A0A3Q0KQ22_SCHMA Loading...

Arrestin_C domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KQ22, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 485 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M31.3Very low42.6Very low243 Ų243113.6 Ų113.6100%1.19765%0.646SS**  0106.30-74.1176.1169.600107.9R3M1-R3 PolarHBondContact O-N 2.8Å; M1-R3 VanDerWaalsContact O-N 3.08Å
2S29.7Very low46.4Very low122 Ų122104.3 Ų104.385%0.85359%0.593SS**  trans-62.4106.8172.5171.40000108G4S2-G4 VanDerWaalsContact C-N 3.31Å; S2-G4 PolarHBondContact O-N 3.04Å
3R26Very low49.8Very low238 Ų23898.5 Ų98.590%0.89856%0.559SS**  trans-70.895.8166-83.4-179.2170.8175.7-2.9105.9M1 T5M1-R3 PolarHBondContact O-N 2.8Å; M1-R3 VanDerWaalsContact O-N 3.08Å; R3-T5 PolarHBondContact O-N 2.77Å
4G29.1Very low52.9Low65 Ų6596.2 Ų96.267%0.6754%0.54SS*.  trans-54.7114165.200000107.8S2 G6S2-G4 VanDerWaalsContact C-N 3.31Å; S2-G4 PolarHBondContact O-N 3.04Å; G4-G6 VanDerWaalsContact C-N 3.3Å; G4-G6 PolarHBondContact O-N 2.95Å
5T31.6Very low55.7Low128 Ų12891.4 Ų91.479%0.78551%0.511SS*.  trans-61.199.2165.245.50000105.9R3 T7R3-T5 PolarHBondContact O-N 2.77Å; T5-T7 PolarHBondContact O-N 3.45Å; T5-T7 PolarHBondContact O-OG1 3.37Å
6G32.8Very low58Low66 Ų6688.3 Ų88.368%0.6850%0.5SS*.  trans-67.386.3176.100000108.9G4 R8G4-G6 VanDerWaalsContact C-N 3.3Å; G4-G6 PolarHBondContact O-N 2.95Å; G6-R8 PolarHBondContact O-N 3.14Å
7T40.2Very low60.1Low80 Ų8083.4 Ų83.449%0.49147%0.472SS..  trans-57.9108.9170.3-42.50000107T5 C9 D449 H451T5-T7 PolarHBondContact O-N 3.45Å; T5-T7 PolarHBondContact O-OG1 3.37Å; T7-C9 PolarHBondContact O-N 3.36Å; T7-C9 VanDerWaalsContact O-N 3.08Å; T7-D449 WeakPolarHBondContact CG2-O 3.3Å; T7-H451 HydrophobicContact CG2-CB 4.47Å
8R48.7Very low61.8Low86 Ų8684.1 Ų84.133%0.32548%0.481SS..  trans-65.7112.9177.2-84.1-179.4167175.1-4.1108.2G6 N442 M450 H451G6-R8 PolarHBondContact O-N 3.14Å; R8-N442 PolarHBondContact NH1-O 3.17Å; R8-N442 VanDerWaalsContact NH2-N 3.13Å; R8-N442 PolarHBondContact NH2-O 3.48Å; R8-M450 HydrophobicContact CB-CE 3.32Å; R8-M450 HydrophobicContact CG-CE 4.14Å; R8-M450 WeakPolarHBondContact O-CA 3.31Å; R8-H451 PolarHBondContact O-N 3.42Å; R8-H451 VanDerWaalsContact O-N 3.17Å
9C54.2Low63.3Low61 Ų6183 Ų8341%0.41247%0.474SS..EExtended strand (participates in β ladder)trans-99.7127.2174.3-170.60000108.7T7 H451 T453T7-C9 PolarHBondContact O-N 3.36Å; T7-C9 VanDerWaalsContact O-N 3.08Å; C9-H451 VanDerWaalsContact CA-O 3.31Å; C9-H451 WeakPolarHBondContact CA-O 3.04Å; C9-T453 PolarHBondContact SG-OG1 3.27Å
10F65.9Low64.7Low67 Ų6781 Ų8129%0.29447%0.472SS..EExtended strand (participates in β ladder)trans-97.5120.6167-66.4-70.2000108.8P155 M450 H451 L452 T453F10-P155 HydrophobicContact CD2-CB 4.37Å; F10-P155 HydrophobicContact CE2-CB 3.4Å; F10-P155 VanDerWaalsContact CE2-CB 3.4Å; F10-P155 HydrophobicContact CE2-CG 4.18Å; F10-P155 HydrophobicContact CZ-CB 3.6Å; F10-P155 HydrophobicContact CZ-CG 3.86Å; F10-M450 HydrophobicContact CD2-CE 3.88Å; F10-M450 HydrophobicContact CD2-SD 4.48Å; F10-M450 HydrophobicContact CE1-CE 4.46Å; F10-M450 HydrophobicContact CE2-CE 2.98Å; F10-M450 HydrophobicContact CE2-SD 3.59Å; F10-M450 VanDerWaalsContact CE2-SD 3.59Å; F10-M450 HydrophobicContact CZ-CE 3.35Å; F10-M450 HydrophobicContact CZ-SD 4.31Å; F10-H451 PolarHBondContact N-O 3.01Å; F10-H451 VanDerWaalsContact N-O 3.07Å; F10-L452 HydrophobicContact CB-CD1 4.03Å; F10-T453 PolarHBondContact O-N 3.05Å
11D78.9Confident66.1Low94 Ų9480.4 Ų80.450%0.50346%0.464SS..EExtended strand (participates in β ladder)trans-82.5120.7167.3-71.5-38000108.3T453 H455D11-T453 WeakPolarHBondContact CA-O 3.47Å; D11-T453 WeakPolarHBondContact OD1-CB 3.34Å; D11-H455 VanDerWaalsContact CG-NE2 3.29Å; D11-H455 IonicContact OD1-CD2 2.68Å; D11-H455 IonicContact OD1-CE1 3.96Å; D11-H455 IonicContact OD1-NE2 3.81Å; D11-H455 PolarHBondContact OD1-NE2 2.9Å; D11-H455 IonicContact OD2-NE2 3.61Å
12V88Confident69.1Low1 Ų168.9 Ų68.91%0.00641%0.407CS..EExtended strand (participates in β ladder)trans-120.7132.4178.1177.90000109.1F25 L26 F156 L452 T453 T454 H455V12-F25 HydrophobicContact CG1-CB 3.88Å; V12-F25 HydrophobicContact CG1-CD1 3.98Å; V12-F25 HydrophobicContact CG1-CG 4.45Å; V12-L26 WeakPolarHBondContact CG1-O 3.44Å; V12-F156 HydrophobicContact CG1-CD2 4.26Å; V12-F156 HydrophobicContact CG2-CB 3.83Å; V12-F156 HydrophobicContact CG2-CD2 3.95Å; V12-F156 HydrophobicContact CG2-CG 4.03Å; V12-L452 HydrophobicContact CB-CD1 4.35Å; V12-L452 HydrophobicContact CG2-CD1 3.53Å; V12-T453 PolarHBondContact N-O 3.39Å; V12-T454 CarbonylContact O-C 3.53Å; V12-T454 WeakPolarHBondContact O-CA 3.43Å; V12-H455 PolarHBondContact O-N 3.09Å
13L91.2Very high72.2Confident29 Ų2963.5 Ų63.515%0.15237%0.369CS..EExtended strand (participates in β ladder)trans-80.6129.4175-61.5171.7000109F25 L26 R29 H455 V457L13-F25 CarbonylContact O-C 3.56Å; L13-F25 VanDerWaalsContact O-CA 3.24Å; L13-F25 WeakPolarHBondContact O-CA 3.1Å; L13-L26 WeakPolarHBondContact CB-O 3.43Å; L13-L26 PolarHBondContact N-O 3.05Å; L13-L26 PolarHBondContact O-N 2.93Å; L13-R29 HydrophobicContact CD1-CB 4.21Å; L13-R29 HydrophobicContact CD1-CG 3.6Å; L13-H455 WeakPolarHBondContact CA-O 3.26Å; L13-H455 HydrophobicContact CD2-CB 4.26Å; L13-V457 HydrophobicContact CB-CG2 3.82Å; L13-V457 HydrophobicContact CD2-CG2 4.05Å; L13-V457 HydrophobicContact CG-CG2 4.42Å
14K93.6Very high75.5Confident67 Ų6752.1 Ų52.129%0.29133%0.326SS..EExtended strand (participates in β ladder)trans-119.9133.5175.5179.3-169.9177.9-172.40110.5S23 L24 F25 T454 H455 T456 V457K14-S23 VanDerWaalsContact CE-OG 3.28Å; K14-S23 WeakPolarHBondContact CE-OG 3.33Å; K14-L24 CarbonylContact C-O 3.57Å; K14-L24 VanDerWaalsContact CA-O 3.31Å; K14-L24 WeakPolarHBondContact CA-O 3.49Å; K14-F25 HydrophobicContact CB-CD1 3.87Å; K14-F25 HydrophobicContact CB-CE1 3.79Å; K14-F25 HydrophobicContact CB-CZ 4.49Å; K14-F25 HydrophobicContact CD-CE1 3.61Å; K14-F25 HydrophobicContact CD-CZ 3.66Å; K14-F25 HydrophobicContact CG-CD1 4.01Å; K14-F25 HydrophobicContact CG-CE1 3.58Å; K14-F25 HydrophobicContact CG-CE2 4.36Å; K14-F25 HydrophobicContact CG-CZ 3.79Å; K14-T454 HydrophobicContact CB-CG2 3.35Å; K14-T454 HydrophobicContact CD-CG2 3.99Å; K14-T454 HydrophobicContact CG-CG2 4.26Å; K14-H455 PolarHBondContact N-O 2.96Å; K14-T456 CarbonylContact O-C 3.47Å; K14-T456 WeakPolarHBondContact O-CA 3.44Å; K14-V457 PolarHBondContact O-N 3.02Å
15K93.7Very high78.6Confident24 Ų2449.3 Ų49.310%0.10430%0.296CS..EExtended strand (participates in β ladder)trans-129.8135.4165-156.8175.2-174.5172.40110S23 L24 V220 T221 I222 V457 D460K15-S23 CarbonylContact O-C 3.54Å; K15-S23 WeakPolarHBondContact O-CA 3.39Å; K15-L24 PolarHBondContact N-O 2.93Å; K15-L24 PolarHBondContact O-N 3.08Å; K15-V220 HydrophobicContact CB-CG2 3.81Å; K15-V220 HydrophobicContact CD-CG2 3.89Å; K15-V220 HydrophobicContact CG-CG2 3.63Å; K15-T221 VanDerWaalsContact CD-O 3.3Å; K15-T221 WeakPolarHBondContact CD-O 3.47Å; K15-T221 WeakPolarHBondContact CE-O 3.27Å; K15-T221 PolarHBondContact NZ-O 2.71Å; K15-I222 HydrophobicContact CB-CD1 3.89Å; K15-I222 HydrophobicContact CB-CG1 3.81Å; K15-I222 HydrophobicContact CD-CG1 3.78Å; K15-I222 HydrophobicContact CG-CG1 4.45Å; K15-V457 HydrophobicContact CB-CB 4.24Å; K15-V457 HydrophobicContact CD-CB 4.46Å; K15-V457 HydrophobicContact CD-CG1 4.16Å; K15-V457 HydrophobicContact CG-CB 4.37Å; K15-D460 VanDerWaalsContact NZ-CB 3.34Å; K15-D460 IonicContact NZ-OD2 2.74Å; K15-D460 PolarHBondContact NZ-OD2 3.32Å
16A93.3Very high81.6Confident41 Ų4143.2 Ų43.234%0.33926%0.258SS..EExtended strand (participates in β ladder)trans-111157.9179.200000111.1L22 S23A16-L22 CarbonylContact C-O 3.59Å; A16-L22 VanDerWaalsContact CA-O 3.26Å; A16-L22 WeakPolarHBondContact CA-O 3.32Å; A16-S23 WeakPolarHBondContact CB-OG 3.43Å
17T93Very high84.4Confident5 Ų542 Ų423%0.03124%0.236CC..  trans-63.4153.9165.346.90000110.3D19 G20 K21 L22 S218 V220T17-D19 WeakPolarHBondContact CB-OD1 3.2Å; T17-D19 PolarHBondContact O-N 3.31Å; T17-D19 PolarHBondContact OG1-OD1 3.38Å; T17-G20 WeakPolarHBondContact O-CA 3.35Å; T17-G20 PolarHBondContact O-N 3.46Å; T17-K21 PolarHBondContact OG1-N 2.63Å; T17-K21 VanDerWaalsContact OG1-N 3.17Å; T17-L22 HydrophobicContact CG2-CB 3.67Å; T17-L22 HydrophobicContact CG2-CD1 4.16Å; T17-L22 HydrophobicContact CG2-CG 4.18Å; T17-L22 PolarHBondContact N-O 3.24Å; T17-L22 PolarHBondContact OG1-N 3.36Å; T17-L22 PolarHBondContact OG1-O 3.36Å; T17-S218 VanDerWaalsContact CG2-C 3.46Å; T17-S218 WeakPolarHBondContact CG2-O 3.49Å; T17-V220 HydrophobicContact CG2-CB 3.78Å; T17-V220 HydrophobicContact CG2-CG1 3.83Å
18P90.8Very high86.8Confident97 Ų9742 Ų4263%0.6323%0.227SC*.THydrogen-bonded Turntrans-55.1-34.3176.1-28.535.4000114.2G20 I216 S217 T219P18-G20 VanDerWaalsContact C-N 3.25Å; P18-G20 PolarHBondContact O-N 3.43Å; P18-I216 WeakPolarHBondContact CG-O 3.45Å; P18-S217 WeakPolarHBondContact CD-O 3.01Å; P18-T219 WeakPolarHBondContact CD-O 3.43Å
19D90.9Very high88.9Confident63 Ų6338.8 Ų38.834%0.33722%0.215SC..THydrogen-bonded Turntrans-78-5.3174.668.72.2000114.4T17 K21 S217T17-D19 WeakPolarHBondContact CB-OD1 3.2Å; T17-D19 PolarHBondContact O-N 3.31Å; T17-D19 PolarHBondContact OG1-OD1 3.38Å; D19-K21 HydrophobicContact CB-CG 4.23Å; D19-K21 PolarHBondContact O-N 2.85Å; D19-K21 WeakPolarHBondContact OD1-CB 3.42Å; D19-K21 PolarHBondContact OD1-N 2.91Å; D19-K21 WeakPolarHBondContact OD2-CD 3.45Å; D19-K21 WeakPolarHBondContact OD2-CG 3.36Å; D19-S217 WeakPolarHBondContact CB-O 3.38Å; D19-S217 PolarHBondContact N-O 2.91Å; D19-S217 VanDerWaalsContact N-O 3.11Å
20G91.8Very high90.7Very high43 Ų4337.5 Ų37.544%0.44321%0.205SC..SBendtrans72.34.7-179.900000115.2T17 P18T17-G20 WeakPolarHBondContact O-CA 3.35Å; T17-G20 PolarHBondContact O-N 3.46Å; P18-G20 VanDerWaalsContact C-N 3.25Å; P18-G20 PolarHBondContact O-N 3.43Å
21K93.4Very high92.1Very high68 Ų6834.3 Ų34.330%0.29619%0.191SC..SBendtrans-79.9-29.2-173.4-63.6-169.7-173.7-161.20114.4T17 D19 M47 T48 D50 V51T17-K21 PolarHBondContact OG1-N 2.63Å; T17-K21 VanDerWaalsContact OG1-N 3.17Å; D19-K21 HydrophobicContact CB-CG 4.23Å; D19-K21 PolarHBondContact O-N 2.85Å; D19-K21 WeakPolarHBondContact OD1-CB 3.42Å; D19-K21 PolarHBondContact OD1-N 2.91Å; D19-K21 WeakPolarHBondContact OD2-CD 3.45Å; D19-K21 WeakPolarHBondContact OD2-CG 3.36Å; K21-M47 CarbonylContact O-C 3.57Å; K21-M47 VanDerWaalsContact O-CA 3.25Å; K21-M47 WeakPolarHBondContact O-CA 3.26Å; K21-T48 WeakPolarHBondContact CB-OG1 3.03Å; K21-T48 PolarHBondContact O-N 3.21Å; K21-T48 PolarHBondContact O-OG1 3.4Å; K21-D50 WeakPolarHBondContact CD-OD2 3.13Å; K21-D50 VanDerWaalsContact CE-OD2 3.25Å; K21-D50 WeakPolarHBondContact CE-OD2 3.34Å; K21-D50 IonicContact NZ-OD2 3.21Å; K21-D50 PolarHBondContact NZ-OD2 3.25Å; K21-V51 HydrophobicContact CB-CG2 3.73Å; K21-V51 HydrophobicContact CD-CG2 3.74Å; K21-V51 HydrophobicContact CG-CG2 4.32Å
22L94.6Very high92.9Very high2 Ų230.5 Ų30.51%0.0117%0.171CC..EExtended strand (participates in β ladder)trans-114.6148.4171.4-57.1178.6000110.1A16 T17 L45 T46 M47 V51 V57 A206A16-L22 CarbonylContact C-O 3.59Å; A16-L22 VanDerWaalsContact CA-O 3.26Å; A16-L22 WeakPolarHBondContact CA-O 3.32Å; T17-L22 HydrophobicContact CG2-CB 3.67Å; T17-L22 HydrophobicContact CG2-CD1 4.16Å; T17-L22 HydrophobicContact CG2-CG 4.18Å; T17-L22 PolarHBondContact N-O 3.24Å; T17-L22 PolarHBondContact OG1-N 3.36Å; T17-L22 PolarHBondContact OG1-O 3.36Å; L22-L45 HydrophobicContact CD2-CD2 4.32Å; L22-T46 CarbonylContact C-O 3.46Å; L22-T46 WeakPolarHBondContact CA-O 3.5Å; L22-M47 HydrophobicContact CD2-CB 3.54Å; L22-V51 HydrophobicContact CD2-CG1 4.19Å; L22-V57 HydrophobicContact CD1-CG1 4.11Å; L22-V57 HydrophobicContact CD2-CG1 4.08Å; L22-V57 HydrophobicContact CD2-CG2 4.07Å; L22-A206 HydrophobicContact CD1-CB 4.06Å
23S94.9Very high93.3Very high8 Ų830.4 Ų30.46%0.05617%0.171CC..EExtended strand (participates in β ladder)trans-139.8131.4166.9-61.90000111.1K14 K15 A16 L45 T46K14-S23 VanDerWaalsContact CE-OG 3.28Å; K14-S23 WeakPolarHBondContact CE-OG 3.33Å; K15-S23 CarbonylContact O-C 3.54Å; K15-S23 WeakPolarHBondContact O-CA 3.39Å; A16-S23 WeakPolarHBondContact CB-OG 3.43Å; S23-L45 CarbonylContact O-C 3.38Å; S23-L45 WeakPolarHBondContact O-CA 3.39Å; S23-T46 WeakPolarHBondContact CB-OG1 3.32Å; S23-T46 PolarHBondContact N-O 3.23Å; S23-T46 PolarHBondContact O-N 2.83Å
24L95.4Very high93.4Very high0 Ų031 Ų310%017%0.173CC..EExtended strand (participates in β ladder)trans-95.2137.4170.9-76.3174.8000110K14 K15 L45 L59 F171 L202 A204 V220 I222K14-L24 CarbonylContact C-O 3.57Å; K14-L24 VanDerWaalsContact CA-O 3.31Å; K14-L24 WeakPolarHBondContact CA-O 3.49Å; K15-L24 PolarHBondContact N-O 2.93Å; K15-L24 PolarHBondContact O-N 3.08Å; L24-L45 HydrophobicContact CD2-CB 4.13Å; L24-L45 HydrophobicContact CD2-CD1 3.95Å; L24-L45 HydrophobicContact CD2-CG 4.39Å; L24-L59 HydrophobicContact CD2-CD1 3.93Å; L24-F171 HydrophobicContact CD2-CE1 4.01Å; L24-F171 HydrophobicContact CD2-CZ 4.15Å; L24-L202 HydrophobicContact CD1-CD2 4.42Å; L24-L202 HydrophobicContact CD1-CG 4.43Å; L24-A204 HydrophobicContact CD1-CB 3.86Å; L24-A204 HydrophobicContact CD2-CB 4Å; L24-A204 HydrophobicContact CG-CB 3.97Å; L24-V220 HydrophobicContact CD1-CG1 3.87Å; L24-V220 HydrophobicContact CG-CG1 4.02Å; L24-I222 HydrophobicContact CB-CD1 3.71Å; L24-I222 HydrophobicContact CD1-CD1 4.1Å; L24-I222 HydrophobicContact CD1-CG1 4.31Å
25F94.7Very high93.2Very high6 Ų629 Ų293%0.02616%0.164CC..EExtended strand (participates in β ladder)trans-124.4130.5175.3-64-98.1000109.9V12 L13 K14 G43 I44 T46 L160 T454V12-F25 HydrophobicContact CG1-CB 3.88Å; V12-F25 HydrophobicContact CG1-CD1 3.98Å; V12-F25 HydrophobicContact CG1-CG 4.45Å; L13-F25 CarbonylContact O-C 3.56Å; L13-F25 VanDerWaalsContact O-CA 3.24Å; L13-F25 WeakPolarHBondContact O-CA 3.1Å; K14-F25 HydrophobicContact CB-CD1 3.87Å; K14-F25 HydrophobicContact CB-CE1 3.79Å; K14-F25 HydrophobicContact CB-CZ 4.49Å; K14-F25 HydrophobicContact CD-CE1 3.61Å; K14-F25 HydrophobicContact CD-CZ 3.66Å; K14-F25 HydrophobicContact CG-CD1 4.01Å; K14-F25 HydrophobicContact CG-CE1 3.58Å; K14-F25 HydrophobicContact CG-CE2 4.36Å; K14-F25 HydrophobicContact CG-CZ 3.79Å; F25-G43 CarbonylContact O-C 3.38Å; F25-G43 WeakPolarHBondContact O-CA 3.01Å; F25-I44 HydrophobicContact CB-CB 4.26Å; F25-I44 HydrophobicContact CD2-CG2 4.38Å; F25-I44 PolarHBondContact N-O 3.28Å; F25-I44 PolarHBondContact O-N 2.92Å; F25-T46 HydrophobicContact CD2-CG2 4.09Å; F25-T46 HydrophobicContact CE2-CG2 3.58Å; F25-T46 HydrophobicContact CZ-CG2 4.49Å; F25-L160 HydrophobicContact CB-CD1 3.64Å; F25-L160 HydrophobicContact CD1-CD1 3.75Å; F25-L160 HydrophobicContact CD1-CD2 4.16Å; F25-L160 HydrophobicContact CD2-CD1 4.25Å; F25-L160 HydrophobicContact CE1-CD1 4.43Å; F25-L160 HydrophobicContact CE1-CD2 4.03Å; F25-L160 HydrophobicContact CG-CD1 3.63Å; F25-L160 HydrophobicContact CZ-CD2 4.36Å; F25-T454 HydrophobicContact CE1-CG2 4.18Å
