBondContact OD2-CE 3.49Å; D97-K108 IonicContact OD2-NZ 3.49Å; D97-K108 PolarHBondContact OD2-NZ 3.36Å; E106-K108 PolarHBondContact O-N 2.77Å; E106-K108 IonicContact OE1-NZ 2.76Å; E106-K108 PolarHBondContact OE1-NZ 3.29Å; E106-K108 IonicContact OE2-NZ 2.82Å; E106-K108 PolarHBondContact OE2-NZ 3.22Å
109R96.8Very high96.8Very high88 Ų8862.8 Ų62.833%0.33232%0.319SS..EExtended strand (participates in β ladder)trans-156.3153.8-169.2-65.7-172.7-173.91482.2113.2E95 Y111 T144 N145 G147E95-R109 PolarHBondContact N-O 2.68Å; E95-R109 PolarHBondContact O-N 3.15Å; R109-Y111 HydrophobicContact CB-CE2 4.27Å; R109-T144 PolarHBondContact NH1-O 3.18Å; R109-N145 PolarHBondContact NH1-O 2.93Å; R109-N145 VanDerWaalsContact NH1-O 3.16Å; R109-N145 PolarHBondContact NH2-O 3.08Å; R109-G147 VanDerWaalsContact NH1-N 3.19Å
110D98Very high96.9Very high88 Ų8861.7 Ų61.747%0.47131%0.31SS..EExtended strand (participates in β ladder)trans-112.1125.1167.1-64.6-15.5000109.7T92 V94 H107T92-D110 HydrophobicContact CG2-CB 3.91Å; V94-D110 WeakPolarHBondContact CG1-OD1 3.35Å; H107-D110 IonicContact CD2-OD1 2.96Å; H107-D110 IonicContact CE1-OD1 3.64Å; H107-D110 IonicContact NE2-OD1 3.75Å; H107-D110 PolarHBondContact NE2-OD1 3.41Å; H107-D110 IonicContact NE2-OD2 3.66Å
111Y98.3Very high97.2Very high3 Ų355 Ų551%0.01228%0.279CS..EExtended strand (participates in β ladder)trans-98.9110.9170.8-54.8-87.6000108.7F85 T92 V93 E95 R109 S113 V130 Y142F85-Y111 HydrophobicContact CE1-CE2 4.27Å; T92-Y111 WeakPolarHBondContact CA-O 3.46Å; V93-Y111 HydrophobicContact CB-CD2 4.22Å; V93-Y111 HydrophobicContact CG1-CD2 4.25Å; V93-Y111 PolarHBondContact N-O 2.79Å; V93-Y111 WeakPolarHBondContact O-CD2 3.44Å; V93-Y111 PolarHBondContact O-N 2.79Å; E95-Y111 HydrophobicContact CB-CE2 3.87Å; E95-Y111 WeakPolarHBondContact OE2-CE2 3.29Å; E95-Y111 PolarHBondContact OE2-OH 3.44Å; R109-Y111 HydrophobicContact CB-CE2 4.27Å; Y111-S113 WeakPolarHBondContact CB-OG 3.43Å; Y111-S113 PolarHBondContact O-N 3.23Å; Y111-V130 HydrophobicContact CD2-CG1 4.33Å; Y111-V130 HydrophobicContact CE1-CG1 4.3Å; Y111-V130 HydrophobicContact CE2-CG1 4.15Å; Y111-Y142 VanDerWaalsContact CD1-CB 3.48Å; Y111-Y142 AromaticContact CD1-CD1 3.52Å; Y111-Y142 HydrophobicContact CD1-CD1 3.52Å; Y111-Y142 HydrophobicContact CD1-CD2 4.37Å; Y111-Y142 HydrophobicContact CD1-CE1 4.34Å; Y111-Y142 AromaticContact CD1-CG 3.54Å; Y111-Y142 HydrophobicContact CD1-CG 3.54Å; Y111-Y142 HydrophobicContact CE1-CD1 4.27Å; Y111-Y142 HydrophobicContact CE1-CG 4.19Å; Y111-Y142 HydrophobicContact CG-CD1 4.44Å; Y111-Y142 HydrophobicContact CG-CG 4.32Å
112L97.6Very high97.4Very high135 Ų13551.2 Ų51.271%0.70726%0.26SS*.EExtended strand (participates in β ladder)trans-76.269.4171.3-58.2-178.9000109.3T92 Y142T92-L112 HydrophobicContact CG2-CD2 4.31Å; L112-Y142 PolarHBondContact O-OH 3.12Å; L112-Y142 VanDerWaalsContact O-OH 3.13Å
113S96.4Very high97.5Very high5 Ų552 Ų524%0.03527%0.265CS..  trans-78.7-38.1-169-62.60000113.6G91 Y111 Y142G91-S113 PolarHBondContact O-N 2.89Å; Y111-S113 WeakPolarHBondContact CB-OG 3.43Å; Y111-S113 PolarHBondContact O-N 3.23Å; S113-Y142 WeakPolarHBondContact CA-OH 3.5Å; S113-Y142 WeakPolarHBondContact OG-CE2 3.17Å
114H98.5Very high97.5Very high15 Ų1548.3 Ų48.37%0.06925%0.246CC..  trans-139.9165.5-166.9-64.9-71.2000111.9G91 S132 S134 D136 T138G91-H114 WeakPolarHBondContact CA-O 3.32Å; G91-H114 PolarHBondContact O-N 2.94Å; H114-S132 PolarHBondContact CD2-OG 2.81Å; H114-S132 VanDerWaalsContact CD2-OG 3.3Å; H114-S132 PolarHBondContact NE2-O 2.86Å; H114-S132 PolarHBondContact NE2-OG 2.86Å; H114-S134 VanDerWaalsContact ND1-CB 3.32Å; H114-S134 WeakPolarHBondContact ND1-CB 3.39Å; H114-D136 VanDerWaalsContact CA-OD2 3.23Å; H114-D136 WeakPolarHBondContact CA-OD2 3.39Å; H114-D136 WeakPolarHBondContact CB-OD2 3.35Å; H114-D136 IonicContact CG-OD2 3.31Å; H114-D136 IonicContact ND1-OD1 3.11Å; H114-D136 PolarHBondContact ND1-OD1 2.87Å; H114-D136 IonicContact ND1-OD2 3.29Å; H114-D136 PolarHBondContact ND1-OD2 3.03Å; H114-T138 PolarHBondContact CE1-O 3.09Å; H114-T138 VanDerWaalsContact CE1-O 3.27Å; H114-T138 PolarHBondContact CE1-OG1 3.48Å; H114-T138 VanDerWaalsContact CE1-OG1 3.25Å; H114-T138 PolarHBondContact ND1-OG1 3.22Å
115T98.3Very high97.2Very high128 Ų12845.6 Ų45.679%0.78524%0.238SC*.SBendtrans-105.1-1.8177.558.30000113.3D136T115-D136 PolarHBondContact N-OD2 3.13Å; T115-D136 WeakPolarHBondContact OG1-CB 3.48Å; T115-D136 PolarHBondContact OG1-OD2 2.98Å
116A98.5Very high96.8Very high30 Ų3049 Ų4925%0.24826%0.256CS..SBendtrans-143.8178.2177.100000111.4E89 G91 I118 S134 K135 D136E89-A116 CarbonylContact O-C 3.54Å; G91-A116 WeakPolarHBondContact CA-O 3.5Å; G91-A116 PolarHBondContact N-O 3.27Å; A116-I118 PolarHBondContact O-N 3.14Å; A116-S134 VanDerWaalsContact C-OG 3.28Å; A116-S134 PolarHBondContact O-OG 3.42Å; A116-K135 HydrophobicContact CB-CB 4.29Å; A116-D136 HydrophobicContact CB-CB 3.87Å
117R98.6Very high96.5Very high62 Ų6246.2 Ų46.223%0.23424%0.244CC..  trans-43122-179.6-177.4176.2-171.9127.8-4.2113T73 E89 S134 K135T73-R117 HydrophobicContact CG2-CG 3.81Å; E89-R117 VanDerWaalsContact O-CA 3.3Å; E89-R117 WeakPolarHBondContact O-CA 3.44Å; E89-R117 PolarHBondContact O-N 3.19Å; E89-R117 VanDerWaalsContact O-N 3.12Å; E89-R117 WeakPolarHBondContact OE1-CB 3.27Å; E89-R117 WeakPolarHBondContact OE1-CD 3.24Å; E89-R117 IonicContact OE1-NH1 3.79Å; E89-R117 WeakPolarHBondContact OE2-CD 3.13Å; E89-R117 VanDerWaalsContact OE2-CG 3.28Å; E89-R117 WeakPolarHBondContact OE2-CG 3.1Å; E89-R117 IonicContact OE2-CZ 3.86Å; E89-R117 IonicContact OE2-NE 3.72Å; E89-R117 PolarHBondContact OE2-NE 2.9Å; E89-R117 IonicContact OE2-NH1 3.68Å; E89-R117 PolarHBondContact OE2-NH1 3.47Å; R117-S134 WeakPolarHBondContact O-CA 3.45Å; R117-S134 PolarHBondContact O-OG 3.11Å; R117-K135 HydrophobicContact CB-CB 4.48Å; R117-K135 HydrophobicContact CB-CD 4.15Å; R117-K135 HydrophobicContact CB-CG 4.25Å; R117-K135 PolarHBondContact O-N 3.35Å
118I98.8Very high96.2Very high0 Ų042.6 Ų42.60%023%0.229CC..EExtended strand (participates in β ladder)trans-73.6133.6168.6-63.9157.6000109T73 C74 L88 G91 T92 V93 A116 I121 A133T73-I118 VanDerWaalsContact CB-O 3.23Å; T73-I118 WeakPolarHBondContact CB-O 3.16Å; T73-I118 PolarHBondContact OG1-O 3.04Å; C74-I118 VanDerWaalsContact SG-CG2 3.58Å; L88-I118 PolarHBondContact O-N 3.25Å; G91-I118 VanDerWaalsContact C-CD1 3.45Å; T92-I118 WeakPolarHBondContact O-CD1 3.42Å; V93-I118 HydrophobicContact CB-CD1 4.49Å; V93-I118 HydrophobicContact CG2-CD1 3.56Å; A116-I118 PolarHBondContact O-N 3.14Å; I118-I121 HydrophobicContact CG2-CD1 4.01Å; I118-I121 HydrophobicContact CG2-CG1 3.67Å; I118-A133 WeakPolarHBondContact CA-O 3.4Å; I118-A133 WeakPolarHBondContact CG2-O 3.44Å
119T98.4Very high96.2Very high20 Ų2039.3 Ų39.312%0.12322%0.215CC..EExtended strand (participates in β ladder)trans-114.7-14.8-175.457.80000113.5A133 K135 A159 M160T119-A133 PolarHBondContact N-O 2.7Å; T119-A133 PolarHBondContact OG1-O 3.11Å; T119-K135 HydrophobicContact CG2-CG 3.69Å; T119-A159 WeakPolarHBondContact CG2-O 3.2Å; T119-A159 PolarHBondContact OG1-O 2.82Å; T119-M160 WeakPolarHBondContact CB-O 3.46Å
120G97.9Very high96.2Very high7 Ų735.1 Ų35.17%0.07220%0.199CC..EExtended strand (participates in β ladder)trans-163147.5173.100000111.4S132 A133G120-S132 WeakPolarHBondContact O-CA 3.27Å; G120-A133 PolarHBondContact O-N 2.9Å
121I98.3Very high96.2Very high13 Ų1331 Ų317%0.06718%0.177CC..EExtended strand (participates in β ladder)trans-137.6137175.6-59.8167.1000108.5T76 F85 V93 I118 V130 V131T76-I121 HydrophobicContact CG2-CB 4.03Å; T76-I121 HydrophobicContact CG2-CG2 3.56Å; F85-I121 HydrophobicContact CB-CG2 4.03Å; V93-I121 HydrophobicContact CB-CD1 4.46Å; V93-I121 HydrophobicContact CG1-CD1 3.88Å; V93-I121 HydrophobicContact CG2-CD1 3.97Å; V93-I121 HydrophobicContact CG2-CG1 4.34Å; I118-I121 HydrophobicContact CG2-CD1 4.01Å; I118-I121 HydrophobicContact CG2-CG1 3.67Å; I121-V130 HydrophobicContact CG2-CG2 3.63Å; I121-V131 VanDerWaalsContact CA-O 3.31Å; I121-V131 WeakPolarHBondContact CA-O 3.36Å
122V97.2Very high96.2Very high15 Ų1530.9 Ų30.99%0.09118%0.177CC..EExtended strand (participates in β ladder)trans-132.5140.6171.7-640000108.7V131 L162 Y164V122-V131 HydrophobicContact CG2-CB 3.69Å; V122-V131 HydrophobicContact CG2-CG1 4.46Å; V122-V131 HydrophobicContact CG2-CG2 4.17Å; V122-V131 PolarHBondContact N-O 3.36Å; V122-V131 PolarHBondContact O-N 3.43Å; V122-L162 HydrophobicContact CG1-CD2 4.27Å; V122-L162 HydrophobicContact CG1-CG 4.27Å; V122-L162 HydrophobicContact CG2-CD2 3.78Å; V122-L162 HydrophobicContact CG2-CG 4.24Å; V122-Y164 HydrophobicContact CG2-CG 4.41Å
123C95.5Very high96.3Very high23 Ų2324.5 Ų24.516%0.15514%0.143CC..EExtended strand (participates in β ladder)trans-102.7146.1171.362.60000109.9F85 P125F85-C123 HydrophobicContact CD2-CB 4.02Å; F85-C123 HydrophobicContact CE2-CB 3.82Å; C123-P125 WeakPolarHBondContact O-CD 3.49Å
124T93.5Very high96.4Very high1 Ų124.2 Ų24.21%0.00614%0.142CC..EExtended strand (participates in β ladder)trans-122.384.7177.270.10000107.8D126 M127 G128 W129 V131 Y164T124-D126 WeakPolarHBondContact CA-OD1 3.27Å; T124-D126 WeakPolarHBondContact CB-OD1 3.26Å; T124-D126 PolarHBondContact O-N 3.26Å; T124-M127 HydrophobicContact CG2-CE 3.72Å; T124-M127 PolarHBondContact O-N 3.22Å; T124-M127 WeakPolarHBondContact OG1-CE 3.46Å; T124-G128 WeakPolarHBondContact O-CA 3.35Å; T124-G128 PolarHBondContact O-N 2.89Å; T124-W129 PolarHBondContact N-O 2.88Å; T124-W129 PolarHBondContact O-N 2.97Å; T124-W129 VanDerWaalsContact O-N 3.16Å; T124-W129 WeakPolarHBondContact OG1-CB 3.36Å; T124-W129 PolarHBondContact OG1-N 3.3Å; T124-W129 PolarHBondContact OG1-O 2.76Å; T124-V131 HydrophobicContact CG2-CG2 4.3Å; T124-Y164 HydrophobicContact CG2-CD1 3.87Å; T124-Y164 HydrophobicContact CG2-CD2 4.1Å; T124-Y164 HydrophobicContact CG2-CE1 3.42Å; T124-Y164 VanDerWaalsContact CG2-CE1 3.42Å; T124-Y164 HydrophobicContact CG2-CE2 3.69Å; T124-Y164 HydrophobicContact CG2-CG 4.2Å
125P90.1Very high96.4Very high54 Ų5427.6 Ų27.635%0.35116%0.156SC..THydrogen-bonded Turntrans-58.3-35.9-174.7-24.935.1000113.1C123 G128C123-P125 WeakPolarHBondContact O-CD 3.49Å; P125-G128 PolarHBondContact O-N 3.15Å
126D89.9Confident96.4Very high82 Ų8222.9 Ų22.944%0.43913%0.126SC..THydrogen-bonded Turntrans-59-43.2175.859.5-41.3000113.4T124 Y164 H169T124-D126 WeakPolarHBondContact CA-OD1 3.27Å; T124-D126 WeakPolarHBondContact CB-OD1 3.26Å; T124-D126 PolarHBondContact O-N 3.26Å; D126-Y164 PolarHBondContact OD2-OH 3.06Å; D126-H169 IonicContact OD2-CE1 3.98Å; D126-H169 PolarHBondContact OD2-CE1 2.8Å; D126-H169 IonicContact OD2-ND1 3.46Å; D126-H169 PolarHBondContact OD2-ND1 3.47Å
127M89.9Confident96.4Very high39 Ų3927.6 Ų27.619%0.19214%0.138CC..THydrogen-bonded Turntrans-90.8-14.2175.4-58-171.8-70.100112.9T124 W129 Y164 H169 I185T124-M127 HydrophobicContact CG2-CE 3.72Å; T124-M127 PolarHBondContact O-N 3.22Å; T124-M127 WeakPolarHBondContact OG1-CE 3.46Å; M127-W129 HydrophobicContact CB-CD2 3.82Å; M127-W129 HydrophobicContact CB-CE3 4.26Å; M127-W129 HydrophobicContact CB-CG 4.01Å; M127-W129 HydrophobicContact CB-CZ2 4.41Å; M127-W129 HydrophobicContact CE-CD2 4.24Å; M127-W129 HydrophobicContact CE-CE3 3.56Å; M127-W129 HydrophobicContact CE-CZ3 3.77Å; M127-W129 PolarHBondContact O-NE1 3.26Å; M127-W129 VanDerWaalsContact O-NE1 3.11Å; M127-W129 HydrophobicContact SD-CD2 4.34Å; M127-W129 HydrophobicContact SD-CE3 3.86Å; M127-W129 HydrophobicContact SD-CH2 3.9Å; M127-W129 HydrophobicContact SD-CZ2 4.36Å; M127-W129 HydrophobicContact SD-CZ3 3.62Å; M127-Y164 HydrophobicContact CE-CE2 4.16Å; M127-Y164 WeakPolarHBondContact CE-OH 3.37Å; M127-H169 HydrophobicContact CE-CB 4.26Å; M127-H169 HydrophobicContact SD-CB 4.21Å; M127-I185 HydrophobicContact CE-CD1 4.08Å; M127-I185 HydrophobicContact CE-CG1 4.35Å
128G93.7Very high96.4Very high9 Ų925.3 Ų25.39%0.09313%0.13CC..THydrogen-bonded Turntrans66.938.7-172.800000113.1T124 P125 T144T124-G128 WeakPolarHBondContact O-CA 3.35Å; T124-G128 PolarHBondContact O-N 2.89Å; P125-G128 PolarHBondContact O-N 3.15Å; G128-T144 VanDerWaalsContact C-OG1 3.29Å; G128-T144 PolarHBondContact O-N 2.98Å; G128-T144 PolarHBondContact O-OG1 2.78Å
129W95.6Very high96.4Very high8 Ų825.3 Ų25.33%0.0313%0.131CC..EExtended strand (participates in β ladder)trans-118.4155.1-179.8-49.7-16.4000112.5T124 M127 W141 Y142 I150 I185 Q187T124-W129 PolarHBondContact N-O 2.88Å; T124-W129 PolarHBondContact O-N 2.97Å; T124-W129 VanDerWaalsContact O-N 3.16Å; T124-W129 WeakPolarHBondContact OG1-CB 3.36Å; T124-W129 PolarHBondContact OG1-N 3.3Å; T124-W129 PolarHBondContact OG1-O 2.76Å; M127-W129 HydrophobicContact CB-CD2 3.82Å; M127-W129 HydrophobicContact CB-CE3 4.26Å; M127-W129 HydrophobicContact CB-CG 4.01Å; M127-W129 HydrophobicContact CB-CZ2 4.41Å; M127-W129 HydrophobicContact CE-CD2 4.24Å; M127-W129 HydrophobicContact CE-CE3 3.56Å; M127-W129 HydrophobicContact CE-CZ3 3.77Å; M127-W129 PolarHBondContact O-NE1 3.26Å; M127-W129 VanDerWaalsContact O-NE1 3.11Å; M127-W129 HydrophobicContact SD-CD2 4.34Å; M127-W129 HydrophobicContact SD-CE3 3.86Å; M127-W129 HydrophobicContact SD-CH2 3.9Å; M127-W129 HydrophobicContact SD-CZ2 4.36Å; M127-W129 HydrophobicContact SD-CZ3 3.62Å; W129-W141 AromaticContact CD2-CD1 3.93Å; W129-W141 AromaticContact CE3-CD1 3.5Å; W129-W141 HydrophobicContact CE3-CG 4.37Å; W129-W141 AromaticContact CE3-NE1 3.88Å; W129-W141 AromaticContact CZ3-CD1 3.89Å; W129-W141 AromaticContact CZ3-NE1 3.75Å; W129-Y142 CarbonylContact C-O 3.59Å; W129-Y142 WeakPolarHBondContact CA-O 3.49Å; W129-Y142 WeakPolarHBondContact CB-O 3.45Å; W129-I150 HydrophobicContact CB-CD1 4.3Å; W129-I150 HydrophobicContact CD2-CD1 3.72Å; W129-I150 HydrophobicContact CG-CD1 3.49Å; W129-I150 VanDerWaalsContact CG-CD1 3.49Å; W129-I150 HydrophobicContact CZ2-CD1 4.39Å; W129-I150 VanDerWaalsContact NE1-CD1 3.28Å; W129-I185 HydrophobicContact CE3-CD1 4.17Å; W129-I185 HydrophobicContact CZ3-CB 4.17Å; W129-I185 HydrophobicContact CZ3-CD1 4.23Å; W129-I185 HydrophobicContact CZ3-CG1 4.38Å; W129-Q187 HydrophobicContact CH2-CB 3.93Å; W129-Q187 HydrophobicContact CZ2-CB 3.72Å
130V97.7Very high96.4Very high1 Ų124.4 Ų24.41%0.00613%0.125CC..EExtended strand (participates in β ladder)trans-117129.5162.959.70000107.9F85 V93 Y111 I121 W141 Y142 T144F85-V130 HydrophobicContact CB-CG2 4.41Å; F85-V130 HydrophobicContact CD1-CB 4.1Å; F85-V130 HydrophobicContact CD1-CG1 4.48Å; F85-V130 HydrophobicContact CD1-CG2 3.7Å; F85-V130 HydrophobicContact CE1-CB 3.93Å; F85-V130 HydrophobicContact CE1-CG1 4.23Å; F85-V130 HydrophobicContact CE1-CG2 4.08Å; F85-V130 HydrophobicContact CG-CG2 3.98Å; F85-V130 HydrophobicContact CZ-CB 4.38Å; V93-V130 HydrophobicContact CG1-CG2 4.29Å; Y111-V130 HydrophobicContact CD2-CG1 4.33Å; Y111-V130 HydrophobicContact CE1-CG1 4.3Å; Y111-V130 HydrophobicContact CE2-CG1 4.15Å; I121-V130 HydrophobicContact CG2-CG2 3.63Å; V130-W141 CarbonylContact O-C 3.58Å; V130-W141 WeakPolarHBondContact O-CA 3.08Å; V130-W141 VanDerWaalsContact O-CB 3.26Å; V130-W141 WeakPolarHBondContact O-CB 3.31Å; V130-Y142 PolarHBondContact N-O 2.82Å; V130-Y142 PolarHBondContact O-N 2.72Å; V130-T144 HydrophobicContact CB-CG2 4.09Å; V130-T144 HydrophobicContact CG1-CG2 4.2Å
131V98.2Very high96.3Very high0 Ų024 Ų240%012%0.121CC..EExtended strand (participates in β ladder)trans-115132.1179.9-1700000108.1I121 V122 T124 V139 A140 W141 L162 V171 I185I121-V131 VanDerWaalsContact CA-O 3.31Å; I121-V131 WeakPolarHBondContact CA-O 3.36Å; V122-V131 HydrophobicContact CG2-CB 3.69Å; V122-V131 HydrophobicContact CG2-CG1 4.46Å; V122-V131 HydrophobicContact CG2-CG2 4.17Å; V122-V131 PolarHBondContact N-O 3.36Å; V122-V131 PolarHBondContact O-N 3.43Å; T124-V131 HydrophobicContact CG2-CG2 4.3Å; V131-V139 HydrophobicContact CG1-CG1 3.73Å; V131-A140 CarbonylContact C-O 3.59Å; V131-A140 WeakPolarHBondContact CA-O 3.41Å; V131-W141 HydrophobicContact CB-CB 4.1Å; V131-W141 HydrophobicContact CG1-CB 4.18Å; V131-W141 HydrophobicContact CG1-CE3 4.44Å; V131-W141 HydrophobicContact CG2-CB 3.75Å; V131-W141 HydrophobicContact CG2-CG 4.48Å; V131-L162 HydrophobicContact CG1-CD2 4.32Å; V131-V171 HydrophobicContact CG1-CG2 4.46Å; V131-I185 HydrophobicContact CG2-CD1 3.73Å
132S98.7Very high96.3Very high2 Ų224.4 Ų24.41%0.01412%0.122CC..EExtended strand (participates in β ladder)trans-129.6148.7178.156.10000111.2H114 G120 V139 A140H114-S132 PolarHBondContact CD2-OG 2.81Å; H114-S132 VanDerWaalsContact CD2-OG 3.3Å; H114-S132 PolarHBondContact NE2-O 2.86Å; H114-S132 PolarHBondContact NE2-OG 2.86Å; G120-S132 WeakPolarHBondContact O-CA 3.27Å; S132-V139 CarbonylContact O-C 3.59Å; S132-V139 VanDerWaalsContact O-CA 3.26Å; S132-V139 WeakPolarHBondContact O-CA 3.29Å; S132-A140 PolarHBondContact N-O 3.22Å; S132-A140 PolarHBondContact O-N 2.8Å
133A98.6Very high96.2Very high0 Ų024.7 Ų24.70%013%0.125CC..EExtended strand (participates in β ladder)trans-122.1147.1173.900000110.4I118 T119 G120 V139 A159 L162 V173I118-A133 WeakPolarHBondContact CA-O 3.4Å; I118-A133 WeakPolarHBondContact CG2-O 3.44Å; T119-A133 PolarHBondContact N-O 2.7Å; T119-A133 PolarHBondContact OG1-O 3.11Å; G120-A133 PolarHBondContact O-N 2.9Å; A133-V139 HydrophobicContact CB-CG2 4.04Å; A133-A159 HydrophobicContact CB-CB 3.78Å; A133-L162 HydrophobicContact CB-CB 4.2Å; A133-L162 HydrophobicContact CB-CD1 4.01Å; A133-L162 HydrophobicContact CB-CD2 4.19Å; A133-L162 HydrophobicContact CB-CG 4.39Å; A133-V173 HydrophobicContact CB-CG1 4.41Å
134S98.8Very high96.2Very high0 Ų024 Ų240%012%0.12CC..EExtended strand (participates in β ladder)trans-141.1159.5-173.5173.70000114.4H114 A116 R117 D136 R137 T138 A159H114-S134 VanDerWaalsContact ND1-CB 3.32Å; H114-S134 WeakPolarHBondContact ND1-CB 3.39Å; A116-S134 VanDerWaalsContact C-OG 3.28Å; A116-S134 PolarHBondContact O-OG 3.42Å; R117-S134 WeakPolarHBondContact O-CA 3.45Å; R117-S134 PolarHBondContact O-OG 3.11Å; S134-D136 VanDerWaalsContact CB-OD1 3.22Å; S134-D136 WeakPolarHBondContact CB-OD1 3.35Å; S134-D136 PolarHBondContact O-N 3.3Å; S134-D136 PolarHBondContact OG-N 3.19Å; S134-D136 VanDerWaalsContact OG-N 3.16Å; S134-D136 PolarHBondContact OG-OD1 3.35Å; S134-R137 PolarHBondContact O-N 3.25Å; S134-R137 VanDerWaalsContact O-N 3.08Å; S134-T138 PolarHBondContact N-O 3.17Å; S134-A159 WeakPolarHBondContact O-CB 3.43Å; S134-A159 PolarHBondContact O-N 2.91Å
135K98.7Very high96.2Very high85 Ų8529.3 Ų29.337%0.3715%0.148SC..THydrogen-bonded Turntrans-63.2-14.2169.9-68.9-165.5176.2-179.30113.8A116 R117 T119 R137 S158A116-K135 HydrophobicContact CB-CB 4.29Å; R117-K135 HydrophobicContact CB-CB 4.48Å; R117-K135 HydrophobicContact CB-CD 4.15Å; R117-K135 HydrophobicContact CB-CG 4.25Å; R117-K135 PolarHBondContact O-N 3.35Å; T119-K135 HydrophobicContact CG2-CG 3.69Å; K135-R137 PolarHBondContact O-N 3.07Å; K135-R137 VanDerWaalsContact O-N 3.15Å; K135-S158 WeakPolarHBondContact O-CB 3.45Å; K135-S158 PolarHBondContact O-OG 3.31Å
136D98.6Very high96.4Very high30 Ų3029.6 Ų29.616%0.1615%0.152CC..THydrogen-bonded Turntrans-70.40.5170.769.74.8000113.5H114 T115 A116 S134 T138H114-D136 VanDerWaalsContact CA-OD2 3.23Å; H114-D136 WeakPolarHBondContact CA-OD2 3.39Å; H114-D136 WeakPolarHBondContact CB-OD2 3.35Å; H114-D136 IonicContact CG-OD2 3.31Å; H114-D136 IonicContact ND1-OD1 3.11Å; H114-D136 PolarHBondContact ND1-OD1 2.87Å; H114-D136 IonicContact ND1-OD2 3.29Å; H114-D136 PolarHBondContact ND1-OD2 3.03Å; T115-D136 PolarHBondContact N-OD2 3.13Å; T115-D136 WeakPolarHBondContact OG1-CB 3.48Å; T115-D136 PolarHBondContact OG1-OD2 2.98Å; A116-D136 HydrophobicContact CB-CB 3.87Å; S134-D136 VanDerWaalsContact CB-OD1 3.22Å; S134-D136 WeakPolarHBondContact CB-OD1 3.35Å; S134-D136 PolarHBondContact O-N 3.3Å; S134-D136 PolarHBondContact OG-N 3.19Å; S134-D136 VanDerWaalsContact OG-N 3.16Å; S134-D136 PolarHBondContact OG-OD1 3.35Å; D136-T138 PolarHBondContact OD1-N 3.5Å; D136-T138 PolarHBondContact OD1-OG1 2.57Å
137R98.6Very high96.7Very high129 Ų12926.9 Ų26.949%0.48714%0.143SC..SBendtrans76.722.3178.3-44.8178.2-74.7176-3.3113S134 K135 L155S134-R137 PolarHBondContact O-N 3.25Å; S134-R137 VanDerWaalsContact O-N 3.08Å; K135-R137 PolarHBondContact O-N 3.07Å; K135-R137 VanDerWaalsContact O-N 3.15Å; R137-L155 HydrophobicContact CB-CB 4.5Å; R137-L155 WeakPolarHBondContact O-CB 3.35Å; R137-L155 PolarHBondContact O-N 2.8Å
138T98.2Very high97Very high13 Ų1334.1 Ų34.18%0.0817%0.168CC..EExtended strand (participates in β ladder)trans-121.2154176.882.90000112.9H114 S134 D136 E152 H153 I154H114-T138 PolarHBondContact CE1-O 3.09Å; H114-T138 VanDerWaalsContact CE1-O 3.27Å; H114-T138 PolarHBondContact CE1-OG1 3.48Å; H114-T138 VanDerWaalsContact CE1-OG1 3.25Å; H114-T138 PolarHBondContact ND1-OG1 3.22Å; S134-T138 PolarHBondContact N-O 3.17Å; D136-T138 PolarHBondContact OD1-N 3.5Å; D136-T138 PolarHBondContact OD1-OG1 2.57Å; T138-E152 WeakPolarHBondContact CB-OE1 3.49Å; T138-E152 HydrophobicContact CG2-CG 4.36Å; T138-E152 VanDerWaalsContact CG2-OE1 3.3Å; T138-E152 WeakPolarHBondContact CG2-OE1 3.34Å; T138-E152 PolarHBondContact OG1-OE1 3.22Å; T138-H153 VanDerWaalsContact CA-O 3.28Å; T138-H153 WeakPolarHBondContact CA-O 3.49Å; T138-I154 HydrophobicContact CG2-CG1 4.25Å
139V98.3Very high97.1Very high1 Ų138.7 Ų38.71%0.00618%0.182CC..EExtended strand (participates in β ladder)trans-117122167.6-179.40000106V131 S132 A133 E152 H153 L155 V173 L183V131-V139 HydrophobicContact CG1-CG1 3.73Å; S132-V139 CarbonylContact O-C 3.59Å; S132-V139 VanDerWaalsContact O-CA 3.26Å; S132-V139 WeakPolarHBondContact O-CA 3.29Å; A133-V139 HydrophobicContact CB-CG2 4.04Å; V139-E152 CarbonylContact O-C 3.58Å; V139-E152 VanDerWaalsContact O-CA 3.29Å; V139-E152 WeakPolarHBondContact O-CA 3.47Å; V139-H153 PolarHBondContact N-O 2.87Å; V139-H153 PolarHBondContact O-N 3.1Å; V139-L155 HydrophobicContact CG2-CD1 3.98Å; V139-L155 HydrophobicContact CG2-CG 4.41Å; V139-V173 HydrophobicContact CG2-CB 4.5Å; V139-V173 HydrophobicContact CG2-CG1 3.99Å; V139-V173 HydrophobicContact CG2-CG2 3.78Å; V139-L183 HydrophobicContact CB-CD1 4.41Å; V139-L183 HydrophobicContact CG1-CD1 4.5Å; V139-L183 HydrophobicContact CG2-CD1 4.4Å
140A97.8Very high97Very high0 Ų040.2 Ų40.20%019%0.191CC..EExtended strand (participates in β ladder)trans-126.8148.9-176.700000110.2V131 S132 Y142V131-A140 CarbonylContact C-O 3.59Å; V131-A140 WeakPolarHBondContact CA-O 3.41Å; S132-A140 PolarHBondContact N-O 3.22Å; S132-A140 PolarHBondContact O-N 2.8Å; A140-Y142 HydrophobicContact CB-CE2 4.11Å
141W96.6Very high96.9Very high0 Ų042 Ų420%020%0.203CC..EExtended strand (participates in β ladder)trans-137.4149.2173.357.7104.2000113.1W129 V130 V131 I150 C151 I185 V192 C194W129-W141 AromaticContact CD2-CD1 3.93Å; W129-W141 AromaticContact CE3-CD1 3.5Å; W129-W141 HydrophobicContact CE3-CG 4.37Å; W129-W141 AromaticContact CE3-NE1 3.88Å; W129-W141 AromaticContact CZ3-CD1 3.89Å; W129-W141 AromaticContact CZ3-NE1 3.75Å; V130-W141 CarbonylContact O-C 3.58Å; V130-W141 WeakPolarHBondContact O-CA 3.08Å; V130-W141 VanDerWaalsContact O-CB 3.26Å; V130-W141 WeakPolarHBondContact O-CB 3.31Å; V131-W141 HydrophobicContact CB-CB 4.1Å; V131-W141 HydrophobicContact CG1-CB 4.18Å; V131-W141 HydrophobicContact CG1-CE3 4.44Å; V131-W141 HydrophobicContact CG2-CB 3.75Å; V131-W141 HydrophobicContact CG2-CG 4.48Å; W141-I150 HydrophobicContact CG-CB 4.38Å; W141-I150 WeakPolarHBondContact O-CB 3.36Å; W141-I150 PolarHBondContact O-N 3.07Å; W141-C151 HydrophobicContact CD2-CB 4.32Å; W141-C151 HydrophobicContact CH2-CB 3.76Å; W141-C151 HydrophobicContact CZ2-CB 3.27Å; W141-C151 PolarHBondContact N-O 2.91Å; W141-C151 VanDerWaalsContact N-O 3.11Å; W141-C151 PolarHBondContact O-N 3.33Å; W141-I185 HydrophobicContact CE3-CG2 4.46Å; W141-I185 HydrophobicContact CH2-CG2 3.88Å; W141-I185 HydrophobicContact CZ2-CB 4.42Å; W141-I185 HydrophobicContact CZ2-CG2 3.83Å; W141-I185 HydrophobicContact CZ3-CG2 4.17Å; W141-V192 HydrophobicContact CZ2-CG1 4.04Å; W141-C194 HydrophobicContact CH2-CB 3.61Å; W141-C194 VanDerWaalsContact CH2-SG 3.59Å; W141-C194 HydrophobicContact CZ2-CB 3.9Å
142Y97.5Very high96.8Very high20 Ų2045.3 Ų45.38%0.07822%0.219CC..EExtended strand (participates in β ladder)trans-130.5150.2-171.8-71.2-108.3000109.8Y111 L112 S113 W129 V130 A140 T144 R148 R149Y111-Y142 VanDerWaalsContact CD1-CB 3.48Å; Y111-Y142 AromaticContact CD1-CD1 3.52Å; Y111-Y142 HydrophobicContact CD1-CD1 3.52Å; Y111-Y142 HydrophobicContact CD1-CD2 4.37Å; Y111-Y142 HydrophobicContact CD1-CE1 4.34Å; Y111-Y142 AromaticContact CD1-CG 3.54Å; Y111-Y142 HydrophobicContact CD1-CG 3.54Å; Y111-Y142 HydrophobicContact CE1-CD1 4.27Å; Y111-Y142 HydrophobicContact CE1-CG 4.19Å; Y111-Y142 HydrophobicContact CG-CD1 4.44Å; Y111-Y142 HydrophobicContact CG-CG 4.32Å; L112-Y142 PolarHBondContact O-OH 3.12Å; L112-Y142 VanDerWaalsContact O-OH 3.13Å; S113-Y142 WeakPolarHBondContact CA-OH 3.5Å; S113-Y142 WeakPolarHBondContact OG-CE2 3.17Å; W129-Y142 CarbonylContact C-O 3.59Å; W129-Y142 WeakPolarHBondContact CA-O 3.49Å; W129-Y142 WeakPolarHBondContact CB-O 3.45Å; V130-Y142 PolarHBondContact N-O 2.82Å; V130-Y142 PolarHBondContact O-N 2.72Å; A140-Y142 HydrophobicContact CB-CE2 4.11Å; Y142-T144 PolarHBondContact O-N 3.38Å; Y142-R148 VanDerWaalsContact CA-O 3.31Å; Y142-R148 WeakPolarHBondContact CA-O 3.45Å; Y142-R149 HydrophobicContact CD1-CB 3.91Å; Y142-R149 HydrophobicContact CD1-CG 4.45Å; Y142-R149 VanDerWaalsContact CD1-N 3.27Å; Y142-R149 HydrophobicContact CE1-CB 3.47Å; Y142-R149 VanDerWaalsContact CE1-CB 3.47Å; Y142-R149 HydrophobicContact CE1-CG 3.92Å; Y142-R149 HydrophobicContact CE2-CB 4.45Å; Y142-R149 HydrophobicContact CE2-CG 4.02Å; Y142-R149 PolarHBondContact OH-NE 3.38Å
