Z4YK64_MOUSE Loading...

DDB1 and CUL4 associated factor 17

AlphaFold DB , UniProt , Accession Z4YK64, Species MOUSE (Mus musculus, Mouse), Gene Dcaf17, Length 505 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
1M33.6Very low56.6Low248 Ų248145.4 Ų145.4100%1.22273%0.727SS**  0120.30-73.1176.9179.500108.1
2G29.7Very low58.8Low73 Ų73138.8 Ų138.875%0.75369%0.687SS**  trans-66.8140.9-170.600000112.6T4G2-T4 PolarHBondContact O-N 3.47Å
3R35.1Very low60.8Low255 Ų255132.2 Ų132.296%0.96266%0.655SS**  trans-51.9103.2165.8-86.9177.2167.6172.9-4.5108.1R5R3-R5 PolarHBondContact O-N 2.93Å
4T39.4Very low62.4Low133 Ų133127.5 Ų127.582%0.81664%0.642SS**  trans-54.7114.8163.728.60000106.9G2 K6G2-T4 PolarHBondContact O-N 3.47Å; T4-K6 PolarHBondContact O-N 3.23Å
5R43.6Very low63.9Low243 Ų243125.8 Ų125.892%0.91763%0.625SS**  trans-51.1113.2176.4-116.8177.3173.8175.8-2.2107.3R3 A7R3-R5 PolarHBondContact O-N 2.93Å; R5-A7 PolarHBondContact O-N 3.02Å
6K55.7Low65.1Low191 Ų191121.9 Ų121.983%0.8360%0.601SS**  trans-50.4116.1173-79.5-174.4177.8-178.70107.2T4 N8T4-K6 PolarHBondContact O-N 3.23Å; K6-N8 PolarHBondContact O-N 2.84Å
7A60.7Low66.2Low70 Ų70118.6 Ų118.658%0.57960%0.597SS**  trans-61.8122.2-176.200000109R5 V9R5-A7 PolarHBondContact O-N 3.02Å; A7-V9 PolarHBondContact O-N 2.9Å; A7-V9 VanDerWaalsContact O-N 3.09Å
8N78.7Confident67.3Low100 Ų100119.2 Ų119.254%0.53560%0.602SS.*  trans-59.2116179.8-179.1-37000109.5K6 C10 R11 R12K6-N8 PolarHBondContact O-N 2.84Å; N8-C10 VanDerWaalsContact C-N 3.31Å; N8-C10 PolarHBondContact O-N 2.9Å; N8-C10 WeakPolarHBondContact OD1-CA 3.5Å; N8-C10 VanDerWaalsContact OD1-CB 3.23Å; N8-C10 WeakPolarHBondContact OD1-CB 3.27Å; N8-C10 PolarHBondContact OD1-N 2.92Å; N8-R11 HydrophobicContact CB-CB 4.15Å; N8-R11 WeakPolarHBondContact O-CB 3.38Å; N8-R11 PolarHBondContact O-N 2.99Å; N8-R11 VanDerWaalsContact O-N 3.12Å; N8-R11 PolarHBondContact OD1-N 2.91Å; N8-R12 PolarHBondContact O-N 3.06Å
9V81.5Confident68Low19 Ų19114.9 Ų114.912%0.11559%0.591CS.*Hα-helixtrans-62.1-38.3-176.5-179.10000111.3A7 R11 R12 L13 I35 A38 L39A7-V9 PolarHBondContact O-N 2.9Å; A7-V9 VanDerWaalsContact O-N 3.09Å; V9-R11 VanDerWaalsContact C-N 3.3Å; V9-R11 PolarHBondContact O-N 3.27Å; V9-R12 WeakPolarHBondContact O-CB 3.45Å; V9-R12 PolarHBondContact O-N 2.97Å; V9-L13 HydrophobicContact CG1-CD1 4.2Å; V9-L13 HydrophobicContact CG1-CG 4.47Å; V9-L13 PolarHBondContact O-N 2.81Å; V9-I35 HydrophobicContact CG1-CG2 4.07Å; V9-A38 HydrophobicContact CG2-CB 3.85Å; V9-L39 HydrophobicContact CG1-CD2 3.63Å; V9-L39 HydrophobicContact CG1-CG 3.84Å
10C81.1Confident68.6Low86 Ų86115.5 Ų115.558%0.58159%0.589SS**Hα-helixtrans-59.2-41.7175-55.20000111.2N8 R12 L13 S14N8-C10 VanDerWaalsContact C-N 3.31Å; N8-C10 PolarHBondContact O-N 2.9Å; N8-C10 WeakPolarHBondContact OD1-CA 3.5Å; N8-C10 VanDerWaalsContact OD1-CB 3.23Å; N8-C10 WeakPolarHBondContact OD1-CB 3.27Å; N8-C10 PolarHBondContact OD1-N 2.92Å; C10-R12 VanDerWaalsContact C-N 3.32Å; C10-R12 PolarHBondContact O-N 3.13Å; C10-L13 PolarHBondContact O-N 3.15Å; C10-S14 PolarHBondContact O-N 2.98Å; C10-S14 PolarHBondContact O-OG 2.95Å
11R83.3Confident69Low181 Ų181112.1 Ų112.168%0.68357%0.569SS**Hα-helixtrans-63.3-37.5175.5-172.5-179.5178.7-1710.3112N8 V9 R15N8-R11 HydrophobicContact CB-CB 4.15Å; N8-R11 WeakPolarHBondContact O-CB 3.38Å; N8-R11 PolarHBondContact O-N 2.99Å; N8-R11 VanDerWaalsContact O-N 3.12Å; N8-R11 PolarHBondContact OD1-N 2.91Å; V9-R11 VanDerWaalsContact C-N 3.3Å; V9-R11 PolarHBondContact O-N 3.27Å; R11-R15 WeakPolarHBondContact O-CG 3.1Å; R11-R15 PolarHBondContact O-N 3.44Å; R11-R15 VanDerWaalsContact O-N 3.08Å
12R83.3Confident71Confident67 Ų67103.9 Ų103.925%0.25354%0.54SS..Hα-helixtrans-67.6-42.6176-67.5-179.768.9-166.3-0.4111.3N8 V9 C10 R15 R16 G34 I35N8-R12 PolarHBondContact O-N 3.06Å; V9-R12 WeakPolarHBondContact O-CB 3.45Å; V9-R12 PolarHBondContact O-N 2.97Å; C10-R12 VanDerWaalsContact C-N 3.32Å; C10-R12 PolarHBondContact O-N 3.13Å; R12-R15 PolarHBondContact O-N 3.31Å; R12-R16 WeakPolarHBondContact O-CB 3.4Å; R12-R16 PolarHBondContact O-N 2.79Å; R12-G34 PolarHBondContact NH1-O 2.93Å; R12-I35 HydrophobicContact CB-CD1 3.97Å; R12-I35 HydrophobicContact CB-CG1 3.88Å
13L84.3Confident73.2Confident52 Ų52112.3 Ų112.327%0.27255%0.55SS..Hα-helixtrans-60.5-46.8174-76.1168.3000111.8V9 C10 R15 R16 A17 I35 L493V9-L13 HydrophobicContact CG1-CD1 4.2Å; V9-L13 HydrophobicContact CG1-CG 4.47Å; V9-L13 PolarHBondContact O-N 2.81Å; C10-L13 PolarHBondContact O-N 3.15Å; L13-R15 PolarHBondContact O-N 3.34Å; L13-R16 WeakPolarHBondContact O-CB 3.48Å; L13-R16 PolarHBondContact O-N 2.95Å; L13-R16 VanDerWaalsContact O-N 3.14Å; L13-A17 PolarHBondContact O-N 3.14Å; L13-I35 HydrophobicContact CD2-CD1 4.4Å; L13-I35 HydrophobicContact CD2-CG2 3.67Å; L13-I35 HydrophobicContact CG-CG2 3.94Å; L13-L493 HydrophobicContact CD2-CD2 3.83Å
14S84.1Confident75.3Confident67 Ų67104.2 Ų104.247%0.46953%0.525SS..Hα-helixtrans-60.7-43.3176.6-550000111.9C10 R16 A17 L18C10-S14 PolarHBondContact O-N 2.98Å; C10-S14 PolarHBondContact O-OG 2.95Å; S14-R16 VanDerWaalsContact C-N 3.32Å; S14-R16 PolarHBondContact O-N 2.83Å; S14-A17 PolarHBondContact O-N 3.21Å; S14-L18 WeakPolarHBondContact O-CB 3.48Å; S14-L18 VanDerWaalsContact O-CG 3.25Å; S14-L18 WeakPolarHBondContact O-CG 3.43Å; S14-L18 PolarHBondContact O-N 2.87Å
15R84.1Confident77.2Confident102 Ų102102 Ų10239%0.38552%0.52SS..Hα-helixtrans-63.5-37.7175.1-72.6-178.372.6-169.11.6112.2R11 R12 L13 L18 G19 F20 Y21R11-R15 WeakPolarHBondContact O-CG 3.1Å; R11-R15 PolarHBondContact O-N 3.44Å; R11-R15 VanDerWaalsContact O-N 3.08Å; R12-R15 PolarHBondContact O-N 3.31Å; L13-R15 PolarHBondContact O-N 3.34Å; R15-L18 PolarHBondContact O-N 3.5Å; R15-G19 PolarHBondContact O-N 2.99Å; R15-F20 HydrophobicContact CB-CB 4.29Å; R15-F20 HydrophobicContact CB-CD2 4.13Å; R15-F20 HydrophobicContact CB-CG 4.3Å; R15-F20 HydrophobicContact CG-CD2 4.35Å; R15-F20 WeakPolarHBondContact O-CB 3.4Å; R15-F20 VanDerWaalsContact O-CD2 3.31Å; R15-F20 WeakPolarHBondContact O-CD2 3.42Å; R15-F20 PolarHBondContact O-N 3.29Å; R15-F20 VanDerWaalsContact O-N 3.11Å; R15-Y21 HydrophobicContact CB-CE2 3.86Å; R15-Y21 VanDerWaalsContact CZ-OH 3.27Å; R15-Y21 PolarHBondContact NE-OH 3.15Å; R15-Y21 PolarHBondContact NH1-OH 3.16Å
16R83.8Confident79.1Confident63 Ų6391.8 Ų91.824%0.23849%0.491CS..Hα-helixtrans-63.8-46.3174.5-176.5-93.6-172.5175.9-3.6111.2R12 L13 S14 L18 G19 Y21 N32 I35 L493R12-R16 WeakPolarHBondContact O-CB 3.4Å; R12-R16 PolarHBondContact O-N 2.79Å; L13-R16 WeakPolarHBondContact O-CB 3.48Å; L13-R16 PolarHBondContact O-N 2.95Å; L13-R16 VanDerWaalsContact O-N 3.14Å; S14-R16 VanDerWaalsContact C-N 3.32Å; S14-R16 PolarHBondContact O-N 2.83Å; R16-L18 VanDerWaalsContact C-N 3.31Å; R16-L18 PolarHBondContact O-N 2.93Å; R16-G19 PolarHBondContact O-N 3.36Å; R16-G19 VanDerWaalsContact O-N 3.08Å; R16-Y21 HydrophobicContact CB-CD2 4.31Å; R16-N32 PolarHBondContact NE-OD1 2.83Å; R16-N32 VanDerWaalsContact NE-OD1 3.12Å; R16-I35 HydrophobicContact CB-CD1 4.27Å; R16-L493 VanDerWaalsContact CZ-O 3.29Å; R16-L493 PolarHBondContact NH1-O 3.45Å; R16-L493 VanDerWaalsContact NH1-O 3.09Å; R16-L493 PolarHBondContact NH2-O 3.35Å
17A83Confident80.3Confident66 Ų6685 Ų8555%0.54547%0.465SS..Hα-helixtrans-62.6-35.8176.900000112.8L13 S14 G19L13-A17 PolarHBondContact O-N 3.14Å; S14-A17 PolarHBondContact O-N 3.21Å; A17-G19 PolarHBondContact O-N 3.2Å
18L85.5Confident81.4Confident130 Ų13083.6 Ų83.668%0.68145%0.45SS*.THydrogen-bonded Turntrans-77.77.2175.3-67.5170.8000113.8S14 R15 R16 F20S14-L18 WeakPolarHBondContact O-CB 3.48Å; S14-L18 VanDerWaalsContact O-CG 3.25Å; S14-L18 WeakPolarHBondContact O-CG 3.43Å; S14-L18 PolarHBondContact O-N 2.87Å; R15-L18 PolarHBondContact O-N 3.5Å; R16-L18 VanDerWaalsContact C-N 3.31Å; R16-L18 PolarHBondContact O-N 2.93Å; L18-F20 VanDerWaalsContact C-N 3.34Å; L18-F20 HydrophobicContact CB-CD2 3.65Å; L18-F20 HydrophobicContact CB-CE2 3.63Å; L18-F20 HydrophobicContact CD1-CE2 3.95Å; L18-F20 HydrophobicContact CG-CE2 4.46Å; L18-F20 PolarHBondContact O-N 3.45Å
19G81.9Confident81.6Confident38 Ų3884.6 Ų84.639%0.39245%0.451SS..THydrogen-bonded Turntrans74.814.5173.400000115.7R15 R16 A17 Y21 A22R15-G19 PolarHBondContact O-N 2.99Å; R16-G19 PolarHBondContact O-N 3.36Å; R16-G19 VanDerWaalsContact O-N 3.08Å; A17-G19 PolarHBondContact O-N 3.2Å; G19-Y21 PolarHBondContact O-N 2.81Å; G19-A22 WeakPolarHBondContact O-CB 3.48Å; G19-A22 PolarHBondContact O-N 2.83Å; G19-A22 VanDerWaalsContact O-N 3.13Å
20F79.5Confident81.7Confident125 Ų12592.1 Ų92.155%0.54848%0.477SS..THydrogen-bonded Turntrans-59.7-18.5-176.9-82.8-98.5000114.4R15 L18R15-F20 HydrophobicContact CB-CB 4.29Å; R15-F20 HydrophobicContact CB-CD2 4.13Å; R15-F20 HydrophobicContact CB-CG 4.3Å; R15-F20 HydrophobicContact CG-CD2 4.35Å; R15-F20 WeakPolarHBondContact O-CB 3.4Å; R15-F20 VanDerWaalsContact O-CD2 3.31Å; R15-F20 WeakPolarHBondContact O-CD2 3.42Å; R15-F20 PolarHBondContact O-N 3.29Å; R15-F20 VanDerWaalsContact O-N 3.11Å; L18-F20 VanDerWaalsContact C-N 3.34Å; L18-F20 HydrophobicContact CB-CD2 3.65Å; L18-F20 HydrophobicContact CB-CE2 3.63Å; L18-F20 HydrophobicContact CD1-CE2 3.95Å; L18-F20 HydrophobicContact CG-CE2 4.46Å; L18-F20 PolarHBondContact O-N 3.45Å
21Y77.8Confident81.9Confident46 Ų4688.9 Ų88.918%0.1846%0.455CS..THydrogen-bonded Turntrans-114.62.1-176.6-51-68.5000113.1R15 R16 G19 R23 V27 V28 T31R15-Y21 HydrophobicContact CB-CE2 3.86Å; R15-Y21 VanDerWaalsContact CZ-OH 3.27Å; R15-Y21 PolarHBondContact NE-OH 3.15Å; R15-Y21 PolarHBondContact NH1-OH 3.16Å; R16-Y21 HydrophobicContact CB-CD2 4.31Å; G19-Y21 PolarHBondContact O-N 2.81Å; Y21-R23 PolarHBondContact O-N 2.82Å; Y21-R23 VanDerWaalsContact O-N 3.1Å; Y21-V27 HydrophobicContact CD1-CG1 4.32Å; Y21-V28 WeakPolarHBondContact O-CG2 3.41Å; Y21-T31 HydrophobicContact CD2-CG2 3.74Å; Y21-T31 HydrophobicContact CE2-CG2 3.82Å; Y21-T31 HydrophobicContact CG-CG2 4.13Å
22A74.9Confident82Confident74 Ų7481 Ų8161%0.61243%0.426SS*.THydrogen-bonded Turntrans-72.8-2.2-168.600000115.6G19 D24G19-A22 WeakPolarHBondContact O-CB 3.48Å; G19-A22 PolarHBondContact O-N 2.83Å; G19-A22 VanDerWaalsContact O-N 3.13Å; A22-D24 VanDerWaalsContact C-N 3.32Å
23R75.2Confident82.1Confident251 Ų25179.7 Ų79.795%0.94742%0.424SS*.THydrogen-bonded Turntrans-76.8-19.1-176.3-65.9-172.9179.3-167.2-1.1113.6Y21Y21-R23 PolarHBondContact O-N 2.82Å; Y21-R23 VanDerWaalsContact O-N 3.1Å
24D80.4Confident82.2Confident84 Ų8478.3 Ų78.345%0.44942%0.422SS..  trans-144.2121.3-176.1179.4-75.4000109.6A22 G26 V27 V28A22-D24 VanDerWaalsContact C-N 3.32Å; D24-G26 VanDerWaalsContact C-N 3.27Å; D24-G26 PolarHBondContact O-N 3.42Å; D24-G26 VanDerWaalsContact OD1-CA 3.29Å; D24-G26 WeakPolarHBondContact OD1-CA 3.41Å; D24-G26 PolarHBondContact OD1-N 3.39Å; D24-V27 HydrophobicContact CB-CB 3.97Å; D24-V27 HydrophobicContact CB-CG2 3.77Å; D24-V27 PolarHBondContact O-N 2.99Å; D24-V27 VanDerWaalsContact O-N 3.16Å; D24-V27 WeakPolarHBondContact OD1-CG2 3.35Å; D24-V27 PolarHBondContact OD1-N 3.24Å; D24-V28 WeakPolarHBondContact O-CG2 3.3Å; D24-V28 PolarHBondContact O-N 2.88Å
25A79Confident82.4Confident86 Ų8675.1 Ų75.171%0.71140%0.4SS*.Hα-helixtrans-60.3-36.9-176.400000112.4V28 Q29A25-V28 PolarHBondContact O-N 3.25Å; A25-Q29 WeakPolarHBondContact O-CB 3.06Å; A25-Q29 PolarHBondContact O-N 3.39Å
26G82.4Confident82.5Confident29 Ų2970.9 Ų70.930%0.29939%0.385SS..Hα-helixtrans-69.8-35176.900000112.9D24 R30D24-G26 VanDerWaalsContact C-N 3.27Å; D24-G26 PolarHBondContact O-N 3.42Å; D24-G26 VanDerWaalsContact OD1-CA 3.29Å; D24-G26 WeakPolarHBondContact OD1-CA 3.41Å; D24-G26 PolarHBondContact OD1-N 3.39Å; G26-R30 WeakPolarHBondContact O-CB 3.25Å; G26-R30 VanDerWaalsContact O-CG 3.32Å; G26-R30 WeakPolarHBondContact O-CG 3.2Å; G26-R30 PolarHBondContact O-N 2.98Å; G26-R30 PolarHBondContact O-NE 2.75Å
27V82.6Confident82.7Confident49 Ų4971.2 Ų71.230%0.29739%0.386SS..Hα-helixtrans-67.8-40.9172.21770000110.7Y21 D24 T31Y21-V27 HydrophobicContact CD1-CG1 4.32Å; D24-V27 HydrophobicContact CB-CB 3.97Å; D24-V27 HydrophobicContact CB-CG2 3.77Å; D24-V27 PolarHBondContact O-N 2.99Å; D24-V27 VanDerWaalsContact O-N 3.16Å; D24-V27 WeakPolarHBondContact OD1-CG2 3.35Å; D24-V27 PolarHBondContact OD1-N 3.24Å; V27-T31 VanDerWaalsContact O-CB 3.22Å; V27-T31 WeakPolarHBondContact O-CB 3.28Å; V27-T31 PolarHBondContact O-N 2.88Å; V27-T31 PolarHBondContact O-OG1 2.94Å
28V83.1Confident82.9Confident41 Ų4169.6 Ų69.625%0.24837%0.373CS..Hα-helixtrans-59.2-51.6173.91750000110.5Y21 D24 A25 T31 N32Y21-V28 WeakPolarHBondContact O-CG2 3.41Å; D24-V28 WeakPolarHBondContact O-CG2 3.3Å; D24-V28 PolarHBondContact O-N 2.88Å; A25-V28 PolarHBondContact O-N 3.25Å; V28-T31 PolarHBondContact O-N 3.37Å; V28-N32 VanDerWaalsContact O-CG 3.24Å; V28-N32 PolarHBondContact O-N 2.86Å
29Q82.3Confident83Confident120 Ų12066.1 Ų66.156%0.56136%0.355SS*.Hα-helixtrans-59.9-53-178.3-172.9-179.910.800111.4A25 T31 N32 L33A25-Q29 WeakPolarHBondContact O-CB 3.06Å; A25-Q29 PolarHBondContact O-N 3.39Å; Q29-T31 PolarHBondContact O-N 3.28Å; Q29-N32 PolarHBondContact O-N 2.79Å; Q29-N32 VanDerWaalsContact O-N 3.08Å; Q29-L33 HydrophobicContact CG-CD1 4.07Å; Q29-L33 WeakPolarHBondContact O-CG 3.42Å; Q29-L33 PolarHBondContact O-N 3.37Å
30R83.6Confident83.3Confident177 Ų17765 Ų6567%0.66834%0.34SS*.Hα-helixtrans-57.7-37.6177-73.3-175-67.6174-4.2112.4G26 G34G26-R30 WeakPolarHBondContact O-CB 3.25Å; G26-R30 VanDerWaalsContact O-CG 3.32Å; G26-R30 WeakPolarHBondContact O-CG 3.2Å; G26-R30 PolarHBondContact O-N 2.98Å; G26-R30 PolarHBondContact O-NE 2.75Å; R30-G34 PolarHBondContact O-N 3.16Å
31T85.3Confident83.7Confident18 Ų1860 Ų6011%0.1132%0.321CS..Hα-helixtrans-67.3-43.9176.8-60.10000111.4Y21 V27 V28 Q29 G34 I35Y21-T31 HydrophobicContact CD2-CG2 3.74Å; Y21-T31 HydrophobicContact CE2-CG2 3.82Å; Y21-T31 HydrophobicContact CG-CG2 4.13Å; V27-T31 VanDerWaalsContact O-CB 3.22Å; V27-T31 WeakPolarHBondContact O-CB 3.28Å; V27-T31 PolarHBondContact O-N 2.88Å; V27-T31 PolarHBondContact O-OG1 2.94Å; V28-T31 PolarHBondContact O-N 3.37Å; Q29-T31 PolarHBondContact O-N 3.28Å; T31-G34 PolarHBondContact O-N 3.13Å; T31-I35 HydrophobicContact CG2-CD1 3.97Å; T31-I35 VanDerWaalsContact O-CG1 3.27Å; T31-I35 WeakPolarHBondContact O-CG1 3.07Å; T31-I35 PolarHBondContact O-N 3.28Å
32N85.9Confident84.2Confident17 Ų1761.4 Ų61.49%0.09133%0.329CS..Hα-helixtrans-61.8-50.4177.8-69.4-15.2000110.6R16 V28 Q29 G34 I35 L36 L493R16-N32 PolarHBondContact NE-OD1 2.83Å; R16-N32 VanDerWaalsContact NE-OD1 3.12Å; V28-N32 VanDerWaalsContact O-CG 3.24Å; V28-N32 PolarHBondContact O-N 2.86Å; Q29-N32 PolarHBondContact O-N 2.79Å; Q29-N32 VanDerWaalsContact O-N 3.08Å; N32-G34 VanDerWaalsContact C-N 3.32Å; N32-G34 PolarHBondContact O-N 3.29Å; N32-I35 WeakPolarHBondContact O-CB 3.31Å; N32-I35 PolarHBondContact O-N 3.49Å; N32-I35 VanDerWaalsContact O-N 3.09Å; N32-L36 VanDerWaalsContact O-CB 3.28Å; N32-L36 WeakPolarHBondContact O-CB 3.37Å; N32-L36 PolarHBondContact O-N 3.18Å; N32-L493 HydrophobicContact CB-CB 4.45Å; N32-L493 HydrophobicContact CB-CD1 3.77Å; N32-L493 VanDerWaalsContact O-CD1 3.24Å; N32-L493 WeakPolarHBondContact O-CD1 3.49Å
33L85.4Confident84.7Confident38 Ų3866 Ų6620%0.19934%0.338CS..Hα-helixtrans-59.8-42.2176.7-65.9174.2000111.7Q29 I35 L36 R37 E431 L432Q29-L33 HydrophobicContact CG-CD1 4.07Å; Q29-L33 WeakPolarHBondContact O-CG 3.42Å; Q29-L33 PolarHBondContact O-N 3.37Å; L33-I35 VanDerWaalsContact C-N 3.3Å; L33-I35 PolarHBondContact O-N 3.23Å; L33-L36 HydrophobicContact CD2-CD2 4.14Å; L33-L36 WeakPolarHBondContact O-CB 3.42Å; L33-L36 PolarHBondContact O-N 3.12Å; L33-R37 WeakPolarHBondContact O-CB 3.19Å; L33-R37 PolarHBondContact O-N 2.76Å; L33-E431 HydrophobicContact CD2-CB 4.06Å; L33-L432 HydrophobicContact CD2-CD2 4.4Å
34G86.8Confident85.1Confident23 Ų2357.9 Ų57.924%0.23732%0.32CS..Hα-helixtrans-68.4-24.5176.200000114.5R12 R30 T31 N32R12-G34 PolarHBondContact NH1-O 2.93Å; R30-G34 PolarHBondContact O-N 3.16Å; T31-G34 PolarHBondContact O-N 3.13Å; N32-G34 VanDerWaalsContact C-N 3.32Å; N32-G34 PolarHBondContact O-N 3.29Å
35I87.3Confident85.4Confident0 Ų056.1 Ų56.10%031%0.312CS..Hα-helixtrans-76.1-46.1171.2-74.4167.5000109.5V9 R12 L13 R16 T31 N32 L33 A38 L39 L493V9-I35 HydrophobicContact CG1-CG2 4.07Å; R12-I35 HydrophobicContact CB-CD1 3.97Å; R12-I35 HydrophobicContact CB-CG1 3.88Å; L13-I35 HydrophobicContact CD2-CD1 4.4Å; L13-I35 HydrophobicContact CD2-CG2 3.67Å; L13-I35 HydrophobicContact CG-CG2 3.94Å; R16-I35 HydrophobicContact CB-CD1 4.27Å; T31-I35 HydrophobicContact CG2-CD1 3.97Å; T31-I35 VanDerWaalsContact O-CG1 3.27Å; T31-I35 WeakPolarHBondContact O-CG1 3.07Å; T31-I35 PolarHBondContact O-N 3.28Å; N32-I35 WeakPolarHBondContact O-CB 3.31Å; N32-I35 PolarHBondContact O-N 3.49Å; N32-I35 VanDerWaalsContact O-N 3.09Å; L33-I35 VanDerWaalsContact C-N 3.3Å; L33-I35 PolarHBondContact O-N 3.23Å; I35-A38 WeakPolarHBondContact O-CB 3.43Å; I35-A38 PolarHBondContact O-N 3.1Å; I35-A38 VanDerWaalsContact O-N 3.17Å; I35-L39 HydrophobicContact CG2-CD1 4.04Å; I35-L39 WeakPolarHBondContact O-CG 3.23Å; I35-L39 PolarHBondContact O-N 2.96Å; I35-L493 HydrophobicContact CB-CD1 4.41Å; I35-L493 HydrophobicContact CG2-CD1 4.28Å
36L86.9Confident85.5Confident13 Ų1361.2 Ų61.27%0.06832%0.318CS..Hα-helixtrans-60.1-50.2-179.3-174.660.7000112.4N32 L33 A38 L39 V40 L432 C490 L493N32-L36 VanDerWaalsContact O-CB 3.28Å; N32-L36 WeakPolarHBondContact O-CB 3.37Å; N32-L36 PolarHBondContact O-N 3.18Å; L33-L36 HydrophobicContact CD2-CD2 4.14Å; L33-L36 WeakPolarHBondContact O-CB 3.42Å; L33-L36 PolarHBondContact O-N 3.12Å; L36-A38 PolarHBondContact O-N 3.03Å; L36-L39 WeakPolarHBondContact O-CB 3.29Å; L36-L39 PolarHBondContact O-N 2.83Å; L36-V40 WeakPolarHBondContact O-CG2 3.46Å; L36-V40 PolarHBondContact O-N 3.42Å; L36-L432 HydrophobicContact CB-CD2 4.16Å; L36-L432 HydrophobicContact CD2-CD2 3.74Å; L36-L432 HydrophobicContact CG-CD2 3.9Å; L36-C490 HydrophobicContact CD1-CB 3.57Å; L36-C490 WeakPolarHBondContact CD1-SG 3.46Å; L36-C490 HydrophobicContact CD2-CB 3.47Å; L36-C490 VanDerWaalsContact CD2-CB 3.47Å; L36-C490 VanDerWaalsContact CD2-O 3.29Å; L36-C490 WeakPolarHBondContact CD2-O 3.43Å; L36-C490 HydrophobicContact CG-CB 3.7Å; L36-L493 HydrophobicContact CB-CD1 4.25Å
37R87.6Confident85.4Confident70 Ų7063.6 Ų63.626%0.26432%0.32SS..Hα-helixtrans-51.3-45.3172.1-173.7-174.5-170.5-103.67.2111.5L33 L39 V40 C41 L432 L434 C455L33-R37 WeakPolarHBondContact O-CB 3.19Å; L33-R37 PolarHBondContact O-N 2.76Å; R37-L39 PolarHBondContact O-N 3.26Å; R37-V40 PolarHBondContact O-N 3.41Å; R37-C41 WeakPolarHBondContact O-CB 3.41Å; R37-C41 PolarHBondContact O-N 2.94Å; R37-C41 PolarHBondContact O-SG 3.23Å; R37-C41 VanDerWaalsContact O-SG 3.36Å; R37-L432 HydrophobicContact CB-CD2 4.14Å; R37-L432 WeakPolarHBondContact CD-O 3.48Å; R37-L432 PolarHBondContact NE-O 3.37Å; R37-L434 HydrophobicContact CG-CD2 4.33Å; R37-C455 PolarHBondContact NH2-SG 3.47Å
38A88.4Confident85.1Confident33 Ų3370 Ų7027%0.27334%0.344SS..Hα-helixtrans-65.4-38.8179.100000112.4V9 I35 L36 Q42V9-A38 HydrophobicContact CG2-CB 3.85Å; I35-A38 WeakPolarHBondContact O-CB 3.43Å; I35-A38 PolarHBondContact O-N 3.1Å; I35-A38 VanDerWaalsContact O-N 3.17Å; L36-A38 PolarHBondContact O-N 3.03Å; A38-Q42 WeakPolarHBondContact O-CB 3.48Å; A38-Q42 PolarHBondContact O-N 2.88Å; A38-Q42 VanDerWaalsContact O-N 3.12Å
39L87.6Confident84.8Confident57 Ų5771.5 Ų71.530%0.29835%0.35SS..Hα-helixtrans-67.1-46.9175.9-71.2169.6000111.9V9 I35 L36 R37 C41 Q42 T45V9-L39 HydrophobicContact CG1-CD2 3.63Å; V9-L39 HydrophobicContact CG1-CG 3.84Å; I35-L39 HydrophobicContact CG2-CD1 4.04Å; I35-L39 WeakPolarHBondContact O-CG 3.23Å; I35-L39 PolarHBondContact O-N 2.96Å; L36-L39 WeakPolarHBondContact O-CB 3.29Å; L36-L39 PolarHBondContact O-N 2.83Å; R37-L39 PolarHBondContact O-N 3.26Å; L39-C41 PolarHBondContact O-N 3.06Å; L39-Q42 WeakPolarHBondContact O-CB 3.42Å; L39-Q42 PolarHBondContact O-N 2.99Å; L39-T45 VanDerWaalsContact O-CB 3.3Å; L39-T45 WeakPolarHBondContact O-CB 3.39Å; L39-T45 PolarHBondContact O-OG1 3.38Å
40V86.5Confident84.6Confident14 Ų1468.9 Ų68.99%0.08534%0.342CS..Hα-helixtrans-60-47.4-179.8170.40000110.6L36 R37 Q42 F47 L432 F453 K463 C490L36-V40 WeakPolarHBondContact O-CG2 3.46Å; L36-V40 PolarHBondContact O-N 3.42Å; R37-V40 PolarHBondContact O-N 3.41Å; V40-Q42 VanDerWaalsContact C-N 3.31Å; V40-Q42 PolarHBondContact O-N 2.89Å; V40-F47 HydrophobicContact CG1-CZ 4.22Å; V40-L432 HydrophobicContact CG2-CD1 4.46Å; V40-F453 HydrophobicContact CG1-CD2 4.18Å; V40-F453 HydrophobicContact CG1-CE2 3.73Å; V40-F453 HydrophobicContact CG1-CZ 4.44Å; V40-K463 WeakPolarHBondContact O-CD 3.48Å; V40-K463 PolarHBondContact O-NZ 3.3Å; V40-C490 VanDerWaalsContact CG2-SG 3.52Å
41C88.5Confident84.3Confident20 Ų2065.3 Ų65.314%0.13533%0.329CS..THydrogen-bonded Turntrans-81.5-1.9-179.3-59.90000114.2R37 L39 L462R37-C41 WeakPolarHBondContact O-CB 3.41Å; R37-C41 PolarHBondContact O-N 2.94Å; R37-C41 PolarHBondContact O-SG 3.23Å; R37-C41 VanDerWaalsContact O-SG 3.36Å; L39-C41 PolarHBondContact O-N 3.06Å; C41-L462 HydrophobicContact CB-CB 4.15Å
42Q87.6Confident83.9Confident75 Ų7568.1 Ų68.135%0.3535%0.347SS..  trans-69135.2178.4-166.9171.3-30.300110.7A38 L39 V40 S44 T45 K463A38-Q42 WeakPolarHBondContact O-CB 3.48Å; A38-Q42 PolarHBondContact O-N 2.88Å; A38-Q42 VanDerWaalsContact O-N 3.12Å; L39-Q42 WeakPolarHBondContact O-CB 3.42Å; L39-Q42 PolarHBondContact O-N 2.99Å; V40-Q42 VanDerWaalsContact C-N 3.31Å; V40-Q42 PolarHBondContact O-N 2.89Å; Q42-S44 WeakPolarHBondContact CG-OG 3.48Å; Q42-S44 PolarHBondContact NE2-OG 2.88Å; Q42-S44 PolarHBondContact O-N 2.95Å; Q42-T45 WeakPolarHBondContact O-CB 3.37Å; Q42-T45 PolarHBondContact O-N 2.74Å; Q42-K463 PolarHBondContact O-NZ 2.85Å
43E85.7Confident83.6Confident171 Ų17170.2 Ų70.280%0.79936%0.36SS*.THydrogen-bonded Turntrans-57.4-35.9179-72.2170.6-155.500112.7T45E43-T45 VanDerWaalsContact C-N 3.27Å; E43-T45 PolarHBondContact O-N 3.31Å
44S85.1Confident83.3Confident81 Ų8176.3 Ų76.357%0.56639%0.387SS*.THydrogen-bonded Turntrans-73.6-15.6179.662.10000114Q42 K46Q42-S44 WeakPolarHBondContact CG-OG 3.48Å; Q42-S44 PolarHBondContact NE2-OG 2.88Å; Q42-S44 PolarHBondContact O-N 2.95Å; S44-K46 PolarHBondContact O-N 2.9Å
45T85Confident82.8Confident47 Ų4776.9 Ų76.929%0.28839%0.387SS..PPolyproline II helixtrans-75.6118.9179.3-62.80000108.9L39 Q42 E43 K463L39-T45 VanDerWaalsContact O-CB 3.3Å; L39-T45 WeakPolarHBondContact O-CB 3.39Å; L39-T45 PolarHBondContact O-OG1 3.38Å; Q42-T45 WeakPolarHBondContact O-CB 3.37Å; Q42-T45 PolarHBondContact O-N 2.74Å; E43-T45 VanDerWaalsContact C-N 3.27Å; E43-T45 PolarHBondContact O-N 3.31Å; T45-K463 WeakPolarHBondContact O-CE 3.25Å; T45-K463 PolarHBondContact O-NZ 3.27Å
46K82.2Confident82.6Confident193 Ų19387.3 Ų87.384%0.83943%0.433SS*.PPolyproline II helixtrans-100.7136.3178.5-62.9-173.9179.2-175.80110.2S44S44-K46 PolarHBondContact O-N 2.9Å
47F79.7Confident82.3Confident78 Ų7888.4 Ų88.434%0.34244%0.441SS..PPolyproline II helixtrans-88.7135.8169.4-68.8-97.7000108.2V40 F453 K463 I465 F486V40-F47 HydrophobicContact CG1-CZ 4.22Å; F47-F453 HydrophobicContact CZ-CE2 4Å; F47-K463 HydrophobicContact CE2-CD 4.3Å; F47-I465 HydrophobicContact CB-CG2 3.96Å; F47-I465 HydrophobicContact CD1-CD1 4.39Å; F47-I465 HydrophobicContact CD2-CB 4.45Å; F47-I465 HydrophobicContact CD2-CD1 3.44Å; F47-I465 VanDerWaalsContact CD2-CD1 3.44Å; F47-I465 HydrophobicContact CD2-CG1 3.66Å; F47-I465 HydrophobicContact CD2-CG2 3.89Å; F47-I465 HydrophobicContact CE1-CD1 4.16Å; F47-I465 HydrophobicContact CE2-CD1 3.15Å; F47-I465 HydrophobicContact CE2-CG1 3.72Å; F47-I465 HydrophobicContact CG-CD1 4.07Å; F47-I465 HydrophobicContact CG-CG1 4.48Å; F47-I465 HydrophobicContact CG-CG2 4.04Å; F47-I465 HydrophobicContact CZ-CD1 3.56Å; F47-F486 HydrophobicContact CD1-CE1 4.24Å
48K77.4Confident82Confident185 Ų18588 Ų8880%0.80445%0.448SS*.  trans-128.1136.6178-170.6-167.6173.2-174.90107.3V50K48-V50 WeakPolarHBondContact O-CG2 3.4Å; K48-V50 PolarHBondContact O-N 3.12Å
49N75.7Confident81.6Confident71 Ų7189.9 Ų89.938%0.3845%0.453SS..  trans-61.7123.7165.4179.2-21.5000108.9W51 T52 E469N49-W51 PolarHBondContact OD1-N 3.08Å; N49-W51 PolarHBondContact OD1-O 2.71Å; N49-T52 PolarHBondContact ND2-OG1 3.21Å; N49-E469 PolarHBondContact ND2-OE1 2.87Å
50V77.8Confident81.4Confident65 Ų6588.2 Ų88.239%0.39445%0.447SS..  trans-104.4-25.1177.8-174.70000111.6K48 S80 E81K48-V50 WeakPolarHBondContact O-CG2 3.4Å; K48-V50 PolarHBondContact O-N 3.12Å; V50-S80 WeakPolarHBondContact CG1-O 3.21Å; V50-E81 HydrophobicContact CG1-CG 4.21Å
51W78Confident81.2Confident102 Ų10290 Ų9039%0.38645%0.453SS..  trans-164.5138.9-174.5-175.375000111.4N49 T53 I66 F68 V75 P82N49-W51 PolarHBondContact OD1-N 3.08Å; N49-W51 PolarHBondContact OD1-O 2.71Å; W51-T53 HydrophobicContact CE3-CG2 4.4Å; W51-T53 HydrophobicContact CH2-CG2 3.17Å; W51-T53 HydrophobicContact CZ2-CG2 3.7Å; W51-T53 HydrophobicContact CZ3-CG2 3.55Å; W51-I66 HydrophobicContact CZ3-CD1 3.97Å; W51-F68 HydrophobicContact CH2-CE1 4.39Å; W51-F68 AromaticContact CH2-CE2 3.92Å; W51-F68 HydrophobicContact CH2-CE2 3.92Å; W51-F68 AromaticContact CH2-CZ 3.47Å; W51-F68 HydrophobicContact CH2-CZ 3.47Å; W51-F68 VanDerWaalsContact CH2-CZ 3.47Å; W51-F68 AromaticContact CZ3-CZ 3.95Å; W51-F68 HydrophobicContact CZ3-CZ 3.95Å; W51-V75 HydrophobicContact CH2-CG1 4.4Å; W51-V75 HydrophobicContact CH2-CG2 4.43Å; W51-P82 HydrophobicContact CB-CG 3.58Å; W51-P82 HydrophobicContact CD2-CB 4.09Å; W51-P82 HydrophobicContact CD2-CG 3.81Å; W51-P82 HydrophobicContact CE3-CB 4.28Å; W51-P82 HydrophobicContact CE3-CG 3.97Å; W51-P82 HydrophobicContact CG-CB 4.27Å; W51-P82 HydrophobicContact CG-CG 3.68Å
52T77.9Confident80.8Confident78 Ų7891.4 Ų91.448%0.47946%0.457SS..  trans-133.6138.8173-59.80000109N49N49-T52 PolarHBondContact ND2-OG1 3.21Å
53T78.9Confident80.3Confident60 Ų6094.6 Ų94.637%0.36847%0.466SS..  trans-140.8165.5171.3-1650000110.2W51 F68W51-T53 HydrophobicContact CE3-CG2 4.4Å; W51-T53 HydrophobicContact CH2-CG2 3.17Å; W51-T53 HydrophobicContact CZ2-CG2 3.7Å; W51-T53 HydrophobicContact CZ3-CG2 3.55Å; T53-F68 HydrophobicContact CG2-CD1 4.22Å; T53-F68 HydrophobicContact CG2-CE1 3.27Å; T53-F68 HydrophobicContact CG2-CZ 3.51Å
54H78.7Confident80Confident166 Ų16686.5 Ų86.577%0.76943%0.428SS*.  trans-127.9141.9178.5-5482.5000108.8
55S77.5Confident80Confident35 Ų3584.3 Ų84.325%0.24541%0.408CS..  trans-129.6150170.8-172.70000110.3S57 D69S55-S57 VanDerWaalsContact C-N 3.28Å; S55-S57 WeakPolarHBondContact CB-O 3.46Å; S55-S57 PolarHBondContact OG-N 2.81Å; S55-S57 PolarHBondContact OG-O 2.85Å; S55-D69 PolarHBondContact OG-OD1 3.49Å
56K82.8Confident80.2Confident219 Ų21983.3 Ų83.395%0.95240%0.4SS*.SBendtrans-84.1-8.7171.6-60.3-175.1-177-176.70112.1
57S80.9Confident80.5Confident36 Ų3674.2 Ų74.225%0.25236%0.361SS..SBendtrans-115.1161176.6-61.40000109.2S55 I59S55-S57 VanDerWaalsContact C-N 3.28Å; S55-S57 WeakPolarHBondContact CB-O 3.46Å; S55-S57 PolarHBondContact OG-N 2.81Å; S55-S57 PolarHBondContact OG-O 2.85Å; S57-I59 PolarHBondContact O-N 2.81Å
58P79.7Confident81Confident62 Ų6271.1 Ų71.140%0.40335%0.347SS..  trans-53.8140.2175.2-2534.7000111.3
59I81.4Confident81.5Confident72 Ų7265.2 Ų65.237%0.36932%0.324SS..  trans-97.3125175-60.7170.1000106.8S57 I66 Y67 F68S57-I59 PolarHBondContact O-N 2.81Å; I59-I66 HydrophobicContact CG2-CG2 3.47Å; I59-I66 VanDerWaalsContact CG2-CG2 3.47Å; I59-Y67 WeakPolarHBondContact CA-O 3.4Å; I59-F68 HydrophobicContact CB-CE1 4.5Å; I59-F68 HydrophobicContact CD1-CD1 4.22Å; I59-F68 HydrophobicContact CD1-CE1 3.86Å; I59-F68 HydrophobicContact CG1-CD1 3.87Å; I59-F68 HydrophobicContact CG1-CE1 3.89Å; I59-F68 HydrophobicContact CG2-CD1 4.27Å; I59-F68 HydrophobicContact CG2-CE1 3.81Å; I59-F68 HydrophobicContact CG2-CZ 4.38Å
60A83Confident82.2Confident22 Ų2264.4 Ų64.418%0.18232%0.32CS..EExtended strand (participates in β ladder)trans-105.3143.717500000110.1I66 Y67 Y71A60-I66 WeakPolarHBondContact O-CA 3.35Å; A60-Y67 PolarHBondContact N-O 2.87Å; A60-Y67 VanDerWaalsContact N-O 3.17Å; A60-Y67 PolarHBondContact O-N 3.12Å; A60-Y71 HydrophobicContact CB-CE1 3.83Å
61Y82.5Confident82.9Confident52 Ų5262.9 Ų62.920%0.20431%0.308CS..EExtended strand (participates in β ladder)trans-124.5123176.3171.7-92.6000109.6G64 R65 I66 K484 G485 Y488Y61-G64 WeakPolarHBondContact OH-CA 3.37Å; Y61-G64 PolarHBondContact OH-N 2.98Å; Y61-R65 WeakPolarHBondContact CA-O 3.42Å; Y61-I66 HydrophobicContact CD2-CG1 4.03Å; Y61-K484 HydrophobicContact CE1-CB 4.2Å; Y61-G485 VanDerWaalsContact CE1-CA 3.5Å; Y61-Y488 WeakPolarHBondContact OH-CB 3.41Å; Y61-Y488 VanDerWaalsContact OH-CG 3.31Å
62E79.3Confident83.6Confident49 Ų4959.7 Ų59.723%0.22930%0.296CS..EExtended strand (participates in β ladder)trans-141.3118.3176.8-58.8-172.3150.100110.2G64 R65 Y67 L102E62-G64 PolarHBondContact O-N 3.4Å; E62-R65 PolarHBondContact N-O 2.78Å; E62-R65 WeakPolarHBondContact O-CB 3.41Å; E62-R65 PolarHBondContact O-N 3.5Å; E62-Y67 HydrophobicContact CB-CE2 4.23Å; E62-L102 HydrophobicContact CB-CB 4.26Å; E62-L102 HydrophobicContact CB-CD2 4.03Å; E62-L102 WeakPolarHBondContact OE2-CB 3.43Å; E62-L102 PolarHBondContact OE2-N 2.87Å
63R77.6Confident84.3Confident142 Ų14256.9 Ų56.954%0.53628%0.279SS..THydrogen-bonded Turntrans4555.9171.3-59.9-174.5177.6-127.7-3.3114.1R65 L102 E104R63-R65 VanDerWaalsContact C-N 3.3Å; R63-R65 PolarHBondContact O-N 3.14Å; R63-L102 HydrophobicContact CB-CD2 4.03Å; R63-L102 HydrophobicContact CG-CD2 4.33Å; R63-E104 VanDerWaalsContact CD-OE1 3.28Å; R63-E104 WeakPolarHBondContact CD-OE1 3.07Å; R63-E104 WeakPolarHBondContact CD-OE2 3.46Å; R63-E104 IonicContact CZ-OE2 2.81Å; R63-E104 IonicContact NE-OE2 3.73Å; R63-E104 PolarHBondContact NE-OE2 3.41Å; R63-E104 IonicContact NH1-OE2 3.97Å; R63-E104 PolarHBondContact NH1-OE2 2.86Å
64G79.1Confident85Confident1 Ų154 Ų541%0.0126%0.261CS..THydrogen-bonded Turntrans76.611.6178.400000115.1Y61 E62 S76 S77Y61-G64 WeakPolarHBondContact OH-CA 3.37Å; Y61-G64 PolarHBondContact OH-N 2.98Å; E62-G64 PolarHBondContact O-N 3.4Å; G64-S76 CarbonylContact O-C 3.6Å; G64-S76 WeakPolarHBondContact O-CA 3.36Å; G64-S77 WeakPolarHBondContact CA-OG 3.43Å; G64-S77 PolarHBondContact O-N 2.74Å; G64-S77 PolarHBondContact O-OG 3.18Å
65R86.1Confident85.6Confident35 Ų3546.7 Ų46.713%0.13223%0.228CC..EExtended strand (participates in β ladder)trans-116.5134.4174.1-60177.4-17784.1-8.7109.6Y61 E62 R63 Y67 L85 E104 S119Y61-R65 WeakPolarHBondContact CA-O 3.42Å; E62-R65 PolarHBondContact N-O 2.78Å; E62-R65 WeakPolarHBondContact O-CB 3.41Å; E62-R65 PolarHBondContact O-N 3.5Å; R63-R65 VanDerWaalsContact C-N 3.3Å; R63-R65 PolarHBondContact O-N 3.14Å; R65-Y67 HydrophobicContact CB-CD2 4.44Å; R65-Y67 HydrophobicContact CB-CE2 3.69Å; R65-Y67 WeakPolarHBondContact CD-OH 3.32Å; R65-L85 HydrophobicContact CG-CD1 4.44Å; R65-E104 IonicContact NH1-OE1 2.65Å; R65-E104 PolarHBondContact NH1-OE1 3.08Å; R65-S119 PolarHBondContact NH2-OG 3.47Å; R65-S119 VanDerWaalsContact NH2-OG 3.12Å
66I88.4Confident86.1Confident26 Ų2646 Ų4613%0.13322%0.223CC..EExtended strand (participates in β ladder)trans-113.4121177.1-46.9168.5000107.6W51 I59 A60 Y61 F68 C74 V75W51-I66 HydrophobicContact CZ3-CD1 3.97Å; I59-I66 HydrophobicContact CG2-CG2 3.47Å; I59-I66 VanDerWaalsContact CG2-CG2 3.47Å; A60-I66 WeakPolarHBondContact O-CA 3.35Å; Y61-I66 HydrophobicContact CD2-CG1 4.03Å; I66-F68 HydrophobicContact CB-CE2 3.94Å; I66-F68 HydrophobicContact CB-CZ 3.95Å; I66-F68 HydrophobicContact CG2-CE1 3.92Å; I66-F68 HydrophobicContact CG2-CE2 3.67Å; I66-F68 HydrophobicContact CG2-CZ 3.23Å; I66-F68 WeakPolarHBondContact O-CE2 3.45Å; I66-C74 WeakPolarHBondContact O-CA 3.37Å; I66-V75 PolarHBondContact N-O 2.89Å; I66-V75 PolarHBondContact O-N 2.76Å
67Y88.5Confident86.1Confident2 Ų236.5 Ų36.51%0.00818%0.184CC..EExtended strand (participates in β ladder)trans-106.1135-175.7-65.1-81.3000111.1I59 A60 E62 R65 Y71 C73 C74 Y86 L121I59-Y67 WeakPolarHBondContact CA-O 3.4Å; A60-Y67 PolarHBondContact N-O 2.87Å; A60-Y67 VanDerWaalsContact N-O 3.17Å; A60-Y67 PolarHBondContact O-N 3.12Å; E62-Y67 HydrophobicContact CB-CE2 4.23Å; R65-Y67 HydrophobicContact CB-CD2 4.44Å; R65-Y67 HydrophobicContact CB-CE2 3.69Å; R65-Y67 WeakPolarHBondContact CD-OH 3.32Å; Y67-Y71 AromaticContact CD1-CD1 3.66Å; Y67-Y71 HydrophobicContact CD1-CD1 3.66Å; Y67-Y71 HydrophobicContact CD1-CG 4.43Å; Y67-Y71 AromaticContact CD2-CD1 3.93Å; Y67-Y71 HydrophobicContact CD2-CD1 3.93Å; Y67-Y71 HydrophobicContact CD2-CE1 4Å; Y67-Y71 HydrophobicContact CE1-CD1 4.26Å; Y67-Y71 AromaticContact CG-CD1 3.46Å; Y67-Y71 HydrophobicContact CG-CD1 3.46Å; Y67-Y71 VanDerWaalsContact CG-CD1 3.46Å; Y67-Y71 AromaticContact CG-CE1 3.95Å; Y67-Y71 HydrophobicContact CG-CE1 3.95Å; Y67-Y71 HydrophobicContact CG-CG 4.41Å; Y67-C73 WeakPolarHBondContact CA-O 3.44Å; Y67-C74 HydrophobicContact CD1-CB 3.89Å; Y67-C74 HydrophobicContact CE1-CB 3.87Å; Y67-C74 VanDerWaalsContact CE1-SG 3.59Å; Y67-Y86 WeakPolarHBondContact CE1-OH 3.38Å; Y67-L121 HydrophobicContact CE1-CD1 4.36Å; Y67-L121 HydrophobicContact CE1-CD2 4.45Å