26L94.4Very high93.1Very high0 Ų033.5 Ų33.50%019%0.19CC..EExtended strand (participates in β ladder)trans-134.7147176.6-63175.5000109.7V12 L13 R28 I41 D42 F171 L202 I222 L224V12-L26 WeakPolarHBondContact CG1-O 3.44Å; L13-L26 WeakPolarHBondContact CB-O 3.43Å; L13-L26 PolarHBondContact N-O 3.05Å; L13-L26 PolarHBondContact O-N 2.93Å; L26-R28 VanDerWaalsContact C-N 3.34Å; L26-I41 HydrophobicContact CD2-CG2 3.84Å; L26-D42 WeakPolarHBondContact CD2-O 3.43Å; L26-F171 HydrophobicContact CD2-CE2 4.32Å; L26-F171 HydrophobicContact CD2-CZ 4.11Å; L26-L202 HydrophobicContact CD1-CD2 4.09Å; L26-L202 HydrophobicContact CD2-CD2 3.97Å; L26-L202 HydrophobicContact CG-CD2 4.45Å; L26-I222 HydrophobicContact CD1-CD1 3.88Å; L26-I222 HydrophobicContact CD1-CG2 4.13Å; L26-I222 HydrophobicContact CG-CD1 4.33Å; L26-L224 HydrophobicContact CD1-CD2 3.73Å
27D90Very high93Very high39 Ų3935.8 Ų35.821%0.20919%0.193CC..SBendtrans-75.5-26.2173.170.2-39.5000112.3F156D27-F156 HydrophobicContact CB-CD1 4.22Å; D27-F156 HydrophobicContact CB-CE1 3.87Å; D27-F156 HydrophobicContact CB-CZ 4.28Å
28R91.1Very high93Very high81 Ų8136.1 Ų36.131%0.30620%0.195SC..  trans-153.7164.5179.962.1-161.9158.9-133.313.4112.6L26 T30 F31L26-R28 VanDerWaalsContact C-N 3.34Å; R28-T30 WeakPolarHBondContact CD-O 3.37Å; R28-F31 HydrophobicContact CG-CD1 4.38Å; R28-F31 HydrophobicContact CG-CE1 3.81Å; R28-F31 HydrophobicContact CG-CZ 3.99Å
29R92.2Very high93.2Very high18 Ų1833 Ų337%0.06817%0.173CC..SBendtrans-108.5-7.6171.8-81.8-173.2-63.8-176.6-4.3114.1L13 I222 L224 R225 I356 E359 D460L13-R29 HydrophobicContact CD1-CB 4.21Å; L13-R29 HydrophobicContact CD1-CG 3.6Å; R29-I222 HydrophobicContact CG-CG2 3.97Å; R29-L224 HydrophobicContact CG-CD2 4.33Å; R29-L224 CarbonylContact O-C 3.57Å; R29-L224 WeakPolarHBondContact O-CA 3.4Å; R29-R225 PolarHBondContact O-N 3.06Å; R29-I356 HydrophobicContact CB-CD1 4.05Å; R29-I356 VanDerWaalsContact CZ-CG2 3.48Å; R29-E359 IonicContact CZ-OE1 2.7Å; R29-E359 IonicContact NE-OE1 2.76Å; R29-E359 PolarHBondContact NE-OE1 2.7Å; R29-E359 VanDerWaalsContact NH2-CD 3.27Å; R29-E359 IonicContact NH2-OE1 3.85Å; R29-E359 PolarHBondContact NH2-OE1 3.36Å; R29-D460 IonicContact NH1-OD1 3.4Å; R29-D460 PolarHBondContact NH1-OD1 2.87Å; R29-D460 IonicContact NH1-OD2 3.49Å
30T93.9Very high93.3Very high35 Ų3531.5 Ų31.522%0.21517%0.167CC..EExtended strand (participates in β ladder)trans-119.9124.5-178.4-56.90000109.4R28 R225 Y227R28-T30 WeakPolarHBondContact CD-O 3.37Å; T30-R225 CarbonylContact C-O 3.58Å; T30-R225 WeakPolarHBondContact CA-O 3.4Å; T30-R225 HydrophobicContact CG2-CB 3.99Å; T30-Y227 HydrophobicContact CG2-CD1 3.72Å; T30-Y227 HydrophobicContact CG2-CE1 3.4Å
31F95.2Very high93.5Very high0 Ų029.5 Ų29.50%015%0.146CC..EExtended strand (participates in β ladder)trans-115.8125.6-175.8-61.3-84.9000109.7R28 D39 P40 I41 I175 L224 R225 R226 Y227R28-F31 HydrophobicContact CG-CD1 4.38Å; R28-F31 HydrophobicContact CG-CE1 3.81Å; R28-F31 HydrophobicContact CG-CZ 3.99Å; F31-D39 HydrophobicContact CB-CB 4.19Å; F31-D39 HydrophobicContact CD1-CB 4.08Å; F31-P40 WeakPolarHBondContact CD1-O 3.24Å; F31-P40 WeakPolarHBondContact CE1-O 3.25Å; F31-I41 HydrophobicContact CD1-CG1 3.98Å; F31-I41 HydrophobicContact CD2-CG1 4.12Å; F31-I41 HydrophobicContact CE1-CB 4.02Å; F31-I41 HydrophobicContact CE1-CG1 3.77Å; F31-I41 HydrophobicContact CE1-CG2 4.26Å; F31-I41 HydrophobicContact CE2-CG1 3.9Å; F31-I41 HydrophobicContact CE2-CG2 4.43Å; F31-I41 HydrophobicContact CG-CG1 4.18Å; F31-I41 HydrophobicContact CZ-CB 4.02Å; F31-I41 HydrophobicContact CZ-CG1 3.72Å; F31-I41 HydrophobicContact CZ-CG2 3.81Å; F31-I175 HydrophobicContact CB-CD1 4.26Å; F31-I175 HydrophobicContact CG-CD1 4.45Å; F31-L224 HydrophobicContact CD2-CB 4.42Å; F31-L224 HydrophobicContact CE2-CB 4.25Å; F31-L224 HydrophobicContact CE2-CD1 3.98Å; F31-L224 HydrophobicContact CE2-CD2 4.09Å; F31-L224 HydrophobicContact CE2-CG 4.33Å; F31-R225 PolarHBondContact N-O 2.89Å; F31-R226 VanDerWaalsContact O-CA 3.31Å; F31-R226 WeakPolarHBondContact O-CA 3.41Å; F31-Y227 PolarHBondContact O-N 2.82Å
32V95.4Very high93.4Very high13 Ų1326.5 Ų26.58%0.07913%0.133CC..EExtended strand (participates in β ladder)trans-91.3133.6-174.4-174.50000109.8V38 D39 Y227 A229V32-V38 WeakPolarHBondContact O-CA 3.22Å; V32-D39 WeakPolarHBondContact CB-OD2 3.43Å; V32-D39 PolarHBondContact N-OD2 3.05Å; V32-D39 VanDerWaalsContact N-OD2 3.12Å; V32-D39 PolarHBondContact O-N 3.08Å; V32-Y227 HydrophobicContact CG1-CE2 4.03Å; V32-Y227 HydrophobicContact CG2-CE1 4.27Å; V32-Y227 HydrophobicContact CG2-CE2 4.23Å; V32-A229 HydrophobicContact CG1-CB 3.47Å; V32-A229 VanDerWaalsContact CG1-CB 3.47Å
33D95.1Very high93.4Very high0 Ų026.4 Ų26.40%013%0.132CC..EExtended strand (participates in β ladder)trans-93114.9166.4-178.8-43.2000108.3F35 V38 R226 Y227 I228 A229 K370D33-F35 PolarHBondContact O-N 3.4Å; D33-F35 WeakPolarHBondContact OD1-CA 3.37Å; D33-F35 PolarHBondContact OD1-N 2.94Å; D33-V38 HydrophobicContact CB-CG1 4.37Å; D33-V38 HydrophobicContact CB-CG2 3.91Å; D33-V38 WeakPolarHBondContact OD2-CG2 3.31Å; D33-R226 IonicContact OD2-CZ 2.84Å; D33-R226 IonicContact OD2-NE 3.66Å; D33-R226 IonicContact OD2-NH2 3.58Å; D33-R226 PolarHBondContact OD2-NH2 2.66Å; D33-Y227 WeakPolarHBondContact CB-O 3.46Å; D33-Y227 PolarHBondContact N-O 2.86Å; D33-I228 HydrophobicContact CB-CB 4.44Å; D33-I228 HydrophobicContact CB-CG1 3.95Å; D33-I228 WeakPolarHBondContact O-CA 3.43Å; D33-A229 PolarHBondContact O-N 3.15Å; D33-K370 VanDerWaalsContact CG-NZ 3.28Å; D33-K370 IonicContact OD1-NZ 2.64Å; D33-K370 PolarHBondContact OD1-NZ 3.17Å; D33-K370 IonicContact OD2-NZ 3.01Å; D33-K370 PolarHBondContact OD2-NZ 2.6Å
34H93.3Very high93.3Very high42 Ų4226 Ų2619%0.19413%0.13CC..  trans-87.119.2-179.6-66.2-85.8000112.5D36 H37 D39 E435H34-D36 PolarHBondContact O-N 3.38Å; H34-D36 VanDerWaalsContact O-OD1 3.07Å; H34-H37 AromaticContact CD2-CE1 3.81Å; H34-H37 AromaticContact CD2-NE2 3.61Å; H34-H37 AromaticContact CG-CE1 3.73Å; H34-H37 PolarHBondContact N-O 2.87Å; H34-D39 IonicContact NE2-OD1 2.74Å; H34-E435 IonicContact CE1-OE1 2.75Å; H34-E435 IonicContact CG-OE1 2.79Å; H34-E435 IonicContact ND1-OE1 3.02Å; H34-E435 PolarHBondContact ND1-OE1 3.26Å
35F91Very high93.3Very high23 Ų2326 Ų2610%0.10113%0.13CC..SBendtrans73.6-51.8-172.1-164.7-99.8000114.2D33 I368 K370 S372 S373 F375 C378D33-F35 PolarHBondContact O-N 3.4Å; D33-F35 WeakPolarHBondContact OD1-CA 3.37Å; D33-F35 PolarHBondContact OD1-N 2.94Å; F35-I368 HydrophobicContact CE2-CG2 4.39Å; F35-K370 HydrophobicContact CD2-CD 4.32Å; F35-K370 HydrophobicContact CD2-CG 4.19Å; F35-K370 HydrophobicContact CE2-CB 4.44Å; F35-K370 HydrophobicContact CE2-CD 4.24Å; F35-K370 HydrophobicContact CE2-CG 3.69Å; F35-K370 HydrophobicContact CZ-CG 4.23Å; F35-K370 WeakPolarHBondContact O-CE 3.31Å; F35-K370 PolarHBondContact O-NZ 2.79Å; F35-S372 WeakPolarHBondContact CZ-O 3.38Å; F35-S373 WeakPolarHBondContact CE1-O 3.29Å; F35-F375 HydrophobicContact CB-CB 4.49Å; F35-F375 HydrophobicContact CB-CD2 4.27Å; F35-F375 HydrophobicContact CB-CG 4.32Å; F35-F375 HydrophobicContact CD1-CB 3.84Å; F35-F375 HydrophobicContact CD1-CD2 4.48Å; F35-F375 HydrophobicContact CD1-CG 4.43Å; F35-F375 HydrophobicContact CD2-CB 4.2Å; F35-F375 AromaticContact CD2-CD2 3.31Å; F35-F375 HydrophobicContact CD2-CD2 3.31Å; F35-F375 AromaticContact CD2-CE2 3.92Å; F35-F375 HydrophobicContact CD2-CE2 3.92Å; F35-F375 HydrophobicContact CD2-CG 4.02Å; F35-F375 HydrophobicContact CE1-CB 4.01Å; F35-F375 HydrophobicContact CE2-CB 4.35Å; F35-F375 AromaticContact CE2-CD2 3.61Å; F35-F375 HydrophobicContact CE2-CD2 3.61Å; F35-F375 HydrophobicContact CE2-CE2 4.4Å; F35-F375 HydrophobicContact CE2-CG 4.4Å; F35-F375 HydrophobicContact CG-CB 3.93Å; F35-F375 AromaticContact CG-CD2 3.79Å; F35-F375 HydrophobicContact CG-CD2 3.79Å; F35-F375 HydrophobicContact CG-CG 4.02Å; F35-F375 HydrophobicContact CZ-CB 4.25Å; F35-F375 HydrophobicContact CZ-CD2 4.32Å; F35-C378 HydrophobicContact CE2-CB 4.27Å; F35-C378 HydrophobicContact CZ-CB 4.35Å
36D89.8Confident93.3Very high120 Ų12026.2 Ų26.264%0.64213%0.132SC*.SBendtrans-84-31.5179.768.4-32.1000113.4H34 T177H34-D36 PolarHBondContact O-N 3.38Å; H34-D36 VanDerWaalsContact O-OD1 3.07Å; D36-T177 WeakPolarHBondContact O-CG2 3.32Å
37H92.2Very high93.2Very high89 Ų8926.6 Ų26.641%0.41213%0.133SC..  trans-144167.6176.170.2-71.2000111.8H34H34-H37 AromaticContact CD2-CE1 3.81Å; H34-H37 AromaticContact CD2-NE2 3.61Å; H34-H37 AromaticContact CG-CE1 3.73Å; H34-H37 PolarHBondContact N-O 2.87Å
38V93.9Very high93.4Very high11 Ų1127 Ų277%0.06714%0.137CC..BIsolated β-bridgetrans-117.8139.4172.8-170.40000108.4V32 D33 I175 T177 R226V32-V38 WeakPolarHBondContact O-CA 3.22Å; D33-V38 HydrophobicContact CB-CG1 4.37Å; D33-V38 HydrophobicContact CB-CG2 3.91Å; D33-V38 WeakPolarHBondContact OD2-CG2 3.31Å; V38-I175 HydrophobicContact CB-CB 4.17Å; V38-I175 WeakPolarHBondContact CB-O 3.27Å; V38-I175 HydrophobicContact CG1-CB 3.97Å; V38-I175 HydrophobicContact CG1-CD1 4.18Å; V38-I175 WeakPolarHBondContact CG2-O 3.43Å; V38-T177 HydrophobicContact CG2-CG2 4.03Å; V38-R226 HydrophobicContact CG1-CG 4.43Å
39D94.1Very high93.5Very high33 Ų3327.4 Ų27.418%0.17614%0.143CC..  trans-48.7124.5170.2-81.1-34.3000110.2F31 V32 H34F31-D39 HydrophobicContact CB-CB 4.19Å; F31-D39 HydrophobicContact CD1-CB 4.08Å; V32-D39 WeakPolarHBondContact CB-OD2 3.43Å; V32-D39 PolarHBondContact N-OD2 3.05Å; V32-D39 VanDerWaalsContact N-OD2 3.12Å; V32-D39 PolarHBondContact O-N 3.08Å; H34-D39 IonicContact NE2-OD1 2.74Å
40P93.6Very high93.4Very high31 Ų3129.7 Ų29.720%0.20116%0.156CC..  trans-68.9151.4177.628.6-34.3000111F31 D42 R172 I173F31-P40 WeakPolarHBondContact CD1-O 3.24Å; F31-P40 WeakPolarHBondContact CE1-O 3.25Å; P40-D42 PolarHBondContact O-N 3.22Å; P40-R172 HydrophobicContact CB-CG 3.86Å; P40-I173 WeakPolarHBondContact CA-O 3.11Å
41I94.3Very high93.2Very high0 Ų028 Ų280%015%0.146CC..EExtended strand (participates in β ladder)trans-85.297.7169.5-51.9169.6000107.8L26 F31 F61 F171 R172 I173 I175 L202 L224L26-I41 HydrophobicContact CD2-CG2 3.84Å; F31-I41 HydrophobicContact CD1-CG1 3.98Å; F31-I41 HydrophobicContact CD2-CG1 4.12Å; F31-I41 HydrophobicContact CE1-CB 4.02Å; F31-I41 HydrophobicContact CE1-CG1 3.77Å; F31-I41 HydrophobicContact CE1-CG2 4.26Å; F31-I41 HydrophobicContact CE2-CG1 3.9Å; F31-I41 HydrophobicContact CE2-CG2 4.43Å; F31-I41 HydrophobicContact CG-CG1 4.18Å; F31-I41 HydrophobicContact CZ-CB 4.02Å; F31-I41 HydrophobicContact CZ-CG1 3.72Å; F31-I41 HydrophobicContact CZ-CG2 3.81Å; I41-F61 HydrophobicContact CD1-CD2 3.59Å; I41-F61 HydrophobicContact CD1-CE2 3.3Å; I41-F61 HydrophobicContact CD1-CG 4.47Å; I41-F61 HydrophobicContact CD1-CZ 3.98Å; I41-F171 HydrophobicContact CG2-CE2 4.35Å; I41-R172 CarbonylContact O-C 3.57Å; I41-R172 WeakPolarHBondContact O-CA 3.31Å; I41-I173 HydrophobicContact CB-CB 4.13Å; I41-I173 HydrophobicContact CD1-CB 4.38Å; I41-I173 PolarHBondContact N-O 3.04Å; I41-I173 PolarHBondContact O-N 2.89Å; I41-I175 HydrophobicContact CD1-CD1 3.85Å; I41-I175 HydrophobicContact CD1-CG1 4.05Å; I41-I175 HydrophobicContact CG1-CD1 3.97Å; I41-I175 HydrophobicContact CG1-CG1 4.23Å; I41-L202 HydrophobicContact CG2-CD2 4.44Å; I41-L224 HydrophobicContact CD1-CD1 3.6Å; I41-L224 HydrophobicContact CG1-CD1 4.38Å
42D92.6Very high92.7Very high5 Ų529.3 Ų29.33%0.02715%0.152CC..EExtended strand (participates in β ladder)trans-91.3129.7170.9-75.7-67.6000110.7L26 P40 L154 F156 R172L26-D42 WeakPolarHBondContact CD2-O 3.43Å; P40-D42 PolarHBondContact O-N 3.22Å; D42-L154 HydrophobicContact CB-CD1 3.58Å; D42-L154 WeakPolarHBondContact OD2-CD1 3.31Å; D42-F156 HydrophobicContact CB-CE1 4.4Å; D42-F156 HydrophobicContact CB-CZ 4.36Å; D42-R172 IonicContact OD1-CZ 2.63Å; D42-R172 VanDerWaalsContact OD1-CZ 3.28Å; D42-R172 IonicContact OD1-NE 3.52Å; D42-R172 PolarHBondContact OD1-NE 2.72Å; D42-R172 IonicContact OD1-NH2 3.66Å; D42-R172 PolarHBondContact OD1-NH2 2.86Å; D42-R172 IonicContact OD2-NE 3.17Å; D42-R172 IonicContact OD2-NH2 3.28Å
43G93.8Very high92.2Very high0 Ų034.2 Ų34.20%018%0.177CC..EExtended strand (participates in β ladder)trans-152.9173.3178.700000114.4F25 Q157 P170 F171F25-G43 CarbonylContact O-C 3.38Å; F25-G43 WeakPolarHBondContact O-CA 3.01Å; G43-Q157 PolarHBondContact O-NE2 2.75Å; G43-Q157 VanDerWaalsContact O-NE2 3.12Å; G43-P170 WeakPolarHBondContact O-CA 3.43Å; G43-F171 PolarHBondContact N-O 3.29Å; G43-F171 PolarHBondContact O-N 2.6Å
44I93.5Very high91.6Very high0 Ų038.2 Ų38.20%020%0.202CC..EExtended strand (participates in β ladder)trans-127.7133.2170-68.8-122.6000108.5F25 T46 Q157 L160 L161 A168 F169 P170F25-I44 HydrophobicContact CB-CB 4.26Å; F25-I44 HydrophobicContact CD2-CG2 4.38Å; F25-I44 PolarHBondContact N-O 3.28Å; F25-I44 PolarHBondContact O-N 2.92Å; I44-T46 HydrophobicContact CG2-CG2 3.88Å; I44-Q157 HydrophobicContact CD1-CB 3.84Å; I44-Q157 HydrophobicContact CD1-CG 4.22Å; I44-Q157 WeakPolarHBondContact CD1-O 3.49Å; I44-Q157 HydrophobicContact CG1-CB 3.96Å; I44-Q157 HydrophobicContact CG1-CG 3.77Å; I44-L160 HydrophobicContact CB-CD1 4.05Å; I44-L160 HydrophobicContact CD1-CB 3.97Å; I44-L160 HydrophobicContact CG1-CB 4.31Å; I44-L160 HydrophobicContact CG1-CD1 4.24Å; I44-L160 HydrophobicContact CG2-CB 4.27Å; I44-L160 HydrophobicContact CG2-CD1 4.36Å; I44-L161 HydrophobicContact CD1-CD1 4.15Å; I44-L161 HydrophobicContact CD1-CD2 4.23Å; I44-L161 HydrophobicContact CD1-CG 3.66Å; I44-A168 HydrophobicContact CG2-CB 4.02Å; I44-F169 WeakPolarHBondContact CA-O 3.37Å; I44-P170 HydrophobicContact CD1-CB 4.14Å; I44-P170 HydrophobicContact CG1-CB 4.48Å