143S95.7Very high96.7Very high22 Ų2247.3 Ų47.315%0.15423%0.228CC..EExtended strand (participates in β ladder)trans-77.2120.1172.1171.50000109.2N145 S146 G147 R148S143-N145 PolarHBondContact O-N 3.39Å; S143-N145 PolarHBondContact OG-N 3.4Å; S143-S146 VanDerWaalsContact CB-OG 3.26Å; S143-S146 WeakPolarHBondContact CB-OG 3.5Å; S143-S146 PolarHBondContact O-N 3.04Å; S143-S146 PolarHBondContact OG-N 3.3Å; S143-S146 PolarHBondContact OG-OG 3.13Å; S143-G147 WeakPolarHBondContact O-CA 3.32Å; S143-G147 PolarHBondContact O-N 2.71Å; S143-R148 PolarHBondContact N-O 3.46Å
144T95.7Very high96.7Very high9 Ų953 Ų536%0.05526%0.257CS..THydrogen-bonded Turntrans-68-18175.660.70000112R83 F85 R109 G128 V130 Y142R83-T144 PolarHBondContact NH1-OG1 2.96Å; F85-T144 HydrophobicContact CE1-CG2 4.03Å; F85-T144 HydrophobicContact CZ-CG2 3.7Å; R109-T144 PolarHBondContact NH1-O 3.18Å; G128-T144 VanDerWaalsContact C-OG1 3.29Å; G128-T144 PolarHBondContact O-N 2.98Å; G128-T144 PolarHBondContact O-OG1 2.78Å; V130-T144 HydrophobicContact CB-CG2 4.09Å; V130-T144 HydrophobicContact CG1-CG2 4.2Å; Y142-T144 PolarHBondContact O-N 3.38Å
145N94.3Very high96.6Very high111 Ų11153.4 Ų53.459%0.59426%0.259SS*.THydrogen-bonded Turntrans-81-44.3178-65.2-18.6000111.8R109 S143R109-N145 PolarHBondContact NH1-O 2.93Å; R109-N145 VanDerWaalsContact NH1-O 3.16Å; R109-N145 PolarHBondContact NH2-O 3.08Å; S143-N145 PolarHBondContact O-N 3.39Å; S143-N145 PolarHBondContact OG-N 3.4Å
146S94.3Very high96.5Very high61 Ų6155 Ų5543%0.42727%0.268SS..THydrogen-bonded Turntrans-103.7-13.9-173.765.30000115.1S143 R148S143-S146 VanDerWaalsContact CB-OG 3.26Å; S143-S146 WeakPolarHBondContact CB-OG 3.5Å; S143-S146 PolarHBondContact O-N 3.04Å; S143-S146 PolarHBondContact OG-N 3.3Å; S143-S146 PolarHBondContact OG-OG 3.13Å; S146-R148 PolarHBondContact O-N 2.89Å; S146-R148 PolarHBondContact OG-N 3.42Å
147G95Very high96.5Very high25 Ų2556.8 Ų56.826%0.25828%0.275SS..  trans76-1-17300000113.9R109 S143R109-G147 VanDerWaalsContact NH1-N 3.19Å; S143-G147 WeakPolarHBondContact O-CA 3.32Å; S143-G147 PolarHBondContact O-N 2.71Å
148R95.7Very high96.5Very high191 Ų19152.3 Ų52.372%0.72126%0.263SS*.  trans-85.6143.4-171.9-65.9-175.6173.4-163.6-1.9112.1Y142 S143 S146 I150Y142-R148 VanDerWaalsContact CA-O 3.31Å; Y142-R148 WeakPolarHBondContact CA-O 3.45Å; S143-R148 PolarHBondContact N-O 3.46Å; S146-R148 PolarHBondContact O-N 2.89Å; S146-R148 PolarHBondContact OG-N 3.42Å; R148-I150 PolarHBondContact O-N 2.91Å
149R95.9Very high96.5Very high104 Ų10451.7 Ų51.739%0.39226%0.259SS..EExtended strand (participates in β ladder)trans-62.4129.1169.9-165.5175.9-154-166.316.1109.3Y142 E152Y142-R149 HydrophobicContact CD1-CB 3.91Å; Y142-R149 HydrophobicContact CD1-CG 4.45Å; Y142-R149 VanDerWaalsContact CD1-N 3.27Å; Y142-R149 HydrophobicContact CE1-CB 3.47Å; Y142-R149 VanDerWaalsContact CE1-CB 3.47Å; Y142-R149 HydrophobicContact CE1-CG 3.92Å; Y142-R149 HydrophobicContact CE2-CB 4.45Å; Y142-R149 HydrophobicContact CE2-CG 4.02Å; Y142-R149 PolarHBondContact OH-NE 3.38Å; R149-E152 VanDerWaalsContact CZ-CD 3.49Å; R149-E152 IonicContact CZ-OE1 3.8Å; R149-E152 IonicContact CZ-OE2 2.78Å; R149-E152 VanDerWaalsContact CZ-OE2 3.29Å; R149-E152 IonicContact NH1-OE1 2.75Å; R149-E152 IonicContact NH1-OE2 2.72Å; R149-E152 PolarHBondContact NH1-OE2 2.8Å; R149-E152 IonicContact NH2-OE1 3.94Å; R149-E152 PolarHBondContact NH2-OE1 3.1Å; R149-E152 IonicContact NH2-OE2 3.67Å; R149-E152 PolarHBondContact NH2-OE2 3.18Å; R149-E152 VanDerWaalsContact NH2-OE2 3.11Å
150I94.5Very high96.5Very high41 Ų4153.9 Ų53.921%0.2127%0.27CS..EExtended strand (participates in β ladder)trans-92.9-55.7178.9-63176.6000108.9W129 W141 R148 V192W129-I150 HydrophobicContact CB-CD1 4.3Å; W129-I150 HydrophobicContact CD2-CD1 3.72Å; W129-I150 HydrophobicContact CG-CD1 3.49Å; W129-I150 VanDerWaalsContact CG-CD1 3.49Å; W129-I150 HydrophobicContact CZ2-CD1 4.39Å; W129-I150 VanDerWaalsContact NE1-CD1 3.28Å; W141-I150 HydrophobicContact CG-CB 4.38Å; W141-I150 WeakPolarHBondContact O-CB 3.36Å; W141-I150 PolarHBondContact O-N 3.07Å; R148-I150 PolarHBondContact O-N 2.91Å; I150-V192 HydrophobicContact CG2-CB 4.08Å; I150-V192 HydrophobicContact CG2-CG1 3.74Å; I150-V192 HydrophobicContact CG2-CG2 3.25Å
151C94.9Very high96.6Very high38 Ų3854 Ų5426%0.25727%0.271SS..EExtended strand (participates in β ladder)trans-163.8172.7-178.9-177.10000110.7W141 V192W141-C151 HydrophobicContact CD2-CB 4.32Å; W141-C151 HydrophobicContact CH2-CB 3.76Å; W141-C151 HydrophobicContact CZ2-CB 3.27Å; W141-C151 PolarHBondContact N-O 2.91Å; W141-C151 VanDerWaalsContact N-O 3.11Å; W141-C151 PolarHBondContact O-N 3.33Å; C151-V192 HydrophobicContact CB-CG1 3.95Å
152E95.5Very high96.6Very high70 Ų7054.3 Ų54.333%0.32727%0.273SS..EExtended strand (participates in β ladder)trans-144.3143.5179.3174.9172.7-126.700109.4T138 V139 R149T138-E152 WeakPolarHBondContact CB-OE1 3.49Å; T138-E152 HydrophobicContact CG2-CG 4.36Å; T138-E152 VanDerWaalsContact CG2-OE1 3.3Å; T138-E152 WeakPolarHBondContact CG2-OE1 3.34Å; T138-E152 PolarHBondContact OG1-OE1 3.22Å; V139-E152 CarbonylContact O-C 3.58Å; V139-E152 VanDerWaalsContact O-CA 3.29Å; V139-E152 WeakPolarHBondContact O-CA 3.47Å; R149-E152 VanDerWaalsContact CZ-CD 3.49Å; R149-E152 IonicContact CZ-OE1 3.8Å; R149-E152 IonicContact CZ-OE2 2.78Å; R149-E152 VanDerWaalsContact CZ-OE2 3.29Å; R149-E152 IonicContact NH1-OE1 2.75Å; R149-E152 IonicContact NH1-OE2 2.72Å; R149-E152 PolarHBondContact NH1-OE2 2.8Å; R149-E152 IonicContact NH2-OE1 3.94Å; R149-E152 PolarHBondContact NH2-OE1 3.1Å; R149-E152 IonicContact NH2-OE2 3.67Å; R149-E152 PolarHBondContact NH2-OE2 3.18Å; R149-E152 VanDerWaalsContact NH2-OE2 3.11Å
153H97.2Very high96.6Very high44 Ų4455.7 Ų55.720%0.20428%0.28CS..EExtended strand (participates in β ladder)trans-121.6136.2169.4-174.373000110.1T138 V139 L183T138-H153 VanDerWaalsContact CA-O 3.28Å; T138-H153 WeakPolarHBondContact CA-O 3.49Å; V139-H153 PolarHBondContact N-O 2.87Å; V139-H153 PolarHBondContact O-N 3.1Å; H153-L183 HydrophobicContact CB-CD1 4.12Å
154I98Very high96.7Very high119 Ų11955.6 Ų55.661%0.6128%0.276SS*.EExtended strand (participates in β ladder)trans-99.2126.5179-58.1172.7000108.8T138T138-I154 HydrophobicContact CG2-CG1 4.25Å
155L97.7Very high96.6Very high9 Ų955.8 Ų55.85%0.04728%0.277CS..  trans-92.4159.9174.9-57.3165.7000110.5R137 V139 H157 A159 V173 T181R137-L155 HydrophobicContact CB-CB 4.5Å; R137-L155 WeakPolarHBondContact O-CB 3.35Å; R137-L155 PolarHBondContact O-N 2.8Å; V139-L155 HydrophobicContact CG2-CD1 3.98Å; V139-L155 HydrophobicContact CG2-CG 4.41Å; L155-H157 WeakPolarHBondContact CB-O 3.4Å; L155-A159 HydrophobicContact CD1-CB 3.68Å; L155-V173 HydrophobicContact CD1-CG1 3.75Å; L155-T181 HydrophobicContact CD2-CG2 4.39Å
156E96.9Very high96.4Very high119 Ų11954.5 Ų54.556%0.55627%0.273SS*.SBendtrans-68.6-38.7175-166.9172.9168.500111.6R179E156-R179 IonicContact OE2-CZ 3.58Å; E156-R179 IonicContact OE2-NH1 2.87Å; E156-R179 PolarHBondContact OE2-NH1 2.83Å
157H98.4Very high96.1Very high67 Ų6754.9 Ų54.931%0.3129%0.286SS..SBendtrans-126.6167.8-177-59.5-71.1000111.9L155 A159 D175 S177L155-H157 WeakPolarHBondContact CB-O 3.4Å; H157-A159 PolarHBondContact O-N 2.87Å; H157-D175 HydrophobicContact CB-CB 4.25Å; H157-S177 WeakPolarHBondContact CD2-CB 3.17Å; H157-S177 PolarHBondContact CD2-OG 3.36Å; H157-S177 VanDerWaalsContact CD2-OG 3.28Å
158S98.6Very high95.8Very high34 Ų3455.5 Ų55.524%0.23829%0.286CS..  trans-61.9129.4-178.5-67.60000110.3K135 D175 S176K135-S158 WeakPolarHBondContact O-CB 3.45Å; K135-S158 PolarHBondContact O-OG 3.31Å; S158-D175 WeakPolarHBondContact O-CA 3.44Å; S158-D175 WeakPolarHBondContact O-CB 3.34Å; S158-S176 PolarHBondContact N-OG 3.16Å; S158-S176 PolarHBondContact O-N 3.45Å; S158-S176 PolarHBondContact O-OG 2.96Å
159A98.7Very high95.6Very high0 Ų048.4 Ų48.40%026%0.261CS..EExtended strand (participates in β ladder)trans-67.3145.1172.700000109.7T119 A133 S134 L155 H157 V173T119-A159 WeakPolarHBondContact CG2-O 3.2Å; T119-A159 PolarHBondContact OG1-O 2.82Å; A133-A159 HydrophobicContact CB-CB 3.78Å; S134-A159 WeakPolarHBondContact O-CB 3.43Å; S134-A159 PolarHBondContact O-N 2.91Å; L155-A159 HydrophobicContact CD1-CB 3.68Å; H157-A159 PolarHBondContact O-N 2.87Å; A159-V173 HydrophobicContact CB-CG1 3.84Å
160M98.6Very high95.6Very high48 Ų4846.2 Ų46.224%0.23625%0.254CS..EExtended strand (participates in β ladder)trans-127.4-26.1-175.1-64.8-58.1-58.400112.6T119 G174 S206 V207T119-M160 WeakPolarHBondContact CB-O 3.46Å; M160-G174 PolarHBondContact N-O 3.28Å; M160-S206 WeakPolarHBondContact CG-OG 3.48Å; M160-V207 WeakPolarHBondContact CB-O 3.35Å
161C98.2Very high95.7Very high1 Ų144.3 Ų44.31%0.00724%0.244CC..EExtended strand (participates in β ladder)trans-156.8161.4175.754.90000111.1G174 F209C161-G174 PolarHBondContact N-O 3.01Å; C161-G174 PolarHBondContact O-N 2.59Å; C161-G174 VanDerWaalsContact O-N 3.12Å; C161-F209 HydrophobicContact CB-CD2 4.41Å
162L97.9Very high95.8Very high8 Ų842.5 Ų42.54%0.04223%0.231CC..EExtended strand (participates in β ladder)trans-142133.9-173.5-170.467.3000109.9V122 V131 A133 V171 F172 V173V122-L162 HydrophobicContact CG1-CD2 4.27Å; V122-L162 HydrophobicContact CG1-CG 4.27Å; V122-L162 HydrophobicContact CG2-CD2 3.78Å; V122-L162 HydrophobicContact CG2-CG 4.24Å; V131-L162 HydrophobicContact CG1-CD2 4.32Å; A133-L162 HydrophobicContact CB-CB 4.2Å; A133-L162 HydrophobicContact CB-CD1 4.01Å; A133-L162 HydrophobicContact CB-CD2 4.19Å; A133-L162 HydrophobicContact CB-CG 4.39Å; L162-V171 HydrophobicContact CD1-CG1 3.25Å; L162-V171 HydrophobicContact CG-CG1 4.27Å; L162-F172 WeakPolarHBondContact CA-O 3.22Å; L162-V173 HydrophobicContact CD1-CG2 3.81Å
163E97.5Very high96Very high49 Ų4939.2 Ų39.223%0.22922%0.216CC..EExtended strand (participates in β ladder)trans-135.9155.5170.9-83.5-63.3159.900110.6V171 F172 L210E163-V171 WeakPolarHBondContact O-CA 3.5Å; E163-F172 HydrophobicContact CB-CB 4.35Å; E163-F172 HydrophobicContact CB-CD2 4.34Å; E163-F172 PolarHBondContact N-O 3.37Å; E163-F172 PolarHBondContact O-N 2.82Å; E163-L210 HydrophobicContact CB-CB 4.02Å; E163-L210 HydrophobicContact CB-CD1 4.44Å; E163-L210 HydrophobicContact CG-CB 3.44Å; E163-L210 VanDerWaalsContact CG-CB 3.44Å
164Y96.3Very high96.1Very high19 Ų1937.1 Ų37.18%0.07521%0.207CC..EExtended strand (participates in β ladder)trans-133.7135.5-175.2172.8-113.8000112.5V122 T124 D126 M127 V166 H169 Y170 V171V122-Y164 HydrophobicContact CG2-CG 4.41Å; T124-Y164 HydrophobicContact CG2-CD1 3.87Å; T124-Y164 HydrophobicContact CG2-CD2 4.1Å; T124-Y164 HydrophobicContact CG2-CE1 3.42Å; T124-Y164 VanDerWaalsContact CG2-CE1 3.42Å; T124-Y164 HydrophobicContact CG2-CE2 3.69Å; T124-Y164 HydrophobicContact CG2-CG 4.2Å; D126-Y164 PolarHBondContact OD2-OH 3.06Å; M127-Y164 HydrophobicContact CE-CE2 4.16Å; M127-Y164 WeakPolarHBondContact CE-OH 3.37Å; Y164-V166 HydrophobicContact CD1-CG2 3.94Å; Y164-V166 VanDerWaalsContact CE1-CA 3.47Å; Y164-V166 HydrophobicContact CE1-CB 4.02Å; Y164-V166 HydrophobicContact CE1-CG2 3.61Å; Y164-H169 HydrophobicContact CE2-CB 4.41Å; Y164-H169 PolarHBondContact OH-ND1 3.46Å; Y164-Y170 CarbonylContact C-O 3.6Å; Y164-Y170 WeakPolarHBondContact CA-O 3.36Å; Y164-Y170 VanDerWaalsContact CD2-O 3.25Å; Y164-Y170 WeakPolarHBondContact CD2-O 3.4Å; Y164-V171 HydrophobicContact CD2-CG2 3.89Å
165D94.6Very high96.1Very high13 Ų1331.5 Ų31.57%0.0718%0.178CC..EExtended strand (participates in β ladder)trans-101.3110.4169-176.837.6000111.1G167 S168 H169 Y170 F172 W212D165-G167 PolarHBondContact O-N 3.19Å; D165-G167 PolarHBondContact OD1-N 2.94Å; D165-S168 VanDerWaalsContact OD2-CB 3.28Å; D165-S168 WeakPolarHBondContact OD2-CB 3.34Å; D165-S168 PolarHBondContact OD2-N 2.94Å; D165-S168 PolarHBondContact OD2-OG 2.8Å; D165-H169 VanDerWaalsContact O-CA 3.28Å; D165-H169 WeakPolarHBondContact O-CA 3.22Å; D165-H169 PolarHBondContact O-N 3.43Å; D165-Y170 PolarHBondContact N-O 2.86Å; D165-Y170 PolarHBondContact O-N 2.76Å; D165-F172 HydrophobicContact CB-CE2 4.25Å; D165-W212 HydrophobicContact CB-CZ2 4.1Å; D165-W212 VanDerWaalsContact CB-NE1 3.3Å; D165-W212 PolarHBondContact OD1-NE1 2.77Å
166V90.2Very high96.1Very high85 Ų8533.4 Ų33.452%0.51519%0.192SC..THydrogen-bonded Turntrans-60.2-36.3177.1-175.10000111.4Y164 H169Y164-V166 HydrophobicContact CD1-CG2 3.94Å; Y164-V166 VanDerWaalsContact CE1-CA 3.47Å; Y164-V166 HydrophobicContact CE1-CB 4.02Å; Y164-V166 HydrophobicContact CE1-CG2 3.61Å; V166-H169 PolarHBondContact O-CE1 3.14Å; V166-H169 PolarHBondContact O-ND1 2.72Å
167G87.4Confident96.2Very high69 Ų6930 Ų3071%0.71118%0.181SC*.THydrogen-bonded Turntrans-70.3-41-172.900000114.1D165D165-G167 PolarHBondContact O-N 3.19Å; D165-G167 PolarHBondContact OD1-N 2.94Å
168S88.1Confident96.1Very high37 Ų3726.9 Ų26.926%0.25917%0.168SC..THydrogen-bonded Turntrans-106.9-3-177.8650000114.7D165 Y170D165-S168 VanDerWaalsContact OD2-CB 3.28Å; D165-S168 WeakPolarHBondContact OD2-CB 3.34Å; D165-S168 PolarHBondContact OD2-N 2.94Å; D165-S168 PolarHBondContact OD2-OG 2.8Å; S168-Y170 VanDerWaalsContact C-N 3.28Å; S168-Y170 WeakPolarHBondContact O-CD1 3.46Å; S168-Y170 PolarHBondContact O-N 2.94Å; S168-Y170 WeakPolarHBondContact OG-CB 3.15Å; S168-Y170 WeakPolarHBondContact OG-CD2 3.42Å
169H92.9Very high96.1Very high42 Ų4226.5 Ų26.519%0.19416%0.161CC..THydrogen-bonded Turntrans5444.8-170.9-47.3-58.2000112.6D126 M127 Y164 D165 V166 I185D126-H169 IonicContact OD2-CE1 3.98Å; D126-H169 PolarHBondContact OD2-CE1 2.8Å; D126-H169 IonicContact OD2-ND1 3.46Å; D126-H169 PolarHBondContact OD2-ND1 3.47Å; M127-H169 HydrophobicContact CE-CB 4.26Å; M127-H169 HydrophobicContact SD-CB 4.21Å; Y164-H169 HydrophobicContact CE2-CB 4.41Å; Y164-H169 PolarHBondContact OH-ND1 3.46Å; D165-H169 VanDerWaalsContact O-CA 3.28Å; D165-H169 WeakPolarHBondContact O-CA 3.22Å; D165-H169 PolarHBondContact O-N 3.43Å; V166-H169 PolarHBondContact O-CE1 3.14Å; V166-H169 PolarHBondContact O-ND1 2.72Å; H169-I185 WeakPolarHBondContact CB-O 3.35Å; H169-I185 WeakPolarHBondContact O-CG1 3.47Å; H169-I185 PolarHBondContact O-N 2.99Å
170Y94.7Very high96.1Very high59 Ų5926.6 Ų26.623%0.23116%0.161CC..EExtended strand (participates in β ladder)trans-100.1138.6178.2-76.7-0.6000110.7Y164 D165 S168 L182 L183 I197Y164-Y170 CarbonylContact C-O 3.6Å; Y164-Y170 WeakPolarHBondContact CA-O 3.36Å; Y164-Y170 VanDerWaalsContact CD2-O 3.25Å; Y164-Y170 WeakPolarHBondContact CD2-O 3.4Å; D165-Y170 PolarHBondContact N-O 2.86Å; D165-Y170 PolarHBondContact O-N 2.76Å; S168-Y170 VanDerWaalsContact C-N 3.28Å; S168-Y170 WeakPolarHBondContact O-CD1 3.46Å; S168-Y170 PolarHBondContact O-N 2.94Å; S168-Y170 WeakPolarHBondContact OG-CB 3.15Å; S168-Y170 WeakPolarHBondContact OG-CD2 3.42Å; Y170-L182 HydrophobicContact CD2-CD1 3.76Å; Y170-L182 HydrophobicContact CD2-CD2 4.16Å; Y170-L182 HydrophobicContact CD2-CG 4.45Å; Y170-L182 HydrophobicContact CE2-CD2 4.42Å; Y170-L182 HydrophobicContact CG-CD1 3.67Å; Y170-L183 CarbonylContact C-O 3.59Å; Y170-L183 WeakPolarHBondContact CA-O 3.4Å; Y170-I197 HydrophobicContact CE1-CG1 4.47Å
171V97.3Very high96Very high0 Ų024.5 Ų24.50%015%0.151CC..EExtended strand (participates in β ladder)trans-115.4124.2175.2172.80000108.1V131 L162 E163 Y164 V173 L183 I185V131-V171 HydrophobicContact CG1-CG2 4.46Å; L162-V171 HydrophobicContact CD1-CG1 3.25Å; L162-V171 HydrophobicContact CG-CG1 4.27Å; E163-V171 WeakPolarHBondContact O-CA 3.5Å; Y164-V171 HydrophobicContact CD2-CG2 3.89Å; V171-V173 HydrophobicContact CG1-CG2 3.86Å; V171-L183 HydrophobicContact CB-CB 4.38Å; V171-L183 PolarHBondContact N-O 3.18Å; V171-L183 PolarHBondContact O-N 3.33Å; V171-I185 HydrophobicContact CG2-CD1 3.43Å; V171-I185 VanDerWaalsContact CG2-CD1 3.43Å; V171-I185 HydrophobicContact CG2-CG1 3.8Å
172F98.1Very high96Very high0 Ų024.9 Ų24.90%015%0.153CC..EExtended strand (participates in β ladder)trans-100.4129.9174.5-54.2-84.7000109.1L162 E163 D165 I180 L182 L210 W212 L219 I233L162-F172 WeakPolarHBondContact CA-O 3.22Å; E163-F172 HydrophobicContact CB-CB 4.35Å; E163-F172 HydrophobicContact CB-CD2 4.34Å; E163-F172 PolarHBondContact N-O 3.37Å; E163-F172 PolarHBondContact O-N 2.82Å; D165-F172 HydrophobicContact CB-CE2 4.25Å; F172-I180 HydrophobicContact CB-CG2 4.47Å; F172-L182 HydrophobicContact CD1-CB 4.3Å; F172-L182 HydrophobicContact CD1-CD1 3.74Å; F172-L182 HydrophobicContact CD1-CG 4.47Å; F172-L182 HydrophobicContact CE1-CB 4.48Å; F172-L182 HydrophobicContact CE1-CD1 3.53Å; F172-L182 HydrophobicContact CE1-CD2 4.21Å; F172-L182 HydrophobicContact CE1-CG 4.26Å; F172-L182 HydrophobicContact CG-CD1 4.46Å; F172-L182 HydrophobicContact CZ-CD1 4.05Å; F172-L210 HydrophobicContact CB-CD1 3.75Å; F172-W212 HydrophobicContact CD2-CE3 4.46Å; F172-W212 HydrophobicContact CE1-CZ3 4.23Å; F172-W212 AromaticContact CE2-CD2 3.71Å; F172-W212 HydrophobicContact CE2-CD2 3.71Å; F172-W212 AromaticContact CE2-CE3 3.62Å; F172-W212 HydrophobicContact CE2-CE3 3.62Å; F172-W212 HydrophobicContact CE2-CG 4.28Å; F172-W212 HydrophobicContact CE2-CH2 4.19Å; F172-W212 HydrophobicContact CE2-CZ2 4.25Å; F172-W212 AromaticContact CE2-CZ3 3.9Å; F172-W212 HydrophobicContact CE2-CZ3 3.9Å; F172-W212 HydrophobicContact CZ-CD2 4.15Å; F172-W212 AromaticContact CZ-CE3 3.7Å; F172-W212 HydrophobicContact CZ-CE3 3.7Å; F172-W212 AromaticContact CZ-CH2 3.67Å; F172-W212 HydrophobicContact CZ-CH2 3.67Å; F172-W212 HydrophobicContact CZ-CZ2 4.09Å; F172-W212 AromaticContact CZ-CZ3 3.46Å; F172-W212 HydrophobicContact CZ-CZ3 3.46Å; F172-W212 VanDerWaalsContact CZ-CZ3 3.46Å; F172-L219 HydrophobicContact CB-CD1 4.2Å; F172-L219 HydrophobicContact CB-CD2 4.37Å; F172-L219 HydrophobicContact CD1-CD1 4.17Å; F172-L219 HydrophobicContact CD1-CD2 3.69Å; F172-L219 HydrophobicContact CD1-CG 4.48Å; F172-L219 HydrophobicContact CD2-CD1 4.02Å; F172-L219 HydrophobicContact CE1-CD2 4.18Å; F172-L219 HydrophobicContact CE2-CD1 4.43Å; F172-L219 HydrophobicContact CG-CD1 3.87Å; F172-L219 HydrophobicContact CG-CD2 4.12Å; F172-I233 HydrophobicContact CE1-CD1 4.46Å; F172-I233 HydrophobicContact CE1-CG1 4.13Å; F172-I233 HydrophobicContact CE1-CG2 4.22Å; F172-I233 HydrophobicContact CZ-CG2 4.42Å
173V98.6Very high95.9Very high1 Ų124.5 Ų24.51%0.00615%0.151CC..EExtended strand (participates in β ladder)trans-127.3114.5-177-165.50000108.8A133 V139 L155 A159 L162 V171 I180 T181 L183A133-V173 HydrophobicContact CB-CG1 4.41Å; V139-V173 HydrophobicContact CG2-CB 4.5Å; V139-V173 HydrophobicContact CG2-CG1 3.99Å; V139-V173 HydrophobicContact CG2-CG2 3.78Å; L155-V173 HydrophobicContact CD1-CG1 3.75Å; A159-V173 HydrophobicContact CB-CG1 3.84Å; L162-V173 HydrophobicContact CD1-CG2 3.81Å; V171-V173 HydrophobicContact CG1-CG2 3.86Å; V173-I180 CarbonylContact O-C 3.53Å; V173-I180 VanDerWaalsContact O-CA 3.26Å; V173-I180 WeakPolarHBondContact O-CA 3.42Å; V173-T181 PolarHBondContact N-O 3.15Å; V173-T181 PolarHBondContact O-N 2.87Å; V173-L183 HydrophobicContact CG2-CD1 4.11Å
174G98.6Very high95.8Very high0 Ų022.7 Ų22.70%014%0.144CC..EExtended strand (participates in β ladder)trans-89.2137.417200000110M160 C161 R179M160-G174 PolarHBondContact N-O 3.28Å; C161-G174 PolarHBondContact N-O 3.01Å; C161-G174 PolarHBondContact O-N 2.59Å; C161-G174 VanDerWaalsContact O-N 3.12Å; G174-R179 WeakPolarHBondContact CA-O 3.03Å
175D98.6Very high95.6Very high2 Ų221.8 Ų21.81%0.01114%0.14CC..EExtended strand (participates in β ladder)trans-117.7169.6-177.678.623.7000114H157 S158 S177 G178 R179 V207H157-D175 HydrophobicContact CB-CB 4.25Å; S158-D175 WeakPolarHBondContact O-CA 3.44Å; S158-D175 WeakPolarHBondContact O-CB 3.34Å; D175-S177 PolarHBondContact O-N 3.16Å; D175-S177 WeakPolarHBondContact OD1-CA 3.3Å; D175-S177 WeakPolarHBondContact OD1-CB 3.11Å; D175-S177 PolarHBondContact OD1-N 2.78Å; D175-S177 PolarHBondContact OD1-OG 2.74Å; D175-S177 PolarHBondContact OD2-OG 3.37Å; D175-G178 PolarHBondContact O-N 3.34Å; D175-G178 VanDerWaalsContact O-N 3.16Å; D175-G178 PolarHBondContact OD1-N 3.13Å; D175-R179 PolarHBondContact N-O 3.36Å; D175-R179 WeakPolarHBondContact OD1-CB 3.19Å; D175-R179 PolarHBondContact OD1-N 2.96Å; D175-R179 WeakPolarHBondContact OD2-CB 2.99Å; D175-V207 PolarHBondContact O-N 3.2Å
176S98.5Very high95.4Very high49 Ų4924 Ų2434%0.34315%0.152SC..THydrogen-bonded Turntrans-64.7-12.9-179.752.80000115.1S158 S206S158-S176 PolarHBondContact N-OG 3.16Å; S158-S176 PolarHBondContact O-N 3.45Å; S158-S176 PolarHBondContact O-OG 2.96Å; S176-S206 WeakPolarHBondContact O-CA 3.39Å
177S98Very high95.1Very high46 Ų4624.5 Ų24.532%0.32215%0.149SC..THydrogen-bonded Turntrans-91.1-4.5176.376.30000113.6H157 D175H157-S177 WeakPolarHBondContact CD2-CB 3.17Å; H157-S177 PolarHBondContact CD2-OG 3.36Å; H157-S177 VanDerWaalsContact CD2-OG 3.28Å; D175-S177 PolarHBondContact O-N 3.16Å; D175-S177 WeakPolarHBondContact OD1-CA 3.3Å; D175-S177 WeakPolarHBondContact OD1-CB 3.11Å; D175-S177 PolarHBondContact OD1-N 2.78Å; D175-S177 PolarHBondContact OD1-OG 2.74Å; D175-S177 PolarHBondContact OD2-OG 3.37Å
178G97.8Very high94.8Very high3 Ų325 Ų253%0.03114%0.138CC..SBendtrans89.48.5-174.300000113.9D175 Q205D175-G178 PolarHBondContact O-N 3.34Å; D175-G178 VanDerWaalsContact O-N 3.16Å; D175-G178 PolarHBondContact OD1-N 3.13Å; G178-Q205 WeakPolarHBondContact CA-O 3.36Å
179R97.7Very high94.5Very high26 Ų2631 Ų3110%0.09817%0.167CC..EExtended strand (participates in β ladder)trans-91.8148.4178.9-173.4-173.2-166.8167.9-5.5110.3E156 G174 D175 E199 R201E156-R179 IonicContact OE2-CZ 3.58Å; E156-R179 IonicContact OE2-NH1 2.87Å; E156-R179 PolarHBondContact OE2-NH1 2.83Å; G174-R179 WeakPolarHBondContact CA-O 3.03Å; D175-R179 PolarHBondContact N-O 3.36Å; D175-R179 WeakPolarHBondContact OD1-CB 3.19Å; D175-R179 PolarHBondContact OD1-N 2.96Å; D175-R179 WeakPolarHBondContact OD2-CB 2.99Å; R179-E199 IonicContact CZ-OE1 3.25Å; R179-E199 IonicContact CZ-OE2 2.8Å; R179-E199 IonicContact NE-OE1 3.44Å; R179-E199 IonicContact NE-OE2 3.88Å; R179-E199 PolarHBondContact NE-OE2 2.83Å; R179-E199 IonicContact NH1-OE2 2.77Å; R179-E199 IonicContact NH2-OE1 3.63Å; R179-E199 PolarHBondContact NH2-OE1 2.9Å; R179-E199 IonicContact NH2-OE2 3.5Å; R179-E199 PolarHBondContact NH2-OE2 2.93Å; R179-R201 VanDerWaalsContact CZ-NH2 3.34Å
180I98.2Very high93.9Very high1 Ų131.6 Ų31.61%0.00518%0.184CC..EExtended strand (participates in β ladder)trans-120.4117.5172-52161.9000108.5F172 V173 E199 L200 V207 L210 L219 S221 W231F172-I180 HydrophobicContact CB-CG2 4.47Å; V173-I180 CarbonylContact O-C 3.53Å; V173-I180 VanDerWaalsContact O-CA 3.26Å; V173-I180 WeakPolarHBondContact O-CA 3.42Å; I180-E199 WeakPolarHBondContact O-CA 3.3Å; I180-L200 HydrophobicContact CB-CB 4.16Å; I180-L200 HydrophobicContact CB-CD1 4.38Å; I180-L200 HydrophobicContact CG2-CD1 4.43Å; I180-L200 PolarHBondContact N-O 3.17Å; I180-L200 PolarHBondContact O-N 2.83Å; I180-V207 HydrophobicContact CG1-CG1 4.42Å; I180-V207 HydrophobicContact CG1-CG2 3.98Å; I180-L210 HydrophobicContact CD1-CD2 3.94Å; I180-L210 HydrophobicContact CG1-CD2 4.27Å; I180-L210 HydrophobicContact CG2-CD1 4.25Å; I180-L210 HydrophobicContact CG2-CD2 4.32Å; I180-L219 HydrophobicContact CD1-CD2 4.46Å; I180-L219 HydrophobicContact CG2-CD2 3.98Å; I180-S221 VanDerWaalsContact CD1-CB 3.46Å; I180-W231 HydrophobicContact CD1-CZ2 3.91Å
181T97.9Very high93.4Very high5 Ų535.7 Ų35.73%0.03121%0.206CC..EExtended strand (participates in β ladder)trans-98.6125.4178.5-58.20000109.5L155 V173 L183 V196 E199L155-T181 HydrophobicContact CD2-CG2 4.39Å; V173-T181 PolarHBondContact N-O 3.15Å; V173-T181 PolarHBondContact O-N 2.87Å; T181-L183 HydrophobicContact CG2-CD2 3.73Å; T181-L183 HydrophobicContact CG2-CG 4.12Å; T181-V196 HydrophobicContact CG2-CG1 3.99Å; T181-V196 HydrophobicContact CG2-CG2 4.32Å; T181-E199 PolarHBondContact OG1-OE2 3Å