68F89.3Confident86Confident13 Ų1339 Ų396%0.05720%0.198CC..EExtended strand (participates in β ladder)trans-125.8163.1179.8-52.8-84000110.9W51 T53 I59 I66 N70 Y71 R72 C73 V75W51-F68 HydrophobicContact CH2-CE1 4.39Å; W51-F68 AromaticContact CH2-CE2 3.92Å; W51-F68 HydrophobicContact CH2-CE2 3.92Å; W51-F68 AromaticContact CH2-CZ 3.47Å; W51-F68 HydrophobicContact CH2-CZ 3.47Å; W51-F68 VanDerWaalsContact CH2-CZ 3.47Å; W51-F68 AromaticContact CZ3-CZ 3.95Å; W51-F68 HydrophobicContact CZ3-CZ 3.95Å; T53-F68 HydrophobicContact CG2-CD1 4.22Å; T53-F68 HydrophobicContact CG2-CE1 3.27Å; T53-F68 HydrophobicContact CG2-CZ 3.51Å; I59-F68 HydrophobicContact CB-CE1 4.5Å; I59-F68 HydrophobicContact CD1-CD1 4.22Å; I59-F68 HydrophobicContact CD1-CE1 3.86Å; I59-F68 HydrophobicContact CG1-CD1 3.87Å; I59-F68 HydrophobicContact CG1-CE1 3.89Å; I59-F68 HydrophobicContact CG2-CD1 4.27Å; I59-F68 HydrophobicContact CG2-CE1 3.81Å; I59-F68 HydrophobicContact CG2-CZ 4.38Å; I66-F68 HydrophobicContact CB-CE2 3.94Å; I66-F68 HydrophobicContact CB-CZ 3.95Å; I66-F68 HydrophobicContact CG2-CE1 3.92Å; I66-F68 HydrophobicContact CG2-CE2 3.67Å; I66-F68 HydrophobicContact CG2-CZ 3.23Å; I66-F68 WeakPolarHBondContact O-CE2 3.45Å; F68-N70 PolarHBondContact O-N 2.9Å; F68-Y71 PolarHBondContact O-N 2.81Å; F68-Y71 VanDerWaalsContact O-N 3.1Å; F68-R72 PolarHBondContact O-N 3.35Å; F68-R72 VanDerWaalsContact O-N 3.15Å; F68-C73 HydrophobicContact CB-CB 4.15Å; F68-C73 PolarHBondContact N-O 3.12Å; F68-C73 PolarHBondContact O-N 2.86Å; F68-V75 HydrophobicContact CD2-CG2 4.2Å; F68-V75 HydrophobicContact CE2-CB 4.02Å; F68-V75 HydrophobicContact CE2-CG2 3.69Å
69D88.8Confident85.8Confident61 Ų6137.5 Ų37.533%0.32619%0.19SC..THydrogen-bonded Turntrans5342.6172.6-61.7-16.6000112.8S55 R72S55-D69 PolarHBondContact OG-OD1 3.49Å; D69-R72 HydrophobicContact CB-CB 4.46Å
70N90.1Very high85.5Confident54 Ų5438.3 Ų38.329%0.28920%0.203SC..THydrogen-bonded Turntrans58.361.4-173.1-41.3-75.3000111.1F68 R72 I97F68-N70 PolarHBondContact O-N 2.9Å; N70-R72 PolarHBondContact O-N 3.45Å; N70-I97 HydrophobicContact CB-CB 4.35Å; N70-I97 WeakPolarHBondContact CB-O 3.41Å; N70-I97 WeakPolarHBondContact O-CB 3.32Å; N70-I97 WeakPolarHBondContact O-CD1 3.3Å
71Y92.4Very high85.3Confident34 Ų3443.4 Ų43.413%0.13322%0.223CC..THydrogen-bonded Turntrans63.74.3176.9-54.8-91.3000117.2A60 Y67 F68 Y86 I97 A100 L121A60-Y71 HydrophobicContact CB-CE1 3.83Å; Y67-Y71 AromaticContact CD1-CD1 3.66Å; Y67-Y71 HydrophobicContact CD1-CD1 3.66Å; Y67-Y71 HydrophobicContact CD1-CG 4.43Å; Y67-Y71 AromaticContact CD2-CD1 3.93Å; Y67-Y71 HydrophobicContact CD2-CD1 3.93Å; Y67-Y71 HydrophobicContact CD2-CE1 4Å; Y67-Y71 HydrophobicContact CE1-CD1 4.26Å; Y67-Y71 AromaticContact CG-CD1 3.46Å; Y67-Y71 HydrophobicContact CG-CD1 3.46Å; Y67-Y71 VanDerWaalsContact CG-CD1 3.46Å; Y67-Y71 AromaticContact CG-CE1 3.95Å; Y67-Y71 HydrophobicContact CG-CE1 3.95Å; Y67-Y71 HydrophobicContact CG-CG 4.41Å; F68-Y71 PolarHBondContact O-N 2.81Å; F68-Y71 VanDerWaalsContact O-N 3.1Å; Y71-Y86 WeakPolarHBondContact O-CE2 3.42Å; Y71-Y86 PolarHBondContact O-OH 3.14Å; Y71-I97 HydrophobicContact CD2-CG2 3.93Å; Y71-A100 HydrophobicContact CD1-CB 3.83Å; Y71-A100 HydrophobicContact CD2-CB 3.64Å; Y71-A100 HydrophobicContact CE1-CB 3.89Å; Y71-A100 HydrophobicContact CE2-CB 3.69Å; Y71-A100 HydrophobicContact CG-CB 3.72Å; Y71-L121 HydrophobicContact CD1-CD1 4.01Å; Y71-L121 HydrophobicContact CD1-CD2 4.03Å; Y71-L121 HydrophobicContact CE1-CD1 4.42Å; Y71-L121 HydrophobicContact CG-CD2 4.1Å
72R92.6Very high85.4Confident35 Ų3542.5 Ų42.513%0.13222%0.223CC..THydrogen-bonded Turntrans-75.4-24179.3-74.4-176.855.3-100.1-16113.6F68 D69 N70 Y86 E87 M88 P89 K90 I97F68-R72 PolarHBondContact O-N 3.35Å; F68-R72 VanDerWaalsContact O-N 3.15Å; D69-R72 HydrophobicContact CB-CB 4.46Å; N70-R72 PolarHBondContact O-N 3.45Å; R72-Y86 WeakPolarHBondContact O-CE2 3.46Å; R72-E87 CarbonylContact O-C 3.56Å; R72-E87 WeakPolarHBondContact O-CA 3.41Å; R72-M88 HydrophobicContact CB-CB 4.28Å; R72-M88 HydrophobicContact CG-CB 4.4Å; R72-M88 HydrophobicContact CG-SD 4.33Å; R72-M88 PolarHBondContact NH2-O 3.13Å; R72-M88 PolarHBondContact O-N 3.36Å; R72-P89 PolarHBondContact NE-O 3.35Å; R72-P89 VanDerWaalsContact NE-O 3.16Å; R72-P89 PolarHBondContact NH2-O 2.98Å; R72-K90 VanDerWaalsContact NH2-CA 3.26Å; R72-I97 HydrophobicContact CG-CD1 4.45Å
73C92.8Very high85.9Confident19 Ų1948 Ų4813%0.12824%0.242CC..EExtended strand (participates in β ladder)trans-122.4131.4174.7178.30000108.7Y67 F68Y67-C73 WeakPolarHBondContact CA-O 3.44Å; F68-C73 HydrophobicContact CB-CB 4.15Å; F68-C73 PolarHBondContact N-O 3.12Å; F68-C73 PolarHBondContact O-N 2.86Å
74C93.5Very high86.6Confident0 Ų046.7 Ų46.70%024%0.24CC..EExtended strand (participates in β ladder)trans-126133.3179.6-178.50000110.3I66 Y67 L85 Y86I66-C74 WeakPolarHBondContact O-CA 3.37Å; Y67-C74 HydrophobicContact CD1-CB 3.89Å; Y67-C74 HydrophobicContact CE1-CB 3.87Å; Y67-C74 VanDerWaalsContact CE1-SG 3.59Å; C74-L85 HydrophobicContact CB-CB 4.46Å; C74-L85 PolarHBondContact O-N 2.9Å; C74-Y86 HydrophobicContact CB-CD1 3.65Å; C74-Y86 HydrophobicContact CB-CD2 4.44Å; C74-Y86 HydrophobicContact CB-CE1 3.2Å; C74-Y86 HydrophobicContact CB-CE2 4.06Å; C74-Y86 HydrophobicContact CB-CG 4.25Å; C74-Y86 VanDerWaalsContact CB-CZ 3.43Å; C74-Y86 PolarHBondContact N-O 3.47Å; C74-Y86 VanDerWaalsContact N-O 3.11Å; C74-Y86 PolarHBondContact O-N 3.03Å
75V90.6Very high87.3Confident12 Ų1249.7 Ų49.77%0.07326%0.256CS..EExtended strand (participates in β ladder)trans-121.8128.8175.5-179.40000108.4W51 I66 F68 P82 R83W51-V75 HydrophobicContact CH2-CG1 4.4Å; W51-V75 HydrophobicContact CH2-CG2 4.43Å; I66-V75 PolarHBondContact N-O 2.89Å; I66-V75 PolarHBondContact O-N 2.76Å; F68-V75 HydrophobicContact CD2-CG2 4.2Å; F68-V75 HydrophobicContact CE2-CB 4.02Å; F68-V75 HydrophobicContact CE2-CG2 3.69Å; V75-P82 HydrophobicContact CG1-CB 3.4Å; V75-R83 CarbonylContact C-O 3.56Å; V75-R83 WeakPolarHBondContact CA-O 3.38Å
76S88.4Confident87.8Confident20 Ų2048.5 Ų48.514%0.1425%0.251CS..EExtended strand (participates in β ladder)trans-80.7132.7171.4-1800000110.4G64 V78 P82 R83G64-S76 CarbonylContact O-C 3.6Å; G64-S76 WeakPolarHBondContact O-CA 3.36Å; S76-V78 PolarHBondContact OG-N 3.45Å; S76-P82 CarbonylContact O-C 3.53Å; S76-P82 WeakPolarHBondContact O-CA 3.31Å; S76-R83 PolarHBondContact N-O 3.2Å; S76-R83 PolarHBondContact O-N 2.87Å
77S82.3Confident88.1Confident19 Ų1952.5 Ų52.513%0.13327%0.269CS..  trans-97.92.7174.167.20000113.8G64G64-S77 WeakPolarHBondContact CA-OG 3.43Å; G64-S77 PolarHBondContact O-N 2.74Å; G64-S77 PolarHBondContact O-OG 3.18Å
78V78.9Confident88.3Confident90 Ų9053.9 Ų53.955%0.54528%0.276SS..SBendtrans-71.5-32.2-174.8-178.90000112.2S76S76-V78 PolarHBondContact OG-N 3.45Å
79A76.5Confident88.4Confident29 Ų2958.7 Ų58.724%0.2431%0.309CS..SBendtrans-78.8169-179.700000113E81 R83 R489A79-E81 WeakPolarHBondContact CB-O 3.47Å; A79-E81 PolarHBondContact O-N 3.31Å; A79-E81 VanDerWaalsContact O-N 3.1Å; A79-R83 HydrophobicContact CB-CG 4.37Å; A79-R489 PolarHBondContact O-NH2 3.31Å
80S74.1Confident88.3Confident89 Ų8965 Ų6562%0.62233%0.333SS*.SBendtrans-59.9-19.5177.260.60000114V50 R489V50-S80 WeakPolarHBondContact CG1-O 3.21Å; S80-R489 PolarHBondContact O-NH2 3.2Å
81E79.2Confident88.1Confident130 Ų13065 Ų6561%0.60734%0.337SS*.SBendtrans-139.1143.8168.9-66.8-177.7169.600107.6V50 A79 R83V50-E81 HydrophobicContact CG1-CG 4.21Å; A79-E81 WeakPolarHBondContact CB-O 3.47Å; A79-E81 PolarHBondContact O-N 3.31Å; A79-E81 VanDerWaalsContact O-N 3.1Å; E81-R83 PolarHBondContact O-N 2.8Å
82P84.9Confident87.9Confident33 Ų3365.7 Ų65.721%0.21435%0.347CS..  trans-59.6131.4179.7-25.937.3000111.7W51 V75 S76W51-P82 HydrophobicContact CB-CG 3.58Å; W51-P82 HydrophobicContact CD2-CB 4.09Å; W51-P82 HydrophobicContact CD2-CG 3.81Å; W51-P82 HydrophobicContact CE3-CB 4.28Å; W51-P82 HydrophobicContact CE3-CG 3.97Å; W51-P82 HydrophobicContact CG-CB 4.27Å; W51-P82 HydrophobicContact CG-CG 3.68Å; V75-P82 HydrophobicContact CG1-CB 3.4Å; S76-P82 CarbonylContact O-C 3.53Å; S76-P82 WeakPolarHBondContact O-CA 3.31Å
83R89.9Confident87.5Confident165 Ų16572.9 Ų72.962%0.62338%0.379SS*.EExtended strand (participates in β ladder)trans-115.7126-178.1-69.9-175.1-179.8-177.50110.5V75 S76 A79 E81 L85V75-R83 CarbonylContact C-O 3.56Å; V75-R83 WeakPolarHBondContact CA-O 3.38Å; S76-R83 PolarHBondContact N-O 3.2Å; S76-R83 PolarHBondContact O-N 2.87Å; A79-R83 HydrophobicContact CB-CG 4.37Å; E81-R83 PolarHBondContact O-N 2.8Å; R83-L85 PolarHBondContact O-N 3.3Å
84K93Very high87.1Confident114 Ų11475.5 Ų75.550%0.49640%0.397SS..EExtended strand (participates in β ladder)trans-62.2122.8172.7-173.3178.4178.9-178.30109.7E87K84-E87 VanDerWaalsContact NZ-CB 3.34Å; K84-E87 IonicContact NZ-OE2 2.61Å; K84-E87 PolarHBondContact NZ-OE2 2.92Å
85L93.5Very high86.8Confident64 Ų6479.8 Ų79.834%0.33542%0.417SS..EExtended strand (participates in β ladder)trans-85.4-50.4175.6-63.8-174.2000110.2R65 C74 R83R65-L85 HydrophobicContact CG-CD1 4.44Å; C74-L85 HydrophobicContact CB-CB 4.46Å; C74-L85 PolarHBondContact O-N 2.9Å; R83-L85 PolarHBondContact O-N 3.3Å
86Y95.8Very high86.9Confident10 Ų1082.8 Ų82.84%0.03943%0.429CS..EExtended strand (participates in β ladder)trans-152.4161.2178.868.7-100.3000112.3Y67 Y71 R72 C74 M88 T137Y67-Y86 WeakPolarHBondContact CE1-OH 3.38Å; Y71-Y86 WeakPolarHBondContact O-CE2 3.42Å; Y71-Y86 PolarHBondContact O-OH 3.14Å; R72-Y86 WeakPolarHBondContact O-CE2 3.46Å; C74-Y86 HydrophobicContact CB-CD1 3.65Å; C74-Y86 HydrophobicContact CB-CD2 4.44Å; C74-Y86 HydrophobicContact CB-CE1 3.2Å; C74-Y86 HydrophobicContact CB-CE2 4.06Å; C74-Y86 HydrophobicContact CB-CG 4.25Å; C74-Y86 VanDerWaalsContact CB-CZ 3.43Å; C74-Y86 PolarHBondContact N-O 3.47Å; C74-Y86 VanDerWaalsContact N-O 3.11Å; C74-Y86 PolarHBondContact O-N 3.03Å; Y86-M88 HydrophobicContact CD2-CG 3.96Å; Y86-M88 HydrophobicContact CE2-CG 3.93Å; Y86-M88 HydrophobicContact CE2-SD 4.34Å; Y86-T137 VanDerWaalsContact CB-C 3.45Å; Y86-T137 VanDerWaalsContact CB-O 3.31Å; Y86-T137 WeakPolarHBondContact CB-O 3.43Å
87E95.4Very high87.2Confident109 Ų10982 Ų8251%0.50942%0.424SS..EExtended strand (participates in β ladder)trans-138.5120.9160.9170.8177.4-157.900108.5R72 K84R72-E87 CarbonylContact O-C 3.56Å; R72-E87 WeakPolarHBondContact O-CA 3.41Å; K84-E87 VanDerWaalsContact NZ-CB 3.34Å; K84-E87 IonicContact NZ-OE2 2.61Å; K84-E87 PolarHBondContact NZ-OE2 2.92Å
88M93.3Very high87.7Confident32 Ų3283.9 Ų83.916%0.15843%0.43CS..PPolyproline II helixtrans-74.2153178.1-60.8179.87900110.7R72 Y86 I133 V140R72-M88 HydrophobicContact CB-CB 4.28Å; R72-M88 HydrophobicContact CG-CB 4.4Å; R72-M88 HydrophobicContact CG-SD 4.33Å; R72-M88 PolarHBondContact NH2-O 3.13Å; R72-M88 PolarHBondContact O-N 3.36Å; Y86-M88 HydrophobicContact CD2-CG 3.96Å; Y86-M88 HydrophobicContact CE2-CG 3.93Å; Y86-M88 HydrophobicContact CE2-SD 4.34Å; M88-I133 HydrophobicContact CE-CD1 4Å; M88-I133 HydrophobicContact SD-CD1 4.26Å; M88-V140 HydrophobicContact CE-CG2 4.24Å
89P90.3Very high88.4Confident114 Ų11481.4 Ų81.474%0.7441%0.414SS*.PPolyproline II helixtrans-54.8151.6173.3-24.834000112.9R72 C91R72-P89 PolarHBondContact NE-O 3.35Å; R72-P89 VanDerWaalsContact NE-O 3.16Å; R72-P89 PolarHBondContact NH2-O 2.98Å; P89-C91 PolarHBondContact O-N 2.95Å
90K87.8Confident89.3Confident193 Ų19380 Ų8084%0.83940%0.403SS*.PPolyproline II helixtrans-63.6128.3174.4-70.3-176.5-178.6176.80109.1R72R72-K90 VanDerWaalsContact NH2-CA 3.26Å
91C85.8Confident90.2Very high54 Ų5476.7 Ų76.737%0.36538%0.378SS..  trans-114.4163.1179.7690000110.8P89 E95P89-C91 PolarHBondContact O-N 2.95Å; C91-E95 HydrophobicContact CB-CB 3.79Å
92S87.8Confident90.8Very high49 Ų4970.8 Ų70.834%0.34335%0.35SS..  trans-65.1161.4173.764.70000111.2S94 E95 K96S92-S94 PolarHBondContact O-N 3.35Å; S92-S94 PolarHBondContact OG-OG 3.16Å; S92-E95 WeakPolarHBondContact CB-OE2 3.43Å; S92-E95 PolarHBondContact N-OE2 3.01Å; S92-E95 PolarHBondContact O-N 3.33Å; S92-E95 VanDerWaalsContact OG-CD 3.27Å; S92-E95 WeakPolarHBondContact OG-CG 3.45Å; S92-E95 PolarHBondContact OG-OE2 3.07Å; S92-K96 PolarHBondContact O-N 3.32Å
93K84.9Confident91Very high186 Ų18669.3 Ų69.381%0.80934%0.34SS*.G310 helixtrans-60.3-26.4174.7-73.2-174.2178.6-179.50112.8E95 K96K93-E95 VanDerWaalsContact C-N 3.25Å; K93-E95 PolarHBondContact O-N 2.93Å; K93-K96 WeakPolarHBondContact O-CG 3.16Å
94S82.7Confident90.8Very high73 Ų7363.7 Ų63.751%0.5132%0.321SS..G310 helixtrans-68.4-24.3174.229.40000113.2S92 A126 H127S92-S94 PolarHBondContact O-N 3.35Å; S92-S94 PolarHBondContact OG-OG 3.16Å; S94-A126 WeakPolarHBondContact O-CB 3.44Å; S94-H127 WeakPolarHBondContact O-CB 3.46Å; S94-H127 PolarHBondContact O-N 2.87Å; S94-H127 PolarHBondContact O-ND1 2.92Å
95E87.6Confident90.1Very high91 Ų9160 Ų6043%0.42531%0.309SS..G310 helixtrans-1010.6-176.1-67.8164.4140.300113.9C91 S92 K93 H127C91-E95 HydrophobicContact CB-CB 3.79Å; S92-E95 WeakPolarHBondContact CB-OE2 3.43Å; S92-E95 PolarHBondContact N-OE2 3.01Å; S92-E95 PolarHBondContact O-N 3.33Å; S92-E95 VanDerWaalsContact OG-CD 3.27Å; S92-E95 WeakPolarHBondContact OG-CG 3.45Å; S92-E95 PolarHBondContact OG-OE2 3.07Å; K93-E95 VanDerWaalsContact C-N 3.25Å; K93-E95 PolarHBondContact O-N 2.93Å; E95-H127 VanDerWaalsContact CA-CE1 3.48Å; E95-H127 WeakPolarHBondContact CA-CE1 2.93Å; E95-H127 WeakPolarHBondContact CA-ND1 3.45Å
96K92.3Very high89.2Confident74 Ų7458.9 Ų58.932%0.32231%0.306SS..  trans-57.4143.6178.874.6-173.4180102.90110.8S92 K93 E98 T125 A126S92-K96 PolarHBondContact O-N 3.32Å; K93-K96 WeakPolarHBondContact O-CG 3.16Å; K96-E98 WeakPolarHBondContact CE-OE1 3.31Å; K96-E98 IonicContact NZ-OE1 3.31Å; K96-E98 PolarHBondContact NZ-OE1 3.1Å; K96-E98 IonicContact NZ-OE2 3.39Å; K96-E98 PolarHBondContact NZ-OE2 3.29Å; K96-T125 CarbonylContact O-C 3.52Å; K96-T125 WeakPolarHBondContact O-CA 3.29Å; K96-A126 HydrophobicContact CG-CB 3.75Å; K96-A126 PolarHBondContact O-N 2.87Å
97I94.4Very high87.8Confident5 Ų565.5 Ų65.53%0.02635%0.347CS..EExtended strand (participates in β ladder)trans-71127.9167.3-62.1171.1000106.8N70 Y71 R72 D99 A100 A123 L124 I133N70-I97 HydrophobicContact CB-CB 4.35Å; N70-I97 WeakPolarHBondContact CB-O 3.41Å; N70-I97 WeakPolarHBondContact O-CB 3.32Å; N70-I97 WeakPolarHBondContact O-CD1 3.3Å; Y71-I97 HydrophobicContact CD2-CG2 3.93Å; R72-I97 HydrophobicContact CG-CD1 4.45Å; I97-D99 WeakPolarHBondContact CG2-O 3.24Å; I97-A100 HydrophobicContact CG2-CB 4.28Å; I97-A123 HydrophobicContact CD1-CB 4.02Å; I97-A123 HydrophobicContact CG1-CB 4.21Å; I97-A123 HydrophobicContact CG2-CB 4.01Å; I97-L124 CarbonylContact C-O 3.59Å; I97-L124 WeakPolarHBondContact CA-O 3.39Å; I97-I133 HydrophobicContact CD1-CD1 4.19Å
98E93.2Very high86.4Confident58 Ų5864 Ų6427%0.27136%0.361SS..EExtended strand (participates in β ladder)trans-91-38.7175.4-65.2-72.3-171.100110.8K96 L124 A126 R153K96-E98 WeakPolarHBondContact CE-OE1 3.31Å; K96-E98 IonicContact NZ-OE1 3.31Å; K96-E98 PolarHBondContact NZ-OE1 3.1Å; K96-E98 IonicContact NZ-OE2 3.39Å; K96-E98 PolarHBondContact NZ-OE2 3.29Å; E98-L124 PolarHBondContact N-O 2.81Å; E98-A126 HydrophobicContact CG-CB 3.85Å; E98-A126 WeakPolarHBondContact OE1-CB 3.5Å; E98-R153 IonicContact OE1-CZ 3.14Å; E98-R153 IonicContact OE1-NH1 3.28Å; E98-R153 PolarHBondContact OE1-NH1 2.98Å
99D94.3Very high85.4Confident37 Ų3767.3 Ų67.320%0.19838%0.379CS..EExtended strand (participates in β ladder)trans-154.1157.1-177.6-153.4-8.8000110.4I97 L124 Y154 L155I97-D99 WeakPolarHBondContact CG2-O 3.24Å; D99-L124 PolarHBondContact O-N 2.87Å; D99-Y154 WeakPolarHBondContact OD2-CA 3.5Å; D99-L155 HydrophobicContact CB-CB 4.19Å; D99-L155 HydrophobicContact CB-CG 4.4Å; D99-L155 PolarHBondContact OD2-N 2.71Å
100A94.3Very high84.8Confident1 Ų169.4 Ų69.41%0.00838%0.383CS..EExtended strand (participates in β ladder)trans-155.4156.4177.400000113Y71 I97 L121 I122 A123Y71-A100 HydrophobicContact CD1-CB 3.83Å; Y71-A100 HydrophobicContact CD2-CB 3.64Å; Y71-A100 HydrophobicContact CE1-CB 3.89Å; Y71-A100 HydrophobicContact CE2-CB 3.69Å; Y71-A100 HydrophobicContact CG-CB 3.72Å; I97-A100 HydrophobicContact CG2-CB 4.28Å; A100-L121 HydrophobicContact CB-CD1 3.8Å; A100-L121 HydrophobicContact CB-CD2 4.01Å; A100-L121 HydrophobicContact CB-CG 3.9Å; A100-I122 CarbonylContact C-O 3.48Å; A100-I122 WeakPolarHBondContact CA-O 3.48Å; A100-I122 WeakPolarHBondContact CB-O 3.32Å; A100-A123 HydrophobicContact CB-CB 4.13Å
101L93.3Very high84.5Confident18 Ų1861 Ų619%0.09435%0.347CS..EExtended strand (participates in β ladder)trans-131.3131.4175.4-62.3172.4000109.9W103 I122 L155 W157 I164L101-W103 PolarHBondContact O-N 3.19Å; L101-I122 PolarHBondContact N-O 2.88Å; L101-I122 PolarHBondContact O-N 2.91Å; L101-L155 HydrophobicContact CD1-CB 3.99Å; L101-L155 HydrophobicContact CG-CB 4.02Å; L101-W157 HydrophobicContact CB-CZ2 3.88Å; L101-W157 HydrophobicContact CD1-CD2 4.07Å; L101-W157 HydrophobicContact CD1-CG 4.19Å; L101-W157 HydrophobicContact CD1-CZ2 4.31Å; L101-I164 HydrophobicContact CD1-CG2 3.98Å
102L91.9Very high84Confident6 Ų662.9 Ų62.93%0.03136%0.358CS..EExtended strand (participates in β ladder)trans-74.1124.5168178.368.3000110.9E62 R63 E104 A135 W157 Q161E62-L102 HydrophobicContact CB-CB 4.26Å; E62-L102 HydrophobicContact CB-CD2 4.03Å; E62-L102 WeakPolarHBondContact OE2-CB 3.43Å; E62-L102 PolarHBondContact OE2-N 2.87Å; R63-L102 HydrophobicContact CB-CD2 4.03Å; R63-L102 HydrophobicContact CG-CD2 4.33Å; L102-E104 HydrophobicContact CD2-CG 4.28Å; L102-E104 HydrophobicContact CG-CG 4.16Å; L102-A135 HydrophobicContact CD1-CB 3.96Å; L102-W157 WeakPolarHBondContact O-CZ2 3.49Å; L102-Q161 PolarHBondContact O-NE2 3.45Å; L102-Q161 VanDerWaalsContact O-NE2 3.08Å
103W90.1Very high83.5Confident2 Ų264.8 Ų64.81%0.00836%0.364CS..EExtended strand (participates in β ladder)trans-108.2131.6170.6-179.873.7000110.7L101 L111 D116 S119 S120 I122 W157 Q161 V195 L196L101-W103 PolarHBondContact O-N 3.19Å; W103-L111 HydrophobicContact CH2-CD1 4.44Å; W103-D116 WeakPolarHBondContact CH2-O 3.38Å; W103-D116 VanDerWaalsContact CZ3-O 3.23Å; W103-D116 WeakPolarHBondContact CZ3-O 3.47Å; W103-S119 CarbonylContact O-C 3.59Å; W103-S119 WeakPolarHBondContact O-CA 3.19Å; W103-S120 WeakPolarHBondContact CA-O 3.37Å; W103-S120 WeakPolarHBondContact CB-O 3.13Å; W103-S120 PolarHBondContact N-O 3.36Å; W103-S120 PolarHBondContact O-N 3.11Å; W103-S120 VanDerWaalsContact O-O 3.08Å; W103-I122 HydrophobicContact CB-CD1 4.04Å; W103-I122 HydrophobicContact CB-CG1 4.29Å; W103-W157 HydrophobicContact CB-CH2 4.14Å; W103-W157 HydrophobicContact CB-CZ2 4.34Å; W103-W157 AromaticContact CD1-CH2 3.7Å; W103-W157 HydrophobicContact CG-CH2 4.3Å; W103-Q161 VanDerWaalsContact CA-OE1 3.31Å; W103-Q161 PolarHBondContact NE1-O 3.14Å; W103-V195 HydrophobicContact CD2-CG1 3.9Å; W103-V195 HydrophobicContact CG-CG1 3.76Å; W103-L196 HydrophobicContact CH2-CD1 3.59Å; W103-L196 HydrophobicContact CH2-CD2 3.97Å; W103-L196 HydrophobicContact CH2-CG 3.94Å; W103-L196 HydrophobicContact CZ2-CD1 3.15Å; W103-L196 HydrophobicContact CZ2-CD2 4.06Å; W103-L196 HydrophobicContact CZ2-CG 3.52Å
104E86.1Confident83.2Confident48 Ų4860.9 Ų60.922%0.22436%0.358CS..  trans-117.7144.7177.9-63.1-167.7142.800110.2R63 R65 L102R63-E104 VanDerWaalsContact CD-OE1 3.28Å; R63-E104 WeakPolarHBondContact CD-OE1 3.07Å; R63-E104 WeakPolarHBondContact CD-OE2 3.46Å; R63-E104 IonicContact CZ-OE2 2.81Å; R63-E104 IonicContact NE-OE2 3.73Å; R63-E104 PolarHBondContact NE-OE2 3.41Å; R63-E104 IonicContact NH1-OE2 3.97Å; R63-E104 PolarHBondContact NH1-OE2 2.86Å; R65-E104 IonicContact NH1-OE1 2.65Å; R65-E104 PolarHBondContact NH1-OE1 3.08Å; L102-E104 HydrophobicContact CD2-CG 4.28Å; L102-E104 HydrophobicContact CG-CG 4.16Å
105C78.3Confident82.9Confident36 Ų3659.6 Ų59.624%0.24335%0.349CS..PPolyproline II helixtrans-57.5130.6-178.6177.50000110.7L111C105-L111 VanDerWaalsContact SG-CD1 3.6Å
106P73Confident82.5Confident40 Ų4055.8 Ų55.826%0.2633%0.332SS..PPolyproline II helixtrans-61.8140.7171.526.7-35.2000110D109 L111 L196P106-D109 HydrophobicContact CG-CB 4.2Å; P106-L111 HydrophobicContact CG-CD2 4.08Å; P106-L196 HydrophobicContact CG-CD1 3.93Å
107V66.9Low81.9Confident150 Ų15057.4 Ų57.491%0.90934%0.337SS*.SBendtrans-85.9121.6178.7179.90000108.8
108G66.5Low81.6Confident77 Ų7763.4 Ų63.479%0.79436%0.363SS*.SBendtrans102.2-8.2171.900000115.5
109D72.6Confident81.4Confident101 Ų10161.5 Ų61.554%0.5436%0.356SS..  trans-89.6144.9175.7-66.3-32.9000112.1P106 L111P106-D109 HydrophobicContact CG-CB 4.2Å; D109-L111 HydrophobicContact CB-CD2 4.19Å
110I77.7Confident81.3Confident159 Ų15959.8 Ų59.882%0.81535%0.346SS*.  trans-88113.7169.6-60.3173.2000107.2Y117I110-Y117 WeakPolarHBondContact CA-OH 3.29Å
111L80Confident81.3Confident16 Ų1659.7 Ų59.78%0.08435%0.346CS..  trans-90.3149.3-178.3-56-175.7000111.1W103 C105 P106 D109 D113 D116 Y117 L196W103-L111 HydrophobicContact CH2-CD1 4.44Å; C105-L111 VanDerWaalsContact SG-CD1 3.6Å; P106-L111 HydrophobicContact CG-CD2 4.08Å; D109-L111 HydrophobicContact CB-CD2 4.19Å; L111-D113 PolarHBondContact O-N 3.42Å; L111-D116 HydrophobicContact CB-CB 4.08Å; L111-D116 VanDerWaalsContact CD1-C 3.43Å; L111-D116 HydrophobicContact CD1-CB 3.79Å; L111-D116 VanDerWaalsContact CD1-O 3.31Å; L111-D116 WeakPolarHBondContact CD1-O 3.38Å; L111-Y117 HydrophobicContact CB-CD2 4.13Å; L111-Y117 HydrophobicContact CB-CE1 4.22Å; L111-Y117 HydrophobicContact CB-CE2 3.66Å; L111-Y117 HydrophobicContact CD1-CD1 4.08Å; L111-Y117 HydrophobicContact CD1-CD2 4.42Å; L111-Y117 HydrophobicContact CD1-CE1 4.28Å; L111-Y117 HydrophobicContact CD1-CG 4.19Å; L111-Y117 HydrophobicContact CG-CD1 4.34Å; L111-Y117 HydrophobicContact CG-CE1 4.03Å; L111-Y117 HydrophobicContact CG-CE2 4.34Å; L111-Y117 PolarHBondContact N-OH 3.26Å; L111-L196 HydrophobicContact CD1-CD1 4.05Å; L111-L196 HydrophobicContact CD2-CD1 3.48Å; L111-L196 VanDerWaalsContact CD2-CD1 3.48Å; L111-L196 HydrophobicContact CG-CD1 4.4Å
112P76.4Confident81.4Confident94 Ų9459 Ų5961%0.6134%0.342SS*.SBendtrans-62.3-43.4-176.8-20.332.4000112.4
113D77.4Confident81.6Confident88 Ų8858.7 Ų58.747%0.47134%0.34SS..SBendtrans-115.4140.6-175-70.8-53000112.8L111 S115 D116L111-D113 PolarHBondContact O-N 3.42Å; D113-S115 PolarHBondContact O-N 2.61Å; D113-S115 VanDerWaalsContact O-N 3.13Å; D113-D116 WeakPolarHBondContact O-CB 3.2Å; D113-D116 PolarHBondContact O-N 3.08Å
114P78.9Confident81.9Confident105 Ų10558.6 Ų58.668%0.68234%0.34SS*.THydrogen-bonded Turntrans-56.9-28.2175.3-2735.2000114.6D116P114-D116 VanDerWaalsContact C-N 3.28Å; P114-D116 PolarHBondContact O-N 2.85Å
115S75.9Confident82.3Confident46 Ų4656.4 Ų56.432%0.32233%0.33SS..THydrogen-bonded Turntrans-69.6-25176.245.80000113.3D113 Y117 K118D113-S115 PolarHBondContact O-N 2.61Å; D113-S115 VanDerWaalsContact O-N 3.13Å; S115-Y117 PolarHBondContact O-N 2.88Å; S115-K118 WeakPolarHBondContact O-CB 3.43Å; S115-K118 PolarHBondContact O-N 2.94Å; S115-K118 VanDerWaalsContact O-N 3.13Å
116D78.1Confident83Confident10 Ų1055.2 Ų55.25%0.05332%0.323CS..THydrogen-bonded Turntrans-75.2-17.6-178.1-61.6-16.1000111.4W103 L111 D113 P114 K118 R132 L196W103-D116 WeakPolarHBondContact CH2-O 3.38Å; W103-D116 VanDerWaalsContact CZ3-O 3.23Å; W103-D116 WeakPolarHBondContact CZ3-O 3.47Å; L111-D116 HydrophobicContact CB-CB 4.08Å; L111-D116 VanDerWaalsContact CD1-C 3.43Å; L111-D116 HydrophobicContact CD1-CB 3.79Å; L111-D116 VanDerWaalsContact CD1-O 3.31Å; L111-D116 WeakPolarHBondContact CD1-O 3.38Å; D113-D116 WeakPolarHBondContact O-CB 3.2Å; D113-D116 PolarHBondContact O-N 3.08Å; P114-D116 VanDerWaalsContact C-N 3.28Å; P114-D116 PolarHBondContact O-N 2.85Å; D116-K118 PolarHBondContact O-N 3.01Å; D116-K118 VanDerWaalsContact O-N 3.16Å; D116-R132 IonicContact OD1-CZ 2.79Å; D116-R132 VanDerWaalsContact OD1-CZ 3.24Å; D116-R132 IonicContact OD1-NH1 2.84Å; D116-R132 PolarHBondContact OD1-NH1 2.92Å; D116-R132 IonicContact OD1-NH2 2.9Å; D116-R132 PolarHBondContact OD1-NH2 2.86Å; D116-L196 HydrophobicContact CB-CD2 4.04Å
117Y81.4Confident84Confident108 Ų10855.9 Ų55.942%0.42432%0.322SS..THydrogen-bonded Turntrans-69.9-6.8170-67.8-85.5000113.7I110 L111 S115I110-Y117 WeakPolarHBondContact CA-OH 3.29Å; L111-Y117 HydrophobicContact CB-CD2 4.13Å; L111-Y117 HydrophobicContact CB-CE1 4.22Å; L111-Y117 HydrophobicContact CB-CE2 3.66Å; L111-Y117 HydrophobicContact CD1-CD1 4.08Å; L111-Y117 HydrophobicContact CD1-CD2 4.42Å; L111-Y117 HydrophobicContact CD1-CE1 4.28Å; L111-Y117 HydrophobicContact CD1-CG 4.19Å; L111-Y117 HydrophobicContact CG-CD1 4.34Å; L111-Y117 HydrophobicContact CG-CE1 4.03Å; L111-Y117 HydrophobicContact CG-CE2 4.34Å; L111-Y117 PolarHBondContact N-OH 3.26Å; S115-Y117 PolarHBondContact O-N 2.88Å
118K86.8Confident85.3Confident132 Ų13248.8 Ų48.857%0.57428%0.279SS*.SBendtrans-102.1137.9179.6-60.7-177.9-177.8175.90110.9S115 D116 S120S115-K118 WeakPolarHBondContact O-CB 3.43Å; S115-K118 PolarHBondContact O-N 2.94Å; S115-K118 VanDerWaalsContact O-N 3.13Å; D116-K118 PolarHBondContact O-N 3.01Å; D116-K118 VanDerWaalsContact O-N 3.16Å; K118-S120 PolarHBondContact O-N 2.71Å; K118-S120 PolarHBondContact O-OG 3.24Å
119S89.6Confident86.8Confident18 Ų1848 Ų4813%0.12625%0.252CS..  trans-54.7133.2173.758.30000111.1R65 W103 A135R65-S119 PolarHBondContact NH2-OG 3.47Å; R65-S119 VanDerWaalsContact NH2-OG 3.12Å; W103-S119 CarbonylContact O-C 3.59Å; W103-S119 WeakPolarHBondContact O-CA 3.19Å; S119-A135 VanDerWaalsContact O-CB 3.31Å; S119-A135 WeakPolarHBondContact O-CB 3.04Å; S119-A135 PolarHBondContact O-N 3.48Å; S119-A135 VanDerWaalsContact O-N 3.08Å
120S92.1Very high87.9Confident0 Ų043.3 Ų43.30%023%0.227CC..EExtended strand (participates in β ladder)trans-130145.3-178.3-60.70000110.3W103 K118 I133W103-S120 WeakPolarHBondContact CA-O 3.37Å; W103-S120 WeakPolarHBondContact CB-O 3.13Å; W103-S120 PolarHBondContact N-O 3.36Å; W103-S120 PolarHBondContact O-N 3.11Å; W103-S120 VanDerWaalsContact O-O 3.08Å; K118-S120 PolarHBondContact O-N 2.71Å; K118-S120 PolarHBondContact O-OG 3.24Å; S120-I133 CarbonylContact C-O 3.56Å; S120-I133 WeakPolarHBondContact CA-O 3.18Å; S120-I133 WeakPolarHBondContact CB-O 3.47Å
121L94Very high88.7Confident0 Ų036.7 Ų36.70%019%0.193CC..EExtended strand (participates in β ladder)trans-92121.5169.2-173.878.2000108.6Y67 Y71 A100 A123 I133Y67-L121 HydrophobicContact CE1-CD1 4.36Å; Y67-L121 HydrophobicContact CE1-CD2 4.45Å; Y71-L121 HydrophobicContact CD1-CD1 4.01Å; Y71-L121 HydrophobicContact CD1-CD2 4.03Å; Y71-L121 HydrophobicContact CE1-CD1 4.42Å; Y71-L121 HydrophobicContact CG-CD2 4.1Å; A100-L121 HydrophobicContact CB-CD1 3.8Å; A100-L121 HydrophobicContact CB-CD2 4.01Å; A100-L121 HydrophobicContact CB-CG 3.9Å; L121-A123 HydrophobicContact CD2-CB 4.42Å; L121-I133 HydrophobicContact CB-CB 4.31Å; L121-I133 PolarHBondContact N-O 2.82Å; L121-I133 PolarHBondContact O-N 3.33Å
122I95.1Very high89.3Confident2 Ų237.3 Ų37.31%0.0120%0.195CC..EExtended strand (participates in β ladder)trans-89.4111.8171.5-58.1173.2000106.8A100 L101 W103 L130 L131 L155 W157 I164 V195 F198A100-I122 CarbonylContact C-O 3.48Å; A100-I122 WeakPolarHBondContact CA-O 3.48Å; A100-I122 WeakPolarHBondContact CB-O 3.32Å; L101-I122 PolarHBondContact N-O 2.88Å; L101-I122 PolarHBondContact O-N 2.91Å; W103-I122 HydrophobicContact CB-CD1 4.04Å; W103-I122 HydrophobicContact CB-CG1 4.29Å; I122-L130 HydrophobicContact CG2-CD1 3.69Å; I122-L130 HydrophobicContact CG2-CG 4.29Å; I122-L131 CarbonylContact C-O 3.41Å; I122-L131 WeakPolarHBondContact CA-O 3.5Å; I122-L155 HydrophobicContact CG2-CD1 4.44Å; I122-L155 WeakPolarHBondContact O-CD1 3.36Å; I122-W157 HydrophobicContact CD1-CH2 4.15Å; I122-I164 HydrophobicContact CD1-CD1 4.33Å; I122-I164 HydrophobicContact CD1-CG2 4.26Å; I122-I164 HydrophobicContact CG2-CD1 3.89Å; I122-V195 HydrophobicContact CD1-CB 4.43Å; I122-V195 HydrophobicContact CD1-CG1 3.75Å; I122-V195 HydrophobicContact CD1-CG2 3.75Å; I122-F198 HydrophobicContact CD1-CE2 4.45Å
123A95.6Very high90.2Very high0 Ų032.9 Ų32.90%017%0.166CC..EExtended strand (participates in β ladder)trans-119.4135.2-172.600000111.7I97 A100 L121 L131 I133I97-A123 HydrophobicContact CD1-CB 4.02Å; I97-A123 HydrophobicContact CG1-CB 4.21Å; I97-A123 HydrophobicContact CG2-CB 4.01Å; A100-A123 HydrophobicContact CB-CB 4.13Å; L121-A123 HydrophobicContact CD2-CB 4.42Å; A123-L131 HydrophobicContact CB-CB 4.49Å; A123-L131 PolarHBondContact N-O 3.13Å; A123-L131 PolarHBondContact O-N 3.16Å; A123-I133 HydrophobicContact CB-CD1 3.75Å
124L96.7Very high90.9Very high0 Ų029 Ų290%015%0.145CC..EExtended strand (participates in β ladder)trans-102.1125.117517865.1000109.7I97 E98 D99 L146 F152 R153 L155 V166I97-L124 CarbonylContact C-O 3.59Å; I97-L124 WeakPolarHBondContact CA-O 3.39Å; E98-L124 PolarHBondContact N-O 2.81Å; D99-L124 PolarHBondContact O-N 2.87Å; L124-L146 HydrophobicContact CD1-CD1 3.59Å; L124-F152 HydrophobicContact CD1-CB 3.93Å; L124-F152 HydrophobicContact CD2-CB 4.04Å; L124-R153 VanDerWaalsContact CD2-C 3.49Å; L124-L155 HydrophobicContact CB-CD1 3.57Å; L124-L155 HydrophobicContact CB-CD2 4.4Å; L124-L155 HydrophobicContact CB-CG 3.76Å; L124-L155 HydrophobicContact CD2-CG 4.25Å; L124-V166 HydrophobicContact CD1-CG1 3.99Å; L124-V166 HydrophobicContact CD2-CG1 3.76Å; L124-V166 HydrophobicContact CG-CG1 4.47Å
125T95.6Very high91.5Very high3 Ų324 Ų242%0.01811%0.113CC..EExtended strand (participates in β ladder)trans-96.6159.6-179.967.10000112.8K96 H127 N128 W129 L131K96-T125 CarbonylContact O-C 3.52Å; K96-T125 WeakPolarHBondContact O-CA 3.29Å; T125-H127 VanDerWaalsContact CB-CE1 3.42Å; T125-H127 WeakPolarHBondContact CB-CE1 3.41Å; T125-H127 WeakPolarHBondContact CB-ND1 3.5Å; T125-H127 PolarHBondContact O-N 3.02Å; T125-H127 PolarHBondContact OG1-CE1 2.83Å; T125-H127 PolarHBondContact OG1-ND1 3.43Å; T125-H127 VanDerWaalsContact OG1-ND1 3.13Å; T125-N128 PolarHBondContact O-N 2.77Å; T125-W129 HydrophobicContact CG2-CB 4.34Å; T125-W129 PolarHBondContact N-O 3.06Å; T125-W129 WeakPolarHBondContact OG1-CA 2.9Å; T125-W129 VanDerWaalsContact OG1-CB 3.3Å; T125-W129 WeakPolarHBondContact OG1-CB 3.46Å; T125-W129 PolarHBondContact OG1-N 3.01Å; T125-W129 PolarHBondContact OG1-O 2.71Å; T125-W129 VanDerWaalsContact OG1-O 3.12Å; T125-L131 HydrophobicContact CG2-CD1 3.45Å; T125-L131 VanDerWaalsContact CG2-CD1 3.45Å; T125-L131 HydrophobicContact CG2-CG 3.89Å
126A93.4Very high92.3Very high10 Ų1024.8 Ų24.88%0.08312%0.116CC..THydrogen-bonded Turntrans-66.3-13.2-176.900000115.6S94 K96 E98 R153S94-A126 WeakPolarHBondContact O-CB 3.44Å; K96-A126 HydrophobicContact CG-CB 3.75Å; K96-A126 PolarHBondContact O-N 2.87Å; E98-A126 HydrophobicContact CG-CB 3.85Å; E98-A126 WeakPolarHBondContact OE1-CB 3.5Å; A126-R153 VanDerWaalsContact CB-NH1 3.26Å; A126-R153 PolarHBondContact O-NH1 3.43Å; A126-R153 PolarHBondContact O-NH2 3.34Å
127H92.9Very high92.9Very high55 Ų5528.1 Ų28.126%0.25514%0.137SC..THydrogen-bonded Turntrans-108.824.9177.158.6-54.5000111.6S94 E95 T125 W129 Y145S94-H127 WeakPolarHBondContact O-CB 3.46Å; S94-H127 PolarHBondContact O-N 2.87Å; S94-H127 PolarHBondContact O-ND1 2.92Å; E95-H127 VanDerWaalsContact CA-CE1 3.48Å; E95-H127 WeakPolarHBondContact CA-CE1 2.93Å; E95-H127 WeakPolarHBondContact CA-ND1 3.45Å; T125-H127 VanDerWaalsContact CB-CE1 3.42Å; T125-H127 WeakPolarHBondContact CB-CE1 3.41Å; T125-H127 WeakPolarHBondContact CB-ND1 3.5Å; T125-H127 PolarHBondContact O-N 3.02Å; T125-H127 PolarHBondContact OG1-CE1 2.83Å; T125-H127 PolarHBondContact OG1-ND1 3.43Å; T125-H127 VanDerWaalsContact OG1-ND1 3.13Å; H127-W129 AromaticContact CD2-CD1 3.08Å; H127-W129 AromaticContact CD2-NE1 3.35Å; H127-W129 PolarHBondContact CD2-NE1 2.83Å; H127-W129 VanDerWaalsContact CD2-NE1 3.35Å; H127-W129 AromaticContact CE1-CD1 3.89Å; H127-W129 AromaticContact CG-CD1 3.76Å; H127-W129 AromaticContact NE2-CD1 3.18Å; H127-W129 AromaticContact NE2-NE1 3.64Å; H127-Y145 WeakPolarHBondContact O-CE2 3.5Å
128N95.6Very high93.5Very high0 Ų023.5 Ų23.50%012%0.122CC..SBendtrans65.932.7171-55.1-29.5000115.2T125 Y145 L146 A147 C150 K151 F152T125-N128 PolarHBondContact O-N 2.77Å; N128-Y145 HydrophobicContact CB-CE2 4.4Å; N128-L146 HydrophobicContact CB-CB 4.34Å; N128-L146 WeakPolarHBondContact O-CB 3.42Å; N128-L146 PolarHBondContact O-N 3.3Å; N128-A147 WeakPolarHBondContact CB-O 3.28Å; N128-A147 PolarHBondContact ND2-O 3.36Å; N128-C150 PolarHBondContact ND2-O 2.86Å; N128-K151 WeakPolarHBondContact OD1-CA 3.41Å; N128-F152 HydrophobicContact CB-CD2 4.4Å; N128-F152 PolarHBondContact OD1-N 3.23Å
129W96.1Very high93.8Very high61 Ų6123.1 Ų23.123%0.23112%0.122CC..EExtended strand (participates in β ladder)trans-95.3133.4164.7-66.378.3000110.6T125 H127 L131 K143 I144 Y145 A268T125-W129 HydrophobicContact CG2-CB 4.34Å; T125-W129 PolarHBondContact N-O 3.06Å; T125-W129 WeakPolarHBondContact OG1-CA 2.9Å; T125-W129 VanDerWaalsContact OG1-CB 3.3Å; T125-W129 WeakPolarHBondContact OG1-CB 3.46Å; T125-W129 PolarHBondContact OG1-N 3.01Å; T125-W129 PolarHBondContact OG1-O 2.71Å; T125-W129 VanDerWaalsContact OG1-O 3.12Å; H127-W129 AromaticContact CD2-CD1 3.08Å; H127-W129 AromaticContact CD2-NE1 3.35Å; H127-W129 PolarHBondContact CD2-NE1 2.83Å; H127-W129 VanDerWaalsContact CD2-NE1 3.35Å; H127-W129 AromaticContact CE1-CD1 3.89Å; H127-W129 AromaticContact CG-CD1 3.76Å; H127-W129 AromaticContact NE2-CD1 3.18Å; H127-W129 AromaticContact NE2-NE1 3.64Å; W129-L131 HydrophobicContact CB-CD2 3.81Å; W129-L131 HydrophobicContact CB-CG 4.38Å; W129-K143 HydrophobicContact CE3-CB 3.76Å; W129-K143 HydrophobicContact CZ3-CB 3.82Å; W129-I144 WeakPolarHBondContact CA-O 3.34Å; W129-Y145 AromaticContact CD1-CD2 3.95Å; W129-Y145 AromaticContact CD2-CD2 4Å; W129-Y145 HydrophobicContact CD2-CD2 4Å; W129-Y145 AromaticContact CE2-CD2 3.63Å; W129-Y145 HydrophobicContact CG-CD2 4.25Å; W129-Y145 HydrophobicContact CZ2-CD2 4.05Å; W129-Y145 HydrophobicContact CZ2-CG 4.29Å; W129-Y145 AromaticContact NE1-CD2 3.59Å; W129-A268 HydrophobicContact CH2-CB 3.87Å; W129-A268 HydrophobicContact CZ2-CB 3.6Å