45L94.5Very high91.2Very high0 Ų039.1 Ų39.10%021%0.206CC..EExtended strand (participates in β ladder)trans-101.8129.2163.7-178.9141.8000109L22 S23 L24 M47 V57 L90 A168 F169 F171 A204L22-L45 HydrophobicContact CD2-CD2 4.32Å; S23-L45 CarbonylContact O-C 3.38Å; S23-L45 WeakPolarHBondContact O-CA 3.39Å; L24-L45 HydrophobicContact CD2-CB 4.13Å; L24-L45 HydrophobicContact CD2-CD1 3.95Å; L24-L45 HydrophobicContact CD2-CG 4.39Å; L45-M47 HydrophobicContact CD2-CE 3.65Å; L45-V57 HydrophobicContact CD1-CG1 3.77Å; L45-V57 HydrophobicContact CD2-CG1 3.8Å; L45-V57 HydrophobicContact CG-CG1 4.47Å; L45-L90 HydrophobicContact CB-CD1 3.96Å; L45-L90 HydrophobicContact CD1-CD1 4.06Å; L45-L90 HydrophobicContact CG-CD1 4.44Å; L45-A168 CarbonylContact O-C 3.49Å; L45-A168 WeakPolarHBondContact O-CA 3.3Å; L45-F169 HydrophobicContact CD2-CD2 4.32Å; L45-F169 PolarHBondContact N-O 3.14Å; L45-F169 PolarHBondContact O-N 3.44Å; L45-F171 HydrophobicContact CB-CE1 4.37Å; L45-A204 HydrophobicContact CD1-CB 3.46Å; L45-A204 VanDerWaalsContact CD1-CB 3.46Å
46T94.6Very high91Very high11 Ų1142 Ų427%0.06722%0.217CC..EExtended strand (participates in β ladder)trans-110.1145.2169.167.90000110.3L22 S23 F25 I44 H164 L167 A168L22-T46 CarbonylContact C-O 3.46Å; L22-T46 WeakPolarHBondContact CA-O 3.5Å; S23-T46 WeakPolarHBondContact CB-OG1 3.32Å; S23-T46 PolarHBondContact N-O 3.23Å; S23-T46 PolarHBondContact O-N 2.83Å; F25-T46 HydrophobicContact CD2-CG2 4.09Å; F25-T46 HydrophobicContact CE2-CG2 3.58Å; F25-T46 HydrophobicContact CZ-CG2 4.49Å; I44-T46 HydrophobicContact CG2-CG2 3.88Å; T46-H164 HydrophobicContact CG2-CB 4.14Å; T46-L167 CarbonylContact C-O 3.56Å; T46-L167 VanDerWaalsContact CA-O 3.24Å; T46-L167 WeakPolarHBondContact CA-O 3.48Å; T46-A168 HydrophobicContact CG2-CB 4.1Å
47M94Very high91Very high8 Ų836.3 Ų36.34%0.03919%0.187CC..EExtended strand (participates in β ladder)trans-129.8161.7174.767.1-173.864.400112.5K21 L22 L45 V51 K52 V57 W91 L167 F169K21-M47 CarbonylContact O-C 3.57Å; K21-M47 VanDerWaalsContact O-CA 3.25Å; K21-M47 WeakPolarHBondContact O-CA 3.26Å; L22-M47 HydrophobicContact CD2-CB 3.54Å; L45-M47 HydrophobicContact CD2-CE 3.65Å; M47-V51 HydrophobicContact CB-CB 4.46Å; M47-V51 HydrophobicContact CB-CG1 4.44Å; M47-V51 HydrophobicContact SD-CG1 4.4Å; M47-K52 HydrophobicContact CG-CB 4.46Å; M47-K52 HydrophobicContact SD-CB 3.94Å; M47-K52 HydrophobicContact SD-CG 4.47Å; M47-V57 HydrophobicContact CE-CB 3.82Å; M47-V57 HydrophobicContact CE-CG1 4.17Å; M47-V57 HydrophobicContact CE-CG2 3.49Å; M47-V57 VanDerWaalsContact CE-CG2 3.49Å; M47-V57 HydrophobicContact SD-CG2 4.09Å; M47-W91 HydrophobicContact CE-CB 3.76Å; M47-W91 HydrophobicContact CE-CG 4.2Å; M47-W91 HydrophobicContact SD-CB 4.4Å; M47-W91 HydrophobicContact SD-CG 4.19Å; M47-L167 HydrophobicContact CG-CD2 4.4Å; M47-L167 PolarHBondContact N-O 3.14Å; M47-L167 WeakPolarHBondContact O-CB 3.18Å; M47-F169 HydrophobicContact CE-CD2 3.66Å; M47-F169 HydrophobicContact CE-CE2 3.34Å; M47-F169 HydrophobicContact CE-CZ 4.11Å; M47-F169 HydrophobicContact CG-CE2 4.07Å; M47-F169 HydrophobicContact SD-CE2 3.82Å; M47-F169 HydrophobicContact SD-CZ 4.38Å
48T94.1Very high90.9Very high47 Ų4733 Ų3329%0.28817%0.171SC..  trans-81.4158.917051.80000111.5K21 D50 V51 K52K21-T48 WeakPolarHBondContact CB-OG1 3.03Å; K21-T48 PolarHBondContact O-N 3.21Å; K21-T48 PolarHBondContact O-OG1 3.4Å; T48-D50 VanDerWaalsContact C-N 3.26Å; T48-D50 WeakPolarHBondContact CB-OD1 3.41Å; T48-D50 PolarHBondContact O-N 3.06Å; T48-D50 PolarHBondContact OG1-OD1 3.09Å; T48-V51 PolarHBondContact O-N 2.78Å; T48-K52 PolarHBondContact O-N 3.4Å
49Q92.3Very high90.8Very high90 Ų9032.5 Ų32.542%0.42117%0.168SC..Hα-helixtrans-63.1-31.1-176-17265.24600113.3N53Q49-N53 PolarHBondContact NE2-OD1 2.9Å; Q49-N53 PolarHBondContact O-N 2.74Å; Q49-N53 PolarHBondContact O-ND2 3.24Å; Q49-N53 PolarHBondContact O-OD1 3.06Å
50D90.6Very high90.6Very high65 Ų6531.7 Ų31.735%0.34816%0.163SC..Hα-helixtrans-64.4-48.7177.160-46.2000111.1K21 T48 K52 N53 T54K21-D50 WeakPolarHBondContact CD-OD2 3.13Å; K21-D50 VanDerWaalsContact CE-OD2 3.25Å; K21-D50 WeakPolarHBondContact CE-OD2 3.34Å; K21-D50 IonicContact NZ-OD2 3.21Å; K21-D50 PolarHBondContact NZ-OD2 3.25Å; T48-D50 VanDerWaalsContact C-N 3.26Å; T48-D50 WeakPolarHBondContact CB-OD1 3.41Å; T48-D50 PolarHBondContact O-N 3.06Å; T48-D50 PolarHBondContact OG1-OD1 3.09Å; D50-K52 VanDerWaalsContact C-N 3.3Å; D50-K52 PolarHBondContact O-N 3.17Å; D50-N53 PolarHBondContact O-N 2.85Å; D50-T54 PolarHBondContact O-N 3.33Å; D50-T54 PolarHBondContact O-OG1 3.17Å
51V88.8Confident90.6Very high1 Ų130.3 Ų30.31%0.00615%0.154CC..Hα-helixtrans-57.2-45.91761760000110.9K21 L22 M47 T48 N53 T54 E55 V57 A206K21-V51 HydrophobicContact CB-CG2 3.73Å; K21-V51 HydrophobicContact CD-CG2 3.74Å; K21-V51 HydrophobicContact CG-CG2 4.32Å; L22-V51 HydrophobicContact CD2-CG1 4.19Å; M47-V51 HydrophobicContact CB-CB 4.46Å; M47-V51 HydrophobicContact CB-CG1 4.44Å; M47-V51 HydrophobicContact SD-CG1 4.4Å; T48-V51 PolarHBondContact O-N 2.78Å; V51-N53 PolarHBondContact O-N 3.49Å; V51-N53 VanDerWaalsContact O-N 3.14Å; V51-T54 PolarHBondContact O-N 2.93Å; V51-T54 VanDerWaalsContact O-N 3.15Å; V51-E55 HydrophobicContact CG1-CB 4.22Å; V51-E55 PolarHBondContact O-N 2.94Å; V51-V57 HydrophobicContact CG1-CG2 3.53Å; V51-A206 HydrophobicContact CG1-CB 3.78Å
52K86.2Confident90.5Very high26 Ų2630.9 Ų30.911%0.11316%0.158CC..Hα-helixtrans-55-33.9178.5-176.4170.1176.9169.50112.8M47 T48 D50 W91 D166 L167M47-K52 HydrophobicContact CG-CB 4.46Å; M47-K52 HydrophobicContact SD-CB 3.94Å; M47-K52 HydrophobicContact SD-CG 4.47Å; T48-K52 PolarHBondContact O-N 3.4Å; D50-K52 VanDerWaalsContact C-N 3.3Å; D50-K52 PolarHBondContact O-N 3.17Å; K52-W91 HydrophobicContact CD-CH2 4.16Å; K52-W91 HydrophobicContact CD-CZ2 4.25Å; K52-W91 HydrophobicContact CG-CD2 4.35Å; K52-W91 HydrophobicContact CG-CH2 3.81Å; K52-W91 HydrophobicContact CG-CZ2 3.39Å; K52-W91 HydrophobicContact CG-CZ3 4.4Å; K52-W91 WeakPolarHBondContact O-CZ2 3.33Å; K52-W91 PolarHBondContact O-NE1 2.81Å; K52-D166 PolarHBondContact NZ-O 3.35Å; K52-D166 IonicContact NZ-OD2 3.78Å; K52-D166 PolarHBondContact NZ-OD2 2.83Å; K52-L167 HydrophobicContact CB-CD2 4.34Å; K52-L167 HydrophobicContact CD-CD2 3.58Å
53N84.8Confident90.5Very high116 Ų11630.6 Ų30.662%0.6216%0.157SC*.Hα-helixtrans-86.3-21.3-176.2-66.1-18000113.5Q49 D50 V51Q49-N53 PolarHBondContact NE2-OD1 2.9Å; Q49-N53 PolarHBondContact O-N 2.74Å; Q49-N53 PolarHBondContact O-ND2 3.24Å; Q49-N53 PolarHBondContact O-OD1 3.06Å; D50-N53 PolarHBondContact O-N 2.85Å; V51-N53 PolarHBondContact O-N 3.49Å; V51-N53 VanDerWaalsContact O-N 3.14Å
54T82.4Confident90.3Very high85 Ų8530.9 Ų30.952%0.52116%0.158SC..Hα-helixtrans-125-23.3-16658.10000115.2D50 V51 Q208D50-T54 PolarHBondContact O-N 3.33Å; D50-T54 PolarHBondContact O-OG1 3.17Å; V51-T54 PolarHBondContact O-N 2.93Å; V51-T54 VanDerWaalsContact O-N 3.15Å; T54-Q208 PolarHBondContact O-NE2 3.27Å
55E83.6Confident90.1Very high60 Ų6030.9 Ų30.928%0.2816%0.158SC..  trans-131.2157.2-168.4-65.5-170-158.500112.6V51 W91 A206 G207V51-E55 HydrophobicContact CG1-CB 4.22Å; V51-E55 PolarHBondContact O-N 2.94Å; E55-W91 VanDerWaalsContact O-CD1 3.24Å; E55-A206 HydrophobicContact CB-CB 4.25Å; E55-A206 WeakPolarHBondContact OE2-CB 3.12Å; E55-G207 PolarHBondContact OE2-N 2.91Å
56Y88.1Confident89.6Confident85 Ų8531.7 Ų31.733%0.33316%0.161SC..EExtended strand (participates in β ladder)trans-85.3148.1165.1-59.5-95000108.6F58 W91 P92 A206 G207Y56-F58 HydrophobicContact CG-CZ 4.29Å; Y56-W91 WeakPolarHBondContact CA-O 3.43Å; Y56-P92 HydrophobicContact CD1-CG 4.36Å; Y56-P92 HydrophobicContact CE1-CG 4.15Å; Y56-A206 WeakPolarHBondContact O-CA 3.45Å; Y56-G207 VanDerWaalsContact CB-O 3.3Å; Y56-G207 WeakPolarHBondContact CB-O 3.21Å; Y56-G207 PolarHBondContact N-O 3.14Å; Y56-G207 VanDerWaalsContact N-O 3.09Å; Y56-G207 PolarHBondContact O-N 2.91Å
57V89.8Confident88.7Confident0 Ų032.8 Ų32.80%017%0.165CC..EExtended strand (participates in β ladder)trans-115.9121.9174.6-178.20000109.3L22 L45 M47 V51 C89 L90 W91 A206L22-V57 HydrophobicContact CD1-CG1 4.11Å; L22-V57 HydrophobicContact CD2-CG1 4.08Å; L22-V57 HydrophobicContact CD2-CG2 4.07Å; L45-V57 HydrophobicContact CD1-CG1 3.77Å; L45-V57 HydrophobicContact CD2-CG1 3.8Å; L45-V57 HydrophobicContact CG-CG1 4.47Å; M47-V57 HydrophobicContact CE-CB 3.82Å; M47-V57 HydrophobicContact CE-CG1 4.17Å; M47-V57 HydrophobicContact CE-CG2 3.49Å; M47-V57 VanDerWaalsContact CE-CG2 3.49Å; M47-V57 HydrophobicContact SD-CG2 4.09Å; V51-V57 HydrophobicContact CG1-CG2 3.53Å; V57-C89 CarbonylContact O-C 3.57Å; V57-L90 PolarHBondContact O-N 3.36Å; V57-W91 HydrophobicContact CB-CB 4.08Å; V57-W91 HydrophobicContact CG2-CB 4.35Å; V57-W91 PolarHBondContact N-O 2.76Å; V57-W91 VanDerWaalsContact N-O 3.12Å; V57-W91 PolarHBondContact O-N 3.24Å; V57-A206 HydrophobicContact CG2-CB 4.31Å
58F89.2Confident87.3Confident18 Ų1833 Ų338%0.07917%0.169CC..EExtended strand (participates in β ladder)trans-108143.9-178.9-59.2-82.4000110.4Y56 K88 C89 A204 F205 L210Y56-F58 HydrophobicContact CG-CZ 4.29Å; F58-K88 CarbonylContact C-O 3.58Å; F58-K88 VanDerWaalsContact CA-O 3.29Å; F58-K88 WeakPolarHBondContact CA-O 3.22Å; F58-C89 HydrophobicContact CD1-CB 3.94Å; F58-C89 HydrophobicContact CE1-CB 3.86Å; F58-A204 VanDerWaalsContact O-CA 3.26Å; F58-A204 WeakPolarHBondContact O-CA 3.3Å; F58-F205 HydrophobicContact CB-CD1 4.08Å; F58-F205 HydrophobicContact CB-CE1 3.54Å; F58-F205 HydrophobicContact CB-CE2 4.44Å; F58-F205 HydrophobicContact CB-CZ 3.76Å; F58-F205 HydrophobicContact CD2-CD2 4.35Å; F58-F205 HydrophobicContact CD2-CE1 4.26Å; F58-F205 AromaticContact CD2-CE2 3.65Å; F58-F205 HydrophobicContact CD2-CE2 3.65Å; F58-F205 AromaticContact CD2-CZ 3.59Å; F58-F205 HydrophobicContact CD2-CZ 3.59Å; F58-F205 HydrophobicContact CE2-CE2 4.35Å; F58-F205 HydrophobicContact CE2-CZ 4.46Å; F58-F205 HydrophobicContact CG-CE1 4.19Å; F58-F205 HydrophobicContact CG-CE2 4.38Å; F58-F205 AromaticContact CG-CZ 3.88Å; F58-F205 HydrophobicContact CG-CZ 3.88Å; F58-F205 PolarHBondContact N-O 3.2Å; F58-F205 PolarHBondContact O-N 2.8Å; F58-F205 VanDerWaalsContact O-N 3.08Å; F58-L210 HydrophobicContact CB-CD1 4.46Å; F58-L210 HydrophobicContact CD1-CD1 3.96Å; F58-L210 HydrophobicContact CE1-CB 4.21Å; F58-L210 HydrophobicContact CE1-CD1 4.46Å; F58-L210 HydrophobicContact CG-CD1 4.2Å; F58-L210 HydrophobicContact CZ-CB 4.44Å
59L91.2Very high85.8Confident1 Ų134.4 Ų34.41%0.00517%0.169CC..EExtended strand (participates in β ladder)trans-118.1125.9169.2-172.672.2000108L24 T87 K88 L90 F171 I173 L202 T203 A204L24-L59 HydrophobicContact CD2-CD1 3.93Å; L59-T87 CarbonylContact O-C 3.46Å; L59-T87 WeakPolarHBondContact O-CA 3.39Å; L59-K88 PolarHBondContact N-O 2.99Å; L59-K88 PolarHBondContact O-N 2.95Å; L59-L90 HydrophobicContact CB-CD1 3.71Å; L59-L90 HydrophobicContact CB-CG 3.96Å; L59-L90 HydrophobicContact CD2-CD1 4.09Å; L59-L90 HydrophobicContact CG-CD1 4.35Å; L59-F171 HydrophobicContact CD2-CB 4.27Å; L59-F171 HydrophobicContact CD2-CD1 3.95Å; L59-F171 HydrophobicContact CD2-CD2 3.61Å; L59-F171 HydrophobicContact CD2-CE1 4.15Å; L59-F171 HydrophobicContact CD2-CE2 3.84Å; L59-F171 HydrophobicContact CD2-CG 3.66Å; L59-F171 HydrophobicContact CD2-CZ 4.11Å; L59-I173 HydrophobicContact CD2-CD1 4.02Å; L59-L202 HydrophobicContact CD1-CD1 3.71Å; L59-L202 HydrophobicContact CD1-CD2 4.41Å; L59-L202 HydrophobicContact CD1-CG 3.94Å; L59-L202 HydrophobicContact CD2-CD1 4.14Å; L59-L202 HydrophobicContact CG-CD1 3.89Å; L59-T203 CarbonylContact C-O 3.54Å; L59-T203 WeakPolarHBondContact CA-O 3.1Å; L59-A204 HydrophobicContact CD1-CB 4.03Å
60I91.5Very high84.2Confident16 Ų1632.3 Ų32.38%0.08216%0.161CC..EExtended strand (participates in β ladder)trans-120.4124.1178.4-59-179.3000108.1T62 L85 Y86 T87 L202 T203 F205 L210I60-T62 WeakPolarHBondContact CG2-OG1 3.41Å; I60-L85 HydrophobicContact CG2-CD1 3.6Å; I60-Y86 CarbonylContact C-O 3.6Å; I60-Y86 VanDerWaalsContact CA-O 3.24Å; I60-Y86 WeakPolarHBondContact CA-O 3.21Å; I60-T87 HydrophobicContact CG1-CG2 4.25Å; I60-L202 CarbonylContact O-C 3.53Å; I60-L202 WeakPolarHBondContact O-CA 3.42Å; I60-T203 PolarHBondContact N-O 2.89Å; I60-T203 PolarHBondContact O-N 2.79Å; I60-F205 HydrophobicContact CD1-CD1 4.44Å; I60-F205 HydrophobicContact CD1-CE1 3.65Å; I60-F205 HydrophobicContact CG1-CE1 4.22Å; I60-L210 HydrophobicContact CD1-CD1 4.15Å
61F93.3Very high82.6Confident2 Ų233.1 Ų33.11%0.00917%0.165CC..EExtended strand (participates in β ladder)trans-108.5125.5166.4165.3-98.2000108.8I41 Y86 I173 I175 Y200 T201 L202 L224I41-F61 HydrophobicContact CD1-CD2 3.59Å; I41-F61 HydrophobicContact CD1-CE2 3.3Å; I41-F61 HydrophobicContact CD1-CG 4.47Å; I41-F61 HydrophobicContact CD1-CZ 3.98Å; F61-Y86 HydrophobicContact CB-CD1 4.09Å; F61-Y86 PolarHBondContact N-O 2.56Å; F61-Y86 PolarHBondContact O-N 2.94Å; F61-I173 HydrophobicContact CB-CD1 3.75Å; F61-I173 HydrophobicContact CD1-CG2 4.12Å; F61-I173 HydrophobicContact CG-CD1 4.36Å; F61-I173 HydrophobicContact CG-CG2 4.29Å; F61-I175 HydrophobicContact CE1-CG1 4.46Å; F61-I175 HydrophobicContact CE2-CD1 4.46Å; F61-I175 HydrophobicContact CZ-CD1 4.04Å; F61-I175 HydrophobicContact CZ-CG1 3.88Å; F61-I175 HydrophobicContact CZ-CG2 4.39Å; F61-Y200 HydrophobicContact CE1-CD1 4.31Å; F61-Y200 HydrophobicContact CE1-CE1 4.49Å; F61-Y200 AromaticContact CE2-CD1 3.64Å; F61-Y200 HydrophobicContact CE2-CD1 3.64Å; F61-Y200 HydrophobicContact CE2-CE1 4.47Å; F61-Y200 HydrophobicContact CE2-CG 4.48Å; F61-Y200 AromaticContact CZ-CD1 3.35Å; F61-Y200 HydrophobicContact CZ-CD1 3.35Å; F61-Y200 AromaticContact CZ-CE1 3.75Å; F61-Y200 HydrophobicContact CZ-CE1 3.75Å; F61-T201 WeakPolarHBondContact CA-O 3.3Å; F61-L202 HydrophobicContact CB-CD1 4.02Å; F61-L224 HydrophobicContact CD2-CD1 4.27Å; F61-L224 HydrophobicContact CE2-CD1 4.13Å
62T92.3Very high81.2Confident12 Ų1237.2 Ų37.27%0.07419%0.187CC..EExtended strand (participates in β ladder)trans-127.1131-175.4-48.10000109.5I60 E82 L84 L85 Y200 T201I60-T62 WeakPolarHBondContact CG2-OG1 3.41Å; T62-E82 HydrophobicContact CG2-CG 4.26Å; T62-L84 WeakPolarHBondContact CA-O 3.33Å; T62-L85 HydrophobicContact CG2-CD1 4.23Å; T62-L85 WeakPolarHBondContact OG1-CD1 3.26Å; T62-Y200 CarbonylContact O-C 3.5Å; T62-Y200 VanDerWaalsContact O-CA 3.29Å; T62-Y200 WeakPolarHBondContact O-CA 3.21Å; T62-T201 PolarHBondContact N-O 2.76Å; T62-T201 PolarHBondContact O-N 2.67Å