182L96.8Very high92.9Very high8 Ų838 Ų384%0.04222%0.22CC..EExtended strand (participates in β ladder)trans-96114.3172.7169.956.7000109.5Y170 F172 I197 R198 I233Y170-L182 HydrophobicContact CD2-CD1 3.76Å; Y170-L182 HydrophobicContact CD2-CD2 4.16Å; Y170-L182 HydrophobicContact CD2-CG 4.45Å; Y170-L182 HydrophobicContact CE2-CD2 4.42Å; Y170-L182 HydrophobicContact CG-CD1 3.67Å; F172-L182 HydrophobicContact CD1-CB 4.3Å; F172-L182 HydrophobicContact CD1-CD1 3.74Å; F172-L182 HydrophobicContact CD1-CG 4.47Å; F172-L182 HydrophobicContact CE1-CB 4.48Å; F172-L182 HydrophobicContact CE1-CD1 3.53Å; F172-L182 HydrophobicContact CE1-CD2 4.21Å; F172-L182 HydrophobicContact CE1-CG 4.26Å; F172-L182 HydrophobicContact CG-CD1 4.46Å; F172-L182 HydrophobicContact CZ-CD1 4.05Å; L182-I197 HydrophobicContact CD2-CB 4.06Å; L182-I197 HydrophobicContact CD2-CG2 4.07Å; L182-I197 HydrophobicContact CG-CB 3.96Å; L182-I197 HydrophobicContact CG-CG1 4.37Å; L182-I197 PolarHBondContact O-N 3.45Å; L182-R198 WeakPolarHBondContact CB-O 3.28Å; L182-R198 PolarHBondContact N-O 2.95Å; L182-I233 HydrophobicContact CD2-CG2 4.13Å
183L96.4Very high92.3Very high0 Ų042.6 Ų42.60%024%0.242CC..EExtended strand (participates in β ladder)trans-105.8131.4177.2-58.3176.9000110V139 H153 Y170 V171 V173 T181 R195 V196V139-L183 HydrophobicContact CB-CD1 4.41Å; V139-L183 HydrophobicContact CG1-CD1 4.5Å; V139-L183 HydrophobicContact CG2-CD1 4.4Å; H153-L183 HydrophobicContact CB-CD1 4.12Å; Y170-L183 CarbonylContact C-O 3.59Å; Y170-L183 WeakPolarHBondContact CA-O 3.4Å; V171-L183 HydrophobicContact CB-CB 4.38Å; V171-L183 PolarHBondContact N-O 3.18Å; V171-L183 PolarHBondContact O-N 3.33Å; V173-L183 HydrophobicContact CG2-CD1 4.11Å; T181-L183 HydrophobicContact CG2-CD2 3.73Å; T181-L183 HydrophobicContact CG2-CG 4.12Å; L183-R195 WeakPolarHBondContact CA-O 3.44Å; L183-V196 HydrophobicContact CD2-CB 4.34Å; L183-V196 HydrophobicContact CD2-CG2 3.67Å
184S94.5Very high91.9Very high11 Ų1144.3 Ų44.38%0.07725%0.254CS..EExtended strand (participates in β ladder)trans-91122.2164.4175.50000108.3C194 R195S184-C194 WeakPolarHBondContact O-CA 3.1Å; S184-R195 PolarHBondContact N-O 3.47Å; S184-R195 PolarHBondContact O-N 2.91Å; S184-R195 VanDerWaalsContact O-N 3.16Å
185I93.7Very high91.7Very high1 Ų151 Ų511%0.00528%0.28CS..EExtended strand (participates in β ladder)trans-114.3120.1173.959166.2000107.9M127 W129 V131 W141 H169 V171 M193M127-I185 HydrophobicContact CE-CD1 4.08Å; M127-I185 HydrophobicContact CE-CG1 4.35Å; W129-I185 HydrophobicContact CE3-CD1 4.17Å; W129-I185 HydrophobicContact CZ3-CB 4.17Å; W129-I185 HydrophobicContact CZ3-CD1 4.23Å; W129-I185 HydrophobicContact CZ3-CG1 4.38Å; V131-I185 HydrophobicContact CG2-CD1 3.73Å; W141-I185 HydrophobicContact CE3-CG2 4.46Å; W141-I185 HydrophobicContact CH2-CG2 3.88Å; W141-I185 HydrophobicContact CZ2-CB 4.42Å; W141-I185 HydrophobicContact CZ2-CG2 3.83Å; W141-I185 HydrophobicContact CZ3-CG2 4.17Å; H169-I185 WeakPolarHBondContact CB-O 3.35Å; H169-I185 WeakPolarHBondContact O-CG1 3.47Å; H169-I185 PolarHBondContact O-N 2.99Å; V171-I185 HydrophobicContact CG2-CD1 3.43Å; V171-I185 VanDerWaalsContact CG2-CD1 3.43Å; V171-I185 HydrophobicContact CG2-CG1 3.8Å; I185-M193 WeakPolarHBondContact CA-O 3.31Å
186N89.1Confident91.5Very high59 Ų5953.8 Ų53.832%0.31630%0.296SS..EExtended strand (participates in β ladder)trans-151.6163.4178.2-159-22.5000109.8M193N186-M193 PolarHBondContact N-O 3.47Å; N186-M193 PolarHBondContact O-N 3.48Å
187Q85Confident91.3Very high96 Ų9654.5 Ų54.545%0.44930%0.296SS..EExtended strand (participates in β ladder)trans-123.9112.8173.2179.9177.8-31.300109.8W129 Q191W129-Q187 HydrophobicContact CH2-CB 3.93Å; W129-Q187 HydrophobicContact CZ2-CB 3.72Å; Q187-Q191 CarbonylContact C-O 3.58Å; Q187-Q191 WeakPolarHBondContact CA-O 3.49Å
188V80.2Confident91.1Very high79 Ų7958.3 Ų58.348%0.47930%0.303SS..EExtended strand (participates in β ladder)trans-113123.2177.4-177.10000108.1G190 Q191V188-G190 PolarHBondContact O-N 2.81Å; V188-Q191 PolarHBondContact N-O 3.02Å; V188-Q191 PolarHBondContact O-N 2.91Å
189N82Confident90.9Very high163 Ų16361.6 Ų61.687%0.87232%0.318SS*.THydrogen-bonded Turntrans53.435.3-179.5-59.8-19.6000114.3Q191N189-Q191 PolarHBondContact O-N 3.16Å
190G80.2Confident90.8Very high54 Ų5460.8 Ų60.856%0.55732%0.315SS*.THydrogen-bonded Turntrans80.7-8.1-177.700000114.8V188V188-G190 PolarHBondContact O-N 2.81Å
191Q83.8Confident90.6Very high145 Ų14568.9 Ų68.968%0.67835%0.346SS*.EExtended strand (participates in β ladder)trans-90.6127.1173.2-71.4-175.5-1700110.5Q187 V188 N189Q187-Q191 CarbonylContact C-O 3.58Å; Q187-Q191 WeakPolarHBondContact CA-O 3.49Å; V188-Q191 PolarHBondContact N-O 3.02Å; V188-Q191 PolarHBondContact O-N 2.91Å; N189-Q191 PolarHBondContact O-N 3.16Å
192V86.2Confident90.3Very high48 Ų4870.9 Ų70.929%0.29137%0.367SS..EExtended strand (participates in β ladder)trans-80127176.6-1770000108.3W141 I150 C151W141-V192 HydrophobicContact CZ2-CG1 4.04Å; I150-V192 HydrophobicContact CG2-CB 4.08Å; I150-V192 HydrophobicContact CG2-CG1 3.74Å; I150-V192 HydrophobicContact CG2-CG2 3.25Å; C151-V192 HydrophobicContact CB-CG1 3.95Å
193M86.8Confident90.3Very high97 Ų9771.1 Ų71.148%0.47837%0.368SS..EExtended strand (participates in β ladder)trans-108.7123.5174.5-67.3-64-6600108.7I185 N186I185-M193 WeakPolarHBondContact CA-O 3.31Å; N186-M193 PolarHBondContact N-O 3.47Å; N186-M193 PolarHBondContact O-N 3.48Å
194C90.9Very high90.3Very high38 Ų3879.1 Ų79.126%0.25741%0.405SS..EExtended strand (participates in β ladder)trans-122.1125.9166-179.20000108.5W141 S184W141-C194 HydrophobicContact CH2-CB 3.61Å; W141-C194 VanDerWaalsContact CH2-SG 3.59Å; W141-C194 HydrophobicContact CZ2-CB 3.9Å; S184-C194 WeakPolarHBondContact O-CA 3.1Å
195R93.3Very high90.5Very high141 Ų14183.3 Ų83.353%0.53242%0.424SS..EExtended strand (participates in β ladder)trans-142.9141.1174.759.5176.7-179.2155.16.4111.2L183 S184 I197L183-R195 WeakPolarHBondContact CA-O 3.44Å; S184-R195 PolarHBondContact N-O 3.47Å; S184-R195 PolarHBondContact O-N 2.91Å; S184-R195 VanDerWaalsContact O-N 3.16Å; R195-I197 HydrophobicContact CG-CD1 3.72Å; R195-I197 VanDerWaalsContact CZ-CD1 3.49Å; R195-I197 VanDerWaalsContact NE-CD1 3.27Å; R195-I197 PolarHBondContact O-N 2.86Å
196V95.2Very high90.7Very high60 Ų6084.4 Ų84.436%0.36443%0.432SS..EExtended strand (participates in β ladder)trans-71.8120.7165.6-176.90000107.7T181 L183 E199T181-V196 HydrophobicContact CG2-CG1 3.99Å; T181-V196 HydrophobicContact CG2-CG2 4.32Å; L183-V196 HydrophobicContact CD2-CB 4.34Å; L183-V196 HydrophobicContact CD2-CG2 3.67Å; V196-E199 HydrophobicContact CG1-CG 3.73Å
197I93.6Very high91.1Very high64 Ų6481.6 Ų81.633%0.32842%0.417SS..EExtended strand (participates in β ladder)trans-89.2-49.4177.5-58.1-62.7000110Y170 L182 R195Y170-I197 HydrophobicContact CE1-CG1 4.47Å; L182-I197 HydrophobicContact CD2-CB 4.06Å; L182-I197 HydrophobicContact CD2-CG2 4.07Å; L182-I197 HydrophobicContact CG-CB 3.96Å; L182-I197 HydrophobicContact CG-CG1 4.37Å; L182-I197 PolarHBondContact O-N 3.45Å; R195-I197 HydrophobicContact CG-CD1 3.72Å; R195-I197 VanDerWaalsContact CZ-CD1 3.49Å; R195-I197 VanDerWaalsContact NE-CD1 3.27Å; R195-I197 PolarHBondContact O-N 2.86Å
198R93.3Very high91.8Very high125 Ų12577.8 Ų77.847%0.47240%0.401SS..EExtended strand (participates in β ladder)trans-157.2156.3-174.3-170.4171.3-176.5-170.2-0.3110L182 L200L182-R198 WeakPolarHBondContact CB-O 3.28Å; L182-R198 PolarHBondContact N-O 2.95Å; R198-L200 HydrophobicContact CG-CD2 4.09Å
199E94.5Very high92.6Very high73 Ų7376 Ų7634%0.34139%0.386SS..EExtended strand (participates in β ladder)trans-128.5127.3176.4-49.1-156.2-109.600108.2R179 I180 T181 V196R179-E199 IonicContact CZ-OE1 3.25Å; R179-E199 IonicContact CZ-OE2 2.8Å; R179-E199 IonicContact NE-OE1 3.44Å; R179-E199 IonicContact NE-OE2 3.88Å; R179-E199 PolarHBondContact NE-OE2 2.83Å; R179-E199 IonicContact NH1-OE2 2.77Å; R179-E199 IonicContact NH2-OE1 3.63Å; R179-E199 PolarHBondContact NH2-OE1 2.9Å; R179-E199 IonicContact NH2-OE2 3.5Å; R179-E199 PolarHBondContact NH2-OE2 2.93Å; I180-E199 WeakPolarHBondContact O-CA 3.3Å; T181-E199 PolarHBondContact OG1-OE2 3Å; V196-E199 HydrophobicContact CG1-CG 3.73Å
200L95Very high93.4Very high8 Ų868.2 Ų68.24%0.04235%0.345CS..EExtended strand (participates in β ladder)trans-102.8133.1-177.5-47.4172.7000108.3I180 R198 L219 W231 I233I180-L200 HydrophobicContact CB-CB 4.16Å; I180-L200 HydrophobicContact CB-CD1 4.38Å; I180-L200 HydrophobicContact CG2-CD1 4.43Å; I180-L200 PolarHBondContact N-O 3.17Å; I180-L200 PolarHBondContact O-N 2.83Å; R198-L200 HydrophobicContact CG-CD2 4.09Å; L200-L219 HydrophobicContact CD1-CD2 4.03Å; L200-W231 HydrophobicContact CB-CD2 4.27Å; L200-W231 HydrophobicContact CB-CE3 3.91Å; L200-W231 HydrophobicContact CB-CH2 4.02Å; L200-W231 HydrophobicContact CB-CZ2 4.36Å; L200-W231 HydrophobicContact CB-CZ3 3.8Å; L200-W231 HydrophobicContact CD1-CB 4.16Å; L200-W231 HydrophobicContact CD1-CD2 3.84Å; L200-W231 HydrophobicContact CD1-CE3 4.03Å; L200-W231 HydrophobicContact CD1-CG 3.91Å; L200-W231 HydrophobicContact CD2-CE3 4.27Å; L200-W231 HydrophobicContact CG-CE3 4.29Å; L200-I233 HydrophobicContact CD1-CD1 3.63Å; L200-I233 HydrophobicContact CD2-CD1 4.43Å
201R94.3Very high94.3Very high172 Ų17265.8 Ų65.865%0.64932%0.32SS*.EExtended strand (participates in β ladder)trans-128.5132.3-180-65.7-179.6179.2-101.50108R179R179-R201 VanDerWaalsContact CZ-NH2 3.34Å
202G90.8Very high94.8Very high47 Ų4760.3 Ų60.349%0.48529%0.293SS..  trans178.8-32.2179.800000113.1
203H97.1Very high95.1Very high13 Ų1358.2 Ų58.26%0.0628%0.28CS..  trans-74.1143.1171.4-75.1-60.1000111.6S221 S223 D225 S227H203-S221 PolarHBondContact CD2-OG 3.29Å; H203-S221 WeakPolarHBondContact NE2-CB 3.37Å; H203-S221 PolarHBondContact NE2-OG 3.19Å; H203-S223 VanDerWaalsContact CE1-CB 3.42Å; H203-S223 WeakPolarHBondContact CE1-CB 3.1Å; H203-S223 WeakPolarHBondContact ND1-CB 3.33Å; H203-D225 VanDerWaalsContact CA-OD2 3.23Å; H203-D225 WeakPolarHBondContact CA-OD2 3.47Å; H203-D225 WeakPolarHBondContact CB-OD2 3.49Å; H203-D225 IonicContact CE1-OD1 3.7Å; H203-D225 IonicContact CE1-OD2 2.59Å; H203-D225 IonicContact CG-OD2 3.94Å; H203-D225 IonicContact ND1-OD1 2.67Å; H203-D225 PolarHBondContact ND1-OD1 3.06Å; H203-D225 IonicContact ND1-OD2 3.98Å; H203-D225 PolarHBondContact ND1-OD2 2.59Å; H203-S227 PolarHBondContact CE1-OG 3.02Å; H203-S227 VanDerWaalsContact CE1-OG 3.22Å; H203-S227 PolarHBondContact ND1-OG 3.28Å
204E96.2Very high95.2Very high168 Ų16856.9 Ų56.979%0.78528%0.28SS*.SBendtrans-93.7-12178.5-63.1-173.9166.900112.5D225E204-D225 HydrophobicContact CB-CB 4.37Å; E204-D225 PolarHBondContact N-OD2 2.85Å
205Q98.2Very high94.9Very high98 Ų9859.9 Ų59.946%0.45829%0.293SS..SBendtrans-139.9175.1178.6-61.7-174.154.200110.6G178 V207 S223 A224 D225G178-Q205 WeakPolarHBondContact CA-O 3.36Å; Q205-V207 PolarHBondContact O-N 2.85Å; Q205-S223 PolarHBondContact O-OG 2.87Å; Q205-A224 HydrophobicContact CB-CB 3.94Å; Q205-D225 HydrophobicContact CB-CB 4.14Å; Q205-D225 HydrophobicContact CG-CB 4.22Å
206S98.5Very high94.5Very high25 Ų2556.6 Ų56.618%0.17529%0.286CS..  trans-41.3127.7-179.5-176.30000113.5M160 S176 S208 S223 A224M160-S206 WeakPolarHBondContact CG-OG 3.48Å; S176-S206 WeakPolarHBondContact O-CA 3.39Å; S206-S208 PolarHBondContact O-N 2.89Å; S206-S223 WeakPolarHBondContact O-CA 3.08Å; S206-S223 WeakPolarHBondContact O-CB 3.26Å; S206-S223 PolarHBondContact O-OG 3.05Å; S206-A224 PolarHBondContact O-N 2.93Å; S206-A224 VanDerWaalsContact O-N 3.13Å
207V98.8Very high94.3Very high0 Ų055.7 Ų55.70%028%0.282CS..EExtended strand (participates in β ladder)trans-69.7120.7168.3-170.20000107.8M160 D175 I180 Q205 L210 C222M160-V207 WeakPolarHBondContact CB-O 3.35Å; D175-V207 PolarHBondContact O-N 3.2Å; I180-V207 HydrophobicContact CG1-CG1 4.42Å; I180-V207 HydrophobicContact CG1-CG2 3.98Å; Q205-V207 PolarHBondContact O-N 2.85Å; V207-L210 HydrophobicContact CG1-CD2 4.07Å; V207-L210 HydrophobicContact CG1-CG 4.48Å; V207-C222 CarbonylContact C-O 3.52Å; V207-C222 WeakPolarHBondContact CA-O 3.28Å; V207-C222 WeakPolarHBondContact CG1-O 3.31Å
208S98.4Very high94.2Very high16 Ų1655.7 Ų55.711%0.11228%0.277CS..EExtended strand (participates in β ladder)trans-88.5-40.3-175.4-58.80000111.6S206 C222 A224 E249 V250S206-S208 PolarHBondContact O-N 2.89Å; S208-C222 PolarHBondContact N-O 3.22Å; S208-A224 PolarHBondContact OG-N 2.74Å; S208-E249 PolarHBondContact OG-OE1 2.88Å; S208-E249 VanDerWaalsContact OG-OE1 3.13Å; S208-V250 WeakPolarHBondContact CB-O 3.42Å
209F98.4Very high94.3Very high40 Ų4049.7 Ų49.718%0.17526%0.255CS..EExtended strand (participates in β ladder)trans-156.5162179.8-142-98.9000111.8C161 C222 I253 R390C161-F209 HydrophobicContact CB-CD2 4.41Å; F209-C222 WeakPolarHBondContact CB-SG 3.05Å; F209-C222 PolarHBondContact N-SG 3.46Å; F209-C222 VanDerWaalsContact N-SG 3.36Å; F209-C222 PolarHBondContact O-N 3.35Å; F209-I253 HydrophobicContact CB-CG2 4.27Å; F209-I253 HydrophobicContact CD1-CG2 4.33Å; F209-I253 WeakPolarHBondContact CD1-O 3.22Å; F209-R390 VanDerWaalsContact CZ-NH2 3.33Å
210L98.5Very high94.4Very high1 Ų146.2 Ų46.21%0.00524%0.239CC..EExtended strand (participates in β ladder)trans-125.4154.2176.7-67.5172.8000109.7E163 F172 I180 V207 L219 F220 S221E163-L210 HydrophobicContact CB-CB 4.02Å; E163-L210 HydrophobicContact CB-CD1 4.44Å; E163-L210 HydrophobicContact CG-CB 3.44Å; E163-L210 VanDerWaalsContact CG-CB 3.44Å; F172-L210 HydrophobicContact CB-CD1 3.75Å; I180-L210 HydrophobicContact CD1-CD2 3.94Å; I180-L210 HydrophobicContact CG1-CD2 4.27Å; I180-L210 HydrophobicContact CG2-CD1 4.25Å; I180-L210 HydrophobicContact CG2-CD2 4.32Å; V207-L210 HydrophobicContact CG1-CD2 4.07Å; V207-L210 HydrophobicContact CG1-CG 4.48Å; L210-L219 HydrophobicContact CB-CD1 4.37Å; L210-L219 HydrophobicContact CD2-CD1 4.33Å; L210-L219 HydrophobicContact CD2-CD2 4.27Å; L210-L219 HydrophobicContact CD2-CG 4.38Å; L210-F220 CarbonylContact C-O 3.57Å; L210-F220 VanDerWaalsContact CA-O 3.28Å; L210-F220 WeakPolarHBondContact CA-O 3.28Å; L210-S221 VanDerWaalsContact CD2-CB 3.5Å
211A97.5Very high94.6Very high3 Ų345.9 Ų45.93%0.02524%0.237CC..EExtended strand (participates in β ladder)trans-139.7140.716700000110F220 I253 W255 L274A211-F220 HydrophobicContact CB-CB 4.38Å; A211-F220 PolarHBondContact N-O 2.98Å; A211-F220 PolarHBondContact O-N 2.88Å; A211-I253 HydrophobicContact CB-CG2 3.85Å; A211-W255 HydrophobicContact CB-CB 4.22Å; A211-L274 HydrophobicContact CB-CD1 4.39Å
212W95.3Very high94.8Very high30 Ų3037.7 Ų37.711%0.11421%0.206CC..EExtended strand (participates in β ladder)trans-117.2131.3-174.5-179.2-120.3000112D165 F172 S214 S217 R218 L219 I233D165-W212 HydrophobicContact CB-CZ2 4.1Å; D165-W212 VanDerWaalsContact CB-NE1 3.3Å; D165-W212 PolarHBondContact OD1-NE1 2.77Å; F172-W212 HydrophobicContact CD2-CE3 4.46Å; F172-W212 HydrophobicContact CE1-CZ3 4.23Å; F172-W212 AromaticContact CE2-CD2 3.71Å; F172-W212 HydrophobicContact CE2-CD2 3.71Å; F172-W212 AromaticContact CE2-CE3 3.62Å; F172-W212 HydrophobicContact CE2-CE3 3.62Å; F172-W212 HydrophobicContact CE2-CG 4.28Å; F172-W212 HydrophobicContact CE2-CH2 4.19Å; F172-W212 HydrophobicContact CE2-CZ2 4.25Å; F172-W212 AromaticContact CE2-CZ3 3.9Å; F172-W212 HydrophobicContact CE2-CZ3 3.9Å; F172-W212 HydrophobicContact CZ-CD2 4.15Å; F172-W212 AromaticContact CZ-CE3 3.7Å; F172-W212 HydrophobicContact CZ-CE3 3.7Å; F172-W212 AromaticContact CZ-CH2 3.67Å; F172-W212 HydrophobicContact CZ-CH2 3.67Å; F172-W212 HydrophobicContact CZ-CZ2 4.09Å; F172-W212 AromaticContact CZ-CZ3 3.46Å; F172-W212 HydrophobicContact CZ-CZ3 3.46Å; F172-W212 VanDerWaalsContact CZ-CZ3 3.46Å; W212-S214 VanDerWaalsContact NE1-CA 3.32Å; W212-S217 VanDerWaalsContact CH2-C 3.44Å; W212-S217 VanDerWaalsContact CH2-CA 3.49Å; W212-R218 VanDerWaalsContact CE3-C 3.46Å; W212-R218 WeakPolarHBondContact CZ3-O 3.38Å; W212-L219 HydrophobicContact CE3-CB 3.81Å; W212-L219 HydrophobicContact CE3-CD1 3.95Å; W212-L219 HydrophobicContact CZ3-CB 3.85Å; W212-I233 HydrophobicContact CH2-CB 4.03Å; W212-I233 HydrophobicContact CH2-CG1 4.25Å; W212-I233 HydrophobicContact CH2-CG2 4.34Å; W212-I233 HydrophobicContact CZ3-CB 4.08Å; W212-I233 HydrophobicContact CZ3-CG1 3.77Å
213D92.2Very high95.2Very high3 Ų335.4 Ų35.42%0.01618%0.183CC..EExtended strand (participates in β ladder)trans-106.296.8166.8173.710.8000108.5I215 N216 S217 R218 F220 W255D213-I215 VanDerWaalsContact C-N 3.29Å; D213-I215 PolarHBondContact O-N 2.9Å; D213-I215 PolarHBondContact OD1-N 2.88Å; D213-N216 PolarHBondContact OD1-N 2.71Å; D213-N216 WeakPolarHBondContact OD2-CB 3.42Å; D213-N216 PolarHBondContact OD2-ND2 2.91Å; D213-S217 VanDerWaalsContact O-CA 3.32Å; D213-S217 WeakPolarHBondContact O-CA 3.11Å; D213-S217 PolarHBondContact O-N 3.17Å; D213-R218 HydrophobicContact CB-CB 4.11Å; D213-R218 PolarHBondContact N-O 3.12Å; D213-R218 PolarHBondContact O-N 2.81Å; D213-F220 HydrophobicContact CB-CE2 4.32Å; D213-W255 HydrophobicContact CB-CD2 4.04Å; D213-W255 HydrophobicContact CB-CG 4.06Å; D213-W255 HydrophobicContact CB-CZ2 4.23Å; D213-W255 VanDerWaalsContact CG-NE1 3.35Å; D213-W255 WeakPolarHBondContact OD2-CZ2 3.34Å
214S88.1Confident95.2Very high70 Ų7035.5 Ų35.549%0.4919%0.186SC..THydrogen-bonded Turntrans-66.8-29.2-177.858.90000113.2W212W212-S214 VanDerWaalsContact NE1-CA 3.32Å
215I85.1Confident95.3Very high101 Ų10128.8 Ų28.852%0.51816%0.155SC..THydrogen-bonded Turntrans-69-45.2-176.6-62.6174.3000110.3D213D213-I215 VanDerWaalsContact C-N 3.29Å; D213-I215 PolarHBondContact O-N 2.9Å; D213-I215 PolarHBondContact OD1-N 2.88Å
216N85.3Confident95.3Very high72 Ų7228 Ų2839%0.38515%0.152SC..THydrogen-bonded Turntrans-101.83.5-178.6-54.8-74.8000113.4D213 R218D213-N216 PolarHBondContact OD1-N 2.71Å; D213-N216 WeakPolarHBondContact OD2-CB 3.42Å; D213-N216 PolarHBondContact OD2-ND2 2.91Å; N216-R218 HydrophobicContact CB-CG 3.91Å; N216-R218 VanDerWaalsContact CB-NE 3.33Å; N216-R218 PolarHBondContact O-N 2.77Å
217S90.5Very high95.2Very high40 Ų4027 Ų2728%0.2814%0.144SC..THydrogen-bonded Turntrans55.547.1-177.5-56.60000113.4W212 D213 I233 G234W212-S217 VanDerWaalsContact CH2-C 3.44Å; W212-S217 VanDerWaalsContact CH2-CA 3.49Å; D213-S217 VanDerWaalsContact O-CA 3.32Å; D213-S217 WeakPolarHBondContact O-CA 3.11Å; D213-S217 PolarHBondContact O-N 3.17Å; S217-I233 PolarHBondContact O-N 3.2Å; S217-I233 VanDerWaalsContact O-N 3.16Å; S217-G234 PolarHBondContact O-N 2.92Å
218R91.7Very high95.1Very high64 Ų6427 Ų2724%0.24214%0.144CC..EExtended strand (participates in β ladder)trans-113129.4-177.8-58.6161.6175.8-178.81.2110W212 D213 N216 F220 F230W212-R218 VanDerWaalsContact CE3-C 3.46Å; W212-R218 WeakPolarHBondContact CZ3-O 3.38Å; D213-R218 HydrophobicContact CB-CB 4.11Å; D213-R218 PolarHBondContact N-O 3.12Å; D213-R218 PolarHBondContact O-N 2.81Å; N216-R218 HydrophobicContact CB-CG 3.91Å; N216-R218 VanDerWaalsContact CB-NE 3.33Å; N216-R218 PolarHBondContact O-N 2.77Å; R218-F220 HydrophobicContact CB-CE2 4.2Å; R218-F220 HydrophobicContact CB-CZ 4.39Å; R218-F230 HydrophobicContact CB-CD2 4.43Å; R218-F230 HydrophobicContact CB-CE2 3.66Å; R218-F230 HydrophobicContact CB-CZ 4.34Å; R218-F230 HydrophobicContact CG-CE2 3.53Å; R218-F230 HydrophobicContact CG-CZ 3.87Å
219L95.7Very high95.1Very high0 Ų026.9 Ų26.90%014%0.142CC..EExtended strand (participates in β ladder)trans-103.3142.9171.9-176.373.7000109.2F172 I180 L200 L210 W212 W231 I233F172-L219 HydrophobicContact CB-CD1 4.2Å; F172-L219 HydrophobicContact CB-CD2 4.37Å; F172-L219 HydrophobicContact CD1-CD1 4.17Å; F172-L219 HydrophobicContact CD1-CD2 3.69Å; F172-L219 HydrophobicContact CD1-CG 4.48Å; F172-L219 HydrophobicContact CD2-CD1 4.02Å; F172-L219 HydrophobicContact CE1-CD2 4.18Å; F172-L219 HydrophobicContact CE2-CD1 4.43Å; F172-L219 HydrophobicContact CG-CD1 3.87Å; F172-L219 HydrophobicContact CG-CD2 4.12Å; I180-L219 HydrophobicContact CD1-CD2 4.46Å; I180-L219 HydrophobicContact CG2-CD2 3.98Å; L200-L219 HydrophobicContact CD1-CD2 4.03Å; L210-L219 HydrophobicContact CB-CD1 4.37Å; L210-L219 HydrophobicContact CD2-CD1 4.33Å; L210-L219 HydrophobicContact CD2-CD2 4.27Å; L210-L219 HydrophobicContact CD2-CG 4.38Å; W212-L219 HydrophobicContact CE3-CB 3.81Å; W212-L219 HydrophobicContact CE3-CD1 3.95Å; W212-L219 HydrophobicContact CZ3-CB 3.85Å; L219-W231 HydrophobicContact CB-CB 4.17Å; L219-W231 PolarHBondContact N-O 2.98Å; L219-W231 PolarHBondContact O-N 2.75Å; L219-I233 HydrophobicContact CB-CD1 4.25Å; L219-I233 HydrophobicContact CB-CG1 3.83Å
220F97.4Very high94.9Very high0 Ų025.6 Ų25.60%014%0.136CC..EExtended strand (participates in β ladder)trans-121.1139.9169.9-55.8-89000109.2L210 A211 D213 R218 I229 F230 I253 W255 L274 M288L210-F220 CarbonylContact C-O 3.57Å; L210-F220 VanDerWaalsContact CA-O 3.28Å; L210-F220 WeakPolarHBondContact CA-O 3.28Å; A211-F220 HydrophobicContact CB-CB 4.38Å; A211-F220 PolarHBondContact N-O 2.98Å; A211-F220 PolarHBondContact O-N 2.88Å; D213-F220 HydrophobicContact CB-CE2 4.32Å; R218-F220 HydrophobicContact CB-CE2 4.2Å; R218-F220 HydrophobicContact CB-CZ 4.39Å; F220-I229 CarbonylContact C-O 3.56Å; F220-I229 WeakPolarHBondContact CA-O 3.24Å; F220-F230 HydrophobicContact CD1-CB 4.32Å; F220-F230 HydrophobicContact CD1-CD2 4.06Å; F220-F230 HydrophobicContact CE1-CB 4.37Å; F220-F230 AromaticContact CE1-CD2 3.51Å; F220-F230 HydrophobicContact CE1-CD2 3.51Å; F220-F230 HydrophobicContact CE1-CE2 4.33Å; F220-F230 HydrophobicContact CE1-CG 4.43Å; F220-F230 AromaticContact CZ-CD2 3.98Å; F220-F230 HydrophobicContact CZ-CD2 3.98Å; F220-F230 HydrophobicContact CZ-CE2 4.37Å; F220-I253 HydrophobicContact CB-CD1 4.08Å; F220-W255 HydrophobicContact CD2-CE3 4.36Å; F220-W255 HydrophobicContact CE2-CD2 4.08Å; F220-W255 AromaticContact CE2-CE3 3.54Å; F220-W255 HydrophobicContact CE2-CE3 3.54Å; F220-W255 AromaticContact CE2-CZ3 3.91Å; F220-W255 HydrophobicContact CE2-CZ3 3.91Å; F220-W255 AromaticContact CZ-CE3 3.83Å; F220-W255 HydrophobicContact CZ-CE3 3.83Å; F220-W255 HydrophobicContact CZ-CH2 4.46Å; F220-W255 AromaticContact CZ-CZ3 3.71Å; F220-W255 HydrophobicContact CZ-CZ3 3.71Å; F220-L274 HydrophobicContact CB-CD1 3.68Å; F220-L274 HydrophobicContact CB-CD2 4.15Å; F220-L274 HydrophobicContact CD1-CD1 3.81Å; F220-L274 HydrophobicContact CD1-CD2 3.27Å; F220-L274 HydrophobicContact CD1-CG 4.06Å; F220-L274 HydrophobicContact CD2-CD1 3.69Å; F220-L274 HydrophobicContact CE1-CB 4.36Å; F220-L274 HydrophobicContact CE1-CD1 4.27Å; F220-L274 HydrophobicContact CE1-CD2 3.69Å; F220-L274 HydrophobicContact CE1-CG 4.34Å; F220-L274 HydrophobicContact CE2-CD1 4.22Å; F220-L274 HydrophobicContact CG-CD1 3.45Å; F220-L274 VanDerWaalsContact CG-CD1 3.45Å; F220-L274 HydrophobicContact CG-CD2 3.82Å; F220-L274 HydrophobicContact CG-CG 4.21Å; F220-L274 HydrophobicContact CZ-CD1 4.47Å; F220-M288 HydrophobicContact CE1-CE 3.66Å; F220-M288 HydrophobicContact CE1-CG 4.02Å; F220-M288 HydrophobicContact CE1-SD 4.05Å; F220-M288 HydrophobicContact CZ-CE 4.25Å; F220-M288 HydrophobicContact CZ-CG 4.06Å
221S98.6Very high94.7Very high0 Ų026.2 Ų26.20%014%0.139CC..EExtended strand (participates in β ladder)trans-128.2145.417560.40000110.7I180 H203 L210 V228 I229 W231I180-S221 VanDerWaalsContact CD1-CB 3.46Å; H203-S221 PolarHBondContact CD2-OG 3.29Å; H203-S221 WeakPolarHBondContact NE2-CB 3.37Å; H203-S221 PolarHBondContact NE2-OG 3.19Å; L210-S221 VanDerWaalsContact CD2-CB 3.5Å; S221-V228 CarbonylContact O-C 3.52Å; S221-V228 WeakPolarHBondContact O-CA 3.4Å; S221-V228 WeakPolarHBondContact O-CG1 3.39Å; S221-I229 PolarHBondContact N-O 3.05Å; S221-I229 PolarHBondContact O-N 3.08Å; S221-W231 PolarHBondContact OG-NE1 3.03Å
222C98.6Very high94.4Very high0 Ų027.1 Ų27.10%014%0.143CC..EExtended strand (participates in β ladder)trans-122.9156.3171.368.40000110.9V207 S208 F209 V228 V250 I253V207-C222 CarbonylContact C-O 3.52Å; V207-C222 WeakPolarHBondContact CA-O 3.28Å; V207-C222 WeakPolarHBondContact CG1-O 3.31Å; S208-C222 PolarHBondContact N-O 3.22Å; F209-C222 WeakPolarHBondContact CB-SG 3.05Å; F209-C222 PolarHBondContact N-SG 3.46Å; F209-C222 VanDerWaalsContact N-SG 3.36Å; F209-C222 PolarHBondContact O-N 3.35Å; C222-V228 HydrophobicContact CB-CG2 3.94Å; C222-V250 HydrophobicContact CB-CB 3.8Å; C222-V250 HydrophobicContact CB-CG1 3.52Å; C222-V250 PolarHBondContact SG-O 2.87Å; C222-I253 HydrophobicContact CB-CB 4.19Å; C222-I253 HydrophobicContact CB-CD1 4.34Å; C222-I253 HydrophobicContact CB-CG2 4.39Å
223S98.6Very high94.1Very high0 Ų027.4 Ų27.40%015%0.146CC..EExtended strand (participates in β ladder)trans-147.1162.6-170.6171.30000114.3H203 Q205 S206 D225 H226 S227 V250H203-S223 VanDerWaalsContact CE1-CB 3.42Å; H203-S223 WeakPolarHBondContact CE1-CB 3.1Å; H203-S223 WeakPolarHBondContact ND1-CB 3.33Å; Q205-S223 PolarHBondContact O-OG 2.87Å; S206-S223 WeakPolarHBondContact O-CA 3.08Å; S206-S223 WeakPolarHBondContact O-CB 3.26Å; S206-S223 PolarHBondContact O-OG 3.05Å; S223-D225 VanDerWaalsContact CB-OD1 3.3Å; S223-D225 WeakPolarHBondContact CB-OD1 3.16Å; S223-D225 PolarHBondContact O-N 3.31Å; S223-D225 PolarHBondContact OG-N 3.37Å; S223-D225 PolarHBondContact OG-OD1 3.28Å; S223-D225 PolarHBondContact OG-OD2 2.67Å; S223-H226 PolarHBondContact O-N 3.29Å; S223-S227 PolarHBondContact N-O 3.25Å; S223-V250 PolarHBondContact O-N 2.63Å; S223-V250 VanDerWaalsContact O-N 3.09Å