130L96.3Very high94Very high3 Ų324.5 Ų24.52%0.01613%0.129CC..EExtended strand (participates in β ladder)trans-95.1119.3165-167.157.3000107.5I122 I144 L146 L155 I164 V166 F193 F198I122-L130 HydrophobicContact CG2-CD1 3.69Å; I122-L130 HydrophobicContact CG2-CG 4.29Å; L130-I144 HydrophobicContact CB-CB 4.44Å; L130-I144 PolarHBondContact N-O 2.85Å; L130-I144 PolarHBondContact O-N 2.88Å; L130-L146 HydrophobicContact CB-CD1 4.42Å; L130-L146 HydrophobicContact CB-CD2 4.13Å; L130-L146 HydrophobicContact CB-CG 4.27Å; L130-L146 HydrophobicContact CD2-CD2 4.22Å; L130-L155 HydrophobicContact CD1-CD1 4.27Å; L130-L155 HydrophobicContact CD1-CD2 3.92Å; L130-I164 HydrophobicContact CD2-CD1 4.12Å; L130-V166 HydrophobicContact CD2-CG2 4.09Å; L130-F193 HydrophobicContact CD2-CD2 4.07Å; L130-F193 HydrophobicContact CD2-CE2 3.96Å; L130-F193 HydrophobicContact CD2-CZ 4.31Å; L130-F198 HydrophobicContact CD2-CE1 3.94Å; L130-F198 HydrophobicContact CD2-CZ 3.52Å; L130-F198 HydrophobicContact CG-CZ 4.12Å
131L94.8Very high93.9Very high19 Ų1927.7 Ų27.710%0.09915%0.146CC..EExtended strand (participates in β ladder)trans-113.2137.2-174.9-51.8-179.9000109.2I122 A123 T125 W129 I133 V140 E142 K143I122-L131 CarbonylContact C-O 3.41Å; I122-L131 WeakPolarHBondContact CA-O 3.5Å; A123-L131 HydrophobicContact CB-CB 4.49Å; A123-L131 PolarHBondContact N-O 3.13Å; A123-L131 PolarHBondContact O-N 3.16Å; T125-L131 HydrophobicContact CG2-CD1 3.45Å; T125-L131 VanDerWaalsContact CG2-CD1 3.45Å; T125-L131 HydrophobicContact CG2-CG 3.89Å; W129-L131 HydrophobicContact CB-CD2 3.81Å; W129-L131 HydrophobicContact CB-CG 4.38Å; L131-I133 HydrophobicContact CB-CD1 4.19Å; L131-I133 HydrophobicContact CB-CG1 3.91Å; L131-I133 HydrophobicContact CD1-CD1 4.23Å; L131-V140 HydrophobicContact CB-CG1 4.29Å; L131-V140 HydrophobicContact CD2-CG1 4.24Å; L131-E142 WeakPolarHBondContact CA-O 3.42Å; L131-K143 HydrophobicContact CD2-CB 4.04Å; L131-K143 HydrophobicContact CD2-CD 3.95Å; L131-K143 HydrophobicContact CD2-CG 3.63Å
132R93.3Very high93.8Very high30 Ų3030.6 Ų30.611%0.11316%0.16CC..EExtended strand (participates in β ladder)trans-98.3115.1161.6-168.2167.767.8114.3-17.6108D116 L141 E142D116-R132 IonicContact OD1-CZ 2.79Å; D116-R132 VanDerWaalsContact OD1-CZ 3.24Å; D116-R132 IonicContact OD1-NH1 2.84Å; D116-R132 PolarHBondContact OD1-NH1 2.92Å; D116-R132 IonicContact OD1-NH2 2.9Å; D116-R132 PolarHBondContact OD1-NH2 2.86Å; R132-L141 WeakPolarHBondContact O-CB 3.46Å; R132-L141 PolarHBondContact O-N 3.36Å; R132-E142 HydrophobicContact CB-CB 3.8Å; R132-E142 PolarHBondContact N-O 2.78Å; R132-E142 IonicContact NE-OE2 2.93Å; R132-E142 PolarHBondContact NE-OE2 2.81Å; R132-E142 IonicContact NH2-OE2 3.24Å; R132-E142 PolarHBondContact O-N 2.9Å
133I93.8Very high93.7Very high0 Ų036.5 Ų36.50%019%0.185CC..EExtended strand (participates in β ladder)trans-114.3134.4-175.2-53.9176.5000108.2M88 I97 S120 L121 A123 L131 A135 E139 V140M88-I133 HydrophobicContact CE-CD1 4Å; M88-I133 HydrophobicContact SD-CD1 4.26Å; I97-I133 HydrophobicContact CD1-CD1 4.19Å; S120-I133 CarbonylContact C-O 3.56Å; S120-I133 WeakPolarHBondContact CA-O 3.18Å; S120-I133 WeakPolarHBondContact CB-O 3.47Å; L121-I133 HydrophobicContact CB-CB 4.31Å; L121-I133 PolarHBondContact N-O 2.82Å; L121-I133 PolarHBondContact O-N 3.33Å; A123-I133 HydrophobicContact CB-CD1 3.75Å; L131-I133 HydrophobicContact CB-CD1 4.19Å; L131-I133 HydrophobicContact CB-CG1 3.91Å; L131-I133 HydrophobicContact CD1-CD1 4.23Å; I133-A135 PolarHBondContact O-N 3.25Å; I133-E139 CarbonylContact C-O 3.57Å; I133-E139 WeakPolarHBondContact CA-O 3.42Å; I133-V140 HydrophobicContact CG1-CG2 4.34Å
134S92.9Very high93.7Very high7 Ų737 Ų375%0.04919%0.188CC..EExtended strand (participates in β ladder)trans-60.3121.1172.2163.20000110.3T136 T137 G138 E139S134-T136 PolarHBondContact O-N 2.7Å; S134-T136 VanDerWaalsContact O-N 3.14Å; S134-T136 PolarHBondContact OG-N 3.06Å; S134-T136 PolarHBondContact OG-OG1 3.48Å; S134-T137 WeakPolarHBondContact CB-OG1 3.15Å; S134-T137 PolarHBondContact O-N 2.83Å; S134-T137 PolarHBondContact OG-N 3.49Å; S134-T137 VanDerWaalsContact OG-N 3.12Å; S134-T137 PolarHBondContact OG-OG1 2.83Å; S134-G138 WeakPolarHBondContact O-CA 3.33Å; S134-G138 PolarHBondContact O-N 3.11Å; S134-E139 PolarHBondContact N-O 2.8Å
135A92.2Very high93.7Very high0 Ų038.5 Ų38.50%019%0.194CC..THydrogen-bonded Turntrans-69.9-10.7-178.300000113.1L102 S119 I133L102-A135 HydrophobicContact CD1-CB 3.96Å; S119-A135 VanDerWaalsContact O-CB 3.31Å; S119-A135 WeakPolarHBondContact O-CB 3.04Å; S119-A135 PolarHBondContact O-N 3.48Å; S119-A135 VanDerWaalsContact O-N 3.08Å; I133-A135 PolarHBondContact O-N 3.25Å
136T91.5Very high93.7Very high63 Ų6338.3 Ų38.339%0.38719%0.193SC..THydrogen-bonded Turntrans-99.2-39.3177.754.10000113S134S134-T136 PolarHBondContact O-N 2.7Å; S134-T136 VanDerWaalsContact O-N 3.14Å; S134-T136 PolarHBondContact OG-N 3.06Å; S134-T136 PolarHBondContact OG-OG1 3.48Å
137T92.3Very high93.7Very high80 Ų8037.9 Ų37.949%0.49119%0.189SC..THydrogen-bonded Turntrans-106.7-17.3-173.159.20000113.8Y86 S134 E139Y86-T137 VanDerWaalsContact CB-C 3.45Å; Y86-T137 VanDerWaalsContact CB-O 3.31Å; Y86-T137 WeakPolarHBondContact CB-O 3.43Å; S134-T137 WeakPolarHBondContact CB-OG1 3.15Å; S134-T137 PolarHBondContact O-N 2.83Å; S134-T137 PolarHBondContact OG-N 3.49Å; S134-T137 VanDerWaalsContact OG-N 3.12Å; S134-T137 PolarHBondContact OG-OG1 2.83Å; T137-E139 PolarHBondContact O-N 2.96Å; T137-E139 WeakPolarHBondContact OG1-CB 3.46Å; T137-E139 PolarHBondContact OG1-N 2.78Å
138G93.1Very high93.5Very high10 Ų1039.1 Ų39.110%0.10320%0.204CC..  trans71.79.3-172.700000113.7S134S134-G138 WeakPolarHBondContact O-CA 3.33Å; S134-G138 PolarHBondContact O-N 3.11Å
139E93.8Very high93.2Very high125 Ų12543.6 Ų43.658%0.58422%0.221SC*.  trans-74.8137.9176.7-175.4176.4-17200110.7I133 S134 T137 L141I133-E139 CarbonylContact C-O 3.57Å; I133-E139 WeakPolarHBondContact CA-O 3.42Å; S134-E139 PolarHBondContact N-O 2.8Å; T137-E139 PolarHBondContact O-N 2.96Å; T137-E139 WeakPolarHBondContact OG1-CB 3.46Å; T137-E139 PolarHBondContact OG1-N 2.78Å; E139-L141 PolarHBondContact O-N 2.72Å
140V93.1Very high93Very high46 Ų4641.5 Ų41.528%0.27922%0.216SC..EExtended strand (participates in β ladder)trans-82.4111.7176.4-172.20000109.2M88 L131 I133 E142 K143M88-V140 HydrophobicContact CE-CG2 4.24Å; L131-V140 HydrophobicContact CB-CG1 4.29Å; L131-V140 HydrophobicContact CD2-CG1 4.24Å; I133-V140 HydrophobicContact CG1-CG2 4.34Å; V140-E142 WeakPolarHBondContact CG1-O 3.45Å; V140-K143 HydrophobicContact CG1-CD 4.1Å; V140-K143 VanDerWaalsContact CG1-CE 3.41Å; V140-K143 HydrophobicContact CG1-CG 3.55Å
141L90.8Very high92.8Very high67 Ų6746.1 Ų46.135%0.35124%0.236SC..EExtended strand (participates in β ladder)trans-82.4-37.4-178.9-55.6178.3000111.7R132 E139R132-L141 WeakPolarHBondContact O-CB 3.46Å; R132-L141 PolarHBondContact O-N 3.36Å; E139-L141 PolarHBondContact O-N 2.72Å
142E90.8Very high92.8Very high61 Ų6145.2 Ų45.229%0.28523%0.231SC..EExtended strand (participates in β ladder)trans-148.9149.6-175.2-165.7176.8179.900111L131 R132 V140L131-E142 WeakPolarHBondContact CA-O 3.42Å; R132-E142 HydrophobicContact CB-CB 3.8Å; R132-E142 PolarHBondContact N-O 2.78Å; R132-E142 IonicContact NE-OE2 2.93Å; R132-E142 PolarHBondContact NE-OE2 2.81Å; R132-E142 IonicContact NH2-OE2 3.24Å; R132-E142 PolarHBondContact O-N 2.9Å; V140-E142 WeakPolarHBondContact CG1-O 3.45Å
143K93.6Very high92.9Very high126 Ų12646.5 Ų46.555%0.54824%0.236SC..EExtended strand (participates in β ladder)trans-139.6127.7-180-56.1-166.9177.2170.20110.9W129 L131 V140W129-K143 HydrophobicContact CE3-CB 3.76Å; W129-K143 HydrophobicContact CZ3-CB 3.82Å; L131-K143 HydrophobicContact CD2-CB 4.04Å; L131-K143 HydrophobicContact CD2-CD 3.95Å; L131-K143 HydrophobicContact CD2-CG 3.63Å; V140-K143 HydrophobicContact CG1-CD 4.1Å; V140-K143 VanDerWaalsContact CG1-CE 3.41Å; V140-K143 HydrophobicContact CG1-CG 3.55Å
144I95.5Very high92.9Very high10 Ų1052.2 Ų52.25%0.05126%0.258CS..EExtended strand (participates in β ladder)trans-126.1123.2176.2-64.1159.2000108.7W129 L130 F198 L252 I272W129-I144 WeakPolarHBondContact CA-O 3.34Å; L130-I144 HydrophobicContact CB-CB 4.44Å; L130-I144 PolarHBondContact N-O 2.85Å; L130-I144 PolarHBondContact O-N 2.88Å; I144-F198 HydrophobicContact CD1-CD1 3.19Å; I144-F198 HydrophobicContact CD1-CE1 3.18Å; I144-F198 HydrophobicContact CD1-CG 4.28Å; I144-F198 HydrophobicContact CD1-CZ 4.25Å; I144-L252 HydrophobicContact CD1-CD1 3.73Å; I144-L252 HydrophobicContact CG2-CD2 4.06Å; I144-I272 HydrophobicContact CG2-CD1 3.93Å
145Y96.3Very high93Very high32 Ų3252.4 Ų52.413%0.12526%0.259CS..EExtended strand (participates in β ladder)trans-83.3117.3173.7-174.2-118.6000109.9H127 N128 W129 A147 S148 G266 A268 G271H127-Y145 WeakPolarHBondContact O-CE2 3.5Å; N128-Y145 HydrophobicContact CB-CE2 4.4Å; W129-Y145 AromaticContact CD1-CD2 3.95Å; W129-Y145 AromaticContact CD2-CD2 4Å; W129-Y145 HydrophobicContact CD2-CD2 4Å; W129-Y145 AromaticContact CE2-CD2 3.63Å; W129-Y145 HydrophobicContact CG-CD2 4.25Å; W129-Y145 HydrophobicContact CZ2-CD2 4.05Å; W129-Y145 HydrophobicContact CZ2-CG 4.29Å; W129-Y145 AromaticContact NE1-CD2 3.59Å; Y145-A147 PolarHBondContact OH-O 2.82Å; Y145-S148 WeakPolarHBondContact OH-CB 3.44Å; Y145-G266 WeakPolarHBondContact CB-O 3.35Å; Y145-G266 PolarHBondContact N-O 2.84Å; Y145-G266 WeakPolarHBondContact O-CA 3.46Å; Y145-A268 HydrophobicContact CD1-CB 3.85Å; Y145-A268 HydrophobicContact CD2-CB 4.35Å; Y145-A268 HydrophobicContact CE1-CB 4.35Å; Y145-A268 HydrophobicContact CG-CB 3.86Å; Y145-G271 VanDerWaalsContact O-CA 3.29Å; Y145-G271 WeakPolarHBondContact O-CA 3.48Å
146L95.7Very high93.1Very high0 Ų054.2 Ų54.20%027%0.272CS..  trans-76.2-58.5-172.8-63.4174.4000112.1L124 N128 L130 F152 V166 F193 I272L124-L146 HydrophobicContact CD1-CD1 3.59Å; N128-L146 HydrophobicContact CB-CB 4.34Å; N128-L146 WeakPolarHBondContact O-CB 3.42Å; N128-L146 PolarHBondContact O-N 3.3Å; L130-L146 HydrophobicContact CB-CD1 4.42Å; L130-L146 HydrophobicContact CB-CD2 4.13Å; L130-L146 HydrophobicContact CB-CG 4.27Å; L130-L146 HydrophobicContact CD2-CD2 4.22Å; L146-F152 HydrophobicContact CB-CD2 3.68Å; L146-F152 HydrophobicContact CB-CE2 3.73Å; L146-F152 HydrophobicContact CD1-CB 3.85Å; L146-F152 HydrophobicContact CD1-CD1 4.43Å; L146-F152 HydrophobicContact CD1-CD2 3.7Å; L146-F152 HydrophobicContact CD1-CE2 4.34Å; L146-F152 HydrophobicContact CD1-CG 3.74Å; L146-F152 HydrophobicContact CG-CD2 4.36Å; L146-V166 HydrophobicContact CD1-CG1 3.82Å; L146-F193 HydrophobicContact CD2-CE2 3.9Å; L146-F193 HydrophobicContact CD2-CZ 3.6Å; L146-I272 HydrophobicContact CD2-CD1 4.21Å; L146-I272 WeakPolarHBondContact O-CA 3.35Å; L146-I272 WeakPolarHBondContact O-CB 3.42Å; L146-I272 PolarHBondContact O-N 3.06Å
147A92.6Very high93.1Very high0 Ų053.8 Ų53.80%026%0.263CS..  trans-173.8163.7-179.700000111.8N128 Y145 Y149 F152N128-A147 WeakPolarHBondContact CB-O 3.28Å; N128-A147 PolarHBondContact ND2-O 3.36Å; Y145-A147 PolarHBondContact OH-O 2.82Å; A147-Y149 HydrophobicContact CB-CD1 3.6Å; A147-Y149 HydrophobicContact CB-CD2 4.34Å; A147-Y149 HydrophobicContact CB-CE1 3.28Å; A147-Y149 HydrophobicContact CB-CE2 4.06Å; A147-Y149 HydrophobicContact CB-CG 4.12Å; A147-F152 HydrophobicContact CB-CE2 3.98Å
148S90.5Very high93.2Very high82 Ų8250.4 Ų50.457%0.57324%0.242SC*.SBendtrans-99.5-20.7167.960.40000113.8Y145 C150Y145-S148 WeakPolarHBondContact OH-CB 3.44Å; S148-C150 PolarHBondContact O-N 3.37Å
149Y88.9Confident93Very high93 Ų9351.7 Ų51.737%0.36525%0.248SC..SBendtrans-77.4-15.3-170.558.2-106.3000115.2A147 Y189 I272A147-Y149 HydrophobicContact CB-CD1 3.6Å; A147-Y149 HydrophobicContact CB-CD2 4.34Å; A147-Y149 HydrophobicContact CB-CE1 3.28Å; A147-Y149 HydrophobicContact CB-CE2 4.06Å; A147-Y149 HydrophobicContact CB-CG 4.12Å; Y149-Y189 HydrophobicContact CD2-CE1 4.22Å; Y149-Y189 HydrophobicContact CD2-CE2 4.02Å; Y149-Y189 AromaticContact CD2-CZ 3.83Å; Y149-Y189 AromaticContact CE2-CD1 3.84Å; Y149-Y189 HydrophobicContact CE2-CD1 3.84Å; Y149-Y189 HydrophobicContact CE2-CD2 4.19Å; Y149-Y189 AromaticContact CE2-CE1 3.64Å; Y149-Y189 HydrophobicContact CE2-CE1 3.64Å; Y149-Y189 HydrophobicContact CE2-CE2 4.02Å; Y149-Y189 HydrophobicContact CE2-CG 4.1Å; Y149-Y189 AromaticContact CE2-CZ 3.73Å; Y149-I272 PolarHBondContact OH-O 2.92Å
150C91Very high92.7Very high17 Ų1749.3 Ų49.312%0.11524%0.243CC..SBendtrans-144174174.868.60000110.5N128 S148 F152 Y189N128-C150 PolarHBondContact ND2-O 2.86Å; S148-C150 PolarHBondContact O-N 3.37Å; C150-F152 WeakPolarHBondContact SG-CE2 3.4Å; C150-F152 VanDerWaalsContact SG-CZ 3.54Å; C150-Y189 HydrophobicContact CB-CD2 3.65Å; C150-Y189 HydrophobicContact CB-CE2 3.81Å
151K92.9Very high92.5Very high101 Ų10149.6 Ų49.644%0.43924%0.242SC..  trans-111.4110.5176-65.3-58.3-175.6-174.10109.6N128 S168 A169N128-K151 WeakPolarHBondContact OD1-CA 3.41Å; K151-S168 CarbonylContact O-C 3.55Å; K151-S168 VanDerWaalsContact O-CA 3.3Å; K151-S168 WeakPolarHBondContact O-CA 3.38Å; K151-S168 WeakPolarHBondContact O-CB 3.22Å; K151-A169 PolarHBondContact O-N 2.86Å
152F95.1Very high92.4Very high0 Ų052.3 Ų52.30%025%0.252CS..EExtended strand (participates in β ladder)trans-76.9132.3171.6-68.6-78.4000109.2L124 N128 L146 A147 C150 V166 A191L124-F152 HydrophobicContact CD1-CB 3.93Å; L124-F152 HydrophobicContact CD2-CB 4.04Å; N128-F152 HydrophobicContact CB-CD2 4.4Å; N128-F152 PolarHBondContact OD1-N 3.23Å; L146-F152 HydrophobicContact CB-CD2 3.68Å; L146-F152 HydrophobicContact CB-CE2 3.73Å; L146-F152 HydrophobicContact CD1-CB 3.85Å; L146-F152 HydrophobicContact CD1-CD1 4.43Å; L146-F152 HydrophobicContact CD1-CD2 3.7Å; L146-F152 HydrophobicContact CD1-CE2 4.34Å; L146-F152 HydrophobicContact CD1-CG 3.74Å; L146-F152 HydrophobicContact CG-CD2 4.36Å; A147-F152 HydrophobicContact CB-CE2 3.98Å; C150-F152 WeakPolarHBondContact SG-CE2 3.4Å; C150-F152 VanDerWaalsContact SG-CZ 3.54Å; F152-V166 HydrophobicContact CB-CG1 3.95Å; F152-V166 HydrophobicContact CD1-CB 4.31Å; F152-V166 HydrophobicContact CD1-CG1 3.84Å; F152-V166 HydrophobicContact CG-CG1 4.13Å; F152-A191 HydrophobicContact CE1-CB 4.15Å; F152-A191 HydrophobicContact CZ-CB 4.35Å
153R94.4Very high92.6Very high56 Ų5650 Ų5021%0.21124%0.242CC..EExtended strand (participates in β ladder)trans-135.9-20.9-173.8-63.9-62.4179.4-158.4-13.6115E98 L124 A126 K167 A169E98-R153 IonicContact OE1-CZ 3.14Å; E98-R153 IonicContact OE1-NH1 3.28Å; E98-R153 PolarHBondContact OE1-NH1 2.98Å; L124-R153 VanDerWaalsContact CD2-C 3.49Å; A126-R153 VanDerWaalsContact CB-NH1 3.26Å; A126-R153 PolarHBondContact O-NH1 3.43Å; A126-R153 PolarHBondContact O-NH2 3.34Å; R153-K167 PolarHBondContact N-O 2.91Å; R153-A169 HydrophobicContact CG-CB 3.96Å
154Y94.8Very high92.7Very high120 Ų12044 Ų4447%0.47122%0.216SC..EExtended strand (participates in β ladder)trans-126.6141.3-173.8-45-77.1000110.9D99 V166 K167D99-Y154 WeakPolarHBondContact OD2-CA 3.5Å; Y154-V166 WeakPolarHBondContact O-CA 3.48Å; Y154-K167 HydrophobicContact CD2-CB 4.35Å; Y154-K167 HydrophobicContact CD2-CG 4.29Å; Y154-K167 PolarHBondContact N-O 3.08Å; Y154-K167 PolarHBondContact O-N 3.12Å
155L94.6Very high92.8Very high11 Ų1143.5 Ų43.56%0.05821%0.214CC..EExtended strand (participates in β ladder)trans-117.6137.1172.9-77.5174.4000109.5D99 L101 I122 L124 L130 V166D99-L155 HydrophobicContact CB-CB 4.19Å; D99-L155 HydrophobicContact CB-CG 4.4Å; D99-L155 PolarHBondContact OD2-N 2.71Å; L101-L155 HydrophobicContact CD1-CB 3.99Å; L101-L155 HydrophobicContact CG-CB 4.02Å; I122-L155 HydrophobicContact CG2-CD1 4.44Å; I122-L155 WeakPolarHBondContact O-CD1 3.36Å; L124-L155 HydrophobicContact CB-CD1 3.57Å; L124-L155 HydrophobicContact CB-CD2 4.4Å; L124-L155 HydrophobicContact CB-CG 3.76Å; L124-L155 HydrophobicContact CD2-CG 4.25Å; L130-L155 HydrophobicContact CD1-CD1 4.27Å; L130-L155 HydrophobicContact CD1-CD2 3.92Å; L155-V166 HydrophobicContact CD2-CB 4.18Å; L155-V166 HydrophobicContact CD2-CG1 3.96Å; L155-V166 HydrophobicContact CD2-CG2 3.68Å
156S93.5Very high92.8Very high39 Ų3942 Ų4227%0.27321%0.208SC..EExtended strand (participates in β ladder)trans-145.4151.4172.660.40000111.2I164 A165S156-I164 WeakPolarHBondContact O-CA 3.36Å; S156-A165 PolarHBondContact N-O 3.43Å; S156-A165 PolarHBondContact O-N 2.96Å
157W92.6Very high92.9Very high54 Ų5443.4 Ų43.421%0.20521%0.214CC..EExtended strand (participates in β ladder)trans-73.2124.5166.1-68.4110.6000109.3L101 L102 W103 I122 Q161 I164 V195L101-W157 HydrophobicContact CB-CZ2 3.88Å; L101-W157 HydrophobicContact CD1-CD2 4.07Å; L101-W157 HydrophobicContact CD1-CG 4.19Å; L101-W157 HydrophobicContact CD1-CZ2 4.31Å; L102-W157 WeakPolarHBondContact O-CZ2 3.49Å; W103-W157 HydrophobicContact CB-CH2 4.14Å; W103-W157 HydrophobicContact CB-CZ2 4.34Å; W103-W157 AromaticContact CD1-CH2 3.7Å; W103-W157 HydrophobicContact CG-CH2 4.3Å; I122-W157 HydrophobicContact CD1-CH2 4.15Å; W157-Q161 VanDerWaalsContact CZ3-CA 3.43Å; W157-I164 HydrophobicContact CD2-CG2 4.24Å; W157-I164 HydrophobicContact CE3-CG2 3.55Å; W157-I164 HydrophobicContact CH2-CG2 3.78Å; W157-I164 HydrophobicContact CZ2-CG2 4.46Å; W157-I164 HydrophobicContact CZ3-CG2 3.3Å; W157-V195 HydrophobicContact CH2-CG2 4Å; W157-V195 HydrophobicContact CZ3-CG2 3.71Å
158D92.7Very high93Very high9 Ų943.5 Ų43.55%0.04822%0.215CC..EExtended strand (participates in β ladder)trans-78.8-54.216317053.3000109.1V163 L219 S220 H221 G222D158-V163 HydrophobicContact CB-CB 4.18Å; D158-V163 HydrophobicContact CB-CG1 3.94Å; D158-V163 PolarHBondContact N-O 3.37Å; D158-L219 HydrophobicContact CB-CD2 3.96Å; D158-L219 HydrophobicContact CB-CG 4.24Å; D158-L219 WeakPolarHBondContact OD1-CG 3.38Å; D158-S220 WeakPolarHBondContact OD1-CA 3.44Å; D158-S220 PolarHBondContact OD1-N 3.24Å; D158-H221 PolarHBondContact O-N 2.84Å; D158-H221 PolarHBondContact OD1-N 3.41Å; D158-G222 PolarHBondContact OD1-N 3.24Å; D158-G222 PolarHBondContact OD2-N 2.93Å
159T90.1Very high93.1Very high36 Ų3641.3 Ų41.322%0.22120%0.202CC..EExtended strand (participates in β ladder)trans-118.7119.2168.4-57.20000107.4Q161 E162 V163T159-Q161 PolarHBondContact O-N 3.22Å; T159-E162 HydrophobicContact CG2-CB 4.05Å; T159-E162 HydrophobicContact CG2-CG 4.31Å; T159-E162 PolarHBondContact O-N 2.8Å; T159-E162 VanDerWaalsContact O-N 3.1Å; T159-V163 PolarHBondContact N-O 3.08Å; T159-V163 PolarHBondContact O-N 3.46Å
160P87.5Confident93Very high76 Ų7640.5 Ų40.549%0.49420%0.201SC..THydrogen-bonded Turntrans-50.8131-175.5-28.235000112.5E162P160-E162 PolarHBondContact O-N 2.93Å; P160-E162 VanDerWaalsContact O-N 3.07Å
161Q88Confident92.7Very high52 Ų5243 Ų4324%0.24321%0.213CC..THydrogen-bonded Turntrans66.3-4.1178.9-53-61.4-49.200116.5L102 W103 W157 T159L102-Q161 PolarHBondContact O-NE2 3.45Å; L102-Q161 VanDerWaalsContact O-NE2 3.08Å; W103-Q161 VanDerWaalsContact CA-OE1 3.31Å; W103-Q161 PolarHBondContact NE1-O 3.14Å; W157-Q161 VanDerWaalsContact CZ3-CA 3.43Å; T159-Q161 PolarHBondContact O-N 3.22Å
162E89.9Confident91.8Very high123 Ų12343.9 Ų43.958%0.57522%0.217SC*.THydrogen-bonded Turntrans-116.8-48.8-175.8-65.5-177.7-169.100113.5T159 P160 R194 V195T159-E162 HydrophobicContact CG2-CB 4.05Å; T159-E162 HydrophobicContact CG2-CG 4.31Å; T159-E162 PolarHBondContact O-N 2.8Å; T159-E162 VanDerWaalsContact O-N 3.1Å; P160-E162 PolarHBondContact O-N 2.93Å; P160-E162 VanDerWaalsContact O-N 3.07Å; E162-R194 WeakPolarHBondContact O-CA 3.4Å; E162-V195 PolarHBondContact O-N 2.78Å
163V94.3Very high90.5Very high12 Ų1244.7 Ų44.77%0.07323%0.226CC..EExtended strand (participates in β ladder)trans-131.2127.8-171.9-175.60000110D158 T159 V192 F193 R194D158-V163 HydrophobicContact CB-CB 4.18Å; D158-V163 HydrophobicContact CB-CG1 3.94Å; D158-V163 PolarHBondContact N-O 3.37Å; T159-V163 PolarHBondContact N-O 3.08Å; T159-V163 PolarHBondContact O-N 3.46Å; V163-V192 HydrophobicContact CG1-CG1 3.64Å; V163-F193 CarbonylContact C-O 3.51Å; V163-F193 WeakPolarHBondContact CA-O 3.13Å; V163-F193 WeakPolarHBondContact CG1-O 3.2Å; V163-R194 HydrophobicContact CG2-CG 4.41Å
164I96.1Very high89.2Confident0 Ų045.5 Ų45.50%024%0.24CC..EExtended strand (participates in β ladder)trans-109.5147.1176.561.2174.7000111L101 I122 L130 S156 W157 V192 F193 V195 F198L101-I164 HydrophobicContact CD1-CG2 3.98Å; I122-I164 HydrophobicContact CD1-CD1 4.33Å; I122-I164 HydrophobicContact CD1-CG2 4.26Å; I122-I164 HydrophobicContact CG2-CD1 3.89Å; L130-I164 HydrophobicContact CD2-CD1 4.12Å; S156-I164 WeakPolarHBondContact O-CA 3.36Å; W157-I164 HydrophobicContact CD2-CG2 4.24Å; W157-I164 HydrophobicContact CE3-CG2 3.55Å; W157-I164 HydrophobicContact CH2-CG2 3.78Å; W157-I164 HydrophobicContact CZ2-CG2 4.46Å; W157-I164 HydrophobicContact CZ3-CG2 3.3Å; I164-V192 WeakPolarHBondContact O-CA 3.25Å; I164-F193 HydrophobicContact CD1-CB 4.13Å; I164-F193 HydrophobicContact CD1-CD2 4.45Å; I164-F193 HydrophobicContact CG1-CB 3.76Å; I164-F193 HydrophobicContact CG1-CD2 4.38Å; I164-F193 PolarHBondContact N-O 2.94Å; I164-F193 PolarHBondContact O-N 3.37Å; I164-V195 HydrophobicContact CG1-CG2 4.36Å; I164-V195 HydrophobicContact CG2-CG2 3.75Å; I164-F198 HydrophobicContact CD1-CE2 4.07Å; I164-F198 HydrophobicContact CD1-CZ 3.88Å
165A96.9Very high88Confident1 Ų143 Ų431%0.00824%0.244CC..EExtended strand (participates in β ladder)trans-114.8129.9168.400000109.7S156 A191 L219S156-A165 PolarHBondContact N-O 3.43Å; S156-A165 PolarHBondContact O-N 2.96Å; A165-A191 CarbonylContact C-O 3.6Å; A165-L219 HydrophobicContact CB-CB 4.1Å; A165-L219 HydrophobicContact CB-CD2 4.31Å
166V97.1Very high86.7Confident0 Ų045.6 Ų45.60%027%0.267CS..EExtended strand (participates in β ladder)trans-107.4113.8175.5-161.40000108.5L124 L130 L146 F152 Y154 L155 L190 A191 F193L124-V166 HydrophobicContact CD1-CG1 3.99Å; L124-V166 HydrophobicContact CD2-CG1 3.76Å; L124-V166 HydrophobicContact CG-CG1 4.47Å; L130-V166 HydrophobicContact CD2-CG2 4.09Å; L146-V166 HydrophobicContact CD1-CG1 3.82Å; F152-V166 HydrophobicContact CB-CG1 3.95Å; F152-V166 HydrophobicContact CD1-CB 4.31Å; F152-V166 HydrophobicContact CD1-CG1 3.84Å; F152-V166 HydrophobicContact CG-CG1 4.13Å; Y154-V166 WeakPolarHBondContact O-CA 3.48Å; L155-V166 HydrophobicContact CD2-CB 4.18Å; L155-V166 HydrophobicContact CD2-CG1 3.96Å; L155-V166 HydrophobicContact CD2-CG2 3.68Å; V166-L190 WeakPolarHBondContact O-CA 3.39Å; V166-A191 HydrophobicContact CB-CB 4.22Å; V166-A191 PolarHBondContact N-O 3.1Å; V166-A191 PolarHBondContact O-N 3.1Å; V166-F193 HydrophobicContact CG2-CD2 3.92Å; V166-F193 HydrophobicContact CG2-CE2 3.78Å
167K96.6Very high85.5Confident29 Ų2945 Ų4513%0.12627%0.265CS..EExtended strand (participates in β ladder)trans-102.2137.8-175.8-178.3174.574.71730112R153 Y154 L190 D216 A217R153-K167 PolarHBondContact N-O 2.91Å; Y154-K167 HydrophobicContact CD2-CB 4.35Å; Y154-K167 HydrophobicContact CD2-CG 4.29Å; Y154-K167 PolarHBondContact N-O 3.08Å; Y154-K167 PolarHBondContact O-N 3.12Å; K167-L190 HydrophobicContact CB-CD2 3.68Å; K167-L190 HydrophobicContact CD-CD2 4.11Å; K167-L190 HydrophobicContact CG-CD2 3.72Å; K167-D216 VanDerWaalsContact NZ-CG 3.25Å; K167-D216 IonicContact NZ-OD1 2.71Å; K167-D216 PolarHBondContact NZ-OD1 3.27Å; K167-D216 IonicContact NZ-OD2 3.63Å; K167-D216 PolarHBondContact NZ-OD2 3.27Å; K167-A217 WeakPolarHBondContact CD-O 3.35Å
168S95.5Very high84.3Confident3 Ų349.2 Ų49.22%0.02128%0.28CS..EExtended strand (participates in β ladder)trans-77154172.483.10000112.7K151 L188 Y189K151-S168 CarbonylContact O-C 3.55Å; K151-S168 VanDerWaalsContact O-CA 3.3Å; K151-S168 WeakPolarHBondContact O-CA 3.38Å; K151-S168 WeakPolarHBondContact O-CB 3.22Å; S168-L188 WeakPolarHBondContact OG-CA 3.39Å; S168-Y189 PolarHBondContact N-O 2.65Å; S168-Y189 PolarHBondContact OG-N 2.98Å
169A92.1Very high82.9Confident35 Ų3557.1 Ų57.129%0.28932%0.317SS..PPolyproline II helixtrans-57.5145.4160.200000109.8K151 R153 N171K151-A169 PolarHBondContact O-N 2.86Å; R153-A169 HydrophobicContact CG-CB 3.96Å; A169-N171 PolarHBondContact O-N 3.42Å
170Q87.8Confident82Confident77 Ų7759 Ų5936%0.3634%0.336SS..PPolyproline II helixtrans-61.1125.4176.4-166.1-175.224.700110K172 V214 T215Q170-K172 HydrophobicContact CG-CG 4.36Å; Q170-K172 PolarHBondContact O-N 3.35Å; Q170-V214 PolarHBondContact NE2-O 2.81Å; Q170-T215 PolarHBondContact NE2-O 2.82Å
171N83.9Confident80.9Confident69 Ų6958.6 Ų58.637%0.36935%0.346SS..  trans-77.689.8176.7-173.16.6000109.7A169 G173 P184 V186 L187A169-N171 PolarHBondContact O-N 3.42Å; N171-G173 PolarHBondContact O-N 2.78Å; N171-G173 PolarHBondContact OD1-N 3.19Å; N171-G173 VanDerWaalsContact OD1-N 3.15Å; N171-P184 HydrophobicContact CB-CG 4.25Å; N171-P184 WeakPolarHBondContact ND2-CB 3.32Å; N171-P184 WeakPolarHBondContact O-CG 3.19Å; N171-V186 WeakPolarHBondContact CB-O 3.44Å; N171-V186 PolarHBondContact ND2-O 2.92Å; N171-L187 PolarHBondContact N-O 2.72Å
172K74.6Confident79.9Confident119 Ų11960.5 Ų60.552%0.51736%0.361SS..  trans-79.61.3176.7-65.4-179.5180-179.10112.5Q170 R178Q170-K172 HydrophobicContact CG-CG 4.36Å; Q170-K172 PolarHBondContact O-N 3.35Å; K172-R178 WeakPolarHBondContact O-CD 3.45Å; K172-R178 VanDerWaalsContact O-CG 3.25Å; K172-R178 WeakPolarHBondContact O-CG 3.36Å; K172-R178 PolarHBondContact O-NE 3.35Å
173G67.6Low78.7Confident17 Ų1757 Ų5718%0.17535%0.351CS..  trans69172.3-172.500000113.1N171 R178N171-G173 PolarHBondContact O-N 2.78Å; N171-G173 PolarHBondContact OD1-N 3.19Å; N171-G173 VanDerWaalsContact OD1-N 3.15Å; G173-R178 PolarHBondContact O-NE 3.4Å; G173-R178 VanDerWaalsContact O-NE 3.15Å; G173-R178 PolarHBondContact O-NH2 3.4Å
174S67.9Low77.7Confident74 Ų7457.5 Ų57.552%0.51735%0.354SS..  trans-69.1155.4175.7700000111.2A176 A177 R178S174-A176 PolarHBondContact O-N 3.26Å; S174-A177 PolarHBondContact O-N 3.09Å; S174-A177 VanDerWaalsContact O-N 3.1Å; S174-A177 WeakPolarHBondContact OG-CB 3.31Å; S174-A177 PolarHBondContact OG-N 3.47Å; S174-R178 WeakPolarHBondContact O-CG 3.44Å; S174-R178 PolarHBondContact O-N 3.2Å
175A68.1Low77.2Confident66 Ų6661.2 Ų61.255%0.54538%0.378SS..Hα-helixtrans-56.3-38.7177.800000112.1R178 Q179A175-R178 PolarHBondContact O-N 2.99Å; A175-Q179 WeakPolarHBondContact O-CG 3.43Å; A175-Q179 PolarHBondContact O-N 2.92Å
176A67.9Low76.8Confident67 Ų6761.8 Ų61.855%0.55438%0.381SS*.Hα-helixtrans-65.2-42.2175.500000112.8S174 R178 Q179 A180S174-A176 PolarHBondContact O-N 3.26Å; A176-R178 VanDerWaalsContact C-N 3.34Å; A176-R178 PolarHBondContact O-N 2.82Å; A176-Q179 PolarHBondContact O-N 3.31Å; A176-A180 PolarHBondContact O-N 2.85Å
177A67.8Low76.6Confident26 Ų2662.6 Ų62.622%0.21539%0.386CS..Hα-helixtrans-65.4-37.917700000111.8S174 A180 G181 T182S174-A177 PolarHBondContact O-N 3.09Å; S174-A177 VanDerWaalsContact O-N 3.1Å; S174-A177 WeakPolarHBondContact OG-CB 3.31Å; S174-A177 PolarHBondContact OG-N 3.47Å; A177-A180 CarbonylContact O-C 3.53Å; A177-A180 PolarHBondContact O-N 3.21Å; A177-G181 PolarHBondContact O-N 2.78Å; A177-T182 CarbonylContact C-O 3.55Å; A177-T182 WeakPolarHBondContact CB-O 3.43Å; A177-T182 PolarHBondContact O-N 2.94Å; A177-T182 VanDerWaalsContact O-O 3.12Å
178R67.1Low76.4Confident143 Ų14361.3 Ų61.354%0.5438%0.38SS..Hα-helixtrans-63-43173.9-65.6178.8-150.3171.39.4112.2K172 G173 S174 A175 A176 A180 G181K172-R178 WeakPolarHBondContact O-CD 3.45Å; K172-R178 VanDerWaalsContact O-CG 3.25Å; K172-R178 WeakPolarHBondContact O-CG 3.36Å; K172-R178 PolarHBondContact O-NE 3.35Å; G173-R178 PolarHBondContact O-NE 3.4Å; G173-R178 VanDerWaalsContact O-NE 3.15Å; G173-R178 PolarHBondContact O-NH2 3.4Å; S174-R178 WeakPolarHBondContact O-CG 3.44Å; S174-R178 PolarHBondContact O-N 3.2Å; A175-R178 PolarHBondContact O-N 2.99Å; A176-R178 VanDerWaalsContact C-N 3.34Å; A176-R178 PolarHBondContact O-N 2.82Å; R178-A180 VanDerWaalsContact C-N 3.27Å; R178-A180 PolarHBondContact O-N 3.15Å; R178-G181 PolarHBondContact O-N 2.83Å; R178-G181 VanDerWaalsContact O-N 3.13Å
179Q65.1Low76.5Confident175 Ų17562.6 Ų62.682%0.81839%0.385SS*.Hα-helixtrans-65.7-30.4177.2-73.8175.1-7.100112.5A175 A176 G181A175-Q179 WeakPolarHBondContact O-CG 3.43Å; A175-Q179 PolarHBondContact O-N 2.92Å; A176-Q179 PolarHBondContact O-N 3.31Å; Q179-G181 VanDerWaalsContact C-N 3.28Å; Q179-G181 PolarHBondContact O-N 3.22Å
180A70.3Confident76.7Confident74 Ų7461.1 Ų61.161%0.61237%0.372SS*.THydrogen-bonded Turntrans-82.51.8174.300000114.1A176 A177 R178 T182A176-A180 PolarHBondContact O-N 2.85Å; A177-A180 CarbonylContact O-C 3.53Å; A177-A180 PolarHBondContact O-N 3.21Å; R178-A180 VanDerWaalsContact C-N 3.27Å; R178-A180 PolarHBondContact O-N 3.15Å; A180-T182 PolarHBondContact O-N 3.24Å
181G64.7Low77.1Confident69 Ų6957.4 Ų57.471%0.71136%0.355SS*.THydrogen-bonded Turntrans73.25.6-176.700000114.8A177 R178 Q179 S183A177-G181 PolarHBondContact O-N 2.78Å; R178-G181 PolarHBondContact O-N 2.83Å; R178-G181 VanDerWaalsContact O-N 3.13Å; Q179-G181 VanDerWaalsContact C-N 3.28Å; Q179-G181 PolarHBondContact O-N 3.22Å; G181-S183 PolarHBondContact O-N 2.83Å
182T65.9Low77.8Confident92 Ų9254.2 Ų54.256%0.56434%0.337SS*.  trans-91.8103.8-178.5-51.80000110.1A177 A180A177-T182 CarbonylContact C-O 3.55Å; A177-T182 WeakPolarHBondContact CB-O 3.43Å; A177-T182 PolarHBondContact O-N 2.94Å; A177-T182 VanDerWaalsContact O-O 3.12Å; A180-T182 PolarHBondContact O-N 3.24Å
183S65.2Low78.8Confident50 Ų5048.5 Ų48.535%0.3531%0.313SS..  trans-84.9143.2171.261.50000111.2G181 K208G181-S183 PolarHBondContact O-N 2.83Å; S183-K208 WeakPolarHBondContact OG-CD 3.41Å; S183-K208 PolarHBondContact OG-NZ 2.92Å
184P74.4Confident80Confident21 Ų2154 Ų5414%0.13633%0.328CS..  trans-61.2148.1173.527.5-34000111N171N171-P184 HydrophobicContact CB-CG 4.25Å; N171-P184 WeakPolarHBondContact ND2-CB 3.32Å; N171-P184 WeakPolarHBondContact O-CG 3.19Å
185P84.1Confident80.9Confident78 Ų7850.7 Ų50.751%0.50631%0.305SS..SBendtrans-68.7-37.8-178.226.2-33.2000112N207 K208P185-N207 PolarHBondContact O-OD1 2.82Å; P185-K208 WeakPolarHBondContact O-CB 3.45Å; P185-K208 PolarHBondContact O-N 3.28Å
186V90.1Very high81.3Confident13 Ų1350 Ų508%0.07929%0.292CS..EExtended strand (participates in β ladder)trans-95.7124.3177.4-1760000109.9N171 Y189 E205N171-V186 WeakPolarHBondContact CB-O 3.44Å; N171-V186 PolarHBondContact ND2-O 2.92Å; V186-Y189 HydrophobicContact CB-CE2 4.31Å; V186-Y189 HydrophobicContact CG1-CD1 4.45Å; V186-Y189 HydrophobicContact CG1-CD2 4.11Å; V186-Y189 HydrophobicContact CG1-CE1 3.93Å; V186-Y189 HydrophobicContact CG1-CE2 3.53Å; V186-Y189 VanDerWaalsContact CG1-CZ 3.43Å; V186-E205 HydrophobicContact CG1-CB 3.83Å; V186-E205 HydrophobicContact CG2-CB 4.45Å
187L91.6Very high81.8Confident18 Ų1851 Ų519%0.09429%0.292CS..EExtended strand (participates in β ladder)trans-89.8-41.5-175.5-60178.1000112.2N171 I206 K208 V214N171-L187 PolarHBondContact N-O 2.72Å; L187-I206 WeakPolarHBondContact CB-O 3.33Å; L187-I206 PolarHBondContact N-O 3.39Å; L187-K208 HydrophobicContact CD1-CB 4.05Å; L187-K208 HydrophobicContact CD1-CG 4.43Å; L187-K208 HydrophobicContact CD2-CB 4.11Å; L187-K208 HydrophobicContact CG-CB 4.01Å; L187-V214 HydrophobicContact CD1-CB 3.83Å; L187-V214 HydrophobicContact CD1-CG2 4.46Å
188L93.6Very high82.7Confident1 Ų151.1 Ų51.11%0.00529%0.288CS..EExtended strand (participates in β ladder)trans-159163178.559.990.7000111.1S168 L190 I206 V214 A217S168-L188 WeakPolarHBondContact OG-CA 3.39Å; L188-L190 HydrophobicContact CD1-CD1 4.41Å; L188-L190 HydrophobicContact CD1-CG 4.08Å; L188-I206 HydrophobicContact CD1-CB 3.77Å; L188-I206 HydrophobicContact CD1-CG1 3.35Å; L188-I206 HydrophobicContact CG-CB 3.81Å; L188-I206 HydrophobicContact CG-CG1 3.97Å; L188-I206 HydrophobicContact CG-CG2 4.39Å; L188-I206 PolarHBondContact O-N 2.57Å; L188-V214 HydrophobicContact CD2-CG1 4.26Å; L188-A217 HydrophobicContact CD1-CB 4.06Å; L188-A217 HydrophobicContact CD2-CB 4.14Å
189Y95.9Very high83.8Confident30 Ų3046.1 Ų46.112%0.11828%0.275CS..EExtended strand (participates in β ladder)trans-122.6145.1175.6-63.9-93.3000110.6Y149 C150 S168 V186 I203 L204 E205 C274Y149-Y189 HydrophobicContact CD2-CE1 4.22Å; Y149-Y189 HydrophobicContact CD2-CE2 4.02Å; Y149-Y189 AromaticContact CD2-CZ 3.83Å; Y149-Y189 AromaticContact CE2-CD1 3.84Å; Y149-Y189 HydrophobicContact CE2-CD1 3.84Å; Y149-Y189 HydrophobicContact CE2-CD2 4.19Å; Y149-Y189 AromaticContact CE2-CE1 3.64Å; Y149-Y189 HydrophobicContact CE2-CE1 3.64Å; Y149-Y189 HydrophobicContact CE2-CE2 4.02Å; Y149-Y189 HydrophobicContact CE2-CG 4.1Å; Y149-Y189 AromaticContact CE2-CZ 3.73Å; C150-Y189 HydrophobicContact CB-CD2 3.65Å; C150-Y189 HydrophobicContact CB-CE2 3.81Å; S168-Y189 PolarHBondContact N-O 2.65Å; S168-Y189 PolarHBondContact OG-N 2.98Å; V186-Y189 HydrophobicContact CB-CE2 4.31Å; V186-Y189 HydrophobicContact CG1-CD1 4.45Å; V186-Y189 HydrophobicContact CG1-CD2 4.11Å; V186-Y189 HydrophobicContact CG1-CE1 3.93Å; V186-Y189 HydrophobicContact CG1-CE2 3.53Å; V186-Y189 VanDerWaalsContact CG1-CZ 3.43Å; Y189-I203 HydrophobicContact CD1-CG2 4.36Å; Y189-L204 CarbonylContact C-O 3.51Å; Y189-L204 VanDerWaalsContact CA-O 3.29Å; Y189-L204 WeakPolarHBondContact CA-O 3.36Å; Y189-E205 HydrophobicContact CD1-CB 3.93Å; Y189-E205 HydrophobicContact CE1-CB 3.77Å; Y189-C274 HydrophobicContact CE1-CB 4.32Å
190L97Very high85.3Confident4 Ų438.6 Ų38.62%0.02124%0.24CC..EExtended strand (participates in β ladder)trans-125.7115173.2-66.5170.1000108.3V166 K167 L188 I203 L204 L224V166-L190 WeakPolarHBondContact O-CA 3.39Å; K167-L190 HydrophobicContact CB-CD2 3.68Å; K167-L190 HydrophobicContact CD-CD2 4.11Å; K167-L190 HydrophobicContact CG-CD2 3.72Å; L188-L190 HydrophobicContact CD1-CD1 4.41Å; L188-L190 HydrophobicContact CD1-CG 4.08Å; L190-I203 WeakPolarHBondContact O-CA 3.14Å; L190-L204 PolarHBondContact N-O 3.4Å; L190-L204 PolarHBondContact O-N 3.48Å; L190-L224 HydrophobicContact CD1-CD1 3.51Å