63C92.9Very high80Confident0 Ų038.1 Ų38.10%019%0.192CC..EExtended strand (participates in β ladder)trans-102.7117.1158.7178.90000107.3L83 L84 S199 Y200C63-L83 HydrophobicContact CB-CB 4.39Å; C63-L83 PolarHBondContact O-N 3.44Å; C63-L84 HydrophobicContact CB-CB 3.78Å; C63-L84 HydrophobicContact CB-CD1 3.53Å; C63-L84 HydrophobicContact CB-CG 4.27Å; C63-L84 PolarHBondContact N-O 3.32Å; C63-L84 PolarHBondContact O-N 2.96Å; C63-L84 VanDerWaalsContact O-N 3.16Å; C63-S199 WeakPolarHBondContact CA-O 3.49Å; C63-Y200 HydrophobicContact CB-CD1 3.78Å; C63-Y200 HydrophobicContact CB-CE1 3.48Å; C63-Y200 VanDerWaalsContact CB-CE1 3.48Å
64S89.7Confident78.4Confident5 Ų537.9 Ų37.94%0.03520%0.195CC..EExtended strand (participates in β ladder)trans-123.1144.1-178.661.80000111K81 V198 S199S64-K81 WeakPolarHBondContact CA-O 3.48Å; S64-V198 WeakPolarHBondContact O-CA 3.38Å; S64-S199 PolarHBondContact N-O 2.66Å; S64-S199 PolarHBondContact O-N 2.81Å; S64-S199 PolarHBondContact OG-OG 2.82Å
65Y88.4Confident77.1Confident0 Ų041.4 Ų41.40%021%0.21CC..EExtended strand (participates in β ladder)trans-103.4118.5167.9176.3-92.2000108.6F67 Q80 K81 G197 V198 M302 L304 L305 V406Y65-F67 HydrophobicContact CD1-CB 4.32Å; Y65-F67 HydrophobicContact CE1-CB 3.58Å; Y65-F67 HydrophobicContact CE1-CG 4.47Å; Y65-Q80 CarbonylContact O-C 3.58Å; Y65-Q80 VanDerWaalsContact O-CA 3.28Å; Y65-Q80 WeakPolarHBondContact O-CA 3.34Å; Y65-K81 PolarHBondContact N-O 3.47Å; Y65-K81 PolarHBondContact O-N 3.11Å; Y65-G197 CarbonylContact C-O 3.6Å; Y65-G197 VanDerWaalsContact CA-O 3.28Å; Y65-G197 WeakPolarHBondContact CA-O 3.48Å; Y65-V198 HydrophobicContact CD2-CG2 4.01Å; Y65-M302 WeakPolarHBondContact OH-CE 3.19Å; Y65-L304 HydrophobicContact CD1-CB 3.93Å; Y65-L304 HydrophobicContact CD1-CD2 3.52Å; Y65-L304 HydrophobicContact CD1-CG 4.38Å; Y65-L304 HydrophobicContact CD2-CD2 4.31Å; Y65-L304 HydrophobicContact CE1-CB 3.65Å; Y65-L304 HydrophobicContact CE1-CD2 4.15Å; Y65-L304 HydrophobicContact CE2-CB 4.38Å; Y65-L304 HydrophobicContact CG-CB 4.39Å; Y65-L304 HydrophobicContact CG-CD2 3.6Å; Y65-L305 HydrophobicContact CD1-CD1 4.35Å; Y65-L305 HydrophobicContact CE1-CD1 4.16Å; Y65-V406 HydrophobicContact CD2-CG2 4.17Å; Y65-V406 HydrophobicContact CE2-CG2 3.56Å
66R83.2Confident75.7Confident18 Ų1842.1 Ų42.17%0.06823%0.233CC..EExtended strand (participates in β ladder)trans-108.5129.6176.1-164.2171.9-176.97513.1109.9D70 D73 F79 G197R66-D70 IonicContact CZ-OD1 3.73Å; R66-D70 IonicContact NE-OD1 3.6Å; R66-D70 PolarHBondContact NE-OD1 2.81Å; R66-D70 IonicContact NH2-OD1 2.77Å; R66-D70 PolarHBondContact NH2-OD1 2.82Å; R66-D70 IonicContact NH2-OD2 3.35Å; R66-D73 IonicContact CZ-OD2 3.53Å; R66-D73 IonicContact NH1-OD2 3.77Å; R66-D73 PolarHBondContact NH1-OD2 3.49Å; R66-D73 IonicContact NH2-OD2 2.66Å; R66-D73 PolarHBondContact NH2-OD2 3.05Å; R66-F79 CarbonylContact C-O 3.54Å; R66-F79 WeakPolarHBondContact CA-O 3.45Å; R66-G197 PolarHBondContact N-O 3.06Å; R66-G197 PolarHBondContact O-N 3.44Å
67F76Confident74.2Confident34 Ų3443.2 Ų43.215%0.14924%0.244CC..  trans-128.1109.1-178.9171.8-99.6000111.4Y65 F79 M302 L305 T306Y65-F67 HydrophobicContact CD1-CB 4.32Å; Y65-F67 HydrophobicContact CE1-CB 3.58Å; Y65-F67 HydrophobicContact CE1-CG 4.47Å; F67-F79 AromaticContact CD1-CD1 3.76Å; F67-F79 HydrophobicContact CD1-CD1 3.76Å; F67-F79 HydrophobicContact CD1-CE1 4.09Å; F67-F79 HydrophobicContact CE1-CD1 4.35Å; F67-F79 HydrophobicContact CE1-CE1 4.24Å; F67-F79 PolarHBondContact N-O 3.08Å; F67-F79 WeakPolarHBondContact O-CB 3.48Å; F67-F79 WeakPolarHBondContact O-CD1 3.24Å; F67-F79 VanDerWaalsContact O-CG 3.28Å; F67-F79 WeakPolarHBondContact O-CG 3.38Å; F67-M302 HydrophobicContact CD2-CE 3.82Å; F67-M302 HydrophobicContact CD2-SD 4.25Å; F67-M302 HydrophobicContact CE2-CE 4.29Å; F67-M302 HydrophobicContact CE2-SD 4.18Å; F67-L305 HydrophobicContact CB-CD1 3.99Å; F67-L305 HydrophobicContact CD1-CB 4.22Å; F67-L305 HydrophobicContact CG-CB 4.42Å; F67-T306 HydrophobicContact CE1-CG2 3.75Å; F67-T306 WeakPolarHBondContact CE1-OG1 3.2Å; F67-T306 WeakPolarHBondContact CE2-OG1 3.18Å; F67-T306 HydrophobicContact CZ-CG2 3.81Å; F67-T306 WeakPolarHBondContact CZ-OG1 3.48Å
68G65.3Low72.6Confident11 Ų1148.6 Ų48.611%0.11328%0.277CS..SBendtrans91.2170.6177.900000112.9Y196G68-Y196 WeakPolarHBondContact O-CD1 3.28Å; G68-Y196 WeakPolarHBondContact O-CE1 3.4Å
69R61.5Low71.8Confident78 Ų7849.5 Ų49.529%0.29428%0.281SS..  trans-74153.5-167.2-60.8165.749.1131.2-2.6112.2D71 L72 D191 Y196R69-D71 VanDerWaalsContact C-N 3.29Å; R69-D71 WeakPolarHBondContact CB-OD1 3.28Å; R69-D71 IonicContact CZ-OD1 2.77Å; R69-D71 IonicContact CZ-OD2 2.92Å; R69-D71 IonicContact NE-OD1 3.96Å; R69-D71 PolarHBondContact NE-OD1 3.46Å; R69-D71 IonicContact NE-OD2 2.89Å; R69-D71 PolarHBondContact NE-OD2 3.12Å; R69-D71 IonicContact NH2-OD1 3.08Å; R69-D71 IonicContact NH2-OD2 3.6Å; R69-D71 PolarHBondContact NH2-OD2 2.99Å; R69-D71 PolarHBondContact O-N 3.07Å; R69-L72 HydrophobicContact CB-CD1 4.41Å; R69-L72 HydrophobicContact CB-CG 4.29Å; R69-L72 WeakPolarHBondContact O-CB 3.2Å; R69-L72 PolarHBondContact O-N 2.96Å; R69-L72 VanDerWaalsContact O-N 3.1Å; R69-D191 IonicContact CZ-OD2 2.7Å; R69-D191 IonicContact NH1-OD2 3.86Å; R69-D191 PolarHBondContact NH1-OD2 3.35Å; R69-D191 IonicContact NH2-OD1 2.63Å; R69-D191 IonicContact NH2-OD2 3.64Å; R69-D191 PolarHBondContact NH2-OD2 2.84Å; R69-Y196 WeakPolarHBondContact CG-OH 3.31Å; R69-Y196 PolarHBondContact N-OH 3.35Å
70D58.6Low71.2Confident46 Ų4652.1 Ų52.125%0.24629%0.294CS..G310 helixtrans-62.9-33.8-179.3-67.411.7000113.5R66 L72 D73 K194R66-D70 IonicContact CZ-OD1 3.73Å; R66-D70 IonicContact NE-OD1 3.6Å; R66-D70 PolarHBondContact NE-OD1 2.81Å; R66-D70 IonicContact NH2-OD1 2.77Å; R66-D70 PolarHBondContact NH2-OD1 2.82Å; R66-D70 IonicContact NH2-OD2 3.35Å; D70-L72 PolarHBondContact O-N 2.96Å; D70-D73 WeakPolarHBondContact O-CB 3.29Å; D70-D73 PolarHBondContact O-N 2.83Å; D70-D73 VanDerWaalsContact O-N 3.11Å; D70-K194 WeakPolarHBondContact OD1-CD 3.26Å; D70-K194 IonicContact OD1-NZ 3.76Å; D70-K194 WeakPolarHBondContact OD2-CD 3.44Å; D70-K194 WeakPolarHBondContact OD2-CE 3.06Å; D70-K194 WeakPolarHBondContact OD2-CG 3.32Å; D70-K194 IonicContact OD2-NZ 2.81Å; D70-K194 PolarHBondContact OD2-NZ 2.8Å
71D57.8Low70.8Confident82 Ų8256.6 Ų56.644%0.43931%0.312SS..G310 helixtrans-68.2-19.1177.260.1-27000112.7R69 D73 V74R69-D71 VanDerWaalsContact C-N 3.29Å; R69-D71 WeakPolarHBondContact CB-OD1 3.28Å; R69-D71 IonicContact CZ-OD1 2.77Å; R69-D71 IonicContact CZ-OD2 2.92Å; R69-D71 IonicContact NE-OD1 3.96Å; R69-D71 PolarHBondContact NE-OD1 3.46Å; R69-D71 IonicContact NE-OD2 2.89Å; R69-D71 PolarHBondContact NE-OD2 3.12Å; R69-D71 IonicContact NH2-OD1 3.08Å; R69-D71 IonicContact NH2-OD2 3.6Å; R69-D71 PolarHBondContact NH2-OD2 2.99Å; R69-D71 PolarHBondContact O-N 3.07Å; D71-D73 VanDerWaalsContact C-N 3.35Å; D71-V74 WeakPolarHBondContact O-CG2 3.43Å
72L59Low70.5Confident87 Ų8761.6 Ų61.646%0.45534%0.336SS..G310 helixtrans-79.2-16.7173.4-58.4178.6000112.9R69 D70 V74 F79R69-L72 HydrophobicContact CB-CD1 4.41Å; R69-L72 HydrophobicContact CB-CG 4.29Å; R69-L72 WeakPolarHBondContact O-CB 3.2Å; R69-L72 PolarHBondContact O-N 2.96Å; R69-L72 VanDerWaalsContact O-N 3.1Å; D70-L72 PolarHBondContact O-N 2.96Å; L72-V74 PolarHBondContact O-N 3.25Å; L72-F79 HydrophobicContact CB-CD2 3.7Å; L72-F79 HydrophobicContact CB-CE2 3.47Å; L72-F79 VanDerWaalsContact CB-CE2 3.47Å; L72-F79 HydrophobicContact CB-CZ 4.34Å; L72-F79 WeakPolarHBondContact O-CE2 3.4Å
73D61.9Low70.3Confident44 Ų4463.3 Ų63.324%0.23534%0.344CS..G310 helixtrans-64.5-9.9173-77.9-33.8000112R66 D70 D71 L75 L77 F79R66-D73 IonicContact CZ-OD2 3.53Å; R66-D73 IonicContact NH1-OD2 3.77Å; R66-D73 PolarHBondContact NH1-OD2 3.49Å; R66-D73 IonicContact NH2-OD2 2.66Å; R66-D73 PolarHBondContact NH2-OD2 3.05Å; D70-D73 WeakPolarHBondContact O-CB 3.29Å; D70-D73 PolarHBondContact O-N 2.83Å; D70-D73 VanDerWaalsContact O-N 3.11Å; D71-D73 VanDerWaalsContact C-N 3.35Å; D73-L75 PolarHBondContact O-N 3.31Å; D73-L77 WeakPolarHBondContact CA-O 3.49Å; D73-F79 WeakPolarHBondContact OD1-CB 3.4Å; D73-F79 PolarHBondContact OD1-N 3.3Å
74V49.9Very low70.1Confident111 Ų11164.5 Ų64.567%0.67335%0.351SS*.THydrogen-bonded Turntrans-93.747.7-172.9-161.70000112.3D71 L72D71-V74 WeakPolarHBondContact O-CG2 3.43Å; L72-V74 PolarHBondContact O-N 3.25Å
75L56.7Low70.1Confident160 Ų16066.6 Ų66.684%0.83836%0.361SS*.THydrogen-bonded Turntrans-149.516.4166.5-77.6-178.3000112.7D73 L77D73-L75 PolarHBondContact O-N 3.31Å; L75-L77 VanDerWaalsContact C-N 3.33Å
76G53.9Low70Confident75 Ų7566.7 Ų66.777%0.77336%0.361SS*.SBendtrans81.611-174.200000114.2
77L55.3Low70.1Confident107 Ų10767.2 Ų67.256%0.5637%0.366SS*.  trans-103.2102170.2-64.8173.2000107.9D73 L75 F79D73-L77 WeakPolarHBondContact CA-O 3.49Å; L75-L77 VanDerWaalsContact C-N 3.33Å; L77-F79 HydrophobicContact CB-CD2 4.44Å; L77-F79 HydrophobicContact CB-CE2 3.84Å; L77-F79 HydrophobicContact CB-CZ 4.16Å; L77-F79 HydrophobicContact CD1-CZ 4.38Å; L77-F79 WeakPolarHBondContact O-CD2 3.37Å; L77-F79 PolarHBondContact O-N 2.94Å
78T57.1Low70.5Confident113 Ų11366.9 Ų66.969%0.69337%0.365SS*.  trans-77.9113.417337.50000109.4Q80T78-Q80 PolarHBondContact O-N 2.53Å
79F72Confident71.5Confident38 Ų3867.5 Ų67.517%0.16737%0.367CS..  trans-85.323.9-179.6-81.4-64.4000112.7R66 F67 L72 D73 L77R66-F79 CarbonylContact C-O 3.54Å; R66-F79 WeakPolarHBondContact CA-O 3.45Å; F67-F79 AromaticContact CD1-CD1 3.76Å; F67-F79 HydrophobicContact CD1-CD1 3.76Å; F67-F79 HydrophobicContact CD1-CE1 4.09Å; F67-F79 HydrophobicContact CE1-CD1 4.35Å; F67-F79 HydrophobicContact CE1-CE1 4.24Å; F67-F79 PolarHBondContact N-O 3.08Å; F67-F79 WeakPolarHBondContact O-CB 3.48Å; F67-F79 WeakPolarHBondContact O-CD1 3.24Å; F67-F79 VanDerWaalsContact O-CG 3.28Å; F67-F79 WeakPolarHBondContact O-CG 3.38Å; L72-F79 HydrophobicContact CB-CD2 3.7Å; L72-F79 HydrophobicContact CB-CE2 3.47Å; L72-F79 VanDerWaalsContact CB-CE2 3.47Å; L72-F79 HydrophobicContact CB-CZ 4.34Å; L72-F79 WeakPolarHBondContact O-CE2 3.4Å; D73-F79 WeakPolarHBondContact OD1-CB 3.4Å; D73-F79 PolarHBondContact OD1-N 3.3Å; L77-F79 HydrophobicContact CB-CD2 4.44Å; L77-F79 HydrophobicContact CB-CE2 3.84Å; L77-F79 HydrophobicContact CB-CZ 4.16Å; L77-F79 HydrophobicContact CD1-CZ 4.38Å; L77-F79 WeakPolarHBondContact O-CD2 3.37Å; L77-F79 PolarHBondContact O-N 2.94Å
80Q78.4Confident72.6Confident56 Ų5663.8 Ų63.826%0.26235%0.353SS..EExtended strand (participates in β ladder)trans-131.8128.4179.2-177.4174.4-36.600109.8Y65 T78Y65-Q80 CarbonylContact O-C 3.58Å; Y65-Q80 VanDerWaalsContact O-CA 3.28Å; Y65-Q80 WeakPolarHBondContact O-CA 3.34Å; T78-Q80 PolarHBondContact O-N 2.53Å
81K84.1Confident73.8Confident109 Ų10963.5 Ų63.547%0.47435%0.349SS..EExtended strand (participates in β ladder)trans-115.8124.1173.6-177.8163.3165.7-170.10109.3S64 Y65 L83 L304S64-K81 WeakPolarHBondContact CA-O 3.48Å; Y65-K81 PolarHBondContact N-O 3.47Å; Y65-K81 PolarHBondContact O-N 3.11Å; K81-L83 HydrophobicContact CG-CD2 4.29Å; K81-L83 PolarHBondContact O-N 2.99Å; K81-L304 HydrophobicContact CB-CD2 3.96Å; K81-L304 HydrophobicContact CD-CD2 3.62Å; K81-L304 HydrophobicContact CD-CG 4.23Å; K81-L304 HydrophobicContact CG-CD2 4.06Å
82E86.3Confident74.8Confident108 Ų10862.3 Ų62.351%0.50535%0.345SS..EExtended strand (participates in β ladder)trans-75.7118.9171.7-62.7-177.9152.500108.6T62T62-E82 HydrophobicContact CG2-CG 4.26Å
83L87.6Confident75Confident48 Ų4863.3 Ų63.325%0.25135%0.351SS..EExtended strand (participates in β ladder)trans-90.6-41.6179.2-58.6-175.2000111C63 K81 P180 L304C63-L83 HydrophobicContact CB-CB 4.39Å; C63-L83 PolarHBondContact O-N 3.44Å; K81-L83 HydrophobicContact CG-CD2 4.29Å; K81-L83 PolarHBondContact O-N 2.99Å; L83-P180 HydrophobicContact CD1-CG 3.51Å; L83-L304 HydrophobicContact CD2-CD1 4.48Å; L83-L304 HydrophobicContact CD2-CD2 3.67Å
84L89.1Confident74.8Confident25 Ų2566.4 Ų66.413%0.13136%0.364CS..EExtended strand (participates in β ladder)trans-134.8138.8171.3-61.4109.8000109.2T62 C63 F144 P176 S179T62-L84 WeakPolarHBondContact CA-O 3.33Å; C63-L84 HydrophobicContact CB-CB 3.78Å; C63-L84 HydrophobicContact CB-CD1 3.53Å; C63-L84 HydrophobicContact CB-CG 4.27Å; C63-L84 PolarHBondContact N-O 3.32Å; C63-L84 PolarHBondContact O-N 2.96Å; C63-L84 VanDerWaalsContact O-N 3.16Å; L84-F144 HydrophobicContact CD2-CE1 4.48Å; L84-F144 HydrophobicContact CD2-CZ 4.07Å; L84-P176 HydrophobicContact CD2-CG 3.8Å; L84-S179 VanDerWaalsContact CD1-CB 3.41Å
85L89.4Confident74.8Confident49 Ų4962 Ų6226%0.25734%0.338SS..EExtended strand (participates in β ladder)trans-135.4125.1172.9-175.167.4000108.6I60 T62I60-L85 HydrophobicContact CG2-CD1 3.6Å; T62-L85 HydrophobicContact CG2-CD1 4.23Å; T62-L85 WeakPolarHBondContact OG1-CD1 3.26Å
86Y86.7Confident74.2Confident2 Ų257 Ų571%0.00831%0.309CS..EExtended strand (participates in β ladder)trans-121.5131.4171.1170.3-104.5000108.1I60 F61 K88 F144 S145 I173I60-Y86 CarbonylContact C-O 3.6Å; I60-Y86 VanDerWaalsContact CA-O 3.24Å; I60-Y86 WeakPolarHBondContact CA-O 3.21Å; F61-Y86 HydrophobicContact CB-CD1 4.09Å; F61-Y86 PolarHBondContact N-O 2.56Å; F61-Y86 PolarHBondContact O-N 2.94Å; Y86-K88 HydrophobicContact CE1-CB 3.98Å; Y86-K88 VanDerWaalsContact OH-CB 3.22Å; Y86-K88 WeakPolarHBondContact OH-CB 3.47Å; Y86-K88 WeakPolarHBondContact OH-CD 3.25Å; Y86-K88 WeakPolarHBondContact OH-CG 3.5Å; Y86-F144 HydrophobicContact CD2-CB 4.03Å; Y86-F144 HydrophobicContact CD2-CD2 4.03Å; Y86-F144 HydrophobicContact CG-CB 4.36Å; Y86-F144 HydrophobicContact CG-CD2 4.33Å; Y86-S145 WeakPolarHBondContact OH-CB 3.49Å; Y86-S145 PolarHBondContact OH-OG 2.96Å; Y86-I173 HydrophobicContact CD1-CD1 3.82Å; Y86-I173 HydrophobicContact CD1-CG1 4.16Å; Y86-I173 HydrophobicContact CD1-CG2 4.34Å; Y86-I173 HydrophobicContact CE1-CD1 3.89Å; Y86-I173 HydrophobicContact CE1-CG1 3.94Å
87T86.6Confident73.8Confident28 Ų2859.8 Ų59.817%0.17231%0.306CS..EExtended strand (participates in β ladder)trans-133.7126.4178.4-650000108.9L59 I60 L210L59-T87 CarbonylContact O-C 3.46Å; L59-T87 WeakPolarHBondContact O-CA 3.39Å; I60-T87 HydrophobicContact CG1-CG2 4.25Å; T87-L210 HydrophobicContact CG2-CD1 3.27Å; T87-L210 HydrophobicContact CG2-CD2 3.69Å; T87-L210 HydrophobicContact CG2-CG 4.1Å