224A98.5Very high93.3Very high15 Ų1530 Ų3012%0.12417%0.174CC..THydrogen-bonded Turntrans-61.1-13.7165.700000114Q205 S206 S208 H226 E249Q205-A224 HydrophobicContact CB-CB 3.94Å; S206-A224 PolarHBondContact O-N 2.93Å; S206-A224 VanDerWaalsContact O-N 3.13Å; S208-A224 PolarHBondContact OG-N 2.74Å; A224-H226 PolarHBondContact O-CD2 2.9Å; A224-H226 PolarHBondContact O-N 3.2Å; A224-E249 HydrophobicContact CB-CB 4.49Å; A224-E249 HydrophobicContact CB-CG 4.21Å
225D97.6Very high92.1Very high27 Ų2728.1 Ų28.114%0.14417%0.166CC..THydrogen-bonded Turntrans-76.94.6172.167.920.2000114.6H203 E204 Q205 S223 S227H203-D225 VanDerWaalsContact CA-OD2 3.23Å; H203-D225 WeakPolarHBondContact CA-OD2 3.47Å; H203-D225 WeakPolarHBondContact CB-OD2 3.49Å; H203-D225 IonicContact CE1-OD1 3.7Å; H203-D225 IonicContact CE1-OD2 2.59Å; H203-D225 IonicContact CG-OD2 3.94Å; H203-D225 IonicContact ND1-OD1 2.67Å; H203-D225 PolarHBondContact ND1-OD1 3.06Å; H203-D225 IonicContact ND1-OD2 3.98Å; H203-D225 PolarHBondContact ND1-OD2 2.59Å; E204-D225 HydrophobicContact CB-CB 4.37Å; E204-D225 PolarHBondContact N-OD2 2.85Å; Q205-D225 HydrophobicContact CB-CB 4.14Å; Q205-D225 HydrophobicContact CG-CB 4.22Å; S223-D225 VanDerWaalsContact CB-OD1 3.3Å; S223-D225 WeakPolarHBondContact CB-OD1 3.16Å; S223-D225 PolarHBondContact O-N 3.31Å; S223-D225 PolarHBondContact OG-N 3.37Å; S223-D225 PolarHBondContact OG-OD1 3.28Å; S223-D225 PolarHBondContact OG-OD2 2.67Å; D225-S227 VanDerWaalsContact C-N 3.25Å; D225-S227 VanDerWaalsContact CG-OG 3.31Å; D225-S227 PolarHBondContact O-N 2.92Å; D225-S227 VanDerWaalsContact OD1-CB 3.27Å; D225-S227 WeakPolarHBondContact OD1-CB 3.5Å; D225-S227 PolarHBondContact OD1-N 2.81Å; D225-S227 PolarHBondContact OD1-OG 2.83Å; D225-S227 PolarHBondContact OD2-OG 3.13Å
226H97.5Very high90.7Very high82 Ų8228.9 Ų28.938%0.3819%0.187SC..SBendtrans75.35.8178.8-38.3157.9000114.8S223 A224 K248 E249S223-H226 PolarHBondContact O-N 3.29Å; A224-H226 PolarHBondContact O-CD2 2.9Å; A224-H226 PolarHBondContact O-N 3.2Å; H226-K248 WeakPolarHBondContact CA-O 3.37Å; H226-K248 WeakPolarHBondContact CB-O 3.35Å; H226-E249 PolarHBondContact CD2-N 2.83Å
227S96.5Very high89.8Confident2 Ų234.1 Ų34.11%0.01421%0.207CC..EExtended strand (participates in β ladder)trans-105.2159.6-178.977.60000112.4H203 S223 D225 E242H203-S227 PolarHBondContact CE1-OG 3.02Å; H203-S227 VanDerWaalsContact CE1-OG 3.22Å; H203-S227 PolarHBondContact ND1-OG 3.28Å; S223-S227 PolarHBondContact N-O 3.25Å; D225-S227 VanDerWaalsContact C-N 3.25Å; D225-S227 VanDerWaalsContact CG-OG 3.31Å; D225-S227 PolarHBondContact O-N 2.92Å; D225-S227 VanDerWaalsContact OD1-CB 3.27Å; D225-S227 WeakPolarHBondContact OD1-CB 3.5Å; D225-S227 PolarHBondContact OD1-N 2.81Å; D225-S227 PolarHBondContact OD1-OG 2.83Å; D225-S227 PolarHBondContact OD2-OG 3.13Å; S227-E242 WeakPolarHBondContact CB-OE1 3.43Å
228V98.1Very high88.9Confident1 Ų133.8 Ų33.81%0.00621%0.21CC..EExtended strand (participates in β ladder)trans-114138.9160.4169.40000107.3S221 C222 E242 L243 V250 I253 L274S221-V228 CarbonylContact O-C 3.52Å; S221-V228 WeakPolarHBondContact O-CA 3.4Å; S221-V228 WeakPolarHBondContact O-CG1 3.39Å; C222-V228 HydrophobicContact CB-CG2 3.94Å; V228-E242 CarbonylContact O-C 3.53Å; V228-E242 WeakPolarHBondContact O-CA 2.87Å; V228-L243 HydrophobicContact CB-CB 4.02Å; V228-L243 HydrophobicContact CG1-CB 4.31Å; V228-L243 HydrophobicContact CG1-CD1 4.04Å; V228-L243 PolarHBondContact N-O 2.8Å; V228-L243 VanDerWaalsContact N-O 3.13Å; V228-L243 PolarHBondContact O-N 2.84Å; V228-V250 HydrophobicContact CG2-CG1 3.9Å; V228-V250 HydrophobicContact CG2-CG2 4.42Å; V228-I253 HydrophobicContact CB-CD1 4.28Å; V228-I253 HydrophobicContact CG1-CD1 3.41Å; V228-I253 VanDerWaalsContact CG1-CD1 3.41Å; V228-I253 HydrophobicContact CG2-CD1 3.84Å; V228-L274 HydrophobicContact CG1-CD2 3.75Å
229I96.7Very high88.5Confident13 Ų1332.1 Ų32.17%0.06721%0.208CC..EExtended strand (participates in β ladder)trans-118.1134.1174.8-58.9174.3000109.7F220 S221 W231 E242F220-I229 CarbonylContact C-O 3.56Å; F220-I229 WeakPolarHBondContact CA-O 3.24Å; S221-I229 PolarHBondContact N-O 3.05Å; S221-I229 PolarHBondContact O-N 3.08Å; I229-W231 HydrophobicContact CB-CZ2 3.83Å; I229-W231 HydrophobicContact CD1-CH2 4.29Å; I229-W231 HydrophobicContact CD1-CZ2 3.91Å; I229-W231 HydrophobicContact CG1-CZ2 4.48Å; I229-W231 HydrophobicContact CG2-CD2 3.84Å; I229-W231 HydrophobicContact CG2-CE3 4.28Å; I229-W231 HydrophobicContact CG2-CG 4.42Å; I229-W231 HydrophobicContact CG2-CH2 3.91Å; I229-W231 HydrophobicContact CG2-CZ2 3.41Å; I229-W231 VanDerWaalsContact CG2-CZ2 3.41Å; I229-W231 HydrophobicContact CG2-CZ3 4.3Å; I229-E242 HydrophobicContact CG1-CG 4.42Å
230F94.8Very high88.2Confident13 Ų1333.8 Ų33.86%0.05722%0.219CC..EExtended strand (participates in β ladder)trans-89.7138167.3166.9-90.9000110.1R218 F220 D232 S240 F241 M288R218-F230 HydrophobicContact CB-CD2 4.43Å; R218-F230 HydrophobicContact CB-CE2 3.66Å; R218-F230 HydrophobicContact CB-CZ 4.34Å; R218-F230 HydrophobicContact CG-CE2 3.53Å; R218-F230 HydrophobicContact CG-CZ 3.87Å; F220-F230 HydrophobicContact CD1-CB 4.32Å; F220-F230 HydrophobicContact CD1-CD2 4.06Å; F220-F230 HydrophobicContact CE1-CB 4.37Å; F220-F230 AromaticContact CE1-CD2 3.51Å; F220-F230 HydrophobicContact CE1-CD2 3.51Å; F220-F230 HydrophobicContact CE1-CE2 4.33Å; F220-F230 HydrophobicContact CE1-CG 4.43Å; F220-F230 AromaticContact CZ-CD2 3.98Å; F220-F230 HydrophobicContact CZ-CD2 3.98Å; F220-F230 HydrophobicContact CZ-CE2 4.37Å; F230-D232 HydrophobicContact CE1-CB 4.03Å; F230-D232 HydrophobicContact CZ-CB 4.26Å; F230-S240 WeakPolarHBondContact O-CA 3.26Å; F230-S240 WeakPolarHBondContact O-CB 3.45Å; F230-F241 HydrophobicContact CB-CD1 4.46Å; F230-F241 HydrophobicContact CB-CD2 3.89Å; F230-F241 HydrophobicContact CB-CE1 4.19Å; F230-F241 HydrophobicContact CB-CE2 3.53Å; F230-F241 HydrophobicContact CB-CG 4.32Å; F230-F241 HydrophobicContact CB-CZ 3.71Å; F230-F241 AromaticContact CD1-CD1 3.6Å; F230-F241 HydrophobicContact CD1-CD1 3.6Å; F230-F241 HydrophobicContact CD1-CD2 4.5Å; F230-F241 AromaticContact CD1-CE1 3.13Å; F230-F241 HydrophobicContact CD1-CE1 3.13Å; F230-F241 HydrophobicContact CD1-CE2 4.1Å; F230-F241 HydrophobicContact CD1-CG 4.26Å; F230-F241 AromaticContact CD1-CZ 3.41Å; F230-F241 HydrophobicContact CD1-CZ 3.41Å; F230-F241 VanDerWaalsContact CD1-CZ 3.41Å; F230-F241 HydrophobicContact CD2-CZ 4.05Å; F230-F241 HydrophobicContact CE1-CD1 4.24Å; F230-F241 AromaticContact CE1-CE1 3.54Å; F230-F241 HydrophobicContact CE1-CE1 3.54Å; F230-F241 HydrophobicContact CE1-CZ 4.01Å; F230-F241 HydrophobicContact CG-CD1 4.3Å; F230-F241 HydrophobicContact CG-CD2 4.44Å; F230-F241 AromaticContact CG-CE1 3.71Å; F230-F241 HydrophobicContact CG-CE1 3.71Å; F230-F241 AromaticContact CG-CE2 3.83Å; F230-F241 HydrophobicContact CG-CE2 3.83Å; F230-F241 AromaticContact CG-CZ 3.43Å; F230-F241 HydrophobicContact CG-CZ 3.43Å; F230-F241 VanDerWaalsContact CG-CZ 3.43Å; F230-F241 HydrophobicContact CZ-CE1 4.38Å; F230-F241 PolarHBondContact N-O 2.89Å; F230-F241 PolarHBondContact O-N 3.36Å; F230-F241 VanDerWaalsContact O-N 3.16Å; F230-M288 HydrophobicContact CD2-CE 3.87Å; F230-M288 HydrophobicContact CE2-CE 4.42Å; F230-M288 HydrophobicContact CG-CE 4.36Å
231W94.2Very high87.8Confident15 Ų1534.8 Ų34.86%0.05722%0.224CC..EExtended strand (participates in β ladder)trans-130.1123.6176.1-44.887.3000110.8I180 L200 L219 S221 I229 I233I180-W231 HydrophobicContact CD1-CZ2 3.91Å; L200-W231 HydrophobicContact CB-CD2 4.27Å; L200-W231 HydrophobicContact CB-CE3 3.91Å; L200-W231 HydrophobicContact CB-CH2 4.02Å; L200-W231 HydrophobicContact CB-CZ2 4.36Å; L200-W231 HydrophobicContact CB-CZ3 3.8Å; L200-W231 HydrophobicContact CD1-CB 4.16Å; L200-W231 HydrophobicContact CD1-CD2 3.84Å; L200-W231 HydrophobicContact CD1-CE3 4.03Å; L200-W231 HydrophobicContact CD1-CG 3.91Å; L200-W231 HydrophobicContact CD2-CE3 4.27Å; L200-W231 HydrophobicContact CG-CE3 4.29Å; L219-W231 HydrophobicContact CB-CB 4.17Å; L219-W231 PolarHBondContact N-O 2.98Å; L219-W231 PolarHBondContact O-N 2.75Å; S221-W231 PolarHBondContact OG-NE1 3.03Å; I229-W231 HydrophobicContact CB-CZ2 3.83Å; I229-W231 HydrophobicContact CD1-CH2 4.29Å; I229-W231 HydrophobicContact CD1-CZ2 3.91Å; I229-W231 HydrophobicContact CG1-CZ2 4.48Å; I229-W231 HydrophobicContact CG2-CD2 3.84Å; I229-W231 HydrophobicContact CG2-CE3 4.28Å; I229-W231 HydrophobicContact CG2-CG 4.42Å; I229-W231 HydrophobicContact CG2-CH2 3.91Å; I229-W231 HydrophobicContact CG2-CZ2 3.41Å; I229-W231 VanDerWaalsContact CG2-CZ2 3.41Å; I229-W231 HydrophobicContact CG2-CZ3 4.3Å; W231-I233 HydrophobicContact CB-CD1 3.86Å; W231-I233 HydrophobicContact CB-CG1 4.49Å; W231-I233 PolarHBondContact O-N 3.12Å
232D90.9Very high87.5Confident21 Ų2136.7 Ų36.711%0.11223%0.233CC..EExtended strand (participates in β ladder)trans-83105.8167.9-173.715.9000109.9F230 G235 G238 S239F230-D232 HydrophobicContact CE1-CB 4.03Å; F230-D232 HydrophobicContact CZ-CB 4.26Å; D232-G235 WeakPolarHBondContact OD1-CA 3.48Å; D232-G235 PolarHBondContact OD1-N 2.8Å; D232-G235 VanDerWaalsContact OD2-CA 3.31Å; D232-G235 WeakPolarHBondContact OD2-CA 3.36Å; D232-G238 PolarHBondContact OD2-N 3.36Å; D232-S239 WeakPolarHBondContact CB-O 3.3Å; D232-S239 PolarHBondContact N-O 3.08Å
233I89Confident87.3Confident36 Ų3636.7 Ų36.719%0.18523%0.233CC..SBendtrans-91.5-42.5-175.2-56.9-56.6000111.6F172 L182 L200 W212 S217 L219 W231F172-I233 HydrophobicContact CE1-CD1 4.46Å; F172-I233 HydrophobicContact CE1-CG1 4.13Å; F172-I233 HydrophobicContact CE1-CG2 4.22Å; F172-I233 HydrophobicContact CZ-CG2 4.42Å; L182-I233 HydrophobicContact CD2-CG2 4.13Å; L200-I233 HydrophobicContact CD1-CD1 3.63Å; L200-I233 HydrophobicContact CD2-CD1 4.43Å; W212-I233 HydrophobicContact CH2-CB 4.03Å; W212-I233 HydrophobicContact CH2-CG1 4.25Å; W212-I233 HydrophobicContact CH2-CG2 4.34Å; W212-I233 HydrophobicContact CZ3-CB 4.08Å; W212-I233 HydrophobicContact CZ3-CG1 3.77Å; S217-I233 PolarHBondContact O-N 3.2Å; S217-I233 VanDerWaalsContact O-N 3.16Å; L219-I233 HydrophobicContact CB-CD1 4.25Å; L219-I233 HydrophobicContact CB-CG1 3.83Å; W231-I233 HydrophobicContact CB-CD1 3.86Å; W231-I233 HydrophobicContact CB-CG1 4.49Å; W231-I233 PolarHBondContact O-N 3.12Å
234G76.4Confident87.1Confident57 Ų5739.3 Ų39.359%0.58825%0.245SC*.SBendtrans-109-11.1-176.400000114.7S217S217-G234 PolarHBondContact O-N 2.92Å
235G62.9Low86.8Confident32 Ų3239 Ų3933%0.3324%0.244SC..SBendtrans-76.6157-179.300000113.2D232 K237D232-G235 WeakPolarHBondContact OD1-CA 3.48Å; D232-G235 PolarHBondContact OD1-N 2.8Å; D232-G235 VanDerWaalsContact OD2-CA 3.31Å; D232-G235 WeakPolarHBondContact OD2-CA 3.36Å; G235-K237 PolarHBondContact O-N 2.58Å; G235-K237 VanDerWaalsContact O-N 3.07Å
236A56Low86.8Confident117 Ų11738.3 Ų38.397%0.96724%0.239SC*.THydrogen-bonded Turntrans-63.9-15.1-174.900000114.4
237K64.6Low86.7Confident182 Ų18237.5 Ų37.579%0.79124%0.243SC*.THydrogen-bonded Turntrans-96.6-30.7-174.2-66.1-171.5-179.4-178.70113.1G235 S239G235-K237 PolarHBondContact O-N 2.58Å; G235-K237 VanDerWaalsContact O-N 3.07Å; K237-S239 PolarHBondContact O-N 3.2Å
238G73.4Confident86.8Confident33 Ų3342.8 Ų42.834%0.3427%0.266SS..  trans59.525.2-175.700000113.5D232D232-G238 PolarHBondContact OD2-N 3.36Å
239S83Confident86.8Confident29 Ų2945.9 Ų45.920%0.20328%0.28CS..  trans-72.6149.2-176.9530000111.8D232 K237D232-S239 WeakPolarHBondContact CB-O 3.3Å; D232-S239 PolarHBondContact N-O 3.08Å; K237-S239 PolarHBondContact O-N 3.2Å
240S88.9Confident86.9Confident35 Ų3545.3 Ų45.325%0.24528%0.277CS..EExtended strand (participates in β ladder)trans-124.8150.2169.651.60000110.3F230 E294F230-S240 WeakPolarHBondContact O-CA 3.26Å; F230-S240 WeakPolarHBondContact O-CB 3.45Å; S240-E294 WeakPolarHBondContact O-CB 3.31Å; S240-E294 WeakPolarHBondContact O-CG 3.26Å; S240-E294 PolarHBondContact OG-OE1 2.87Å
241F89.2Confident87Confident20 Ų2045.4 Ų45.49%0.08828%0.279CS..EExtended strand (participates in β ladder)trans-152.8150.7167.353.5-99.4000111.6F230 L243 M288 R292F230-F241 HydrophobicContact CB-CD1 4.46Å; F230-F241 HydrophobicContact CB-CD2 3.89Å; F230-F241 HydrophobicContact CB-CE1 4.19Å; F230-F241 HydrophobicContact CB-CE2 3.53Å; F230-F241 HydrophobicContact CB-CG 4.32Å; F230-F241 HydrophobicContact CB-CZ 3.71Å; F230-F241 AromaticContact CD1-CD1 3.6Å; F230-F241 HydrophobicContact CD1-CD1 3.6Å; F230-F241 HydrophobicContact CD1-CD2 4.5Å; F230-F241 AromaticContact CD1-CE1 3.13Å; F230-F241 HydrophobicContact CD1-CE1 3.13Å; F230-F241 HydrophobicContact CD1-CE2 4.1Å; F230-F241 HydrophobicContact CD1-CG 4.26Å; F230-F241 AromaticContact CD1-CZ 3.41Å; F230-F241 HydrophobicContact CD1-CZ 3.41Å; F230-F241 VanDerWaalsContact CD1-CZ 3.41Å; F230-F241 HydrophobicContact CD2-CZ 4.05Å; F230-F241 HydrophobicContact CE1-CD1 4.24Å; F230-F241 AromaticContact CE1-CE1 3.54Å; F230-F241 HydrophobicContact CE1-CE1 3.54Å; F230-F241 HydrophobicContact CE1-CZ 4.01Å; F230-F241 HydrophobicContact CG-CD1 4.3Å; F230-F241 HydrophobicContact CG-CD2 4.44Å; F230-F241 AromaticContact CG-CE1 3.71Å; F230-F241 HydrophobicContact CG-CE1 3.71Å; F230-F241 AromaticContact CG-CE2 3.83Å; F230-F241 HydrophobicContact CG-CE2 3.83Å; F230-F241 AromaticContact CG-CZ 3.43Å; F230-F241 HydrophobicContact CG-CZ 3.43Å; F230-F241 VanDerWaalsContact CG-CZ 3.43Å; F230-F241 HydrophobicContact CZ-CE1 4.38Å; F230-F241 PolarHBondContact N-O 2.89Å; F230-F241 PolarHBondContact O-N 3.36Å; F230-F241 VanDerWaalsContact O-N 3.16Å; F241-L243 HydrophobicContact CD2-CD2 4.07Å; F241-L243 HydrophobicContact CD2-CG 4.42Å; F241-L243 HydrophobicContact CE2-CD2 3.97Å; F241-L243 HydrophobicContact CE2-CG 4.39Å; F241-M288 HydrophobicContact CE2-CE 3.81Å; F241-M288 HydrophobicContact CZ-CE 3.69Å; F241-R292 HydrophobicContact CD1-CB 4.37Å; F241-R292 HydrophobicContact CD2-CB 4.27Å; F241-R292 HydrophobicContact CE1-CB 3.98Å; F241-R292 HydrophobicContact CE2-CB 3.91Å; F241-R292 HydrophobicContact CE2-CG 4.2Å; F241-R292 HydrophobicContact CZ-CB 3.75Å; F241-R292 HydrophobicContact CZ-CG 4.27Å
242E92.2Very high87.2Confident41 Ų4144.7 Ų44.719%0.19228%0.277CS..EExtended strand (participates in β ladder)trans-85.9145.1-179-160.6-174.8169.200110.6S227 V228 I229 Q244 R332 G353S227-E242 WeakPolarHBondContact CB-OE1 3.43Å; V228-E242 CarbonylContact O-C 3.53Å; V228-E242 WeakPolarHBondContact O-CA 2.87Å; I229-E242 HydrophobicContact CG1-CG 4.42Å; E242-Q244 HydrophobicContact CG-CG 3.92Å; E242-Q244 WeakPolarHBondContact OE1-CG 3.41Å; E242-Q244 PolarHBondContact OE1-NE2 3.44Å; E242-Q244 PolarHBondContact OE2-NE2 3.19Å; E242-Q244 VanDerWaalsContact OE2-NE2 3.15Å; E242-R332 IonicContact OE2-CZ 2.91Å; E242-R332 IonicContact OE2-NH2 2.85Å; E242-R332 PolarHBondContact OE2-NH2 3.15Å; E242-G353 VanDerWaalsContact O-CA 3.32Å; E242-G353 WeakPolarHBondContact O-CA 3.46Å
243L94.5Very high87.6Confident0 Ų043.8 Ų43.80%027%0.272CS..EExtended strand (participates in β ladder)trans-120.8102.6174.2-63.1178.3000107.5V228 F241 L274 W286 M288V228-L243 HydrophobicContact CB-CB 4.02Å; V228-L243 HydrophobicContact CG1-CB 4.31Å; V228-L243 HydrophobicContact CG1-CD1 4.04Å; V228-L243 PolarHBondContact N-O 2.8Å; V228-L243 VanDerWaalsContact N-O 3.13Å; V228-L243 PolarHBondContact O-N 2.84Å; F241-L243 HydrophobicContact CD2-CD2 4.07Å; F241-L243 HydrophobicContact CD2-CG 4.42Å; F241-L243 HydrophobicContact CE2-CD2 3.97Å; F241-L243 HydrophobicContact CE2-CG 4.39Å; L243-L274 HydrophobicContact CD1-CD2 3.88Å; L243-W286 HydrophobicContact CB-CD2 4.28Å; L243-W286 HydrophobicContact CB-CE3 3.96Å; L243-W286 HydrophobicContact CB-CH2 3.96Å; L243-W286 HydrophobicContact CB-CZ2 4.28Å; L243-W286 HydrophobicContact CB-CZ3 3.8Å; L243-W286 HydrophobicContact CD1-CB 4.4Å; L243-W286 HydrophobicContact CD1-CD2 4.09Å; L243-W286 HydrophobicContact CD1-CE3 4.2Å; L243-W286 HydrophobicContact CD1-CG 4.19Å; L243-W286 HydrophobicContact CD2-CE3 4.18Å; L243-W286 HydrophobicContact CD2-CZ3 4.45Å; L243-W286 HydrophobicContact CG-CE3 4.35Å; L243-M288 HydrophobicContact CD1-SD 4.01Å
244Q94.2Very high87.9Confident55 Ų5542.7 Ų42.726%0.25727%0.267SS..EExtended strand (participates in β ladder)trans-104.2119.2-177.7-66.9-167.7-15.100110.9E242 G353 F354 E355E242-Q244 HydrophobicContact CG-CG 3.92Å; E242-Q244 WeakPolarHBondContact OE1-CG 3.41Å; E242-Q244 PolarHBondContact OE1-NE2 3.44Å; E242-Q244 PolarHBondContact OE2-NE2 3.19Å; E242-Q244 VanDerWaalsContact OE2-NE2 3.15Å; Q244-G353 PolarHBondContact N-O 2.95Å; Q244-F354 HydrophobicContact CB-CD1 4.05Å; Q244-F354 HydrophobicContact CG-CD1 4.04Å; Q244-F354 HydrophobicContact CG-CE1 4.02Å; Q244-F354 VanDerWaalsContact OE1-CD1 3.28Å; Q244-E355 PolarHBondContact O-N 3.01Å; Q244-E355 VanDerWaalsContact O-N 3.14Å
245G92.6Very high88.8Confident9 Ų941.4 Ų41.49%0.09325%0.245CC..  trans-156.7-30.3179.800000113.4K356G245-K356 WeakPolarHBondContact O-CE 3.2Å; G245-K356 PolarHBondContact O-NZ 2.8Å
246H96.9Very high90.2Very high11 Ų1140 Ų405%0.05123%0.229CC..  trans-74.7162174.3-70.6-81.6000112.2V250 S276 G278 D280 Y282 K356H246-V250 HydrophobicContact CB-CG2 3.68Å; H246-V250 VanDerWaalsContact CD2-CG2 3.43Å; H246-V250 WeakPolarHBondContact CD2-CG2 3.3Å; H246-S276 PolarHBondContact NE2-OG 3.08Å; H246-G278 PolarHBondContact CE1-N 3.27Å; H246-D280 VanDerWaalsContact CA-OD2 3.27Å; H246-D280 WeakPolarHBondContact CA-OD2 3.36Å; H246-D280 WeakPolarHBondContact CB-OD2 3.36Å; H246-D280 IonicContact CE1-OD1 3.77Å; H246-D280 IonicContact CG-OD2 3.62Å; H246-D280 IonicContact ND1-OD1 2.63Å; H246-D280 PolarHBondContact ND1-OD1 2.77Å; H246-D280 IonicContact ND1-OD2 2.86Å; H246-D280 PolarHBondContact ND1-OD2 2.76Å; H246-Y282 PolarHBondContact CE1-O 2.78Å; H246-K356 PolarHBondContact O-NZ 2.85Å
247S95.9Very high91.4Very high66 Ų6635.8 Ų35.846%0.46219%0.193SC..SBendtrans-114.9-6.6177.156.40000113.3D280S247-D280 PolarHBondContact N-OD2 3.07Å; S247-D280 VanDerWaalsContact OG-CB 3.3Å; S247-D280 WeakPolarHBondContact OG-CB 3.39Å; S247-D280 PolarHBondContact OG-OD2 3.26Å
248K97.7Very high91.4Very high113 Ų11327.7 Ų27.749%0.49116%0.159SC..SBendtrans-138.5179.3175.4-63.8-173.8-177.2175.60108.1H226 V250 L279 D280H226-K248 WeakPolarHBondContact CA-O 3.37Å; H226-K248 WeakPolarHBondContact CB-O 3.35Å; K248-V250 PolarHBondContact O-N 2.88Å; K248-L279 HydrophobicContact CB-CB 4.34Å; K248-D280 HydrophobicContact CB-CB 4.06Å; K248-D280 HydrophobicContact CD-CB 4.25Å; K248-D280 HydrophobicContact CG-CB 4.07Å
249E98.2Very high90.4Very high66 Ų6627.6 Ų27.631%0.30816%0.157SC..  trans-44.5132.8174.2168171.9-177.200112.3S208 A224 H226 G278 L279S208-E249 PolarHBondContact OG-OE1 2.88Å; S208-E249 VanDerWaalsContact OG-OE1 3.13Å; A224-E249 HydrophobicContact CB-CB 4.49Å; A224-E249 HydrophobicContact CB-CG 4.21Å; H226-E249 PolarHBondContact CD2-N 2.83Å; E249-G278 WeakPolarHBondContact O-CA 3.41Å; E249-L279 HydrophobicContact CB-CD1 4.03Å; E249-L279 HydrophobicContact CB-CG 4.35Å; E249-L279 HydrophobicContact CG-CD1 4.21Å; E249-L279 HydrophobicContact CG-CG 4.47Å; E249-L279 PolarHBondContact O-N 3.19Å
250V98.6Very high88.6Confident0 Ų028 Ų280%016%0.162CC..EExtended strand (participates in β ladder)trans-92.2101.1172-170.40000107S208 C222 S223 V228 H246 K248S208-V250 WeakPolarHBondContact CB-O 3.42Å; C222-V250 HydrophobicContact CB-CB 3.8Å; C222-V250 HydrophobicContact CB-CG1 3.52Å; C222-V250 PolarHBondContact SG-O 2.87Å; S223-V250 PolarHBondContact O-N 2.63Å; S223-V250 VanDerWaalsContact O-N 3.09Å; V228-V250 HydrophobicContact CG2-CG1 3.9Å; V228-V250 HydrophobicContact CG2-CG2 4.42Å; H246-V250 HydrophobicContact CB-CG2 3.68Å; H246-V250 VanDerWaalsContact CD2-CG2 3.43Å; H246-V250 WeakPolarHBondContact CD2-CG2 3.3Å; K248-V250 PolarHBondContact O-N 2.88Å
251S98.1Very high86.2Confident15 Ų1530.6 Ų30.611%0.10518%0.181CC..EExtended strand (participates in β ladder)trans-84.8-23.1-167.4700000113.5G277 V386 T387S251-G277 PolarHBondContact N-O 3.21Å; S251-V386 PolarHBondContact OG-O 2.86Å; S251-T387 VanDerWaalsContact OG-CA 3.29Å; S251-T387 WeakPolarHBondContact OG-CA 3.44Å; S251-T387 PolarHBondContact OG-O 3.5Å; S251-T387 VanDerWaalsContact OG-O 3.08Å
252S98.3Very high83.5Confident1 Ų133 Ų331%0.00720%0.2CC..EExtended strand (participates in β ladder)trans-151.5149.3-176.6-165.10000111.4G277 I389S252-G277 PolarHBondContact N-O 2.76Å; S252-G277 PolarHBondContact O-N 3.16Å; S252-I389 WeakPolarHBondContact OG-CG1 3.39Å; S252-I389 PolarHBondContact OG-N 3.18Å
253I98.3Very high80.9Confident1 Ų135.2 Ų35.21%0.00523%0.226CC..EExtended strand (participates in β ladder)trans-142.7151.8178-156170.5000109.8F209 A211 F220 C222 V228 L274 I275F209-I253 HydrophobicContact CB-CG2 4.27Å; F209-I253 HydrophobicContact CD1-CG2 4.33Å; F209-I253 WeakPolarHBondContact CD1-O 3.22Å; A211-I253 HydrophobicContact CB-CG2 3.85Å; F220-I253 HydrophobicContact CB-CD1 4.08Å; C222-I253 HydrophobicContact CB-CB 4.19Å; C222-I253 HydrophobicContact CB-CD1 4.34Å; C222-I253 HydrophobicContact CB-CG2 4.39Å; V228-I253 HydrophobicContact CB-CD1 4.28Å; V228-I253 HydrophobicContact CG1-CD1 3.41Å; V228-I253 VanDerWaalsContact CG1-CD1 3.41Å; V228-I253 HydrophobicContact CG2-CD1 3.84Å; I253-L274 HydrophobicContact CD1-CD1 3.54Å; I253-L274 HydrophobicContact CD1-CD2 3.65Å; I253-L274 HydrophobicContact CD1-CG 3.69Å; I253-L274 HydrophobicContact CG1-CD1 3.58Å; I253-L274 HydrophobicContact CG1-CD2 4.43Å; I253-L274 HydrophobicContact CG1-CG 3.92Å; I253-I275 CarbonylContact C-O 3.58Å; I253-I275 WeakPolarHBondContact CA-O 3.35Å; I253-I275 WeakPolarHBondContact CG1-O 3.33Å
254C96.8Very high78Confident13 Ų1342.4 Ų42.49%0.08826%0.264CS..EExtended strand (participates in β ladder)trans-148144.9171.1630000110.8I275 I389 V391C254-I275 PolarHBondContact N-O 3.01Å; C254-I275 PolarHBondContact O-N 2.79Å; C254-I389 HydrophobicContact CB-CD1 4.43Å; C254-I389 HydrophobicContact CB-CG1 4.33Å; C254-V391 VanDerWaalsContact SG-CG2 3.55Å
255W94.9Very high75.4Confident31 Ų3142.9 Ų42.912%0.11727%0.27CS..EExtended strand (participates in β ladder)trans-88.4137.1170.5-179.5-115.9000109.3A211 D213 F220 G272 L274 M288A211-W255 HydrophobicContact CB-CB 4.22Å; D213-W255 HydrophobicContact CB-CD2 4.04Å; D213-W255 HydrophobicContact CB-CG 4.06Å; D213-W255 HydrophobicContact CB-CZ2 4.23Å; D213-W255 VanDerWaalsContact CG-NE1 3.35Å; D213-W255 WeakPolarHBondContact OD2-CZ2 3.34Å; F220-W255 HydrophobicContact CD2-CE3 4.36Å; F220-W255 HydrophobicContact CE2-CD2 4.08Å; F220-W255 AromaticContact CE2-CE3 3.54Å; F220-W255 HydrophobicContact CE2-CE3 3.54Å; F220-W255 AromaticContact CE2-CZ3 3.91Å; F220-W255 HydrophobicContact CE2-CZ3 3.91Å; F220-W255 AromaticContact CZ-CE3 3.83Å; F220-W255 HydrophobicContact CZ-CE3 3.83Å; F220-W255 HydrophobicContact CZ-CH2 4.46Å; F220-W255 AromaticContact CZ-CZ3 3.71Å; F220-W255 HydrophobicContact CZ-CZ3 3.71Å; W255-G272 VanDerWaalsContact CH2-C 3.5Å; W255-L274 HydrophobicContact CE3-CB 4.08Å; W255-L274 HydrophobicContact CE3-CD1 4.37Å; W255-L274 HydrophobicContact CZ3-CB 4.19Å; W255-M288 HydrophobicContact CH2-CB 4.02Å; W255-M288 HydrophobicContact CH2-CG 4.34Å; W255-M288 HydrophobicContact CZ3-CB 3.99Å; W255-M288 HydrophobicContact CZ3-CG 3.78Å
256W91.7Very high73Confident1 Ų151.3 Ų51.30%0.00430%0.304CS..EExtended strand (participates in β ladder)trans-125.6109.6175.4176.631.7000109.3T258 G272 L273 I275 V391 N396 I412 F415W256-T258 HydrophobicContact CD2-CG2 4.03Å; W256-T258 HydrophobicContact CE3-CG2 4.09Å; W256-T258 HydrophobicContact CH2-CG2 4.06Å; W256-T258 HydrophobicContact CZ2-CG2 3.99Å; W256-T258 HydrophobicContact CZ3-CG2 4.12Å; W256-T258 PolarHBondContact O-N 3.42Å; W256-G272 CarbonylContact O-C 3.52Å; W256-G272 VanDerWaalsContact O-CA 3.3Å; W256-G272 WeakPolarHBondContact O-CA 3.16Å; W256-L273 HydrophobicContact CE3-CB 4.01Å; W256-L273 HydrophobicContact CE3-CD1 3.66Å; W256-L273 HydrophobicContact CE3-CG 4.41Å; W256-L273 HydrophobicContact CZ3-CD1 3.5Å; W256-L273 PolarHBondContact N-O 2.95Å; W256-L273 PolarHBondContact O-N 3.35Å; W256-I275 HydrophobicContact CB-CD1 4.46Å; W256-I275 HydrophobicContact CE3-CD1 4.24Å; W256-V391 HydrophobicContact CB-CG1 4.18Å; W256-V391 HydrophobicContact CB-CG2 4.4Å; W256-V391 HydrophobicContact CG-CG1 3.83Å; W256-N396 HydrophobicContact CZ2-CB 4.25Å; W256-N396 WeakPolarHBondContact CZ2-OD1 3.32Å; W256-I412 HydrophobicContact CD2-CD1 3.69Å; W256-I412 HydrophobicContact CE3-CD1 3.56Å; W256-I412 HydrophobicContact CE3-CG1 4.49Å; W256-I412 HydrophobicContact CG-CD1 4.47Å; W256-I412 HydrophobicContact CH2-CB 4.18Å; W256-I412 HydrophobicContact CH2-CD1 3.75Å; W256-I412 HydrophobicContact CH2-CG1 3.81Å; W256-I412 VanDerWaalsContact CH2-O 3.3Å; W256-I412 WeakPolarHBondContact CH2-O 2.72Å; W256-I412 HydrophobicContact CZ2-CD1 3.86Å; W256-I412 HydrophobicContact CZ2-CG1 4.05Å; W256-I412 HydrophobicContact CZ3-CB 4.23Å; W256-I412 HydrophobicContact CZ3-CD1 3.58Å; W256-I412 HydrophobicContact CZ3-CG1 4.04Å; W256-F415 HydrophobicContact CH2-CB 3.87Å; W256-F415 HydrophobicContact CZ3-CB 3.61Å; W256-F415 HydrophobicContact CZ3-CG 4.43Å