191A96.9Very high86.5Confident0 Ų036.7 Ų36.70%022%0.221CC..EExtended strand (participates in β ladder)trans-100.9126.917200000109.2F152 A165 V166 F193 I203F152-A191 HydrophobicContact CE1-CB 4.15Å; F152-A191 HydrophobicContact CZ-CB 4.35Å; A165-A191 CarbonylContact C-O 3.6Å; V166-A191 HydrophobicContact CB-CB 4.22Å; V166-A191 PolarHBondContact N-O 3.1Å; V166-A191 PolarHBondContact O-N 3.1Å; A191-F193 HydrophobicContact CB-CE2 3.71Å; A191-F193 HydrophobicContact CB-CZ 4.31Å; A191-I203 HydrophobicContact CB-CB 4.5Å; A191-I203 HydrophobicContact CB-CD1 3.84Å; A191-I203 HydrophobicContact CB-CG1 3.69Å; A191-I203 HydrophobicContact CB-CG2 4.46Å
192V97.3Very high88Confident1 Ų133.4 Ų33.41%0.00619%0.187CC..EExtended strand (participates in β ladder)trans-116.1130.8-173.5-174.70000109.5V163 I164 V201 G202 L219 F238V163-V192 HydrophobicContact CG1-CG1 3.64Å; I164-V192 WeakPolarHBondContact O-CA 3.25Å; V192-V201 HydrophobicContact CB-CB 4.1Å; V192-V201 HydrophobicContact CG1-CB 4.03Å; V192-V201 HydrophobicContact CG1-CG1 4.46Å; V192-V201 HydrophobicContact CG1-CG2 4.18Å; V192-V201 WeakPolarHBondContact O-CB 3.42Å; V192-V201 PolarHBondContact O-N 2.95Å; V192-G202 PolarHBondContact N-O 3.22Å; V192-G202 PolarHBondContact O-N 3.34Å; V192-L219 HydrophobicContact CB-CD2 4.47Å; V192-L219 HydrophobicContact CG1-CD2 3.97Å; V192-L219 HydrophobicContact CG2-CD2 3.6Å; V192-F238 HydrophobicContact CB-CE1 4.25Å; V192-F238 HydrophobicContact CB-CZ 4.05Å; V192-F238 HydrophobicContact CG1-CE1 4.09Å; V192-F238 HydrophobicContact CG1-CZ 4.39Å; V192-F238 HydrophobicContact CG2-CE1 4.05Å; V192-F238 HydrophobicContact CG2-CE2 4.24Å; V192-F238 HydrophobicContact CG2-CZ 3.56Å
193F96Very high89.4Confident0 Ų029 Ų290%016%0.161CC..EExtended strand (participates in β ladder)trans-130143.3-178.8-59-97.7000110.9L130 L146 V163 I164 V166 A191 F198 S199 L200 L252 I272L130-F193 HydrophobicContact CD2-CD2 4.07Å; L130-F193 HydrophobicContact CD2-CE2 3.96Å; L130-F193 HydrophobicContact CD2-CZ 4.31Å; L146-F193 HydrophobicContact CD2-CE2 3.9Å; L146-F193 HydrophobicContact CD2-CZ 3.6Å; V163-F193 CarbonylContact C-O 3.51Å; V163-F193 WeakPolarHBondContact CA-O 3.13Å; V163-F193 WeakPolarHBondContact CG1-O 3.2Å; I164-F193 HydrophobicContact CD1-CB 4.13Å; I164-F193 HydrophobicContact CD1-CD2 4.45Å; I164-F193 HydrophobicContact CG1-CB 3.76Å; I164-F193 HydrophobicContact CG1-CD2 4.38Å; I164-F193 PolarHBondContact N-O 2.94Å; I164-F193 PolarHBondContact O-N 3.37Å; V166-F193 HydrophobicContact CG2-CD2 3.92Å; V166-F193 HydrophobicContact CG2-CE2 3.78Å; A191-F193 HydrophobicContact CB-CE2 3.71Å; A191-F193 HydrophobicContact CB-CZ 4.31Å; F193-F198 HydrophobicContact CB-CE1 4.18Å; F193-F198 HydrophobicContact CB-CZ 4.21Å; F193-F198 HydrophobicContact CD1-CD1 4.26Å; F193-F198 AromaticContact CD1-CE1 3.63Å; F193-F198 HydrophobicContact CD1-CE1 3.63Å; F193-F198 HydrophobicContact CD1-CZ 4.36Å; F193-F198 HydrophobicContact CE1-CE1 4.2Å; F193-F198 AromaticContact CG-CE1 3.98Å; F193-F198 HydrophobicContact CG-CE1 3.98Å; F193-F198 HydrophobicContact CG-CZ 4.27Å; F193-S199 CarbonylContact C-O 3.52Å; F193-S199 WeakPolarHBondContact CA-O 3.41Å; F193-L200 HydrophobicContact CD1-CB 4.26Å; F193-L200 HydrophobicContact CD1-CD1 4.12Å; F193-L200 HydrophobicContact CE1-CB 4.15Å; F193-L200 HydrophobicContact CE1-CD1 3.64Å; F193-L200 HydrophobicContact CE1-CG 4.49Å; F193-L200 HydrophobicContact CE2-CD1 4.42Å; F193-L200 HydrophobicContact CZ-CD1 3.81Å; F193-L252 HydrophobicContact CE1-CD2 4.43Å; F193-I272 HydrophobicContact CE1-CD1 3.84Å; F193-I272 HydrophobicContact CZ-CD1 3.66Å
194R92.4Very high90.9Very high133 Ų13326.7 Ų26.750%0.50214%0.144SC..EExtended strand (participates in β ladder)trans-82.2139.4158.4-60-177.7-173.2-87.8-1.9107.7E162 V163 F198 S199 V201E162-R194 WeakPolarHBondContact O-CA 3.4Å; V163-R194 HydrophobicContact CG2-CG 4.41Å; R194-F198 VanDerWaalsContact O-CA 3.28Å; R194-F198 WeakPolarHBondContact O-CA 3.3Å; R194-S199 PolarHBondContact N-O 2.77Å; R194-S199 PolarHBondContact O-N 3.15Å; R194-V201 HydrophobicContact CG-CG2 3.82Å
195V87Confident91.8Very high4 Ų426.9 Ų26.92%0.02414%0.143CC..THydrogen-bonded Turntrans-79.5-34.1-177.6-179.70000111.8W103 I122 W157 E162 I164 P197 F198W103-V195 HydrophobicContact CD2-CG1 3.9Å; W103-V195 HydrophobicContact CG-CG1 3.76Å; I122-V195 HydrophobicContact CD1-CB 4.43Å; I122-V195 HydrophobicContact CD1-CG1 3.75Å; I122-V195 HydrophobicContact CD1-CG2 3.75Å; W157-V195 HydrophobicContact CH2-CG2 4Å; W157-V195 HydrophobicContact CZ3-CG2 3.71Å; E162-V195 PolarHBondContact O-N 2.78Å; I164-V195 HydrophobicContact CG1-CG2 4.36Å; I164-V195 HydrophobicContact CG2-CG2 3.75Å; V195-P197 CarbonylContact O-C 3.48Å; V195-F198 WeakPolarHBondContact O-CA 3.05Å; V195-F198 PolarHBondContact O-N 3.01Å; V195-F198 VanDerWaalsContact O-N 3.15Å
196L77.2Confident92.4Very high51 Ų5123.1 Ų23.127%0.26712%0.119SC..THydrogen-bonded Turntrans-132.8123.2178.4-73.7-176.9000113.4W103 P106 L111 D116W103-L196 HydrophobicContact CH2-CD1 3.59Å; W103-L196 HydrophobicContact CH2-CD2 3.97Å; W103-L196 HydrophobicContact CH2-CG 3.94Å; W103-L196 HydrophobicContact CZ2-CD1 3.15Å; W103-L196 HydrophobicContact CZ2-CD2 4.06Å; W103-L196 HydrophobicContact CZ2-CG 3.52Å; P106-L196 HydrophobicContact CG-CD1 3.93Å; L111-L196 HydrophobicContact CD1-CD1 4.05Å; L111-L196 HydrophobicContact CD2-CD1 3.48Å; L111-L196 VanDerWaalsContact CD2-CD1 3.48Å; L111-L196 HydrophobicContact CG-CD1 4.4Å; D116-L196 HydrophobicContact CB-CD2 4.04Å
197P78.4Confident92.5Very high87 Ų8723.5 Ų23.557%0.56512%0.12SC*.THydrogen-bonded Turncis-57.2151.5-24.229-34.8000109.6V195 S199V195-P197 CarbonylContact O-C 3.48Å; P197-S199 WeakPolarHBondContact O-CB 3.42Å; P197-S199 PolarHBondContact O-N 2.86Å; P197-S199 PolarHBondContact O-OG 3.1Å
198F86.1Confident92.4Very high30 Ų3026.1 Ų26.113%0.13213%0.131CC..THydrogen-bonded Turntrans-61.5107.8-179.9-152.6-84.7000109.2I122 L130 I144 I164 F193 R194 V195 L252I122-F198 HydrophobicContact CD1-CE2 4.45Å; L130-F198 HydrophobicContact CD2-CE1 3.94Å; L130-F198 HydrophobicContact CD2-CZ 3.52Å; L130-F198 HydrophobicContact CG-CZ 4.12Å; I144-F198 HydrophobicContact CD1-CD1 3.19Å; I144-F198 HydrophobicContact CD1-CE1 3.18Å; I144-F198 HydrophobicContact CD1-CG 4.28Å; I144-F198 HydrophobicContact CD1-CZ 4.25Å; I164-F198 HydrophobicContact CD1-CE2 4.07Å; I164-F198 HydrophobicContact CD1-CZ 3.88Å; F193-F198 HydrophobicContact CB-CE1 4.18Å; F193-F198 HydrophobicContact CB-CZ 4.21Å; F193-F198 HydrophobicContact CD1-CD1 4.26Å; F193-F198 AromaticContact CD1-CE1 3.63Å; F193-F198 HydrophobicContact CD1-CE1 3.63Å; F193-F198 HydrophobicContact CD1-CZ 4.36Å; F193-F198 HydrophobicContact CE1-CE1 4.2Å; F193-F198 AromaticContact CG-CE1 3.98Å; F193-F198 HydrophobicContact CG-CE1 3.98Å; F193-F198 HydrophobicContact CG-CZ 4.27Å; R194-F198 VanDerWaalsContact O-CA 3.28Å; R194-F198 WeakPolarHBondContact O-CA 3.3Å; V195-F198 WeakPolarHBondContact O-CA 3.05Å; V195-F198 PolarHBondContact O-N 3.01Å; V195-F198 VanDerWaalsContact O-N 3.15Å; F198-L252 HydrophobicContact CD1-CD1 3.97Å
199S91.6Very high92.2Very high38 Ų3834.5 Ų34.527%0.26617%0.167SC..EExtended strand (participates in β ladder)trans-146.3141.8-169.356.10000111.5F193 R194 P197F193-S199 CarbonylContact C-O 3.52Å; F193-S199 WeakPolarHBondContact CA-O 3.41Å; R194-S199 PolarHBondContact N-O 2.77Å; R194-S199 PolarHBondContact O-N 3.15Å; P197-S199 WeakPolarHBondContact O-CB 3.42Å; P197-S199 PolarHBondContact O-N 2.86Å; P197-S199 PolarHBondContact O-OG 3.1Å
200L95.3Very high92Very high16 Ų1634.2 Ų34.28%0.08417%0.169CC..EExtended strand (participates in β ladder)trans-76.7125.4179.117967.8000109.9F193 I203 L250 L252 I272F193-L200 HydrophobicContact CD1-CB 4.26Å; F193-L200 HydrophobicContact CD1-CD1 4.12Å; F193-L200 HydrophobicContact CE1-CB 4.15Å; F193-L200 HydrophobicContact CE1-CD1 3.64Å; F193-L200 HydrophobicContact CE1-CG 4.49Å; F193-L200 HydrophobicContact CE2-CD1 4.42Å; F193-L200 HydrophobicContact CZ-CD1 3.81Å; L200-I203 HydrophobicContact CD1-CG1 4Å; L200-L250 HydrophobicContact CD2-CB 3.85Å; L200-L250 HydrophobicContact CD2-CD1 4.48Å; L200-L252 HydrophobicContact CB-CD2 4.46Å; L200-L252 HydrophobicContact CB-CG 4.37Å; L200-I272 HydrophobicContact CD1-CD1 4.45Å; L200-I272 HydrophobicContact CD1-CG2 4.36Å; L200-I272 HydrophobicContact CD2-CG2 3.41Å; L200-I272 VanDerWaalsContact CD2-CG2 3.41Å
201V95.9Very high91.6Very high34 Ų3434 Ų3421%0.20617%0.168CC..EExtended strand (participates in β ladder)trans-85.2-45168.7-179.40000109.7V192 R194 F238 M246V192-V201 HydrophobicContact CB-CB 4.1Å; V192-V201 HydrophobicContact CG1-CB 4.03Å; V192-V201 HydrophobicContact CG1-CG1 4.46Å; V192-V201 HydrophobicContact CG1-CG2 4.18Å; V192-V201 WeakPolarHBondContact O-CB 3.42Å; V192-V201 PolarHBondContact O-N 2.95Å; R194-V201 HydrophobicContact CG-CG2 3.82Å; V201-F238 HydrophobicContact CG1-CE1 4.02Å; V201-M246 WeakPolarHBondContact O-CE 3.4Å
202G95.8Very high91.1Very high1 Ų140.2 Ų40.21%0.0120%0.196CC..EExtended strand (participates in β ladder)trans168.5162.217500000112.8V192V192-G202 PolarHBondContact N-O 3.22Å; V192-G202 PolarHBondContact O-N 3.34Å
203I96.4Very high90.6Very high0 Ų044.7 Ų44.70%022%0.221CC..EExtended strand (participates in β ladder)trans-113.2115.2169.6-56.6-163.9000108.7Y189 L190 A191 L200 I272 C274 N275 V276Y189-I203 HydrophobicContact CD1-CG2 4.36Å; L190-I203 WeakPolarHBondContact O-CA 3.14Å; A191-I203 HydrophobicContact CB-CB 4.5Å; A191-I203 HydrophobicContact CB-CD1 3.84Å; A191-I203 HydrophobicContact CB-CG1 3.69Å; A191-I203 HydrophobicContact CB-CG2 4.46Å; L200-I203 HydrophobicContact CD1-CG1 4Å; I203-I272 HydrophobicContact CD1-CB 3.58Å; I203-I272 HydrophobicContact CD1-CD1 4.49Å; I203-I272 HydrophobicContact CD1-CG2 3.34Å; I203-I272 HydrophobicContact CG1-CG2 3.89Å; I203-C274 HydrophobicContact CG2-CB 4.48Å; I203-C274 PolarHBondContact O-SG 2.96Å; I203-N275 PolarHBondContact N-OD1 3.16Å; I203-N275 PolarHBondContact O-N 3.07Å; I203-V276 WeakPolarHBondContact O-CB 3.08Å; I203-V276 PolarHBondContact O-N 3.39Å
204L95.7Very high90.4Very high1 Ų145.1 Ų45.11%0.00522%0.223CC..EExtended strand (participates in β ladder)trans-98.1135.1179.4172.265000111.1Y189 L190 I206 L224 F238 I241 V276 I278Y189-L204 CarbonylContact C-O 3.51Å; Y189-L204 VanDerWaalsContact CA-O 3.29Å; Y189-L204 WeakPolarHBondContact CA-O 3.36Å; L190-L204 PolarHBondContact N-O 3.4Å; L190-L204 PolarHBondContact O-N 3.48Å; L204-I206 HydrophobicContact CD2-CD1 3.86Å; L204-I206 HydrophobicContact CG-CD1 4.14Å; L204-L224 HydrophobicContact CD2-CD1 4.35Å; L204-L224 HydrophobicContact CD2-CD2 3.88Å; L204-F238 HydrophobicContact CD2-CE2 4.37Å; L204-I241 HydrophobicContact CD1-CG2 4.25Å; L204-V276 HydrophobicContact CB-CB 4.33Å; L204-V276 HydrophobicContact CB-CG1 4.45Å; L204-V276 HydrophobicContact CD1-CB 4.29Å; L204-V276 HydrophobicContact CD1-CG1 3.77Å; L204-I278 HydrophobicContact CD1-CD1 3.48Å; L204-I278 VanDerWaalsContact CD1-CD1 3.48Å; L204-I278 HydrophobicContact CD1-CG1 3.58Å; L204-I278 HydrophobicContact CD2-CD1 4.35Å; L204-I278 HydrophobicContact CG-CD1 4.49Å
205E94.5Very high90.3Very high24 Ų2441.2 Ų41.211%0.11221%0.214CC..EExtended strand (participates in β ladder)trans-97.3134.5164.765175.9-123.700111.9V186 Y189 N207 V276 K277V186-E205 HydrophobicContact CG1-CB 3.83Å; V186-E205 HydrophobicContact CG2-CB 4.45Å; Y189-E205 HydrophobicContact CD1-CB 3.93Å; Y189-E205 HydrophobicContact CE1-CB 3.77Å; E205-N207 PolarHBondContact OE1-ND2 3.19Å; E205-V276 PolarHBondContact N-O 2.63Å; E205-K277 HydrophobicContact CG-CG 4.22Å
206I94.8Very high90.5Very high0 Ų043.6 Ų43.60%023%0.227CC..EExtended strand (participates in β ladder)trans-95.3105.5166.4-58.6-53.8000107.9L187 L188 L204 F211 V214 A217 L224L187-I206 WeakPolarHBondContact CB-O 3.33Å; L187-I206 PolarHBondContact N-O 3.39Å; L188-I206 HydrophobicContact CD1-CB 3.77Å; L188-I206 HydrophobicContact CD1-CG1 3.35Å; L188-I206 HydrophobicContact CG-CB 3.81Å; L188-I206 HydrophobicContact CG-CG1 3.97Å; L188-I206 HydrophobicContact CG-CG2 4.39Å; L188-I206 PolarHBondContact O-N 2.57Å; L204-I206 HydrophobicContact CD2-CD1 3.86Å; L204-I206 HydrophobicContact CG-CD1 4.14Å; I206-F211 HydrophobicContact CD1-CD2 4.49Å; I206-F211 HydrophobicContact CD1-CE2 4.26Å; I206-F211 HydrophobicContact CG2-CB 4.04Å; I206-F211 HydrophobicContact CG2-CD2 3.91Å; I206-F211 HydrophobicContact CG2-CG 4.13Å; I206-V214 HydrophobicContact CG2-CG1 4.34Å; I206-V214 HydrophobicContact CG2-CG2 4.25Å; I206-A217 HydrophobicContact CG1-CB 4.29Å; I206-L224 HydrophobicContact CD1-CD2 4.09Å
207N92.4Very high91.3Very high20 Ų2041.2 Ų41.211%0.10721%0.214CC..EExtended strand (participates in β ladder)trans-96.1135.2-174.6-161.3-62.6000111.3P185 E205 K209 V210 F211P185-N207 PolarHBondContact O-OD1 2.82Å; E205-N207 PolarHBondContact OE1-ND2 3.19Å; N207-K209 PolarHBondContact O-N 3.24Å; N207-K209 WeakPolarHBondContact OD1-CB 3.46Å; N207-K209 WeakPolarHBondContact OD1-CG 3.44Å; N207-K209 PolarHBondContact OD1-N 2.86Å; N207-V210 PolarHBondContact O-N 2.98Å; N207-V210 VanDerWaalsContact O-N 3.14Å; N207-F211 PolarHBondContact O-N 2.99Å
208K90.4Very high92Very high74 Ų7439 Ų3932%0.32220%0.199SC..THydrogen-bonded Turntrans-59.2-31.3177.8-171.9-176.7-180-169.10112.6S183 P185 L187 V210 F211 E212S183-K208 WeakPolarHBondContact OG-CD 3.41Å; S183-K208 PolarHBondContact OG-NZ 2.92Å; P185-K208 WeakPolarHBondContact O-CB 3.45Å; P185-K208 PolarHBondContact O-N 3.28Å; L187-K208 HydrophobicContact CD1-CB 4.05Å; L187-K208 HydrophobicContact CD1-CG 4.43Å; L187-K208 HydrophobicContact CD2-CB 4.11Å; L187-K208 HydrophobicContact CG-CB 4.01Å; K208-V210 PolarHBondContact O-N 3.13Å; K208-F211 CarbonylContact O-C 3.52Å; K208-E212 WeakPolarHBondContact O-CA 3.19Å; K208-E212 PolarHBondContact O-N 2.97Å
209K89.7Confident92.3Very high177 Ų17737.6 Ų37.677%0.7719%0.193SC*.THydrogen-bonded Turntrans-63.1-31.2179.3-68.5-176.2177.6-176.80112.8N207N207-K209 PolarHBondContact O-N 3.24Å; N207-K209 WeakPolarHBondContact OD1-CB 3.46Å; N207-K209 WeakPolarHBondContact OD1-CG 3.44Å; N207-K209 PolarHBondContact OD1-N 2.86Å
210V91.2Very high92.2Very high24 Ų2437.8 Ų37.815%0.14519%0.194CC..THydrogen-bonded Turntrans-99.2-43.8-179.7-178.60000110.9N207 K208 I278N207-V210 PolarHBondContact O-N 2.98Å; N207-V210 VanDerWaalsContact O-N 3.14Å; K208-V210 PolarHBondContact O-N 3.13Å; V210-I278 HydrophobicContact CB-CG2 4.5Å; V210-I278 HydrophobicContact CG1-CG2 3.84Å; V210-I278 HydrophobicContact CG2-CG2 4.39Å; V210-I278 WeakPolarHBondContact CG2-O 3.25Å
211F89.6Confident91.9Very high0 Ų043.2 Ų43.20%022%0.219CC..SBendtrans-112.478.8-178.3-51.4-87.8000109.3I206 N207 K208 V214 V226 Y236 I278 P282I206-F211 HydrophobicContact CD1-CD2 4.49Å; I206-F211 HydrophobicContact CD1-CE2 4.26Å; I206-F211 HydrophobicContact CG2-CB 4.04Å; I206-F211 HydrophobicContact CG2-CD2 3.91Å; I206-F211 HydrophobicContact CG2-CG 4.13Å; N207-F211 PolarHBondContact O-N 2.99Å; K208-F211 CarbonylContact O-C 3.52Å; F211-V214 HydrophobicContact CB-CG2 3.4Å; F211-V214 WeakPolarHBondContact O-CG2 3.41Å; F211-V226 HydrophobicContact CD1-CG1 4.26Å; F211-V226 HydrophobicContact CD1-CG2 4.36Å; F211-V226 HydrophobicContact CE1-CG2 4.36Å; F211-Y236 HydrophobicContact CD1-CE2 4.43Å; F211-Y236 HydrophobicContact CE1-CD2 4.48Å; F211-Y236 AromaticContact CE1-CE2 3.85Å; F211-Y236 HydrophobicContact CE1-CE2 3.85Å; F211-Y236 AromaticContact CE1-CZ 3.89Å; F211-I278 HydrophobicContact CE2-CB 4.18Å; F211-I278 HydrophobicContact CE2-CD1 3.69Å; F211-I278 HydrophobicContact CE2-CG2 4.01Å; F211-I278 HydrophobicContact CZ-CD1 3.63Å; F211-I278 HydrophobicContact CZ-CG2 4.13Å; F211-P282 HydrophobicContact CZ-CG 4.28Å
212E85.6Confident91.7Very high129 Ų12942.9 Ų42.960%0.60322%0.222SC*.THydrogen-bonded Turntrans-60.2139.3178.8-64.8-170.6163.500111.2K208 V214 Y228K208-E212 WeakPolarHBondContact O-CA 3.19Å; K208-E212 PolarHBondContact O-N 2.97Å; E212-V214 VanDerWaalsContact C-N 3.31Å; E212-V214 PolarHBondContact O-N 2.94Å; E212-Y228 WeakPolarHBondContact O-CD1 3.41Å; E212-Y228 VanDerWaalsContact O-CE1 3.28Å; E212-Y228 WeakPolarHBondContact O-CE1 3.07Å
213N86.8Confident91.6Very high96 Ų9645.3 Ų45.351%0.51324%0.235SC..THydrogen-bonded Turntrans57.932.7171.1-55.5-44000116.1T215 S229N213-T215 PolarHBondContact O-N 3.06Å; N213-S229 PolarHBondContact O-N 3.21Å
214V90.7Very high91.6Very high9 Ų945.3 Ų45.36%0.05524%0.235CC..EExtended strand (participates in β ladder)trans-66.5131.9173.5173.40000111.6Q170 L187 L188 I206 F211 E212 D216 V226 Y228Q170-V214 PolarHBondContact NE2-O 2.81Å; L187-V214 HydrophobicContact CD1-CB 3.83Å; L187-V214 HydrophobicContact CD1-CG2 4.46Å; L188-V214 HydrophobicContact CD2-CG1 4.26Å; I206-V214 HydrophobicContact CG2-CG1 4.34Å; I206-V214 HydrophobicContact CG2-CG2 4.25Å; F211-V214 HydrophobicContact CB-CG2 3.4Å; F211-V214 WeakPolarHBondContact O-CG2 3.41Å; E212-V214 VanDerWaalsContact C-N 3.31Å; E212-V214 PolarHBondContact O-N 2.94Å; V214-D216 WeakPolarHBondContact CG1-O 3.37Å; V214-V226 HydrophobicContact CB-CG1 4.44Å; V214-V226 HydrophobicContact CG1-CG1 4.06Å; V214-V226 HydrophobicContact CG2-CG1 3.48Å; V214-V226 VanDerWaalsContact CG2-CG1 3.48Å; V214-Y228 HydrophobicContact CG2-CD1 4.23Å; V214-Y228 HydrophobicContact CG2-CE1 3.99Å
215T90.5Very high91.5Very high51 Ų5146.8 Ų46.831%0.31324%0.242SC..EExtended strand (participates in β ladder)trans-89.4-45.717251.40000111.7Q170 N213 M227 S229 N293Q170-T215 PolarHBondContact NE2-O 2.82Å; N213-T215 PolarHBondContact O-N 3.06Å; T215-M227 PolarHBondContact N-O 2.9Å; T215-M227 VanDerWaalsContact OG1-C 3.32Å; T215-M227 PolarHBondContact OG1-O 3.25Å; T215-S229 VanDerWaalsContact CG2-CA 3.48Å; T215-N293 PolarHBondContact OG1-ND2 2.82Å
216D92Very high91.6Very high54 Ų5445.7 Ų45.729%0.28924%0.237SC..EExtended strand (participates in β ladder)trans-158164.2177.7-166.120.1000110.3K167 V214 M227K167-D216 VanDerWaalsContact NZ-CG 3.25Å; K167-D216 IonicContact NZ-OD1 2.71Å; K167-D216 PolarHBondContact NZ-OD1 3.27Å; K167-D216 IonicContact NZ-OD2 3.63Å; K167-D216 PolarHBondContact NZ-OD2 3.27Å; V214-D216 WeakPolarHBondContact CG1-O 3.37Å; D216-M227 HydrophobicContact CB-CE 3.68Å; D216-M227 PolarHBondContact N-O 3.43Å; D216-M227 PolarHBondContact O-N 2.79Å
217A93.4Very high91.5Very high0 Ų047.1 Ų47.10%024%0.244CC..EExtended strand (participates in β ladder)trans-144.7147.5169.300000110.5K167 L188 I206 L224 I225 V226K167-A217 WeakPolarHBondContact CD-O 3.35Å; L188-A217 HydrophobicContact CD1-CB 4.06Å; L188-A217 HydrophobicContact CD2-CB 4.14Å; I206-A217 HydrophobicContact CG1-CB 4.29Å; A217-L224 HydrophobicContact CB-CD1 4.45Å; A217-I225 CarbonylContact C-O 3.53Å; A217-I225 WeakPolarHBondContact CA-O 3.34Å; A217-V226 HydrophobicContact CB-CG2 4.28Å
218T92.9Very high91.6Very high40 Ų4046.9 Ų46.925%0.24524%0.242CC..EExtended strand (participates in β ladder)trans-142161.7179.5-1660000110.9I225T218-I225 HydrophobicContact CG2-CB 3.92Å; T218-I225 HydrophobicContact CG2-CD1 3.91Å; T218-I225 HydrophobicContact CG2-CG1 4.42Å; T218-I225 HydrophobicContact CG2-CG2 4.49Å; T218-I225 PolarHBondContact N-O 3.46Å; T218-I225 PolarHBondContact O-N 3.28Å
219L92.8Very high91.6Very high2 Ų247.3 Ų47.31%0.0125%0.254CS..EExtended strand (participates in β ladder)trans-115.9130.5177.8-168.774.3000108.7D158 A165 V192 L224 F238D158-L219 HydrophobicContact CB-CD2 3.96Å; D158-L219 HydrophobicContact CB-CG 4.24Å; D158-L219 WeakPolarHBondContact OD1-CG 3.38Å; A165-L219 HydrophobicContact CB-CB 4.1Å; A165-L219 HydrophobicContact CB-CD2 4.31Å; V192-L219 HydrophobicContact CB-CD2 4.47Å; V192-L219 HydrophobicContact CG1-CD2 3.97Å; V192-L219 HydrophobicContact CG2-CD2 3.6Å; L219-L224 HydrophobicContact CD1-CB 4.27Å; L219-F238 HydrophobicContact CD1-CB 3.66Å; L219-F238 HydrophobicContact CD1-CD1 4.15Å; L219-F238 HydrophobicContact CD1-CD2 3.79Å; L219-F238 HydrophobicContact CD1-CG 3.59Å; L219-F238 HydrophobicContact CD2-CD1 4.23Å; L219-F238 HydrophobicContact CD2-CE1 4.28Å; L219-F238 HydrophobicContact CD2-CG 4.43Å
220S89.4Confident91.6Very high42 Ų4242.2 Ų42.229%0.29424%0.241SC..EExtended strand (participates in β ladder)trans-148.3130.5174.6-172.30000110.7D158 G222 I223D158-S220 WeakPolarHBondContact OD1-CA 3.44Å; D158-S220 PolarHBondContact OD1-N 3.24Å; S220-G222 PolarHBondContact O-N 3.5Å; S220-I223 PolarHBondContact N-O 2.91Å; S220-I223 WeakPolarHBondContact O-CB 3.08Å; S220-I223 PolarHBondContact O-N 2.91Å
221H88.8Confident91.5Very high130 Ų13041.3 Ų41.360%0.60224%0.236SC*.THydrogen-bonded Turntrans46.741.7-177.9-5881.7000113.9D158 I223D158-H221 PolarHBondContact O-N 2.84Å; D158-H221 PolarHBondContact OD1-N 3.41Å; H221-I223 PolarHBondContact O-N 2.79Å
222G92.5Very high91.7Very high26 Ų2642.8 Ų42.827%0.26824%0.244SC..THydrogen-bonded Turntrans72.112.5-178.800000114.7D158 S220 F238D158-G222 PolarHBondContact OD1-N 3.24Å; D158-G222 PolarHBondContact OD2-N 2.93Å; S220-G222 PolarHBondContact O-N 3.5Å; G222-F238 WeakPolarHBondContact O-CB 3.19Å; G222-F238 PolarHBondContact O-N 3.09Å
223I94.3Very high92.1Very high53 Ų5336.6 Ų36.627%0.27222%0.215SC..EExtended strand (participates in β ladder)trans-108.5122.5175.2-57.7175.5000108.8S220 H221 I225 L235 Y236S220-I223 PolarHBondContact N-O 2.91Å; S220-I223 WeakPolarHBondContact O-CB 3.08Å; S220-I223 PolarHBondContact O-N 2.91Å; H221-I223 PolarHBondContact O-N 2.79Å; I223-I225 HydrophobicContact CG2-CG1 4.36Å; I223-I225 PolarHBondContact O-N 3.14Å; I223-L235 HydrophobicContact CG2-CB 3.72Å; I223-L235 HydrophobicContact CG2-CD1 4.38Å; I223-L235 HydrophobicContact CG2-CD2 4.08Å; I223-L235 HydrophobicContact CG2-CG 4.29Å; I223-Y236 WeakPolarHBondContact CA-O 3.45Å
224L95.8Very high92.5Very high0 Ų035.2 Ų35.20%020%0.203CC..EExtended strand (participates in β ladder)trans-80.9114.6169.717670000108.8L190 L204 I206 A217 L219 V226 L235 Y236 I241L190-L224 HydrophobicContact CD1-CD1 3.51Å; L204-L224 HydrophobicContact CD2-CD1 4.35Å; L204-L224 HydrophobicContact CD2-CD2 3.88Å; I206-L224 HydrophobicContact CD1-CD2 4.09Å; A217-L224 HydrophobicContact CB-CD1 4.45Å; L219-L224 HydrophobicContact CD1-CB 4.27Å; L224-V226 HydrophobicContact CD2-CG2 4.09Å; L224-V226 HydrophobicContact CG-CG2 3.94Å; L224-L235 CarbonylContact O-C 3.46Å; L224-L235 WeakPolarHBondContact O-CA 3.49Å; L224-Y236 HydrophobicContact CD2-CD2 4.43Å; L224-Y236 PolarHBondContact N-O 3.26Å; L224-Y236 PolarHBondContact O-N 3.39Å; L224-I241 HydrophobicContact CB-CD1 4.38Å; L224-I241 HydrophobicContact CD2-CD1 3.64Å
225I94.8Very high92.7Very high32 Ų3235.1 Ų35.116%0.16420%0.202CC..EExtended strand (participates in β ladder)trans-98.2116.8177.2-55.9160.4000107.9A217 T218 I223 V233 L235A217-I225 CarbonylContact C-O 3.53Å; A217-I225 WeakPolarHBondContact CA-O 3.34Å; T218-I225 HydrophobicContact CG2-CB 3.92Å; T218-I225 HydrophobicContact CG2-CD1 3.91Å; T218-I225 HydrophobicContact CG2-CG1 4.42Å; T218-I225 HydrophobicContact CG2-CG2 4.49Å; T218-I225 PolarHBondContact N-O 3.46Å; T218-I225 PolarHBondContact O-N 3.28Å; I223-I225 HydrophobicContact CG2-CG1 4.36Å; I223-I225 PolarHBondContact O-N 3.14Å; I225-V233 HydrophobicContact CG2-CG1 3.84Å; I225-L235 HydrophobicContact CB-CD2 4Å; I225-L235 HydrophobicContact CG1-CD2 3.53Å; I225-L235 HydrophobicContact CG2-CD2 3.9Å
226V95.1Very high93Very high0 Ų032.7 Ų32.70%019%0.187CC..EExtended strand (participates in β ladder)trans-112.3126.8178.3-175.20000109.8F211 V214 A217 L224 Y228 V233 R234 Y236F211-V226 HydrophobicContact CD1-CG1 4.26Å; F211-V226 HydrophobicContact CD1-CG2 4.36Å; F211-V226 HydrophobicContact CE1-CG2 4.36Å; V214-V226 HydrophobicContact CB-CG1 4.44Å; V214-V226 HydrophobicContact CG1-CG1 4.06Å; V214-V226 HydrophobicContact CG2-CG1 3.48Å; V214-V226 VanDerWaalsContact CG2-CG1 3.48Å; A217-V226 HydrophobicContact CB-CG2 4.28Å; L224-V226 HydrophobicContact CD2-CG2 4.09Å; L224-V226 HydrophobicContact CG-CG2 3.94Å; V226-Y228 HydrophobicContact CB-CE2 4.11Å; V226-Y228 HydrophobicContact CG1-CD2 4.35Å; V226-Y228 HydrophobicContact CG1-CE1 4.48Å; V226-Y228 HydrophobicContact CG1-CE2 3.73Å; V226-V233 WeakPolarHBondContact O-CA 3.42Å; V226-R234 PolarHBondContact N-O 2.95Å; V226-R234 PolarHBondContact O-N 3.06Å; V226-Y236 HydrophobicContact CB-CE2 4.05Å; V226-Y236 HydrophobicContact CG2-CD2 3.88Å; V226-Y236 HydrophobicContact CG2-CE2 3.7Å
227M93.9Very high93.2Very high31 Ų3131.8 Ų31.815%0.15319%0.185CC..EExtended strand (participates in β ladder)trans-111.1128.1-176.4-66.7172.6-88.300110.8T215 D216 V233 N293T215-M227 PolarHBondContact N-O 2.9Å; T215-M227 VanDerWaalsContact OG1-C 3.32Å; T215-M227 PolarHBondContact OG1-O 3.25Å; D216-M227 HydrophobicContact CB-CE 3.68Å; D216-M227 PolarHBondContact N-O 3.43Å; D216-M227 PolarHBondContact O-N 2.79Å; M227-V233 HydrophobicContact CG-CG2 4.39Å; M227-N293 HydrophobicContact CB-CB 4.02Å; M227-N293 HydrophobicContact CG-CB 3.85Å; M227-N293 HydrophobicContact SD-CB 3.82Å
228Y93Very high93.3Very high14 Ų1432.5 Ų32.56%0.05519%0.188CC..EExtended strand (participates in β ladder)trans-107.1154.8-173.4-64.8-96.4000111.9E212 V214 V226 S230 G231 L232 R234 Y236 N293E212-Y228 WeakPolarHBondContact O-CD1 3.41Å; E212-Y228 VanDerWaalsContact O-CE1 3.28Å; E212-Y228 WeakPolarHBondContact O-CE1 3.07Å; V214-Y228 HydrophobicContact CG2-CD1 4.23Å; V214-Y228 HydrophobicContact CG2-CE1 3.99Å; V226-Y228 HydrophobicContact CB-CE2 4.11Å; V226-Y228 HydrophobicContact CG1-CD2 4.35Å; V226-Y228 HydrophobicContact CG1-CE1 4.48Å; V226-Y228 HydrophobicContact CG1-CE2 3.73Å; Y228-S230 PolarHBondContact O-N 2.8Å; Y228-S230 VanDerWaalsContact O-N 3.16Å; Y228-G231 PolarHBondContact O-N 3.49Å; Y228-L232 WeakPolarHBondContact CB-O 3.09Å; Y228-L232 HydrophobicContact CD2-CB 4.14Å; Y228-L232 HydrophobicContact CD2-CD2 4.33Å; Y228-L232 HydrophobicContact CD2-CG 4.29Å; Y228-L232 VanDerWaalsContact CD2-O 3.3Å; Y228-L232 WeakPolarHBondContact CD2-O 3.32Å; Y228-L232 HydrophobicContact CG-CB 4.35Å; Y228-L232 PolarHBondContact N-O 3.2Å; Y228-R234 HydrophobicContact CE2-CB 4.07Å; Y228-R234 HydrophobicContact CE2-CG 3.91Å; Y228-Y236 PolarHBondContact OH-OH 2.89Å; Y228-N293 PolarHBondContact O-OD1 3.27Å
229S90.4Very high93.4Very high83 Ų8336.7 Ų36.758%0.5820%0.204SC*.THydrogen-bonded Turntrans-66-17.6178.4660000113.8N213 T215 G231N213-S229 PolarHBondContact O-N 3.21Å; T215-S229 VanDerWaalsContact CG2-CA 3.48Å; S229-G231 PolarHBondContact O-N 3.28Å
230S89.8Confident93.6Very high71 Ų7138.6 Ų38.650%0.49722%0.221SC..THydrogen-bonded Turntrans-73.2-8.1172.955.10000113.6Y228 L232 N309Y228-S230 PolarHBondContact O-N 2.8Å; Y228-S230 VanDerWaalsContact O-N 3.16Å; S230-L232 VanDerWaalsContact C-N 3.33Å; S230-L232 WeakPolarHBondContact OG-CB 3.37Å; S230-L232 PolarHBondContact OG-N 2.89Å; S230-N309 PolarHBondContact O-ND2 2.65Å
231G89.6Confident93.9Very high5 Ų536.7 Ų36.75%0.05221%0.207CC..SBendtrans82.69.3-16800000113.1Y228 S229 S289 S290 N293Y228-G231 PolarHBondContact O-N 3.49Å; S229-G231 PolarHBondContact O-N 3.28Å; G231-S289 CarbonylContact O-C 3.59Å; G231-S289 WeakPolarHBondContact O-CA 3.49Å; G231-S290 CarbonylContact C-O 3.58Å; G231-S290 VanDerWaalsContact CA-O 3.24Å; G231-S290 WeakPolarHBondContact CA-O 3.48Å; G231-S290 PolarHBondContact O-N 3.42Å; G231-N293 WeakPolarHBondContact CA-OD1 3.2Å
232L93.5Very high94.2Very high30 Ų3031.9 Ų31.916%0.15719%0.186CC..EExtended strand (participates in β ladder)trans-79139.1173.3-174.769.5000109.7Y228 S230 R234 E287Y228-L232 WeakPolarHBondContact CB-O 3.09Å; Y228-L232 HydrophobicContact CD2-CB 4.14Å; Y228-L232 HydrophobicContact CD2-CD2 4.33Å; Y228-L232 HydrophobicContact CD2-CG 4.29Å; Y228-L232 VanDerWaalsContact CD2-O 3.3Å; Y228-L232 WeakPolarHBondContact CD2-O 3.32Å; Y228-L232 HydrophobicContact CG-CB 4.35Å; Y228-L232 PolarHBondContact N-O 3.2Å; S230-L232 VanDerWaalsContact C-N 3.33Å; S230-L232 WeakPolarHBondContact OG-CB 3.37Å; S230-L232 PolarHBondContact OG-N 2.89Å; L232-R234 HydrophobicContact CD2-CG 4.18Å; L232-R234 HydrophobicContact CG-CG 4.22Å; L232-E287 HydrophobicContact CD1-CB 4.49Å
233V94.3Very high94.3Very high0 Ų037.2 Ų37.20%020%0.204CC..EExtended strand (participates in β ladder)trans-120.9128.3171.4-177.90000107.9I225 V226 M227 L235 E287 V288 N293 F295I225-V233 HydrophobicContact CG2-CG1 3.84Å; V226-V233 WeakPolarHBondContact O-CA 3.42Å; M227-V233 HydrophobicContact CG-CG2 4.39Å; V233-L235 HydrophobicContact CG1-CD2 4.5Å; V233-E287 WeakPolarHBondContact O-CA 3.49Å; V233-V288 HydrophobicContact CB-CG1 4.18Å; V233-V288 PolarHBondContact N-O 3.4Å; V233-V288 PolarHBondContact O-N 3.04Å; V233-N293 HydrophobicContact CG2-CB 4.12Å; V233-F295 HydrophobicContact CG1-CB 4.41Å; V233-F295 HydrophobicContact CG1-CD1 4.09Å; V233-F295 HydrophobicContact CG1-CG 4.24Å; V233-F295 HydrophobicContact CG2-CB 4.33Å
234R95.4Very high94.4Very high66 Ų6640.4 Ų40.425%0.24922%0.217CC..EExtended strand (participates in β ladder)trans-123.6139.7176.7-68.8-171.1166.8149.8-3.6111.6V226 Y228 L232 Y236 F286 E287V226-R234 PolarHBondContact N-O 2.95Å; V226-R234 PolarHBondContact O-N 3.06Å; Y228-R234 HydrophobicContact CE2-CB 4.07Å; Y228-R234 HydrophobicContact CE2-CG 3.91Å; L232-R234 HydrophobicContact CD2-CG 4.18Å; L232-R234 HydrophobicContact CG-CG 4.22Å; R234-Y236 HydrophobicContact CB-CD2 4.46Å; R234-Y236 HydrophobicContact CB-CE2 3.6Å; R234-Y236 WeakPolarHBondContact CD-OH 3.48Å; R234-F286 WeakPolarHBondContact CA-O 3.47Å; R234-E287 HydrophobicContact CG-CB 3.92Å; R234-E287 IonicContact CZ-OE2 3.64Å; R234-E287 IonicContact NE-OE2 3.54Å; R234-E287 PolarHBondContact NE-OE2 3.49Å; R234-E287 IonicContact NH2-OE2 2.76Å; R234-E287 PolarHBondContact NH2-OE2 2.81Å; R234-E287 VanDerWaalsContact NH2-OE2 3.13Å
235L95.3Very high94.4Very high7 Ų741 Ų414%0.03722%0.22CC..EExtended strand (participates in β ladder)trans-109.1134.2178-53.8-170.5000109.8I223 L224 I225 V233 P284 L285 F286 F295 I297I223-L235 HydrophobicContact CG2-CB 3.72Å; I223-L235 HydrophobicContact CG2-CD1 4.38Å; I223-L235 HydrophobicContact CG2-CD2 4.08Å; I223-L235 HydrophobicContact CG2-CG 4.29Å; L224-L235 CarbonylContact O-C 3.46Å; L224-L235 WeakPolarHBondContact O-CA 3.49Å; I225-L235 HydrophobicContact CB-CD2 4Å; I225-L235 HydrophobicContact CG1-CD2 3.53Å; I225-L235 HydrophobicContact CG2-CD2 3.9Å; V233-L235 HydrophobicContact CG1-CD2 4.5Å; L235-P284 CarbonylContact O-C 3.46Å; L235-P284 WeakPolarHBondContact O-CA 3.46Å; L235-L285 PolarHBondContact O-N 3.18Å; L235-F286 HydrophobicContact CB-CB 4Å; L235-F286 HydrophobicContact CD1-CB 3.8Å; L235-F286 HydrophobicContact CD1-CD1 3.82Å; L235-F286 HydrophobicContact CD1-CG 4.12Å; L235-F286 HydrophobicContact CG-CB 3.98Å; L235-F286 HydrophobicContact CG-CD1 4.07Å; L235-F286 HydrophobicContact CG-CG 4.49Å; L235-F286 PolarHBondContact N-O 2.78Å; L235-F295 HydrophobicContact CD1-CE1 4.08Å; L235-F295 HydrophobicContact CD1-CZ 4.07Å; L235-F295 HydrophobicContact CD2-CE1 4.08Å; L235-I297 HydrophobicContact CD1-CD1 3.77Å
236Y96.4Very high94.4Very high1 Ų142.3 Ų42.30%0.00423%0.226CC..EExtended strand (participates in β ladder)trans-129.2146.2178-55.3-85.5000110.5F211 I223 L224 V226 Y228 R234 F238 P282 P284F211-Y236 HydrophobicContact CD1-CE2 4.43Å; F211-Y236 HydrophobicContact CE1-CD2 4.48Å; F211-Y236 AromaticContact CE1-CE2 3.85Å; F211-Y236 HydrophobicContact CE1-CE2 3.85Å; F211-Y236 AromaticContact CE1-CZ 3.89Å; I223-Y236 WeakPolarHBondContact CA-O 3.45Å; L224-Y236 HydrophobicContact CD2-CD2 4.43Å; L224-Y236 PolarHBondContact N-O 3.26Å; L224-Y236 PolarHBondContact O-N 3.39Å; V226-Y236 HydrophobicContact CB-CE2 4.05Å; V226-Y236 HydrophobicContact CG2-CD2 3.88Å; V226-Y236 HydrophobicContact CG2-CE2 3.7Å; Y228-Y236 PolarHBondContact OH-OH 2.89Å; R234-Y236 HydrophobicContact CB-CD2 4.46Å; R234-Y236 HydrophobicContact CB-CE2 3.6Å; R234-Y236 WeakPolarHBondContact CD-OH 3.48Å; Y236-F238 PolarHBondContact O-N 3.4Å; Y236-P282 HydrophobicContact CD1-CB 4.16Å; Y236-P282 HydrophobicContact CD1-CG 3.68Å; Y236-P282 HydrophobicContact CE1-CG 3.95Å; Y236-P282 VanDerWaalsContact CE1-O 3.24Å; Y236-P282 WeakPolarHBondContact CE1-O 3.42Å; Y236-P282 HydrophobicContact CG-CG 4.29Å; Y236-P284 HydrophobicContact CD1-CB 4.27Å; Y236-P284 HydrophobicContact CE1-CB 3.88Å
237S96.5Very high94.3Very high34 Ų3447.5 Ų47.524%0.23825%0.251CS..EExtended strand (participates in β ladder)trans-69.5115.3171.3174.20000109.2Q239 A240 I241S237-Q239 VanDerWaalsContact C-N 3.28Å; S237-Q239 PolarHBondContact O-N 2.84Å; S237-A240 PolarHBondContact O-N 2.9Å; S237-A240 PolarHBondContact OG-N 3.35Å; S237-I241 WeakPolarHBondContact O-CG1 3.28Å; S237-I241 PolarHBondContact O-N 3.3Å; S237-I241 VanDerWaalsContact O-N 3.12Å
238F96.1Very high94.2Very high15 Ų1550.5 Ų50.57%0.06626%0.264CS..Hα-helixtrans-66.3-36176.3-178-114.7000111.3V192 V201 L204 L219 G222 Y236 I241 I242V192-F238 HydrophobicContact CB-CE1 4.25Å; V192-F238 HydrophobicContact CB-CZ 4.05Å; V192-F238 HydrophobicContact CG1-CE1 4.09Å; V192-F238 HydrophobicContact CG1-CZ 4.39Å; V192-F238 HydrophobicContact CG2-CE1 4.05Å; V192-F238 HydrophobicContact CG2-CE2 4.24Å; V192-F238 HydrophobicContact CG2-CZ 3.56Å; V201-F238 HydrophobicContact CG1-CE1 4.02Å; L204-F238 HydrophobicContact CD2-CE2 4.37Å; L219-F238 HydrophobicContact CD1-CB 3.66Å; L219-F238 HydrophobicContact CD1-CD1 4.15Å; L219-F238 HydrophobicContact CD1-CD2 3.79Å; L219-F238 HydrophobicContact CD1-CG 3.59Å; L219-F238 HydrophobicContact CD2-CD1 4.23Å; L219-F238 HydrophobicContact CD2-CE1 4.28Å; L219-F238 HydrophobicContact CD2-CG 4.43Å; G222-F238 WeakPolarHBondContact O-CB 3.19Å; G222-F238 PolarHBondContact O-N 3.09Å; Y236-F238 PolarHBondContact O-N 3.4Å; F238-I241 WeakPolarHBondContact O-CB 3.34Å; F238-I241 PolarHBondContact O-N 3.25Å; F238-I242 HydrophobicContact CD1-CG1 4.21Å; F238-I242 HydrophobicContact CD2-CG1 4.42Å; F238-I242 HydrophobicContact CE1-CD1 4.2Å; F238-I242 HydrophobicContact CE1-CG1 3.8Å; F238-I242 HydrophobicContact CE2-CD1 4.07Å; F238-I242 HydrophobicContact CE2-CG1 4.03Å; F238-I242 HydrophobicContact CG-CG1 4.5Å; F238-I242 HydrophobicContact CZ-CD1 3.66Å; F238-I242 HydrophobicContact CZ-CG1 3.69Å; F238-I242 WeakPolarHBondContact O-CG1 3.42Å; F238-I242 PolarHBondContact O-N 3.28Å