88K83.8Confident73.2Confident27 Ų2759.4 Ų59.412%0.11731%0.305CS..EExtended strand (participates in β ladder)trans-124138.4170.6-142.9-171.1-165152.20110.7F58 L59 Y86 L90 P95 S145F58-K88 CarbonylContact C-O 3.58Å; F58-K88 VanDerWaalsContact CA-O 3.29Å; F58-K88 WeakPolarHBondContact CA-O 3.22Å; L59-K88 PolarHBondContact N-O 2.99Å; L59-K88 PolarHBondContact O-N 2.95Å; Y86-K88 HydrophobicContact CE1-CB 3.98Å; Y86-K88 VanDerWaalsContact OH-CB 3.22Å; Y86-K88 WeakPolarHBondContact OH-CB 3.47Å; Y86-K88 WeakPolarHBondContact OH-CD 3.25Å; Y86-K88 WeakPolarHBondContact OH-CG 3.5Å; K88-L90 HydrophobicContact CD-CD2 3.92Å; K88-L90 PolarHBondContact O-N 2.98Å; K88-P95 VanDerWaalsContact NZ-CB 3.29Å; K88-S145 PolarHBondContact NZ-OG 2.9Å
89C86.2Confident72.2Confident24 Ų2461 Ų6116%0.16231%0.309CS..EExtended strand (participates in β ladder)trans-81.7109.1156.9-173.80000107.6V57 F58 W91V57-C89 CarbonylContact O-C 3.57Å; F58-C89 HydrophobicContact CD1-CB 3.94Å; F58-C89 HydrophobicContact CE1-CB 3.86Å; C89-W91 PolarHBondContact SG-O 3.49Å
90L84.2Confident70.3Confident0 Ų062.8 Ų62.80%033%0.327CS..EExtended strand (participates in β ladder)trans-81.2-26.6178.1-74.2177.6000112.5L45 V57 L59 K88 F171L45-L90 HydrophobicContact CB-CD1 3.96Å; L45-L90 HydrophobicContact CD1-CD1 4.06Å; L45-L90 HydrophobicContact CG-CD1 4.44Å; V57-L90 PolarHBondContact O-N 3.36Å; L59-L90 HydrophobicContact CB-CD1 3.71Å; L59-L90 HydrophobicContact CB-CG 3.96Å; L59-L90 HydrophobicContact CD2-CD1 4.09Å; L59-L90 HydrophobicContact CG-CD1 4.35Å; K88-L90 HydrophobicContact CD-CD2 3.92Å; K88-L90 PolarHBondContact O-N 2.98Å; L90-F171 HydrophobicContact CD1-CD1 4.32Å; L90-F171 HydrophobicContact CD2-CB 4.19Å
91W84Confident67.9Low41 Ų4167.6 Ų67.616%0.15535%0.354CS..EExtended strand (participates in β ladder)trans-137.5127.1176.2174.6-99.4000110M47 K52 E55 Y56 V57 C89 H94 F169M47-W91 HydrophobicContact CE-CB 3.76Å; M47-W91 HydrophobicContact CE-CG 4.2Å; M47-W91 HydrophobicContact SD-CB 4.4Å; M47-W91 HydrophobicContact SD-CG 4.19Å; K52-W91 HydrophobicContact CD-CH2 4.16Å; K52-W91 HydrophobicContact CD-CZ2 4.25Å; K52-W91 HydrophobicContact CG-CD2 4.35Å; K52-W91 HydrophobicContact CG-CH2 3.81Å; K52-W91 HydrophobicContact CG-CZ2 3.39Å; K52-W91 HydrophobicContact CG-CZ3 4.4Å; K52-W91 WeakPolarHBondContact O-CZ2 3.33Å; K52-W91 PolarHBondContact O-NE1 2.81Å; E55-W91 VanDerWaalsContact O-CD1 3.24Å; Y56-W91 WeakPolarHBondContact CA-O 3.43Å; V57-W91 HydrophobicContact CB-CB 4.08Å; V57-W91 HydrophobicContact CG2-CB 4.35Å; V57-W91 PolarHBondContact N-O 2.76Å; V57-W91 VanDerWaalsContact N-O 3.12Å; V57-W91 PolarHBondContact O-N 3.24Å; C89-W91 PolarHBondContact SG-O 3.49Å; W91-H94 AromaticContact CE3-CE1 3.86Å; W91-H94 AromaticContact CE3-NE2 3.97Å; W91-H94 AromaticContact CZ3-CE1 3.45Å; W91-H94 VanDerWaalsContact CZ3-CE1 3.45Å; W91-H94 WeakPolarHBondContact CZ3-CE1 3.46Å; W91-H94 AromaticContact CZ3-NE2 3.35Å; W91-H94 VanDerWaalsContact CZ3-NE2 3.35Å; W91-H94 WeakPolarHBondContact CZ3-NE2 3.42Å; W91-F169 HydrophobicContact CD2-CZ 4.27Å; W91-F169 AromaticContact CE3-CE1 3.63Å; W91-F169 HydrophobicContact CE3-CE1 3.63Å; W91-F169 AromaticContact CE3-CZ 3.47Å; W91-F169 HydrophobicContact CE3-CZ 3.47Å; W91-F169 VanDerWaalsContact CE3-CZ 3.47Å; W91-F169 HydrophobicContact CZ3-CE1 4.2Å; W91-F169 HydrophobicContact CZ3-CZ 4.02Å
92P79.5Confident65.2Low56 Ų5668.3 Ų68.336%0.36437%0.368SS..SBendcis-91.42.511.936.6-36.8000115.4Y56 H94Y56-P92 HydrophobicContact CD1-CG 4.36Å; Y56-P92 HydrophobicContact CE1-CG 4.15Å; P92-H94 PolarHBondContact O-CD2 3.07Å; P92-H94 PolarHBondContact O-N 3.12Å
93N61.7Low62.4Low108 Ų10873 Ų7358%0.57839%0.386SS*.SBendtrans-76.491.1-176.5-68.2-19.5000110.5P95N93-P95 WeakPolarHBondContact O-CD 3.35Å
94H57.6Low59.6Low109 Ų10973.9 Ų73.951%0.50541%0.408SS..  trans-68.9118.8176.3-64.2-81.5000111.4W91 P92 F96 F169W91-H94 AromaticContact CE3-CE1 3.86Å; W91-H94 AromaticContact CE3-NE2 3.97Å; W91-H94 AromaticContact CZ3-CE1 3.45Å; W91-H94 VanDerWaalsContact CZ3-CE1 3.45Å; W91-H94 WeakPolarHBondContact CZ3-CE1 3.46Å; W91-H94 AromaticContact CZ3-NE2 3.35Å; W91-H94 VanDerWaalsContact CZ3-NE2 3.35Å; W91-H94 WeakPolarHBondContact CZ3-NE2 3.42Å; P92-H94 PolarHBondContact O-CD2 3.07Å; P92-H94 PolarHBondContact O-N 3.12Å; H94-F96 PolarHBondContact O-N 3.34Å; H94-F169 AromaticContact CE1-CE1 3.56Å; H94-F169 AromaticContact ND1-CE1 3.6Å
95P51.1Low56.6Low19 Ų1979.5 Ų79.512%0.12344%0.443CS..  trans-86.239.4164.237.6-33.4000111K88 N93 T147K88-P95 VanDerWaalsContact NZ-CB 3.29Å; N93-P95 WeakPolarHBondContact O-CD 3.35Å; P95-T147 HydrophobicContact CB-CG2 4.33Å; P95-T147 WeakPolarHBondContact O-CG2 3.46Å
96F43.4Very low53.8Low55 Ų5583.8 Ų83.824%0.24147%0.466CS..  trans-132.8110.5-179.3-153.4-96.1000109H94 D98 L148 E150 L153 P170H94-F96 PolarHBondContact O-N 3.34Å; F96-D98 HydrophobicContact CD1-CB 4.37Å; F96-D98 PolarHBondContact O-N 3.09Å; F96-L148 VanDerWaalsContact CD2-O 3.27Å; F96-L148 WeakPolarHBondContact CD2-O 3.26Å; F96-E150 HydrophobicContact CZ-CB 4.11Å; F96-L153 HydrophobicContact CE2-CD1 4.05Å; F96-L153 HydrophobicContact CE2-CD2 4.25Å; F96-L153 HydrophobicContact CE2-CG 4.34Å; F96-L153 HydrophobicContact CZ-CD1 4.09Å; F96-P170 HydrophobicContact CD2-CG 4.16Å; F96-P170 HydrophobicContact CE2-CG 4.39Å
97D45.7Very low51Low133 Ų13394.4 Ų94.471%0.71151%0.513SS*.  trans-90.890.6179.4-152.59.1000108.1N99D97-N99 PolarHBondContact O-N 2.93Å
98D43.7Very low48.3Very low100 Ų100101.2 Ų101.254%0.53554%0.54SS..  trans-7793.3-174.2-149.2-15000109.4F96 S100F96-D98 HydrophobicContact CD1-CB 4.37Å; F96-D98 PolarHBondContact O-N 3.09Å; D98-S100 PolarHBondContact O-N 3.15Å; D98-S100 PolarHBondContact OD1-OG 2.93Å
99N34.9Very low45.8Very low145 Ų145109.2 Ų109.278%0.77557%0.569SS**  trans-71.715-178.6-106.6-30.3000113.9D97D97-N99 PolarHBondContact O-N 2.93Å
100S31.7Very low43.3Very low77 Ų77115.1 Ų115.154%0.53860%0.599SS.*  trans-10339-173.770.40000113.8D98D98-S100 PolarHBondContact O-N 3.15Å; D98-S100 PolarHBondContact OD1-OG 2.93Å
101N29.1Very low40.9Very low156 Ų156124.1 Ų124.183%0.83464%0.638SS**  trans-15262.8165.7-106.8-30.5000114.3
102T27.7Very low38.6Very low125 Ų125126.2 Ų126.277%0.76766%0.656SS**  trans-120.667.9161.143.90000111
103K26.6Very low36.4Very low205 Ų205131.5 Ų131.589%0.89167%0.669SS**SBendtrans-166.394.7152.7-103.3156.6-163.2-175.10110.9
104G29Very low35.2Very low68 Ų68134.7 Ų134.770%0.70168%0.678SS**SBendtrans84.884.6153.500000117.1
105T26.1Very low34.1Very low142 Ų142137.3 Ų137.387%0.87169%0.687SS**SBend174.4136.8119.337.90000110.6
106N29.7Very low33.6Very low139 Ų139142.5 Ų142.574%0.74371%0.713SS**  trans68.479.2168.7-73.4-31.5000121.4K108N106-K108 PolarHBondContact O-N 3.33Å
107K29.7Very low33.2Very low225 Ų225148.8 Ų148.898%0.97874%0.74SS**THydrogen-bonded Turntrans-54.660.5144.3-73.3176.6171.7170.90113.7
108K29.2Very low32.6Very low171 Ų171152.8 Ų152.874%0.74375%0.745SS**THydrogen-bonded Turntrans-131.9-8.9177.6-121.4177.4-177.8176.10116.6N106N106-K108 PolarHBondContact O-N 3.33Å
109W30.5Very low32.1Very low195 Ų195155 Ų15574%0.73976%0.756SS**SBendtrans-91.3-14.7-177.7-150.9-96.1000115.5K111 W113W109-K111 PolarHBondContact O-N 3.05Å; W109-W113 AromaticContact NE1-NE1 3.57Å
110N34.3Very low32.1Very low148 Ų148153.5 Ų153.579%0.79176%0.757SS**THydrogen-bonded Turntrans-89.87.8-175.3-79.5-9.8000116.4
111K34.5Very low32.1Very low189 Ų189154.7 Ų154.782%0.82277%0.766SS**THydrogen-bonded Turntrans-105.1-13.9175.7-76.8-175.4177.3178.60114.5W109W109-K111 PolarHBondContact O-N 3.05Å
112T34Very low32.1Very low85 Ų85156.5 Ų156.552%0.52177%0.766SS.*THydrogen-bonded Turntrans-87.1-28.7-176.4-38.80000112.4K115T112-K115 PolarHBondContact O-N 2.86Å
113W35Very low32.3Very low168 Ų168162 Ų16264%0.63677%0.773SS**Hα-helixtrans-80-20.7-176.3-74.248.1000114.1W109W109-W113 AromaticContact NE1-NE1 3.57Å
114K35.2Very low32.4Very low175 Ų175161.5 Ų161.576%0.76177%0.77SS**Hα-helixtrans-80.8-12.6171.8-76.7-175.6178176.20113.8
115K35.5Very low32.4Very low163 Ų163163.6 Ų163.671%0.70977%0.77SS**Hα-helixtrans-86.8-23179.6-141.3175.3-176.2-176.70112.7T112T112-K115 PolarHBondContact O-N 2.86Å
116I39.2Very low32.5Very low128 Ų128163.7 Ų163.766%0.65677%0.765SS**Hα-helixtrans-83.2-25.1179.6-61.9174.7000112.1R118I116-R118 VanDerWaalsContact C-N 3.27Å; I116-R118 PolarHBondContact O-N 3.08Å
117K34.9Very low32.4Very low187 Ų187162.2 Ų162.281%0.81377%0.765SS**THydrogen-bonded Turntrans-75.1-1.7174.9-81.2-169.9175.2-1760115.7
118R34.9Very low32.4Very low217 Ų217159 Ų15982%0.81976%0.759SS**THydrogen-bonded Turntrans-112.66.7-178.2-81.9-174.6175.1158-1.5115.1I116I116-R118 VanDerWaalsContact C-N 3.27Å; I116-R118 PolarHBondContact O-N 3.08Å
119L32.5Very low32.3Very low146 Ų146160.3 Ų160.376%0.76477%0.768SS**SBendtrans-114.14.8-175.7-81.5158.6000115.2
120S34.3Very low32.1Very low115 Ų115159.8 Ų159.880%0.80477%0.774SS**  trans-92.610.8178.262.30000115.2
121S31.2Very low31.8Very low102 Ų102160.3 Ų160.371%0.71378%0.775SS**SBendtrans-111.760.6177.667.80000112.8
122K30.1Very low31.4Very low194 Ų194155.5 Ų155.584%0.84377%0.765SS**SBendtrans177.3132150.3-107.6166.3178.91740112.4
123R32.4Very low31.2Very low240 Ų240156.9 Ų156.991%0.90678%0.777SS**  trans91.993.5157.9-68-180171.9166.3-3.5119
124K28.5Very low30.8Very low194 Ų194153.7 Ų153.784%0.84378%0.776SS**  22.7125.4116.1-101.3-177.4176.2-176.70119.7
125T29.5Very low30.4Very low113 Ų113152.1 Ų152.169%0.69378%0.775SS**  trans78.611614136.60000121
126D27.7Very low30.1Very low144 Ų144148.3 Ų148.377%0.7777%0.765SS**  trans95.9124139.7-61.3-15.3000121.7
127S27.7Very low29.8Very low107 Ų107150.3 Ų150.375%0.74878%0.777SS**  trans7090.9164.663.30000118.7
128N28.6Very low29.9Very low159 Ų159146.9 Ų146.985%0.8577%0.767SS**  166.3137.4125.1-90.8-23.4000110.6Q130N128-Q130 PolarHBondContact O-N 3.34Å
129E27Very low30.3Very low198 Ų198140.7 Ų140.793%0.92575%0.751SS**  trans-58.298169.3-68.9-178.3146.700110.4
130Q26.7Very low30.8Very low184 Ų184138.2 Ų138.286%0.8674%0.744SS**  trans-135.785.3163.5-107.6179.57.100107.1N128 S132N128-Q130 PolarHBondContact O-N 3.34Å; Q130-S132 PolarHBondContact O-N 3.05Å
131I28.5Very low31.4Very low159 Ų159139.2 Ų139.282%0.81573%0.731SS**  trans-79107166.7-63.1176.2000107.2C133I131-C133 PolarHBondContact O-N 3.28Å
132S25.3Very low32.1Very low88 Ų88135.2 Ų135.262%0.61571%0.706SS**  trans-50.3123.6165.357.30000112.1Q130 T134Q130-S132 PolarHBondContact O-N 3.05Å; S132-T134 VanDerWaalsContact C-N 3.27Å; S132-T134 PolarHBondContact O-N 2.93Å; S132-T134 VanDerWaalsContact O-N 3.11Å
133C29.8Very low33.2Very low114 Ų114133.2 Ų133.277%0.7770%0.702SS**  trans-79.887.5155.8-59.60000107.1I131 I135I131-C133 PolarHBondContact O-N 3.28Å; C133-I135 PolarHBondContact O-N 3.04Å
134T26.3Very low34.7Very low101 Ų101123.2 Ų123.262%0.6267%0.665SS**  trans-65.2127.9167.1-58.40000107.3S132 T136S132-T134 VanDerWaalsContact C-N 3.27Å; S132-T134 PolarHBondContact O-N 2.93Å; S132-T134 VanDerWaalsContact O-N 3.11Å; T134-T136 PolarHBondContact O-N 2.91Å
135I28.7Very low36.6Very low142 Ų142115 Ų11573%0.72863%0.632SS**  trans-53104.5171.3-60.4165.3000108.4C133C133-I135 PolarHBondContact O-N 3.04Å
136T28.6Very low38.5Very low83 Ų83113.5 Ų113.551%0.50962%0.617SS.*  trans-107.3127.8160.737.40000106.3T134 D138T134-T136 PolarHBondContact O-N 2.91Å; T136-D138 VanDerWaalsContact CB-OD1 3.27Å; T136-D138 WeakPolarHBondContact CB-OD1 3.46Å; T136-D138 WeakPolarHBondContact CB-OD2 3.43Å; T136-D138 PolarHBondContact O-N 2.84Å; T136-D138 PolarHBondContact OG1-OD1 2.95Å; T136-D138 PolarHBondContact OG1-OD2 2.77Å
137N33.2Very low40.6Very low169 Ų169110.7 Ų110.790%0.90461%0.606SS**  trans-60.183.8156.1-84.9-14.7000106.5
138D35.5Very low43.1Very low115 Ų115105.8 Ų105.862%0.61557%0.571SS**  trans-103.187.5-179.5-82.7-16.5000108.2T136 P140T136-D138 VanDerWaalsContact CB-OD1 3.27Å; T136-D138 WeakPolarHBondContact CB-OD1 3.46Å; T136-D138 WeakPolarHBondContact CB-OD2 3.43Å; T136-D138 PolarHBondContact O-N 2.84Å; T136-D138 PolarHBondContact OG1-OD1 2.95Å; T136-D138 PolarHBondContact OG1-OD2 2.77Å; D138-P140 WeakPolarHBondContact O-CD 3.12Å
139D43.4Very low45.6Very low88 Ų88104.9 Ų104.947%0.47156%0.56SS.*  trans-106.964.6155.8-123-9.8000108.4Y141 G142D139-Y141 PolarHBondContact O-N 2.95Å; D139-G142 PolarHBondContact O-N 3.12Å; D139-G142 WeakPolarHBondContact OD1-CA 3.38Å; D139-G142 VanDerWaalsContact OD2-CA 3.31Å; D139-G142 WeakPolarHBondContact OD2-CA 3.42Å
140P42.8Very low48.1Very low94 Ų94102.5 Ų102.561%0.6155%0.549SS*.THydrogen-bonded Turntrans-64.3-9175.525.4-31.3000112.5D138D138-P140 WeakPolarHBondContact O-CD 3.12Å
141Y47Very low50.8Low136 Ų13699.6 Ų99.653%0.53354%0.543SS..THydrogen-bonded Turntrans-136.722.4177.7-56.9-75.6000113.1D139 I143D139-Y141 PolarHBondContact O-N 2.95Å; Y141-I143 VanDerWaalsContact C-N 3.28Å; Y141-I143 PolarHBondContact O-N 2.91Å; Y141-I143 VanDerWaalsContact O-N 3.08Å
142G46Very low53.6Low18 Ų1894.3 Ų94.319%0.18652%0.517CS..G310 helixtrans-69.90-165.100000119.3D139 F144 S145D139-G142 PolarHBondContact O-N 3.12Å; D139-G142 WeakPolarHBondContact OD1-CA 3.38Å; D139-G142 VanDerWaalsContact OD2-CA 3.31Å; D139-G142 WeakPolarHBondContact OD2-CA 3.42Å; G142-F144 PolarHBondContact O-N 2.78Å; G142-S145 PolarHBondContact O-N 2.88Å
143I53.8Low56.7Low151 Ų15191.2 Ų91.277%0.77449%0.493SS*.G310 helixtrans-64.4-20.3-172-59173.1000111.8Y141Y141-I143 VanDerWaalsContact C-N 3.28Å; Y141-I143 PolarHBondContact O-N 2.91Å; Y141-I143 VanDerWaalsContact O-N 3.08Å
144F64Low59.5Low30 Ų3088.3 Ų88.313%0.13247%0.47CS..G310 helixtrans-95.8-6.2-172.6-45.5-53.5000113.9L84 Y86 G142 I173 N174 P176L84-F144 HydrophobicContact CD2-CE1 4.48Å; L84-F144 HydrophobicContact CD2-CZ 4.07Å; Y86-F144 HydrophobicContact CD2-CB 4.03Å; Y86-F144 HydrophobicContact CD2-CD2 4.03Å; Y86-F144 HydrophobicContact CG-CB 4.36Å; Y86-F144 HydrophobicContact CG-CD2 4.33Å; G142-F144 PolarHBondContact O-N 2.78Å; F144-I173 HydrophobicContact CB-CG2 3.96Å; F144-I173 CarbonylContact O-C 3.53Å; F144-I173 VanDerWaalsContact O-CA 3.26Å; F144-I173 WeakPolarHBondContact O-CA 3.28Å; F144-N174 WeakPolarHBondContact CB-O 3.46Å; F144-N174 VanDerWaalsContact CD1-O 3.31Å; F144-N174 WeakPolarHBondContact CD1-O 3.44Å; F144-N174 PolarHBondContact O-N 3.45Å; F144-P176 HydrophobicContact CD1-CG 3.7Å; F144-P176 HydrophobicContact CE1-CG 3.14Å; F144-P176 HydrophobicContact CZ-CG 4Å