257S81.5Confident70.6Confident29 Ų2956.2 Ų56.220%0.20333%0.331CS..EExtended strand (participates in β ladder)trans-81.1114.6173.1800000108.6G259 E393S257-G259 PolarHBondContact O-N 2.87Å; S257-E393 PolarHBondContact N-OE1 2.98Å; S257-E393 PolarHBondContact OG-OE1 2.84Å; S257-E393 PolarHBondContact OG-OE2 2.91Å; S257-E393 VanDerWaalsContact OG-OE2 3.1Å
258T65Low68.2Low13 Ų1354.2 Ų54.28%0.0832%0.317CS..  trans-77.223.2-175.742.20000112.9W256 A260 Y270 K271 G272 L273W256-T258 HydrophobicContact CD2-CG2 4.03Å; W256-T258 HydrophobicContact CE3-CG2 4.09Å; W256-T258 HydrophobicContact CH2-CG2 4.06Å; W256-T258 HydrophobicContact CZ2-CG2 3.99Å; W256-T258 HydrophobicContact CZ3-CG2 4.12Å; W256-T258 PolarHBondContact O-N 3.42Å; T258-A260 VanDerWaalsContact C-N 3.33Å; T258-A260 PolarHBondContact O-N 3.19Å; T258-Y270 PolarHBondContact OG1-O 3.47Å; T258-K271 PolarHBondContact OG1-O 3.27Å; T258-G272 PolarHBondContact OG1-N 2.98Å; T258-L273 HydrophobicContact CG2-CD1 4.25Å
259G52.7Low66.1Low30 Ų3054.2 Ų54.231%0.30932%0.317SS..SBendtrans73.314173.500000115.9S257 S261 S262S257-G259 PolarHBondContact O-N 2.87Å; G259-S261 PolarHBondContact O-N 3.44Å; G259-S262 PolarHBondContact O-N 2.81Å
260A44Very low64.3Low37 Ų3753.1 Ų53.131%0.30631%0.31SS..THydrogen-bonded Turntrans-59-9.8175.100000114.2T258 K271T258-A260 VanDerWaalsContact C-N 3.33Å; T258-A260 PolarHBondContact O-N 3.19Å; A260-K271 HydrophobicContact CB-CB 4.1Å; A260-K271 HydrophobicContact CB-CG 4.17Å
261S39.3Very low62.8Low90 Ų9060.2 Ų60.263%0.62934%0.341SS*.THydrogen-bonded Turntrans-84.2-16.6173-55.10000114.1G259 A263G259-S261 PolarHBondContact O-N 3.44Å; S261-A263 PolarHBondContact O-N 3.28Å
262S32.4Very low62Low72 Ų7259.5 Ų59.550%0.50334%0.336SS..SBendtrans-75.6112167-168.60000106.7G259 N264 V265G259-S262 PolarHBondContact O-N 2.81Å; S262-N264 PolarHBondContact O-N 3.46Å; S262-V265 PolarHBondContact O-N 2.9Å
263A36.7Very low61.6Low87 Ų8759.5 Ų59.572%0.71934%0.336SS*.THydrogen-bonded Turntrans-51.2-8.3-174.100000115.5S261S261-A263 PolarHBondContact O-N 3.28Å
264N34.1Very low61.5Low151 Ų15159.4 Ų59.481%0.80734%0.336SS*.THydrogen-bonded Turntrans-96.3-7.7178.7-68.5-17.5000115S262 K266S262-N264 PolarHBondContact O-N 3.46Å; N264-K266 PolarHBondContact O-N 2.63Å
265V38.7Very low61.5Low64 Ų6458.8 Ų58.839%0.38833%0.332SS..  trans-103.167.2175.3-165.10000109.4S262 D267S262-V265 PolarHBondContact O-N 2.9Å; V265-D267 PolarHBondContact O-N 3.47Å
266K42.9Very low61.6Low186 Ų18657.3 Ų57.381%0.80933%0.326SS*.THydrogen-bonded Turntrans-64.3-10.5169.9-80-174175.7179.10113.1N264N264-K266 PolarHBondContact O-N 2.63Å
267D45.9Very low62Low115 Ų11557.3 Ų57.362%0.61533%0.326SS*.THydrogen-bonded Turntrans-114.411.5-166-62.1-36.3000115V265 K269 N418V265-D267 PolarHBondContact O-N 3.47Å; D267-K269 PolarHBondContact O-N 3.31Å; D267-N418 PolarHBondContact O-ND2 3.25Å
268S47.1Very low62.7Low23 Ų2355.9 Ų55.916%0.16132%0.316CS..  trans-68.9124.6172.872.70000109.5Y270S268-Y270 WeakPolarHBondContact CB-O 3.44Å; S268-Y270 PolarHBondContact O-N 3.08Å; S268-Y270 VanDerWaalsContact O-N 3.08Å; S268-Y270 PolarHBondContact OG-O 2.86Å
269K53.2Low64.3Low113 Ų11357.2 Ų57.249%0.49132%0.322SS..SBendtrans-57-26.6179.4-171.5177.8176.6-1760113.2D267D267-K269 PolarHBondContact O-N 3.31Å
270Y59.9Low66.4Low44 Ų4457 Ų5717%0.17331%0.314CS..  trans-139.7146.6179.8-54.6-68.9000110T258 S268 F287 D289T258-Y270 PolarHBondContact OG1-O 3.47Å; S268-Y270 WeakPolarHBondContact CB-O 3.44Å; S268-Y270 PolarHBondContact O-N 3.08Å; S268-Y270 VanDerWaalsContact O-N 3.08Å; S268-Y270 PolarHBondContact OG-O 2.86Å; Y270-F287 HydrophobicContact CD1-CB 4.37Å; Y270-F287 AromaticContact CD1-CD1 3.67Å; Y270-F287 HydrophobicContact CD1-CD1 3.67Å; Y270-F287 HydrophobicContact CD1-CE1 4.4Å; Y270-F287 HydrophobicContact CD1-CG 4.26Å; Y270-F287 AromaticContact CD2-CD1 3.62Å; Y270-F287 HydrophobicContact CD2-CD1 3.62Å; Y270-F287 AromaticContact CD2-CE1 3.58Å; Y270-F287 HydrophobicContact CD2-CE1 3.58Å; Y270-F287 HydrophobicContact CE1-CB 4.21Å; Y270-F287 AromaticContact CE1-CD1 3.48Å; Y270-F287 HydrophobicContact CE1-CD1 3.48Å; Y270-F287 VanDerWaalsContact CE1-CD1 3.48Å; Y270-F287 HydrophobicContact CE1-CE1 4.03Å; Y270-F287 AromaticContact CE1-CG 3.84Å; Y270-F287 HydrophobicContact CE1-CG 3.84Å; Y270-F287 AromaticContact CE2-CD1 3.39Å; Y270-F287 HydrophobicContact CE2-CD1 3.39Å; Y270-F287 AromaticContact CE2-CE1 3.08Å; Y270-F287 HydrophobicContact CE2-CE1 3.08Å; Y270-F287 HydrophobicContact CE2-CG 4.4Å; Y270-F287 AromaticContact CE2-CZ 3.88Å; Y270-F287 HydrophobicContact CE2-CZ 3.88Å; Y270-F287 AromaticContact CG-CD1 3.74Å; Y270-F287 HydrophobicContact CG-CD1 3.74Å; Y270-F287 HydrophobicContact CG-CE1 4.19Å; Y270-F287 AromaticContact CZ-CD1 3.3Å; Y270-F287 AromaticContact CZ-CE1 3.33Å; Y270-F287 AromaticContact CZ-CG 3.89Å; Y270-F287 AromaticContact CZ-CZ 3.9Å; Y270-D289 VanDerWaalsContact C-OD2 3.26Å; Y270-D289 WeakPolarHBondContact CA-OD2 3.32Å; Y270-D289 WeakPolarHBondContact CB-OD2 3.47Å
271K67.6Low69Low149 Ų14955.4 Ų55.465%0.64830%0.301SS*.SBendtrans-82.8-20.5178.3-55.8-179.1173.6-176.70112.9T258 A260 D289T258-K271 PolarHBondContact OG1-O 3.27Å; A260-K271 HydrophobicContact CB-CB 4.1Å; A260-K271 HydrophobicContact CB-CG 4.17Å; K271-D289 VanDerWaalsContact CB-OD1 3.26Å; K271-D289 WeakPolarHBondContact CB-OD1 3.44Å; K271-D289 PolarHBondContact N-OD1 3.42Å; K271-D289 PolarHBondContact N-OD2 2.96Å
272G81.9Confident71.7Confident0 Ų055.8 Ų55.80%029%0.289CS..EExtended strand (participates in β ladder)trans-174.2155173.800000112.5W255 W256 T258W255-G272 VanDerWaalsContact CH2-C 3.5Å; W256-G272 CarbonylContact O-C 3.52Å; W256-G272 VanDerWaalsContact O-CA 3.3Å; W256-G272 WeakPolarHBondContact O-CA 3.16Å; T258-G272 PolarHBondContact OG1-N 2.98Å
273L90.2Very high74.8Confident0 Ų052.3 Ų52.30%027%0.265CS..EExtended strand (participates in β ladder)trans-126133.4-178.3-74.3167.1000109.4W256 T258 W286 F287 F415W256-L273 HydrophobicContact CE3-CB 4.01Å; W256-L273 HydrophobicContact CE3-CD1 3.66Å; W256-L273 HydrophobicContact CE3-CG 4.41Å; W256-L273 HydrophobicContact CZ3-CD1 3.5Å; W256-L273 PolarHBondContact N-O 2.95Å; W256-L273 PolarHBondContact O-N 3.35Å; T258-L273 HydrophobicContact CG2-CD1 4.25Å; L273-W286 WeakPolarHBondContact CD2-O 3.25Å; L273-F287 HydrophobicContact CD2-CD1 3.27Å; L273-F287 HydrophobicContact CD2-CE1 3.53Å; L273-F287 HydrophobicContact CD2-CG 4.27Å; L273-F415 HydrophobicContact CD1-CB 3.82Å; L273-F415 HydrophobicContact CD1-CD1 4.34Å; L273-F415 HydrophobicContact CD1-CG 4.41Å
274L94.9Very high77.6Confident0 Ų048.3 Ų48.30%023%0.232CC..EExtended strand (participates in β ladder)trans-89.9132.5164.6-178.171.2000107.6A211 F220 V228 L243 I253 W255 F285 W286 M288A211-L274 HydrophobicContact CB-CD1 4.39Å; F220-L274 HydrophobicContact CB-CD1 3.68Å; F220-L274 HydrophobicContact CB-CD2 4.15Å; F220-L274 HydrophobicContact CD1-CD1 3.81Å; F220-L274 HydrophobicContact CD1-CD2 3.27Å; F220-L274 HydrophobicContact CD1-CG 4.06Å; F220-L274 HydrophobicContact CD2-CD1 3.69Å; F220-L274 HydrophobicContact CE1-CB 4.36Å; F220-L274 HydrophobicContact CE1-CD1 4.27Å; F220-L274 HydrophobicContact CE1-CD2 3.69Å; F220-L274 HydrophobicContact CE1-CG 4.34Å; F220-L274 HydrophobicContact CE2-CD1 4.22Å; F220-L274 HydrophobicContact CG-CD1 3.45Å; F220-L274 VanDerWaalsContact CG-CD1 3.45Å; F220-L274 HydrophobicContact CG-CD2 3.82Å; F220-L274 HydrophobicContact CG-CG 4.21Å; F220-L274 HydrophobicContact CZ-CD1 4.47Å; V228-L274 HydrophobicContact CG1-CD2 3.75Å; L243-L274 HydrophobicContact CD1-CD2 3.88Å; I253-L274 HydrophobicContact CD1-CD1 3.54Å; I253-L274 HydrophobicContact CD1-CD2 3.65Å; I253-L274 HydrophobicContact CD1-CG 3.69Å; I253-L274 HydrophobicContact CG1-CD1 3.58Å; I253-L274 HydrophobicContact CG1-CD2 4.43Å; I253-L274 HydrophobicContact CG1-CG 3.92Å; W255-L274 HydrophobicContact CE3-CB 4.08Å; W255-L274 HydrophobicContact CE3-CD1 4.37Å; W255-L274 HydrophobicContact CZ3-CB 4.19Å; L274-F285 CarbonylContact O-C 3.59Å; L274-W286 HydrophobicContact CB-CB 4.12Å; L274-W286 HydrophobicContact CB-CG 4.49Å; L274-W286 HydrophobicContact CD2-CG 4.35Å; L274-W286 PolarHBondContact N-O 3.11Å; L274-W286 VanDerWaalsContact O-CD1 3.31Å; L274-W286 PolarHBondContact O-N 3.24Å; L274-M288 HydrophobicContact CB-CG 4.1Å
275I96.6Very high80.5Confident0 Ų041.1 Ų41.10%019%0.193CC..EExtended strand (participates in β ladder)trans-115.1129.6174.9-52.5174.8000107I253 C254 W256 I284 F285 I389 V391 L398 I412I253-I275 CarbonylContact C-O 3.58Å; I253-I275 WeakPolarHBondContact CA-O 3.35Å; I253-I275 WeakPolarHBondContact CG1-O 3.33Å; C254-I275 PolarHBondContact N-O 3.01Å; C254-I275 PolarHBondContact O-N 2.79Å; W256-I275 HydrophobicContact CB-CD1 4.46Å; W256-I275 HydrophobicContact CE3-CD1 4.24Å; I275-I284 CarbonylContact C-O 3.53Å; I275-I284 WeakPolarHBondContact CA-O 3.48Å; I275-F285 HydrophobicContact CD1-CD1 3.84Å; I275-F285 HydrophobicContact CD1-CE1 3.56Å; I275-F285 HydrophobicContact CD1-CZ 4.47Å; I275-F285 HydrophobicContact CG1-CD1 3.7Å; I275-F285 HydrophobicContact CG1-CE1 3.92Å; I275-F285 HydrophobicContact CG1-CG 4.46Å; I275-F285 HydrophobicContact CG2-CD1 4.43Å; I275-F285 HydrophobicContact CG2-CE1 4.27Å; I275-F285 HydrophobicContact CG2-CZ 4.39Å; I275-I389 HydrophobicContact CB-CD1 4.15Å; I275-I389 HydrophobicContact CG2-CD1 3.89Å; I275-I389 VanDerWaalsContact O-CD1 3.22Å; I275-I389 WeakPolarHBondContact O-CD1 3.31Å; I275-V391 HydrophobicContact CD1-CG2 3.86Å; I275-L398 HydrophobicContact CD1-CD1 4.16Å; I275-L398 HydrophobicContact CG2-CD1 4.37Å; I275-L398 HydrophobicContact CG2-CD2 4.29Å; I275-I412 HydrophobicContact CD1-CD1 4.13Å
276S98.4Very high83.1Confident0 Ų038 Ų380%018%0.175CC..EExtended strand (participates in β ladder)trans-118.6142.9172.364.20000111H246 L283 I284 W286H246-S276 PolarHBondContact NE2-OG 3.08Å; S276-L283 CarbonylContact O-C 3.55Å; S276-L283 VanDerWaalsContact O-CA 3.27Å; S276-L283 WeakPolarHBondContact O-CA 3.23Å; S276-I284 PolarHBondContact N-O 3.17Å; S276-I284 PolarHBondContact O-N 3.15Å; S276-W286 PolarHBondContact OG-NE1 3.21Å
277G98.2Very high85.2Confident0 Ų029.8 Ų29.80%014%0.139CC..EExtended strand (participates in β ladder)trans-119.4136.3173.900000110.4S251 S252S251-G277 PolarHBondContact N-O 3.21Å; S252-G277 PolarHBondContact N-O 2.76Å; S252-G277 PolarHBondContact O-N 3.16Å
278G97.9Very high87.1Confident0 Ų024.9 Ų24.90%011%0.112CC..EExtended strand (participates in β ladder)trans-123.7160.5-177.600000114.3H246 E249 D280 G281 Y282 V386H246-G278 PolarHBondContact CE1-N 3.27Å; E249-G278 WeakPolarHBondContact O-CA 3.41Å; G278-D280 PolarHBondContact O-N 3.36Å; G278-G281 PolarHBondContact O-N 3.23Å; G278-Y282 PolarHBondContact N-O 3.28Å; G278-Y282 VanDerWaalsContact N-O 3.1Å; G278-V386 PolarHBondContact O-N 2.96Å
279L98.2Very high88.3Confident40 Ų4026.7 Ų26.721%0.20912%0.12CC..THydrogen-bonded Turntrans-69.7-5.5171.5-63.9-173.7000113.1K248 E249 P385 V386 T387K248-L279 HydrophobicContact CB-CB 4.34Å; E249-L279 HydrophobicContact CB-CD1 4.03Å; E249-L279 HydrophobicContact CB-CG 4.35Å; E249-L279 HydrophobicContact CG-CD1 4.21Å; E249-L279 HydrophobicContact CG-CG 4.47Å; E249-L279 PolarHBondContact O-N 3.19Å; L279-P385 HydrophobicContact CD2-CB 4.38Å; L279-V386 WeakPolarHBondContact CD2-O 3.33Å; L279-T387 HydrophobicContact CD2-CG2 4.15Å
280D97.4Very high88.9Confident26 Ų2623.4 Ų23.414%0.13911%0.111CC..THydrogen-bonded Turntrans-77.8-7.5166.158.95.6000113.3H246 S247 K248 G278 Y282H246-D280 VanDerWaalsContact CA-OD2 3.27Å; H246-D280 WeakPolarHBondContact CA-OD2 3.36Å; H246-D280 WeakPolarHBondContact CB-OD2 3.36Å; H246-D280 IonicContact CE1-OD1 3.77Å; H246-D280 IonicContact CG-OD2 3.62Å; H246-D280 IonicContact ND1-OD1 2.63Å; H246-D280 PolarHBondContact ND1-OD1 2.77Å; H246-D280 IonicContact ND1-OD2 2.86Å; H246-D280 PolarHBondContact ND1-OD2 2.76Å; S247-D280 PolarHBondContact N-OD2 3.07Å; S247-D280 VanDerWaalsContact OG-CB 3.3Å; S247-D280 WeakPolarHBondContact OG-CB 3.39Å; S247-D280 PolarHBondContact OG-OD2 3.26Å; K248-D280 HydrophobicContact CB-CB 4.06Å; K248-D280 HydrophobicContact CD-CB 4.25Å; K248-D280 HydrophobicContact CG-CB 4.07Å; G278-D280 PolarHBondContact O-N 3.36Å; D280-Y282 HydrophobicContact CB-CD2 4.26Å; D280-Y282 PolarHBondContact OD1-N 2.68Å
281G96.9Very high89.4Confident3 Ų326.6 Ų26.63%0.03114%0.139CC..SBendtrans85.38.5177.200000114.6G278 A382 H384G278-G281 PolarHBondContact O-N 3.23Å; G281-A382 WeakPolarHBondContact O-CB 3.46Å; G281-A382 PolarHBondContact O-N 2.85Å; G281-H384 WeakPolarHBondContact CA-O 3.39Å
282Y97.4Very high90.2Very high98 Ų9820.8 Ų20.838%0.38411%0.113SC..EExtended strand (participates in β ladder)trans-93.6146.4175.6-73.3-87.6000111.8H246 G278 D280 F380 D381H246-Y282 PolarHBondContact CE1-O 2.78Å; G278-Y282 PolarHBondContact N-O 3.28Å; G278-Y282 VanDerWaalsContact N-O 3.1Å; D280-Y282 HydrophobicContact CB-CD2 4.26Å; D280-Y282 PolarHBondContact OD1-N 2.68Å; Y282-F380 CarbonylContact C-O 3.55Å; Y282-F380 WeakPolarHBondContact CA-O 3.32Å; Y282-D381 HydrophobicContact CD1-CB 4.33Å; Y282-D381 HydrophobicContact CE1-CB 3.95Å
283L97.3Very high90.3Very high0 Ų025 Ų250%014%0.135CC..EExtended strand (participates in β ladder)trans-100.9135156.6-63.5168.1000107.9S276 F285 S379 F380 A382 V386 I389 L398 T400S276-L283 CarbonylContact O-C 3.55Å; S276-L283 VanDerWaalsContact O-CA 3.27Å; S276-L283 WeakPolarHBondContact O-CA 3.23Å; L283-F285 HydrophobicContact CB-CE2 4.04Å; L283-S379 CarbonylContact O-C 3.44Å; L283-S379 WeakPolarHBondContact O-CA 3.43Å; L283-F380 HydrophobicContact CD1-CD1 4.26Å; L283-F380 PolarHBondContact N-O 2.85Å; L283-F380 PolarHBondContact O-N 3.48Å; L283-A382 HydrophobicContact CD1-CB 4.15Å; L283-A382 HydrophobicContact CG-CB 4.07Å; L283-V386 HydrophobicContact CD2-CG1 4.46Å; L283-V386 HydrophobicContact CD2-CG2 4.23Å; L283-I389 HydrophobicContact CD2-CG2 3.95Å; L283-L398 HydrophobicContact CD1-CD2 3.75Å; L283-L398 HydrophobicContact CD2-CD2 4.43Å; L283-T400 HydrophobicContact CD1-CG2 4.02Å; L283-T400 HydrophobicContact CD2-CG2 3.9Å
284I95.8Very high90.1Very high2 Ų229.4 Ų29.41%0.0116%0.155CC..EExtended strand (participates in β ladder)trans-122123.5173.7-53.7-177.9000108.9I275 S276 W286 A377 I378I275-I284 CarbonylContact C-O 3.53Å; I275-I284 WeakPolarHBondContact CA-O 3.48Å; S276-I284 PolarHBondContact N-O 3.17Å; S276-I284 PolarHBondContact O-N 3.15Å; I284-W286 HydrophobicContact CB-CZ2 3.9Å; I284-W286 HydrophobicContact CD1-CH2 4.27Å; I284-W286 HydrophobicContact CD1-CZ2 3.89Å; I284-W286 HydrophobicContact CG1-CZ2 4.49Å; I284-W286 HydrophobicContact CG2-CD2 3.74Å; I284-W286 HydrophobicContact CG2-CE3 4.17Å; I284-W286 HydrophobicContact CG2-CG 4.28Å; I284-W286 HydrophobicContact CG2-CH2 4Å; I284-W286 HydrophobicContact CG2-CZ2 3.54Å; I284-W286 HydrophobicContact CG2-CZ3 4.28Å; I284-W286 PolarHBondContact O-NE1 3.45Å; I284-A377 HydrophobicContact CG2-CB 3.69Å; I284-I378 WeakPolarHBondContact CA-O 3.35Å
285F93.9Very high89.7Confident0 Ų030.4 Ų30.40%016%0.163CC..EExtended strand (participates in β ladder)trans-98106.5176.3-64-104.4000108.2P15 L274 I275 L283 A377 I378 F380 L398 I412 F415P15-F285 HydrophobicContact CB-CZ 4.33Å; P15-F285 HydrophobicContact CG-CE2 4.2Å; P15-F285 HydrophobicContact CG-CZ 4.2Å; L274-F285 CarbonylContact O-C 3.59Å; I275-F285 HydrophobicContact CD1-CD1 3.84Å; I275-F285 HydrophobicContact CD1-CE1 3.56Å; I275-F285 HydrophobicContact CD1-CZ 4.47Å; I275-F285 HydrophobicContact CG1-CD1 3.7Å; I275-F285 HydrophobicContact CG1-CE1 3.92Å; I275-F285 HydrophobicContact CG1-CG 4.46Å; I275-F285 HydrophobicContact CG2-CD1 4.43Å; I275-F285 HydrophobicContact CG2-CE1 4.27Å; I275-F285 HydrophobicContact CG2-CZ 4.39Å; L283-F285 HydrophobicContact CB-CE2 4.04Å; F285-A377 CarbonylContact O-C 3.5Å; F285-A377 WeakPolarHBondContact O-CA 3.45Å; F285-I378 HydrophobicContact CB-CB 4.46Å; F285-I378 PolarHBondContact N-O 3.48Å; F285-I378 PolarHBondContact O-N 2.92Å; F285-F380 HydrophobicContact CE2-CB 4.49Å; F285-L398 HydrophobicContact CZ-CD2 4.06Å; F285-I412 HydrophobicContact CE1-CG2 3.96Å; F285-I412 HydrophobicContact CZ-CG2 4.08Å; F285-F415 HydrophobicContact CB-CE1 4.02Å; F285-F415 HydrophobicContact CD1-CD1 4.19Å; F285-F415 HydrophobicContact CD1-CD2 4.39Å; F285-F415 AromaticContact CD1-CE1 3.94Å; F285-F415 HydrophobicContact CD1-CE1 3.94Å; F285-F415 HydrophobicContact CD1-CE2 4.16Å; F285-F415 HydrophobicContact CD1-CG 4.41Å; F285-F415 AromaticContact CD1-CZ 3.93Å; F285-F415 HydrophobicContact CD1-CZ 3.93Å; F285-F415 HydrophobicContact CD2-CE1 4.22Å; F285-F415 AromaticContact CD2-CZ 3.89Å; F285-F415 HydrophobicContact CD2-CZ 3.89Å; F285-F415 HydrophobicContact CE1-CD2 4.19Å; F285-F415 HydrophobicContact CE1-CE1 4.47Å; F285-F415 AromaticContact CE1-CE2 3.88Å; F285-F415 HydrophobicContact CE1-CE2 3.88Å; F285-F415 HydrophobicContact CE1-CZ 4.04Å; F285-F415 HydrophobicContact CE2-CE2 4.36Å; F285-F415 HydrophobicContact CE2-CZ 4.02Å; F285-F415 HydrophobicContact CG-CD1 4.43Å; F285-F415 AromaticContact CG-CE1 3.8Å; F285-F415 HydrophobicContact CG-CE1 3.8Å; F285-F415 AromaticContact CG-CZ 3.87Å; F285-F415 HydrophobicContact CG-CZ 3.87Å; F285-F415 AromaticContact CZ-CE2 4Å; F285-F415 HydrophobicContact CZ-CE2 4Å; F285-F415 HydrophobicContact CZ-CZ 4.09Å
286W92.6Very high89.3Confident0 Ų032.4 Ų32.40%018%0.176CC..EExtended strand (participates in β ladder)trans-94.4125.1-176.4-46.686.2000111L243 L273 L274 S276 I284 M288 E355 A377L243-W286 HydrophobicContact CB-CD2 4.28Å; L243-W286 HydrophobicContact CB-CE3 3.96Å; L243-W286 HydrophobicContact CB-CH2 3.96Å; L243-W286 HydrophobicContact CB-CZ2 4.28Å; L243-W286 HydrophobicContact CB-CZ3 3.8Å; L243-W286 HydrophobicContact CD1-CB 4.4Å; L243-W286 HydrophobicContact CD1-CD2 4.09Å; L243-W286 HydrophobicContact CD1-CE3 4.2Å; L243-W286 HydrophobicContact CD1-CG 4.19Å; L243-W286 HydrophobicContact CD2-CE3 4.18Å; L243-W286 HydrophobicContact CD2-CZ3 4.45Å; L243-W286 HydrophobicContact CG-CE3 4.35Å; L273-W286 WeakPolarHBondContact CD2-O 3.25Å; L274-W286 HydrophobicContact CB-CB 4.12Å; L274-W286 HydrophobicContact CB-CG 4.49Å; L274-W286 HydrophobicContact CD2-CG 4.35Å; L274-W286 PolarHBondContact N-O 3.11Å; L274-W286 VanDerWaalsContact O-CD1 3.31Å; L274-W286 PolarHBondContact O-N 3.24Å; S276-W286 PolarHBondContact OG-NE1 3.21Å; I284-W286 HydrophobicContact CB-CZ2 3.9Å; I284-W286 HydrophobicContact CD1-CH2 4.27Å; I284-W286 HydrophobicContact CD1-CZ2 3.89Å; I284-W286 HydrophobicContact CG1-CZ2 4.49Å; I284-W286 HydrophobicContact CG2-CD2 3.74Å; I284-W286 HydrophobicContact CG2-CE3 4.17Å; I284-W286 HydrophobicContact CG2-CG 4.28Å; I284-W286 HydrophobicContact CG2-CH2 4Å; I284-W286 HydrophobicContact CG2-CZ2 3.54Å; I284-W286 HydrophobicContact CG2-CZ3 4.28Å; I284-W286 PolarHBondContact O-NE1 3.45Å; W286-M288 HydrophobicContact CB-SD 4.19Å; W286-M288 PolarHBondContact O-N 3.12Å; W286-E355 HydrophobicContact CZ3-CG 3.86Å; W286-A377 HydrophobicContact CD2-CB 4.25Å; W286-A377 HydrophobicContact CE3-CB 3.74Å; W286-A377 HydrophobicContact CZ3-CB 4.17Å
287F88.4Confident88.8Confident12 Ų1239.5 Ų39.55%0.05321%0.214CC..EExtended strand (participates in β ladder)trans-79118.6173-55.7-62.6000109.5Y270 L273 P290 R292 L376 I378Y270-F287 HydrophobicContact CD1-CB 4.37Å; Y270-F287 AromaticContact CD1-CD1 3.67Å; Y270-F287 HydrophobicContact CD1-CD1 3.67Å; Y270-F287 HydrophobicContact CD1-CE1 4.4Å; Y270-F287 HydrophobicContact CD1-CG 4.26Å; Y270-F287 AromaticContact CD2-CD1 3.62Å; Y270-F287 HydrophobicContact CD2-CD1 3.62Å; Y270-F287 AromaticContact CD2-CE1 3.58Å; Y270-F287 HydrophobicContact CD2-CE1 3.58Å; Y270-F287 HydrophobicContact CE1-CB 4.21Å; Y270-F287 AromaticContact CE1-CD1 3.48Å; Y270-F287 HydrophobicContact CE1-CD1 3.48Å; Y270-F287 VanDerWaalsContact CE1-CD1 3.48Å; Y270-F287 HydrophobicContact CE1-CE1 4.03Å; Y270-F287 AromaticContact CE1-CG 3.84Å; Y270-F287 HydrophobicContact CE1-CG 3.84Å; Y270-F287 AromaticContact CE2-CD1 3.39Å; Y270-F287 HydrophobicContact CE2-CD1 3.39Å; Y270-F287 AromaticContact CE2-CE1 3.08Å; Y270-F287 HydrophobicContact CE2-CE1 3.08Å; Y270-F287 HydrophobicContact CE2-CG 4.4Å; Y270-F287 AromaticContact CE2-CZ 3.88Å; Y270-F287 HydrophobicContact CE2-CZ 3.88Å; Y270-F287 AromaticContact CG-CD1 3.74Å; Y270-F287 HydrophobicContact CG-CD1 3.74Å; Y270-F287 HydrophobicContact CG-CE1 4.19Å; Y270-F287 AromaticContact CZ-CD1 3.3Å; Y270-F287 AromaticContact CZ-CE1 3.33Å; Y270-F287 AromaticContact CZ-CG 3.89Å; Y270-F287 AromaticContact CZ-CZ 3.9Å; L273-F287 HydrophobicContact CD2-CD1 3.27Å; L273-F287 HydrophobicContact CD2-CE1 3.53Å; L273-F287 HydrophobicContact CD2-CG 4.27Å; F287-P290 HydrophobicContact CB-CG 4.29Å; F287-R292 PolarHBondContact O-NE 2.99Å; F287-R292 PolarHBondContact O-NH2 2.82Å; F287-L376 VanDerWaalsContact CD2-O 3.31Å; F287-L376 WeakPolarHBondContact CD2-O 3.26Å; F287-L376 PolarHBondContact N-O 2.86Å; F287-I378 HydrophobicContact CE2-CD1 4.22Å; F287-I378 HydrophobicContact CE2-CG1 3.93Å; F287-I378 HydrophobicContact CZ-CD1 3.66Å; F287-I378 HydrophobicContact CZ-CG1 3.82Å
288M86Confident88.5Confident12 Ų1246.2 Ų46.26%0.05924%0.239CC..  trans-105.2-5.5-175.6-63.1-52-55.900114.1F220 F230 F241 L243 W255 L274 W286F220-M288 HydrophobicContact CE1-CE 3.66Å; F220-M288 HydrophobicContact CE1-CG 4.02Å; F220-M288 HydrophobicContact CE1-SD 4.05Å; F220-M288 HydrophobicContact CZ-CE 4.25Å; F220-M288 HydrophobicContact CZ-CG 4.06Å; F230-M288 HydrophobicContact CD2-CE 3.87Å; F230-M288 HydrophobicContact CE2-CE 4.42Å; F230-M288 HydrophobicContact CG-CE 4.36Å; F241-M288 HydrophobicContact CE2-CE 3.81Å; F241-M288 HydrophobicContact CZ-CE 3.69Å; L243-M288 HydrophobicContact CD1-SD 4.01Å; W255-M288 HydrophobicContact CH2-CB 4.02Å; W255-M288 HydrophobicContact CH2-CG 4.34Å; W255-M288 HydrophobicContact CZ3-CB 3.99Å; W255-M288 HydrophobicContact CZ3-CG 3.78Å; L274-M288 HydrophobicContact CB-CG 4.1Å; W286-M288 HydrophobicContact CB-SD 4.19Å; W286-M288 PolarHBondContact O-N 3.12Å
289D71.9Confident88.1Confident61 Ų6147.7 Ų47.733%0.32625%0.249SC..SBendtrans-73.3-39.2174-57.7-51.6000114.7Y270 K271 S291Y270-D289 VanDerWaalsContact C-OD2 3.26Å; Y270-D289 WeakPolarHBondContact CA-OD2 3.32Å; Y270-D289 WeakPolarHBondContact CB-OD2 3.47Å; K271-D289 VanDerWaalsContact CB-OD1 3.26Å; K271-D289 WeakPolarHBondContact CB-OD1 3.44Å; K271-D289 PolarHBondContact N-OD1 3.42Å; K271-D289 PolarHBondContact N-OD2 2.96Å; D289-S291 PolarHBondContact O-N 3.17Å
290P64.6Low87.6Confident45 Ų4555 Ų5529%0.29228%0.282SS..SBendtrans-62.4138.6176.7-22.335.7000110.6F287 R292 L376F287-P290 HydrophobicContact CB-CG 4.29Å; P290-R292 PolarHBondContact O-N 3.3Å; P290-L376 HydrophobicContact CB-CD1 4.14Å; P290-L376 HydrophobicContact CB-CD2 4.01Å; P290-L376 HydrophobicContact CG-CD2 3.98Å
291S70.9Confident87.3Confident110 Ų11054.9 Ų54.977%0.76928%0.284SS*.  trans-59.7113.1175.159.60000110.3D289D289-S291 PolarHBondContact O-N 3.17Å
292R84.3Confident87.1Confident28 Ų2859 Ų5911%0.10631%0.305CS..  trans-92.4154.4169.8-66.6174.5-176-895.4110F241 F287 P290 P350 C351 L376F241-R292 HydrophobicContact CD1-CB 4.37Å; F241-R292 HydrophobicContact CD2-CB 4.27Å; F241-R292 HydrophobicContact CE1-CB 3.98Å; F241-R292 HydrophobicContact CE2-CB 3.91Å; F241-R292 HydrophobicContact CE2-CG 4.2Å; F241-R292 HydrophobicContact CZ-CB 3.75Å; F241-R292 HydrophobicContact CZ-CG 4.27Å; F287-R292 PolarHBondContact O-NE 2.99Å; F287-R292 PolarHBondContact O-NH2 2.82Å; P290-R292 PolarHBondContact O-N 3.3Å; R292-P350 PolarHBondContact NH1-O 3.27Å; R292-C351 CarbonylContact C-O 3.58Å; R292-C351 VanDerWaalsContact CA-O 3.26Å; R292-C351 WeakPolarHBondContact CA-O 3.41Å; R292-L376 HydrophobicContact CG-CD1 4.28Å; R292-L376 VanDerWaalsContact NH2-CB 3.28Å; R292-L376 PolarHBondContact NH2-O 2.86Å
293I84.2Confident87Confident88 Ų8855.8 Ų55.845%0.45130%0.295SS..  trans-113129.9-179.2-55.7172.7000107.3S295 C351 M352I293-S295 PolarHBondContact O-N 3.27Å; I293-C351 PolarHBondContact N-O 2.79Å; I293-M352 HydrophobicContact CB-CG 4.24Å; I293-M352 HydrophobicContact CG2-CE 4.16Å; I293-M352 WeakPolarHBondContact O-CA 3.29Å
294E86.2Confident86.8Confident92 Ų9255.8 Ų55.843%0.4330%0.295SS..PPolyproline II helixtrans-61.3131.3172.6179.1161.3-153.800110.4S240S240-E294 WeakPolarHBondContact O-CB 3.31Å; S240-E294 WeakPolarHBondContact O-CG 3.26Å; S240-E294 PolarHBondContact OG-OE1 2.87Å
295S85.7Confident86.8Confident22 Ų2259.4 Ų59.415%0.15431%0.312CS..PPolyproline II helixtrans-66.6138.7176.863.20000109.5I293I293-S295 PolarHBondContact O-N 3.27Å
296P88.9Confident86.8Confident42 Ų4261.6 Ų61.627%0.27332%0.323SS..PPolyproline II helixtrans-65.3145.7-179.228.3-36.1000111.5R333 C334 G335P296-R333 WeakPolarHBondContact CG-O 3.33Å; P296-C334 VanDerWaalsContact CG-C 3.43Å; P296-G335 VanDerWaalsContact CG-N 3.33Å
297N88.3Confident86.9Confident149 Ų14964.9 Ų64.980%0.79735%0.346SS*.PPolyproline II helixtrans-57.1145169.5-70.1-29.7000110.8S299N297-S299 PolarHBondContact O-N 2.97Å