239Q95Very high94.2Very high128 Ų12856.9 Ų56.960%0.59829%0.292SS*.Hα-helixtrans-59.1-49.3174.9180178.2-7.400111.5S237 I241 I242 E243S237-Q239 VanDerWaalsContact C-N 3.28Å; S237-Q239 PolarHBondContact O-N 2.84Å; Q239-I241 VanDerWaalsContact C-N 3.27Å; Q239-I241 PolarHBondContact O-N 2.74Å; Q239-I242 PolarHBondContact O-N 2.84Å; Q239-I242 VanDerWaalsContact O-N 3.14Å; Q239-E243 HydrophobicContact CG-CG 4.46Å; Q239-E243 VanDerWaalsContact CG-OE1 3.3Å; Q239-E243 WeakPolarHBondContact CG-OE1 3.38Å; Q239-E243 PolarHBondContact NE2-OE1 2.91Å; Q239-E243 WeakPolarHBondContact O-CG 3.11Å; Q239-E243 PolarHBondContact O-N 2.87Å
240A95.6Very high94.3Very high43 Ų4353.2 Ų53.236%0.35527%0.266SS..Hα-helixtrans-61.9-37.8178.600000111.7S237 E243 Q244S237-A240 PolarHBondContact O-N 2.9Å; S237-A240 PolarHBondContact OG-N 3.35Å; A240-E243 PolarHBondContact O-N 3.11Å; A240-Q244 VanDerWaalsContact O-CB 3.25Å; A240-Q244 WeakPolarHBondContact O-CB 3.47Å; A240-Q244 PolarHBondContact O-N 2.81Å
241I96.3Very high94.5Very high2 Ų253.7 Ų53.71%0.0126%0.263CS..Hα-helixtrans-61.3-45.6175-73168000111L204 L224 S237 F238 Q239 Q244 F245 V276 I278 P282L204-I241 HydrophobicContact CD1-CG2 4.25Å; L224-I241 HydrophobicContact CB-CD1 4.38Å; L224-I241 HydrophobicContact CD2-CD1 3.64Å; S237-I241 WeakPolarHBondContact O-CG1 3.28Å; S237-I241 PolarHBondContact O-N 3.3Å; S237-I241 VanDerWaalsContact O-N 3.12Å; F238-I241 WeakPolarHBondContact O-CB 3.34Å; F238-I241 PolarHBondContact O-N 3.25Å; Q239-I241 VanDerWaalsContact C-N 3.27Å; Q239-I241 PolarHBondContact O-N 2.74Å; I241-Q244 PolarHBondContact O-N 3.37Å; I241-F245 HydrophobicContact CB-CD2 4.47Å; I241-F245 HydrophobicContact CG2-CD2 4.22Å; I241-F245 WeakPolarHBondContact O-CB 3.46Å; I241-F245 WeakPolarHBondContact O-CD2 3.27Å; I241-F245 PolarHBondContact O-N 2.99Å; I241-V276 HydrophobicContact CG2-CG1 4.06Å; I241-I278 HydrophobicContact CD1-CD1 4.12Å; I241-I278 HydrophobicContact CG1-CD1 4.36Å; I241-I278 HydrophobicContact CG2-CD1 3.81Å; I241-I278 HydrophobicContact CG2-CG1 4Å; I241-P282 HydrophobicContact CD1-CG 4.29Å; I241-P282 HydrophobicContact CG1-CB 4.29Å; I241-P282 HydrophobicContact CG1-CG 4.21Å
242I95.6Very high94.6Very high28 Ų2855.6 Ų55.614%0.14427%0.272CS..Hα-helixtrans-63.2-47.5178.7-71.2-68.4000110.9F238 Q239 Q244 M246 V276F238-I242 HydrophobicContact CD1-CG1 4.21Å; F238-I242 HydrophobicContact CD2-CG1 4.42Å; F238-I242 HydrophobicContact CE1-CD1 4.2Å; F238-I242 HydrophobicContact CE1-CG1 3.8Å; F238-I242 HydrophobicContact CE2-CD1 4.07Å; F238-I242 HydrophobicContact CE2-CG1 4.03Å; F238-I242 HydrophobicContact CG-CG1 4.5Å; F238-I242 HydrophobicContact CZ-CD1 3.66Å; F238-I242 HydrophobicContact CZ-CG1 3.69Å; F238-I242 WeakPolarHBondContact O-CG1 3.42Å; F238-I242 PolarHBondContact O-N 3.28Å; Q239-I242 PolarHBondContact O-N 2.84Å; Q239-I242 VanDerWaalsContact O-N 3.14Å; I242-Q244 VanDerWaalsContact C-N 3.29Å; I242-Q244 PolarHBondContact O-N 3.22Å; I242-M246 HydrophobicContact CD1-CE 3.96Å; I242-M246 HydrophobicContact CG2-CE 3.62Å; I242-M246 WeakPolarHBondContact O-CB 3.3Å; I242-M246 PolarHBondContact O-N 3.02Å; I242-V276 HydrophobicContact CD1-CG1 4.23Å; I242-V276 HydrophobicContact CD1-CG2 3.59Å
243E94.8Very high94.6Very high139 Ų13956.7 Ų56.765%0.6529%0.29SS*.Hα-helixtrans-62-36.3179.9-71.6171.4-176.300112.5Q239 A240Q239-E243 HydrophobicContact CG-CG 4.46Å; Q239-E243 VanDerWaalsContact CG-OE1 3.3Å; Q239-E243 WeakPolarHBondContact CG-OE1 3.38Å; Q239-E243 PolarHBondContact NE2-OE1 2.91Å; Q239-E243 WeakPolarHBondContact O-CG 3.11Å; Q239-E243 PolarHBondContact O-N 2.87Å; A240-E243 PolarHBondContact O-N 3.11Å
244Q94.9Very high94.5Very high119 Ų11959.7 Ų59.756%0.55631%0.311SS*.Hα-helixtrans-88.5-37.9-175.9-174.2175.6-2.200114.1A240 I241 I242A240-Q244 VanDerWaalsContact O-CB 3.25Å; A240-Q244 WeakPolarHBondContact O-CB 3.47Å; A240-Q244 PolarHBondContact O-N 2.81Å; I241-Q244 PolarHBondContact O-N 3.37Å; I242-Q244 VanDerWaalsContact C-N 3.29Å; I242-Q244 PolarHBondContact O-N 3.22Å
245F95.8Very high94.4Very high14 Ų1460.9 Ų60.96%0.06133%0.334CS..Hα-helixtrans-116.63.6-165.7-60.9-72.5000114.7I241 Q247 V276 K277 I278 D280 P282I241-F245 HydrophobicContact CB-CD2 4.47Å; I241-F245 HydrophobicContact CG2-CD2 4.22Å; I241-F245 WeakPolarHBondContact O-CB 3.46Å; I241-F245 WeakPolarHBondContact O-CD2 3.27Å; I241-F245 PolarHBondContact O-N 2.99Å; F245-Q247 PolarHBondContact O-N 3.15Å; F245-V276 HydrophobicContact CB-CG1 4.25Å; F245-K277 PolarHBondContact O-N 2.81Å; F245-K277 VanDerWaalsContact O-N 3.16Å; F245-I278 HydrophobicContact CB-CG1 4.43Å; F245-I278 HydrophobicContact CD2-CG1 4.09Å; F245-I278 HydrophobicContact CD2-CG2 4.4Å; F245-I278 HydrophobicContact CE1-CG2 4.34Å; F245-I278 HydrophobicContact CE2-CG2 4.16Å; F245-I278 HydrophobicContact CG-CB 4.48Å; F245-I278 HydrophobicContact CG-CG1 4.22Å; F245-I278 HydrophobicContact CZ-CG2 4.11Å; F245-D280 WeakPolarHBondContact CZ-O 3.46Å; F245-P282 HydrophobicContact CE2-CB 4.24Å
246M95.2Very high94.1Very high59 Ų5960.8 Ų60.829%0.29133%0.334SS..BIsolated β-bridgetrans-69.7117.3173-177.8171.1-76.900110.4V201 I242 K249 V276V201-M246 WeakPolarHBondContact O-CE 3.4Å; I242-M246 HydrophobicContact CD1-CE 3.96Å; I242-M246 HydrophobicContact CG2-CE 3.62Å; I242-M246 WeakPolarHBondContact O-CB 3.3Å; I242-M246 PolarHBondContact O-N 3.02Å; M246-K249 HydrophobicContact SD-CB 4.36Å; M246-V276 HydrophobicContact CE-CG2 4.23Å
247Q93.1Very high93.5Very high109 Ų10964.9 Ų64.951%0.50936%0.363SS..  trans-77.4-39.1179.9-52-162.6-62.600111.6F245 N275 K277F245-Q247 PolarHBondContact O-N 3.15Å; Q247-N275 PolarHBondContact N-O 2.71Å; Q247-K277 HydrophobicContact CG-CB 4.41Å; Q247-K277 HydrophobicContact CG-CG 4.48Å
248Q91.6Very high92.5Very high93 Ų9365.6 Ų65.644%0.43536%0.363SS..  trans-156.1139.7-178.7-179.6176.45.800109.6L250 N275Q248-L250 HydrophobicContact CG-CD2 4.19Å; Q248-N275 WeakPolarHBondContact O-CB 3.28Å; Q248-N275 PolarHBondContact O-ND2 3.48Å
249K92.4Very high91Very high148 Ų14868.8 Ų68.864%0.64340%0.4SS*.  trans-76.6130.6169.1-171.9178.1176.3-173.40109.8M246M246-K249 HydrophobicContact SD-CB 4.36Å
250L93.4Very high90Very high7 Ų766.8 Ų66.84%0.03741%0.413CS..  trans-119.9130.7-179.7-63.1178.8000109.3L200 Q248 C256 V265 I272 P273 N275L200-L250 HydrophobicContact CD2-CB 3.85Å; L200-L250 HydrophobicContact CD2-CD1 4.48Å; Q248-L250 HydrophobicContact CG-CD2 4.19Å; L250-C256 HydrophobicContact CD2-CB 4.39Å; L250-V265 HydrophobicContact CB-CG1 4.38Å; L250-V265 HydrophobicContact CB-CG2 4.5Å; L250-V265 HydrophobicContact CD2-CG2 4.3Å; L250-I272 HydrophobicContact CD1-CG2 4.37Å; L250-P273 HydrophobicContact CD1-CG 3.72Å; L250-N275 HydrophobicContact CD1-CB 3.65Å; L250-N275 HydrophobicContact CG-CB 4.06Å
251D93.6Very high89.2Confident81 Ų8168.8 Ų68.843%0.43342%0.422SS..  trans-113.3137.5176.7-61.2-51.5000109.1C254 V265D251-C254 HydrophobicContact CB-CB 4.4Å; D251-C254 WeakPolarHBondContact O-CB 3.35Å; D251-C254 PolarHBondContact O-N 3Å; D251-V265 WeakPolarHBondContact O-CB 3.24Å
252L92.9Very high88.8Confident45 Ų4573.8 Ų73.824%0.23645%0.452CS..THydrogen-bonded Turntrans-61.2141.1-179.6-64.9172.9000110.4I144 F193 F198 L200 C254 V265 I272I144-L252 HydrophobicContact CD1-CD1 3.73Å; I144-L252 HydrophobicContact CG2-CD2 4.06Å; F193-L252 HydrophobicContact CE1-CD2 4.43Å; F198-L252 HydrophobicContact CD1-CD1 3.97Å; L200-L252 HydrophobicContact CB-CD2 4.46Å; L200-L252 HydrophobicContact CB-CG 4.37Å; L252-C254 PolarHBondContact O-N 3.41Å; L252-V265 HydrophobicContact CD2-CG1 4.27Å; L252-I272 HydrophobicContact CD2-CD1 3.91Å; L252-I272 HydrophobicContact CD2-CG1 4.43Å
253G92.3Very high88.6Confident53 Ų5373.3 Ų73.355%0.54646%0.455SS..THydrogen-bonded Turntrans76-4.7-178.900000115.1T264 V265G253-T264 VanDerWaalsContact O-CG2 3.27Å; G253-T264 WeakPolarHBondContact O-CG2 3.38Å; G253-V265 PolarHBondContact N-O 3.45Å
254C92.9Very high88.6Confident63 Ų6368.5 Ų68.543%0.42644%0.435SS..SBendtrans-87.7150.9176.7-650000112D251 L252 T264 V265D251-C254 HydrophobicContact CB-CB 4.4Å; D251-C254 WeakPolarHBondContact O-CB 3.35Å; D251-C254 PolarHBondContact O-N 3Å; L252-C254 PolarHBondContact O-N 3.41Å; C254-T264 WeakPolarHBondContact O-CA 3.28Å; C254-V265 PolarHBondContact O-N 3.17Å
255A92.4Very high88.6Confident90 Ų9063 Ų6374%0.74441%0.409SS*.EExtended strand (participates in β ladder)trans-70.6135.1173.400000110.7
256C89.8Confident88.5Confident6 Ų662.7 Ų62.74%0.04141%0.41CS..EExtended strand (participates in β ladder)trans-134.1140177.6178.30000109.8L250 T262 G263 V265 F270L250-C256 HydrophobicContact CD2-CB 4.39Å; C256-T262 WeakPolarHBondContact O-CA 3.09Å; C256-G263 PolarHBondContact N-O 3.17Å; C256-G263 PolarHBondContact O-N 3.1Å; C256-V265 HydrophobicContact CB-CG2 3.57Å; C256-F270 HydrophobicContact CB-CE1 3.96Å; C256-F270 HydrophobicContact CB-CZ 4.13Å
257S84.1Confident88.4Confident87 Ų8765 Ų6561%0.60842%0.42SS*.EExtended strand (participates in β ladder)trans-116.6110169.853.60000109.2T261S257-T261 WeakPolarHBondContact CA-O 3.43Å
258Q74.8Confident88.4Confident48 Ų4862.4 Ų62.422%0.22442%0.417CS..EExtended strand (participates in β ladder)trans-137.7129179.1-162.2172.3-5.300110.4G260 T261 C274Q258-G260 VanDerWaalsContact C-N 3.29Å; Q258-G260 PolarHBondContact O-N 3.05Å; Q258-T261 PolarHBondContact N-O 3.32Å; Q258-T261 PolarHBondContact O-N 3.26Å; Q258-C274 PolarHBondContact NE2-O 3.45Å
259G65.6Low88.4Confident83 Ų8363.5 Ų63.586%0.85643%0.432SS*.THydrogen-bonded Turntrans64.728.2178.700000114.7T261G259-T261 VanDerWaalsContact C-N 3.29Å; G259-T261 PolarHBondContact O-N 2.8Å
260G72.9Confident88.3Confident85 Ų8558.3 Ų58.388%0.87641%0.41SS*.THydrogen-bonded Turntrans83.4-2.9-179.900000115Q258Q258-G260 VanDerWaalsContact C-N 3.29Å; Q258-G260 PolarHBondContact O-N 3.05Å
261T79.4Confident88.3Confident86 Ų8658 Ų5853%0.52841%0.408SS..EExtended strand (participates in β ladder)trans-103.2135174.4-45.20000109.2S257 Q258 G259 F270S257-T261 WeakPolarHBondContact CA-O 3.43Å; Q258-T261 PolarHBondContact N-O 3.32Å; Q258-T261 PolarHBondContact O-N 3.26Å; G259-T261 VanDerWaalsContact C-N 3.29Å; G259-T261 PolarHBondContact O-N 2.8Å; T261-F270 HydrophobicContact CG2-CD2 4.06Å; T261-F270 HydrophobicContact CG2-CE2 4.13Å
262T87.6Confident88.4Confident106 Ų10654.2 Ų54.265%0.6539%0.387SS*.EExtended strand (participates in β ladder)trans-110137.5173.8-53.30000109.2C256C256-T262 WeakPolarHBondContact O-CA 3.09Å
263G91.3Very high88.4Confident19 Ų1953 Ų5320%0.19638%0.382CS..EExtended strand (participates in β ladder)trans-171.1-178.6175.800000112.1C256C256-G263 PolarHBondContact N-O 3.17Å; C256-G263 PolarHBondContact O-N 3.1Å
264T94.4Very high88.4Confident38 Ų3851 Ų5123%0.23336%0.36CS..EExtended strand (participates in β ladder)trans-92.9129.5179.1-42.80000110.1G253 C254 G266 E267 F270G253-T264 VanDerWaalsContact O-CG2 3.27Å; G253-T264 WeakPolarHBondContact O-CG2 3.38Å; C254-T264 WeakPolarHBondContact O-CA 3.28Å; T264-G266 PolarHBondContact O-N 2.64Å; T264-E267 WeakPolarHBondContact CB-OE2 3.29Å; T264-E267 HydrophobicContact CG2-CG 3.9Å; T264-E267 PolarHBondContact O-N 3.23Å; T264-E267 VanDerWaalsContact O-N 3.15Å; T264-E267 PolarHBondContact OG1-OE2 2.57Å; T264-F270 WeakPolarHBondContact O-CD1 2.98Å
265V94.4Very high88.5Confident3 Ų348.1 Ų48.12%0.01834%0.341CS..THydrogen-bonded Turntrans-62.3120.6179.2-179.70000109.9L250 D251 L252 G253 C254 C256 I272L250-V265 HydrophobicContact CB-CG1 4.38Å; L250-V265 HydrophobicContact CB-CG2 4.5Å; L250-V265 HydrophobicContact CD2-CG2 4.3Å; D251-V265 WeakPolarHBondContact O-CB 3.24Å; L252-V265 HydrophobicContact CD2-CG1 4.27Å; G253-V265 PolarHBondContact N-O 3.45Å; C254-V265 PolarHBondContact O-N 3.17Å; C256-V265 HydrophobicContact CB-CG2 3.57Å; V265-I272 HydrophobicContact CG1-CB 4.4Å; V265-I272 HydrophobicContact CG1-CG1 4.02Å; V265-I272 HydrophobicContact CG1-CG2 4.1Å
266G93.4Very high88.7Confident7 Ų743.9 Ų43.97%0.07231%0.305CS..THydrogen-bonded Turntrans90.90.4179.500000115.2Y145 T264 G271Y145-G266 WeakPolarHBondContact CB-O 3.35Å; Y145-G266 PolarHBondContact N-O 2.84Å; Y145-G266 WeakPolarHBondContact O-CA 3.46Å; T264-G266 PolarHBondContact O-N 2.64Å; G266-G271 PolarHBondContact N-O 3.1Å
267E94.6Very high88.9Confident109 Ų10946.8 Ų46.851%0.50932%0.317SS..SBendtrans-102.8142175.7-64.1-171.2155.700112.1T264 F270 G271T264-E267 WeakPolarHBondContact CB-OE2 3.29Å; T264-E267 HydrophobicContact CG2-CG 3.9Å; T264-E267 PolarHBondContact O-N 3.23Å; T264-E267 VanDerWaalsContact O-N 3.15Å; T264-E267 PolarHBondContact OG1-OE2 2.57Å; E267-F270 PolarHBondContact O-N 3.35Å; E267-G271 PolarHBondContact O-N 2.9Å
268A92.1Very high89.3Confident53 Ų5342.9 Ų42.944%0.43829%0.289SS..THydrogen-bonded Turntrans-73.1140.4172.500000110.8W129 Y145W129-A268 HydrophobicContact CH2-CB 3.87Å; W129-A268 HydrophobicContact CZ2-CB 3.6Å; Y145-A268 HydrophobicContact CD1-CB 3.85Å; Y145-A268 HydrophobicContact CD2-CB 4.35Å; Y145-A268 HydrophobicContact CE1-CB 4.35Å; Y145-A268 HydrophobicContact CG-CB 3.86Å
269P91.3Very high90Very high117 Ų11745 Ų4576%0.7631%0.306SS*.THydrogen-bonded Turncis-91.90.75.936.2-36.1000114.8
270F91.8Very high91.2Very high39 Ų3945.9 Ų45.917%0.17129%0.291CS..THydrogen-bonded Turntrans-70.1-49.5-172.3-172.9-105.2000112.6C256 T261 T264 E267 P273C256-F270 HydrophobicContact CB-CE1 3.96Å; C256-F270 HydrophobicContact CB-CZ 4.13Å; T261-F270 HydrophobicContact CG2-CD2 4.06Å; T261-F270 HydrophobicContact CG2-CE2 4.13Å; T264-F270 WeakPolarHBondContact O-CD1 2.98Å; E267-F270 PolarHBondContact O-N 3.35Å; F270-P273 HydrophobicContact CE1-CG 4.3Å; F270-P273 HydrophobicContact CZ-CG 4.47Å
271G93.3Very high91.8Very high0 Ų045.3 Ų45.30%027%0.273CS..  trans71.5-152.1-178.500000112.8Y145 G266 E267Y145-G271 VanDerWaalsContact O-CA 3.29Å; Y145-G271 WeakPolarHBondContact O-CA 3.48Å; G266-G271 PolarHBondContact N-O 3.1Å; E267-G271 PolarHBondContact O-N 2.9Å
272I94.8Very high92.4Very high1 Ų141.5 Ų41.51%0.00525%0.25CS..  trans-112.4116.5178.6-52.7173.9000107.5I144 L146 Y149 F193 L200 I203 L250 L252 V265I144-I272 HydrophobicContact CG2-CD1 3.93Å; L146-I272 HydrophobicContact CD2-CD1 4.21Å; L146-I272 WeakPolarHBondContact O-CA 3.35Å; L146-I272 WeakPolarHBondContact O-CB 3.42Å; L146-I272 PolarHBondContact O-N 3.06Å; Y149-I272 PolarHBondContact OH-O 2.92Å; F193-I272 HydrophobicContact CE1-CD1 3.84Å; F193-I272 HydrophobicContact CZ-CD1 3.66Å; L200-I272 HydrophobicContact CD1-CD1 4.45Å; L200-I272 HydrophobicContact CD1-CG2 4.36Å; L200-I272 HydrophobicContact CD2-CG2 3.41Å; L200-I272 VanDerWaalsContact CD2-CG2 3.41Å; I203-I272 HydrophobicContact CD1-CB 3.58Å; I203-I272 HydrophobicContact CD1-CD1 4.49Å; I203-I272 HydrophobicContact CD1-CG2 3.34Å; I203-I272 HydrophobicContact CG1-CG2 3.89Å; L250-I272 HydrophobicContact CD1-CG2 4.37Å; L252-I272 HydrophobicContact CD2-CD1 3.91Å; L252-I272 HydrophobicContact CD2-CG1 4.43Å; V265-I272 HydrophobicContact CG1-CB 4.4Å; V265-I272 HydrophobicContact CG1-CG1 4.02Å; V265-I272 HydrophobicContact CG1-CG2 4.1Å
273P93.3Very high92.6Very high19 Ų1941.3 Ų41.312%0.12325%0.251CS..  trans-76.1153.3177.631.3-34.3000111.8L250 F270 N275L250-P273 HydrophobicContact CD1-CG 3.72Å; F270-P273 HydrophobicContact CE1-CG 4.3Å; F270-P273 HydrophobicContact CZ-CG 4.47Å; P273-N275 PolarHBondContact O-N 3.14Å
274C93.3Very high92.8Very high13 Ų1343.3 Ų43.39%0.08826%0.26CS..  trans-65.5117.8175.6-176.20000110.2Y189 I203 Q258Y189-C274 HydrophobicContact CE1-CB 4.32Å; I203-C274 HydrophobicContact CG2-CB 4.48Å; I203-C274 PolarHBondContact O-SG 2.96Å; Q258-C274 PolarHBondContact NE2-O 3.45Å
275N94.1Very high92.8Very high2 Ų246.8 Ų46.81%0.01128%0.277CS..  trans-117.4-1.9-174.671-36.3000114.3I203 Q247 Q248 L250 P273I203-N275 PolarHBondContact N-OD1 3.16Å; I203-N275 PolarHBondContact O-N 3.07Å; Q247-N275 PolarHBondContact N-O 2.71Å; Q248-N275 WeakPolarHBondContact O-CB 3.28Å; Q248-N275 PolarHBondContact O-ND2 3.48Å; L250-N275 HydrophobicContact CD1-CB 3.65Å; L250-N275 HydrophobicContact CG-CB 4.06Å; P273-N275 PolarHBondContact O-N 3.14Å
276V95.7Very high92.8Very high0 Ų047.9 Ų47.90%028%0.281CS..EExtended strand (participates in β ladder)trans-121.9111.8175-173.50000108.4I203 L204 E205 I241 I242 F245 M246I203-V276 WeakPolarHBondContact O-CB 3.08Å; I203-V276 PolarHBondContact O-N 3.39Å; L204-V276 HydrophobicContact CB-CB 4.33Å; L204-V276 HydrophobicContact CB-CG1 4.45Å; L204-V276 HydrophobicContact CD1-CB 4.29Å; L204-V276 HydrophobicContact CD1-CG1 3.77Å; E205-V276 PolarHBondContact N-O 2.63Å; I241-V276 HydrophobicContact CG2-CG1 4.06Å; I242-V276 HydrophobicContact CD1-CG1 4.23Å; I242-V276 HydrophobicContact CD1-CG2 3.59Å; F245-V276 HydrophobicContact CB-CG1 4.25Å; M246-V276 HydrophobicContact CE-CG2 4.23Å
277K94.1Very high92.8Very high67 Ų6752.4 Ų52.429%0.29130%0.301SS..EExtended strand (participates in β ladder)trans-125.6107.5-177-66.1-169.2-173.31560110.6E205 F245 Q247 T279E205-K277 HydrophobicContact CG-CG 4.22Å; F245-K277 PolarHBondContact O-N 2.81Å; F245-K277 VanDerWaalsContact O-N 3.16Å; Q247-K277 HydrophobicContact CG-CB 4.41Å; Q247-K277 HydrophobicContact CG-CG 4.48Å; K277-T279 PolarHBondContact O-N 2.98Å
278I93.6Very high92.8Very high5 Ų547.9 Ų47.93%0.02628%0.28CS..  trans-73.9112.5176.3-57.5178000107.8L204 V210 F211 I241 F245 D280 P282L204-I278 HydrophobicContact CD1-CD1 3.48Å; L204-I278 VanDerWaalsContact CD1-CD1 3.48Å; L204-I278 HydrophobicContact CD1-CG1 3.58Å; L204-I278 HydrophobicContact CD2-CD1 4.35Å; L204-I278 HydrophobicContact CG-CD1 4.49Å; V210-I278 HydrophobicContact CB-CG2 4.5Å; V210-I278 HydrophobicContact CG1-CG2 3.84Å; V210-I278 HydrophobicContact CG2-CG2 4.39Å; V210-I278 WeakPolarHBondContact CG2-O 3.25Å; F211-I278 HydrophobicContact CE2-CB 4.18Å; F211-I278 HydrophobicContact CE2-CD1 3.69Å; F211-I278 HydrophobicContact CE2-CG2 4.01Å; F211-I278 HydrophobicContact CZ-CD1 3.63Å; F211-I278 HydrophobicContact CZ-CG2 4.13Å; I241-I278 HydrophobicContact CD1-CD1 4.12Å; I241-I278 HydrophobicContact CG1-CD1 4.36Å; I241-I278 HydrophobicContact CG2-CD1 3.81Å; I241-I278 HydrophobicContact CG2-CG1 4Å; F245-I278 HydrophobicContact CB-CG1 4.43Å; F245-I278 HydrophobicContact CD2-CG1 4.09Å; F245-I278 HydrophobicContact CD2-CG2 4.4Å; F245-I278 HydrophobicContact CE1-CG2 4.34Å; F245-I278 HydrophobicContact CE2-CG2 4.16Å; F245-I278 HydrophobicContact CG-CB 4.48Å; F245-I278 HydrophobicContact CG-CG1 4.22Å; F245-I278 HydrophobicContact CZ-CG2 4.11Å; I278-D280 WeakPolarHBondContact CG2-O 3.44Å; I278-P282 HydrophobicContact CG2-CG 4.49Å
279T90.1Very high92.8Very high93 Ų9348.4 Ų48.457%0.57128%0.281SS*.  trans-92.3-30.4178.852.30000112.4K277K277-T279 PolarHBondContact O-N 2.98Å
280D89.8Confident92.8Very high102 Ų10242.8 Ų42.855%0.54525%0.245SC..SBendtrans-131.9150.8-174.6-55.1-70.8000109.4F245 I278 P282F245-D280 WeakPolarHBondContact CZ-O 3.46Å; I278-D280 WeakPolarHBondContact CG2-O 3.44Å; D280-P282 WeakPolarHBondContact O-CD 3.35Å; D280-P282 VanDerWaalsContact O-N 3.17Å
281S86.4Confident92.5Very high72 Ų7241.9 Ų41.950%0.50324%0.241SC..  trans-66.8115.1-176.6-160.20000110.5
282P91Very high92Very high7 Ų748.5 Ų48.55%0.04527%0.272CS..PPolyproline II helixtrans-65.5151.2176.125-30.4000110.1F211 Y236 I241 F245 I278 D280F211-P282 HydrophobicContact CZ-CG 4.28Å; Y236-P282 HydrophobicContact CD1-CB 4.16Å; Y236-P282 HydrophobicContact CD1-CG 3.68Å; Y236-P282 HydrophobicContact CE1-CG 3.95Å; Y236-P282 VanDerWaalsContact CE1-O 3.24Å; Y236-P282 WeakPolarHBondContact CE1-O 3.42Å; Y236-P282 HydrophobicContact CG-CG 4.29Å; I241-P282 HydrophobicContact CD1-CG 4.29Å; I241-P282 HydrophobicContact CG1-CB 4.29Å; I241-P282 HydrophobicContact CG1-CG 4.21Å; F245-P282 HydrophobicContact CE2-CB 4.24Å; I278-P282 HydrophobicContact CG2-CG 4.49Å; D280-P282 WeakPolarHBondContact O-CD 3.35Å; D280-P282 VanDerWaalsContact O-N 3.17Å
283P92Very high91.3Very high102 Ų10249.9 Ų49.966%0.66228%0.279SS*.PPolyproline II helixtrans-64127.7175.526.3-32.7000109.9
284P94.7Very high90.7Very high60 Ų6051 Ų5139%0.3929%0.291SS..PPolyproline II helixtrans-69.7141.2175.629.1-33000110.2L235 Y236 F286L235-P284 CarbonylContact O-C 3.46Å; L235-P284 WeakPolarHBondContact O-CA 3.46Å; Y236-P284 HydrophobicContact CD1-CB 4.27Å; Y236-P284 HydrophobicContact CE1-CB 3.88Å; P284-F286 VanDerWaalsContact C-N 3.34Å
285L94.5Very high90.4Very high111 Ų11152.1 Ų52.158%0.58129%0.294SS*.SBendtrans-73.5-32.9168.4-63.2177.5000111.2L235L235-L285 PolarHBondContact O-N 3.18Å
286F94.5Very high90.2Very high26 Ų2655.6 Ų55.611%0.11431%0.31CS..EExtended strand (participates in β ladder)trans-159.3146.5-174-176.1-96.5000109.9R234 L235 P284 V288 F295 Y304 L322 N325R234-F286 WeakPolarHBondContact CA-O 3.47Å; L235-F286 HydrophobicContact CB-CB 4Å; L235-F286 HydrophobicContact CD1-CB 3.8Å; L235-F286 HydrophobicContact CD1-CD1 3.82Å; L235-F286 HydrophobicContact CD1-CG 4.12Å; L235-F286 HydrophobicContact CG-CB 3.98Å; L235-F286 HydrophobicContact CG-CD1 4.07Å; L235-F286 HydrophobicContact CG-CG 4.49Å; L235-F286 PolarHBondContact N-O 2.78Å; P284-F286 VanDerWaalsContact C-N 3.34Å; F286-V288 HydrophobicContact CD1-CG1 4.49Å; F286-V288 HydrophobicContact CE1-CB 3.66Å; F286-V288 HydrophobicContact CE1-CG1 3.69Å; F286-V288 HydrophobicContact CZ-CB 4.13Å; F286-F295 HydrophobicContact CD1-CZ 4.23Å; F286-F295 AromaticContact CE1-CE2 3.79Å; F286-F295 HydrophobicContact CE1-CE2 3.79Å; F286-F295 AromaticContact CE1-CZ 3.92Å; F286-F295 HydrophobicContact CE1-CZ 3.92Å; F286-Y304 HydrophobicContact CE2-CD1 4.38Å; F286-Y304 HydrophobicContact CE2-CE1 4.06Å; F286-Y304 AromaticContact CZ-CD1 3.82Å; F286-Y304 HydrophobicContact CZ-CD1 3.82Å; F286-Y304 AromaticContact CZ-CE1 3.56Å; F286-Y304 HydrophobicContact CZ-CE1 3.56Å; F286-Y304 HydrophobicContact CZ-CE2 4.41Å; F286-Y304 HydrophobicContact CZ-CG 4.34Å; F286-Y304 AromaticContact CZ-CZ 3.88Å; F286-L322 HydrophobicContact CD2-CD1 4.03Å; F286-L322 HydrophobicContact CE2-CD1 3.78Å; F286-L322 HydrophobicContact CZ-CD1 4.19Å; F286-N325 WeakPolarHBondContact CE2-OD1 3.35Å
287E94.5Very high90Very high102 Ų10258.7 Ų58.748%0.47733%0.326SS..EExtended strand (participates in β ladder)trans-142.2141171.865.9175.1-163.800111.8L232 V233 R234L232-E287 HydrophobicContact CD1-CB 4.49Å; V233-E287 WeakPolarHBondContact O-CA 3.49Å; R234-E287 HydrophobicContact CG-CB 3.92Å; R234-E287 IonicContact CZ-OE2 3.64Å; R234-E287 IonicContact NE-OE2 3.54Å; R234-E287 PolarHBondContact NE-OE2 3.49Å; R234-E287 IonicContact NH2-OE2 2.76Å; R234-E287 PolarHBondContact NH2-OE2 2.81Å; R234-E287 VanDerWaalsContact NH2-OE2 3.13Å
288V94.4Very high89.7Confident14 Ų1456 Ų569%0.08532%0.317CS..EExtended strand (participates in β ladder)trans-149.9146.4178.569.80000110.9V233 F286 F295 Y304 I306V233-V288 HydrophobicContact CB-CG1 4.18Å; V233-V288 PolarHBondContact N-O 3.4Å; V233-V288 PolarHBondContact O-N 3.04Å; F286-V288 HydrophobicContact CD1-CG1 4.49Å; F286-V288 HydrophobicContact CE1-CB 3.66Å; F286-V288 HydrophobicContact CE1-CG1 3.69Å; F286-V288 HydrophobicContact CZ-CB 4.13Å; V288-F295 HydrophobicContact CG1-CD2 3.71Å; V288-F295 HydrophobicContact CG1-CE2 3.78Å; V288-Y304 HydrophobicContact CG2-CE2 3.92Å; V288-I306 HydrophobicContact CG1-CG2 4.14Å; V288-I306 HydrophobicContact CG2-CD1 3.75Å; V288-I306 HydrophobicContact CG2-CG2 4.02Å
289S92.5Very high89.3Confident64 Ų6456.6 Ų56.645%0.44832%0.324SS..EExtended strand (participates in β ladder)trans-96122.3172.7-67.40000110.6G231G231-S289 CarbonylContact O-C 3.59Å; G231-S289 WeakPolarHBondContact O-CA 3.49Å
290S90.1Very high89Confident0 Ų058.4 Ų58.40%033%0.326CS..EExtended strand (participates in β ladder)trans-133.6140177.6-168.80000112G231 E292 N293 A294 T307G231-S290 CarbonylContact C-O 3.58Å; G231-S290 VanDerWaalsContact CA-O 3.24Å; G231-S290 WeakPolarHBondContact CA-O 3.48Å; G231-S290 PolarHBondContact O-N 3.42Å; S290-E292 PolarHBondContact O-N 3.11Å; S290-N293 PolarHBondContact O-N 3.34Å; S290-A294 WeakPolarHBondContact CB-O 3.35Å; S290-A294 PolarHBondContact OG-O 2.86Å; S290-T307 CarbonylContact C-O 3.53Å; S290-T307 VanDerWaalsContact CA-O 3.26Å; S290-T307 WeakPolarHBondContact CA-O 3.15Å; S290-T307 PolarHBondContact OG-N 3.46Å; S290-T307 PolarHBondContact OG-O 2.74Å; S290-T307 VanDerWaalsContact OG-O 3.06Å
291L86.4Confident88.9Confident19 Ų1955.5 Ų55.510%0.09931%0.313CS..EExtended strand (participates in β ladder)trans-63.1135.6172.9-17365.5000109.4N293 A294 T307 P308 K311 K314L291-N293 PolarHBondContact O-N 2.97Å; L291-A294 PolarHBondContact O-N 3.35Å; L291-A294 VanDerWaalsContact O-N 3.09Å; L291-T307 HydrophobicContact CB-CG2 3.84Å; L291-T307 HydrophobicContact CD2-CG2 3.97Å; L291-T307 HydrophobicContact CG-CG2 4.5Å; L291-T307 PolarHBondContact N-O 2.91Å; L291-P308 WeakPolarHBondContact CB-O 3.37Å; L291-K311 HydrophobicContact CD1-CG 4.49Å; L291-K314 HydrophobicContact CD2-CB 4.09Å; L291-K314 HydrophobicContact CD2-CG 4.41Å
292E82.4Confident89Confident140 Ų14060.5 Ų60.565%0.65432%0.321SS*.EExtended strand (participates in β ladder)trans55.719.1179.3-65.5171.6-16500113.8S290 A294 K314S290-E292 PolarHBondContact O-N 3.11Å; E292-A294 PolarHBondContact O-N 3.42Å; E292-K314 IonicContact OE1-NZ 2.57Å
293N80.3Confident89.2Confident29 Ų2960.3 Ų60.316%0.15532%0.319CS..EExtended strand (participates in β ladder)trans57.124.8-174.8-52.9-51000113.9T215 M227 Y228 G231 V233 S290 L291 F295T215-N293 PolarHBondContact OG1-ND2 2.82Å; M227-N293 HydrophobicContact CB-CB 4.02Å; M227-N293 HydrophobicContact CG-CB 3.85Å; M227-N293 HydrophobicContact SD-CB 3.82Å; Y228-N293 PolarHBondContact O-OD1 3.27Å; G231-N293 WeakPolarHBondContact CA-OD1 3.2Å; V233-N293 HydrophobicContact CG2-CB 4.12Å; S290-N293 PolarHBondContact O-N 3.34Å; L291-N293 PolarHBondContact O-N 2.97Å; N293-F295 PolarHBondContact O-N 3Å
294A80.6Confident89.3Confident44 Ų4455.9 Ų55.936%0.36429%0.289SS..EExtended strand (participates in β ladder)trans-67.3104176.300000109.9S290 L291 E292S290-A294 WeakPolarHBondContact CB-O 3.35Å; S290-A294 PolarHBondContact OG-O 2.86Å; L291-A294 PolarHBondContact O-N 3.35Å; L291-A294 VanDerWaalsContact O-N 3.09Å; E292-A294 PolarHBondContact O-N 3.42Å
295F87.8Confident89.2Confident35 Ų3553.1 Ų53.115%0.15427%0.272CS..EExtended strand (participates in β ladder)trans-141.9130.8-175.5175.2-107000110.7V233 L235 F286 V288 N293 I297 Y304 I306V233-F295 HydrophobicContact CG1-CB 4.41Å; V233-F295 HydrophobicContact CG1-CD1 4.09Å; V233-F295 HydrophobicContact CG1-CG 4.24Å; V233-F295 HydrophobicContact CG2-CB 4.33Å; L235-F295 HydrophobicContact CD1-CE1 4.08Å; L235-F295 HydrophobicContact CD1-CZ 4.07Å; L235-F295 HydrophobicContact CD2-CE1 4.08Å; F286-F295 HydrophobicContact CD1-CZ 4.23Å; F286-F295 AromaticContact CE1-CE2 3.79Å; F286-F295 HydrophobicContact CE1-CE2 3.79Å; F286-F295 AromaticContact CE1-CZ 3.92Å; F286-F295 HydrophobicContact CE1-CZ 3.92Å; V288-F295 HydrophobicContact CG1-CD2 3.71Å; V288-F295 HydrophobicContact CG1-CE2 3.78Å; N293-F295 PolarHBondContact O-N 3Å; F295-I297 HydrophobicContact CE1-CD1 3.65Å; F295-I297 HydrophobicContact CE1-CG1 3.51Å; F295-I297 HydrophobicContact CE2-CG1 4.11Å; F295-I297 HydrophobicContact CZ-CD1 3.48Å; F295-I297 VanDerWaalsContact CZ-CD1 3.48Å; F295-I297 HydrophobicContact CZ-CG1 3.25Å; F295-Y304 HydrophobicContact CD2-CD2 4.47Å; F295-Y304 HydrophobicContact CE2-CD2 4.03Å; F295-Y304 HydrophobicContact CE2-CG 4.08Å; F295-I306 HydrophobicContact CD2-CG2 3.8Å
296Q89.2Confident89.2Confident76 Ų7648.5 Ų48.536%0.35525%0.247SC..EExtended strand (participates in β ladder)trans-139140.2177.2-60.7177.846.700109.3Y304 I305 I345 Y346 F347Q296-Y304 CarbonylContact O-C 3.55Å; Q296-Y304 WeakPolarHBondContact O-CA 3.22Å; Q296-Y304 VanDerWaalsContact O-CB 3.24Å; Q296-Y304 WeakPolarHBondContact O-CB 3.49Å; Q296-I305 PolarHBondContact N-O 3.05Å; Q296-I305 VanDerWaalsContact N-O 3.16Å; Q296-I305 PolarHBondContact O-N 2.92Å; Q296-I345 PolarHBondContact NE2-O 2.81Å; Q296-Y346 VanDerWaalsContact OE1-CB 3.26Å; Q296-F347 HydrophobicContact CB-CD2 4.49Å; Q296-F347 HydrophobicContact CB-CE2 4.48Å
297I90.3Very high89.1Confident65 Ų6547.9 Ų47.933%0.33325%0.246SC..EExtended strand (participates in β ladder)trans-116138.3171.1-54.5177.5000108L235 F295 W302 H303 L322L235-I297 HydrophobicContact CD1-CD1 3.77Å; F295-I297 HydrophobicContact CE1-CD1 3.65Å; F295-I297 HydrophobicContact CE1-CG1 3.51Å; F295-I297 HydrophobicContact CE2-CG1 4.11Å; F295-I297 HydrophobicContact CZ-CD1 3.48Å; F295-I297 VanDerWaalsContact CZ-CD1 3.48Å; F295-I297 HydrophobicContact CZ-CG1 3.25Å; I297-W302 HydrophobicContact CG2-CE3 4.31Å; I297-H303 WeakPolarHBondContact CA-O 3.28Å; I297-L322 HydrophobicContact CD1-CD1 4.49Å; I297-L322 HydrophobicContact CG2-CD2 4.2Å
298G89.3Confident88.8Confident10 Ų1043.7 Ų43.710%0.10323%0.227CC..EExtended strand (participates in β ladder)trans173.8-159.7177.300000112.6H303 F347G298-H303 PolarHBondContact N-O 2.87Å; G298-H303 PolarHBondContact O-N 2.74Å; G298-F347 VanDerWaalsContact CA-CD2 3.49Å; G298-F347 VanDerWaalsContact N-CE2 3.25Å
299G84.8Confident88.5Confident17 Ų1746.2 Ų46.218%0.17524%0.24CC..THydrogen-bonded Turntrans77.8164.1-178.800000113.6P301G299-P301 CarbonylContact C-O 3.59Å; G299-P301 VanDerWaalsContact C-O 3.28Å; G299-P301 CarbonylContact O-C 3.57Å
300H83.5Confident88.2Confident132 Ų13249.8 Ų49.861%0.61125%0.248SC*.THydrogen-bonded Turntrans-129.8111.6172.4-176.475.9000107.7G353H300-G353 WeakPolarHBondContact O-CA 3.31Å
301P87.1Confident87.8Confident41 Ų4158.8 Ų58.827%0.26629%0.287SS..THydrogen-bonded Turncis-70.2167.9-0.722.4-26.5000114.5G299 H303 L368 H378G299-P301 CarbonylContact C-O 3.59Å; G299-P301 VanDerWaalsContact C-O 3.28Å; G299-P301 CarbonylContact O-C 3.57Å; P301-H303 PolarHBondContact O-N 3.16Å; P301-H303 PolarHBondContact O-ND1 2.86Å; P301-L368 HydrophobicContact CG-CD2 4.18Å; P301-L368 WeakPolarHBondContact O-CD2 3.5Å; P301-H378 WeakPolarHBondContact CG-CD2 3.49Å; P301-H378 WeakPolarHBondContact CG-NE2 3.23Å
302W90.3Very high87.5Confident177 Ų17768.1 Ų68.167%0.6733%0.327SS*.THydrogen-bonded Turntrans-63117.6-173.1-66.7111.6000113.9I297 L322I297-W302 HydrophobicContact CG2-CE3 4.31Å; W302-L322 HydrophobicContact CB-CB 4.35Å; W302-L322 HydrophobicContact CB-CD2 4.26Å; W302-L322 PolarHBondContact O-N 3.16Å
303H93.3Very high87.4Confident2 Ų264.2 Ų64.21%0.00931%0.309CS..EExtended strand (participates in β ladder)trans-130.4169.6177.1-7466.8000110.4I297 G298 P301 I319 C320 A321 F347 L368 H378I297-H303 WeakPolarHBondContact CA-O 3.28Å; G298-H303 PolarHBondContact N-O 2.87Å; G298-H303 PolarHBondContact O-N 2.74Å; P301-H303 PolarHBondContact O-N 3.16Å; P301-H303 PolarHBondContact O-ND1 2.86Å; H303-I319 HydrophobicContact CB-CG2 4.24Å; H303-C320 CarbonylContact C-O 3.59Å; H303-C320 VanDerWaalsContact CA-O 3.22Å; H303-C320 WeakPolarHBondContact CA-O 3.29Å; H303-C320 VanDerWaalsContact CB-O 3.3Å; H303-C320 WeakPolarHBondContact CB-O 3.49Å; H303-C320 VanDerWaalsContact CD2-C 3.41Å; H303-C320 PolarHBondContact CD2-O 3.43Å; H303-A321 VanDerWaalsContact CD2-CA 3.49Å; H303-A321 WeakPolarHBondContact CD2-CA 3.45Å; H303-A321 PolarHBondContact CD2-N 3.4Å; H303-F347 HydrophobicContact CB-CE1 4.07Å; H303-F347 HydrophobicContact CB-CZ 3.89Å; H303-F347 WeakPolarHBondContact O-CZ 3.16Å; H303-L368 VanDerWaalsContact CE1-CD2 3.5Å; H303-L368 WeakPolarHBondContact CE1-CD2 3.3Å; H303-L368 VanDerWaalsContact ND1-CD2 3.28Å; H303-L368 WeakPolarHBondContact ND1-CD2 3.29Å; H303-H378 AromaticContact CE1-CG 3.61Å; H303-H378 AromaticContact CE1-ND1 3.49Å; H303-H378 PolarHBondContact CE1-ND1 3.31Å; H303-H378 AromaticContact NE2-CG 3.75Å; H303-H378 AromaticContact NE2-ND1 3.61Å
304Y94Very high87.5Confident9 Ų968.1 Ų68.14%0.03532%0.324CS..EExtended strand (participates in β ladder)trans-130.2153.5170.369.2-93.7000111.3F286 V288 F295 Q296 I306 I319 C320 L322F286-Y304 HydrophobicContact CE2-CD1 4.38Å; F286-Y304 HydrophobicContact CE2-CE1 4.06Å; F286-Y304 AromaticContact CZ-CD1 3.82Å; F286-Y304 HydrophobicContact CZ-CD1 3.82Å; F286-Y304 AromaticContact CZ-CE1 3.56Å; F286-Y304 HydrophobicContact CZ-CE1 3.56Å; F286-Y304 HydrophobicContact CZ-CE2 4.41Å; F286-Y304 HydrophobicContact CZ-CG 4.34Å; F286-Y304 AromaticContact CZ-CZ 3.88Å; V288-Y304 HydrophobicContact CG2-CE2 3.92Å; F295-Y304 HydrophobicContact CD2-CD2 4.47Å; F295-Y304 HydrophobicContact CE2-CD2 4.03Å; F295-Y304 HydrophobicContact CE2-CG 4.08Å; Q296-Y304 CarbonylContact O-C 3.55Å; Q296-Y304 WeakPolarHBondContact O-CA 3.22Å; Q296-Y304 VanDerWaalsContact O-CB 3.24Å; Q296-Y304 WeakPolarHBondContact O-CB 3.49Å; Y304-I306 HydrophobicContact CD2-CG1 4.49Å; Y304-I306 HydrophobicContact CD2-CG2 3.85Å; Y304-I306 HydrophobicContact CE2-CD1 4.14Å; Y304-I306 HydrophobicContact CE2-CG1 4.08Å; Y304-I306 HydrophobicContact CE2-CG2 3.98Å; Y304-I319 WeakPolarHBondContact O-CA 3.38Å; Y304-C320 HydrophobicContact CD1-CB 4.14Å; Y304-C320 WeakPolarHBondContact CD1-O 3.47Å; Y304-C320 HydrophobicContact CD2-CB 4.33Å; Y304-C320 HydrophobicContact CE1-CB 3.49Å; Y304-C320 VanDerWaalsContact CE1-CB 3.49Å; Y304-C320 HydrophobicContact CE2-CB 3.73Å; Y304-C320 PolarHBondContact N-O 3.03Å; Y304-C320 PolarHBondContact O-N 2.96Å; Y304-C320 WeakPolarHBondContact OH-CB 3.4Å; Y304-L322 HydrophobicContact CD1-CD1 4.07Å