145S67.9Low62.6Low21 Ų2186.4 Ų86.415%0.14746%0.459CS..BIsolated β-bridgetrans-109124.6-174.6-156.80000113.3Y86 K88 G142Y86-S145 WeakPolarHBondContact OH-CB 3.49Å; Y86-S145 PolarHBondContact OH-OG 2.96Å; K88-S145 PolarHBondContact NZ-OG 2.9Å; G142-S145 PolarHBondContact O-N 2.88Å
146E69.7Low65.4Low82 Ų8280 Ų8038%0.38343%0.426SS..  trans-92.1135.7168.4-165.7169.6-15400110L148 R172E146-L148 PolarHBondContact O-N 3.32Å; E146-R172 WeakPolarHBondContact OE2-CD 3.36Å; E146-R172 IonicContact OE2-NH1 2.93Å; E146-R172 PolarHBondContact OE2-NH1 2.78Å; E146-R172 VanDerWaalsContact OE2-NH1 3.17Å
147T72.7Confident68.5Low86 Ų8676.1 Ų76.153%0.52840%0.402SS..  trans-79.6108.3169-59.30000107.2P95P95-T147 HydrophobicContact CB-CG2 4.33Å; P95-T147 WeakPolarHBondContact O-CG2 3.46Å
148L79.6Confident71.2Confident4 Ų471.4 Ų71.42%0.02138%0.38CS..  trans-77.1132.7-174.4-66.1172000110.8F96 E146 D152 L153 P170 R172F96-L148 VanDerWaalsContact CD2-O 3.27Å; F96-L148 WeakPolarHBondContact CD2-O 3.26Å; E146-L148 PolarHBondContact O-N 3.32Å; L148-D152 HydrophobicContact CD2-CB 3.87Å; L148-L153 HydrophobicContact CB-CD2 4.44Å; L148-L153 HydrophobicContact CD1-CD2 4.26Å; L148-P170 HydrophobicContact CD1-CB 4.05Å; L148-R172 HydrophobicContact CD1-CB 4.11Å; L148-R172 HydrophobicContact CD2-CB 3.89Å; L148-R172 HydrophobicContact CG-CB 4.19Å
149K80.9Confident73.7Confident140 Ų14069.4 Ų69.461%0.60937%0.365SS*.  trans-91.9166.1163.8-58.8171.7-173.5167.70109.4T151 D152K149-T151 PolarHBondContact O-N 3.48Å; K149-T151 VanDerWaalsContact O-N 3.14Å; K149-D152 VanDerWaalsContact CB-OD2 3.3Å; K149-D152 WeakPolarHBondContact CB-OD2 3.29Å; K149-D152 PolarHBondContact N-OD2 3.28Å; K149-D152 WeakPolarHBondContact O-CB 3.04Å; K149-D152 PolarHBondContact O-N 2.96Å
150E79Confident76Confident148 Ų14865.2 Ų65.269%0.69234%0.343SS*.G310 helixtrans-56.9-30.8177.4-162174.5-170.800112.9F96 D152 L153F96-E150 HydrophobicContact CZ-CB 4.11Å; E150-D152 VanDerWaalsContact C-N 3.28Å; E150-D152 PolarHBondContact O-N 2.98Å; E150-L153 HydrophobicContact CG-CD1 4.41Å
151T84.7Confident78.3Confident122 Ų12262.4 Ų62.475%0.74832%0.323SS*.G310 helixtrans-70.2-21.6175.351.50000114.2K149K149-T151 PolarHBondContact O-N 3.48Å; K149-T151 VanDerWaalsContact O-N 3.14Å
152D87.5Confident80.3Confident49 Ų4960.7 Ų60.726%0.26233%0.33SS..G310 helixtrans-93.7-6.8-173.1-47.8-29.7000111.5L148 K149 E150 R172L148-D152 HydrophobicContact CD2-CB 3.87Å; K149-D152 VanDerWaalsContact CB-OD2 3.3Å; K149-D152 WeakPolarHBondContact CB-OD2 3.29Å; K149-D152 PolarHBondContact N-OD2 3.28Å; K149-D152 WeakPolarHBondContact O-CB 3.04Å; K149-D152 PolarHBondContact O-N 2.96Å; E150-D152 VanDerWaalsContact C-N 3.28Å; E150-D152 PolarHBondContact O-N 2.98Å; D152-R172 PolarHBondContact O-NH2 3.23Å
153L88.8Confident82.5Confident22 Ų2266.6 Ų66.612%0.11535%0.351CS..  trans-72.6131.9-178-65.4177000111.4F96 L148 E150 Q157 L161 P170F96-L153 HydrophobicContact CE2-CD1 4.05Å; F96-L153 HydrophobicContact CE2-CD2 4.25Å; F96-L153 HydrophobicContact CE2-CG 4.34Å; F96-L153 HydrophobicContact CZ-CD1 4.09Å; L148-L153 HydrophobicContact CB-CD2 4.44Å; L148-L153 HydrophobicContact CD1-CD2 4.26Å; E150-L153 HydrophobicContact CG-CD1 4.41Å; L153-Q157 HydrophobicContact CB-CB 4.47Å; L153-Q157 HydrophobicContact CD2-CB 4.24Å; L153-L161 HydrophobicContact CD1-CD1 3.62Å; L153-L161 HydrophobicContact CD2-CD1 4.22Å; L153-P170 HydrophobicContact CD2-CB 3.69Å; L153-P170 HydrophobicContact CD2-CG 3.84Å
154L90.3Very high84.3Confident54 Ų5462.2 Ų62.228%0.28333%0.327SS..  trans-72.4153.2170.9-66.8178.5000110.9D42 F156 Q157 T158D42-L154 HydrophobicContact CB-CD1 3.58Å; D42-L154 WeakPolarHBondContact OD2-CD1 3.31Å; L154-F156 HydrophobicContact CB-CD1 3.83Å; L154-F156 HydrophobicContact CB-CE1 3.87Å; L154-F156 HydrophobicContact CD1-CD1 4.36Å; L154-F156 HydrophobicContact CD1-CE1 3.75Å; L154-F156 HydrophobicContact CG-CE1 4.47Å; L154-F156 PolarHBondContact O-N 2.86Å; L154-F156 VanDerWaalsContact O-N 3.08Å; L154-Q157 HydrophobicContact CB-CG 4.36Å; L154-Q157 WeakPolarHBondContact O-CA 3.32Å; L154-Q157 WeakPolarHBondContact O-CB 3.48Å; L154-Q157 PolarHBondContact O-N 3.17Å; L154-T158 PolarHBondContact O-N 2.85Å; L154-T158 PolarHBondContact O-OG1 2.75Å
155P89.9Confident85.4Confident61 Ų6162.6 Ų62.640%0.39634%0.34SS..Hα-helixtrans-53.2-36.4-177.6-30.536.8000114.7F10 K159F10-P155 HydrophobicContact CD2-CB 4.37Å; F10-P155 HydrophobicContact CE2-CB 3.4Å; F10-P155 VanDerWaalsContact CE2-CB 3.4Å; F10-P155 HydrophobicContact CE2-CG 4.18Å; F10-P155 HydrophobicContact CZ-CB 3.6Å; F10-P155 HydrophobicContact CZ-CG 3.86Å; P155-K159 WeakPolarHBondContact O-CB 3.44Å; P155-K159 PolarHBondContact O-N 2.8Å
156F89.4Confident86.4Confident8 Ų866.5 Ų66.54%0.03536%0.359CS..Hα-helixtrans-70.6-34.3177.585.6-90.6000112.4V12 D27 D42 L154 K159 L160 L452V12-F156 HydrophobicContact CG1-CD2 4.26Å; V12-F156 HydrophobicContact CG2-CB 3.83Å; V12-F156 HydrophobicContact CG2-CD2 3.95Å; V12-F156 HydrophobicContact CG2-CG 4.03Å; D27-F156 HydrophobicContact CB-CD1 4.22Å; D27-F156 HydrophobicContact CB-CE1 3.87Å; D27-F156 HydrophobicContact CB-CZ 4.28Å; D42-F156 HydrophobicContact CB-CE1 4.4Å; D42-F156 HydrophobicContact CB-CZ 4.36Å; L154-F156 HydrophobicContact CB-CD1 3.83Å; L154-F156 HydrophobicContact CB-CE1 3.87Å; L154-F156 HydrophobicContact CD1-CD1 4.36Å; L154-F156 HydrophobicContact CD1-CE1 3.75Å; L154-F156 HydrophobicContact CG-CE1 4.47Å; L154-F156 PolarHBondContact O-N 2.86Å; L154-F156 VanDerWaalsContact O-N 3.08Å; F156-K159 PolarHBondContact O-N 2.74Å; F156-L160 HydrophobicContact CD2-CD1 3.99Å; F156-L160 HydrophobicContact CE2-CD1 4.48Å; F156-L160 WeakPolarHBondContact O-CB 3.4Å; F156-L160 WeakPolarHBondContact O-CG 3.41Å; F156-L160 PolarHBondContact O-N 3.08Å; F156-L452 HydrophobicContact CB-CD1 4.16Å
157Q92Very high87.5Confident0 Ų064.2 Ų64.20%035%0.349CS..Hα-helixtrans-66.7-49.3175.8-66.4175.5-43.200109.9G43 I44 L153 L154 K159 L160 L161 F171G43-Q157 PolarHBondContact O-NE2 2.75Å; G43-Q157 VanDerWaalsContact O-NE2 3.12Å; I44-Q157 HydrophobicContact CD1-CB 3.84Å; I44-Q157 HydrophobicContact CD1-CG 4.22Å; I44-Q157 WeakPolarHBondContact CD1-O 3.49Å; I44-Q157 HydrophobicContact CG1-CB 3.96Å; I44-Q157 HydrophobicContact CG1-CG 3.77Å; L153-Q157 HydrophobicContact CB-CB 4.47Å; L153-Q157 HydrophobicContact CD2-CB 4.24Å; L154-Q157 HydrophobicContact CB-CG 4.36Å; L154-Q157 WeakPolarHBondContact O-CA 3.32Å; L154-Q157 WeakPolarHBondContact O-CB 3.48Å; L154-Q157 PolarHBondContact O-N 3.17Å; Q157-K159 VanDerWaalsContact C-N 3.25Å; Q157-K159 PolarHBondContact O-N 2.81Å; Q157-L160 PolarHBondContact O-N 2.93Å; Q157-L161 WeakPolarHBondContact O-CB 3.41Å; Q157-L161 WeakPolarHBondContact O-CG 3.43Å; Q157-L161 PolarHBondContact O-N 2.84Å; Q157-F171 PolarHBondContact NE2-O 2.8Å
158T91.2Very high88.4Confident71 Ų7160.5 Ų60.544%0.43633%0.327SS..Hα-helixtrans-55.2-43.2175.3-47.70000111.4L154 L161 S162L154-T158 PolarHBondContact O-N 2.85Å; L154-T158 PolarHBondContact O-OG1 2.75Å; T158-L161 PolarHBondContact O-N 3.02Å; T158-S162 WeakPolarHBondContact O-CB 3.31Å; T158-S162 PolarHBondContact O-N 2.78Å
159K88.4Confident88.9Confident72 Ų7260.7 Ų60.731%0.31333%0.328SS..Hα-helixtrans-68.7-42.2180-168163.1178.2-172.60112.7P155 F156 Q157 S162 K163 M450 L452P155-K159 WeakPolarHBondContact O-CB 3.44Å; P155-K159 PolarHBondContact O-N 2.8Å; F156-K159 PolarHBondContact O-N 2.74Å; Q157-K159 VanDerWaalsContact C-N 3.25Å; Q157-K159 PolarHBondContact O-N 2.81Å; K159-S162 PolarHBondContact O-N 2.84Å; K159-S162 PolarHBondContact O-OG 3.18Å; K159-K163 WeakPolarHBondContact O-CB 3.36Å; K159-K163 PolarHBondContact O-N 3.24Å; K159-M450 PolarHBondContact NZ-O 3.17Å; K159-L452 HydrophobicContact CD-CB 4.01Å
160L89.8Confident89.4Confident0 Ų054.6 Ų54.60%030%0.303CS..Hα-helixtrans-67.4-37175.4-75.7173.1000112.2F25 I44 F156 Q157 K163 H164 L452F25-L160 HydrophobicContact CB-CD1 3.64Å; F25-L160 HydrophobicContact CD1-CD1 3.75Å; F25-L160 HydrophobicContact CD1-CD2 4.16Å; F25-L160 HydrophobicContact CD2-CD1 4.25Å; F25-L160 HydrophobicContact CE1-CD1 4.43Å; F25-L160 HydrophobicContact CE1-CD2 4.03Å; F25-L160 HydrophobicContact CG-CD1 3.63Å; F25-L160 HydrophobicContact CZ-CD2 4.36Å; I44-L160 HydrophobicContact CB-CD1 4.05Å; I44-L160 HydrophobicContact CD1-CB 3.97Å; I44-L160 HydrophobicContact CG1-CB 4.31Å; I44-L160 HydrophobicContact CG1-CD1 4.24Å; I44-L160 HydrophobicContact CG2-CB 4.27Å; I44-L160 HydrophobicContact CG2-CD1 4.36Å; F156-L160 HydrophobicContact CD2-CD1 3.99Å; F156-L160 HydrophobicContact CE2-CD1 4.48Å; F156-L160 WeakPolarHBondContact O-CB 3.4Å; F156-L160 WeakPolarHBondContact O-CG 3.41Å; F156-L160 PolarHBondContact O-N 3.08Å; Q157-L160 PolarHBondContact O-N 2.93Å; L160-K163 PolarHBondContact O-N 2.84Å; L160-H164 WeakPolarHBondContact O-CB 3.37Å; L160-H164 PolarHBondContact O-CD2 3.28Å; L160-H164 PolarHBondContact O-N 2.93Å; L160-L452 HydrophobicContact CD2-CD2 3.81Å; L160-L452 HydrophobicContact CG-CD2 4.09Å
161L91.3Very high90Very high36 Ų3647.8 Ų47.819%0.18827%0.27CS..Hα-helixtrans-61.3-46.9171.9-76.1162.6000111.1I44 L153 Q157 T158 K163 H164 G165 A168 P170I44-L161 HydrophobicContact CD1-CD1 4.15Å; I44-L161 HydrophobicContact CD1-CD2 4.23Å; I44-L161 HydrophobicContact CD1-CG 3.66Å; L153-L161 HydrophobicContact CD1-CD1 3.62Å; L153-L161 HydrophobicContact CD2-CD1 4.22Å; Q157-L161 WeakPolarHBondContact O-CB 3.41Å; Q157-L161 WeakPolarHBondContact O-CG 3.43Å; Q157-L161 PolarHBondContact O-N 2.84Å; T158-L161 PolarHBondContact O-N 3.02Å; L161-K163 PolarHBondContact O-N 3.07Å; L161-H164 PolarHBondContact O-N 3.11Å; L161-G165 WeakPolarHBondContact O-CA 3.43Å; L161-G165 PolarHBondContact O-N 2.82Å; L161-A168 HydrophobicContact CD2-CB 3.79Å; L161-A168 WeakPolarHBondContact CD2-O 3.42Å; L161-P170 HydrophobicContact CD1-CB 4.39Å; L161-P170 HydrophobicContact CD1-CG 4.13Å
162S90.2Very high90.3Very high99 Ų9943.4 Ų43.469%0.69224%0.24SC*.Hα-helixtrans-61.5-30.3176.575.10000113T158 K159T158-S162 WeakPolarHBondContact O-CB 3.31Å; T158-S162 PolarHBondContact O-N 2.78Å; K159-S162 PolarHBondContact O-N 2.84Å; K159-S162 PolarHBondContact O-OG 3.18Å
163K91.4Very high90.6Very high142 Ų14241 Ų4162%0.61723%0.228SC*.Hα-helixtrans-80.9-39.4-178.9-178179.8176.8-177.30113.1K159 L160 L161K159-K163 WeakPolarHBondContact O-CB 3.36Å; K159-K163 PolarHBondContact O-N 3.24Å; L160-K163 PolarHBondContact O-N 2.84Å; L161-K163 PolarHBondContact O-N 3.07Å
164H90.8Very high90.7Very high59 Ų5943 Ų4327%0.27324%0.238SC..Hα-helixtrans-106.8-9.5-171.9-71.2-79.2000113.4T46 L160 L161 L167 A168T46-H164 HydrophobicContact CG2-CB 4.14Å; L160-H164 WeakPolarHBondContact O-CB 3.37Å; L160-H164 PolarHBondContact O-CD2 3.28Å; L160-H164 PolarHBondContact O-N 2.93Å; L161-H164 PolarHBondContact O-N 3.11Å; H164-L167 WeakPolarHBondContact O-CB 3.34Å; H164-L167 PolarHBondContact O-N 3.48Å; H164-A168 HydrophobicContact CB-CB 3.7Å
165G88.9Confident90.8Very high38 Ų3840.9 Ų40.939%0.39223%0.227SC..G310 helixtrans60.5-135.7177.300000112.9L161 L167 A168L161-G165 WeakPolarHBondContact O-CA 3.43Å; L161-G165 PolarHBondContact O-N 2.82Å; G165-L167 PolarHBondContact O-N 2.88Å; G165-L167 VanDerWaalsContact O-N 3.09Å; G165-A168 PolarHBondContact O-N 2.83Å; G165-A168 VanDerWaalsContact O-N 3.17Å
166D87.3Confident90.8Very high103 Ų10339.3 Ų39.355%0.55122%0.217SC*.G310 helixtrans-72.24.3-178.368.6-35.9000114.3K52K52-D166 PolarHBondContact NZ-O 3.35Å; K52-D166 IonicContact NZ-OD2 3.78Å; K52-D166 PolarHBondContact NZ-OD2 2.83Å
167L92.6Very high90.8Very high35 Ų3541.4 Ų41.418%0.18323%0.23CC..G310 helixtrans-99.4-0.6173-63.2-179.4000113T46 M47 K52 H164 G165T46-L167 CarbonylContact C-O 3.56Å; T46-L167 VanDerWaalsContact CA-O 3.24Å; T46-L167 WeakPolarHBondContact CA-O 3.48Å; M47-L167 HydrophobicContact CG-CD2 4.4Å; M47-L167 PolarHBondContact N-O 3.14Å; M47-L167 WeakPolarHBondContact O-CB 3.18Å; K52-L167 HydrophobicContact CB-CD2 4.34Å; K52-L167 HydrophobicContact CD-CD2 3.58Å; H164-L167 WeakPolarHBondContact O-CB 3.34Å; H164-L167 PolarHBondContact O-N 3.48Å; G165-L167 PolarHBondContact O-N 2.88Å; G165-L167 VanDerWaalsContact O-N 3.09Å
168A92.1Very high90.7Very high7 Ų744.7 Ų44.76%0.05825%0.253CS..EExtended strand (participates in β ladder)trans-112.1138.817700000112.2I44 L45 T46 L161 H164 G165I44-A168 HydrophobicContact CG2-CB 4.02Å; L45-A168 CarbonylContact O-C 3.49Å; L45-A168 WeakPolarHBondContact O-CA 3.3Å; T46-A168 HydrophobicContact CG2-CB 4.1Å; L161-A168 HydrophobicContact CD2-CB 3.79Å; L161-A168 WeakPolarHBondContact CD2-O 3.42Å; H164-A168 HydrophobicContact CB-CB 3.7Å; G165-A168 PolarHBondContact O-N 2.83Å; G165-A168 VanDerWaalsContact O-N 3.17Å
169F90.1Very high90.7Very high8 Ų841.4 Ų41.44%0.03523%0.233CC..EExtended strand (participates in β ladder)trans-131.4110.6-174.9-59.8-89.2000109.1I44 L45 M47 W91 H94I44-F169 WeakPolarHBondContact CA-O 3.37Å; L45-F169 HydrophobicContact CD2-CD2 4.32Å; L45-F169 PolarHBondContact N-O 3.14Å; L45-F169 PolarHBondContact O-N 3.44Å; M47-F169 HydrophobicContact CE-CD2 3.66Å; M47-F169 HydrophobicContact CE-CE2 3.34Å; M47-F169 HydrophobicContact CE-CZ 4.11Å; M47-F169 HydrophobicContact CG-CE2 4.07Å; M47-F169 HydrophobicContact SD-CE2 3.82Å; M47-F169 HydrophobicContact SD-CZ 4.38Å; W91-F169 HydrophobicContact CD2-CZ 4.27Å; W91-F169 AromaticContact CE3-CE1 3.63Å; W91-F169 HydrophobicContact CE3-CE1 3.63Å; W91-F169 AromaticContact CE3-CZ 3.47Å; W91-F169 HydrophobicContact CE3-CZ 3.47Å; W91-F169 VanDerWaalsContact CE3-CZ 3.47Å; W91-F169 HydrophobicContact CZ3-CE1 4.2Å; W91-F169 HydrophobicContact CZ3-CZ 4.02Å; H94-F169 AromaticContact CE1-CE1 3.56Å; H94-F169 AromaticContact ND1-CE1 3.6Å
170P92.2Very high91Very high13 Ų1338.2 Ų38.28%0.08422%0.22CC..EExtended strand (participates in β ladder)trans-75.6148.4175.434.6-33.3000109.6G43 I44 F96 L148 L153 L161G43-P170 WeakPolarHBondContact O-CA 3.43Å; I44-P170 HydrophobicContact CD1-CB 4.14Å; I44-P170 HydrophobicContact CG1-CB 4.48Å; F96-P170 HydrophobicContact CD2-CG 4.16Å; F96-P170 HydrophobicContact CE2-CG 4.39Å; L148-P170 HydrophobicContact CD1-CB 4.05Å; L153-P170 HydrophobicContact CD2-CB 3.69Å; L153-P170 HydrophobicContact CD2-CG 3.84Å; L161-P170 HydrophobicContact CD1-CB 4.39Å; L161-P170 HydrophobicContact CD1-CG 4.13Å