298W90.8Very high87.1Confident140 Ų14067.5 Ų67.553%0.5337%0.365SS..PPolyproline II helixtrans-72.2123175.4-73.12000110.2H330W298-H330 HydrophobicContact CD2-CB 3.94Å; W298-H330 AromaticContact CD2-CG 3.69Å; W298-H330 AromaticContact CD2-ND1 3.8Å; W298-H330 AromaticContact CE3-CE1 3.97Å; W298-H330 AromaticContact CE3-ND1 3.73Å; W298-H330 HydrophobicContact CG-CB 3.91Å; W298-H330 AromaticContact CG-CD2 3.68Å; W298-H330 AromaticContact CG-CG 3.63Å
299S89.9Confident87.4Confident32 Ų3267.8 Ų67.822%0.22437%0.372CS..PPolyproline II helixtrans-68.9133.7171.756.50000110.5N297 H305 H330 G335 H336 A337N297-S299 PolarHBondContact O-N 2.97Å; S299-H305 PolarHBondContact OG-CE1 3.27Å; S299-H330 PolarHBondContact O-NE2 3.45Å; S299-G335 PolarHBondContact N-O 3.35Å; S299-G335 PolarHBondContact OG-O 3.1Å; S299-H336 WeakPolarHBondContact OG-CA 3.41Å; S299-A337 PolarHBondContact OG-N 3.26Å
300E88.5Confident88.4Confident192 Ų19265.2 Ų65.290%0.89736%0.359SS*.PPolyproline II helixtrans-84.5131.2166.1-65.8-176.217700109
301S91.5Very high89.7Confident25 Ų2563.1 Ų63.118%0.17535%0.345CS..  trans-161.8146.8176.11770000109.8V303 H305 F311 Q328S301-V303 VanDerWaalsContact C-N 3.3Å; S301-V303 PolarHBondContact OG-N 3.3Å; S301-V303 VanDerWaalsContact OG-N 3.16Å; S301-V303 PolarHBondContact OG-O 2.85Å; S301-H305 WeakPolarHBondContact CB-CE1 3.34Å; S301-F311 WeakPolarHBondContact O-CD2 3.44Å; S301-F311 WeakPolarHBondContact O-CE2 3.39Å; S301-Q328 PolarHBondContact O-NE2 3.05Å; S301-Q328 VanDerWaalsContact O-NE2 3.09Å
302D92.5Very high90.6Very high88 Ų8863.6 Ų63.647%0.47133%0.333SS..SBendtrans-90.12.1176.1-61.3-25.6000112.7F311 W313 N314D302-F311 VanDerWaalsContact C-CD2 3.42Å; D302-F311 PolarHBondContact O-N 2.94Å; D302-W313 PolarHBondContact OD1-NE1 2.86Å; D302-N314 HydrophobicContact CB-CB 4.07Å; D302-N314 WeakPolarHBondContact CB-ND2 3.18Å; D302-N314 WeakPolarHBondContact O-CB 3.45Å; D302-N314 PolarHBondContact O-ND2 3.16Å
303V93.7Very high90.8Very high31 Ų3167.1 Ų67.119%0.18835%0.347CS..BIsolated β-bridgetrans-139.9151.6178.4-57.50000111.3S301 H305 G309 F311 K317S301-V303 VanDerWaalsContact C-N 3.3Å; S301-V303 PolarHBondContact OG-N 3.3Å; S301-V303 VanDerWaalsContact OG-N 3.16Å; S301-V303 PolarHBondContact OG-O 2.85Å; V303-H305 PolarHBondContact O-N 2.9Å; V303-G309 CarbonylContact C-O 3.33Å; V303-G309 VanDerWaalsContact CA-O 3.32Å; V303-G309 WeakPolarHBondContact CA-O 3.13Å; V303-F311 WeakPolarHBondContact O-CE2 3.23Å; V303-K317 HydrophobicContact CG1-CD 3.63Å
304C93.7Very high91.1Very high0 Ų064.3 Ų64.30%033%0.333CS..  trans-63125.6171.8175.40000110.3I306 C307 S308 G309 F311 C339C304-I306 PolarHBondContact O-N 2.83Å; C304-I306 VanDerWaalsContact O-N 3.11Å; C304-I306 PolarHBondContact SG-N 2.81Å; C304-C307 VanDerWaalsContact SG-SG 3.64Å; C304-S308 WeakPolarHBondContact O-CA 3.38Å; C304-S308 PolarHBondContact O-N 3.26Å; C304-G309 PolarHBondContact N-O 2.69Å; C304-F311 HydrophobicContact CB-CE1 4.33Å; C304-F311 HydrophobicContact CB-CZ 4.11Å; C304-C339 HydrophobicContact CB-CB 4.17Å; C304-C339 PolarHBondContact SG-N 3.37Å; C304-C339 VanDerWaalsContact SG-N 3.35Å
305H96Very high91.1Very high79 Ų7964.6 Ų64.637%0.36634%0.34SS..THydrogen-bonded Turntrans-61.9-20.6179.5-72.590.5000114.2S299 S301 V303 H336 A337S299-H305 PolarHBondContact OG-CE1 3.27Å; S301-H305 WeakPolarHBondContact CB-CE1 3.34Å; V303-H305 PolarHBondContact O-N 2.9Å; H305-H336 HydrophobicContact CB-CB 4.14Å; H305-H336 AromaticContact CD2-CD2 3.65Å; H305-H336 AromaticContact CG-CD2 3.64Å; H305-A337 PolarHBondContact N-O 2.92Å; H305-A337 PolarHBondContact ND1-N 2.91Å; H305-A337 VanDerWaalsContact ND1-N 3.19Å; H305-A337 PolarHBondContact ND1-O 2.92Å
306I94.7Very high91.3Very high45 Ų4573.2 Ų73.223%0.23137%0.369CS..THydrogen-bonded Turntrans-94.1-53.8-176.5-62.7175.4000111.4C304 V338 C342 C361 Q363C304-I306 PolarHBondContact O-N 2.83Å; C304-I306 VanDerWaalsContact O-N 3.11Å; C304-I306 PolarHBondContact SG-N 2.81Å; I306-V338 HydrophobicContact CD1-CG1 3.7Å; I306-V338 HydrophobicContact CG1-CG1 4.05Å; I306-C342 HydrophobicContact CB-CB 3.95Å; I306-C342 HydrophobicContact CD1-CB 3.98Å; I306-C342 HydrophobicContact CG1-CB 4.49Å; I306-C342 HydrophobicContact CG2-CB 4.13Å; I306-C361 HydrophobicContact CD1-CB 3.57Å; I306-Q363 HydrophobicContact CD1-CG 4.27Å
307C94Very high91.1Very high69 Ų6974 Ų7447%0.46637%0.369SS..THydrogen-bonded Turntrans-101.6-1.8-176.469.80000114.3C304 G309 C342C304-C307 VanDerWaalsContact SG-SG 3.64Å; C307-G309 PolarHBondContact O-N 3.08Å; C307-C342 VanDerWaalsContact SG-SG 3.65Å
308S93.2Very high91.1Very high67 Ų6768.4 Ų68.447%0.46934%0.338SS..  trans59.211.7-175.2-67.70000115.4C304 K317C304-S308 WeakPolarHBondContact O-CA 3.38Å; C304-S308 PolarHBondContact O-N 3.26Å; S308-K317 PolarHBondContact O-NZ 2.93Å
309G91.2Very high91Very high19 Ų1971 Ų7120%0.19635%0.348CS..PPolyproline II helixtrans-64.4136.2176.300000111.6V303 C304 C307V303-G309 CarbonylContact C-O 3.33Å; V303-G309 VanDerWaalsContact CA-O 3.32Å; V303-G309 WeakPolarHBondContact CA-O 3.13Å; C304-G309 PolarHBondContact N-O 2.69Å; C307-G309 PolarHBondContact O-N 3.08Å
310P93.4Very high90.9Very high7 Ų774.8 Ų74.85%0.04537%0.365CS..BIsolated β-bridgetrans-70.7134-177.128.7-34.1000112.2N314 K317 M318 S323 V326P310-N314 HydrophobicContact CB-CB 4.02Å; P310-K317 HydrophobicContact CB-CB 4.03Å; P310-K317 HydrophobicContact CB-CD 4.24Å; P310-K317 HydrophobicContact CB-CG 4.18Å; P310-M318 HydrophobicContact CB-CG 3.77Å; P310-M318 HydrophobicContact CG-CB 4.46Å; P310-M318 HydrophobicContact CG-CG 3.59Å; P310-S323 WeakPolarHBondContact CG-OG 3.43Å; P310-V326 WeakPolarHBondContact O-CG2 3.39Å; P310-V326 PolarHBondContact O-N 3.29Å
311F92.7Very high90.8Very high0 Ų070 Ų700%035%0.346CS..BIsolated β-bridgetrans-71.5160.9166.8-63.6-55.3000110.6S301 D302 V303 C304 W313 N314 V326 Q328 A337 C339S301-F311 WeakPolarHBondContact O-CD2 3.44Å; S301-F311 WeakPolarHBondContact O-CE2 3.39Å; D302-F311 VanDerWaalsContact C-CD2 3.42Å; D302-F311 PolarHBondContact O-N 2.94Å; V303-F311 WeakPolarHBondContact O-CE2 3.23Å; C304-F311 HydrophobicContact CB-CE1 4.33Å; C304-F311 HydrophobicContact CB-CZ 4.11Å; F311-W313 HydrophobicContact CB-CD2 4.08Å; F311-W313 HydrophobicContact CB-CE3 4.24Å; F311-W313 HydrophobicContact CB-CH2 4.05Å; F311-W313 HydrophobicContact CB-CZ2 3.81Å; F311-W313 HydrophobicContact CB-CZ3 4.23Å; F311-W313 HydrophobicContact CD2-CZ2 4Å; F311-W313 HydrophobicContact CG-CH2 4.34Å; F311-W313 HydrophobicContact CG-CZ2 4.14Å; F311-W313 PolarHBondContact O-N 2.93Å; F311-N314 WeakPolarHBondContact O-CB 3.3Å; F311-N314 PolarHBondContact O-N 2.87Å; F311-V326 CarbonylContact C-O 3.56Å; F311-V326 VanDerWaalsContact CA-O 3.26Å; F311-V326 WeakPolarHBondContact CA-O 3.45Å; F311-V326 HydrophobicContact CD1-CG2 3.85Å; F311-V326 HydrophobicContact CE1-CG2 4.21Å; F311-Q328 HydrophobicContact CD1-CB 3.77Å; F311-Q328 HydrophobicContact CD1-CG 4.38Å; F311-Q328 HydrophobicContact CD2-CB 4.16Å; F311-Q328 HydrophobicContact CD2-CG 4.14Å; F311-Q328 VanDerWaalsContact CE1-CA 3.46Å; F311-Q328 HydrophobicContact CE1-CB 3.82Å; F311-Q328 HydrophobicContact CE1-CG 4.05Å; F311-Q328 HydrophobicContact CE2-CB 4.18Å; F311-Q328 HydrophobicContact CE2-CG 3.76Å; F311-Q328 HydrophobicContact CG-CB 3.98Å; F311-Q328 HydrophobicContact CG-CG 4.45Å; F311-Q328 HydrophobicContact CZ-CB 4.02Å; F311-Q328 HydrophobicContact CZ-CG 3.72Å; F311-A337 HydrophobicContact CE2-CB 3.88Å; F311-A337 HydrophobicContact CZ-CB 4.08Å; F311-C339 HydrophobicContact CE1-CB 4.32Å
312F90.1Very high90.5Very high121 Ų12176.8 Ų76.853%0.53138%0.377SS..THydrogen-bonded Turntrans-64.5-16.4-167.177.9-93.6000115.9M318 V326F312-M318 WeakPolarHBondContact O-CE 3.18Å; F312-V326 PolarHBondContact N-O 3.39Å
313W88.6Confident90.1Very high102 Ų10274.6 Ų74.639%0.38637%0.369SS..THydrogen-bonded Turntrans-87.9-10172.354.789.1000113.4D302 F311 V315 Q328D302-W313 PolarHBondContact OD1-NE1 2.86Å; F311-W313 HydrophobicContact CB-CD2 4.08Å; F311-W313 HydrophobicContact CB-CE3 4.24Å; F311-W313 HydrophobicContact CB-CH2 4.05Å; F311-W313 HydrophobicContact CB-CZ2 3.81Å; F311-W313 HydrophobicContact CB-CZ3 4.23Å; F311-W313 HydrophobicContact CD2-CZ2 4Å; F311-W313 HydrophobicContact CG-CH2 4.34Å; F311-W313 HydrophobicContact CG-CZ2 4.14Å; F311-W313 PolarHBondContact O-N 2.93Å; W313-V315 PolarHBondContact O-N 2.92Å; W313-Q328 HydrophobicContact CH2-CB 3.36Å; W313-Q328 HydrophobicContact CH2-CG 4.08Å; W313-Q328 HydrophobicContact CZ2-CB 4.13Å; W313-Q328 HydrophobicContact CZ2-CG 4.48Å; W313-Q328 HydrophobicContact CZ3-CB 4.13Å
314N89.5Confident89.6Confident29 Ų2979.6 Ų79.616%0.15540%0.399CS..  trans-82.963.5176.7-164-20.8000111.5D302 P310 F311 R316 K317 M318D302-N314 HydrophobicContact CB-CB 4.07Å; D302-N314 WeakPolarHBondContact CB-ND2 3.18Å; D302-N314 WeakPolarHBondContact O-CB 3.45Å; D302-N314 PolarHBondContact O-ND2 3.16Å; P310-N314 HydrophobicContact CB-CB 4.02Å; F311-N314 WeakPolarHBondContact O-CB 3.3Å; F311-N314 PolarHBondContact O-N 2.87Å; N314-R316 VanDerWaalsContact C-N 3.25Å; N314-R316 PolarHBondContact O-N 3.5Å; N314-K317 PolarHBondContact O-N 3.43Å; N314-K317 VanDerWaalsContact OD1-CB 3.23Å; N314-K317 WeakPolarHBondContact OD1-CB 3.22Å; N314-K317 PolarHBondContact OD1-N 2.85Å; N314-M318 WeakPolarHBondContact O-CG 3.4Å; N314-M318 PolarHBondContact O-N 2.87Å
315V87.3Confident89Confident97 Ų9780.7 Ų80.759%0.58841%0.41SS*.Hα-helixtrans-55.9-41-174.5-178.20000111.9W313 K317 M318 W319W313-V315 PolarHBondContact O-N 2.92Å; V315-K317 PolarHBondContact O-N 2.88Å; V315-M318 HydrophobicContact CB-CE 4.31Å; V315-M318 HydrophobicContact CG2-CE 4.05Å; V315-M318 PolarHBondContact O-N 3.41Å; V315-W319 WeakPolarHBondContact O-CB 3.26Å; V315-W319 PolarHBondContact O-N 2.92Å
316R88.6Confident88.6Confident203 Ų20379.3 Ų79.377%0.76641%0.407SS*.Hα-helixtrans-60.7-47.8-179.6-172.6177.1-176.7179.40.7112.1N314 W319 N320N314-R316 VanDerWaalsContact C-N 3.25Å; N314-R316 PolarHBondContact O-N 3.5Å; R316-W319 PolarHBondContact O-N 3.48Å; R316-N320 PolarHBondContact O-N 3.12Å; R316-N320 PolarHBondContact O-OD1 3.48Å
317K85.9Confident88.3Confident60 Ų6086.3 Ų86.326%0.26143%0.431SS..Hα-helixtrans-73.5-34.7-179-167.5175.4-170.3-1760111.9V303 S308 P310 N314 V315 N320 N321V303-K317 HydrophobicContact CG1-CD 3.63Å; S308-K317 PolarHBondContact O-NZ 2.93Å; P310-K317 HydrophobicContact CB-CB 4.03Å; P310-K317 HydrophobicContact CB-CD 4.24Å; P310-K317 HydrophobicContact CB-CG 4.18Å; N314-K317 PolarHBondContact O-N 3.43Å; N314-K317 VanDerWaalsContact OD1-CB 3.23Å; N314-K317 WeakPolarHBondContact OD1-CB 3.22Å; N314-K317 PolarHBondContact OD1-N 2.85Å; V315-K317 PolarHBondContact O-N 2.88Å; K317-N320 PolarHBondContact O-N 2.79Å; K317-N321 VanDerWaalsContact O-CB 3.27Å; K317-N321 WeakPolarHBondContact O-CB 3.28Å; K317-N321 VanDerWaalsContact O-CG 3.29Å; K317-N321 PolarHBondContact O-N 3.26Å
318M88.3Confident88.2Confident30 Ų3085.5 Ų85.515%0.14842%0.42CS..Hα-helixtrans-59.8-46.8171.9-71.6-171.4-59.600111.8P310 F312 N314 V315 N321 M322 S323 G325P310-M318 HydrophobicContact CB-CG 3.77Å; P310-M318 HydrophobicContact CG-CB 4.46Å; P310-M318 HydrophobicContact CG-CG 3.59Å; F312-M318 WeakPolarHBondContact O-CE 3.18Å; N314-M318 WeakPolarHBondContact O-CG 3.4Å; N314-M318 PolarHBondContact O-N 2.87Å; V315-M318 HydrophobicContact CB-CE 4.31Å; V315-M318 HydrophobicContact CG2-CE 4.05Å; V315-M318 PolarHBondContact O-N 3.41Å; M318-N321 CarbonylContact O-C 3.59Å; M318-N321 PolarHBondContact O-N 2.86Å; M318-M322 WeakPolarHBondContact O-CA 3.11Å; M318-M322 PolarHBondContact O-N 2.98Å; M318-S323 WeakPolarHBondContact CB-O 3.26Å; M318-S323 PolarHBondContact O-N 3.22Å; M318-G325 WeakPolarHBondContact SD-CA 3.35Å; M318-G325 PolarHBondContact SD-N 3.04Å
319W87Confident88.2Confident195 Ų19584.8 Ų84.874%0.73941%0.409SS*.Hα-helixtrans-60.9-47.8177.3-172.2-94.6000111.8V315 R316 N321 M322V315-W319 WeakPolarHBondContact O-CB 3.26Å; V315-W319 PolarHBondContact O-N 2.92Å; R316-W319 PolarHBondContact O-N 3.48Å; W319-N321 VanDerWaalsContact C-N 3.27Å; W319-N321 PolarHBondContact O-N 2.82Å; W319-M322 PolarHBondContact O-N 2.76Å
320N88.7Confident88.4Confident112 Ų11285.4 Ų85.460%0.59941%0.407SS*.Hα-helixtrans-62.6-34.5178.6-70.1-7.8000113R316 K317R316-N320 PolarHBondContact O-N 3.12Å; R316-N320 PolarHBondContact O-OD1 3.48Å; K317-N320 PolarHBondContact O-N 2.79Å
321N86.4Confident88.5Confident92 Ų9285 Ų8549%0.49241%0.405SS..Hα-helixtrans-92.9-1.1-177.7-699.4000113.1K317 M318 W319 S323K317-N321 VanDerWaalsContact O-CB 3.27Å; K317-N321 WeakPolarHBondContact O-CB 3.28Å; K317-N321 VanDerWaalsContact O-CG 3.29Å; K317-N321 PolarHBondContact O-N 3.26Å; M318-N321 CarbonylContact O-C 3.59Å; M318-N321 PolarHBondContact O-N 2.86Å; W319-N321 VanDerWaalsContact C-N 3.27Å; W319-N321 PolarHBondContact O-N 2.82Å; N321-S323 PolarHBondContact O-N 3.33Å
322M84.7Confident88.6Confident166 Ų16686.8 Ų86.882%0.81841%0.411SS*.THydrogen-bonded Turntrans47.642-170.2-62.7-67.4-72.900112M318 W319M318-M322 WeakPolarHBondContact O-CA 3.11Å; M318-M322 PolarHBondContact O-N 2.98Å; W319-M322 PolarHBondContact O-N 2.76Å
323S85Confident88.8Confident43 Ų4384 Ų8430%0.30140%0.397SS..  trans-118.3155-172.169.20000112.5P310 M318 N321P310-S323 WeakPolarHBondContact CG-OG 3.43Å; M318-S323 WeakPolarHBondContact CB-O 3.26Å; M318-S323 PolarHBondContact O-N 3.22Å; N321-S323 PolarHBondContact O-N 3.33Å
324V83.7Confident89.1Confident135 Ų13580.8 Ų80.882%0.81839%0.39SS*.PPolyproline II helixtrans-88.4138.3174.6-175.50000109.5
325G80.4Confident89.3Confident23 Ų2379.5 Ų79.524%0.23738%0.383CS..PPolyproline II helixtrans-64.1139.7179.400000113.4M318M318-G325 WeakPolarHBondContact SD-CA 3.35Å; M318-G325 PolarHBondContact SD-N 3.04Å
326V87.9Confident89.7Confident50 Ų5078.6 Ų78.630%0.30337%0.373SS..BIsolated β-bridgetrans-100.5156.2172.9-640000111.2P310 F311 F312 C339P310-V326 WeakPolarHBondContact O-CG2 3.39Å; P310-V326 PolarHBondContact O-N 3.29Å; F311-V326 CarbonylContact C-O 3.56Å; F311-V326 VanDerWaalsContact CA-O 3.26Å; F311-V326 WeakPolarHBondContact CA-O 3.45Å; F311-V326 HydrophobicContact CD1-CG2 3.85Å; F311-V326 HydrophobicContact CE1-CG2 4.21Å; F312-V326 PolarHBondContact N-O 3.39Å; V326-C339 HydrophobicContact CB-CB 4.1Å; V326-C339 HydrophobicContact CG2-CB 3.6Å
327R88.6Confident90.1Very high193 Ų19369 Ų6973%0.72834%0.336SS*.PPolyproline II helixtrans-75.2144.6172-69.3-175.1177.5-179.6-1.1110.4
328Q91.1Very high90.6Very high51 Ų5166.1 Ų66.124%0.23832%0.324CS..PPolyproline II helixtrans-82.9137172.8-171.8-172.851.300110.2S301 F311 W313 A337S301-Q328 PolarHBondContact O-NE2 3.05Å; S301-Q328 VanDerWaalsContact O-NE2 3.09Å; F311-Q328 HydrophobicContact CD1-CB 3.77Å; F311-Q328 HydrophobicContact CD1-CG 4.38Å; F311-Q328 HydrophobicContact CD2-CB 4.16Å; F311-Q328 HydrophobicContact CD2-CG 4.14Å; F311-Q328 VanDerWaalsContact CE1-CA 3.46Å; F311-Q328 HydrophobicContact CE1-CB 3.82Å; F311-Q328 HydrophobicContact CE1-CG 4.05Å; F311-Q328 HydrophobicContact CE2-CB 4.18Å; F311-Q328 HydrophobicContact CE2-CG 3.76Å; F311-Q328 HydrophobicContact CG-CB 3.98Å; F311-Q328 HydrophobicContact CG-CG 4.45Å; F311-Q328 HydrophobicContact CZ-CB 4.02Å; F311-Q328 HydrophobicContact CZ-CG 3.72Å; W313-Q328 HydrophobicContact CH2-CB 3.36Å; W313-Q328 HydrophobicContact CH2-CG 4.08Å; W313-Q328 HydrophobicContact CZ2-CB 4.13Å; W313-Q328 HydrophobicContact CZ2-CG 4.48Å; W313-Q328 HydrophobicContact CZ3-CB 4.13Å; Q328-A337 HydrophobicContact CG-CB 3.93Å
329H93.4Very high90.9Very high53 Ų5364.9 Ų64.925%0.24532%0.318CS..EExtended strand (participates in β ladder)trans-133.7166.9167-58-62.4000108.3A337 V338H329-A337 CarbonylContact O-C 3.6Å; H329-A337 WeakPolarHBondContact O-CA 3.34Å; H329-V338 CarbonylContact C-O 3.6Å; H329-V338 PolarHBondContact N-O 2.95Å; H329-V338 PolarHBondContact O-N 3.49Å
330H94.6Very high91.3Very high31 Ų3159.8 Ų59.814%0.14431%0.306CS..EExtended strand (participates in β ladder)trans-118.8141.8175.8-63.482.9000110.8W298 S299 G335 H336W298-H330 HydrophobicContact CD2-CB 3.94Å; W298-H330 AromaticContact CD2-CG 3.69Å; W298-H330 AromaticContact CD2-ND1 3.8Å; W298-H330 AromaticContact CE3-CE1 3.97Å; W298-H330 AromaticContact CE3-ND1 3.73Å; W298-H330 HydrophobicContact CG-CB 3.91Å; W298-H330 AromaticContact CG-CD2 3.68Å; W298-H330 AromaticContact CG-CG 3.63Å; S299-H330 PolarHBondContact O-NE2 3.45Å; H330-G335 PolarHBondContact CD2-O 3.01Å; H330-H336 WeakPolarHBondContact CA-O 3.33Å
331C95.9Very high91.6Very high0 Ų063.4 Ų63.40%032%0.316CS..  trans-77.5124.2169.4177.50000109.2R333 C334 G335 H336 V338 C361C331-R333 PolarHBondContact O-N 2.9Å; C331-C334 WeakPolarHBondContact CB-SG 3.47Å; C331-C334 PolarHBondContact O-N 2.57Å; C331-G335 WeakPolarHBondContact O-CA 3.43Å; C331-G335 PolarHBondContact O-N 3.03Å; C331-H336 PolarHBondContact N-O 3.48Å; C331-H336 VanDerWaalsContact N-O 3.08Å; C331-V338 HydrophobicContact CB-CG2 4.46Å; C331-C361 HydrophobicContact CB-CB 3.88Å; C331-C361 PolarHBondContact SG-N 2.83Å; C331-C361 VanDerWaalsContact SG-SG 3.61Å
332R94.2Very high92.1Very high36 Ų3659.7 Ų59.714%0.13630%0.297CS..THydrogen-bonded Turntrans-69.6-20.3-175.5-150.466.5160.8139.1-6.3113.9E242 F354 V358 R359 I360E242-R332 IonicContact OE2-CZ 2.91Å; E242-R332 IonicContact OE2-NH2 2.85Å; E242-R332 PolarHBondContact OE2-NH2 3.15Å; R332-F354 HydrophobicContact CB-CE2 4.48Å; R332-F354 HydrophobicContact CG-CD1 4.35Å; R332-F354 HydrophobicContact CG-CD2 3.74Å; R332-F354 HydrophobicContact CG-CE1 4Å; R332-F354 HydrophobicContact CG-CE2 3.29Å; R332-F354 HydrophobicContact CG-CG 4.26Å; R332-F354 HydrophobicContact CG-CZ 3.46Å; R332-F354 VanDerWaalsContact CG-CZ 3.46Å; R332-F354 VanDerWaalsContact CZ-CE1 3.47Å; R332-F354 VanDerWaalsContact CZ-CZ 3.4Å; R332-F354 VanDerWaalsContact NH2-CE1 3.3Å; R332-V358 HydrophobicContact CB-CB 3.9Å; R332-V358 HydrophobicContact CB-CG2 3.69Å; R332-V358 HydrophobicContact CG-CB 3.99Å; R332-V358 HydrophobicContact CG-CG1 4.28Å; R332-V358 HydrophobicContact CG-CG2 3.9Å; R332-R359 PolarHBondContact N-O 2.99Å; R332-I360 HydrophobicContact CB-CD1 4.31Å
333R94.4Very high92.6Very high62 Ų6251.8 Ų51.823%0.23426%0.258CS..THydrogen-bonded Turntrans-84.1-35.7177.8-173.2172.9179.6179.18.8114.3P296 C331 L349 M352 I360 C364 L367 I368P296-R333 WeakPolarHBondContact CG-O 3.33Å; C331-R333 PolarHBondContact O-N 2.9Å; R333-L349 HydrophobicContact CB-CD1 3.96Å; R333-L349 HydrophobicContact CG-CD1 4.46Å; R333-M352 HydrophobicContact CG-CE 4.15Å; R333-M352 HydrophobicContact CG-SD 4.29Å; R333-I360 HydrophobicContact CB-CD1 4.17Å; R333-C364 HydrophobicContact CB-CB 4.25Å; R333-C364 PolarHBondContact NH1-O 3.47Å; R333-C364 VanDerWaalsContact NH1-O 3.08Å; R333-L367 VanDerWaalsContact NH1-CB 3.26Å; R333-L367 PolarHBondContact NH1-O 3.11Å; R333-L367 PolarHBondContact NH2-O 2.78Å; R333-L367 VanDerWaalsContact NH2-O 3.1Å; R333-I368 VanDerWaalsContact NH1-N 3.11Å
334C94.6Very high93.1Very high35 Ų3553.4 Ų53.424%0.23627%0.268CS..THydrogen-bonded Turntrans-120.9-5.3-173.466.20000114.9P296 C331 H336 C364P296-C334 VanDerWaalsContact CG-C 3.43Å; C331-C334 WeakPolarHBondContact CB-SG 3.47Å; C331-C334 PolarHBondContact O-N 2.57Å; C334-H336 PolarHBondContact O-N 2.93Å; C334-H336 VanDerWaalsContact O-N 3.1Å; C334-H336 PolarHBondContact SG-ND1 2.97Å; C334-C364 PolarHBondContact SG-SG 3.38Å
335G94.8Very high93.8Very high2 Ų251.8 Ų51.82%0.02125%0.248CC..  trans72.9-3.2177.900000114.8P296 S299 H330 C331 A337P296-G335 VanDerWaalsContact CG-N 3.33Å; S299-G335 PolarHBondContact N-O 3.35Å; S299-G335 PolarHBondContact OG-O 3.1Å; H330-G335 PolarHBondContact CD2-O 3.01Å; C331-G335 WeakPolarHBondContact O-CA 3.43Å; C331-G335 PolarHBondContact O-N 3.03Å; G335-A337 PolarHBondContact O-N 2.93Å
336H96.5Very high94.5Very high79 Ų7957.1 Ų57.137%0.36626%0.261SS..  trans-64.7135.5-179.5-72.8105.7000112.6S299 H305 H330 C331 C334 V338S299-H336 WeakPolarHBondContact OG-CA 3.41Å; H305-H336 HydrophobicContact CB-CB 4.14Å; H305-H336 AromaticContact CD2-CD2 3.65Å; H305-H336 AromaticContact CG-CD2 3.64Å; H330-H336 WeakPolarHBondContact CA-O 3.33Å; C331-H336 PolarHBondContact N-O 3.48Å; C331-H336 VanDerWaalsContact N-O 3.08Å; C334-H336 PolarHBondContact O-N 2.93Å; C334-H336 VanDerWaalsContact O-N 3.1Å; C334-H336 PolarHBondContact SG-ND1 2.97Å; H336-V338 HydrophobicContact CB-CG1 4.22Å; H336-V338 PolarHBondContact O-N 2.7Å
337A96.1Very high94.9Very high0 Ų055 Ų550%025%0.248CC..EExtended strand (participates in β ladder)trans-69.2118.1167.100000110.1S299 H305 F311 Q328 H329 G335S299-A337 PolarHBondContact OG-N 3.26Å; H305-A337 PolarHBondContact N-O 2.92Å; H305-A337 PolarHBondContact ND1-N 2.91Å; H305-A337 VanDerWaalsContact ND1-N 3.19Å; H305-A337 PolarHBondContact ND1-O 2.92Å; F311-A337 HydrophobicContact CE2-CB 3.88Å; F311-A337 HydrophobicContact CZ-CB 4.08Å; Q328-A337 HydrophobicContact CG-CB 3.93Å; H329-A337 CarbonylContact O-C 3.6Å; H329-A337 WeakPolarHBondContact O-CA 3.34Å; G335-A337 PolarHBondContact O-N 2.93Å
338V96.5Very high95.1Very high0 Ų047.6 Ų47.60%022%0.223CC..EExtended strand (participates in β ladder)trans-134.1148.6-172.5-68.50000110.7I306 H329 C331 H336 C361I306-V338 HydrophobicContact CD1-CG1 3.7Å; I306-V338 HydrophobicContact CG1-CG1 4.05Å; H329-V338 CarbonylContact C-O 3.6Å; H329-V338 PolarHBondContact N-O 2.95Å; H329-V338 PolarHBondContact O-N 3.49Å; C331-V338 HydrophobicContact CB-CG2 4.46Å; H336-V338 HydrophobicContact CB-CG1 4.22Å; H336-V338 PolarHBondContact O-N 2.7Å; V338-C361 HydrophobicContact CG1-CB 4.13Å
339C94.9Very high95.3Very high5 Ų545.2 Ų45.23%0.03421%0.212CC..  trans-81.8166.217173.90000111C304 F311 V326 K341 C342 S343C304-C339 HydrophobicContact CB-CB 4.17Å; C304-C339 PolarHBondContact SG-N 3.37Å; C304-C339 VanDerWaalsContact SG-N 3.35Å; F311-C339 HydrophobicContact CE1-CB 4.32Å; V326-C339 HydrophobicContact CB-CB 4.1Å; V326-C339 HydrophobicContact CG2-CB 3.6Å; C339-K341 VanDerWaalsContact C-N 3.33Å; C339-K341 PolarHBondContact O-N 2.99Å; C339-C342 PolarHBondContact O-N 2.83Å; C339-C342 VanDerWaalsContact O-N 3.09Å; C339-S343 PolarHBondContact O-N 3.32Å; C339-S343 PolarHBondContact O-OG 3.16Å
340D94.4Very high95.2Very high88 Ų8842.7 Ų42.747%0.47120%0.2SC..G310 helixtrans-58.6-41.9-178-166.159.8000112.6C342 S343 R359D340-C342 VanDerWaalsContact C-N 3.27Å; D340-C342 PolarHBondContact O-N 3.31Å; D340-S343 CarbonylContact O-C 3.58Å; D340-S343 PolarHBondContact O-N 2.88Å; D340-R359 IonicContact OD1-CZ 3.4Å; D340-R359 VanDerWaalsContact OD1-CZ 3.28Å; D340-R359 IonicContact OD1-NH1 3.97Å; D340-R359 PolarHBondContact OD1-NH1 3.25Å; D340-R359 IonicContact OD1-NH2 3.95Å; D340-R359 PolarHBondContact OD1-NH2 3.01Å
341K94.8Very high95Very high188 Ų18842.1 Ų42.182%0.81720%0.199SC*.G310 helixtrans-60-33.4176.3-66.3-177.2179.3179.60113.6C339 S343C339-K341 VanDerWaalsContact C-N 3.33Å; C339-K341 PolarHBondContact O-N 2.99Å; K341-S343 VanDerWaalsContact C-N 3.32Å
342C96.9Very high94.8Very high14 Ų1443 Ų4310%0.09520%0.203CC..G310 helixtrans-89.60.3179.2-64.70000113I306 C307 C339 D340 C361 S362I306-C342 HydrophobicContact CB-CB 3.95Å; I306-C342 HydrophobicContact CD1-CB 3.98Å; I306-C342 HydrophobicContact CG1-CB 4.49Å; I306-C342 HydrophobicContact CG2-CB 4.13Å; C307-C342 VanDerWaalsContact SG-SG 3.65Å; C339-C342 PolarHBondContact O-N 2.83Å; C339-C342 VanDerWaalsContact O-N 3.09Å; D340-C342 VanDerWaalsContact C-N 3.27Å; D340-C342 PolarHBondContact O-N 3.31Å; C342-C361 WeakPolarHBondContact O-CA 3.31Å; C342-C361 WeakPolarHBondContact O-CB 3.42Å; C342-S362 PolarHBondContact O-N 3.32Å; C342-S362 PolarHBondContact O-OG 2.91Å
343S95.7Very high94.7Very high0 Ų041.3 Ų41.30%020%0.197CC..  trans-138.254.5179.257.60000113.4C339 D340 K341 Y345 R359 I360C339-S343 PolarHBondContact O-N 3.32Å; C339-S343 PolarHBondContact O-OG 3.16Å; D340-S343 CarbonylContact O-C 3.58Å; D340-S343 PolarHBondContact O-N 2.88Å; K341-S343 VanDerWaalsContact C-N 3.32Å; S343-Y345 VanDerWaalsContact C-N 3.26Å; S343-Y345 PolarHBondContact O-N 3.22Å; S343-R359 PolarHBondContact O-NH1 2.83Å; S343-R359 WeakPolarHBondContact OG-CD 3.08Å; S343-R359 PolarHBondContact OG-NH1 2.52Å; S343-I360 WeakPolarHBondContact CA-O 3.39Å
344P95.9Very high94.6Very high77 Ų7738.3 Ų38.350%0.519%0.186SC..  trans-76.4-14.4-175.633.9-36.9000113.3
345Y97.2Very high94.5Very high101 Ų10138.1 Ų38.140%0.39618%0.182SC..EExtended strand (participates in β ladder)trans-93.4151.3-171.2-55.9-70000112.2S343 I360 F365S343-Y345 VanDerWaalsContact C-N 3.26Å; S343-Y345 PolarHBondContact O-N 3.22Å; Y345-I360 PolarHBondContact O-N 3.11Å; Y345-F365 VanDerWaalsContact CB-CD2 3.42Å; Y345-F365 AromaticContact CD1-CD1 3.74Å; Y345-F365 HydrophobicContact CD1-CD1 3.74Å; Y345-F365 HydrophobicContact CD1-CD2 4.46Å; Y345-F365 AromaticContact CD1-CE1 3.78Å; Y345-F365 HydrophobicContact CD1-CE1 3.78Å; Y345-F365 HydrophobicContact CD1-CE2 4.48Å; Y345-F365 HydrophobicContact CD1-CG 4.09Å; Y345-F365 HydrophobicContact CD1-CZ 4.16Å; Y345-F365 HydrophobicContact CD2-CB 3.63Å; Y345-F365 AromaticContact CD2-CD1 3.92Å; Y345-F365 HydrophobicContact CD2-CD1 3.92Å; Y345-F365 AromaticContact CD2-CG 3.79Å; Y345-F365 HydrophobicContact CD2-CG 3.79Å; Y345-F365 HydrophobicContact CE1-CD1 4.12Å; Y345-F365 HydrophobicContact CE1-CE1 4.18Å; Y345-F365 HydrophobicContact CE2-CB 4.38Å; Y345-F365 HydrophobicContact CE2-CD1 4.28Å; Y345-F365 HydrophobicContact CG-CB 3.87Å; Y345-F365 AromaticContact CG-CD1 3.64Å; Y345-F365 HydrophobicContact CG-CD1 3.64Å; Y345-F365 AromaticContact CG-CD2 3.93Å; Y345-F365 HydrophobicContact CG-CD2 3.93Å; Y345-F365 HydrophobicContact CG-CE1 4.11Å; Y345-F365 HydrophobicContact CG-CE2 4.35Å; Y345-F365 AromaticContact CG-CG 3.53Å; Y345-F365 HydrophobicContact CG-CG 3.53Å; Y345-F365 HydrophobicContact CG-CZ 4.43Å