305I94.6Very high87.6Confident3 Ų366.6 Ų66.62%0.01531%0.313CS..EExtended strand (participates in β ladder)trans-114.4131.7176.1-58.9165.3000109Q296 F317 H318 I319 I345 F347 I355Q296-I305 PolarHBondContact N-O 3.05Å; Q296-I305 VanDerWaalsContact N-O 3.16Å; Q296-I305 PolarHBondContact O-N 2.92Å; I305-F317 HydrophobicContact CG2-CB 4.16Å; I305-F317 HydrophobicContact CG2-CD1 4.32Å; I305-H318 WeakPolarHBondContact CA-O 3.23Å; I305-I319 HydrophobicContact CG1-CG1 4.11Å; I305-I345 HydrophobicContact CD1-CG1 4.31Å; I305-I345 HydrophobicContact CG2-CG2 3.68Å; I305-F347 HydrophobicContact CB-CE2 4.46Å; I305-F347 HydrophobicContact CD1-CD1 4.36Å; I305-F347 HydrophobicContact CD1-CD2 3.87Å; I305-F347 HydrophobicContact CD1-CE1 4.15Å; I305-F347 HydrophobicContact CD1-CE2 3.63Å; I305-F347 HydrophobicContact CD1-CG 4.24Å; I305-F347 HydrophobicContact CD1-CZ 3.79Å; I305-F347 HydrophobicContact CG1-CD2 4.39Å; I305-F347 HydrophobicContact CG1-CE1 4.3Å; I305-F347 HydrophobicContact CG1-CE2 3.65Å; I305-F347 HydrophobicContact CG1-CZ 3.6Å; I305-I355 HydrophobicContact CD1-CG2 4.15Å
306I93.9Very high87.7Confident14 Ų1465.3 Ų65.37%0.07231%0.308CS..EExtended strand (participates in β ladder)trans-134.8157.5172.456.1166.3000111.5V288 F295 Y304 F317 H318V288-I306 HydrophobicContact CG1-CG2 4.14Å; V288-I306 HydrophobicContact CG2-CD1 3.75Å; V288-I306 HydrophobicContact CG2-CG2 4.02Å; F295-I306 HydrophobicContact CD2-CG2 3.8Å; Y304-I306 HydrophobicContact CD2-CG1 4.49Å; Y304-I306 HydrophobicContact CD2-CG2 3.85Å; Y304-I306 HydrophobicContact CE2-CD1 4.14Å; Y304-I306 HydrophobicContact CE2-CG1 4.08Å; Y304-I306 HydrophobicContact CE2-CG2 3.98Å; I306-F317 CarbonylContact O-C 3.28Å; I306-F317 WeakPolarHBondContact O-CA 3.47Å; I306-H318 HydrophobicContact CG1-CB 4.01Å; I306-H318 PolarHBondContact N-O 3.21Å; I306-H318 VanDerWaalsContact N-O 3.08Å; I306-H318 PolarHBondContact O-N 3.24Å
307T91.3Very high87.9Confident13 Ų1362.6 Ų62.68%0.0830%0.295CS..EExtended strand (participates in β ladder)trans-95.9123160.7-570000107.7S290 L291 N309 V316 F317S290-T307 CarbonylContact C-O 3.53Å; S290-T307 VanDerWaalsContact CA-O 3.26Å; S290-T307 WeakPolarHBondContact CA-O 3.15Å; S290-T307 PolarHBondContact OG-N 3.46Å; S290-T307 PolarHBondContact OG-O 2.74Å; S290-T307 VanDerWaalsContact OG-O 3.06Å; L291-T307 HydrophobicContact CB-CG2 3.84Å; L291-T307 HydrophobicContact CD2-CG2 3.97Å; L291-T307 HydrophobicContact CG-CG2 4.5Å; L291-T307 PolarHBondContact N-O 2.91Å; T307-N309 PolarHBondContact O-N 3.38Å; T307-V316 WeakPolarHBondContact CA-O 3.24Å; T307-V316 WeakPolarHBondContact CG2-O 3.46Å; T307-F317 WeakPolarHBondContact OG1-CE1 3.31Å
308P89.2Confident88.1Confident13 Ų1361.3 Ų61.38%0.08429%0.288CS..EExtended strand (participates in β ladder)trans-53.9138.9179.6-26.735.4000111.8L291 K310 Q313 V316 H318L291-P308 WeakPolarHBondContact CB-O 3.37Å; P308-K310 PolarHBondContact O-N 3.39Å; P308-Q313 HydrophobicContact CB-CB 4.41Å; P308-Q313 VanDerWaalsContact CB-OE1 3.26Å; P308-V316 WeakPolarHBondContact CD-O 3.46Å; P308-H318 VanDerWaalsContact CG-CD2 3.48Å; P308-H318 WeakPolarHBondContact CG-CD2 3.21Å; P308-H318 WeakPolarHBondContact CG-CE1 3.09Å; P308-H318 WeakPolarHBondContact CG-NE2 3.35Å
309N87.3Confident88.4Confident68 Ų6860.9 Ų60.936%0.36428%0.283SS..SBendtrans-73.457.2-176.9-166.711.7000113.4S230 T307S230-N309 PolarHBondContact O-ND2 2.65Å; T307-N309 PolarHBondContact O-N 3.38Å
310K86.6Confident88.8Confident138 Ų13860.4 Ų60.460%0.628%0.277SS*.  trans-138.9119.7176-65.4-176.6-171.7166.60107.6P308 K312 Q313P308-K310 PolarHBondContact O-N 3.39Å; K310-K312 PolarHBondContact O-N 3.31Å; K310-Q313 HydrophobicContact CB-CB 4.42Å; K310-Q313 HydrophobicContact CB-CG 4.26Å; K310-Q313 PolarHBondContact O-N 2.76Å
311K81Confident89.3Confident189 Ų18954.5 Ų54.582%0.82225%0.251SS*.G310 helixtrans-54.5-28.5-178.1-66.5-172.7178.1-175.30114.4L291 Q313L291-K311 HydrophobicContact CD1-CG 4.49Å; K311-Q313 PolarHBondContact O-N 2.86Å
312K81.8Confident89.5Confident215 Ų21555.1 Ų55.194%0.93525%0.251SS*.G310 helixtrans-72.4-13.8177.2-64.6-173.7178.6-175.70113.9K310K310-K312 PolarHBondContact O-N 3.31Å
313Q80.5Confident89.5Confident59 Ų5956.1 Ų56.128%0.27626%0.26SS..G310 helixtrans-109.324-179.5-62-170.5-62.400111.2P308 K310 K311 G315 V316P308-Q313 HydrophobicContact CB-CB 4.41Å; P308-Q313 VanDerWaalsContact CB-OE1 3.26Å; K310-Q313 HydrophobicContact CB-CB 4.42Å; K310-Q313 HydrophobicContact CB-CG 4.26Å; K310-Q313 PolarHBondContact O-N 2.76Å; K311-Q313 PolarHBondContact O-N 2.86Å; Q313-G315 PolarHBondContact O-N 3.04Å; Q313-V316 HydrophobicContact CB-CB 4.18Å; Q313-V316 HydrophobicContact CB-CG2 4.22Å; Q313-V316 WeakPolarHBondContact O-CB 3.15Å; Q313-V316 PolarHBondContact O-N 3.09Å; Q313-V316 VanDerWaalsContact O-N 3.08Å
314K82.2Confident89.3Confident110 Ų11060.2 Ų60.248%0.47828%0.283SS..THydrogen-bonded Turntrans-63.4130.6169.6-173.6174.7-179.9168.30108.2L291 E292 S342L291-K314 HydrophobicContact CD2-CB 4.09Å; L291-K314 HydrophobicContact CD2-CG 4.41Å; E292-K314 IonicContact OE1-NZ 2.57Å; K314-S342 WeakPolarHBondContact CE-OG 3.49Å
315G81.5Confident89.2Confident13 Ų1363.8 Ų63.813%0.13430%0.302CS..THydrogen-bonded Turntrans86.31-172.200000114.6Q313 D343Q313-G315 PolarHBondContact O-N 3.04Å; G315-D343 WeakPolarHBondContact CA-OD1 3.43Å
316V89.4Confident89.1Confident8 Ų865.7 Ų65.75%0.04832%0.316CS..EExtended strand (participates in β ladder)trans-102.4127.8171.9-176.40000109.1T307 P308 Q313 I332 E334T307-V316 WeakPolarHBondContact CA-O 3.24Å; T307-V316 WeakPolarHBondContact CG2-O 3.46Å; P308-V316 WeakPolarHBondContact CD-O 3.46Å; Q313-V316 HydrophobicContact CB-CB 4.18Å; Q313-V316 HydrophobicContact CB-CG2 4.22Å; Q313-V316 WeakPolarHBondContact O-CB 3.15Å; Q313-V316 PolarHBondContact O-N 3.09Å; Q313-V316 VanDerWaalsContact O-N 3.08Å; V316-I332 HydrophobicContact CG1-CG2 3.71Å; V316-E334 HydrophobicContact CG2-CB 4.27Å; V316-E334 HydrophobicContact CG2-CG 4.04Å
317F93.4Very high89.1Confident18 Ų1868.9 Ų68.98%0.07933%0.332CS..EExtended strand (participates in β ladder)trans-114.5134.7-178.9-55.8-77.8000110.7I305 I306 T307 I332 Q333 I345 H357I305-F317 HydrophobicContact CG2-CB 4.16Å; I305-F317 HydrophobicContact CG2-CD1 4.32Å; I306-F317 CarbonylContact O-C 3.28Å; I306-F317 WeakPolarHBondContact O-CA 3.47Å; T307-F317 WeakPolarHBondContact OG1-CE1 3.31Å; F317-I332 CarbonylContact O-C 3.52Å; F317-I332 WeakPolarHBondContact O-CA 3.41Å; F317-Q333 HydrophobicContact CB-CB 4.44Å; F317-Q333 PolarHBondContact N-O 3.48Å; F317-Q333 PolarHBondContact O-N 3.02Å; F317-I345 HydrophobicContact CB-CD1 4.25Å; F317-I345 HydrophobicContact CB-CG2 3.92Å; F317-I345 HydrophobicContact CD1-CG2 3.29Å; F317-I345 HydrophobicContact CD2-CB 4.22Å; F317-I345 HydrophobicContact CD2-CG2 3.77Å; F317-I345 HydrophobicContact CE1-CG2 3.63Å; F317-I345 HydrophobicContact CE2-CB 4.41Å; F317-I345 HydrophobicContact CE2-CG2 4.07Å; F317-I345 HydrophobicContact CG-CB 4.27Å; F317-I345 HydrophobicContact CG-CG2 3.36Å; F317-I345 HydrophobicContact CZ-CG2 4.01Å; F317-H357 AromaticContact CD2-NE2 3.95Å; F317-H357 AromaticContact CE2-NE2 3.8Å
318H94.8Very high89.2Confident39 Ų3968.5 Ų68.518%0.18133%0.331CS..EExtended strand (participates in β ladder)trans-108.3125.6173.5-70.2-165.2000109.3I305 I306 P308 L327I305-H318 WeakPolarHBondContact CA-O 3.23Å; I306-H318 HydrophobicContact CG1-CB 4.01Å; I306-H318 PolarHBondContact N-O 3.21Å; I306-H318 VanDerWaalsContact N-O 3.08Å; I306-H318 PolarHBondContact O-N 3.24Å; P308-H318 VanDerWaalsContact CG-CD2 3.48Å; P308-H318 WeakPolarHBondContact CG-CD2 3.21Å; P308-H318 WeakPolarHBondContact CG-CE1 3.09Å; P308-H318 WeakPolarHBondContact CG-NE2 3.35Å; H318-L327 HydrophobicContact CB-CD1 3.99Å
319I95.2Very high89.3Confident0 Ų073.2 Ų73.20%035%0.35CS..EExtended strand (participates in β ladder)trans-101.1113.5173.4-56.8156.5000108H303 Y304 I305 A328 G331 Q333 I345 I355 I380H303-I319 HydrophobicContact CB-CG2 4.24Å; Y304-I319 WeakPolarHBondContact O-CA 3.38Å; I305-I319 HydrophobicContact CG1-CG1 4.11Å; I319-A328 WeakPolarHBondContact O-CB 3.11Å; I319-A328 PolarHBondContact O-N 3.37Å; I319-G331 PolarHBondContact N-O 3.23Å; I319-Q333 HydrophobicContact CD1-CG 3.73Å; I319-I345 HydrophobicContact CD1-CD1 4.49Å; I319-I355 HydrophobicContact CD1-CD1 3.6Å; I319-I355 HydrophobicContact CG1-CD1 4.11Å; I319-I355 HydrophobicContact CG2-CD1 4.06Å; I319-I380 HydrophobicContact CD1-CD1 3.98Å; I319-I380 HydrophobicContact CD1-CG1 3.89Å; I319-I380 HydrophobicContact CD1-CG2 4.49Å; I319-I380 HydrophobicContact CG2-CD1 4.12Å
320C94.4Very high89.6Confident8 Ų874.9 Ų74.95%0.05436%0.359CS..EExtended strand (participates in β ladder)trans-124.5147.4-174.1-630000111.5H303 Y304 S326H303-C320 CarbonylContact C-O 3.59Å; H303-C320 VanDerWaalsContact CA-O 3.22Å; H303-C320 WeakPolarHBondContact CA-O 3.29Å; H303-C320 VanDerWaalsContact CB-O 3.3Å; H303-C320 WeakPolarHBondContact CB-O 3.49Å; H303-C320 VanDerWaalsContact CD2-C 3.41Å; H303-C320 PolarHBondContact CD2-O 3.43Å; Y304-C320 HydrophobicContact CD1-CB 4.14Å; Y304-C320 WeakPolarHBondContact CD1-O 3.47Å; Y304-C320 HydrophobicContact CD2-CB 4.33Å; Y304-C320 HydrophobicContact CE1-CB 3.49Å; Y304-C320 VanDerWaalsContact CE1-CB 3.49Å; Y304-C320 HydrophobicContact CE2-CB 3.73Å; Y304-C320 PolarHBondContact N-O 3.03Å; Y304-C320 PolarHBondContact O-N 2.96Å; Y304-C320 WeakPolarHBondContact OH-CB 3.4Å; C320-S326 CarbonylContact C-O 3.53Å; C320-S326 VanDerWaalsContact CA-O 3.23Å; C320-S326 WeakPolarHBondContact CA-O 3.42Å; C320-S326 WeakPolarHBondContact CB-O 3.39Å
321A92.7Very high89.8Confident7 Ų768.3 Ų68.36%0.05833%0.331CS..EExtended strand (participates in β ladder)trans-69.5134.2174.900000110.2H303 K323 N325 S326H303-A321 VanDerWaalsContact CD2-CA 3.49Å; H303-A321 WeakPolarHBondContact CD2-CA 3.45Å; H303-A321 PolarHBondContact CD2-N 3.4Å; A321-K323 VanDerWaalsContact C-N 3.27Å; A321-K323 PolarHBondContact O-N 2.9Å; A321-N325 VanDerWaalsContact O-CA 3.29Å; A321-N325 WeakPolarHBondContact O-CA 3.19Å; A321-N325 PolarHBondContact O-N 3.1Å; A321-S326 PolarHBondContact N-O 3.07Å
322L92.1Very high90.4Very high54 Ų5463.5 Ų63.528%0.28331%0.313SS..THydrogen-bonded Turntrans-68.8-28.5-178.9-171.866.6000112.5F286 I297 W302 Y304F286-L322 HydrophobicContact CD2-CD1 4.03Å; F286-L322 HydrophobicContact CE2-CD1 3.78Å; F286-L322 HydrophobicContact CZ-CD1 4.19Å; I297-L322 HydrophobicContact CD1-CD1 4.49Å; I297-L322 HydrophobicContact CG2-CD2 4.2Å; W302-L322 HydrophobicContact CB-CB 4.35Å; W302-L322 HydrophobicContact CB-CD2 4.26Å; W302-L322 PolarHBondContact O-N 3.16Å; Y304-L322 HydrophobicContact CD1-CD1 4.07Å
323K90.1Very high90.9Very high198 Ų19854.4 Ų54.486%0.86127%0.274SS*.THydrogen-bonded Turntrans-65.7-42.5-173.5-177.3-177177-172.80113.4A321A321-K323 VanDerWaalsContact C-N 3.27Å; A321-K323 PolarHBondContact O-N 2.9Å
324D89.6Confident91.3Very high89 Ų8957.6 Ų57.648%0.47629%0.289SS..THydrogen-bonded Turntrans-137.45.9-169.262.41.5000113.8S326D324-S326 PolarHBondContact O-N 3Å; D324-S326 WeakPolarHBondContact OD1-CB 3.36Å; D324-S326 PolarHBondContact OD1-N 2.9Å; D324-S326 PolarHBondContact OD1-OG 3.12Å; D324-S326 PolarHBondContact OD2-OG 3.25Å
325N91.8Very high91.4Very high83 Ų8352.9 Ų52.944%0.44427%0.269SS..  trans60.616.5-175.7-52.8-63.7000114F286 A321F286-N325 WeakPolarHBondContact CE2-OD1 3.35Å; A321-N325 VanDerWaalsContact O-CA 3.29Å; A321-N325 WeakPolarHBondContact O-CA 3.19Å; A321-N325 PolarHBondContact O-N 3.1Å
326S92.4Very high91Very high44 Ų4461.5 Ų61.531%0.30831%0.306SS..PPolyproline II helixtrans-68.9137176.8640000110.3C320 A321 D324C320-S326 CarbonylContact C-O 3.53Å; C320-S326 VanDerWaalsContact CA-O 3.23Å; C320-S326 WeakPolarHBondContact CA-O 3.42Å; C320-S326 WeakPolarHBondContact CB-O 3.39Å; A321-S326 PolarHBondContact N-O 3.07Å; D324-S326 PolarHBondContact O-N 3Å; D324-S326 WeakPolarHBondContact OD1-CB 3.36Å; D324-S326 PolarHBondContact OD1-N 2.9Å; D324-S326 PolarHBondContact OD1-OG 3.12Å; D324-S326 PolarHBondContact OD2-OG 3.25Å
327L93.9Very high90.2Very high80 Ų8062.6 Ų62.642%0.41931%0.313SS..EExtended strand (participates in β ladder)trans-71.8129173.6179.873.2000108.5H318 I332H318-L327 HydrophobicContact CB-CD1 3.99Å; L327-I332 HydrophobicContact CD1-CG1 4.14Å; L327-I332 HydrophobicContact CD2-CD1 3.84Å; L327-I332 HydrophobicContact CD2-CG1 3.76Å
328A93.3Very high89.1Confident6 Ų665.4 Ų65.45%0.0533%0.334CS..EExtended strand (participates in β ladder)trans-60.6148.9174.100000110.2I319 N330 G331 H378 I380I319-A328 WeakPolarHBondContact O-CB 3.11Å; I319-A328 PolarHBondContact O-N 3.37Å; A328-N330 PolarHBondContact O-N 3.09Å; A328-G331 VanDerWaalsContact O-CA 3.32Å; A328-G331 WeakPolarHBondContact O-CA 3.33Å; A328-G331 PolarHBondContact O-N 3.41Å; A328-H378 CarbonylContact C-O 3.53Å; A328-H378 WeakPolarHBondContact CA-O 3.38Å; A328-I380 HydrophobicContact CB-CG1 4.16Å
329K91.9Very high88Confident111 Ų11165.1 Ų65.148%0.48334%0.336SS..EExtended strand (participates in β ladder)trans-62.3128.7173.1-176.7-178.3179.3-1720108.7G331 V371 H378 Q379 I380K329-G331 PolarHBondContact O-N 3.17Å; K329-V371 HydrophobicContact CD-CG2 4.42Å; K329-H378 PolarHBondContact N-O 3.34Å; K329-Q379 HydrophobicContact CB-CB 3.84Å; K329-Q379 HydrophobicContact CD-CB 4.26Å; K329-Q379 HydrophobicContact CG-CB 4.34Å; K329-Q379 CarbonylContact O-C 3.56Å; K329-Q379 VanDerWaalsContact O-CA 3.3Å; K329-Q379 WeakPolarHBondContact O-CA 3.39Å; K329-I380 PolarHBondContact O-N 2.84Å
330N92.3Very high86.8Confident103 Ų10372 Ų7255%0.55137%0.372SS*.EExtended strand (participates in β ladder)trans5824.7-167.5-48.5-31.7000113.8A328 I332 Q333 I380A328-N330 PolarHBondContact O-N 3.09Å; N330-I332 VanDerWaalsContact C-N 3.26Å; N330-I332 PolarHBondContact O-N 3.26Å; N330-Q333 PolarHBondContact O-NE2 3.49Å; N330-I380 HydrophobicContact CB-CB 4.45Å; N330-I380 WeakPolarHBondContact CB-O 3.23Å; N330-I380 PolarHBondContact ND2-O 2.97Å
331G90.8Very high85.6Confident1 Ų176.2 Ų76.21%0.0139%0.391CS..EExtended strand (participates in β ladder)trans-77-6.4-179.300000114.8I319 A328 K329I319-G331 PolarHBondContact N-O 3.23Å; A328-G331 VanDerWaalsContact O-CA 3.32Å; A328-G331 WeakPolarHBondContact O-CA 3.33Å; A328-G331 PolarHBondContact O-N 3.41Å; K329-G331 PolarHBondContact O-N 3.17Å
332I93.9Very high84.6Confident88 Ų8878.9 Ų78.945%0.45141%0.409SS..EExtended strand (participates in β ladder)trans-85.7113.5171-60.7170.6000107.3V316 F317 L327 N330V316-I332 HydrophobicContact CG1-CG2 3.71Å; F317-I332 CarbonylContact O-C 3.52Å; F317-I332 WeakPolarHBondContact O-CA 3.41Å; L327-I332 HydrophobicContact CD1-CG1 4.14Å; L327-I332 HydrophobicContact CD2-CD1 3.84Å; L327-I332 HydrophobicContact CD2-CG1 3.76Å; N330-I332 VanDerWaalsContact C-N 3.26Å; N330-I332 PolarHBondContact O-N 3.26Å
333Q92.9Very high84.4Confident24 Ų2477 Ų7711%0.11240%0.4CS..EExtended strand (participates in β ladder)trans-113.2124.4179.2-63.6-60.3-4100109F317 I319 N330 I345 L366F317-Q333 HydrophobicContact CB-CB 4.44Å; F317-Q333 PolarHBondContact N-O 3.48Å; F317-Q333 PolarHBondContact O-N 3.02Å; I319-Q333 HydrophobicContact CD1-CG 3.73Å; N330-Q333 PolarHBondContact O-NE2 3.49Å; Q333-I345 HydrophobicContact CB-CD1 4.21Å; Q333-I345 HydrophobicContact CG-CD1 4.39Å; Q333-L366 HydrophobicContact CG-CD1 3.75Å
334E89.1Confident84.3Confident126 Ų12671.8 Ų71.859%0.58938%0.375SS*.EExtended strand (participates in β ladder)trans-137.6136.8176.1-179.8173.4-166.800106.7V316V316-E334 HydrophobicContact CG2-CB 4.27Å; V316-E334 HydrophobicContact CG2-CG 4.04Å
335M84.2Confident84.4Confident10 Ų1067.7 Ų67.75%0.04935%0.353CS..  trans-103117.3173.2-152.4165.4-74.500108.9C337 D343 H357 G359 Q362 K364M335-C337 PolarHBondContact O-N 3.36Å; M335-D343 HydrophobicContact CB-CB 4.49Å; M335-D343 WeakPolarHBondContact CB-OD2 3.4Å; M335-H357 HydrophobicContact CE-CB 4.25Å; M335-G359 WeakPolarHBondContact SD-CA 3.35Å; M335-Q362 HydrophobicContact CE-CG 3.82Å; M335-Q362 HydrophobicContact CG-CG 4.34Å; M335-Q362 HydrophobicContact SD-CG 3.39Å; M335-Q362 WeakPolarHBondContact SD-CG 3.4Å; M335-Q362 PolarHBondContact SD-NE2 3.01Å; M335-K364 HydrophobicContact CE-CD 4.11Å; M335-K364 HydrophobicContact CE-CG 4.16Å
336E73.4Confident84.4Confident195 Ų19566.1 Ų66.191%0.91134%0.341SS*.  trans-73.783.3174.6-166.1175.3-166.200108.6
337C71.9Confident84.4Confident31 Ų3165.1 Ų65.121%0.20933%0.331CS..  trans-134.2138.6175.861.60000111.5M335 S339 P360 D415M335-C337 PolarHBondContact O-N 3.36Å; C337-S339 PolarHBondContact O-N 2.98Å; C337-P360 HydrophobicContact CB-CG 3.71Å; C337-D415 VanDerWaalsContact CA-OD2 3.25Å; C337-D415 WeakPolarHBondContact CA-OD2 3.48Å; C337-D415 HydrophobicContact CB-CB 4.39Å; C337-D415 WeakPolarHBondContact CB-OD2 3.47Å
338C70.3Confident84.4Confident76 Ų7661.7 Ų61.751%0.51431%0.313SS..  trans-96.481.9175.5-73.20000109.2L414 D415C338-L414 HydrophobicContact CB-CD2 4.38Å; C338-L414 CarbonylContact O-C 3.6Å; C338-L414 VanDerWaalsContact O-CA 3.25Å; C338-L414 WeakPolarHBondContact O-CA 3.38Å; C338-L414 WeakPolarHBondContact O-CB 3.23Å; C338-L414 WeakPolarHBondContact O-CD2 3.45Å; C338-D415 PolarHBondContact N-OD2 3.32Å; C338-D415 PolarHBondContact O-N 2.9Å
339S71.1Confident84Confident33 Ų3365.6 Ų65.623%0.23134%0.338CS..  trans-128154.2-178.7171.90000112C337 E341 D416C337-S339 PolarHBondContact O-N 2.98Å; S339-E341 PolarHBondContact OG-N 2.88Å; S339-E341 PolarHBondContact OG-O 3.13Å; S339-E341 VanDerWaalsContact OG-O 3.05Å; S339-D416 WeakPolarHBondContact CA-OD1 3.45Å; S339-D416 VanDerWaalsContact OG-CB 3.31Å; S339-D416 WeakPolarHBondContact OG-CB 3.36Å; S339-D416 PolarHBondContact OG-OD2 2.62Å
340L70.9Confident83.8Confident144 Ų14462.4 Ų62.475%0.75433%0.326SS*.SBendtrans-74-40170-61169.2000111.6L414 D416L340-L414 HydrophobicContact CD1-CD1 4.18Å; L340-L414 HydrophobicContact CD2-CD1 4.35Å; L340-L414 HydrophobicContact CG-CD1 3.98Å; L340-D416 WeakPolarHBondContact CA-OD2 3.38Å; L340-D416 VanDerWaalsContact CB-OD2 3.28Å; L340-D416 WeakPolarHBondContact CB-OD2 3.1Å; L340-D416 PolarHBondContact N-OD1 2.81Å; L340-D416 PolarHBondContact N-OD2 3.08Å
341E70.3Confident83.3Confident98 Ų9861.2 Ų61.246%0.45833%0.331SS..SBendtrans-76133.5171.9-70.9177.7-178.900109.8S339 D416 K424S339-E341 PolarHBondContact OG-N 2.88Å; S339-E341 PolarHBondContact OG-O 3.13Å; S339-E341 VanDerWaalsContact OG-O 3.05Å; E341-D416 PolarHBondContact N-OD2 3.43Å; E341-K424 VanDerWaalsContact CD-NZ 3.34Å; E341-K424 IonicContact OE1-NZ 3.52Å; E341-K424 PolarHBondContact OE1-NZ 2.82Å; E341-K424 IonicContact OE2-NZ 3.98Å; E341-K424 PolarHBondContact OE2-NZ 3.49Å
342S71.6Confident83.1Confident62 Ų6263.5 Ų63.543%0.43435%0.346SS..PPolyproline II helixtrans-75.7143.5175.2-56.50000109.8K314K314-S342 WeakPolarHBondContact CE-OG 3.49Å
343D86.3Confident82.9Confident15 Ų1559.3 Ų59.38%0.0833%0.325CS..PPolyproline II helixtrans-62156.8167.960.3-24000110.8G315 M335 H357 V358G315-D343 WeakPolarHBondContact CA-OD1 3.43Å; M335-D343 HydrophobicContact CB-CB 4.49Å; M335-D343 WeakPolarHBondContact CB-OD2 3.4Å; D343-H357 IonicContact OD2-CD2 2.95Å; D343-H357 IonicContact OD2-CE1 3.63Å; D343-H357 IonicContact OD2-NE2 2.65Å; D343-H357 PolarHBondContact OD2-NE2 2.92Å; D343-V358 WeakPolarHBondContact CA-O 3.26Å; D343-V358 VanDerWaalsContact CB-O 3.32Å; D343-V358 WeakPolarHBondContact CB-O 3.49Å
344W87.8Confident82.9Confident88 Ų8859 Ų5933%0.33332%0.323SS..EExtended strand (participates in β ladder)trans-135151.8178.666.389.7000111.3Y346 V358W344-Y346 AromaticContact CD1-CD1 3.85Å; W344-Y346 AromaticContact CD1-CE1 3.83Å; W344-Y346 AromaticContact NE1-CE1 3.84Å; W344-V358 HydrophobicContact CD2-CB 3.94Å; W344-V358 HydrophobicContact CD2-CG1 4.31Å; W344-V358 VanDerWaalsContact CE2-CB 3.46Å; W344-V358 HydrophobicContact CG-CB 4.32Å; W344-V358 HydrophobicContact CH2-CB 4.38Å; W344-V358 HydrophobicContact CH2-CG1 3.69Å; W344-V358 HydrophobicContact CZ2-CB 3.74Å; W344-V358 HydrophobicContact CZ2-CG1 3.32Å; W344-V358 HydrophobicContact CZ2-CG2 4.2Å; W344-V358 HydrophobicContact CZ3-CG1 4.31Å; W344-V358 PolarHBondContact N-O 2.83Å; W344-V358 PolarHBondContact O-N 2.84Å
345I92Very high83.3Confident4 Ų453 Ų532%0.02130%0.295CS..EExtended strand (participates in β ladder)trans-137143.1-176.3-168.2172.4000109.5Q296 I305 F317 I319 Q333 I355 I356 H357Q296-I345 PolarHBondContact NE2-O 2.81Å; I305-I345 HydrophobicContact CD1-CG1 4.31Å; I305-I345 HydrophobicContact CG2-CG2 3.68Å; F317-I345 HydrophobicContact CB-CD1 4.25Å; F317-I345 HydrophobicContact CB-CG2 3.92Å; F317-I345 HydrophobicContact CD1-CG2 3.29Å; F317-I345 HydrophobicContact CD2-CB 4.22Å; F317-I345 HydrophobicContact CD2-CG2 3.77Å; F317-I345 HydrophobicContact CE1-CG2 3.63Å; F317-I345 HydrophobicContact CE2-CB 4.41Å; F317-I345 HydrophobicContact CE2-CG2 4.07Å; F317-I345 HydrophobicContact CG-CB 4.27Å; F317-I345 HydrophobicContact CG-CG2 3.36Å; F317-I345 HydrophobicContact CZ-CG2 4.01Å; I319-I345 HydrophobicContact CD1-CD1 4.49Å; Q333-I345 HydrophobicContact CB-CD1 4.21Å; Q333-I345 HydrophobicContact CG-CD1 4.39Å; I345-I355 HydrophobicContact CD1-CG2 3.71Å; I345-I355 HydrophobicContact CG1-CG2 3.47Å; I345-I355 VanDerWaalsContact CG1-CG2 3.47Å; I345-I356 CarbonylContact C-O 3.5Å; I345-I356 VanDerWaalsContact CA-O 3.26Å; I345-I356 WeakPolarHBondContact CA-O 3.47Å; I345-I356 WeakPolarHBondContact CG1-O 3.47Å; I345-H357 HydrophobicContact CB-CB 4.43Å; I345-H357 HydrophobicContact CD1-CB 4.08Å; I345-H357 HydrophobicContact CG1-CB 3.97Å
346Y92.8Very high83.8Confident49 Ų4952.6 Ų52.619%0.19229%0.293CS..EExtended strand (participates in β ladder)trans-156157.1176.158.7-84.4000111.6Q296 W344 I355 I356 V358 V426Q296-Y346 VanDerWaalsContact OE1-CB 3.26Å; W344-Y346 AromaticContact CD1-CD1 3.85Å; W344-Y346 AromaticContact CD1-CE1 3.83Å; W344-Y346 AromaticContact NE1-CE1 3.84Å; Y346-I355 WeakPolarHBondContact O-CA 3.39Å; Y346-I355 WeakPolarHBondContact O-CG2 3.31Å; Y346-I356 HydrophobicContact CE1-CB 4.06Å; Y346-I356 HydrophobicContact CE1-CG2 4.09Å; Y346-I356 HydrophobicContact CE2-CB 4.08Å; Y346-I356 HydrophobicContact CE2-CD1 3.73Å; Y346-I356 HydrophobicContact CE2-CG1 4.28Å; Y346-I356 PolarHBondContact N-O 3.49Å; Y346-I356 PolarHBondContact O-N 3.44Å; Y346-I356 WeakPolarHBondContact OH-CD1 3.39Å; Y346-V358 HydrophobicContact CE1-CG2 4.34Å; Y346-V426 PolarHBondContact OH-O 2.93Å; Y346-V426 VanDerWaalsContact OH-O 3.1Å
347F92.4Very high84.8Confident23 Ų2343.3 Ų43.310%0.10125%0.249CC..EExtended strand (participates in β ladder)trans-67.6134.6174.2-68.6-75.3000110.7Q296 G298 H303 I305 I355Q296-F347 HydrophobicContact CB-CD2 4.49Å; Q296-F347 HydrophobicContact CB-CE2 4.48Å; G298-F347 VanDerWaalsContact CA-CD2 3.49Å; G298-F347 VanDerWaalsContact N-CE2 3.25Å; H303-F347 HydrophobicContact CB-CE1 4.07Å; H303-F347 HydrophobicContact CB-CZ 3.89Å; H303-F347 WeakPolarHBondContact O-CZ 3.16Å; I305-F347 HydrophobicContact CB-CE2 4.46Å; I305-F347 HydrophobicContact CD1-CD1 4.36Å; I305-F347 HydrophobicContact CD1-CD2 3.87Å; I305-F347 HydrophobicContact CD1-CE1 4.15Å; I305-F347 HydrophobicContact CD1-CE2 3.63Å; I305-F347 HydrophobicContact CD1-CG 4.24Å; I305-F347 HydrophobicContact CD1-CZ 3.79Å; I305-F347 HydrophobicContact CG1-CD2 4.39Å; I305-F347 HydrophobicContact CG1-CE1 4.3Å; I305-F347 HydrophobicContact CG1-CE2 3.65Å; I305-F347 HydrophobicContact CG1-CZ 3.6Å; F347-I355 HydrophobicContact CD1-CD1 4.21Å; F347-I355 HydrophobicContact CD1-CG1 3.77Å; F347-I355 HydrophobicContact CE1-CD1 3.95Å; F347-I355 HydrophobicContact CE1-CG1 4.05Å
348H92.6Very high85.7Confident8 Ų841.8 Ų41.84%0.03724%0.239CC..  trans-64.2131.3176.2-165-72.5000109.7D350 R354 I356 Y428 N456H348-D350 VanDerWaalsContact C-N 3.28Å; H348-D350 IonicContact CE1-OD1 3.7Å; H348-D350 IonicContact CE1-OD2 3.51Å; H348-D350 PolarHBondContact CE1-OD2 3.04Å; H348-D350 IonicContact CG-OD1 3.34Å; H348-D350 WeakPolarHBondContact ND1-CB 3.42Å; H348-D350 PolarHBondContact ND1-N 3.03Å; H348-D350 IonicContact ND1-OD1 3.98Å; H348-D350 PolarHBondContact ND1-OD1 2.9Å; H348-D350 IonicContact ND1-OD2 3.8Å; H348-D350 PolarHBondContact ND1-OD2 3.25Å; H348-D350 PolarHBondContact O-N 2.87Å; H348-R354 HydrophobicContact CB-CB 3.75Å; H348-R354 WeakPolarHBondContact CB-O 3.32Å; H348-R354 PolarHBondContact N-O 2.87Å; H348-I356 HydrophobicContact CB-CG1 4.45Å; H348-I356 VanDerWaalsContact CD2-CD1 3.42Å; H348-I356 WeakPolarHBondContact CD2-CD1 3.39Å; H348-Y428 AromaticContact CE1-CD1 3.92Å; H348-Y428 AromaticContact CE1-CD2 3.58Å; H348-Y428 AromaticContact CE1-CE2 3.89Å; H348-Y428 AromaticContact CE1-CG 3.58Å; H348-Y428 AromaticContact NE2-CD2 3.84Å; H348-Y428 AromaticContact NE2-CG 3.98Å; H348-N456 PolarHBondContact CE1-OD1 2.77Å; H348-N456 PolarHBondContact NE2-OD1 2.69Å
349P86.5Confident86.6Confident89 Ų8938.2 Ų38.258%0.57822%0.215SC*.THydrogen-bonded Turntrans-76.2-4.9-171.629.8-38.2000115.4A351 Y428P349-A351 PolarHBondContact O-N 3.06Å; P349-Y428 HydrophobicContact CG-CD1 3.59Å; P349-Y428 HydrophobicContact CG-CG 4.1Å
350D86.2Confident87.2Confident43 Ų4337.2 Ų37.223%0.2321%0.208CC..THydrogen-bonded Turntrans-81.310.3-178.173.2-16000114.9H348 S352 R354 Y428 N456H348-D350 VanDerWaalsContact C-N 3.28Å; H348-D350 IonicContact CE1-OD1 3.7Å; H348-D350 IonicContact CE1-OD2 3.51Å; H348-D350 PolarHBondContact CE1-OD2 3.04Å; H348-D350 IonicContact CG-OD1 3.34Å; H348-D350 WeakPolarHBondContact ND1-CB 3.42Å; H348-D350 PolarHBondContact ND1-N 3.03Å; H348-D350 IonicContact ND1-OD1 3.98Å; H348-D350 PolarHBondContact ND1-OD1 2.9Å; H348-D350 IonicContact ND1-OD2 3.8Å; H348-D350 PolarHBondContact ND1-OD2 3.25Å; H348-D350 PolarHBondContact O-N 2.87Å; D350-S352 PolarHBondContact O-N 2.92Å; D350-S352 VanDerWaalsContact OD1-CB 3.23Å; D350-S352 WeakPolarHBondContact OD1-CB 3.38Å; D350-S352 PolarHBondContact OD1-N 2.89Å; D350-S352 PolarHBondContact OD1-OG 2.83Å; D350-S352 WeakPolarHBondContact OD2-CB 3.46Å; D350-S352 PolarHBondContact OD2-OG 3.06Å; D350-R354 IonicContact OD2-CZ 3.24Å; D350-R354 IonicContact OD2-NE 3.48Å; D350-R354 IonicContact OD2-NH2 2.72Å; D350-R354 PolarHBondContact OD2-NH2 3.1Å; D350-Y428 HydrophobicContact CB-CE1 3.76Å; D350-N456 PolarHBondContact OD2-ND2 2.88Å
351A81.4Confident88Confident79 Ų7931.7 Ų31.765%0.65318%0.179SC*.SBendtrans58.613.7-176.400000115.4P349 G353P349-A351 PolarHBondContact O-N 3.06Å; A351-G353 PolarHBondContact O-N 3.07Å
352S87.7Confident89Confident48 Ų4827.7 Ų27.734%0.33616%0.161SC..SBendtrans-78.40.9-177.983.60000113.9D350 R354D350-S352 PolarHBondContact O-N 2.92Å; D350-S352 VanDerWaalsContact OD1-CB 3.23Å; D350-S352 WeakPolarHBondContact OD1-CB 3.38Å; D350-S352 PolarHBondContact OD1-N 2.89Å; D350-S352 PolarHBondContact OD1-OG 2.83Å; D350-S352 WeakPolarHBondContact OD2-CB 3.46Å; D350-S352 PolarHBondContact OD2-OG 3.06Å; S352-R354 PolarHBondContact O-N 3.46Å; S352-R354 VanDerWaalsContact OG-CB 3.31Å; S352-R354 WeakPolarHBondContact OG-CB 3.3Å; S352-R354 WeakPolarHBondContact OG-CD 3.39Å; S352-R354 WeakPolarHBondContact OG-CG 3.48Å; S352-R354 PolarHBondContact OG-N 3.25Å; S352-R354 PolarHBondContact OG-NE 3.37Å
353G88.6Confident90.1Very high1 Ų124.8 Ų24.81%0.0114%0.14CC..SBendtrans68.916.7-17000000114.2H300 A351 L368H300-G353 WeakPolarHBondContact O-CA 3.31Å; A351-G353 PolarHBondContact O-N 3.07Å; G353-L368 WeakPolarHBondContact O-CB 3.44Å; G353-L368 PolarHBondContact O-N 3.4Å; G353-L368 VanDerWaalsContact O-N 3.11Å
354R94.6Very high90.5Very high18 Ų1826 Ų267%0.06814%0.144CC..EExtended strand (participates in β ladder)trans-84160.6174.4-72.9179.5-59.5163.17.3111.5H348 D350 S352 V365 L366 K367 D383 N456H348-R354 HydrophobicContact CB-CB 3.75Å; H348-R354 WeakPolarHBondContact CB-O 3.32Å; H348-R354 PolarHBondContact N-O 2.87Å; D350-R354 IonicContact OD2-CZ 3.24Å; D350-R354 IonicContact OD2-NE 3.48Å; D350-R354 IonicContact OD2-NH2 2.72Å; D350-R354 PolarHBondContact OD2-NH2 3.1Å; S352-R354 PolarHBondContact O-N 3.46Å; S352-R354 VanDerWaalsContact OG-CB 3.31Å; S352-R354 WeakPolarHBondContact OG-CB 3.3Å; S352-R354 WeakPolarHBondContact OG-CD 3.39Å; S352-R354 WeakPolarHBondContact OG-CG 3.48Å; S352-R354 PolarHBondContact OG-N 3.25Å; S352-R354 PolarHBondContact OG-NE 3.37Å; R354-V365 HydrophobicContact CB-CG1 4.24Å; R354-V365 HydrophobicContact CG-CG1 4.4Å; R354-L366 CarbonylContact C-O 3.58Å; R354-L366 WeakPolarHBondContact CA-O 3.24Å; R354-L366 WeakPolarHBondContact CB-O 3.42Å; R354-K367 HydrophobicContact CG-CB 4.31Å; R354-K367 HydrophobicContact CG-CG 4.36Å; R354-D383 WeakPolarHBondContact CD-OD2 3.41Å; R354-D383 IonicContact NH1-OD2 2.87Å; R354-N456 PolarHBondContact NH1-O 3.18Å; R354-N456 PolarHBondContact NH2-ND2 2.9Å; R354-N456 PolarHBondContact NH2-OD1 2.93Å
355I95.8Very high90.9Very high0 Ų021.8 Ų21.80%013%0.129CC..EExtended strand (participates in β ladder)trans-133.3135-179.8-58.6171.8000107.1I305 I319 I345 Y346 F347 V365 L366 I380I305-I355 HydrophobicContact CD1-CG2 4.15Å; I319-I355 HydrophobicContact CD1-CD1 3.6Å; I319-I355 HydrophobicContact CG1-CD1 4.11Å; I319-I355 HydrophobicContact CG2-CD1 4.06Å; I345-I355 HydrophobicContact CD1-CG2 3.71Å; I345-I355 HydrophobicContact CG1-CG2 3.47Å; I345-I355 VanDerWaalsContact CG1-CG2 3.47Å; Y346-I355 WeakPolarHBondContact O-CA 3.39Å; Y346-I355 WeakPolarHBondContact O-CG2 3.31Å; F347-I355 HydrophobicContact CD1-CD1 4.21Å; F347-I355 HydrophobicContact CD1-CG1 3.77Å; F347-I355 HydrophobicContact CE1-CD1 3.95Å; F347-I355 HydrophobicContact CE1-CG1 4.05Å; I355-V365 WeakPolarHBondContact O-CA 3.16Å; I355-L366 HydrophobicContact CB-CB 4.27Å; I355-L366 PolarHBondContact N-O 2.76Å; I355-L366 PolarHBondContact O-N 3.08Å; I355-I380 HydrophobicContact CD1-CD1 4.09Å
356I94.8Very high91.1Very high0 Ų021.9 Ų21.90%013%0.129CC..EExtended strand (participates in β ladder)trans-103.1122.4174.8-59.3176.2000107.8I345 Y346 H348 V358 V363 V365 V426 L435I345-I356 CarbonylContact C-O 3.5Å; I345-I356 VanDerWaalsContact CA-O 3.26Å; I345-I356 WeakPolarHBondContact CA-O 3.47Å; I345-I356 WeakPolarHBondContact CG1-O 3.47Å; Y346-I356 HydrophobicContact CE1-CB 4.06Å; Y346-I356 HydrophobicContact CE1-CG2 4.09Å; Y346-I356 HydrophobicContact CE2-CB 4.08Å; Y346-I356 HydrophobicContact CE2-CD1 3.73Å; Y346-I356 HydrophobicContact CE2-CG1 4.28Å; Y346-I356 PolarHBondContact N-O 3.49Å; Y346-I356 PolarHBondContact O-N 3.44Å; Y346-I356 WeakPolarHBondContact OH-CD1 3.39Å; H348-I356 HydrophobicContact CB-CG1 4.45Å; H348-I356 VanDerWaalsContact CD2-CD1 3.42Å; H348-I356 WeakPolarHBondContact CD2-CD1 3.39Å; I356-V358 HydrophobicContact CG2-CG2 3.59Å; I356-V363 HydrophobicContact CG2-CG1 3.74Å; I356-V365 HydrophobicContact CG1-CG2 4.46Å; I356-V426 HydrophobicContact CG2-CG1 4.1Å; I356-L435 HydrophobicContact CD1-CD1 3.97Å
357H94.8Very high91.2Very high0 Ų024 Ų240%014%0.139CC..EExtended strand (participates in β ladder)trans-114.1110.6172-175-171000108.6F317 M335 D343 I345 K364 L366F317-H357 AromaticContact CD2-NE2 3.95Å; F317-H357 AromaticContact CE2-NE2 3.8Å; M335-H357 HydrophobicContact CE-CB 4.25Å; D343-H357 IonicContact OD2-CD2 2.95Å; D343-H357 IonicContact OD2-CE1 3.63Å; D343-H357 IonicContact OD2-NE2 2.65Å; D343-H357 PolarHBondContact OD2-NE2 2.92Å; I345-H357 HydrophobicContact CB-CB 4.43Å; I345-H357 HydrophobicContact CD1-CB 4.08Å; I345-H357 HydrophobicContact CG1-CB 3.97Å; H357-K364 HydrophobicContact CB-CB 4.31Å; H357-K364 PolarHBondContact N-O 2.85Å; H357-K364 PolarHBondContact O-N 3.04Å; H357-L366 HydrophobicContact CB-CD1 4.48Å
358V91.4Very high91.2Very high0 Ų023.3 Ų23.30%014%0.137CC..EExtended strand (participates in β ladder)trans-105.3122.3-175.5-174.10000109.2D343 W344 Y346 I356 V363 F423 V426D343-V358 WeakPolarHBondContact CA-O 3.26Å; D343-V358 VanDerWaalsContact CB-O 3.32Å; D343-V358 WeakPolarHBondContact CB-O 3.49Å; W344-V358 HydrophobicContact CD2-CB 3.94Å; W344-V358 HydrophobicContact CD2-CG1 4.31Å; W344-V358 VanDerWaalsContact CE2-CB 3.46Å; W344-V358 HydrophobicContact CG-CB 4.32Å; W344-V358 HydrophobicContact CH2-CB 4.38Å; W344-V358 HydrophobicContact CH2-CG1 3.69Å; W344-V358 HydrophobicContact CZ2-CB 3.74Å; W344-V358 HydrophobicContact CZ2-CG1 3.32Å; W344-V358 HydrophobicContact CZ2-CG2 4.2Å; W344-V358 HydrophobicContact CZ3-CG1 4.31Å; W344-V358 PolarHBondContact N-O 2.83Å; W344-V358 PolarHBondContact O-N 2.84Å; Y346-V358 HydrophobicContact CE1-CG2 4.34Å; I356-V358 HydrophobicContact CG2-CG2 3.59Å; V358-V363 HydrophobicContact CG1-CG2 4.21Å; V358-V363 HydrophobicContact CG2-CG1 4.21Å; V358-F423 HydrophobicContact CG1-CB 4.36Å; V358-V426 HydrophobicContact CB-CG2 4.47Å; V358-V426 HydrophobicContact CG1-CG2 3.86Å; V358-V426 HydrophobicContact CG2-CB 3.97Å; V358-V426 HydrophobicContact CG2-CG1 4.38Å; V358-V426 HydrophobicContact CG2-CG2 3.74Å
359G89.3Confident91.1Very high1 Ų124.4 Ų24.41%0.0115%0.146CC..  trans-118-173.6164.100000111.6M335 N361 Q362M335-G359 WeakPolarHBondContact SD-CA 3.35Å; G359-N361 VanDerWaalsContact C-N 3.31Å; G359-N361 PolarHBondContact O-N 2.78Å; G359-Q362 PolarHBondContact N-O 3.3Å
360P84.3Confident91.1Very high11 Ų1125.9 Ų25.97%0.07114%0.144CC..SBendtrans-63.9-35.3-174.525.2-35.4000112.7C337 D415 T422 F423C337-P360 HydrophobicContact CB-CG 3.71Å; P360-D415 HydrophobicContact CB-CB 4.06Å; P360-D415 HydrophobicContact CG-CB 3.59Å; P360-T422 VanDerWaalsContact O-CA 3.27Å; P360-T422 WeakPolarHBondContact O-CA 3.42Å; P360-F423 PolarHBondContact O-N 2.97Å
361N87Confident91.1Very high28 Ų2825 Ų2515%0.1514%0.14CC..SBendtrans-115.6-12.1-17070.4-11.3000115G359 A388 R390G359-N361 VanDerWaalsContact C-N 3.31Å; G359-N361 PolarHBondContact O-N 2.78Å; N361-A388 WeakPolarHBondContact O-CB 3.48Å; N361-A388 PolarHBondContact O-N 3.31Å; N361-R390 VanDerWaalsContact CB-NH1 3.29Å
362Q91.3Very high90.7Very high15 Ų1529.2 Ų29.27%0.0715%0.147CC..EExtended strand (participates in β ladder)trans-147.6145.7-176.271.2-172.3-4.400110.8M335 G359 K364 V385 I386 W387M335-Q362 HydrophobicContact CE-CG 3.82Å; M335-Q362 HydrophobicContact CG-CG 4.34Å; M335-Q362 HydrophobicContact SD-CG 3.39Å; M335-Q362 WeakPolarHBondContact SD-CG 3.4Å; M335-Q362 PolarHBondContact SD-NE2 3.01Å; G359-Q362 PolarHBondContact N-O 3.3Å; Q362-K364 HydrophobicContact CG-CG 4.47Å; Q362-K364 VanDerWaalsContact NE2-CE 3.31Å; Q362-V385 HydrophobicContact CB-CG1 4.04Å; Q362-I386 CarbonylContact C-O 3.6Å; Q362-I386 VanDerWaalsContact CA-O 3.25Å; Q362-I386 WeakPolarHBondContact CA-O 3.3Å; Q362-W387 HydrophobicContact CB-CD2 4.35Å; Q362-W387 HydrophobicContact CB-CE3 3.76Å; Q362-W387 HydrophobicContact CB-CH2 4.38Å; Q362-W387 HydrophobicContact CB-CZ3 3.78Å; Q362-W387 HydrophobicContact CG-CZ3 4.43Å