171F91.3Very high91.2Very high4 Ų439 Ų392%0.01823%0.226CC..EExtended strand (participates in β ladder)trans-143.2153.1172.962-94000110.4L24 L26 I41 G43 L45 L59 L90 Q157 I173 L202L24-F171 HydrophobicContact CD2-CE1 4.01Å; L24-F171 HydrophobicContact CD2-CZ 4.15Å; L26-F171 HydrophobicContact CD2-CE2 4.32Å; L26-F171 HydrophobicContact CD2-CZ 4.11Å; I41-F171 HydrophobicContact CG2-CE2 4.35Å; G43-F171 PolarHBondContact N-O 3.29Å; G43-F171 PolarHBondContact O-N 2.6Å; L45-F171 HydrophobicContact CB-CE1 4.37Å; L59-F171 HydrophobicContact CD2-CB 4.27Å; L59-F171 HydrophobicContact CD2-CD1 3.95Å; L59-F171 HydrophobicContact CD2-CD2 3.61Å; L59-F171 HydrophobicContact CD2-CE1 4.15Å; L59-F171 HydrophobicContact CD2-CE2 3.84Å; L59-F171 HydrophobicContact CD2-CG 3.66Å; L59-F171 HydrophobicContact CD2-CZ 4.11Å; L90-F171 HydrophobicContact CD1-CD1 4.32Å; L90-F171 HydrophobicContact CD2-CB 4.19Å; Q157-F171 PolarHBondContact NE2-O 2.8Å; F171-I173 HydrophobicContact CD2-CD1 4.34Å; F171-I173 HydrophobicContact CD2-CG1 4.24Å; F171-I173 HydrophobicContact CE2-CD1 4.5Å; F171-L202 HydrophobicContact CE2-CD2 3.93Å; F171-L202 HydrophobicContact CZ-CD2 3.81Å
172R91.6Very high91.5Very high30 Ų3037.4 Ų37.411%0.11322%0.218CC..EExtended strand (participates in β ladder)trans-130132.2169.3179.5171.9-68.9150.17109.6P40 I41 D42 E146 L148 D152P40-R172 HydrophobicContact CB-CG 3.86Å; I41-R172 CarbonylContact O-C 3.57Å; I41-R172 WeakPolarHBondContact O-CA 3.31Å; D42-R172 IonicContact OD1-CZ 2.63Å; D42-R172 VanDerWaalsContact OD1-CZ 3.28Å; D42-R172 IonicContact OD1-NE 3.52Å; D42-R172 PolarHBondContact OD1-NE 2.72Å; D42-R172 IonicContact OD1-NH2 3.66Å; D42-R172 PolarHBondContact OD1-NH2 2.86Å; D42-R172 IonicContact OD2-NE 3.17Å; D42-R172 IonicContact OD2-NH2 3.28Å; E146-R172 WeakPolarHBondContact OE2-CD 3.36Å; E146-R172 IonicContact OE2-NH1 2.93Å; E146-R172 PolarHBondContact OE2-NH1 2.78Å; E146-R172 VanDerWaalsContact OE2-NH1 3.17Å; L148-R172 HydrophobicContact CD1-CB 4.11Å; L148-R172 HydrophobicContact CD2-CB 3.89Å; L148-R172 HydrophobicContact CG-CB 4.19Å; D152-R172 PolarHBondContact O-NH2 3.23Å
173I92.3Very high91.7Very high0 Ų033.1 Ų33.10%019%0.187CC..EExtended strand (participates in β ladder)trans-120.7120.8174.1-51.9173.4000109.2P40 I41 L59 F61 Y86 F144 F171 L202P40-I173 WeakPolarHBondContact CA-O 3.11Å; I41-I173 HydrophobicContact CB-CB 4.13Å; I41-I173 HydrophobicContact CD1-CB 4.38Å; I41-I173 PolarHBondContact N-O 3.04Å; I41-I173 PolarHBondContact O-N 2.89Å; L59-I173 HydrophobicContact CD2-CD1 4.02Å; F61-I173 HydrophobicContact CB-CD1 3.75Å; F61-I173 HydrophobicContact CD1-CG2 4.12Å; F61-I173 HydrophobicContact CG-CD1 4.36Å; F61-I173 HydrophobicContact CG-CG2 4.29Å; Y86-I173 HydrophobicContact CD1-CD1 3.82Å; Y86-I173 HydrophobicContact CD1-CG1 4.16Å; Y86-I173 HydrophobicContact CD1-CG2 4.34Å; Y86-I173 HydrophobicContact CE1-CD1 3.89Å; Y86-I173 HydrophobicContact CE1-CG1 3.94Å; F144-I173 HydrophobicContact CB-CG2 3.96Å; F144-I173 CarbonylContact O-C 3.53Å; F144-I173 VanDerWaalsContact O-CA 3.26Å; F144-I173 WeakPolarHBondContact O-CA 3.28Å; F171-I173 HydrophobicContact CD2-CD1 4.34Å; F171-I173 HydrophobicContact CD2-CG1 4.24Å; F171-I173 HydrophobicContact CE2-CD1 4.5Å; I173-L202 HydrophobicContact CD1-CD1 3.72Å
174N92.3Very high91.6Very high62 Ų6226.7 Ų26.733%0.33216%0.16SC..  trans-91.9115.6177-65.1-26.8000109.6F144F144-N174 WeakPolarHBondContact CB-O 3.46Å; F144-N174 VanDerWaalsContact CD1-O 3.31Å; F144-N174 WeakPolarHBondContact CD1-O 3.44Å; F144-N174 PolarHBondContact O-N 3.45Å
175I92.1Very high91.4Very high11 Ų1124.2 Ų24.26%0.05615%0.149CC..  trans-84.5130.8179.1-48.9175.2000109.3F31 V38 I41 F61 S179 Y200F31-I175 HydrophobicContact CB-CD1 4.26Å; F31-I175 HydrophobicContact CG-CD1 4.45Å; V38-I175 HydrophobicContact CB-CB 4.17Å; V38-I175 WeakPolarHBondContact CB-O 3.27Å; V38-I175 HydrophobicContact CG1-CB 3.97Å; V38-I175 HydrophobicContact CG1-CD1 4.18Å; V38-I175 WeakPolarHBondContact CG2-O 3.43Å; I41-I175 HydrophobicContact CD1-CD1 3.85Å; I41-I175 HydrophobicContact CD1-CG1 4.05Å; I41-I175 HydrophobicContact CG1-CD1 3.97Å; I41-I175 HydrophobicContact CG1-CG1 4.23Å; F61-I175 HydrophobicContact CE1-CG1 4.46Å; F61-I175 HydrophobicContact CE2-CD1 4.46Å; F61-I175 HydrophobicContact CZ-CD1 4.04Å; F61-I175 HydrophobicContact CZ-CG1 3.88Å; F61-I175 HydrophobicContact CZ-CG2 4.39Å; I175-S179 VanDerWaalsContact CG2-OG 3.3Å; I175-S179 WeakPolarHBondContact CG2-OG 3.26Å; I175-Y200 HydrophobicContact CG2-CE1 4.36Å
176P90.5Very high90.6Very high28 Ų2825.2 Ų25.218%0.18214%0.144CC..  trans-63.9141.5175.5-26.238.1000112.7L84 F144 S178 S179L84-P176 HydrophobicContact CD2-CG 3.8Å; F144-P176 HydrophobicContact CD1-CG 3.7Å; F144-P176 HydrophobicContact CE1-CG 3.14Å; F144-P176 HydrophobicContact CZ-CG 4Å; P176-S178 PolarHBondContact O-N 3.11Å; P176-S179 VanDerWaalsContact O-CB 3.31Å; P176-S179 WeakPolarHBondContact O-CB 3.36Å; P176-S179 PolarHBondContact O-N 2.9Å; P176-S179 VanDerWaalsContact O-N 3.09Å; P176-S179 PolarHBondContact O-OG 2.54Å
177T89.4Confident89.6Confident51 Ų5121.1 Ų21.131%0.31312%0.122SC..THydrogen-bonded Turntrans-63.2-20.9172.247.60000113.6D36 V38 S179 R226 K370D36-T177 WeakPolarHBondContact O-CG2 3.32Å; V38-T177 HydrophobicContact CG2-CG2 4.03Å; T177-S179 VanDerWaalsContact C-N 3.31Å; T177-R226 PolarHBondContact O-NH2 2.76Å; T177-K370 VanDerWaalsContact CB-NZ 3.3Å; T177-K370 PolarHBondContact O-NZ 2.83Å; T177-K370 VanDerWaalsContact O-NZ 3.16Å
178S88.7Confident87.9Confident69 Ų6924 Ų2448%0.48314%0.138SC..THydrogen-bonded Turntrans-80.2-8.8175.757.10000114P176P176-S178 PolarHBondContact O-N 3.11Å
179S91.6Very high86.1Confident2 Ų231.6 Ų31.61%0.01417%0.173CC..SBendtrans-69.9155.4177.965.50000111.1L84 I175 P176 T177 Y200 R226L84-S179 VanDerWaalsContact CD1-CB 3.41Å; I175-S179 VanDerWaalsContact CG2-OG 3.3Å; I175-S179 WeakPolarHBondContact CG2-OG 3.26Å; P176-S179 VanDerWaalsContact O-CB 3.31Å; P176-S179 WeakPolarHBondContact O-CB 3.36Å; P176-S179 PolarHBondContact O-N 2.9Å; P176-S179 VanDerWaalsContact O-N 3.09Å; P176-S179 PolarHBondContact O-OG 2.54Å; T177-S179 VanDerWaalsContact C-N 3.31Å; S179-Y200 VanDerWaalsContact CB-OH 3.28Å; S179-Y200 WeakPolarHBondContact CB-OH 3.33Å; S179-Y200 PolarHBondContact OG-OH 3.36Å; S179-R226 PolarHBondContact O-NH1 2.77Å; S179-R226 PolarHBondContact O-NH2 2.89Å; S179-R226 PolarHBondContact OG-NE 2.74Å; S179-R226 PolarHBondContact OG-NH1 2.8Å; S179-R226 VanDerWaalsContact OG-NH1 3.12Å; S179-R226 PolarHBondContact OG-NH2 2.84Å
180P93.9Very high84.4Confident5 Ų538.6 Ų38.63%0.03221%0.21CC..PPolyproline II helixtrans-81.1150.5179.425.9-30.2000113.7L83 V198 Y200 R226 H404L83-P180 HydrophobicContact CD1-CG 3.51Å; P180-V198 HydrophobicContact CB-CG1 4.12Å; P180-V198 HydrophobicContact CB-CG2 4.25Å; P180-V198 HydrophobicContact CG-CG1 3.73Å; P180-V198 HydrophobicContact CG-CG2 4.27Å; P180-Y200 VanDerWaalsContact O-CE2 3.29Å; P180-Y200 WeakPolarHBondContact O-CE2 3.46Å; P180-Y200 PolarHBondContact O-OH 3.32Å; P180-R226 PolarHBondContact O-NH1 2.92Å; P180-H404 WeakPolarHBondContact CB-O 3.48Å
181S95.4Very high82.3Confident18 Ų1841.5 Ų41.513%0.12623%0.225CC..PPolyproline II helixtrans-64.7151.7172.5-65.50000110.8V183 V198 R226S181-V183 PolarHBondContact O-N 3.37Å; S181-V198 WeakPolarHBondContact O-CB 3.46Å; S181-V198 WeakPolarHBondContact O-CG1 3.3Å; S181-R226 CarbonylContact C-O 3.52Å; S181-R226 WeakPolarHBondContact CA-O 3.2Å
182S96Very high80.4Confident2 Ų244.7 Ų44.71%0.01425%0.248CC..PPolyproline II helixtrans-61.8128.2171.2-66.50000110.2V198 Y200 R225 R226 G354S182-V198 WeakPolarHBondContact CA-O 3.47Å; S182-Y200 VanDerWaalsContact OG-CD2 3.29Å; S182-Y200 WeakPolarHBondContact OG-CD2 3.49Å; S182-R225 WeakPolarHBondContact OG-CA 3.37Å; S182-R226 WeakPolarHBondContact CB-O 3.33Å; S182-R226 PolarHBondContact N-O 3.39Å; S182-R226 PolarHBondContact OG-N 2.97Å; S182-G354 PolarHBondContact O-N 2.91Å
183V94.3Very high78.7Confident8 Ų851.8 Ų51.85%0.04828%0.275CS..EExtended strand (participates in β ladder)trans-137.9122.7177.2-177.20000108.3S181 I185 G197 V198 A351 L352 A364 V406 I408S181-V183 PolarHBondContact O-N 3.37Å; V183-I185 HydrophobicContact CG1-CD1 4.44Å; V183-I185 HydrophobicContact CG1-CG1 4.03Å; V183-G197 CarbonylContact O-C 3.53Å; V183-G197 WeakPolarHBondContact O-CA 3.41Å; V183-V198 PolarHBondContact N-O 3.22Å; V183-V198 PolarHBondContact O-N 2.96Å; V183-A351 HydrophobicContact CG1-CB 3.91Å; V183-L352 WeakPolarHBondContact CA-O 3.35Å; V183-A364 HydrophobicContact CG1-CB 4.41Å; V183-V406 HydrophobicContact CB-CG1 4.5Å; V183-V406 HydrophobicContact CG1-CG1 4.03Å; V183-V406 HydrophobicContact CG2-CB 4.48Å; V183-I408 HydrophobicContact CG1-CD1 4.23Å; V183-I408 HydrophobicContact CG1-CG1 4.49Å; V183-I408 HydrophobicContact CG2-CG1 4.42Å
184A90.6Very high77.2Confident7 Ų753.2 Ų53.26%0.05828%0.281CS..EExtended strand (participates in β ladder)trans-113.7121.9173.900000109.6L195 Y196 A351 L352A184-L195 HydrophobicContact CB-CB 4.08Å; A184-L195 HydrophobicContact CB-CD1 4.08Å; A184-Y196 CarbonylContact C-O 3.58Å; A184-Y196 WeakPolarHBondContact CA-O 3.24Å; A184-A351 CarbonylContact O-C 3.57Å; A184-A351 WeakPolarHBondContact O-CA 3.32Å; A184-L352 HydrophobicContact CB-CB 4.38Å; A184-L352 PolarHBondContact N-O 2.97Å; A184-L352 PolarHBondContact O-N 2.79Å
185I86.8Confident76.2Confident8 Ų852.4 Ų52.44%0.04128%0.276CS..EExtended strand (participates in β ladder)trans-111.6126.5-178.8-55.7163.7000107.7V183 P187 Y196 T300 M302 A351 V406V183-I185 HydrophobicContact CG1-CD1 4.44Å; V183-I185 HydrophobicContact CG1-CG1 4.03Å; I185-P187 WeakPolarHBondContact O-CD 3.45Å; I185-Y196 PolarHBondContact N-O 3.16Å; I185-Y196 PolarHBondContact O-N 2.84Å; I185-Y196 VanDerWaalsContact O-N 3.1Å; I185-T300 HydrophobicContact CD1-CG2 3.64Å; I185-T300 HydrophobicContact CG1-CG2 4.31Å; I185-M302 HydrophobicContact CD1-CE 3.89Å; I185-A351 HydrophobicContact CG1-CB 4.06Å; I185-V406 HydrophobicContact CD1-CG1 4.38Å
186Q72Confident75.7Confident59 Ų5953.6 Ų53.628%0.27628%0.28SS..PPolyproline II helixtrans-71125.8-179.8-165.770.722.500110.8L346 G349 V350Q186-L346 HydrophobicContact CG-CD2 4.18Å; Q186-G349 PolarHBondContact O-N 2.78Å; Q186-G349 VanDerWaalsContact O-N 3.11Å; Q186-V350 PolarHBondContact N-O 3.02Å
187P64.9Low75.6Confident16 Ų1652.4 Ų52.410%0.10427%0.273CS..PPolyproline II helixtrans-67.8170.7170.425.9-31.8000112.8I185 Y196I185-P187 WeakPolarHBondContact O-CD 3.45Å; P187-Y196 HydrophobicContact CB-CD2 4.37Å; P187-Y196 HydrophobicContact CB-CE2 3.52Å; P187-Y196 WeakPolarHBondContact CB-OH 3.42Å; P187-Y196 HydrophobicContact CG-CE2 4.44Å
188N58.1Low75.7Confident97 Ų9750.1 Ų50.152%0.51926%0.259SS..PPolyproline II helixtrans-61.3143.2171.9-92.5-42.3000113.1D190 Q348N188-D190 PolarHBondContact O-N 2.77Å; N188-Q348 VanDerWaalsContact CG-NE2 3.32Å; N188-Q348 PolarHBondContact ND2-NE2 2.97Å; N188-Q348 WeakPolarHBondContact OD1-CG 3.46Å; N188-Q348 PolarHBondContact OD1-NE2 3.21Å; N188-Q348 PolarHBondContact OD1-OE1 2.75Å
189E54.5Low75.9Confident166 Ų16649 Ų4978%0.77625%0.251SS*.THydrogen-bonded Turntrans-60.422.6-162.3-74.3-164.4145.500119.1
190D53Low76.1Confident155 Ų15548.9 Ų48.983%0.82925%0.251SS*.THydrogen-bonded Turntrans-132.1-0-179.1-95.2-34000116.3N188N188-D190 PolarHBondContact O-N 2.77Å
191D49.2Very low76.1Confident74 Ų7449.4 Ų49.440%0.39625%0.253SS..SBendtrans-148.5118.6-176.7-101.3-55.2000117.8R69R69-D191 IonicContact CZ-OD2 2.7Å; R69-D191 IonicContact NH1-OD2 3.86Å; R69-D191 PolarHBondContact NH1-OD2 3.35Å; R69-D191 IonicContact NH2-OD1 2.63Å; R69-D191 IonicContact NH2-OD2 3.64Å; R69-D191 PolarHBondContact NH2-OD2 2.84Å
192S51.4Low76.1Confident71 Ų7148.5 Ų48.550%0.49725%0.247SC..  trans41.993.8144.757.20000119.6K194S192-K194 VanDerWaalsContact C-N 3.27Å; S192-K194 PolarHBondContact O-N 2.8Å
193R55Low76Confident179 Ų17949 Ų4968%0.67525%0.25SS*.SBendtrans59.8-26.1135.7-67.6-175.6-163.5179.45.1120.8V461 E463R193-V461 HydrophobicContact CB-CG1 4.13Å; R193-E463 WeakPolarHBondContact CD-OE2 3.44Å; R193-E463 IonicContact CZ-OE2 3.82Å; R193-E463 VanDerWaalsContact NH1-CD 3.26Å; R193-E463 IonicContact NH1-OE1 2.84Å; R193-E463 PolarHBondContact NH1-OE1 2.81Å; R193-E463 IonicContact NH1-OE2 2.63Å; R193-E463 PolarHBondContact NH1-OE2 3.29Å
194K62Low75.9Confident29 Ų2948.6 Ų48.613%0.12625%0.248CC..  trans-107.4128.9-176.4-70.2-152.2-167.31320112.7D70 S192 E463 N464D70-K194 WeakPolarHBondContact OD1-CD 3.26Å; D70-K194 IonicContact OD1-NZ 3.76Å; D70-K194 WeakPolarHBondContact OD2-CD 3.44Å; D70-K194 WeakPolarHBondContact OD2-CE 3.06Å; D70-K194 WeakPolarHBondContact OD2-CG 3.32Å; D70-K194 IonicContact OD2-NZ 2.81Å; D70-K194 PolarHBondContact OD2-NZ 2.8Å; S192-K194 VanDerWaalsContact C-N 3.27Å; S192-K194 PolarHBondContact O-N 2.8Å; K194-E463 WeakPolarHBondContact CE-O 3.4Å; K194-E463 PolarHBondContact NZ-O 3.22Å; K194-N464 VanDerWaalsContact CE-OD1 3.28Å; K194-N464 WeakPolarHBondContact CE-OD1 3.37Å; K194-N464 PolarHBondContact NZ-OD1 3.48Å; K194-N464 VanDerWaalsContact NZ-OD1 3.07Å
195L71Confident76Confident46 Ų4648.3 Ų48.324%0.24125%0.245CC..  trans-87.3146.6178.7-62.1161.9000109.5A184 Y355A184-L195 HydrophobicContact CB-CB 4.08Å; A184-L195 HydrophobicContact CB-CD1 4.08Å; L195-Y355 HydrophobicContact CD1-CD1 3.45Å; L195-Y355 VanDerWaalsContact CD1-CD1 3.45Å; L195-Y355 HydrophobicContact CD1-CD2 4.15Å; L195-Y355 HydrophobicContact CD1-CE1 4.36Å; L195-Y355 HydrophobicContact CD1-CG 3.32Å
196Y81.1Confident76.1Confident35 Ų3548 Ų4814%0.13724%0.244CC..EExtended strand (participates in β ladder)trans-92.8161.7177.5-50.8-40.3000111.7G68 R69 A184 I185 P187G68-Y196 WeakPolarHBondContact O-CD1 3.28Å; G68-Y196 WeakPolarHBondContact O-CE1 3.4Å; R69-Y196 WeakPolarHBondContact CG-OH 3.31Å; R69-Y196 PolarHBondContact N-OH 3.35Å; A184-Y196 CarbonylContact C-O 3.58Å; A184-Y196 WeakPolarHBondContact CA-O 3.24Å; I185-Y196 PolarHBondContact N-O 3.16Å; I185-Y196 PolarHBondContact O-N 2.84Å; I185-Y196 VanDerWaalsContact O-N 3.1Å; P187-Y196 HydrophobicContact CB-CD2 4.37Å; P187-Y196 HydrophobicContact CB-CE2 3.52Å; P187-Y196 WeakPolarHBondContact CB-OH 3.42Å; P187-Y196 HydrophobicContact CG-CE2 4.44Å