346R96.7Very high94.4Very high135 Ų13542.6 Ų42.651%0.50920%0.2SC..EExtended strand (participates in β ladder)trans-127147.6166.2-53.1-163.9-172.6-76.2-3.7110.3D357 V358R346-D357 HydrophobicContact CB-CB 4.03Å; R346-V358 WeakPolarHBondContact CA-O 3.37Å
347S95.6Very high94.2Very high5 Ų544 Ų444%0.03521%0.21CC..EExtended strand (participates in β ladder)trans-156147.2174.2-171.30000108V358 R373S347-V358 PolarHBondContact N-O 2.82Å; S347-V358 VanDerWaalsContact N-O 3.15Å; S347-V358 VanDerWaalsContact O-CG2 3.25Å; S347-V358 WeakPolarHBondContact O-CG2 3.29Å; S347-V358 PolarHBondContact O-N 2.84Å; S347-R373 PolarHBondContact OG-NE 3Å; S347-R373 VanDerWaalsContact OG-NE 3.12Å
348N93.8Very high94.2Very high37 Ų3744.7 Ų44.720%0.19822%0.215CC..EExtended strand (participates in β ladder)trans-67.3151.216066.5-10000109.9D357 R373N348-D357 PolarHBondContact N-OD1 2.92Å; N348-R373 PolarHBondContact ND2-O 3.44Å; N348-R373 WeakPolarHBondContact OD1-CB 3.26Å; N348-R373 WeakPolarHBondContact OD1-CG 3.37Å
349L93.8Very high94.2Very high2 Ų246.5 Ų46.51%0.0122%0.222CC..EExtended strand (participates in β ladder)trans-14268.1174.5-72.1175.1000109.5R333 C351 M352 G353 F354 V358 I360 I368 D372R333-L349 HydrophobicContact CB-CD1 3.96Å; R333-L349 HydrophobicContact CG-CD1 4.46Å; L349-C351 PolarHBondContact O-N 2.94Å; L349-C351 VanDerWaalsContact O-N 3.15Å; L349-M352 HydrophobicContact CB-CB 4.31Å; L349-M352 HydrophobicContact CD1-SD 4.06Å; L349-M352 CarbonylContact O-C 3.53Å; L349-M352 WeakPolarHBondContact O-CA 3.25Å; L349-M352 PolarHBondContact O-N 3.3Å; L349-G353 PolarHBondContact O-N 2.9Å; L349-F354 CarbonylContact C-O 3.56Å; L349-F354 HydrophobicContact CB-CB 4.34Å; L349-F354 HydrophobicContact CB-CD2 4.13Å; L349-F354 PolarHBondContact N-O 2.83Å; L349-F354 PolarHBondContact O-N 3.42Å; L349-V358 HydrophobicContact CD1-CG2 4.49Å; L349-I360 HydrophobicContact CD1-CD1 3.54Å; L349-I360 HydrophobicContact CG-CD1 4.41Å; L349-I368 HydrophobicContact CD2-CD1 3.94Å; L349-I368 HydrophobicContact CD2-CG1 4.17Å; L349-I368 HydrophobicContact CD2-CG2 3.99Å; L349-D372 HydrophobicContact CD2-CB 4.16Å
350P91.9Very high94.3Very high0 Ų046.3 Ų46.30%022%0.22CC..G310 helixtrans-52.4-33.6179.6-33.638.9000115R292 M352 G353 F354 E355 D372 K374 L376R292-P350 PolarHBondContact NH1-O 3.27Å; P350-M352 PolarHBondContact O-N 3.25Å; P350-G353 WeakPolarHBondContact O-CA 3.28Å; P350-G353 PolarHBondContact O-N 2.87Å; P350-F354 WeakPolarHBondContact CD-O 3.43Å; P350-E355 WeakPolarHBondContact CB-OE1 3.4Å; P350-E355 WeakPolarHBondContact CG-OE2 3.36Å; P350-D372 VanDerWaalsContact CD-O 3.28Å; P350-D372 WeakPolarHBondContact CD-O 3.4Å; P350-K374 VanDerWaalsContact CB-O 3.27Å; P350-K374 WeakPolarHBondContact CB-O 3.49Å; P350-L376 HydrophobicContact CB-CB 4.22Å; P350-L376 HydrophobicContact CB-CD1 4.48Å; P350-L376 HydrophobicContact CB-CG 3.97Å
351C90Very high94.4Very high18 Ų1842.1 Ų42.112%0.12220%0.198CC..G310 helixtrans-61.5-25.4175.763.20000113.1R292 I293 L349R292-C351 CarbonylContact C-O 3.58Å; R292-C351 VanDerWaalsContact CA-O 3.26Å; R292-C351 WeakPolarHBondContact CA-O 3.41Å; I293-C351 PolarHBondContact N-O 2.79Å; L349-C351 PolarHBondContact O-N 2.94Å; L349-C351 VanDerWaalsContact O-N 3.15Å
352M91.9Very high94.5Very high19 Ų1935.3 Ų35.39%0.09417%0.174CC..G310 helixtrans-10211.3172.4-65.9179.1158.800112.7I293 R333 L349 P350 F354I293-M352 HydrophobicContact CB-CG 4.24Å; I293-M352 HydrophobicContact CG2-CE 4.16Å; I293-M352 WeakPolarHBondContact O-CA 3.29Å; R333-M352 HydrophobicContact CG-CE 4.15Å; R333-M352 HydrophobicContact CG-SD 4.29Å; L349-M352 HydrophobicContact CB-CB 4.31Å; L349-M352 HydrophobicContact CD1-SD 4.06Å; L349-M352 CarbonylContact O-C 3.53Å; L349-M352 WeakPolarHBondContact O-CA 3.25Å; L349-M352 PolarHBondContact O-N 3.3Å; P350-M352 PolarHBondContact O-N 3.25Å; M352-F354 HydrophobicContact CB-CD2 3.8Å; M352-F354 HydrophobicContact CB-CE2 3.74Å; M352-F354 VanDerWaalsContact O-CE2 3.24Å; M352-F354 WeakPolarHBondContact O-CE2 3.48Å
353G91.5Very high94.5Very high0 Ų040.4 Ų40.40%020%0.196CC..THydrogen-bonded Turntrans86.56.9177.300000116.1E242 Q244 L349 P350E242-G353 VanDerWaalsContact O-CA 3.32Å; E242-G353 WeakPolarHBondContact O-CA 3.46Å; Q244-G353 PolarHBondContact N-O 2.95Å; L349-G353 PolarHBondContact O-N 2.9Å; P350-G353 WeakPolarHBondContact O-CA 3.28Å; P350-G353 PolarHBondContact O-N 2.87Å
354F93.2Very high94.5Very high0 Ų041.1 Ų41.10%020%0.201CC..EExtended strand (participates in β ladder)trans-99.595.2-179.6-53.3-63.5000111.5Q244 R332 L349 P350 M352 K356 V358Q244-F354 HydrophobicContact CB-CD1 4.05Å; Q244-F354 HydrophobicContact CG-CD1 4.04Å; Q244-F354 HydrophobicContact CG-CE1 4.02Å; Q244-F354 VanDerWaalsContact OE1-CD1 3.28Å; R332-F354 HydrophobicContact CB-CE2 4.48Å; R332-F354 HydrophobicContact CG-CD1 4.35Å; R332-F354 HydrophobicContact CG-CD2 3.74Å; R332-F354 HydrophobicContact CG-CE1 4Å; R332-F354 HydrophobicContact CG-CE2 3.29Å; R332-F354 HydrophobicContact CG-CG 4.26Å; R332-F354 HydrophobicContact CG-CZ 3.46Å; R332-F354 VanDerWaalsContact CG-CZ 3.46Å; R332-F354 VanDerWaalsContact CZ-CE1 3.47Å; R332-F354 VanDerWaalsContact CZ-CZ 3.4Å; R332-F354 VanDerWaalsContact NH2-CE1 3.3Å; L349-F354 CarbonylContact C-O 3.56Å; L349-F354 HydrophobicContact CB-CB 4.34Å; L349-F354 HydrophobicContact CB-CD2 4.13Å; L349-F354 PolarHBondContact N-O 2.83Å; L349-F354 PolarHBondContact O-N 3.42Å; P350-F354 WeakPolarHBondContact CD-O 3.43Å; M352-F354 HydrophobicContact CB-CD2 3.8Å; M352-F354 HydrophobicContact CB-CE2 3.74Å; M352-F354 VanDerWaalsContact O-CE2 3.24Å; M352-F354 WeakPolarHBondContact O-CE2 3.48Å; F354-K356 VanDerWaalsContact C-N 3.31Å; F354-V358 HydrophobicContact CB-CG1 3.87Å; F354-V358 HydrophobicContact CB-CG2 3.95Å; F354-V358 HydrophobicContact CD1-CG1 3.76Å; F354-V358 HydrophobicContact CD2-CG2 4.15Å; F354-V358 HydrophobicContact CG-CG1 3.79Å; F354-V358 HydrophobicContact CG-CG2 3.99Å
355E93Very high94.6Very high31 Ų3140.1 Ų40.115%0.14519%0.189CC..EExtended strand (participates in β ladder)trans-76.2-23174.6-68.3-63.8163.800112.3Q244 W286 P350 S375 L376 A377Q244-E355 PolarHBondContact O-N 3.01Å; Q244-E355 VanDerWaalsContact O-N 3.14Å; W286-E355 HydrophobicContact CZ3-CG 3.86Å; P350-E355 WeakPolarHBondContact CB-OE1 3.4Å; P350-E355 WeakPolarHBondContact CG-OE2 3.36Å; E355-S375 PolarHBondContact OE2-OG 3.05Å; E355-S375 VanDerWaalsContact OE2-OG 3.11Å; E355-L376 WeakPolarHBondContact OE1-CA 3.42Å; E355-L376 PolarHBondContact OE1-N 3.18Å; E355-A377 HydrophobicContact CG-CB 3.99Å; E355-A377 PolarHBondContact OE1-N 3.34Å; E355-A377 VanDerWaalsContact OE1-N 3.17Å
356K91.8Very high94.5Very high96 Ų9640 Ų4042%0.41720%0.201SC..EExtended strand (participates in β ladder)trans-97158.9173.6-69.1177.6178.6163.60111.6G245 H246 F354 V358G245-K356 WeakPolarHBondContact O-CE 3.2Å; G245-K356 PolarHBondContact O-NZ 2.8Å; H246-K356 PolarHBondContact O-NZ 2.85Å; F354-K356 VanDerWaalsContact C-N 3.31Å; K356-V358 PolarHBondContact O-N 2.8Å
357D93.6Very high94.5Very high108 Ų10839 Ų3958%0.57820%0.204SC*.EExtended strand (participates in β ladder)trans-62.4119.4177.9-82.1-10.6000112.4R346 N348R346-D357 HydrophobicContact CB-CB 4.03Å; N348-D357 PolarHBondContact N-OD1 2.92Å
358V94.5Very high94.4Very high15 Ų1539.2 Ų39.29%0.09121%0.205CC..EExtended strand (participates in β ladder)trans-112.7160.4177.2-70.10000111.3R332 R346 S347 L349 F354 K356 I360R332-V358 HydrophobicContact CB-CB 3.9Å; R332-V358 HydrophobicContact CB-CG2 3.69Å; R332-V358 HydrophobicContact CG-CB 3.99Å; R332-V358 HydrophobicContact CG-CG1 4.28Å; R332-V358 HydrophobicContact CG-CG2 3.9Å; R346-V358 WeakPolarHBondContact CA-O 3.37Å; S347-V358 PolarHBondContact N-O 2.82Å; S347-V358 VanDerWaalsContact N-O 3.15Å; S347-V358 VanDerWaalsContact O-CG2 3.25Å; S347-V358 WeakPolarHBondContact O-CG2 3.29Å; S347-V358 PolarHBondContact O-N 2.84Å; L349-V358 HydrophobicContact CD1-CG2 4.49Å; F354-V358 HydrophobicContact CB-CG1 3.87Å; F354-V358 HydrophobicContact CB-CG2 3.95Å; F354-V358 HydrophobicContact CD1-CG1 3.76Å; F354-V358 HydrophobicContact CD2-CG2 4.15Å; F354-V358 HydrophobicContact CG-CG1 3.79Å; F354-V358 HydrophobicContact CG-CG2 3.99Å; K356-V358 PolarHBondContact O-N 2.8Å; V358-I360 HydrophobicContact CG2-CD1 4.23Å; V358-I360 PolarHBondContact O-N 3.04Å
359R96.2Very high94.4Very high38 Ų3840.5 Ų40.514%0.14322%0.215CC..EExtended strand (participates in β ladder)trans-71.2127.8-177.5-176.9-178.4-76-8513.6111.3R332 D340 S343R332-R359 PolarHBondContact N-O 2.99Å; D340-R359 IonicContact OD1-CZ 3.4Å; D340-R359 VanDerWaalsContact OD1-CZ 3.28Å; D340-R359 IonicContact OD1-NH1 3.97Å; D340-R359 PolarHBondContact OD1-NH1 3.25Å; D340-R359 IonicContact OD1-NH2 3.95Å; D340-R359 PolarHBondContact OD1-NH2 3.01Å; S343-R359 PolarHBondContact O-NH1 2.83Å; S343-R359 WeakPolarHBondContact OG-CD 3.08Å; S343-R359 PolarHBondContact OG-NH1 2.52Å
360I97.3Very high94.2Very high0 Ų046.5 Ų46.50%025%0.247CC..EExtended strand (participates in β ladder)trans-124.3136.9178.5-52.6-62.2000110.2R332 R333 S343 Y345 L349 V358 C364 F365 I368R332-I360 HydrophobicContact CB-CD1 4.31Å; R333-I360 HydrophobicContact CB-CD1 4.17Å; S343-I360 WeakPolarHBondContact CA-O 3.39Å; Y345-I360 PolarHBondContact O-N 3.11Å; L349-I360 HydrophobicContact CD1-CD1 3.54Å; L349-I360 HydrophobicContact CG-CD1 4.41Å; V358-I360 HydrophobicContact CG2-CD1 4.23Å; V358-I360 PolarHBondContact O-N 3.04Å; I360-C364 HydrophobicContact CG2-CB 3.67Å; I360-F365 HydrophobicContact CB-CB 4.47Å; I360-F365 HydrophobicContact CB-CD2 4.46Å; I360-F365 HydrophobicContact CG2-CB 3.82Å; I360-F365 HydrophobicContact CG2-CD2 4.46Å; I360-I368 HydrophobicContact CB-CD1 4.45Å; I360-I368 HydrophobicContact CD1-CD1 4.26Å; I360-I368 HydrophobicContact CG1-CD1 3.94Å; I360-I368 HydrophobicContact CG2-CD1 3.88Å
361C97.2Very high94.1Very high1 Ų150.9 Ų50.91%0.00728%0.277CS..  trans-73.5159.1176.2740000112.8I306 C331 V338 C342 Q363 C364 F365I306-C361 HydrophobicContact CD1-CB 3.57Å; C331-C361 HydrophobicContact CB-CB 3.88Å; C331-C361 PolarHBondContact SG-N 2.83Å; C331-C361 VanDerWaalsContact SG-SG 3.61Å; V338-C361 HydrophobicContact CG1-CB 4.13Å; C342-C361 WeakPolarHBondContact O-CA 3.31Å; C342-C361 WeakPolarHBondContact O-CB 3.42Å; C361-Q363 PolarHBondContact O-N 2.86Å; C361-C364 PolarHBondContact O-N 3.42Å; C361-C364 VanDerWaalsContact O-N 3.11Å; C361-C364 VanDerWaalsContact SG-CB 3.59Å; C361-C364 PolarHBondContact SG-N 3.07Å; C361-F365 PolarHBondContact O-N 2.71Å
362S97Very high94.1Very high45 Ų4551.7 Ų51.732%0.31528%0.28SS..THydrogen-bonded Turntrans-60-26.3-179.255.80000114.3C342 P366C342-S362 PolarHBondContact O-N 3.32Å; C342-S362 PolarHBondContact O-OG 2.91Å; S362-P366 WeakPolarHBondContact O-CD 3.41Å
363Q96.5Very high94.1Very high121 Ų12154.1 Ų54.157%0.56529%0.289SS*.THydrogen-bonded Turntrans-79.3-34.3176.3-66.9178.4-1600112.7I306 C361I306-Q363 HydrophobicContact CD1-CG 4.27Å; C361-Q363 PolarHBondContact O-N 2.86Å
364C96.7Very high94Very high14 Ų1460.6 Ų60.610%0.09532%0.317CS..THydrogen-bonded Turntrans-86.2-30.2-176.4-75.80000113.7R333 C334 I360 C361 L367R333-C364 HydrophobicContact CB-CB 4.25Å; R333-C364 PolarHBondContact NH1-O 3.47Å; R333-C364 VanDerWaalsContact NH1-O 3.08Å; C334-C364 PolarHBondContact SG-SG 3.38Å; I360-C364 HydrophobicContact CG2-CB 3.67Å; C361-C364 PolarHBondContact O-N 3.42Å; C361-C364 VanDerWaalsContact O-N 3.11Å; C361-C364 VanDerWaalsContact SG-CB 3.59Å; C361-C364 PolarHBondContact SG-N 3.07Å; C364-L367 WeakPolarHBondContact O-CB 3.44Å; C364-L367 PolarHBondContact O-N 3.13Å
365F96.9Very high93.8Very high57 Ų5763.3 Ų63.325%0.2534%0.335CS..G310 helixtrans-61.1-44.4-174.7-177-100.9000113.8Y345 I360 C361 L367 I368Y345-F365 VanDerWaalsContact CB-CD2 3.42Å; Y345-F365 AromaticContact CD1-CD1 3.74Å; Y345-F365 HydrophobicContact CD1-CD1 3.74Å; Y345-F365 HydrophobicContact CD1-CD2 4.46Å; Y345-F365 AromaticContact CD1-CE1 3.78Å; Y345-F365 HydrophobicContact CD1-CE1 3.78Å; Y345-F365 HydrophobicContact CD1-CE2 4.48Å; Y345-F365 HydrophobicContact CD1-CG 4.09Å; Y345-F365 HydrophobicContact CD1-CZ 4.16Å; Y345-F365 HydrophobicContact CD2-CB 3.63Å; Y345-F365 AromaticContact CD2-CD1 3.92Å; Y345-F365 HydrophobicContact CD2-CD1 3.92Å; Y345-F365 AromaticContact CD2-CG 3.79Å; Y345-F365 HydrophobicContact CD2-CG 3.79Å; Y345-F365 HydrophobicContact CE1-CD1 4.12Å; Y345-F365 HydrophobicContact CE1-CE1 4.18Å; Y345-F365 HydrophobicContact CE2-CB 4.38Å; Y345-F365 HydrophobicContact CE2-CD1 4.28Å; Y345-F365 HydrophobicContact CG-CB 3.87Å; Y345-F365 AromaticContact CG-CD1 3.64Å; Y345-F365 HydrophobicContact CG-CD1 3.64Å; Y345-F365 AromaticContact CG-CD2 3.93Å; Y345-F365 HydrophobicContact CG-CD2 3.93Å; Y345-F365 HydrophobicContact CG-CE1 4.11Å; Y345-F365 HydrophobicContact CG-CE2 4.35Å; Y345-F365 AromaticContact CG-CG 3.53Å; Y345-F365 HydrophobicContact CG-CG 3.53Å; Y345-F365 HydrophobicContact CG-CZ 4.43Å; I360-F365 HydrophobicContact CB-CB 4.47Å; I360-F365 HydrophobicContact CB-CD2 4.46Å; I360-F365 HydrophobicContact CG2-CB 3.82Å; I360-F365 HydrophobicContact CG2-CD2 4.46Å; C361-F365 PolarHBondContact O-N 2.71Å; F365-L367 PolarHBondContact O-N 3.14Å; F365-L367 VanDerWaalsContact O-N 3.17Å; F365-I368 HydrophobicContact CD2-CD1 4.29Å; F365-I368 PolarHBondContact O-N 3.24Å; F365-I368 VanDerWaalsContact O-N 3.11Å
366P96.3Very high93.7Very high99 Ų9962.8 Ų62.864%0.64333%0.334SS*.G310 helixtrans-64.2-20.3177.7-21.934.6000114S362 I368S362-P366 WeakPolarHBondContact O-CD 3.41Å; P366-I368 VanDerWaalsContact C-N 3.33Å
367L95.5Very high93.7Very high112 Ų11258.6 Ų58.659%0.58632%0.317SS*.G310 helixtrans-86.5-4179.7-58.6175.2000112.3R333 C364 F365R333-L367 VanDerWaalsContact NH1-CB 3.26Å; R333-L367 PolarHBondContact NH1-O 3.11Å; R333-L367 PolarHBondContact NH2-O 2.78Å; R333-L367 VanDerWaalsContact NH2-O 3.1Å; C364-L367 WeakPolarHBondContact O-CB 3.44Å; C364-L367 PolarHBondContact O-N 3.13Å; F365-L367 PolarHBondContact O-N 3.14Å; F365-L367 VanDerWaalsContact O-N 3.17Å
368I94.4Very high93.6Very high11 Ų1155 Ų556%0.05630%0.297CS..  trans-82.5121.6-177.8-63.1176000108.3R333 L349 I360 F365 P366 D372 R373R333-I368 VanDerWaalsContact NH1-N 3.11Å; L349-I368 HydrophobicContact CD2-CD1 3.94Å; L349-I368 HydrophobicContact CD2-CG1 4.17Å; L349-I368 HydrophobicContact CD2-CG2 3.99Å; I360-I368 HydrophobicContact CB-CD1 4.45Å; I360-I368 HydrophobicContact CD1-CD1 4.26Å; I360-I368 HydrophobicContact CG1-CD1 3.94Å; I360-I368 HydrophobicContact CG2-CD1 3.88Å; F365-I368 HydrophobicContact CD2-CD1 4.29Å; F365-I368 PolarHBondContact O-N 3.24Å; F365-I368 VanDerWaalsContact O-N 3.11Å; P366-I368 VanDerWaalsContact C-N 3.33Å; I368-D372 HydrophobicContact CG2-CB 3.97Å; I368-R373 HydrophobicContact CG2-CG 3.86Å
369T93.2Very high93.5Very high64 Ų6457.7 Ų57.739%0.39332%0.316SS..  trans-93.3164.8179.964.80000111.6S371 D372 R373T369-S371 PolarHBondContact O-N 3.5Å; T369-S371 PolarHBondContact OG1-OG 2.82Å; T369-D372 PolarHBondContact N-OD2 2.72Å; T369-D372 WeakPolarHBondContact O-CB 3.11Å; T369-D372 PolarHBondContact O-N 2.86Å; T369-D372 VanDerWaalsContact O-N 3.09Å; T369-D372 PolarHBondContact OG1-N 2.92Å; T369-D372 PolarHBondContact OG1-OD2 3.11Å; T369-R373 PolarHBondContact O-N 2.85Å
370D90.5Very high93.5Very high128 Ų12857.8 Ų57.868%0.68432%0.318SS*.THydrogen-bonded Turntrans-66.5-26.4174.8-66.3-26.9000112.6D372 R373 K374D370-D372 VanDerWaalsContact C-N 3.34Å; D370-R373 PolarHBondContact O-N 2.89Å; D370-R373 IonicContact OD1-NH1 3.28Å; D370-R373 PolarHBondContact OD1-NH1 2.75Å; D370-K374 PolarHBondContact O-N 2.86Å
371S88.6Confident93.4Very high91 Ų9161.4 Ų61.464%0.63634%0.337SS*.THydrogen-bonded Turntrans-64.8-36.9170.1400000112.5T369 R373 K374T369-S371 PolarHBondContact O-N 3.5Å; T369-S371 PolarHBondContact OG1-OG 2.82Å; S371-R373 PolarHBondContact O-N 3.16Å; S371-K374 WeakPolarHBondContact O-CB 3.19Å; S371-K374 PolarHBondContact O-N 2.94Å
372D90.3Very high93.3Very high35 Ų3561.3 Ų61.319%0.18734%0.337CS..THydrogen-bonded Turntrans-67.1-26.1176.6-61.1-47.4000112L349 P350 I368 T369 D370L349-D372 HydrophobicContact CD2-CB 4.16Å; P350-D372 VanDerWaalsContact CD-O 3.28Å; P350-D372 WeakPolarHBondContact CD-O 3.4Å; I368-D372 HydrophobicContact CG2-CB 3.97Å; T369-D372 PolarHBondContact N-OD2 2.72Å; T369-D372 WeakPolarHBondContact O-CB 3.11Å; T369-D372 PolarHBondContact O-N 2.86Å; T369-D372 VanDerWaalsContact O-N 3.09Å; T369-D372 PolarHBondContact OG1-N 2.92Å; T369-D372 PolarHBondContact OG1-OD2 3.11Å; D370-D372 VanDerWaalsContact C-N 3.34Å
373R91.6Very high93.1Very high71 Ų7167.7 Ų67.727%0.26835%0.354SS..THydrogen-bonded Turntrans-91.9-4.7-179.6-62.9-173.5-175.2110.35.1113.9S347 N348 I368 T369 D370 S371 S375S347-R373 PolarHBondContact OG-NE 3Å; S347-R373 VanDerWaalsContact OG-NE 3.12Å; N348-R373 PolarHBondContact ND2-O 3.44Å; N348-R373 WeakPolarHBondContact OD1-CB 3.26Å; N348-R373 WeakPolarHBondContact OD1-CG 3.37Å; I368-R373 HydrophobicContact CG2-CG 3.86Å; T369-R373 PolarHBondContact O-N 2.85Å; D370-R373 PolarHBondContact O-N 2.89Å; D370-R373 IonicContact OD1-NH1 3.28Å; D370-R373 PolarHBondContact OD1-NH1 2.75Å; S371-R373 PolarHBondContact O-N 3.16Å; R373-S375 PolarHBondContact O-N 2.77Å
374K90.1Very high93.1Very high136 Ų13662.3 Ų62.359%0.59133%0.329SS*.SBendtrans-68.6117.2-179.7-175.2-177.4177.6-173.60109.1P350 D370 S371 L376P350-K374 VanDerWaalsContact CB-O 3.27Å; P350-K374 WeakPolarHBondContact CB-O 3.49Å; D370-K374 PolarHBondContact O-N 2.86Å; S371-K374 WeakPolarHBondContact O-CB 3.19Å; S371-K374 PolarHBondContact O-N 2.94Å; K374-L376 PolarHBondContact O-N 2.86Å
375S89.7Confident93.1Very high56 Ų5664 Ų6439%0.39234%0.339SS..  trans-52.2135.6177.8174.10000111.8E355 R373 A377E355-S375 PolarHBondContact OE2-OG 3.05Å; E355-S375 VanDerWaalsContact OE2-OG 3.11Å; R373-S375 PolarHBondContact O-N 2.77Å; S375-A377 PolarHBondContact OG-N 3.35Å; S375-A377 VanDerWaalsContact OG-N 3.11Å; S375-A377 PolarHBondContact OG-O 2.97Å
376L90.4Very high93.2Very high21 Ų2161.2 Ų61.211%0.1133%0.327CS..  trans-114.123.6173.3-58.3-176.7000110.5F287 P290 R292 P350 E355 K374F287-L376 VanDerWaalsContact CD2-O 3.31Å; F287-L376 WeakPolarHBondContact CD2-O 3.26Å; F287-L376 PolarHBondContact N-O 2.86Å; P290-L376 HydrophobicContact CB-CD1 4.14Å; P290-L376 HydrophobicContact CB-CD2 4.01Å; P290-L376 HydrophobicContact CG-CD2 3.98Å; R292-L376 HydrophobicContact CG-CD1 4.28Å; R292-L376 VanDerWaalsContact NH2-CB 3.28Å; R292-L376 PolarHBondContact NH2-O 2.86Å; P350-L376 HydrophobicContact CB-CB 4.22Å; P350-L376 HydrophobicContact CB-CD1 4.48Å; P350-L376 HydrophobicContact CB-CG 3.97Å; E355-L376 WeakPolarHBondContact OE1-CA 3.42Å; E355-L376 PolarHBondContact OE1-N 3.18Å; K374-L376 PolarHBondContact O-N 2.86Å
377A91.2Very high93.2Very high7 Ų758.6 Ų58.66%0.05831%0.309CS..EExtended strand (participates in β ladder)trans-149156172.900000113I284 F285 W286 E355 S375I284-A377 HydrophobicContact CG2-CB 3.69Å; F285-A377 CarbonylContact O-C 3.5Å; F285-A377 WeakPolarHBondContact O-CA 3.45Å; W286-A377 HydrophobicContact CD2-CB 4.25Å; W286-A377 HydrophobicContact CE3-CB 3.74Å; W286-A377 HydrophobicContact CZ3-CB 4.17Å; E355-A377 HydrophobicContact CG-CB 3.99Å; E355-A377 PolarHBondContact OE1-N 3.34Å; E355-A377 VanDerWaalsContact OE1-N 3.17Å; S375-A377 PolarHBondContact OG-N 3.35Å; S375-A377 VanDerWaalsContact OG-N 3.11Å; S375-A377 PolarHBondContact OG-O 2.97Å
378I91.6Very high93.3Very high34 Ų3453.6 Ų53.617%0.17428%0.284CS..EExtended strand (participates in β ladder)trans-114.7120.7168.6-64.5175.6000108I12 I284 F285 F287 F415I12-I378 HydrophobicContact CG2-CD1 3.78Å; I12-I378 HydrophobicContact CG2-CG1 4.23Å; I12-I378 HydrophobicContact CG2-CG2 4.02Å; I284-I378 WeakPolarHBondContact CA-O 3.35Å; F285-I378 HydrophobicContact CB-CB 4.46Å; F285-I378 PolarHBondContact N-O 3.48Å; F285-I378 PolarHBondContact O-N 2.92Å; F287-I378 HydrophobicContact CE2-CD1 4.22Å; F287-I378 HydrophobicContact CE2-CG1 3.93Å; F287-I378 HydrophobicContact CZ-CD1 3.66Å; F287-I378 HydrophobicContact CZ-CG1 3.82Å; I378-F415 HydrophobicContact CB-CE1 4.24Å; I378-F415 HydrophobicContact CD1-CD1 4.48Å; I378-F415 HydrophobicContact CD1-CE1 3.81Å; I378-F415 HydrophobicContact CG2-CE1 4.37Å; I378-F415 HydrophobicContact CG2-CZ 4.47Å
379S93Very high93.5Very high70 Ų7053 Ų5349%0.4928%0.281SS..EExtended strand (participates in β ladder)trans-95.7137.2174.4-48.40000110.4L283L283-S379 CarbonylContact O-C 3.44Å; L283-S379 WeakPolarHBondContact O-CA 3.43Å
380F94.7Very high93.6Very high41 Ų4152 Ų5218%0.1827%0.27CS..EExtended strand (participates in β ladder)trans-136132.7-178.7179-95.9000110.2P15 Y282 L283 F285 A382 W410P15-F380 HydrophobicContact CG-CB 4.21Å; P15-F380 HydrophobicContact CG-CD1 3.43Å; P15-F380 VanDerWaalsContact CG-CD1 3.43Å; P15-F380 HydrophobicContact CG-CD2 3.78Å; P15-F380 HydrophobicContact CG-CE1 3.58Å; P15-F380 HydrophobicContact CG-CE2 3.92Å; P15-F380 HydrophobicContact CG-CG 3.51Å; P15-F380 HydrophobicContact CG-CZ 3.81Å; Y282-F380 CarbonylContact C-O 3.55Å; Y282-F380 WeakPolarHBondContact CA-O 3.32Å; L283-F380 HydrophobicContact CD1-CD1 4.26Å; L283-F380 PolarHBondContact N-O 2.85Å; L283-F380 PolarHBondContact O-N 3.48Å; F285-F380 HydrophobicContact CE2-CB 4.49Å; F380-A382 PolarHBondContact O-N 3.24Å; F380-W410 HydrophobicContact CE1-CE3 4.2Å; F380-W410 AromaticContact CE1-CH2 3.87Å; F380-W410 HydrophobicContact CE1-CH2 3.87Å; F380-W410 AromaticContact CE1-CZ3 3.66Å; F380-W410 HydrophobicContact CE1-CZ3 3.66Å; F380-W410 HydrophobicContact CZ-CH2 4.45Å; F380-W410 AromaticContact CZ-CZ3 3.92Å; F380-W410 HydrophobicContact CZ-CZ3 3.92Å
381D95.4Very high93.8Very high75 Ų7547.3 Ų47.340%0.40125%0.246SC..EExtended strand (participates in β ladder)trans-80.2109.4176.6-178.81.7000109.9Y282 R383Y282-D381 HydrophobicContact CD1-CB 4.33Å; Y282-D381 HydrophobicContact CE1-CB 3.95Å; D381-R383 PolarHBondContact O-N 3.38Å; D381-R383 VanDerWaalsContact OD1-CA 3.28Å; D381-R383 WeakPolarHBondContact OD1-CA 3.33Å; D381-R383 PolarHBondContact OD1-N 2.98Å
382A95Very high94Very high0 Ų043.8 Ų43.80%022%0.219CC..  trans-71.9-8.1176.700000112.6G281 L283 F380 H384 V386 K408 W410G281-A382 WeakPolarHBondContact O-CB 3.46Å; G281-A382 PolarHBondContact O-N 2.85Å; L283-A382 HydrophobicContact CD1-CB 4.15Å; L283-A382 HydrophobicContact CG-CB 4.07Å; F380-A382 PolarHBondContact O-N 3.24Å; A382-H384 PolarHBondContact O-CD2 3.36Å; A382-H384 PolarHBondContact O-N 2.86Å; A382-V386 HydrophobicContact CB-CG2 3.82Å; A382-K408 PolarHBondContact O-NZ 2.86Å; A382-W410 HydrophobicContact CB-CZ2 4.17Å
383R94.4Very high93.9Very high179 Ų17946.1 Ų46.168%0.67523%0.229SC*.SBendtrans59.328.9-178.2-59.9-173.9-77.1173.4-5.9113.5D381D381-R383 PolarHBondContact O-N 3.38Å; D381-R383 VanDerWaalsContact OD1-CA 3.28Å; D381-R383 WeakPolarHBondContact OD1-CA 3.33Å; D381-R383 PolarHBondContact OD1-N 2.98Å
384H95Very high93.5Very high7 Ų746.3 Ų46.33%0.03224%0.241CC..SBendtrans-166.9153.416664.6164.5000110.9G281 A382 V386 T400 G402 D404 I406 K408G281-H384 WeakPolarHBondContact CA-O 3.39Å; A382-H384 PolarHBondContact O-CD2 3.36Å; A382-H384 PolarHBondContact O-N 2.86Å; H384-V386 PolarHBondContact O-N 2.99Å; H384-V386 VanDerWaalsContact O-N 3.12Å; H384-T400 PolarHBondContact NE2-OG1 3.45Å; H384-G402 PolarHBondContact CE1-N 3.36Å; H384-G402 WeakPolarHBondContact ND1-CA 3.31Å; H384-D404 WeakPolarHBondContact CB-OD2 3.31Å; H384-D404 IonicContact CE1-OD1 3.17Å; H384-D404 IonicContact CG-OD1 3.96Å; H384-D404 IonicContact CG-OD2 2.72Å; H384-D404 IonicContact ND1-OD1 3.29Å; H384-D404 PolarHBondContact ND1-OD1 3.16Å; H384-D404 IonicContact ND1-OD2 3.68Å; H384-D404 PolarHBondContact ND1-OD2 2.8Å; H384-I406 PolarHBondContact CE1-O 2.96Å; H384-K408 PolarHBondContact CD2-NZ 2.85Å; H384-K408 PolarHBondContact NE2-NZ 3.49Å
385P97.2Very high93.4Very high49 Ų4943.1 Ų43.132%0.31823%0.23SC..  trans-64.4112.2175.1-1731000110L279 G402 K403L279-P385 HydrophobicContact CD2-CB 4.38Å; P385-G402 CarbonylContact O-C 3.59Å; P385-G402 WeakPolarHBondContact O-CA 3.37Å; P385-K403 HydrophobicContact CB-CB 4.24Å; P385-K403 PolarHBondContact O-N 2.96Å