363V94.3Very high90.1Very high0 Ų035.2 Ų35.20%018%0.175CC..EExtended strand (participates in β ladder)trans-114112.2167.2-177.60000107I356 V358 V385 I386 F423 V426I356-V363 HydrophobicContact CG2-CG1 3.74Å; V358-V363 HydrophobicContact CG1-CG2 4.21Å; V358-V363 HydrophobicContact CG2-CG1 4.21Å; V363-V385 WeakPolarHBondContact O-CA 3.24Å; V363-I386 HydrophobicContact CB-CB 4.2Å; V363-I386 PolarHBondContact N-O 2.89Å; V363-I386 PolarHBondContact O-N 2.78Å; V363-F423 HydrophobicContact CG2-CD2 3.68Å; V363-F423 HydrophobicContact CG2-CE2 3.88Å; V363-F423 HydrophobicContact CG2-CG 4.01Å; V363-F423 HydrophobicContact CG2-CZ 4.39Å; V363-V426 HydrophobicContact CG1-CG1 4.19Å; V363-V426 HydrophobicContact CG1-CG2 4.39Å; V363-V426 HydrophobicContact CG2-CG2 3.72Å
364K95.4Very high89.5Confident40 Ų4037.7 Ų37.717%0.17419%0.188CC..EExtended strand (participates in β ladder)trans-93.3123.2174.9-69-177.5172.9172.30109.4M335 H357 Q362 L366 V385M335-K364 HydrophobicContact CE-CD 4.11Å; M335-K364 HydrophobicContact CE-CG 4.16Å; H357-K364 HydrophobicContact CB-CB 4.31Å; H357-K364 PolarHBondContact N-O 2.85Å; H357-K364 PolarHBondContact O-N 3.04Å; Q362-K364 HydrophobicContact CG-CG 4.47Å; Q362-K364 VanDerWaalsContact NE2-CE 3.31Å; K364-L366 HydrophobicContact CB-CD2 4.19Å; K364-V385 HydrophobicContact CG-CG1 4.2Å; K364-V385 HydrophobicContact CG-CG2 4.06Å
365V96.3Very high88.5Confident1 Ų141.3 Ų41.31%0.00622%0.216CC..EExtended strand (participates in β ladder)trans-97.9116.7166.5-178.60000107.5R354 I355 I356 D383 F384R354-V365 HydrophobicContact CB-CG1 4.24Å; R354-V365 HydrophobicContact CG-CG1 4.4Å; I355-V365 WeakPolarHBondContact O-CA 3.16Å; I356-V365 HydrophobicContact CG1-CG2 4.46Å; V365-D383 HydrophobicContact CG1-CB 4.32Å; V365-D383 VanDerWaalsContact O-CB 3.31Å; V365-D383 WeakPolarHBondContact O-CB 3.49Å; V365-D383 PolarHBondContact O-N 2.88Å; V365-F384 HydrophobicContact CB-CD1 4.2Å; V365-F384 HydrophobicContact CB-CD2 4.07Å; V365-F384 HydrophobicContact CB-CE1 3.92Å; V365-F384 HydrophobicContact CB-CE2 3.78Å; V365-F384 HydrophobicContact CB-CG 4.29Å; V365-F384 HydrophobicContact CB-CZ 3.71Å; V365-F384 HydrophobicContact CG1-CD1 4.44Å; V365-F384 HydrophobicContact CG1-CE1 3.9Å; V365-F384 HydrophobicContact CG1-CZ 3.97Å; V365-F384 HydrophobicContact CG2-CD2 3.98Å; V365-F384 HydrophobicContact CG2-CE1 4.16Å; V365-F384 HydrophobicContact CG2-CE2 3.31Å; V365-F384 HydrophobicContact CG2-CZ 3.43Å; V365-F384 VanDerWaalsContact CG2-CZ 3.43Å; V365-F384 PolarHBondContact N-O 3.19Å; V365-F384 PolarHBondContact O-N 2.99Å
366L95.6Very high87.4Confident5 Ų544.6 Ų44.63%0.02624%0.239CC..EExtended strand (participates in β ladder)trans-105.8150.7-178-50.8173.2000109.1Q333 R354 I355 H357 K364 I380 S381Q333-L366 HydrophobicContact CG-CD1 3.75Å; R354-L366 CarbonylContact C-O 3.58Å; R354-L366 WeakPolarHBondContact CA-O 3.24Å; R354-L366 WeakPolarHBondContact CB-O 3.42Å; I355-L366 HydrophobicContact CB-CB 4.27Å; I355-L366 PolarHBondContact N-O 2.76Å; I355-L366 PolarHBondContact O-N 3.08Å; H357-L366 HydrophobicContact CB-CD1 4.48Å; K364-L366 HydrophobicContact CB-CD2 4.19Å; L366-I380 HydrophobicContact CB-CG2 3.83Å; L366-I380 HydrophobicContact CD1-CG2 4.01Å; L366-I380 HydrophobicContact CG-CG2 4.34Å; L366-S381 CarbonylContact C-O 3.4Å; L366-S381 WeakPolarHBondContact CA-O 3.41Å
367K94.3Very high86.8Confident93 Ų9349.3 Ų49.340%0.40426%0.261SS..EExtended strand (participates in β ladder)trans-120.7127.8179-173.6172.7-176.8174.10110.5R354 S381 D383R354-K367 HydrophobicContact CG-CB 4.31Å; R354-K367 HydrophobicContact CG-CG 4.36Å; K367-S381 PolarHBondContact N-O 2.83Å; K367-S381 PolarHBondContact O-N 2.81Å; K367-D383 HydrophobicContact CB-CB 4.24Å
368L93Very high86.6Confident10 Ų1050.5 Ų50.55%0.05227%0.267CS..EExtended strand (participates in β ladder)trans-79.5126.4167.6-172.571000108.9P301 H303 G353 H378 I380P301-L368 HydrophobicContact CG-CD2 4.18Å; P301-L368 WeakPolarHBondContact O-CD2 3.5Å; H303-L368 VanDerWaalsContact CE1-CD2 3.5Å; H303-L368 WeakPolarHBondContact CE1-CD2 3.3Å; H303-L368 VanDerWaalsContact ND1-CD2 3.28Å; H303-L368 WeakPolarHBondContact ND1-CD2 3.29Å; G353-L368 WeakPolarHBondContact O-CB 3.44Å; G353-L368 PolarHBondContact O-N 3.4Å; G353-L368 VanDerWaalsContact O-N 3.11Å; L368-H378 HydrophobicContact CD1-CB 3.67Å; L368-H378 HydrophobicContact CG-CB 4.32Å; L368-I380 HydrophobicContact CB-CD1 4.23Å; L368-I380 HydrophobicContact CD1-CD1 3.44Å; L368-I380 VanDerWaalsContact CD1-CD1 3.44Å; L368-I380 HydrophobicContact CG-CD1 4.45Å
369S90.3Very high86.7Confident31 Ų3153 Ų5322%0.21728%0.278CS..EExtended strand (participates in β ladder)trans-137.9153.2177.852.50000110.8H378 Q379S369-H378 CarbonylContact O-C 3.49Å; S369-H378 VanDerWaalsContact O-CA 3.31Å; S369-H378 WeakPolarHBondContact O-CA 3.41Å; S369-Q379 PolarHBondContact N-O 2.83Å; S369-Q379 PolarHBondContact O-N 3.06Å; S369-Q379 VanDerWaalsContact OG-CG 3.24Å; S369-Q379 WeakPolarHBondContact OG-CG 3.37Å; S369-Q379 PolarHBondContact OG-NE2 3.28Å; S369-Q379 PolarHBondContact OG-O 3.4Å
370E87.8Confident86.9Confident119 Ų11953 Ų5356%0.55628%0.278SS*.EExtended strand (participates in β ladder)trans-68.7144.1171.1-67.8179.5-171.700110.2
371V84.7Confident87.4Confident24 Ų2454.8 Ų54.815%0.14529%0.291CS..EExtended strand (participates in β ladder)trans-73.7131.4175.2177.30000109.1K329 N373 D374 Q377 Q379K329-V371 HydrophobicContact CD-CG2 4.42Å; V371-N373 PolarHBondContact O-N 2.8Å; V371-N373 VanDerWaalsContact O-N 3.1Å; V371-D374 CarbonylContact O-C 3.5Å; V371-D374 PolarHBondContact O-N 3.25Å; V371-Q377 HydrophobicContact CB-CB 4.31Å; V371-Q377 HydrophobicContact CG2-CB 3.99Å; V371-Q377 WeakPolarHBondContact CG2-O 3.48Å; V371-Q377 PolarHBondContact N-O 2.98Å; V371-Q379 HydrophobicContact CG2-CB 3.91Å; V371-Q379 HydrophobicContact CG2-CG 4.24Å
372E73.4Confident87.8Confident168 Ų16859.1 Ų59.179%0.78531%0.31SS*.THydrogen-bonded Turntrans-55.5120.2171.8-69.9-177.3173.900109.6
373N74.7Confident87.9Confident174 Ų17461.5 Ų61.593%0.9332%0.323SS*.THydrogen-bonded Turntrans83.82.3-178.5-43.5-64.1000117.5V371V371-N373 PolarHBondContact O-N 2.8Å; V371-N373 VanDerWaalsContact O-N 3.1Å
374D77.3Confident88Confident53 Ų5362.5 Ų62.528%0.28333%0.328SS..EExtended strand (participates in β ladder)trans-144.696.9170.3-171.6-8.4000111.1V371 S376 Q377V371-D374 CarbonylContact O-C 3.5Å; V371-D374 PolarHBondContact O-N 3.25Å; D374-S376 PolarHBondContact O-N 2.75Å; D374-S376 VanDerWaalsContact O-N 3.07Å; D374-S376 WeakPolarHBondContact OD1-CA 3.39Å; D374-S376 WeakPolarHBondContact OD1-CB 3.26Å; D374-S376 PolarHBondContact OD1-N 3.5Å; D374-S376 PolarHBondContact OD1-OG 3.36Å; D374-S376 PolarHBondContact OD2-OG 3.04Å; D374-Q377 HydrophobicContact CB-CB 4.39Å; D374-Q377 PolarHBondContact O-N 2.57Å; D374-Q377 VanDerWaalsContact O-N 3.14Å; D374-Q377 WeakPolarHBondContact OD2-CG 3.48Å
375S72.4Confident88Confident95 Ų9562 Ų6266%0.66433%0.328SS*.EExtended strand (participates in β ladder)trans-68.2-4.1178.766.50000113.7
376S72.4Confident87.9Confident68 Ų6862.3 Ų62.348%0.47633%0.329SS..EExtended strand (participates in β ladder)trans-93.4-16.6175.374.40000113D374D374-S376 PolarHBondContact O-N 2.75Å; D374-S376 VanDerWaalsContact O-N 3.07Å; D374-S376 WeakPolarHBondContact OD1-CA 3.39Å; D374-S376 WeakPolarHBondContact OD1-CB 3.26Å; D374-S376 PolarHBondContact OD1-N 3.5Å; D374-S376 PolarHBondContact OD1-OG 3.36Å; D374-S376 PolarHBondContact OD2-OG 3.04Å
377Q83.6Confident87.7Confident99 Ų9969.6 Ų69.646%0.46336%0.357SS..EExtended strand (participates in β ladder)trans-108.2140.4-179.9-69.7-17210.200111.8V371 D374V371-Q377 HydrophobicContact CB-CB 4.31Å; V371-Q377 HydrophobicContact CG2-CB 3.99Å; V371-Q377 WeakPolarHBondContact CG2-O 3.48Å; V371-Q377 PolarHBondContact N-O 2.98Å; D374-Q377 HydrophobicContact CB-CB 4.39Å; D374-Q377 PolarHBondContact O-N 2.57Å; D374-Q377 VanDerWaalsContact O-N 3.14Å; D374-Q377 WeakPolarHBondContact OD2-CG 3.48Å
378H89.9Confident87.4Confident26 Ų2665.7 Ų65.712%0.1234%0.342CS..EExtended strand (participates in β ladder)trans-114.4146.7177.7-54.290.2000110.2P301 H303 A328 K329 L368 S369P301-H378 WeakPolarHBondContact CG-CD2 3.49Å; P301-H378 WeakPolarHBondContact CG-NE2 3.23Å; H303-H378 AromaticContact CE1-CG 3.61Å; H303-H378 AromaticContact CE1-ND1 3.49Å; H303-H378 PolarHBondContact CE1-ND1 3.31Å; H303-H378 AromaticContact NE2-CG 3.75Å; H303-H378 AromaticContact NE2-ND1 3.61Å; A328-H378 CarbonylContact C-O 3.53Å; A328-H378 WeakPolarHBondContact CA-O 3.38Å; K329-H378 PolarHBondContact N-O 3.34Å; L368-H378 HydrophobicContact CD1-CB 3.67Å; L368-H378 HydrophobicContact CG-CB 4.32Å; S369-H378 CarbonylContact O-C 3.49Å; S369-H378 VanDerWaalsContact O-CA 3.31Å; S369-H378 WeakPolarHBondContact O-CA 3.41Å
379Q92.6Very high86.9Confident51 Ų5170.4 Ų70.424%0.23836%0.362CS..EExtended strand (participates in β ladder)trans-120.7149.4173.967.7-18015.600111.1K329 S369 V371K329-Q379 HydrophobicContact CB-CB 3.84Å; K329-Q379 HydrophobicContact CD-CB 4.26Å; K329-Q379 HydrophobicContact CG-CB 4.34Å; K329-Q379 CarbonylContact O-C 3.56Å; K329-Q379 VanDerWaalsContact O-CA 3.3Å; K329-Q379 WeakPolarHBondContact O-CA 3.39Å; S369-Q379 PolarHBondContact N-O 2.83Å; S369-Q379 PolarHBondContact O-N 3.06Å; S369-Q379 VanDerWaalsContact OG-CG 3.24Å; S369-Q379 WeakPolarHBondContact OG-CG 3.37Å; S369-Q379 PolarHBondContact OG-NE2 3.28Å; S369-Q379 PolarHBondContact OG-O 3.4Å; V371-Q379 HydrophobicContact CG2-CB 3.91Å; V371-Q379 HydrophobicContact CG2-CG 4.24Å
380I94.5Very high86.3Confident3 Ų372 Ų722%0.01536%0.363CS..EExtended strand (participates in β ladder)trans-99.2127.1170.3-55.2-61.3000108.4I319 A328 K329 N330 I355 L366 L368I319-I380 HydrophobicContact CD1-CD1 3.98Å; I319-I380 HydrophobicContact CD1-CG1 3.89Å; I319-I380 HydrophobicContact CD1-CG2 4.49Å; I319-I380 HydrophobicContact CG2-CD1 4.12Å; A328-I380 HydrophobicContact CB-CG1 4.16Å; K329-I380 PolarHBondContact O-N 2.84Å; N330-I380 HydrophobicContact CB-CB 4.45Å; N330-I380 WeakPolarHBondContact CB-O 3.23Å; N330-I380 PolarHBondContact ND2-O 2.97Å; I355-I380 HydrophobicContact CD1-CD1 4.09Å; L366-I380 HydrophobicContact CB-CG2 3.83Å; L366-I380 HydrophobicContact CD1-CG2 4.01Å; L366-I380 HydrophobicContact CG-CG2 4.34Å; L368-I380 HydrophobicContact CB-CD1 4.23Å; L368-I380 HydrophobicContact CD1-CD1 3.44Å; L368-I380 VanDerWaalsContact CD1-CD1 3.44Å; L368-I380 HydrophobicContact CG-CD1 4.45Å
381S94.1Very high85.1Confident47 Ų4773.1 Ų73.133%0.32937%0.369SS..EExtended strand (participates in β ladder)trans-124.7150.3171.658.20000110.1L366 K367L366-S381 CarbonylContact C-O 3.4Å; L366-S381 WeakPolarHBondContact CA-O 3.41Å; K367-S381 PolarHBondContact N-O 2.83Å; K367-S381 PolarHBondContact O-N 2.81Å
382E95.3Very high83.6Confident120 Ų12079.2 Ų79.256%0.56140%0.4SS*.EExtended strand (participates in β ladder)trans-67.7131.9169.2-171.3176.3106.500109.7V385E382-V385 HydrophobicContact CG-CG2 3.82Å; E382-V385 VanDerWaalsContact OE1-CG2 3.27Å; E382-V385 WeakPolarHBondContact OE1-CG2 3.42Å; E382-V385 WeakPolarHBondContact OE2-CG2 3.42Å
383D94.6Very high82.6Confident64 Ų6477.6 Ų77.634%0.34239%0.387SS..EExtended strand (participates in β ladder)trans-94.2-58.1174-161.521000109.1R354 V365 K367R354-D383 WeakPolarHBondContact CD-OD2 3.41Å; R354-D383 IonicContact NH1-OD2 2.87Å; V365-D383 HydrophobicContact CG1-CB 4.32Å; V365-D383 VanDerWaalsContact O-CB 3.31Å; V365-D383 WeakPolarHBondContact O-CB 3.49Å; V365-D383 PolarHBondContact O-N 2.88Å; K367-D383 HydrophobicContact CB-CB 4.24Å
384F95.8Very high81.2Confident21 Ų2177.8 Ų77.89%0.09238%0.38CS..EExtended strand (participates in β ladder)trans-156.3166.3170.761.1-97.6000111.8V365 I386 L435 N456V365-F384 HydrophobicContact CB-CD1 4.2Å; V365-F384 HydrophobicContact CB-CD2 4.07Å; V365-F384 HydrophobicContact CB-CE1 3.92Å; V365-F384 HydrophobicContact CB-CE2 3.78Å; V365-F384 HydrophobicContact CB-CG 4.29Å; V365-F384 HydrophobicContact CB-CZ 3.71Å; V365-F384 HydrophobicContact CG1-CD1 4.44Å; V365-F384 HydrophobicContact CG1-CE1 3.9Å; V365-F384 HydrophobicContact CG1-CZ 3.97Å; V365-F384 HydrophobicContact CG2-CD2 3.98Å; V365-F384 HydrophobicContact CG2-CE1 4.16Å; V365-F384 HydrophobicContact CG2-CE2 3.31Å; V365-F384 HydrophobicContact CG2-CZ 3.43Å; V365-F384 VanDerWaalsContact CG2-CZ 3.43Å; V365-F384 PolarHBondContact N-O 3.19Å; V365-F384 PolarHBondContact O-N 2.99Å; F384-I386 HydrophobicContact CD2-CG1 4.31Å; F384-I386 HydrophobicContact CE2-CD1 4.14Å; F384-I386 HydrophobicContact CE2-CG1 4.25Å; F384-L435 HydrophobicContact CE2-CD2 4.44Å; F384-N456 VanDerWaalsContact CE1-O 3.29Å; F384-N456 WeakPolarHBondContact CE1-O 3.49Å; F384-N456 WeakPolarHBondContact CZ-O 3.25Å
385V95.4Very high79.6Confident29 Ų2981.7 Ų81.718%0.17640%0.396CS..EExtended strand (participates in β ladder)trans-129136.2177.9-171.90000110.2Q362 V363 K364 E382 W387Q362-V385 HydrophobicContact CB-CG1 4.04Å; V363-V385 WeakPolarHBondContact O-CA 3.24Å; K364-V385 HydrophobicContact CG-CG1 4.2Å; K364-V385 HydrophobicContact CG-CG2 4.06Å; E382-V385 HydrophobicContact CG-CG2 3.82Å; E382-V385 VanDerWaalsContact OE1-CG2 3.27Å; E382-V385 WeakPolarHBondContact OE1-CG2 3.42Å; E382-V385 WeakPolarHBondContact OE2-CG2 3.42Å; V385-W387 HydrophobicContact CG1-CD2 4.14Å; V385-W387 HydrophobicContact CG1-CG 4.45Å; V385-W387 HydrophobicContact CG1-CZ2 3.94Å
386I94.4Very high78.3Confident8 Ų881.7 Ų81.74%0.04139%0.389CS..EExtended strand (participates in β ladder)trans-104.1126.2169.8-59.3167.5000107.7Q362 V363 F384 F423 L435 V437 H454Q362-I386 CarbonylContact C-O 3.6Å; Q362-I386 VanDerWaalsContact CA-O 3.25Å; Q362-I386 WeakPolarHBondContact CA-O 3.3Å; V363-I386 HydrophobicContact CB-CB 4.2Å; V363-I386 PolarHBondContact N-O 2.89Å; V363-I386 PolarHBondContact O-N 2.78Å; F384-I386 HydrophobicContact CD2-CG1 4.31Å; F384-I386 HydrophobicContact CE2-CD1 4.14Å; F384-I386 HydrophobicContact CE2-CG1 4.25Å; I386-F423 HydrophobicContact CG2-CZ 4Å; I386-L435 HydrophobicContact CD1-CD2 3.65Å; I386-V437 HydrophobicContact CD1-CG2 4.27Å; I386-H454 HydrophobicContact CD1-CB 4.05Å; I386-H454 VanDerWaalsContact CG2-CE1 3.47Å; I386-H454 WeakPolarHBondContact CG2-CE1 3.48Å
387W91.3Very high77.1Confident158 Ų15883.8 Ų83.860%0.59839%0.394SS*.EExtended strand (participates in β ladder)trans-105.4140.6-178.3-66.997.3000111.1Q362 V385Q362-W387 HydrophobicContact CB-CD2 4.35Å; Q362-W387 HydrophobicContact CB-CE3 3.76Å; Q362-W387 HydrophobicContact CB-CH2 4.38Å; Q362-W387 HydrophobicContact CB-CZ3 3.78Å; Q362-W387 HydrophobicContact CG-CZ3 4.43Å; V385-W387 HydrophobicContact CG1-CD2 4.14Å; V385-W387 HydrophobicContact CG1-CG 4.45Å; V385-W387 HydrophobicContact CG1-CZ2 3.94Å
388A87.6Confident75.5Confident12 Ų1284.1 Ų84.110%0.09940%0.398CS..  trans-67.1140.6168.100000109.8N361 R390 E421 F423N361-A388 WeakPolarHBondContact O-CB 3.48Å; N361-A388 PolarHBondContact O-N 3.31Å; A388-R390 HydrophobicContact CB-CG 4.23Å; A388-R390 PolarHBondContact O-N 2.95Å; A388-E421 VanDerWaalsContact CA-OE2 3.3Å; A388-E421 WeakPolarHBondContact CA-OE2 3.2Å; A388-E421 HydrophobicContact CB-CB 4.14Å; A388-E421 HydrophobicContact CB-CG 4.16Å; A388-F423 HydrophobicContact CB-CE2 3.98Å; A388-F423 HydrophobicContact CB-CZ 3.97Å
389K83.4Confident73.7Confident108 Ų10886.1 Ų86.147%0.4741%0.412SS..  trans-74.193.5174.4-61.5170.2-164.4122.20108.3E421 H450 D452K389-E421 PolarHBondContact N-OE2 3.25Å; K389-E421 WeakPolarHBondContact O-CB 3.34Å; K389-H450 PolarHBondContact NZ-NE2 2.79Å; K389-D452 IonicContact NZ-OD1 3.58Å; K389-D452 IonicContact NZ-OD2 2.76Å; K389-D452 PolarHBondContact NZ-OD2 2.7Å
390R76.6Confident71.8Confident65 Ų6587.7 Ų87.725%0.24543%0.425CS..  trans-109.2138.2176.8-63.5-177.6174.9-161.5-7.6110N361 A388 D415 E421N361-R390 VanDerWaalsContact CB-NH1 3.29Å; A388-R390 HydrophobicContact CB-CG 4.23Å; A388-R390 PolarHBondContact O-N 2.95Å; R390-D415 IonicContact NH1-OD1 3.13Å; R390-D415 PolarHBondContact NH1-OD1 3.1Å; R390-D415 PolarHBondContact NH2-O 3.12Å; R390-E421 PolarHBondContact NE-O 2.83Å; R390-E421 VanDerWaalsContact NE-O 3.13Å; R390-E421 PolarHBondContact NH2-O 2.8Å
391E63.7Low70.1Confident143 Ų14390.3 Ų90.367%0.66844%0.441SS*.  trans-73.2127.2162-71.2-173.816700107.8R393E391-R393 PolarHBondContact O-N 2.91Å
392D53.1Low68.2Low151 Ų15193.9 Ų93.981%0.80747%0.474SS*.  trans-66.573.8172-109-21.4000109.2K394D392-K394 PolarHBondContact O-N 2.88Å
393R51.4Low67.1Low134 Ų13493.1 Ų93.151%0.50648%0.482SS..  trans-75.966168.4-75.3-169.1-176.9174.61.3109E391 E395 E419E391-R393 PolarHBondContact O-N 2.91Å; R393-E395 PolarHBondContact O-N 2.79Å; R393-E419 IonicContact NH1-OE2 3.44Å; R393-E419 PolarHBondContact NH1-OE2 2.86Å
394K46.2Very low65.3Low179 Ų17992.6 Ų92.678%0.77849%0.491SS*.  trans-7348.6152.7-76.1-176.3-178168.70109.6D392 N396D392-K394 PolarHBondContact O-N 2.88Å; K394-N396 PolarHBondContact O-N 2.84Å; K394-N396 VanDerWaalsContact O-N 3.11Å
395E44Very low63.5Low135 Ų135100.4 Ų100.463%0.63152%0.52SS*.  trans-78.298.2165.1-75.2-165.8161.500106.7R393 L397R393-E395 PolarHBondContact O-N 2.79Å; E395-L397 HydrophobicContact CB-CG 4.4Å; E395-L397 PolarHBondContact O-N 2.81Å
396N45.1Very low61.8Low95 Ų95103.2 Ų103.251%0.50854%0.537SS..  trans-57.988.8154.9-70.4-62.2000106.3K394 I398 K408K394-N396 PolarHBondContact O-N 2.84Å; K394-N396 VanDerWaalsContact O-N 3.11Å; N396-I398 PolarHBondContact O-N 2.68Å; N396-K408 WeakPolarHBondContact OD1-CE 3.39Å
397L47Very low59.9Low111 Ų111105.7 Ų105.758%0.58155%0.553SS**  trans-63.989175.5-80.5160.5000107.7E395 T399E395-L397 HydrophobicContact CB-CG 4.4Å; E395-L397 PolarHBondContact O-N 2.81Å; L397-T399 PolarHBondContact O-N 2.88Å; L397-T399 VanDerWaalsContact O-N 3.13Å
398I50.3Low57.9Low106 Ų106104.4 Ų104.454%0.54455%0.551SS.*EExtended strand (participates in β ladder)trans-70.1103.7171.2-71.6164.1000105.7N396 V400 V406N396-I398 PolarHBondContact O-N 2.68Å; I398-V400 HydrophobicContact CG2-CG2 4.36Å; I398-V406 HydrophobicContact CB-CG1 4.46Å; I398-V406 HydrophobicContact CG1-CG1 4.37Å; I398-V406 HydrophobicContact CG2-CB 4.28Å; I398-V406 HydrophobicContact CG2-CG1 3.51Å; I398-V406 HydrophobicContact CG2-CG2 4.04Å
399T50.7Low55.9Low69 Ų69112 Ų11242%0.42358%0.577SS.*EExtended strand (participates in β ladder)trans-95.5124.1172.3-46.30000108L397 V407L397-T399 PolarHBondContact O-N 2.88Å; L397-T399 VanDerWaalsContact O-N 3.13Å; T399-V407 PolarHBondContact N-O 2.86Å; T399-V407 PolarHBondContact O-N 3.38Å
400V52.9Low54.1Low84 Ų84113.4 Ų113.451%0.50959%0.59SS.*EExtended strand (participates in β ladder)trans-92.2120.3174.6-175.90000108I398 R405 V406I398-V400 HydrophobicContact CG2-CG2 4.36Å; V400-R405 WeakPolarHBondContact CA-O 3.41Å; V400-V406 HydrophobicContact CG2-CG2 4.11Å
401T58.4Low52.7Low57 Ų57114.7 Ų114.735%0.3561%0.605SS.*PPolyproline II helixtrans-68.7160.3173.360.90000110.1S403 G404 R405 V407T401-S403 PolarHBondContact O-N 3.06Å; T401-S403 PolarHBondContact OG1-OG 3.26Å; T401-G404 PolarHBondContact O-N 3.25Å; T401-R405 PolarHBondContact N-O 3.49Å; T401-R405 WeakPolarHBondContact OG1-CB 3.45Å; T401-R405 PolarHBondContact OG1-N 3.43Å; T401-R405 PolarHBondContact OG1-O 2.66Å; T401-V407 HydrophobicContact CG2-CG2 4Å
402A54.2Low52.3Low123 Ų123112.3 Ų112.3100%1.01760%0.604SS**THydrogen-bonded Turntrans-56.2-13178.600000115
403S72Confident52.8Low104 Ų104109.3 Ų109.373%0.72759%0.588SS**THydrogen-bonded Turntrans-92.3417359.70000114.9T401T401-S403 PolarHBondContact O-N 3.06Å; T401-S403 PolarHBondContact OG1-OG 3.26Å
404G58.8Low53.6Low53 Ų53106.3 Ų106.355%0.54658%0.581SS.*SBendtrans83.26.1-178.500000115.1T401 V406T401-G404 PolarHBondContact O-N 3.25Å; G404-V406 PolarHBondContact O-N 3.08Å
405R57.5Low54.7Low184 Ų18499.3 Ų99.369%0.69455%0.552SS**  trans-80.2121.5179.2-170.6179.2-179.7172.30.5110.3V400 T401 V407V400-R405 WeakPolarHBondContact CA-O 3.41Å; T401-R405 PolarHBondContact N-O 3.49Å; T401-R405 WeakPolarHBondContact OG1-CB 3.45Å; T401-R405 PolarHBondContact OG1-N 3.43Å; T401-R405 PolarHBondContact OG1-O 2.66Å; R405-V407 PolarHBondContact O-N 3.27Å
406V59.6Low55.8Low88 Ų8894 Ų9453%0.53353%0.528SS..EExtended strand (participates in β ladder)trans-73.6116.1170.4167.50000109.1I398 V400 G404I398-V406 HydrophobicContact CB-CG1 4.46Å; I398-V406 HydrophobicContact CG1-CG1 4.37Å; I398-V406 HydrophobicContact CG2-CB 4.28Å; I398-V406 HydrophobicContact CG2-CG1 3.51Å; I398-V406 HydrophobicContact CG2-CG2 4.04Å; V400-V406 HydrophobicContact CG2-CG2 4.11Å; G404-V406 PolarHBondContact O-N 3.08Å
407V53.5Low57Low61 Ų6191.2 Ų91.237%0.3751%0.513SS..EExtended strand (participates in β ladder)trans-107120.2171.9-179.20000108.2T399 T401 R405 R409T399-V407 PolarHBondContact N-O 2.86Å; T399-V407 PolarHBondContact O-N 3.38Å; T401-V407 HydrophobicContact CG2-CG2 4Å; R405-V407 PolarHBondContact O-N 3.27Å; V407-R409 PolarHBondContact O-N 3.33Å
408K50.7Low58.2Low131 Ų13189.2 Ų89.257%0.5751%0.507SS*.EExtended strand (participates in β ladder)trans-79.2104.5170.4-159.2178-174.7-176.60107.5N396 N410N396-K408 WeakPolarHBondContact OD1-CE 3.39Å; K408-N410 PolarHBondContact O-N 3.3Å
409R45.6Very low59.2Low170 Ų17089.4 Ų89.464%0.64251%0.506SS*.  trans-82.7100.9177.6-139.5-177.8-176.1170.5-0.7107.6V407 V411V407-R409 PolarHBondContact O-N 3.33Å; R409-V411 HydrophobicContact CB-CG2 4.36Å; R409-V411 HydrophobicContact CG-CG2 3.82Å; R409-V411 PolarHBondContact O-N 2.75Å
410N44.4Very low60.4Low139 Ų13987.4 Ų87.474%0.74349%0.491SS*.  trans-78.576.3165.9-76.21.3000107.6K408 S412K408-N410 PolarHBondContact O-N 3.3Å; N410-S412 PolarHBondContact O-N 3.38Å
411V48.7Very low61.8Low91 Ų9184 Ų8455%0.55247%0.47SS*.  trans-82.8106.6162.5-175.80000104.8R409 L413R409-V411 HydrophobicContact CB-CG2 4.36Å; R409-V411 HydrophobicContact CG-CG2 3.82Å; R409-V411 PolarHBondContact O-N 2.75Å; V411-L413 VanDerWaalsContact C-N 3.25Å; V411-L413 PolarHBondContact O-N 2.83Å
412S54.2Low63Low94 Ų9481.9 Ų81.966%0.65746%0.457SS*.  trans-65.796.5162.550.30000106.3N410 L414N410-S412 PolarHBondContact O-N 3.38Å; S412-L414 PolarHBondContact O-N 2.9Å
413L62.8Low64.5Low88 Ų8876.3 Ų76.346%0.46141%0.41SS..  trans-54.5134.2167.7-75.2155.5000107.3V411 D417V411-L413 VanDerWaalsContact C-N 3.25Å; V411-L413 PolarHBondContact O-N 2.83Å; L413-D417 VanDerWaalsContact CD2-OD2 3.25Å; L413-D417 WeakPolarHBondContact CD2-OD2 3.48Å
414L69.1Low65Low70 Ų7074 Ų7437%0.36639%0.387SS..  trans-69.2147.3176-63.8172000108.7C338 L340 S412 D416 D417C338-L414 HydrophobicContact CB-CD2 4.38Å; C338-L414 CarbonylContact O-C 3.6Å; C338-L414 VanDerWaalsContact O-CA 3.25Å; C338-L414 WeakPolarHBondContact O-CA 3.38Å; C338-L414 WeakPolarHBondContact O-CB 3.23Å; C338-L414 WeakPolarHBondContact O-CD2 3.45Å; L340-L414 HydrophobicContact CD1-CD1 4.18Å; L340-L414 HydrophobicContact CD2-CD1 4.35Å; L340-L414 HydrophobicContact CG-CD1 3.98Å; S412-L414 PolarHBondContact O-N 2.9Å; L414-D416 VanDerWaalsContact CB-OD1 3.24Å; L414-D416 WeakPolarHBondContact CB-OD1 3.24Å; L414-D416 PolarHBondContact O-N 2.85Å; L414-D417 VanDerWaalsContact O-CB 3.26Å; L414-D417 WeakPolarHBondContact O-CB 3.48Å; L414-D417 PolarHBondContact O-N 3.43Å
415D69.8Low66.2Low33 Ų3372.8 Ų72.818%0.17637%0.367CS..THydrogen-bonded Turntrans-67-18.1176-77.7-55.7000112.4C337 C338 P360 R390 T422C337-D415 VanDerWaalsContact CA-OD2 3.25Å; C337-D415 WeakPolarHBondContact CA-OD2 3.48Å; C337-D415 HydrophobicContact CB-CB 4.39Å; C337-D415 WeakPolarHBondContact CB-OD2 3.47Å; C338-D415 PolarHBondContact N-OD2 3.32Å; C338-D415 PolarHBondContact O-N 2.9Å; P360-D415 HydrophobicContact CB-CB 4.06Å; P360-D415 HydrophobicContact CG-CB 3.59Å; R390-D415 IonicContact NH1-OD1 3.13Å; R390-D415 PolarHBondContact NH1-OD1 3.1Å; R390-D415 PolarHBondContact NH2-O 3.12Å; D415-T422 WeakPolarHBondContact O-CG2 3.48Å
416D65.8Low67.5Low24 Ų2464.7 Ų64.713%0.12834%0.338CS..THydrogen-bonded Turntrans-10322.5172.162.8-13.4000113.7S339 L340 E341 L414 T422S339-D416 WeakPolarHBondContact CA-OD1 3.45Å; S339-D416 VanDerWaalsContact OG-CB 3.31Å; S339-D416 WeakPolarHBondContact OG-CB 3.36Å; S339-D416 PolarHBondContact OG-OD2 2.62Å; L340-D416 WeakPolarHBondContact CA-OD2 3.38Å; L340-D416 VanDerWaalsContact CB-OD2 3.28Å; L340-D416 WeakPolarHBondContact CB-OD2 3.1Å; L340-D416 PolarHBondContact N-OD1 2.81Å; L340-D416 PolarHBondContact N-OD2 3.08Å; E341-D416 PolarHBondContact N-OD2 3.43Å; L414-D416 VanDerWaalsContact CB-OD1 3.24Å; L414-D416 WeakPolarHBondContact CB-OD1 3.24Å; L414-D416 PolarHBondContact O-N 2.85Å; D416-T422 HydrophobicContact CB-CG2 4.33Å
417D72.1Confident68.8Low36 Ų3662.1 Ų62.119%0.19332%0.321CS..  trans-54.9130.1170.1-165.9-55.3000109.7L413 L414 E419 Q420L413-D417 VanDerWaalsContact CD2-OD2 3.25Å; L413-D417 WeakPolarHBondContact CD2-OD2 3.48Å; L414-D417 VanDerWaalsContact O-CB 3.26Å; L414-D417 WeakPolarHBondContact O-CB 3.48Å; L414-D417 PolarHBondContact O-N 3.43Å; D417-E419 PolarHBondContact O-N 2.84Å; D417-E419 VanDerWaalsContact O-N 3.11Å; D417-E419 WeakPolarHBondContact OD1-CB 3.32Å; D417-E419 PolarHBondContact OD1-N 2.89Å; D417-Q420 HydrophobicContact CB-CG 4.22Å; D417-Q420 WeakPolarHBondContact O-CB 3.37Å; D417-Q420 PolarHBondContact O-N 3Å
418P70.6Confident70.4Confident69 Ų6960.3 Ų60.345%0.44831%0.308SS..THydrogen-bonded Turntrans-53.8-29.8177.7-25.432.9000114.2Q420 Q442P418-Q420 PolarHBondContact O-N 2.71Å; P418-Q442 HydrophobicContact CB-CB 3.92Å; P418-Q442 HydrophobicContact CB-CG 4.14Å; P418-Q442 CarbonylContact O-C 3.52Å; P418-Q442 VanDerWaalsContact O-CA 3.26Å; P418-Q442 WeakPolarHBondContact O-CA 3.42Å; P418-Q442 WeakPolarHBondContact O-CB 3.43Å; P418-Q442 PolarHBondContact O-N 3.02Å
419E71.8Confident72.1Confident110 Ų11054.2 Ų54.251%0.51428%0.282SS..THydrogen-bonded Turntrans-70.3-12.5177.3-63.5-171.1-174.500113.1R393 D417R393-E419 IonicContact NH1-OE2 3.44Å; R393-E419 PolarHBondContact NH1-OE2 2.86Å; D417-E419 PolarHBondContact O-N 2.84Å; D417-E419 VanDerWaalsContact O-N 3.11Å; D417-E419 WeakPolarHBondContact OD1-CB 3.32Å; D417-E419 PolarHBondContact OD1-N 2.89Å
420Q76.3Confident73.8Confident26 Ų2650.3 Ų50.312%0.12127%0.274CS..SBendtrans-104.1151.9-179.5-64.8-65.6-36.100112D417 P418 T422D417-Q420 HydrophobicContact CB-CG 4.22Å; D417-Q420 WeakPolarHBondContact O-CB 3.37Å; D417-Q420 PolarHBondContact O-N 3Å; P418-Q420 PolarHBondContact O-N 2.71Å; Q420-T422 PolarHBondContact O-N 2.76Å
421E81Confident75.7Confident13 Ų1346.8 Ų46.86%0.06125%0.253CS..  trans-69.3126.3171.6-169.3174.5-81.700110.5A388 K389 R390 A439 V440 T441 H450A388-E421 VanDerWaalsContact CA-OE2 3.3Å; A388-E421 WeakPolarHBondContact CA-OE2 3.2Å; A388-E421 HydrophobicContact CB-CB 4.14Å; A388-E421 HydrophobicContact CB-CG 4.16Å; K389-E421 PolarHBondContact N-OE2 3.25Å; K389-E421 WeakPolarHBondContact O-CB 3.34Å; R390-E421 PolarHBondContact NE-O 2.83Å; R390-E421 VanDerWaalsContact NE-O 3.13Å; R390-E421 PolarHBondContact NH2-O 2.8Å; E421-A439 HydrophobicContact CG-CB 3.84Å; E421-V440 WeakPolarHBondContact CA-O 3.47Å; E421-T441 HydrophobicContact CB-CG2 3.46Å; E421-T441 VanDerWaalsContact CB-CG2 3.46Å; E421-T441 HydrophobicContact CG-CG2 3.73Å; E421-H450 VanDerWaalsContact CD-CE1 3.44Å; E421-H450 IonicContact OE1-CE1 4Å; E421-H450 PolarHBondContact OE1-CE1 2.71Å; E421-H450 IonicContact OE1-ND1 2.68Å; E421-H450 IonicContact OE1-NE2 2.93Å; E421-H450 IonicContact OE2-CE1 3.51Å
422T84.6Confident77.5Confident12 Ų1242.8 Ų42.87%0.07423%0.228CC..EExtended strand (participates in β ladder)trans-128.2137.6179.756.60000111.9P360 D415 D416 Q420 K424 A439 V440P360-T422 VanDerWaalsContact O-CA 3.27Å; P360-T422 WeakPolarHBondContact O-CA 3.42Å; D415-T422 WeakPolarHBondContact O-CG2 3.48Å; D416-T422 HydrophobicContact CB-CG2 4.33Å; Q420-T422 PolarHBondContact O-N 2.76Å; T422-K424 WeakPolarHBondContact OG1-CE 2.98Å; T422-A439 VanDerWaalsContact O-CA 3.3Å; T422-A439 WeakPolarHBondContact O-CA 3.46Å; T422-V440 PolarHBondContact N-O 3.35Å; T422-V440 PolarHBondContact O-N 2.86Å
423F85.7Confident79.1Confident6 Ų640.7 Ų40.73%0.02621%0.21CC..EExtended strand (participates in β ladder)trans-74.2132.5172.2-64.7-54.5000110.7V358 P360 V363 I386 A388 V437 A439V358-F423 HydrophobicContact CG1-CB 4.36Å; P360-F423 PolarHBondContact O-N 2.97Å; V363-F423 HydrophobicContact CG2-CD2 3.68Å; V363-F423 HydrophobicContact CG2-CE2 3.88Å; V363-F423 HydrophobicContact CG2-CG 4.01Å; V363-F423 HydrophobicContact CG2-CZ 4.39Å; I386-F423 HydrophobicContact CG2-CZ 4Å; A388-F423 HydrophobicContact CB-CE2 3.98Å; A388-F423 HydrophobicContact CB-CZ 3.97Å; F423-V437 HydrophobicContact CD1-CG1 3.22Å; F423-V437 HydrophobicContact CE1-CG1 3.38Å; F423-V437 HydrophobicContact CG-CG1 4.23Å; F423-V437 HydrophobicContact CZ-CG1 4.45Å; F423-A439 HydrophobicContact CD1-CB 3.87Å; F423-A439 HydrophobicContact CE1-CB 4.05Å
424K82.1Confident80.5Confident57 Ų5736.5 Ų36.525%0.24819%0.188CC..EExtended strand (participates in β ladder)trans-118-33178.9-66.1-61176.9-175.90113.2E341 T422 V438 V440 W471E341-K424 VanDerWaalsContact CD-NZ 3.34Å; E341-K424 IonicContact OE1-NZ 3.52Å; E341-K424 PolarHBondContact OE1-NZ 2.82Å; E341-K424 IonicContact OE2-NZ 3.98Å; E341-K424 PolarHBondContact OE2-NZ 3.49Å; T422-K424 WeakPolarHBondContact OG1-CE 2.98Å; K424-V438 PolarHBondContact N-O 2.68Å; K424-V440 HydrophobicContact CB-CG2 4.39Å; K424-V440 HydrophobicContact CG-CB 4.34Å; K424-V440 HydrophobicContact CG-CG2 3.73Å; K424-W471 HydrophobicContact CB-CZ2 4.01Å; K424-W471 HydrophobicContact CG-CZ2 4.41Å
425I83.6Confident81.5Confident26 Ų2633.2 Ų33.213%0.13317%0.17CC..EExtended strand (participates in β ladder)trans-138.2134.1179.4-54.1175.6000108.7D427 V437 V438 W471 L481I425-D427 HydrophobicContact CG2-CB 4.44Å; I425-V437 CarbonylContact O-C 3.46Å; I425-V437 WeakPolarHBondContact O-CA 3.45Å; I425-V438 HydrophobicContact CB-CB 3.95Å; I425-V438 HydrophobicContact CB-CG2 4.05Å; I425-V438 HydrophobicContact CD1-CB 4.47Å; I425-V438 HydrophobicContact CD1-CG2 4.32Å; I425-V438 HydrophobicContact CG1-CB 4.35Å; I425-V438 PolarHBondContact N-O 3.35Å; I425-V438 PolarHBondContact O-N 3.24Å; I425-W471 HydrophobicContact CD1-CH2 3.95Å; I425-L481 HydrophobicContact CD1-CB 3.77Å
426V86.1Confident82.5Confident14 Ų1431.6 Ų31.69%0.08516%0.162CC..EExtended strand (participates in β ladder)trans-131.8117.8169.5-179.10000106.6Y346 I356 V358 V363 L435 S436 V437Y346-V426 PolarHBondContact OH-O 2.93Å; Y346-V426 VanDerWaalsContact OH-O 3.1Å; I356-V426 HydrophobicContact CG2-CG1 4.1Å; V358-V426 HydrophobicContact CB-CG2 4.47Å; V358-V426 HydrophobicContact CG1-CG2 3.86Å; V358-V426 HydrophobicContact CG2-CB 3.97Å; V358-V426 HydrophobicContact CG2-CG1 4.38Å; V358-V426 HydrophobicContact CG2-CG2 3.74Å; V363-V426 HydrophobicContact CG1-CG1 4.19Å; V363-V426 HydrophobicContact CG1-CG2 4.39Å; V363-V426 HydrophobicContact CG2-CG2 3.72Å; V426-L435 HydrophobicContact CG1-CD1 3.82Å; V426-L435 HydrophobicContact CG1-CD2 4.47Å; V426-L435 HydrophobicContact CG1-CG 4.28Å; V426-S436 WeakPolarHBondContact CA-O 3.39Å; V426-V437 HydrophobicContact CG1-CG2 4.47Å; V426-V437 HydrophobicContact CG2-CG1 4.45Å; V426-V437 HydrophobicContact CG2-CG2 4.46Å
427D86.7Confident83.6Confident34 Ų3430.5 Ų30.518%0.18216%0.156CC..EExtended strand (participates in β ladder)trans-137.8143.1-174.6-16614.1000111I425 S436 S482 C483I425-D427 HydrophobicContact CG2-CB 4.44Å; D427-S436 PolarHBondContact N-O 2.87Å; D427-S436 PolarHBondContact O-N 3.46Å; D427-S482 WeakPolarHBondContact OD2-CA 3.16Å; D427-S482 WeakPolarHBondContact OD2-CB 3.49Å; D427-S482 PolarHBondContact OD2-OG 3.31Å; D427-C483 HydrophobicContact CB-CB 3.98Å; D427-C483 PolarHBondContact OD2-N 2.53Å
428Y87.3Confident84.3Confident23 Ų2329.2 Ų29.29%0.0915%0.15CC..EExtended strand (participates in β ladder)trans-101.4123.2177.5173.9-111.9000110.4H348 P349 D350 D430 D433 N456 K484H348-Y428 AromaticContact CE1-CD1 3.92Å; H348-Y428 AromaticContact CE1-CD2 3.58Å; H348-Y428 AromaticContact CE1-CE2 3.89Å; H348-Y428 AromaticContact CE1-CG 3.58Å; H348-Y428 AromaticContact NE2-CD2 3.84Å; H348-Y428 AromaticContact NE2-CG 3.98Å; P349-Y428 HydrophobicContact CG-CD1 3.59Å; P349-Y428 HydrophobicContact CG-CG 4.1Å; D350-Y428 HydrophobicContact CB-CE1 3.76Å; Y428-D430 HydrophobicContact CD1-CB 4.19Å; Y428-D430 HydrophobicContact CE1-CB 3.63Å; Y428-D433 WeakPolarHBondContact CE2-OD1 3.47Å; Y428-D433 PolarHBondContact OH-OD1 3.34Å; Y428-N456 HydrophobicContact CD2-CB 4.37Å; Y428-N456 HydrophobicContact CE2-CB 3.9Å; Y428-N456 VanDerWaalsContact CE2-CG 3.42Å; Y428-N456 WeakPolarHBondContact CE2-ND2 3.3Å; Y428-K484 WeakPolarHBondContact O-CE 3.19Å
429E85.5Confident85Confident3 Ų326 Ų261%0.01413%0.129CC..EExtended strand (participates in β ladder)trans-99.9112.7173.1-151.4-62.8130.800108.9E431 L432 D433 L434 L487E429-E431 PolarHBondContact OE1-N 2.86Å; E429-E431 PolarHBondContact OE2-N 2.81Å; E429-E431 VanDerWaalsContact OE2-N 3.14Å; E429-L432 VanDerWaalsContact OE2-CB 3.28Å; E429-L432 WeakPolarHBondContact OE2-CB 3.36Å; E429-L432 WeakPolarHBondContact OE2-CG 3.45Å; E429-L432 PolarHBondContact OE2-N 2.9Å; E429-D433 WeakPolarHBondContact O-CA 3.4Å; E429-D433 PolarHBondContact O-N 2.8Å; E429-L434 PolarHBondContact N-O 3.06Å; E429-L434 PolarHBondContact O-N 2.84Å; E429-L434 VanDerWaalsContact O-N 3.1Å; E429-L487 HydrophobicContact CB-CD1 3.74Å; E429-L487 HydrophobicContact CG-CB 4.02Å; E429-L487 HydrophobicContact CG-CD1 3.61Å; E429-L487 HydrophobicContact CG-CG 4.3Å
430D82.4Confident85.5Confident88 Ų8821.1 Ų21.147%0.47111%0.106SC..THydrogen-bonded Turntrans-79.9-27.8-168.451.4-56.2000113.8Y428 K484Y428-D430 HydrophobicContact CD1-CB 4.19Å; Y428-D430 HydrophobicContact CE1-CB 3.63Å; D430-K484 IonicContact OD1-NZ 3.85Å; D430-K484 PolarHBondContact OD1-NZ 3.11Å
431E82.9Confident85.5Confident65 Ų6520.7 Ų20.730%0.30411%0.106SC..THydrogen-bonded Turntrans-73.9-37-179.8-62.2-165.115500112.8L33 E429 Y488L33-E431 HydrophobicContact CD2-CB 4.06Å; E429-E431 PolarHBondContact OE1-N 2.86Å; E429-E431 PolarHBondContact OE2-N 2.81Å; E429-E431 VanDerWaalsContact OE2-N 3.14Å; E431-Y488 PolarHBondContact OE1-OH 3.37Å
432L86.6Confident84.8Confident7 Ų723.8 Ų23.84%0.03712%0.12CC..THydrogen-bonded Turntrans-100-7.6-178.6-58.5-177.5000113L33 L36 R37 V40 E429 L434 L487L33-L432 HydrophobicContact CD2-CD2 4.4Å; L36-L432 HydrophobicContact CB-CD2 4.16Å; L36-L432 HydrophobicContact CD2-CD2 3.74Å; L36-L432 HydrophobicContact CG-CD2 3.9Å; R37-L432 HydrophobicContact CB-CD2 4.14Å; R37-L432 WeakPolarHBondContact CD-O 3.48Å; R37-L432 PolarHBondContact NE-O 3.37Å; V40-L432 HydrophobicContact CG2-CD1 4.46Å; E429-L432 VanDerWaalsContact OE2-CB 3.28Å; E429-L432 WeakPolarHBondContact OE2-CB 3.36Å; E429-L432 WeakPolarHBondContact OE2-CG 3.45Å; E429-L432 PolarHBondContact OE2-N 2.9Å; L432-L434 HydrophobicContact CB-CD1 3.77Å; L432-L434 HydrophobicContact CB-CG 3.85Å; L432-L434 HydrophobicContact CD1-CD1 4.09Å; L432-L487 HydrophobicContact CD1-CD2 4.42Å
433D89.3Confident83.5Confident51 Ų5128.7 Ų28.727%0.27314%0.144SC..THydrogen-bonded Turntrans5357.5-175.9-168.948.2000111.5Y428 E429 N456Y428-D433 WeakPolarHBondContact CE2-OD1 3.47Å; Y428-D433 PolarHBondContact OH-OD1 3.34Å; E429-D433 WeakPolarHBondContact O-CA 3.4Å; E429-D433 PolarHBondContact O-N 2.8Å; D433-N456 WeakPolarHBondContact OD1-CB 3.39Å; D433-N456 PolarHBondContact OD1-ND2 2.82Å
434L90.6Very high81.9Confident0 Ų032.5 Ų32.50%017%0.165CC..EExtended strand (participates in β ladder)trans-124.3135.4-177-66.1177.9000110.5R37 E429 L432 F453 L462R37-L434 HydrophobicContact CG-CD2 4.33Å; E429-L434 PolarHBondContact N-O 3.06Å; E429-L434 PolarHBondContact O-N 2.84Å; E429-L434 VanDerWaalsContact O-N 3.1Å; L432-L434 HydrophobicContact CB-CD1 3.77Å; L432-L434 HydrophobicContact CB-CG 3.85Å; L432-L434 HydrophobicContact CD1-CD1 4.09Å; L434-F453 HydrophobicContact CD1-CG 4.47Å; L434-L462 HydrophobicContact CD2-CD1 3.49Å; L434-L462 VanDerWaalsContact CD2-CD1 3.49Å
435L91.6Very high80.5Confident0 Ų035.4 Ų35.40%020%0.2CC..EExtended strand (participates in β ladder)trans-93.1120.2166.5-172.470.6000108.2I356 F384 I386 V426 V437 H454I356-L435 HydrophobicContact CD1-CD1 3.97Å; F384-L435 HydrophobicContact CE2-CD2 4.44Å; I386-L435 HydrophobicContact CD1-CD2 3.65Å; V426-L435 HydrophobicContact CG1-CD1 3.82Å; V426-L435 HydrophobicContact CG1-CD2 4.47Å; V426-L435 HydrophobicContact CG1-CG 4.28Å; L435-V437 HydrophobicContact CG-CG2 4.41Å; L435-H454 HydrophobicContact CB-CB 4.19Å; L435-H454 PolarHBondContact N-O 2.96Å; L435-H454 PolarHBondContact O-N 3.35Å
436S89.9Confident79.2Confident0 Ų041 Ų410%023%0.225CC..EExtended strand (participates in β ladder)trans-104.6124.7-176.8-58.80000109.6V426 D427 D452 L487V426-S436 WeakPolarHBondContact CA-O 3.39Å; D427-S436 PolarHBondContact N-O 2.87Å; D427-S436 PolarHBondContact O-N 3.46Å; S436-D452 WeakPolarHBondContact CA-O 3.27Å; S436-L487 VanDerWaalsContact OG-CD1 3.23Å; S436-L487 WeakPolarHBondContact OG-CD1 3.32Å
437V89.3Confident78.2Confident1 Ų140.7 Ų40.71%0.00623%0.225CC..EExtended strand (participates in β ladder)trans-124.2123.9-175.4-178.30000109.2I386 F423 I425 V426 L435 L451 D452I386-V437 HydrophobicContact CD1-CG2 4.27Å; F423-V437 HydrophobicContact CD1-CG1 3.22Å; F423-V437 HydrophobicContact CE1-CG1 3.38Å; F423-V437 HydrophobicContact CG-CG1 4.23Å; F423-V437 HydrophobicContact CZ-CG1 4.45Å; I425-V437 CarbonylContact O-C 3.46Å; I425-V437 WeakPolarHBondContact O-CA 3.45Å; V426-V437 HydrophobicContact CG1-CG2 4.47Å; V426-V437 HydrophobicContact CG2-CG1 4.45Å; V426-V437 HydrophobicContact CG2-CG2 4.46Å; L435-V437 HydrophobicContact CG-CG2 4.41Å; V437-L451 WeakPolarHBondContact O-CA 3.35Å; V437-D452 PolarHBondContact N-O 3.23Å; V437-D452 PolarHBondContact O-N 3.38Å
438V87Confident77.7Confident9 Ų944.5 Ų44.56%0.05524%0.24CC..EExtended strand (participates in β ladder)trans-102.6121.3171.5-176.70000108.6K424 I425 H450 L451 W471K424-V438 PolarHBondContact N-O 2.68Å; I425-V438 HydrophobicContact CB-CB 3.95Å; I425-V438 HydrophobicContact CB-CG2 4.05Å; I425-V438 HydrophobicContact CD1-CB 4.47Å; I425-V438 HydrophobicContact CD1-CG2 4.32Å; I425-V438 HydrophobicContact CG1-CB 4.35Å; I425-V438 PolarHBondContact N-O 3.35Å; I425-V438 PolarHBondContact O-N 3.24Å; V438-H450 WeakPolarHBondContact CA-O 3.31Å; V438-L451 HydrophobicContact CG2-CD1 3.9Å; V438-W471 HydrophobicContact CG1-CE3 4.41Å; V438-W471 HydrophobicContact CG1-CH2 3.7Å; V438-W471 HydrophobicContact CG1-CZ3 3.61Å
439A85.5Confident77.4Confident1 Ų143.6 Ų43.61%0.00824%0.237CC..EExtended strand (participates in β ladder)trans-120.7144.7177.300000110.6E421 T422 F423 A449 H450E421-A439 HydrophobicContact CG-CB 3.84Å; T422-A439 VanDerWaalsContact O-CA 3.3Å; T422-A439 WeakPolarHBondContact O-CA 3.46Å; F423-A439 HydrophobicContact CD1-CB 3.87Å; F423-A439 HydrophobicContact CE1-CB 4.05Å; A439-A449 WeakPolarHBondContact O-CA 3.25Å; A439-H450 VanDerWaalsContact CB-CE1 3.46Å; A439-H450 WeakPolarHBondContact CB-CE1 3.42Å; A439-H450 PolarHBondContact N-O 3.04Å; A439-H450 PolarHBondContact O-N 3.39Å; A439-H450 PolarHBondContact O-ND1 2.94Å
440V81.8Confident77.3Confident7 Ų744.4 Ų44.44%0.04224%0.241CC..EExtended strand (participates in β ladder)trans-125.9136.8-174.2-1750000110E421 T422 K424 K448 A449 W471E421-V440 WeakPolarHBondContact CA-O 3.47Å; T422-V440 PolarHBondContact N-O 3.35Å; T422-V440 PolarHBondContact O-N 2.86Å; K424-V440 HydrophobicContact CB-CG2 4.39Å; K424-V440 HydrophobicContact CG-CB 4.34Å; K424-V440 HydrophobicContact CG-CG2 3.73Å; V440-K448 WeakPolarHBondContact CA-O 3.46Å; V440-A449 HydrophobicContact CG2-CB 4.04Å; V440-W471 HydrophobicContact CG1-CB 3.96Å; V440-W471 HydrophobicContact CG1-CG 3.95Å; V440-W471 HydrophobicContact CG2-CB 4.39Å; V440-W471 HydrophobicContact CG2-CD2 3.63Å; V440-W471 HydrophobicContact CG2-CE3 4.19Å; V440-W471 HydrophobicContact CG2-CG 3.73Å; V440-W471 HydrophobicContact CG2-CZ2 4.3Å
441T76.5Confident77.6Confident18 Ų1840.4 Ų40.411%0.1122%0.22CC..EExtended strand (participates in β ladder)trans-127.2123.4172.751.20000109.1E421 I443 K448E421-T441 HydrophobicContact CB-CG2 3.46Å; E421-T441 VanDerWaalsContact CB-CG2 3.46Å; E421-T441 HydrophobicContact CG-CG2 3.73Å; T441-I443 HydrophobicContact CG2-CD1 4.39Å; T441-I443 PolarHBondContact O-N 3.26Å; T441-K448 PolarHBondContact N-O 3.41Å; T441-K448 PolarHBondContact O-N 3.34Å; T441-K448 VanDerWaalsContact O-O 3.14Å; T441-K448 PolarHBondContact OG1-O 2.87Å
442Q65.6Low77.9Confident77 Ų7737.7 Ų37.736%0.3621%0.207SC..  trans-9863169.2-55.1-170.3-8.200110.3P418 D444P418-Q442 HydrophobicContact CB-CB 3.92Å; P418-Q442 HydrophobicContact CB-CG 4.14Å; P418-Q442 CarbonylContact O-C 3.52Å; P418-Q442 VanDerWaalsContact O-CA 3.26Å; P418-Q442 WeakPolarHBondContact O-CA 3.42Å; P418-Q442 WeakPolarHBondContact O-CB 3.43Å; P418-Q442 PolarHBondContact O-N 3.02Å; Q442-D444 PolarHBondContact O-N 2.84Å
443I57.7Low78.2Confident115 Ų11537.3 Ų37.359%0.5921%0.205SC*.SBendtrans-71.2-22.1174.6-63.9165.4000111T441T441-I443 HydrophobicContact CG2-CD1 4.39Å; T441-I443 PolarHBondContact O-N 3.26Å
444D51.7Low78.4Confident86 Ų8635.4 Ų35.446%0.4620%0.195SC..SBendtrans-130.1173.2180-61.7-49.9000111.4Q442 E446 K448Q442-D444 PolarHBondContact O-N 2.84Å; D444-E446 CarbonylContact O-C 3.6Å; D444-E446 PolarHBondContact O-N 2.96Å; D444-K448 IonicContact OD2-NZ 2.99Å; D444-K448 PolarHBondContact OD2-NZ 2.87Å
445A53.2Low78.5Confident118 Ų11835.9 Ų35.998%0.97520%0.198SC*.SBendtrans-57.6-15.4177.100000114.4
446E56.7Low78.6Confident143 Ų14336 Ų3667%0.66820%0.199SC*.SBendtrans-112.2112172.4-66.1175.3-17600108D444 K448D444-E446 CarbonylContact O-C 3.6Å; D444-E446 PolarHBondContact O-N 2.96Å; E446-K448 PolarHBondContact O-N 3.05Å
447G64.9Low78.7Confident8 Ų840.9 Ų40.98%0.08222%0.221CC..  trans-59.5124.1177.800000111.3S470 W471G447-S470 WeakPolarHBondContact O-CA 3.34Å; G447-W471 PolarHBondContact O-N 3.45Å
448K76Confident78.8Confident114 Ų11447.5 Ų47.550%0.49625%0.247SC..EExtended strand (participates in β ladder)trans-92.8130.7177.4-72.1171.6177.6157.20109.5V440 T441 D444 E446V440-K448 WeakPolarHBondContact CA-O 3.46Å; T441-K448 PolarHBondContact N-O 3.41Å; T441-K448 PolarHBondContact O-N 3.34Å; T441-K448 VanDerWaalsContact O-O 3.14Å; T441-K448 PolarHBondContact OG1-O 2.87Å; D444-K448 IonicContact OD2-NZ 2.99Å; D444-K448 PolarHBondContact OD2-NZ 2.87Å; E446-K448 PolarHBondContact O-N 3.05Å
449A81.5Confident79Confident4 Ų447.6 Ų47.63%0.03325%0.251CS..EExtended strand (participates in β ladder)trans-119.4152.2175.600000110.7A439 V440 L467 W471A439-A449 WeakPolarHBondContact O-CA 3.25Å; V440-A449 HydrophobicContact CG2-CB 4.04Å; A449-L467 HydrophobicContact CB-CB 4.36Å; A449-L467 HydrophobicContact CB-CD1 3.87Å; A449-L467 HydrophobicContact CB-CG 4.4Å; A449-L467 WeakPolarHBondContact O-CB 3.43Å; A449-L467 PolarHBondContact O-N 3.11Å; A449-W471 HydrophobicContact CB-CB 4.12Å; A449-W471 HydrophobicContact CB-CD2 4.18Å; A449-W471 HydrophobicContact CB-CE3 3.6Å; A449-W471 HydrophobicContact CB-CG 4.44Å; A449-W471 HydrophobicContact CB-CZ3 4.35Å
450H84Confident79.4Confident20 Ų2051 Ų519%0.09327%0.271CS..EExtended strand (participates in β ladder)trans-140.6150.2172.261.8-74.5000110.6K389 E421 V438 A439 D452 I465K389-H450 PolarHBondContact NZ-NE2 2.79Å; E421-H450 VanDerWaalsContact CD-CE1 3.44Å; E421-H450 IonicContact OE1-CE1 4Å; E421-H450 PolarHBondContact OE1-CE1 2.71Å; E421-H450 IonicContact OE1-ND1 2.68Å; E421-H450 IonicContact OE1-NE2 2.93Å; E421-H450 IonicContact OE2-CE1 3.51Å; V438-H450 WeakPolarHBondContact CA-O 3.31Å; A439-H450 VanDerWaalsContact CB-CE1 3.46Å; A439-H450 WeakPolarHBondContact CB-CE1 3.42Å; A439-H450 PolarHBondContact N-O 3.04Å; A439-H450 PolarHBondContact O-N 3.39Å; A439-H450 PolarHBondContact O-ND1 2.94Å; H450-D452 IonicContact CD2-OD1 3.6Å; H450-D452 PolarHBondContact CD2-OD1 3.21Å; H450-D452 IonicContact CD2-OD2 3.25Å; H450-D452 IonicContact NE2-OD2 2.9Å; H450-I465 CarbonylContact C-O 3.56Å; H450-I465 VanDerWaalsContact CA-O 3.28Å; H450-I465 WeakPolarHBondContact CA-O 3.3Å; H450-I465 WeakPolarHBondContact CB-O 3.27Å
451L87.3Confident80Confident4 Ų454.7 Ų54.72%0.02129%0.29CS..EExtended strand (participates in β ladder)trans-106120.6176.1171.765.4000108.9V437 V438 F453 I465 F486V437-L451 WeakPolarHBondContact O-CA 3.35Å; V438-L451 HydrophobicContact CG2-CD1 3.9Å; L451-F453 HydrophobicContact CD1-CE1 4.19Å; L451-F453 HydrophobicContact CD2-CE1 3.78Å; L451-F453 HydrophobicContact CD2-CZ 3.67Å; L451-F453 HydrophobicContact CG-CE1 4.01Å; L451-F453 HydrophobicContact CG-CZ 4.24Å; L451-I465 HydrophobicContact CB-CB 4.4Å; L451-I465 HydrophobicContact CD2-CD1 4.2Å; L451-I465 PolarHBondContact N-O 2.76Å; L451-I465 PolarHBondContact O-N 2.8Å; L451-F486 HydrophobicContact CD2-CD1 3.36Å; L451-F486 HydrophobicContact CD2-CE1 3.69Å; L451-F486 HydrophobicContact CD2-CG 4.12Å
452D90.6Very high80.8Confident8 Ų856.5 Ų56.54%0.04330%0.299CS..EExtended strand (participates in β ladder)trans-107.7128.5177.2-78.3-5.5000110.3K389 S436 V437 H450 L461 K463 S464K389-D452 IonicContact NZ-OD1 3.58Å; K389-D452 IonicContact NZ-OD2 2.76Å; K389-D452 PolarHBondContact NZ-OD2 2.7Å; S436-D452 WeakPolarHBondContact CA-O 3.27Å; V437-D452 PolarHBondContact N-O 3.23Å; V437-D452 PolarHBondContact O-N 3.38Å; H450-D452 IonicContact CD2-OD1 3.6Å; H450-D452 PolarHBondContact CD2-OD1 3.21Å; H450-D452 IonicContact CD2-OD2 3.25Å; H450-D452 IonicContact NE2-OD2 2.9Å; D452-L461 HydrophobicContact CB-CD1 3.65Å; D452-K463 WeakPolarHBondContact CA-O 3.42Å; D452-S464 WeakPolarHBondContact OD1-CA 3.45Å; D452-S464 WeakPolarHBondContact OD1-CB 3.28Å; D452-S464 PolarHBondContact OD1-OG 3.25Å
453F91.9Very high82Confident0 Ų053.7 Ų53.70%029%0.286CS..EExtended strand (participates in β ladder)trans-97.9118.8170.9-66.1-42.6000109.8V40 F47 L434 L451 L462 K463 I465 L487V40-F453 HydrophobicContact CG1-CD2 4.18Å; V40-F453 HydrophobicContact CG1-CE2 3.73Å; V40-F453 HydrophobicContact CG1-CZ 4.44Å; F47-F453 HydrophobicContact CZ-CE2 4Å; L434-F453 HydrophobicContact CD1-CG 4.47Å; L451-F453 HydrophobicContact CD1-CE1 4.19Å; L451-F453 HydrophobicContact CD2-CE1 3.78Å; L451-F453 HydrophobicContact CD2-CZ 3.67Å; L451-F453 HydrophobicContact CG-CE1 4.01Å; L451-F453 HydrophobicContact CG-CZ 4.24Å; F453-L462 WeakPolarHBondContact O-CA 3.49Å; F453-L462 WeakPolarHBondContact O-CB 3.39Å; F453-L462 PolarHBondContact O-N 3.07Å; F453-K463 HydrophobicContact CD2-CB 4.34Å; F453-K463 PolarHBondContact N-O 3.43Å; F453-K463 PolarHBondContact O-N 2.73Å; F453-I465 HydrophobicContact CD2-CD1 4Å; F453-I465 HydrophobicContact CE2-CD1 3.41Å; F453-I465 VanDerWaalsContact CE2-CD1 3.41Å; F453-I465 HydrophobicContact CZ-CD1 3.98Å; F453-L487 HydrophobicContact CD1-CD2 4.42Å; F453-L487 HydrophobicContact CE1-CD1 3.99Å; F453-L487 HydrophobicContact CE1-CD2 3.48Å; F453-L487 VanDerWaalsContact CE1-CD2 3.48Å; F453-L487 HydrophobicContact CE1-CG 3.97Å; F453-L487 HydrophobicContact CE2-CD2 4.31Å; F453-L487 HydrophobicContact CZ-CD2 3.41Å; F453-L487 VanDerWaalsContact CZ-CD2 3.41Å; F453-L487 HydrophobicContact CZ-CG 4.12Å
454H93.4Very high83.5Confident10 Ų1050.9 Ų50.95%0.04628%0.276CS..EExtended strand (participates in β ladder)trans-107.2147.4175.8-66.6-102.5000110.6I386 L435 N456 G459 T460I386-H454 HydrophobicContact CD1-CB 4.05Å; I386-H454 VanDerWaalsContact CG2-CE1 3.47Å; I386-H454 WeakPolarHBondContact CG2-CE1 3.48Å; L435-H454 HydrophobicContact CB-CB 4.19Å; L435-H454 PolarHBondContact N-O 2.96Å; L435-H454 PolarHBondContact O-N 3.35Å; H454-N456 PolarHBondContact O-N 3.04Å; H454-G459 PolarHBondContact ND1-O 2.93Å; H454-T460 WeakPolarHBondContact CA-O 3.37Å
455C93.1Very high85.2Confident10 Ų1047.3 Ų47.37%0.06826%0.257CS..EExtended strand (participates in β ladder)trans-66.4121.4168.7-170.90000108.7R37 E457 Y458 G459 T460 L462R37-C455 PolarHBondContact NH2-SG 3.47Å; C455-E457 VanDerWaalsContact C-N 3.25Å; C455-E457 PolarHBondContact O-N 2.94Å; C455-Y458 PolarHBondContact O-N 3.39Å; C455-G459 WeakPolarHBondContact O-CA 3.45Å; C455-G459 PolarHBondContact O-N 2.97Å; C455-T460 VanDerWaalsContact CB-OG1 3.32Å; C455-T460 WeakPolarHBondContact CB-OG1 3.4Å; C455-T460 PolarHBondContact N-O 3.25Å; C455-L462 HydrophobicContact CB-CD1 4.05Å; C455-L462 HydrophobicContact CB-CD2 4.27Å; C455-L462 HydrophobicContact CB-CG 4.2Å
456N92.8Very high86.7Confident3 Ų346.5 Ų46.52%0.01624%0.242CC..THydrogen-bonded Turntrans-57.6-39-179.6179.535.4000112.3H348 D350 R354 F384 Y428 D433 H454H348-N456 PolarHBondContact CE1-OD1 2.77Å; H348-N456 PolarHBondContact NE2-OD1 2.69Å; D350-N456 PolarHBondContact OD2-ND2 2.88Å; R354-N456 PolarHBondContact NH1-O 3.18Å; R354-N456 PolarHBondContact NH2-ND2 2.9Å; R354-N456 PolarHBondContact NH2-OD1 2.93Å; F384-N456 VanDerWaalsContact CE1-O 3.29Å; F384-N456 WeakPolarHBondContact CE1-O 3.49Å; F384-N456 WeakPolarHBondContact CZ-O 3.25Å; Y428-N456 HydrophobicContact CD2-CB 4.37Å; Y428-N456 HydrophobicContact CE2-CB 3.9Å; Y428-N456 VanDerWaalsContact CE2-CG 3.42Å; Y428-N456 WeakPolarHBondContact CE2-ND2 3.3Å; D433-N456 WeakPolarHBondContact OD1-CB 3.39Å; D433-N456 PolarHBondContact OD1-ND2 2.82Å; H454-N456 PolarHBondContact O-N 3.04Å
457E91.7Very high87.7Confident102 Ų10241.5 Ų41.548%0.47722%0.219SC..THydrogen-bonded Turntrans-69.6-34.6-177.5-165.8-178.8166.600114.6C455C455-E457 VanDerWaalsContact C-N 3.25Å; C455-E457 PolarHBondContact O-N 2.94Å
458Y91.4Very high88.1Confident140 Ų14047.4 Ų47.455%0.54925%0.253SS..THydrogen-bonded Turntrans-126.1-4-167.7-54-61.6000114.4C455 T460C455-Y458 PolarHBondContact O-N 3.39Å; Y458-T460 PolarHBondContact O-N 3.13Å
459G92.1Very high87.8Confident12 Ų1246.1 Ų46.112%0.12425%0.249CC..  trans67.7-1-174.300000115.5H454 C455 L461H454-G459 PolarHBondContact ND1-O 2.93Å; C455-G459 WeakPolarHBondContact O-CA 3.45Å; C455-G459 PolarHBondContact O-N 2.97Å; G459-L461 PolarHBondContact O-N 2.7Å
460T94.2Very high87.1Confident73 Ų7349.5 Ų49.545%0.44827%0.273SS..  trans-65128.5-176.6580000111H454 C455 Y458 L462H454-T460 WeakPolarHBondContact CA-O 3.37Å; C455-T460 VanDerWaalsContact CB-OG1 3.32Å; C455-T460 WeakPolarHBondContact CB-OG1 3.4Å; C455-T460 PolarHBondContact N-O 3.25Å; Y458-T460 PolarHBondContact O-N 3.13Å; T460-L462 PolarHBondContact O-N 3.25Å
461L94.3Very high86.3Confident83 Ų8350.5 Ų50.544%0.43528%0.275SS..EExtended strand (participates in β ladder)trans-61.2121.1172.6-179.967000110D452 G459D452-L461 HydrophobicContact CB-CD1 3.65Å; G459-L461 PolarHBondContact O-N 2.7Å
462L92.6Very high84.9Confident56 Ų5655 Ų5529%0.29330%0.3SS..EExtended strand (participates in β ladder)trans-96-37.8177.4-60.8176.3000111.5C41 L434 F453 C455 T460C41-L462 HydrophobicContact CB-CB 4.15Å; L434-L462 HydrophobicContact CD2-CD1 3.49Å; L434-L462 VanDerWaalsContact CD2-CD1 3.49Å; F453-L462 WeakPolarHBondContact O-CA 3.49Å; F453-L462 WeakPolarHBondContact O-CB 3.39Å; F453-L462 PolarHBondContact O-N 3.07Å; C455-L462 HydrophobicContact CB-CD1 4.05Å; C455-L462 HydrophobicContact CB-CD2 4.27Å; C455-L462 HydrophobicContact CB-CG 4.2Å; T460-L462 PolarHBondContact O-N 3.25Å
463K90.8Very high82.8Confident19 Ų1958.7 Ų58.78%0.08332%0.322CS..EExtended strand (participates in β ladder)trans-161.2143.4-178.7-175.3169.5-177.5167.20111.9V40 Q42 T45 F47 D452 F453 I465V40-K463 WeakPolarHBondContact O-CD 3.48Å; V40-K463 PolarHBondContact O-NZ 3.3Å; Q42-K463 PolarHBondContact O-NZ 2.85Å; T45-K463 WeakPolarHBondContact O-CE 3.25Å; T45-K463 PolarHBondContact O-NZ 3.27Å; F47-K463 HydrophobicContact CE2-CD 4.3Å; D452-K463 WeakPolarHBondContact CA-O 3.42Å; F453-K463 HydrophobicContact CD2-CB 4.34Å; F453-K463 PolarHBondContact N-O 3.43Å; F453-K463 PolarHBondContact O-N 2.73Å; K463-I465 HydrophobicContact CD-CG1 4.35Å; K463-I465 HydrophobicContact CG-CG1 4.18Å
464S90.1Very high80.2Confident56 Ų5664.3 Ų64.339%0.39236%0.357SS..EExtended strand (participates in β ladder)trans-115.9136.7171.2-171.30000110.4D452D452-S464 WeakPolarHBondContact OD1-CA 3.45Å; D452-S464 WeakPolarHBondContact OD1-CB 3.28Å; D452-S464 PolarHBondContact OD1-OG 3.25Å
465I86.7Confident77.4Confident10 Ų1069.1 Ų69.15%0.05139%0.39CS..EExtended strand (participates in β ladder)trans-128.2108.9-176.7-56.1157.8000108.2F47 H450 L451 F453 K463 L467F47-I465 HydrophobicContact CB-CG2 3.96Å; F47-I465 HydrophobicContact CD1-CD1 4.39Å; F47-I465 HydrophobicContact CD2-CB 4.45Å; F47-I465 HydrophobicContact CD2-CD1 3.44Å; F47-I465 VanDerWaalsContact CD2-CD1 3.44Å; F47-I465 HydrophobicContact CD2-CG1 3.66Å; F47-I465 HydrophobicContact CD2-CG2 3.89Å; F47-I465 HydrophobicContact CE1-CD1 4.16Å; F47-I465 HydrophobicContact CE2-CD1 3.15Å; F47-I465 HydrophobicContact CE2-CG1 3.72Å; F47-I465 HydrophobicContact CG-CD1 4.07Å; F47-I465 HydrophobicContact CG-CG1 4.48Å; F47-I465 HydrophobicContact CG-CG2 4.04Å; F47-I465 HydrophobicContact CZ-CD1 3.56Å; H450-I465 CarbonylContact C-O 3.56Å; H450-I465 VanDerWaalsContact CA-O 3.28Å; H450-I465 WeakPolarHBondContact CA-O 3.3Å; H450-I465 WeakPolarHBondContact CB-O 3.27Å; L451-I465 HydrophobicContact CB-CB 4.4Å; L451-I465 HydrophobicContact CD2-CD1 4.2Å; L451-I465 PolarHBondContact N-O 2.76Å; L451-I465 PolarHBondContact O-N 2.8Å; F453-I465 HydrophobicContact CD2-CD1 4Å; F453-I465 HydrophobicContact CE2-CD1 3.41Å; F453-I465 VanDerWaalsContact CE2-CD1 3.41Å; F453-I465 HydrophobicContact CZ-CD1 3.98Å; K463-I465 HydrophobicContact CD-CG1 4.35Å; K463-I465 HydrophobicContact CG-CG1 4.18Å; I465-L467 PolarHBondContact O-N 2.88Å
466P84.8Confident75Confident101 Ų10171.2 Ų71.266%0.65640%0.4SS*.EExtended strand (participates in β ladder)trans-67.8132.2172.128.6-32.8000109.9
467L78.8Confident71.9Confident38 Ų3877.3 Ų77.320%0.19944%0.437CS..  trans-80.6139.5171.5-58.5-176.7000108.8A449 I465 W471 F486A449-L467 HydrophobicContact CB-CB 4.36Å; A449-L467 HydrophobicContact CB-CD1 3.87Å; A449-L467 HydrophobicContact CB-CG 4.4Å; A449-L467 WeakPolarHBondContact O-CB 3.43Å; A449-L467 PolarHBondContact O-N 3.11Å; I465-L467 PolarHBondContact O-N 2.88Å; L467-W471 HydrophobicContact CD1-CZ3 4.44Å; L467-F486 HydrophobicContact CD2-CE1 4.42Å; L467-F486 HydrophobicContact CD2-CE2 4.06Å; L467-F486 HydrophobicContact CD2-CZ 3.63Å
468V72.4Confident68.6Low132 Ų13276.4 Ų76.480%0.844%0.442SS*.SBendtrans-82.9-31.9-176.61800000110.3
469E69.1Low65.6Low87 Ų8771.2 Ų71.241%0.40743%0.431SS..SBendtrans-77.7144.4179.4-58.277-168.900111.4N49N49-E469 PolarHBondContact ND2-OE1 2.87Å
470S67Low62.6Low75 Ų7577.3 Ų77.352%0.52447%0.466SS..  trans-67.5142.7171.4540000110.9G447 D472G447-S470 WeakPolarHBondContact O-CA 3.34Å; S470-D472 PolarHBondContact O-N 3.26Å
471W67.2Low59.6Low41 Ų4178.5 Ų78.516%0.15547%0.469CS..  trans-83.1105.1176.7-168.5-88000110.7K424 I425 V438 V440 G447 A449 L467 I476K424-W471 HydrophobicContact CB-CZ2 4.01Å; K424-W471 HydrophobicContact CG-CZ2 4.41Å; I425-W471 HydrophobicContact CD1-CH2 3.95Å; V438-W471 HydrophobicContact CG1-CE3 4.41Å; V438-W471 HydrophobicContact CG1-CH2 3.7Å; V438-W471 HydrophobicContact CG1-CZ3 3.61Å; V440-W471 HydrophobicContact CG1-CB 3.96Å; V440-W471 HydrophobicContact CG1-CG 3.95Å; V440-W471 HydrophobicContact CG2-CB 4.39Å; V440-W471 HydrophobicContact CG2-CD2 3.63Å; V440-W471 HydrophobicContact CG2-CE3 4.19Å; V440-W471 HydrophobicContact CG2-CG 3.73Å; V440-W471 HydrophobicContact CG2-CZ2 4.3Å; G447-W471 PolarHBondContact O-N 3.45Å; A449-W471 HydrophobicContact CB-CB 4.12Å; A449-W471 HydrophobicContact CB-CD2 4.18Å; A449-W471 HydrophobicContact CB-CE3 3.6Å; A449-W471 HydrophobicContact CB-CG 4.44Å; A449-W471 HydrophobicContact CB-CZ3 4.35Å; L467-W471 HydrophobicContact CD1-CZ3 4.44Å; W471-I476 HydrophobicContact CD2-CD1 4.34Å; W471-I476 VanDerWaalsContact CE2-CD1 3.44Å; W471-I476 HydrophobicContact CH2-CD1 3.95Å; W471-I476 HydrophobicContact CZ2-CD1 3.24Å
472D57.3Low56.7Low100 Ų10076.1 Ų76.154%0.53546%0.46SS..  trans-101.6117.1174.4-165.1-9.3000111.2S470 V474S470-D472 PolarHBondContact O-N 3.26Å; D472-V474 PolarHBondContact O-N 2.68Å; D472-V474 PolarHBondContact OD1-N 3.43Å
473V46.6Very low53.9Low85 Ų8573.9 Ų73.952%0.51545%0.448SS..G310 helixtrans-64.5-24.1-173.8-178.20000112.1C475V473-C475 VanDerWaalsContact C-N 3.26Å; V473-C475 PolarHBondContact O-N 2.97Å
474V37.6Very low51.2Low118 Ų11875.9 Ų75.972%0.71546%0.457SS*.G310 helixtrans-68.6-21.3-173.4-175.10000113D472D472-V474 PolarHBondContact O-N 2.68Å; D472-V474 PolarHBondContact OD1-N 3.43Å
475C34.3Very low48.5Very low111 Ų11174.9 Ų74.975%0.7546%0.456SS*.G310 helixtrans-84.8-7.5-176.5-80.70000115.8V473V473-C475 VanDerWaalsContact C-N 3.26Å; V473-C475 PolarHBondContact O-N 2.97Å
476I44.3Very low46Very low54 Ų5479 Ų7928%0.27747%0.474SS..  trans-107.1-9.9-157.8-54.7-179.5000114W471 S478 L481W471-I476 HydrophobicContact CD2-CD1 4.34Å; W471-I476 VanDerWaalsContact CE2-CD1 3.44Å; W471-I476 HydrophobicContact CH2-CD1 3.95Å; W471-I476 HydrophobicContact CZ2-CD1 3.24Å; I476-S478 VanDerWaalsContact C-N 3.28Å; I476-S478 PolarHBondContact O-N 2.89Å; I476-S478 VanDerWaalsContact O-N 3.08Å; I476-L481 HydrophobicContact CB-CD1 4.47Å; I476-L481 HydrophobicContact CD1-CD1 4.43Å; I476-L481 HydrophobicContact CG1-CD1 4.02Å; I476-L481 HydrophobicContact CG2-CD1 4.02Å
477T26.4Very low43.6Very low131 Ų13174.7 Ų74.780%0.80445%0.445SS*.THydrogen-bonded Turntrans-77.46.8-17043.20000116.5
478S23.9Very low41.5Very low83 Ų8375.5 Ų75.558%0.5845%0.446SS*.THydrogen-bonded Turntrans-14713-176.752.40000117.6I476I476-S478 VanDerWaalsContact C-N 3.28Å; I476-S478 PolarHBondContact O-N 2.89Å; I476-S478 VanDerWaalsContact O-N 3.08Å
479G27.4Very low39.6Very low30 Ų3074.3 Ų74.331%0.30943%0.427SS..SBendtrans-152.6123.6175.700000110.5L481G479-L481 PolarHBondContact O-N 3.46Å
480T28.2Very low37.7Very low141 Ų14171.4 Ų71.487%0.86542%0.416SS*.  trans-51.995.4175.4-18.80000109.6S482T480-S482 PolarHBondContact O-N 2.85Å
481L32.6Very low35.8Very low97 Ų9772.6 Ų72.651%0.50841%0.413SS..  trans-70.583.9165.1-97.5138.7000106.6I425 I476 G479I425-L481 HydrophobicContact CD1-CB 3.77Å; I476-L481 HydrophobicContact CB-CD1 4.47Å; I476-L481 HydrophobicContact CD1-CD1 4.43Å; I476-L481 HydrophobicContact CG1-CD1 4.02Å; I476-L481 HydrophobicContact CG2-CD1 4.02Å; G479-L481 PolarHBondContact O-N 3.46Å
482S33.8Very low33.9Very low34 Ų3476 Ų7624%0.23843%0.433CS..  trans-72.7133.5165.8175.20000108.3D427 T480 K484 G485D427-S482 WeakPolarHBondContact OD2-CA 3.16Å; D427-S482 WeakPolarHBondContact OD2-CB 3.49Å; D427-S482 PolarHBondContact OD2-OG 3.31Å; T480-S482 PolarHBondContact O-N 2.85Å; S482-K484 PolarHBondContact O-N 2.95Å; S482-K484 VanDerWaalsContact O-N 3.07Å; S482-K484 WeakPolarHBondContact OG-CB 3.41Å; S482-K484 WeakPolarHBondContact OG-CG 3.24Å; S482-K484 PolarHBondContact OG-N 2.72Å; S482-G485 PolarHBondContact O-N 3.03Å
483C33Very low32.5Very low8 Ų871.9 Ų71.95%0.05441%0.411CS..THydrogen-bonded Turntrans-60-15.7169-67.30000110.9D427 G485 F486 L487D427-C483 HydrophobicContact CB-CB 3.98Å; D427-C483 PolarHBondContact OD2-N 2.53Å; C483-G485 PolarHBondContact O-N 3.29Å; C483-F486 CarbonylContact O-C 3.59Å; C483-F486 WeakPolarHBondContact O-CA 3.49Å; C483-F486 WeakPolarHBondContact O-CB 3.28Å; C483-F486 PolarHBondContact O-N 3.46Å; C483-L487 HydrophobicContact CB-CD1 4.05Å; C483-L487 WeakPolarHBondContact O-CB 3.26Å; C483-L487 WeakPolarHBondContact O-CD1 3.26Å; C483-L487 WeakPolarHBondContact O-CG 3.47Å; C483-L487 PolarHBondContact O-N 2.75Å
484K33.4Very low31.4Very low62 Ų6272.9 Ų72.927%0.2741%0.414SS..Hα-helixtrans-53.6-35.8169.9-63.5-179.4179-1480112Y61 Y428 D430 S482 F486 L487 Y488Y61-K484 HydrophobicContact CE1-CB 4.2Å; Y428-K484 WeakPolarHBondContact O-CE 3.19Å; D430-K484 IonicContact OD1-NZ 3.85Å; D430-K484 PolarHBondContact OD1-NZ 3.11Å; S482-K484 PolarHBondContact O-N 2.95Å; S482-K484 VanDerWaalsContact O-N 3.07Å; S482-K484 WeakPolarHBondContact OG-CB 3.41Å; S482-K484 WeakPolarHBondContact OG-CG 3.24Å; S482-K484 PolarHBondContact OG-N 2.72Å; K484-F486 VanDerWaalsContact C-N 3.28Å; K484-F486 PolarHBondContact O-N 2.94Å; K484-L487 PolarHBondContact O-N 3.44Å; K484-Y488 HydrophobicContact CB-CD2 4.17Å; K484-Y488 HydrophobicContact CB-CE2 4.45Å; K484-Y488 WeakPolarHBondContact O-CB 3.25Å; K484-Y488 WeakPolarHBondContact O-CD2 2.95Å; K484-Y488 PolarHBondContact O-N 3.13Å
485G34.5Very low30.9Very low35 Ų3574.8 Ų74.836%0.36142%0.415SS..Hα-helixtrans-62-34.2173.500000113.9Y61 S482 C483Y61-G485 VanDerWaalsContact CE1-CA 3.5Å; S482-G485 PolarHBondContact O-N 3.03Å; C483-G485 PolarHBondContact O-N 3.29Å
486F34.5Very low30.3Very low97 Ų9773 Ų7343%0.42540%0.4SS..Hα-helixtrans-82.4-26.4177-145.3-92.9000112.4F47 L451 L467 C483 K484F47-F486 HydrophobicContact CD1-CE1 4.24Å; L451-F486 HydrophobicContact CD2-CD1 3.36Å; L451-F486 HydrophobicContact CD2-CE1 3.69Å; L451-F486 HydrophobicContact CD2-CG 4.12Å; L467-F486 HydrophobicContact CD2-CE1 4.42Å; L467-F486 HydrophobicContact CD2-CE2 4.06Å; L467-F486 HydrophobicContact CD2-CZ 3.63Å; C483-F486 CarbonylContact O-C 3.59Å; C483-F486 WeakPolarHBondContact O-CA 3.49Å; C483-F486 WeakPolarHBondContact O-CB 3.28Å; C483-F486 PolarHBondContact O-N 3.46Å; K484-F486 VanDerWaalsContact C-N 3.28Å; K484-F486 PolarHBondContact O-N 2.94Å
487L32.6Very low29.3Very low10 Ų1079 Ų795%0.05243%0.427CS..Hα-helixtrans-93.7-22.2-174.9-78.6156.8000114.8E429 L432 S436 F453 C483 K484 R489E429-L487 HydrophobicContact CB-CD1 3.74Å; E429-L487 HydrophobicContact CG-CB 4.02Å; E429-L487 HydrophobicContact CG-CD1 3.61Å; E429-L487 HydrophobicContact CG-CG 4.3Å; L432-L487 HydrophobicContact CD1-CD2 4.42Å; S436-L487 VanDerWaalsContact OG-CD1 3.23Å; S436-L487 WeakPolarHBondContact OG-CD1 3.32Å; F453-L487 HydrophobicContact CD1-CD2 4.42Å; F453-L487 HydrophobicContact CE1-CD1 3.99Å; F453-L487 HydrophobicContact CE1-CD2 3.48Å; F453-L487 VanDerWaalsContact CE1-CD2 3.48Å; F453-L487 HydrophobicContact CE1-CG 3.97Å; F453-L487 HydrophobicContact CE2-CD2 4.31Å; F453-L487 HydrophobicContact CZ-CD2 3.41Å; F453-L487 VanDerWaalsContact CZ-CD2 3.41Å; F453-L487 HydrophobicContact CZ-CG 4.12Å; C483-L487 HydrophobicContact CB-CD1 4.05Å; C483-L487 WeakPolarHBondContact O-CB 3.26Å; C483-L487 WeakPolarHBondContact O-CD1 3.26Å; C483-L487 WeakPolarHBondContact O-CG 3.47Å; C483-L487 PolarHBondContact O-N 2.75Å; K484-L487 PolarHBondContact O-N 3.44Å; L487-R489 PolarHBondContact O-N 2.74Å
488Y35.1Very low29.1Very low55 Ų5578.6 Ų78.622%0.21642%0.418CS..  trans-79.152-179.5-100.3-95.7000113.7Y61 E431 K484Y61-Y488 WeakPolarHBondContact OH-CB 3.41Å; Y61-Y488 VanDerWaalsContact OH-CG 3.31Å; E431-Y488 PolarHBondContact OE1-OH 3.37Å; K484-Y488 HydrophobicContact CB-CD2 4.17Å; K484-Y488 HydrophobicContact CB-CE2 4.45Å; K484-Y488 WeakPolarHBondContact O-CB 3.25Å; K484-Y488 WeakPolarHBondContact O-CD2 2.95Å; K484-Y488 PolarHBondContact O-N 3.13Å
489R33.1Very low29Very low107 Ų10778.6 Ų78.640%0.40442%0.418SS..  trans-12147.3163.6-149.1-175.7-137.9-147.24.9111.4A79 S80 L487A79-R489 PolarHBondContact O-NH2 3.31Å; S80-R489 PolarHBondContact O-NH2 3.2Å; L487-R489 PolarHBondContact O-N 2.74Å
490C29.8Very low28.8Very low26 Ų2682.7 Ų82.718%0.17644%0.439CS..  trans-137.814.1-169.4-82.90000114.8L36 V40 L492L36-C490 HydrophobicContact CD1-CB 3.57Å; L36-C490 WeakPolarHBondContact CD1-SG 3.46Å; L36-C490 HydrophobicContact CD2-CB 3.47Å; L36-C490 VanDerWaalsContact CD2-CB 3.47Å; L36-C490 VanDerWaalsContact CD2-O 3.29Å; L36-C490 WeakPolarHBondContact CD2-O 3.43Å; L36-C490 HydrophobicContact CG-CB 3.7Å; V40-C490 VanDerWaalsContact CG2-SG 3.52Å; C490-L492 PolarHBondContact O-N 2.9Å; C490-L492 VanDerWaalsContact O-N 3.11Å
491H26.2Very low28.8Very low100 Ų10082.5 Ų82.546%0.46343%0.433SS..G310 helixtrans-74.716.7160.1-91.5-64.9000113.9L493 D494H491-L493 PolarHBondContact O-N 3.41Å; H491-D494 IonicContact ND1-OD2 3.59Å
492L27.1Very low28.3Very low112 Ų11283.2 Ų83.259%0.58645%0.446SS*.G310 helixtrans-70.3-13.5-175.4-107.4148.1000114C490 V496C490-L492 PolarHBondContact O-N 2.9Å; C490-L492 VanDerWaalsContact O-N 3.11Å; L492-V496 WeakPolarHBondContact O-CG2 3.35Å; L492-V496 PolarHBondContact O-N 2.95Å
493L27.5Very low27.8Very low13 Ų1387.6 Ų87.67%0.06847%0.474CS..G310 helixtrans-81.7-19.4-179.8-76169.3000114.6L13 R16 N32 I35 L36 H491 H495 V496L13-L493 HydrophobicContact CD2-CD2 3.83Å; R16-L493 VanDerWaalsContact CZ-O 3.29Å; R16-L493 PolarHBondContact NH1-O 3.45Å; R16-L493 VanDerWaalsContact NH1-O 3.09Å; R16-L493 PolarHBondContact NH2-O 3.35Å; N32-L493 HydrophobicContact CB-CB 4.45Å; N32-L493 HydrophobicContact CB-CD1 3.77Å; N32-L493 VanDerWaalsContact O-CD1 3.24Å; N32-L493 WeakPolarHBondContact O-CD1 3.49Å; I35-L493 HydrophobicContact CB-CD1 4.41Å; I35-L493 HydrophobicContact CG2-CD1 4.28Å; L36-L493 HydrophobicContact CB-CD1 4.25Å; H491-L493 PolarHBondContact O-N 3.41Å; L493-H495 VanDerWaalsContact C-N 3.27Å; L493-H495 PolarHBondContact O-N 3.48Å; L493-V496 HydrophobicContact CD2-CG2 4.42Å
494D24.6Very low27.4Very low107 Ų10796.3 Ų96.357%0.57252%0.516SS*.SBendtrans-79.1-13.7176.5-67.2-27.9000112.8H491H491-D494 IonicContact ND1-OD2 3.59Å
495H26.2Very low27.1Very low158 Ų158105.3 Ų105.373%0.73157%0.566SS**SBendtrans-125.512.9-177.9-66.5-50.6000115.5L493 H497L493-H495 VanDerWaalsContact C-N 3.27Å; L493-H495 PolarHBondContact O-N 3.48Å; H495-H497 PolarHBondContact O-N 3.38Å
496V23.1Very low26.7Very low72 Ų72108.8 Ų108.844%0.43658%0.576SS.*  trans-71.484.4166.1-170.20000109.5L492 L493 I498L492-V496 WeakPolarHBondContact O-CG2 3.35Å; L492-V496 PolarHBondContact O-N 2.95Å; L493-V496 HydrophobicContact CD2-CG2 4.42Å; V496-I498 HydrophobicContact CG1-CG1 3.82Å; V496-I498 PolarHBondContact O-N 3.41Å
497H22.5Very low26.3Very low182 Ų182109.4 Ų109.484%0.84358%0.584SS**  trans-72.4106.5149.2-94.1-66.3000107.1H495 S499H495-H497 PolarHBondContact O-N 3.38Å; H497-S499 PolarHBondContact O-N 2.81Å; H497-S499 VanDerWaalsContact O-N 3.1Å
498I22.8Very low25.9Very low122 Ų122114.9 Ų114.963%0.62661%0.613SS**  trans-66.9107163.4-58.6177.3000105.4V496V496-I498 HydrophobicContact CG1-CG1 3.82Å; V496-I498 PolarHBondContact O-N 3.41Å
499S21.7Very low25.4Very low83 Ų83118.5 Ų118.558%0.5864%0.637SS**  trans-58.6131.6164.5-179.90000108H497 D501H497-S499 PolarHBondContact O-N 2.81Å; H497-S499 VanDerWaalsContact O-N 3.1Å; S499-D501 PolarHBondContact O-N 2.86Å; S499-D501 VanDerWaalsContact O-N 3.1Å
500P23.4Very low24.9Very low115 Ų115119.2 Ų119.275%0.74765%0.651SS**SBendtrans-65.2-11.5-177.1-1830.5000114.5
501D27Very low24.6Very low137 Ų137125.4 Ų125.473%0.73368%0.683SS**  trans-108.684.7-168.2-64.6-34.3000112S499S499-D501 PolarHBondContact O-N 2.86Å; S499-D501 VanDerWaalsContact O-N 3.1Å
502S22.7Very low24.5Very low112 Ų112127.2 Ų127.278%0.78370%0.699SS**  trans-152.1134139.4-83.70000110.5
503P23.1Very low24.3Very low127 Ų127128.4 Ų128.483%0.82571%0.707SS**  trans-73.7142.2-16568.9000110.9L505P503-L505 PolarHBondContact O-N 2.91Å
504M24.5Very low24Very low190 Ų190138 Ų13894%0.93676%0.761SS**  trans-57129.7167.7-68.7-151.7-176.800110.8
505L26.4Very low23.9Very low251 Ų251140.8 Ų140.8100%1.31478%0.778SS**  trans-142.70144.8-95.6166.2000108.9P503P503-L505 PolarHBondContact O-N 2.91Å

Retrieved 505 of 505 residues in 153.6 ms (Link to these results)

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