386V98.2Very high93.4Very high0 Ų042.1 Ų42.10%022%0.22CC..EExtended strand (participates in β ladder)trans-78132.9-176.8-179.60000108.6S251 G278 L279 L283 A382 H384 I389 V401S251-V386 PolarHBondContact OG-O 2.86Å; G278-V386 PolarHBondContact O-N 2.96Å; L279-V386 WeakPolarHBondContact CD2-O 3.33Å; L283-V386 HydrophobicContact CD2-CG1 4.46Å; L283-V386 HydrophobicContact CD2-CG2 4.23Å; A382-V386 HydrophobicContact CB-CG2 3.82Å; H384-V386 PolarHBondContact O-N 2.99Å; H384-V386 VanDerWaalsContact O-N 3.12Å; V386-I389 HydrophobicContact CG1-CG2 3.38Å; V386-V401 CarbonylContact C-O 3.58Å; V386-V401 WeakPolarHBondContact CA-O 3.38Å
387T97.6Very high93.5Very high43 Ų4341.7 Ų41.726%0.26422%0.218SC..EExtended strand (participates in β ladder)trans-111-36.8177.552.60000112.2S251 L279 V401 K403S251-T387 VanDerWaalsContact OG-CA 3.29Å; S251-T387 WeakPolarHBondContact OG-CA 3.44Å; S251-T387 PolarHBondContact OG-O 3.5Å; S251-T387 VanDerWaalsContact OG-O 3.08Å; L279-T387 HydrophobicContact CD2-CG2 4.15Å; T387-V401 PolarHBondContact N-O 3.35Å; T387-V401 PolarHBondContact OG1-O 2.99Å; T387-K403 HydrophobicContact CG2-CB 3.99Å
388C97.3Very high93.7Very high7 Ų741.3 Ų41.35%0.04722%0.215CC..EExtended strand (participates in β ladder)trans-137142.1177.7171.20000110.2D30 R390 T400 V401D30-C388 PolarHBondContact OD1-SG 2.94Å; C388-R390 VanDerWaalsContact SG-CZ 3.52Å; C388-R390 PolarHBondContact SG-NH1 3.47Å; C388-T400 CarbonylContact O-C 3.49Å; C388-T400 WeakPolarHBondContact O-CA 3.5Å; C388-V401 HydrophobicContact CB-CB 4.02Å; C388-V401 HydrophobicContact CB-CG2 4.09Å; C388-V401 PolarHBondContact N-O 2.88Å; C388-V401 PolarHBondContact O-N 3.42Å
389I97.9Very high94Very high0 Ų039.8 Ų39.80%021%0.207CC..EExtended strand (participates in β ladder)trans-129.5143.9169.267.8174.9000111.7S252 C254 I275 L283 V386 L398 L399 T400S252-I389 WeakPolarHBondContact OG-CG1 3.39Å; S252-I389 PolarHBondContact OG-N 3.18Å; C254-I389 HydrophobicContact CB-CD1 4.43Å; C254-I389 HydrophobicContact CB-CG1 4.33Å; I275-I389 HydrophobicContact CB-CD1 4.15Å; I275-I389 HydrophobicContact CG2-CD1 3.89Å; I275-I389 VanDerWaalsContact O-CD1 3.22Å; I275-I389 WeakPolarHBondContact O-CD1 3.31Å; L283-I389 HydrophobicContact CD2-CG2 3.95Å; V386-I389 HydrophobicContact CG1-CG2 3.38Å; I389-L398 HydrophobicContact CB-CD1 4.24Å; I389-L399 WeakPolarHBondContact CA-O 3.28Å; I389-T400 HydrophobicContact CG2-CG2 3.95Å
390R96.8Very high94.2Very high43 Ų4336.4 Ų36.416%0.16218%0.184CC..EExtended strand (participates in β ladder)trans-142.2147.2172.5-61.6-66.9179.4-102-1.8110.4D30 A31 I32 F209 C388 L398 L399D30-R390 IonicContact OD1-CZ 3.93Å; D30-R390 IonicContact OD1-NE 2.68Å; D30-R390 IonicContact OD1-NH2 2.76Å; D30-R390 PolarHBondContact OD1-NH2 3.22Å; D30-R390 IonicContact OD2-NH2 3.32Å; D30-R390 PolarHBondContact OD2-NH2 3.25Å; A31-R390 WeakPolarHBondContact O-CG 3.26Å; I32-R390 HydrophobicContact CG2-CG 4.16Å; F209-R390 VanDerWaalsContact CZ-NH2 3.33Å; C388-R390 VanDerWaalsContact SG-CZ 3.52Å; C388-R390 PolarHBondContact SG-NH1 3.47Å; R390-L398 CarbonylContact O-C 3.6Å; R390-L398 WeakPolarHBondContact O-CA 3.4Å; R390-L399 HydrophobicContact CB-CB 4.26Å; R390-L399 HydrophobicContact CB-CD2 4.49Å; R390-L399 PolarHBondContact N-O 2.97Å; R390-L399 PolarHBondContact O-N 2.85Å
391V94.5Very high94.4Very high28 Ų2834.5 Ų34.517%0.1718%0.175CC..EExtended strand (participates in β ladder)trans-112.7138175.3167.30000109.7C254 W256 I275 E393 L397 L398 I412C254-V391 VanDerWaalsContact SG-CG2 3.55Å; W256-V391 HydrophobicContact CB-CG1 4.18Å; W256-V391 HydrophobicContact CB-CG2 4.4Å; W256-V391 HydrophobicContact CG-CG1 3.83Å; I275-V391 HydrophobicContact CD1-CG2 3.86Å; V391-E393 HydrophobicContact CG1-CG 4.14Å; V391-L397 CarbonylContact C-O 3.57Å; V391-L397 WeakPolarHBondContact CA-O 3.25Å; V391-L398 HydrophobicContact CG2-CD1 3.62Å; V391-I412 HydrophobicContact CG1-CD1 4.36Å; V391-I412 HydrophobicContact CG2-CD1 4.22Å
392E92.1Very high94.5Very high17 Ų1731 Ų318%0.07916%0.157CC..EExtended strand (participates in β ladder)trans-103.1101.9162.8176.955-146.900108.3F33 P35 G36 S394 L395 N396 L397F33-E392 HydrophobicContact CB-CB 3.95Å; F33-E392 HydrophobicContact CB-CG 4.43Å; F33-E392 HydrophobicContact CD1-CB 4.23Å; F33-E392 HydrophobicContact CD2-CB 3.48Å; F33-E392 VanDerWaalsContact CD2-CB 3.48Å; F33-E392 HydrophobicContact CE2-CB 3.9Å; F33-E392 HydrophobicContact CG-CB 3.65Å; F33-E392 HydrophobicContact CG-CG 4.48Å; F33-E392 HydrophobicContact CZ-CB 4.46Å; P35-E392 WeakPolarHBondContact CA-OE2 3.19Å; G36-E392 PolarHBondContact N-OE1 3.49Å; G36-E392 VanDerWaalsContact N-OE1 3.15Å; E392-S394 VanDerWaalsContact C-N 3.32Å; E392-S394 PolarHBondContact O-N 2.99Å; E392-S394 WeakPolarHBondContact OE1-CB 3.31Å; E392-S394 PolarHBondContact OE1-OG 3.43Å; E392-L395 HydrophobicContact CG-CB 3.97Å; E392-L395 HydrophobicContact CG-CD1 4.07Å; E392-L395 HydrophobicContact CG-CG 3.95Å; E392-L395 PolarHBondContact O-N 3.16Å; E392-N396 PolarHBondContact O-N 2.72Å; E392-L397 HydrophobicContact CB-CB 4.43Å; E392-L397 PolarHBondContact N-O 3.47Å; E392-L397 PolarHBondContact O-N 2.85Å
393E87.5Confident94.5Very high85 Ų8538.5 Ų38.540%0.39719%0.19SC..G310 helixtrans-63.7-38.9-172-55.3-163137.900111.9S257 V391 L395 N396S257-E393 PolarHBondContact N-OE1 2.98Å; S257-E393 PolarHBondContact OG-OE1 2.84Å; S257-E393 PolarHBondContact OG-OE2 2.91Å; S257-E393 VanDerWaalsContact OG-OE2 3.1Å; V391-E393 HydrophobicContact CG1-CG 4.14Å; E393-L395 PolarHBondContact O-N 3.49Å; E393-N396 PolarHBondContact O-N 3.04Å
394S84.8Confident94.5Very high75 Ų7532.8 Ų32.852%0.52417%0.173SC..G310 helixtrans-64.7-28.9-176.174.10000113.2E392E392-S394 VanDerWaalsContact C-N 3.32Å; E392-S394 PolarHBondContact O-N 2.99Å; E392-S394 WeakPolarHBondContact OE1-CB 3.31Å; E392-S394 PolarHBondContact OE1-OG 3.43Å
395L87.3Confident94.5Very high69 Ų6938.2 Ų38.236%0.36119%0.193SC..G310 helixtrans-105.2-5.3-178.9-59.1-179.9000112.9E392 E393 L397E392-L395 HydrophobicContact CG-CB 3.97Å; E392-L395 HydrophobicContact CG-CD1 4.07Å; E392-L395 HydrophobicContact CG-CG 3.95Å; E392-L395 PolarHBondContact O-N 3.16Å; E393-L395 PolarHBondContact O-N 3.49Å; L395-L397 VanDerWaalsContact C-N 3.25Å; L395-L397 HydrophobicContact CB-CB 4.47Å; L395-L397 HydrophobicContact CB-CD1 3.85Å; L395-L397 HydrophobicContact CB-CG 3.77Å; L395-L397 HydrophobicContact CD1-CD1 4Å; L395-L397 PolarHBondContact O-N 2.55Å
396N89.6Confident94.4Very high34 Ų3437.2 Ų37.218%0.18219%0.185CC..THydrogen-bonded Turntrans51.245.9-169.8-51.2-84.4000111.7W256 E392 E393 I412 K413 S416W256-N396 HydrophobicContact CZ2-CB 4.25Å; W256-N396 WeakPolarHBondContact CZ2-OD1 3.32Å; E392-N396 PolarHBondContact O-N 2.72Å; E393-N396 PolarHBondContact O-N 3.04Å; N396-I412 HydrophobicContact CB-CG1 4.3Å; N396-I412 WeakPolarHBondContact O-CG1 3.44Å; N396-I412 PolarHBondContact O-N 3.18Å; N396-K413 HydrophobicContact CB-CB 4.11Å; N396-S416 PolarHBondContact OD1-OG 2.77Å
397L92.8Very high94.3Very high12 Ų1237.3 Ų37.36%0.06319%0.185CC..EExtended strand (participates in β ladder)trans-108.5139.8177.4-63.4177.6000110.7V18 F33 V391 E392 L395 V409 W410 D411V18-L397 HydrophobicContact CG2-CD2 4.49Å; F33-L397 HydrophobicContact CE1-CB 4.25Å; F33-L397 HydrophobicContact CE1-CD1 4.34Å; F33-L397 HydrophobicContact CE2-CB 4.23Å; F33-L397 HydrophobicContact CZ-CB 3.7Å; V391-L397 CarbonylContact C-O 3.57Å; V391-L397 WeakPolarHBondContact CA-O 3.25Å; E392-L397 HydrophobicContact CB-CB 4.43Å; E392-L397 PolarHBondContact N-O 3.47Å; E392-L397 PolarHBondContact O-N 2.85Å; L395-L397 VanDerWaalsContact C-N 3.25Å; L395-L397 HydrophobicContact CB-CB 4.47Å; L395-L397 HydrophobicContact CB-CD1 3.85Å; L395-L397 HydrophobicContact CB-CG 3.77Å; L395-L397 HydrophobicContact CD1-CD1 4Å; L395-L397 PolarHBondContact O-N 2.55Å; L397-V409 HydrophobicContact CB-CG1 4.23Å; L397-V409 HydrophobicContact CD1-CG1 4.12Å; L397-V409 HydrophobicContact CD2-CG1 4.15Å; L397-V409 HydrophobicContact CG-CG1 4.4Å; L397-W410 CarbonylContact C-O 3.43Å; L397-W410 VanDerWaalsContact CA-O 3.3Å; L397-W410 WeakPolarHBondContact CA-O 3.44Å; L397-D411 HydrophobicContact CD2-CB 4.41Å
398L95.8Very high94.2Very high0 Ų035.9 Ų35.90%018%0.175CC..EExtended strand (participates in β ladder)trans-110.6127.7170.2176.670.2000108.8I275 L283 F285 I389 R390 V391 T400 V409 W410 I412I275-L398 HydrophobicContact CD1-CD1 4.16Å; I275-L398 HydrophobicContact CG2-CD1 4.37Å; I275-L398 HydrophobicContact CG2-CD2 4.29Å; L283-L398 HydrophobicContact CD1-CD2 3.75Å; L283-L398 HydrophobicContact CD2-CD2 4.43Å; F285-L398 HydrophobicContact CZ-CD2 4.06Å; I389-L398 HydrophobicContact CB-CD1 4.24Å; R390-L398 CarbonylContact O-C 3.6Å; R390-L398 WeakPolarHBondContact O-CA 3.4Å; V391-L398 HydrophobicContact CG2-CD1 3.62Å; L398-T400 HydrophobicContact CD2-CG2 4.26Å; L398-T400 HydrophobicContact CG-CG2 4.2Å; L398-V409 CarbonylContact O-C 3.51Å; L398-V409 WeakPolarHBondContact O-CA 3.1Å; L398-W410 HydrophobicContact CB-CB 4.25Å; L398-W410 PolarHBondContact N-O 3.31Å; L398-W410 VanDerWaalsContact O-CD1 3.29Å; L398-W410 PolarHBondContact O-N 2.92Å; L398-I412 HydrophobicContact CB-CD1 4.25Å; L398-I412 HydrophobicContact CB-CG2 3.79Å; L398-I412 HydrophobicContact CD2-CG2 4.32Å
399L97.1Very high94.1Very high1 Ų135.6 Ų35.61%0.00517%0.173CC..EExtended strand (participates in β ladder)trans-96.7135.5170.5-175.464.1000108.8A31 F33 I40 I389 R390 I407 K408 V409A31-L399 HydrophobicContact CB-CD2 3.65Å; A31-L399 HydrophobicContact CB-CG 4.49Å; F33-L399 HydrophobicContact CD2-CB 4.17Å; F33-L399 HydrophobicContact CE2-CB 3.45Å; F33-L399 VanDerWaalsContact CE2-CB 3.45Å; F33-L399 HydrophobicContact CZ-CB 3.67Å; I40-L399 HydrophobicContact CD1-CD1 3.8Å; I40-L399 HydrophobicContact CG1-CD1 4.47Å; I40-L399 HydrophobicContact CG2-CD1 4.42Å; I40-L399 HydrophobicContact CG2-CD2 3.9Å; I389-L399 WeakPolarHBondContact CA-O 3.28Å; R390-L399 HydrophobicContact CB-CB 4.26Å; R390-L399 HydrophobicContact CB-CD2 4.49Å; R390-L399 PolarHBondContact N-O 2.97Å; R390-L399 PolarHBondContact O-N 2.85Å; L399-I407 HydrophobicContact CD1-CG2 3.28Å; L399-I407 HydrophobicContact CG-CG2 4.24Å; L399-K408 CarbonylContact C-O 3.52Å; L399-K408 WeakPolarHBondContact CA-O 3.33Å; L399-V409 HydrophobicContact CD1-CG2 3.89Å
400T98.1Very high94Very high0 Ų035.8 Ų35.80%017%0.174CC..EExtended strand (participates in β ladder)trans-129.9129.6169.663.60000110.3L283 H384 C388 I389 L398 I407 K408 W410L283-T400 HydrophobicContact CD1-CG2 4.02Å; L283-T400 HydrophobicContact CD2-CG2 3.9Å; H384-T400 PolarHBondContact NE2-OG1 3.45Å; C388-T400 CarbonylContact O-C 3.49Å; C388-T400 WeakPolarHBondContact O-CA 3.5Å; I389-T400 HydrophobicContact CG2-CG2 3.95Å; L398-T400 HydrophobicContact CD2-CG2 4.26Å; L398-T400 HydrophobicContact CG-CG2 4.2Å; T400-I407 CarbonylContact O-C 3.53Å; T400-I407 WeakPolarHBondContact O-CA 3.4Å; T400-K408 PolarHBondContact N-O 2.93Å; T400-K408 PolarHBondContact O-N 3.36Å; T400-W410 VanDerWaalsContact CG2-NE1 3.32Å; T400-W410 PolarHBondContact OG1-NE1 3.11Å
401V97.7Very high93.8Very high0 Ų036.1 Ų36.10%018%0.179CC..EExtended strand (participates in β ladder)trans-99.5135.9168.6-175.50000108.3V28 A31 V386 T387 C388 I407V28-V401 HydrophobicContact CB-CG1 3.65Å; V28-V401 HydrophobicContact CG1-CG1 3.85Å; V28-V401 HydrophobicContact CG1-CG2 4.2Å; V28-V401 WeakPolarHBondContact O-CG1 3.35Å; A31-V401 HydrophobicContact CB-CG2 3.6Å; V386-V401 CarbonylContact C-O 3.58Å; V386-V401 WeakPolarHBondContact CA-O 3.38Å; T387-V401 PolarHBondContact N-O 3.35Å; T387-V401 PolarHBondContact OG1-O 2.99Å; C388-V401 HydrophobicContact CB-CB 4.02Å; C388-V401 HydrophobicContact CB-CG2 4.09Å; C388-V401 PolarHBondContact N-O 2.88Å; C388-V401 PolarHBondContact O-N 3.42Å; V401-I407 HydrophobicContact CG2-CG1 4.4Å
402G97.1Very high93.7Very high2 Ų234.8 Ų34.82%0.02117%0.171CC..EExtended strand (participates in β ladder)trans-113.3156.3175.700000114.2H384 P385 D404 R405 I406H384-G402 PolarHBondContact CE1-N 3.36Å; H384-G402 WeakPolarHBondContact ND1-CA 3.31Å; P385-G402 CarbonylContact O-C 3.59Å; P385-G402 WeakPolarHBondContact O-CA 3.37Å; G402-D404 WeakPolarHBondContact CA-OD1 3.48Å; G402-D404 PolarHBondContact O-N 3.33Å; G402-D404 VanDerWaalsContact O-N 3.1Å; G402-R405 PolarHBondContact O-N 3.25Å; G402-I406 PolarHBondContact N-O 3.37Å
403K95Very high93.4Very high157 Ų15739.8 Ų39.868%0.68319%0.192SC*.THydrogen-bonded Turntrans-61.8-16.6173.7-165.4170.8-176.9171.20113.1P385 T387 R405P385-K403 HydrophobicContact CB-CB 4.24Å; P385-K403 PolarHBondContact O-N 2.96Å; T387-K403 HydrophobicContact CG2-CB 3.99Å; K403-R405 PolarHBondContact O-N 3.4Å
404D94.4Very high93.2Very high59 Ų5937.9 Ų37.932%0.31619%0.191SC..THydrogen-bonded Turntrans-807175.461.9-15.1000114.1H384 G402 I406H384-D404 WeakPolarHBondContact CB-OD2 3.31Å; H384-D404 IonicContact CE1-OD1 3.17Å; H384-D404 IonicContact CG-OD1 3.96Å; H384-D404 IonicContact CG-OD2 2.72Å; H384-D404 IonicContact ND1-OD1 3.29Å; H384-D404 PolarHBondContact ND1-OD1 3.16Å; H384-D404 IonicContact ND1-OD2 3.68Å; H384-D404 PolarHBondContact ND1-OD2 2.8Å; G402-D404 WeakPolarHBondContact CA-OD1 3.48Å; G402-D404 PolarHBondContact O-N 3.33Å; G402-D404 VanDerWaalsContact O-N 3.1Å; D404-I406 PolarHBondContact O-N 3.34Å; D404-I406 PolarHBondContact OD1-N 3.27Å; D404-I406 WeakPolarHBondContact OD2-CD1 3.41Å
405R95.1Very high93Very high121 Ų12134.7 Ų34.746%0.45717%0.168SC..SBendtrans6626.7-177.7-48.2170.3-73.6-174.3-4.3112.8L24 S25 G402 K403L24-R405 HydrophobicContact CB-CB 4.32Å; S25-R405 PolarHBondContact O-NH1 3.2Å; G402-R405 PolarHBondContact O-N 3.25Å; K403-R405 PolarHBondContact O-N 3.4Å
406I95.7Very high92.2Very high29 Ų2932.6 Ų32.615%0.14916%0.159CC..  trans-111.1133.3177.3-65.7173.2000108.7K20 I21 D22 H384 G402 D404 K408K20-I406 HydrophobicContact CD-CG2 4.25Å; K20-I406 HydrophobicContact CG-CG2 3.71Å; I21-I406 WeakPolarHBondContact O-CA 3.49Å; D22-I406 HydrophobicContact CB-CG1 4.1Å; H384-I406 PolarHBondContact CE1-O 2.96Å; G402-I406 PolarHBondContact N-O 3.37Å; D404-I406 PolarHBondContact O-N 3.34Å; D404-I406 PolarHBondContact OD1-N 3.27Å; D404-I406 WeakPolarHBondContact OD2-CD1 3.41Å; I406-K408 HydrophobicContact CG2-CG 3.96Å
407I96.3Very high90.8Very high1 Ų133.3 Ų33.31%0.00517%0.167CC..EExtended strand (participates in β ladder)trans-105.2135.2169.3-53.3174.8000107.7K20 I21 L24 V28 T42 L399 T400 V401K20-I407 CarbonylContact C-O 3.5Å; K20-I407 WeakPolarHBondContact CA-O 3.19Å; I21-I407 HydrophobicContact CB-CB 4.08Å; I21-I407 HydrophobicContact CD1-CB 4.37Å; I21-I407 HydrophobicContact CD1-CD1 4.21Å; I21-I407 HydrophobicContact CG1-CB 4.42Å; I21-I407 PolarHBondContact N-O 3.34Å; I21-I407 PolarHBondContact O-N 3.34Å; L24-I407 HydrophobicContact CD1-CD1 4.11Å; L24-I407 HydrophobicContact CD1-CG1 4.25Å; V28-I407 HydrophobicContact CG1-CD1 4.19Å; V28-I407 HydrophobicContact CG2-CD1 4.04Å; V28-I407 HydrophobicContact CG2-CG1 4.31Å; T42-I407 HydrophobicContact CG2-CD1 3.37Å; L399-I407 HydrophobicContact CD1-CG2 3.28Å; L399-I407 HydrophobicContact CG-CG2 4.24Å; T400-I407 CarbonylContact O-C 3.53Å; T400-I407 WeakPolarHBondContact O-CA 3.4Å; V401-I407 HydrophobicContact CG2-CG1 4.4Å
408K96.1Very high88.8Confident14 Ų1435.3 Ų35.36%0.06118%0.177CC..EExtended strand (participates in β ladder)trans-125.3142175.9-64.9172-173.9148.50109.9L17 F19 K20 A382 H384 L399 T400 I406 W410L17-K408 HydrophobicContact CD1-CB 3.67Å; L17-K408 HydrophobicContact CD1-CD 4.11Å; L17-K408 HydrophobicContact CD1-CG 3.89Å; F19-K408 WeakPolarHBondContact O-CA 3.5Å; K20-K408 HydrophobicContact CG-CG 4.34Å; A382-K408 PolarHBondContact O-NZ 2.86Å; H384-K408 PolarHBondContact CD2-NZ 2.85Å; H384-K408 PolarHBondContact NE2-NZ 3.49Å; L399-K408 CarbonylContact C-O 3.52Å; L399-K408 WeakPolarHBondContact CA-O 3.33Å; T400-K408 PolarHBondContact N-O 2.93Å; T400-K408 PolarHBondContact O-N 3.36Å; I406-K408 HydrophobicContact CG2-CG 3.96Å; K408-W410 HydrophobicContact CB-CZ2 3.87Å; K408-W410 HydrophobicContact CD-CH2 3.84Å; K408-W410 HydrophobicContact CD-CZ2 3.3Å; K408-W410 HydrophobicContact CG-CZ2 4.21Å
409V95.3Very high86.1Confident1 Ų139.3 Ų39.31%0.00620%0.203CC..EExtended strand (participates in β ladder)trans-114.5126.7172.6-178.10000107.5V18 F19 F33 I40 L397 L398 L399V18-V409 PolarHBondContact N-O 3.31Å; F19-V409 HydrophobicContact CB-CB 4.17Å; F19-V409 HydrophobicContact CB-CG2 4.49Å; F19-V409 HydrophobicContact CD1-CG2 4.23Å; F19-V409 PolarHBondContact N-O 3.38Å; F19-V409 VanDerWaalsContact N-O 3.17Å; F19-V409 PolarHBondContact O-N 3.03Å; F33-V409 HydrophobicContact CE1-CG1 4.27Å; F33-V409 HydrophobicContact CZ-CG1 4.11Å; I40-V409 HydrophobicContact CD1-CG2 3.54Å; L397-V409 HydrophobicContact CB-CG1 4.23Å; L397-V409 HydrophobicContact CD1-CG1 4.12Å; L397-V409 HydrophobicContact CD2-CG1 4.15Å; L397-V409 HydrophobicContact CG-CG1 4.4Å; L398-V409 CarbonylContact O-C 3.51Å; L398-V409 WeakPolarHBondContact O-CA 3.1Å; L399-V409 HydrophobicContact CD1-CG2 3.89Å
410W95.2Very high83.2Confident4 Ų447.9 Ų47.92%0.01524%0.243CC..EExtended strand (participates in β ladder)trans-118.3136.8-176.1-44.886.4000110.3P15 E16 L17 F380 A382 L397 L398 T400 K408P15-W410 HydrophobicContact CB-CB 4.03Å; P15-W410 HydrophobicContact CB-CE3 4.4Å; E16-W410 CarbonylContact O-C 3.51Å; E16-W410 WeakPolarHBondContact O-CA 3.4Å; L17-W410 HydrophobicContact CB-CE3 3.77Å; L17-W410 HydrophobicContact CB-CZ3 3.69Å; L17-W410 HydrophobicContact CD1-CD2 4.02Å; L17-W410 HydrophobicContact CD1-CE3 3.86Å; L17-W410 HydrophobicContact CD1-CH2 4.1Å; L17-W410 HydrophobicContact CD1-CZ2 4.25Å; L17-W410 HydrophobicContact CD1-CZ3 3.9Å; L17-W410 HydrophobicContact CG-CE3 4.43Å; L17-W410 HydrophobicContact CG-CZ3 4.3Å; F380-W410 HydrophobicContact CE1-CE3 4.2Å; F380-W410 AromaticContact CE1-CH2 3.87Å; F380-W410 HydrophobicContact CE1-CH2 3.87Å; F380-W410 AromaticContact CE1-CZ3 3.66Å; F380-W410 HydrophobicContact CE1-CZ3 3.66Å; F380-W410 HydrophobicContact CZ-CH2 4.45Å; F380-W410 AromaticContact CZ-CZ3 3.92Å; F380-W410 HydrophobicContact CZ-CZ3 3.92Å; A382-W410 HydrophobicContact CB-CZ2 4.17Å; L397-W410 CarbonylContact C-O 3.43Å; L397-W410 VanDerWaalsContact CA-O 3.3Å; L397-W410 WeakPolarHBondContact CA-O 3.44Å; L398-W410 HydrophobicContact CB-CB 4.25Å; L398-W410 PolarHBondContact N-O 3.31Å; L398-W410 VanDerWaalsContact O-CD1 3.29Å; L398-W410 PolarHBondContact O-N 2.92Å; T400-W410 VanDerWaalsContact CG2-NE1 3.32Å; T400-W410 PolarHBondContact OG1-NE1 3.11Å; K408-W410 HydrophobicContact CB-CZ2 3.87Å; K408-W410 HydrophobicContact CD-CH2 3.84Å; K408-W410 HydrophobicContact CD-CZ2 3.3Å; K408-W410 HydrophobicContact CG-CZ2 4.21Å
411D92.7Very high80.2Confident50 Ų5055.1 Ų55.127%0.26729%0.294SS..EExtended strand (participates in β ladder)trans-80.1125.1165.8-170.3-34.8000108.5P15 E16 V18 L397 K413P15-D411 CarbonylContact C-O 3.55Å; P15-D411 VanDerWaalsContact CA-O 3.29Å; P15-D411 WeakPolarHBondContact CA-O 3.11Å; E16-D411 HydrophobicContact CB-CB 4.43Å; E16-D411 PolarHBondContact N-O 3.4Å; E16-D411 PolarHBondContact O-N 3.21Å; V18-D411 HydrophobicContact CG2-CB 3.57Å; L397-D411 HydrophobicContact CD2-CB 4.41Å; D411-K413 WeakPolarHBondContact OD1-CB 3.48Å; D411-K413 PolarHBondContact OD1-N 2.95Å
412I91.3Very high79.3Confident0 Ų057.9 Ų57.90%031%0.308CS..  trans-113.912.217957.5169.8000112.6P15 W256 I275 F285 V391 N396 L398 A414 F415P15-I412 HydrophobicContact CB-CG2 4.03Å; W256-I412 HydrophobicContact CD2-CD1 3.69Å; W256-I412 HydrophobicContact CE3-CD1 3.56Å; W256-I412 HydrophobicContact CE3-CG1 4.49Å; W256-I412 HydrophobicContact CG-CD1 4.47Å; W256-I412 HydrophobicContact CH2-CB 4.18Å; W256-I412 HydrophobicContact CH2-CD1 3.75Å; W256-I412 HydrophobicContact CH2-CG1 3.81Å; W256-I412 VanDerWaalsContact CH2-O 3.3Å; W256-I412 WeakPolarHBondContact CH2-O 2.72Å; W256-I412 HydrophobicContact CZ2-CD1 3.86Å; W256-I412 HydrophobicContact CZ2-CG1 4.05Å; W256-I412 HydrophobicContact CZ3-CB 4.23Å; W256-I412 HydrophobicContact CZ3-CD1 3.58Å; W256-I412 HydrophobicContact CZ3-CG1 4.04Å; I275-I412 HydrophobicContact CD1-CD1 4.13Å; F285-I412 HydrophobicContact CE1-CG2 3.96Å; F285-I412 HydrophobicContact CZ-CG2 4.08Å; V391-I412 HydrophobicContact CG1-CD1 4.36Å; V391-I412 HydrophobicContact CG2-CD1 4.22Å; N396-I412 HydrophobicContact CB-CG1 4.3Å; N396-I412 WeakPolarHBondContact O-CG1 3.44Å; N396-I412 PolarHBondContact O-N 3.18Å; L398-I412 HydrophobicContact CB-CD1 4.25Å; L398-I412 HydrophobicContact CB-CG2 3.79Å; L398-I412 HydrophobicContact CD2-CG2 4.32Å; I412-A414 PolarHBondContact O-N 3.16Å; I412-A414 VanDerWaalsContact O-N 3.12Å; I412-F415 HydrophobicContact CB-CD2 4.15Å; I412-F415 WeakPolarHBondContact O-CB 3.49Å; I412-F415 WeakPolarHBondContact O-CD2 3.35Å; I412-F415 PolarHBondContact O-N 2.82Å
413K86.7Confident78.3Confident122 Ų12260.8 Ų60.853%0.5332%0.323SS..G310 helixtrans-57-29.6-179.2-171.9177.9-179.9-179.70113.7N396 D411 F415 S416 S417N396-K413 HydrophobicContact CB-CB 4.11Å; D411-K413 WeakPolarHBondContact OD1-CB 3.48Å; D411-K413 PolarHBondContact OD1-N 2.95Å; K413-F415 PolarHBondContact O-N 2.7Å; K413-S416 PolarHBondContact O-N 3.21Å; K413-S416 PolarHBondContact O-OG 3.4Å; K413-S417 PolarHBondContact O-N 3.32Å; K413-S417 PolarHBondContact O-OG 3.43Å
414A84Confident77.4Confident44 Ų4455.4 Ų55.436%0.36430%0.303SS..G310 helixtrans-57.2-22.7175.300000113.6A13 I412A13-A414 HydrophobicContact CB-CB 4.08Å; A13-A414 WeakPolarHBondContact CB-O 3.33Å; I412-A414 PolarHBondContact O-N 3.16Å; I412-A414 VanDerWaalsContact O-N 3.12Å
415F79.9Confident76.4Confident8 Ų855.2 Ų55.24%0.03530%0.303CS..G310 helixtrans-86.7-22.7176.9-67.7-91.9000113.5A13 W256 L273 F285 I378 I412 K413A13-F415 HydrophobicContact CB-CD1 3.8Å; A13-F415 HydrophobicContact CB-CD2 4.21Å; A13-F415 HydrophobicContact CB-CE1 3.92Å; A13-F415 HydrophobicContact CB-CE2 4.31Å; A13-F415 HydrophobicContact CB-CG 3.96Å; A13-F415 HydrophobicContact CB-CZ 4.17Å; A13-F415 VanDerWaalsContact O-CZ 3.27Å; A13-F415 WeakPolarHBondContact O-CZ 3.26Å; W256-F415 HydrophobicContact CH2-CB 3.87Å; W256-F415 HydrophobicContact CZ3-CB 3.61Å; W256-F415 HydrophobicContact CZ3-CG 4.43Å; L273-F415 HydrophobicContact CD1-CB 3.82Å; L273-F415 HydrophobicContact CD1-CD1 4.34Å; L273-F415 HydrophobicContact CD1-CG 4.41Å; F285-F415 HydrophobicContact CB-CE1 4.02Å; F285-F415 HydrophobicContact CD1-CD1 4.19Å; F285-F415 HydrophobicContact CD1-CD2 4.39Å; F285-F415 AromaticContact CD1-CE1 3.94Å; F285-F415 HydrophobicContact CD1-CE1 3.94Å; F285-F415 HydrophobicContact CD1-CE2 4.16Å; F285-F415 HydrophobicContact CD1-CG 4.41Å; F285-F415 AromaticContact CD1-CZ 3.93Å; F285-F415 HydrophobicContact CD1-CZ 3.93Å; F285-F415 HydrophobicContact CD2-CE1 4.22Å; F285-F415 AromaticContact CD2-CZ 3.89Å; F285-F415 HydrophobicContact CD2-CZ 3.89Å; F285-F415 HydrophobicContact CE1-CD2 4.19Å; F285-F415 HydrophobicContact CE1-CE1 4.47Å; F285-F415 AromaticContact CE1-CE2 3.88Å; F285-F415 HydrophobicContact CE1-CE2 3.88Å; F285-F415 HydrophobicContact CE1-CZ 4.04Å; F285-F415 HydrophobicContact CE2-CE2 4.36Å; F285-F415 HydrophobicContact CE2-CZ 4.02Å; F285-F415 HydrophobicContact CG-CD1 4.43Å; F285-F415 AromaticContact CG-CE1 3.8Å; F285-F415 HydrophobicContact CG-CE1 3.8Å; F285-F415 AromaticContact CG-CZ 3.87Å; F285-F415 HydrophobicContact CG-CZ 3.87Å; F285-F415 AromaticContact CZ-CE2 4Å; F285-F415 HydrophobicContact CZ-CE2 4Å; F285-F415 HydrophobicContact CZ-CZ 4.09Å; I378-F415 HydrophobicContact CB-CE1 4.24Å; I378-F415 HydrophobicContact CD1-CD1 4.48Å; I378-F415 HydrophobicContact CD1-CE1 3.81Å; I378-F415 HydrophobicContact CG2-CE1 4.37Å; I378-F415 HydrophobicContact CG2-CZ 4.47Å; I412-F415 HydrophobicContact CB-CD2 4.15Å; I412-F415 WeakPolarHBondContact O-CB 3.49Å; I412-F415 WeakPolarHBondContact O-CD2 3.35Å; I412-F415 PolarHBondContact O-N 2.82Å; K413-F415 PolarHBondContact O-N 2.7Å
416S70.7Confident75.2Confident25 Ų2551.1 Ų51.118%0.17529%0.293CS..THydrogen-bonded Turntrans-90.3-30.9177.558.70000112.5N396 K413N396-S416 PolarHBondContact OD1-OG 2.77Å; K413-S416 PolarHBondContact O-N 3.21Å; K413-S416 PolarHBondContact O-OG 3.4Å
417S60.9Low73.9Confident50 Ų5052.6 Ų52.635%0.3530%0.303SS..SBendtrans-75.3137.9175.757.10000112.9K413K413-S417 PolarHBondContact O-N 3.32Å; K413-S417 PolarHBondContact O-OG 3.43Å
418N49.9Very low72.3Confident53 Ų5356.3 Ų56.328%0.28332%0.324SS..  trans-77.8130169.3-147.4-9.9000108.6D267 H420 S421D267-N418 PolarHBondContact O-ND2 3.25Å; N418-H420 PolarHBondContact O-N 2.9Å; N418-S421 PolarHBondContact O-N 2.82Å; N418-S421 PolarHBondContact O-OG 2.76Å
419P40Very low70.4Confident85 Ų8559.5 Ų59.555%0.55234%0.344SS*.THydrogen-bonded Turntrans-64.84-178.923.5-34.1000115.5
420H35.8Very low68.4Low180 Ų18064.4 Ų64.483%0.83337%0.372SS*.THydrogen-bonded Turntrans-1199.1-179.7-64.1-50.4000114.4N418N418-H420 PolarHBondContact O-N 2.9Å
421S33.7Very low65.9Low152 Ų15269.9 Ų69.9100%1.06341%0.405SS*.  trans-91.80160.663.90000109.4N418N418-S421 PolarHBondContact O-N 2.82Å; N418-S421 PolarHBondContact O-OG 2.76Å

Retrieved 421 of 421 residues in 591.5 ms (Link to these results)

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