197G88.7Confident76.7Confident3 Ų345.6 Ų45.63%0.03124%0.235CC..EExtended strand (participates in β ladder)trans110.5-145.917700000111.9Y65 R66 V183Y65-G197 CarbonylContact C-O 3.6Å; Y65-G197 VanDerWaalsContact CA-O 3.28Å; Y65-G197 WeakPolarHBondContact CA-O 3.48Å; R66-G197 PolarHBondContact N-O 3.06Å; R66-G197 PolarHBondContact O-N 3.44Å; V183-G197 CarbonylContact O-C 3.53Å; V183-G197 WeakPolarHBondContact O-CA 3.41Å
198V92.5Very high77.4Confident4 Ų450.5 Ų50.52%0.02426%0.256CS..EExtended strand (participates in β ladder)trans-103.3121.5-170.9177.50000109.7S64 Y65 P180 S181 S182 V183 Y200 V406S64-V198 WeakPolarHBondContact O-CA 3.38Å; Y65-V198 HydrophobicContact CD2-CG2 4.01Å; P180-V198 HydrophobicContact CB-CG1 4.12Å; P180-V198 HydrophobicContact CB-CG2 4.25Å; P180-V198 HydrophobicContact CG-CG1 3.73Å; P180-V198 HydrophobicContact CG-CG2 4.27Å; S181-V198 WeakPolarHBondContact O-CB 3.46Å; S181-V198 WeakPolarHBondContact O-CG1 3.3Å; S182-V198 WeakPolarHBondContact CA-O 3.47Å; V183-V198 PolarHBondContact N-O 3.22Å; V183-V198 PolarHBondContact O-N 2.96Å; V198-Y200 HydrophobicContact CG1-CE2 4Å; V198-V406 HydrophobicContact CG2-CG2 4.3Å
199S92.6Very high78.4Confident44 Ų4453 Ų5331%0.30826%0.262SS..EExtended strand (participates in β ladder)trans-125.2145.6179.375.20000111.7C63 S64C63-S199 WeakPolarHBondContact CA-O 3.49Å; S64-S199 PolarHBondContact N-O 2.66Å; S64-S199 PolarHBondContact O-N 2.81Å; S64-S199 PolarHBondContact OG-OG 2.82Å
200Y94.8Very high79.4Confident1 Ų147.6 Ų47.60%0.00424%0.239CC..EExtended strand (participates in β ladder)trans-112.7132.6172.2-70.9-97.6000109.2F61 T62 C63 I175 S179 P180 S182 V198 L224 R226F61-Y200 HydrophobicContact CE1-CD1 4.31Å; F61-Y200 HydrophobicContact CE1-CE1 4.49Å; F61-Y200 AromaticContact CE2-CD1 3.64Å; F61-Y200 HydrophobicContact CE2-CD1 3.64Å; F61-Y200 HydrophobicContact CE2-CE1 4.47Å; F61-Y200 HydrophobicContact CE2-CG 4.48Å; F61-Y200 AromaticContact CZ-CD1 3.35Å; F61-Y200 HydrophobicContact CZ-CD1 3.35Å; F61-Y200 AromaticContact CZ-CE1 3.75Å; F61-Y200 HydrophobicContact CZ-CE1 3.75Å; T62-Y200 CarbonylContact O-C 3.5Å; T62-Y200 VanDerWaalsContact O-CA 3.29Å; T62-Y200 WeakPolarHBondContact O-CA 3.21Å; C63-Y200 HydrophobicContact CB-CD1 3.78Å; C63-Y200 HydrophobicContact CB-CE1 3.48Å; C63-Y200 VanDerWaalsContact CB-CE1 3.48Å; I175-Y200 HydrophobicContact CG2-CE1 4.36Å; S179-Y200 VanDerWaalsContact CB-OH 3.28Å; S179-Y200 WeakPolarHBondContact CB-OH 3.33Å; S179-Y200 PolarHBondContact OG-OH 3.36Å; P180-Y200 VanDerWaalsContact O-CE2 3.29Å; P180-Y200 WeakPolarHBondContact O-CE2 3.46Å; P180-Y200 PolarHBondContact O-OH 3.32Å; S182-Y200 VanDerWaalsContact OG-CD2 3.29Å; S182-Y200 WeakPolarHBondContact OG-CD2 3.49Å; V198-Y200 HydrophobicContact CG1-CE2 4Å; Y200-L224 PolarHBondContact O-N 2.63Å; Y200-R226 HydrophobicContact CD2-CB 4.28Å; Y200-R226 HydrophobicContact CE2-CB 3.98Å
201T94.2Very high80.2Confident15 Ų1548.5 Ų48.59%0.09224%0.238CC..EExtended strand (participates in β ladder)trans-132.5136.3178.457.20000110.6F61 T62 T221 I222F61-T201 WeakPolarHBondContact CA-O 3.3Å; T62-T201 PolarHBondContact N-O 2.76Å; T62-T201 PolarHBondContact O-N 2.67Å; T201-T221 HydrophobicContact CG2-CG2 4.15Å; T201-I222 WeakPolarHBondContact CA-O 3.38Å
202L94.8Very high81Confident0 Ų046.9 Ų46.90%023%0.232CC..EExtended strand (participates in β ladder)trans-108.8110.9168.8-173.969.9000109L24 L26 I41 L59 I60 F61 F171 I173 T221 I222 L224L24-L202 HydrophobicContact CD1-CD2 4.42Å; L24-L202 HydrophobicContact CD1-CG 4.43Å; L26-L202 HydrophobicContact CD1-CD2 4.09Å; L26-L202 HydrophobicContact CD2-CD2 3.97Å; L26-L202 HydrophobicContact CG-CD2 4.45Å; I41-L202 HydrophobicContact CG2-CD2 4.44Å; L59-L202 HydrophobicContact CD1-CD1 3.71Å; L59-L202 HydrophobicContact CD1-CD2 4.41Å; L59-L202 HydrophobicContact CD1-CG 3.94Å; L59-L202 HydrophobicContact CD2-CD1 4.14Å; L59-L202 HydrophobicContact CG-CD1 3.89Å; I60-L202 CarbonylContact O-C 3.53Å; I60-L202 WeakPolarHBondContact O-CA 3.42Å; F61-L202 HydrophobicContact CB-CD1 4.02Å; F171-L202 HydrophobicContact CE2-CD2 3.93Å; F171-L202 HydrophobicContact CZ-CD2 3.81Å; I173-L202 HydrophobicContact CD1-CD1 3.72Å; L202-T221 CarbonylContact O-C 3.56Å; L202-T221 WeakPolarHBondContact O-CA 3.33Å; L202-I222 PolarHBondContact N-O 2.77Å; L202-I222 PolarHBondContact O-N 3.12Å; L202-L224 HydrophobicContact CB-CD1 4.02Å; L202-L224 HydrophobicContact CB-CG 4.43Å
203T94Very high81.6Confident12 Ų1247.7 Ų47.77%0.07424%0.238CC..EExtended strand (participates in β ladder)trans-112.5129.5-176.2-55.80000109.7L59 I60 T219 V220 T221L59-T203 CarbonylContact C-O 3.54Å; L59-T203 WeakPolarHBondContact CA-O 3.1Å; I60-T203 PolarHBondContact N-O 2.89Å; I60-T203 PolarHBondContact O-N 2.79Å; T203-T219 HydrophobicContact CG2-CG2 3.58Å; T203-V220 CarbonylContact C-O 3.57Å; T203-V220 VanDerWaalsContact CA-O 3.28Å; T203-V220 WeakPolarHBondContact CA-O 3.29Å; T203-T221 WeakPolarHBondContact OG1-CG2 3.29Å; T203-T221 PolarHBondContact OG1-OG1 2.92Å
204A92.8Very high82.4Confident0 Ų041.7 Ų41.70%022%0.218CC..EExtended strand (participates in β ladder)trans-118.4141.3166.700000110.3L24 L45 F58 L59 T219 V220L24-A204 HydrophobicContact CD1-CB 3.86Å; L24-A204 HydrophobicContact CD2-CB 4Å; L24-A204 HydrophobicContact CG-CB 3.97Å; L45-A204 HydrophobicContact CD1-CB 3.46Å; L45-A204 VanDerWaalsContact CD1-CB 3.46Å; F58-A204 VanDerWaalsContact O-CA 3.26Å; F58-A204 WeakPolarHBondContact O-CA 3.3Å; L59-A204 HydrophobicContact CD1-CB 4.03Å; A204-T219 WeakPolarHBondContact O-CA 3.39Å; A204-V220 HydrophobicContact CB-CG1 3.91Å; A204-V220 PolarHBondContact N-O 3.03Å; A204-V220 PolarHBondContact O-N 2.81Å
205F91.9Very high82.9Confident0 Ų042.7 Ų42.70%023%0.227CC..EExtended strand (participates in β ladder)trans-149.4154.9174.371.8-80.8000111.6F58 I60 L210 Q214 S218 T219F58-F205 HydrophobicContact CB-CD1 4.08Å; F58-F205 HydrophobicContact CB-CE1 3.54Å; F58-F205 HydrophobicContact CB-CE2 4.44Å; F58-F205 HydrophobicContact CB-CZ 3.76Å; F58-F205 HydrophobicContact CD2-CD2 4.35Å; F58-F205 HydrophobicContact CD2-CE1 4.26Å; F58-F205 AromaticContact CD2-CE2 3.65Å; F58-F205 HydrophobicContact CD2-CE2 3.65Å; F58-F205 AromaticContact CD2-CZ 3.59Å; F58-F205 HydrophobicContact CD2-CZ 3.59Å; F58-F205 HydrophobicContact CE2-CE2 4.35Å; F58-F205 HydrophobicContact CE2-CZ 4.46Å; F58-F205 HydrophobicContact CG-CE1 4.19Å; F58-F205 HydrophobicContact CG-CE2 4.38Å; F58-F205 AromaticContact CG-CZ 3.88Å; F58-F205 HydrophobicContact CG-CZ 3.88Å; F58-F205 PolarHBondContact N-O 3.2Å; F58-F205 PolarHBondContact O-N 2.8Å; F58-F205 VanDerWaalsContact O-N 3.08Å; I60-F205 HydrophobicContact CD1-CD1 4.44Å; I60-F205 HydrophobicContact CD1-CE1 3.65Å; I60-F205 HydrophobicContact CG1-CE1 4.22Å; F205-L210 HydrophobicContact CZ-CD1 4.24Å; F205-Q214 HydrophobicContact CD1-CG 4.18Å; F205-Q214 HydrophobicContact CD2-CG 4.23Å; F205-Q214 HydrophobicContact CE1-CG 4.22Å; F205-Q214 HydrophobicContact CE2-CG 4.26Å; F205-Q214 HydrophobicContact CG-CG 4.19Å; F205-Q214 HydrophobicContact CZ-CG 4.26Å; F205-S218 VanDerWaalsContact CA-O 3.26Å; F205-S218 WeakPolarHBondContact CA-O 3.37Å; F205-T219 HydrophobicContact CB-CG2 4.19Å; F205-T219 WeakPolarHBondContact CB-OG1 3.28Å
206A89.4Confident83.1Confident3 Ų346.6 Ų46.63%0.02525%0.247CC..EExtended strand (participates in β ladder)trans-100.4135.3171.100000109.7L22 V51 E55 Y56 V57 S218L22-A206 HydrophobicContact CD1-CB 4.06Å; V51-A206 HydrophobicContact CG1-CB 3.78Å; E55-A206 HydrophobicContact CB-CB 4.25Å; E55-A206 WeakPolarHBondContact OE2-CB 3.12Å; Y56-A206 WeakPolarHBondContact O-CA 3.45Å; V57-A206 HydrophobicContact CG2-CB 4.31Å; A206-S218 PolarHBondContact N-O 3.16Å; A206-S218 PolarHBondContact O-OG 3.09Å
207G85.3Confident83.2Confident7 Ų748.1 Ų48.17%0.07226%0.263CS..EExtended strand (participates in β ladder)trans-175171.2-179.600000114E55 Y56E55-G207 PolarHBondContact OE2-N 2.91Å; Y56-G207 VanDerWaalsContact CB-O 3.3Å; Y56-G207 WeakPolarHBondContact CB-O 3.21Å; Y56-G207 PolarHBondContact N-O 3.14Å; Y56-G207 VanDerWaalsContact N-O 3.09Å; Y56-G207 PolarHBondContact O-N 2.91Å
208Q80.4Confident83.1Confident119 Ų11948.5 Ų48.556%0.55627%0.265SS*.SBendtrans-83.6-27.7-178.3-69-63.5-12.100113.7T54T54-Q208 PolarHBondContact O-NE2 3.27Å
209K77.8Confident83.1Confident149 Ų14949.2 Ų49.265%0.64827%0.269SS*.SBendtrans-139.1150-178.8-65.4-178.6-177.6175.90108.9H211 S212K209-H211 PolarHBondContact O-N 2.82Å; K209-S212 PolarHBondContact O-N 2.77Å; K209-S212 PolarHBondContact O-OG 2.76Å
210L75.8Confident83.1Confident54 Ų5447.3 Ų47.328%0.28326%0.256SS..THydrogen-bonded Turntrans-57.4-36.8175.3178.462.4000112.6F58 I60 T87 F205F58-L210 HydrophobicContact CB-CD1 4.46Å; F58-L210 HydrophobicContact CD1-CD1 3.96Å; F58-L210 HydrophobicContact CE1-CB 4.21Å; F58-L210 HydrophobicContact CE1-CD1 4.46Å; F58-L210 HydrophobicContact CG-CD1 4.2Å; F58-L210 HydrophobicContact CZ-CB 4.44Å; I60-L210 HydrophobicContact CD1-CD1 4.15Å; T87-L210 HydrophobicContact CG2-CD1 3.27Å; T87-L210 HydrophobicContact CG2-CD2 3.69Å; T87-L210 HydrophobicContact CG2-CG 4.1Å; F205-L210 HydrophobicContact CZ-CD1 4.24Å
211H70.6Confident83Confident173 Ų17348.4 Ų48.480%0.80126%0.263SS*.THydrogen-bonded Turntrans-96.57.9-177.3-51.7-62000113.7K209K209-H211 PolarHBondContact O-N 2.82Å
212S64.9Low83Confident41 Ų4147.8 Ų47.829%0.28726%0.258SS..SBendtrans-65.4144.2169.456.60000108.8K209 Q214K209-S212 PolarHBondContact O-N 2.77Å; K209-S212 PolarHBondContact O-OG 2.76Å; S212-Q214 PolarHBondContact O-N 3.39Å
213S65.1Low82.9Confident88 Ų8849.2 Ų49.262%0.61527%0.266SS*.  trans-42.9118.9169.1167.20000108.9P215S213-P215 WeakPolarHBondContact O-CD 3.46Å; S213-P215 VanDerWaalsContact O-N 3.15Å
214Q70.7Confident82.9Confident53 Ų5348.8 Ų48.825%0.24826%0.263CS..  trans-68.7104.5178.9-69.2176.6-14.700107.5F205 S212 I216 Q465F205-Q214 HydrophobicContact CD1-CG 4.18Å; F205-Q214 HydrophobicContact CD2-CG 4.23Å; F205-Q214 HydrophobicContact CE1-CG 4.22Å; F205-Q214 HydrophobicContact CE2-CG 4.26Å; F205-Q214 HydrophobicContact CG-CG 4.19Å; F205-Q214 HydrophobicContact CZ-CG 4.26Å; S212-Q214 PolarHBondContact O-N 3.39Å; Q214-I216 PolarHBondContact O-N 3.22Å; Q214-Q465 PolarHBondContact O-NE2 3.48Å
215P72.4Confident83Confident50 Ų5049 Ų4933%0.32526%0.264SS..  trans-64.5129.7-177.8-11.827.1000108.1S213 S217 S218 T219S213-P215 WeakPolarHBondContact O-CD 3.46Å; S213-P215 VanDerWaalsContact O-N 3.15Å; P215-S217 PolarHBondContact O-N 2.57Å; P215-S217 VanDerWaalsContact O-N 3.15Å; P215-S218 WeakPolarHBondContact CB-OG 3.29Å; P215-S218 WeakPolarHBondContact CD-OG 3.39Å; P215-S218 VanDerWaalsContact CG-OG 3.26Å; P215-S218 WeakPolarHBondContact CG-OG 3.4Å; P215-S218 PolarHBondContact O-N 3.27Å; P215-S218 PolarHBondContact O-OG 3.22Å; P215-T219 WeakPolarHBondContact O-CB 3.47Å; P215-T219 PolarHBondContact O-N 2.62Å; P215-T219 VanDerWaalsContact O-N 3.16Å; P215-T219 PolarHBondContact O-OG1 2.84Å
216I75.8Confident83.2Confident128 Ų12849 Ų4966%0.65626%0.264SS*.G310 helixtrans-55.1-36.9-179.8-62.3170.3000110.5P18 Q214 S218P18-I216 WeakPolarHBondContact CG-O 3.45Å; Q214-I216 PolarHBondContact O-N 3.22Å; I216-S218 PolarHBondContact O-N 3.47Å
217S83.5Confident83.4Confident67 Ų6749.1 Ų49.147%0.46926%0.264SS..G310 helixtrans-67.1-29.7-179.4540000114.5P18 D19 P215P18-S217 WeakPolarHBondContact CD-O 3.01Å; D19-S217 WeakPolarHBondContact CB-O 3.38Å; D19-S217 PolarHBondContact N-O 2.91Å; D19-S217 VanDerWaalsContact N-O 3.11Å; P215-S217 PolarHBondContact O-N 2.57Å; P215-S217 VanDerWaalsContact O-N 3.15Å
218S86.7Confident83.9Confident10 Ų1049 Ų497%0.0726%0.261CS..G310 helixtrans-110.113.9-176.669.10000113.2T17 F205 A206 P215 I216T17-S218 VanDerWaalsContact CG2-C 3.46Å; T17-S218 WeakPolarHBondContact CG2-O 3.49Å; F205-S218 VanDerWaalsContact CA-O 3.26Å; F205-S218 WeakPolarHBondContact CA-O 3.37Å; A206-S218 PolarHBondContact N-O 3.16Å; A206-S218 PolarHBondContact O-OG 3.09Å; P215-S218 WeakPolarHBondContact CB-OG 3.29Å; P215-S218 WeakPolarHBondContact CD-OG 3.39Å; P215-S218 VanDerWaalsContact CG-OG 3.26Å; P215-S218 WeakPolarHBondContact CG-OG 3.4Å; P215-S218 PolarHBondContact O-N 3.27Å; P215-S218 PolarHBondContact O-OG 3.22Å; I216-S218 PolarHBondContact O-N 3.47Å
219T91.5Very high84.6Confident20 Ų2043.5 Ų43.512%0.12324%0.237CC..EExtended strand (participates in β ladder)trans-115.2135.6180-57.20000110.9P18 T203 A204 F205 P215P18-T219 WeakPolarHBondContact CD-O 3.43Å; T203-T219 HydrophobicContact CG2-CG2 3.58Å; A204-T219 WeakPolarHBondContact O-CA 3.39Å; F205-T219 HydrophobicContact CB-CG2 4.19Å; F205-T219 WeakPolarHBondContact CB-OG1 3.28Å; P215-T219 WeakPolarHBondContact O-CB 3.47Å; P215-T219 PolarHBondContact O-N 2.62Å; P215-T219 VanDerWaalsContact O-N 3.16Å; P215-T219 PolarHBondContact O-OG1 2.84Å
220V93.2Very high85.4Confident4 Ų436.5 Ų36.52%0.02421%0.206CC..EExtended strand (participates in β ladder)trans-128.4128.8173.9580000109.4K15 T17 L24 T203 A204K15-V220 HydrophobicContact CB-CG2 3.81Å; K15-V220 HydrophobicContact CD-CG2 3.89Å; K15-V220 HydrophobicContact CG-CG2 3.63Å; T17-V220 HydrophobicContact CG2-CB 3.78Å; T17-V220 HydrophobicContact CG2-CG1 3.83Å; L24-V220 HydrophobicContact CD1-CG1 3.87Å; L24-V220 HydrophobicContact CG-CG1 4.02Å; T203-V220 CarbonylContact C-O 3.57Å; T203-V220 VanDerWaalsContact CA-O 3.28Å; T203-V220 WeakPolarHBondContact CA-O 3.29Å; A204-V220 HydrophobicContact CB-CG1 3.91Å; A204-V220 PolarHBondContact N-O 3.03Å; A204-V220 PolarHBondContact O-N 2.81Å
221T92.6Very high86.3Confident24 Ų2434.6 Ų34.615%0.14720%0.197CC..EExtended strand (participates in β ladder)trans-125.1129.3-179-54.80000110.3K15 T201 L202 T203 V462K15-T221 VanDerWaalsContact CD-O 3.3Å; K15-T221 WeakPolarHBondContact CD-O 3.47Å; K15-T221 WeakPolarHBondContact CE-O 3.27Å; K15-T221 PolarHBondContact NZ-O 2.71Å; T201-T221 HydrophobicContact CG2-CG2 4.15Å; L202-T221 CarbonylContact O-C 3.56Å; L202-T221 WeakPolarHBondContact O-CA 3.33Å; T203-T221 WeakPolarHBondContact OG1-CG2 3.29Å; T203-T221 PolarHBondContact OG1-OG1 2.92Å; T221-V462 HydrophobicContact CG2-CB 4.27Å; T221-V462 HydrophobicContact CG2-CG1 4.2Å; T221-V462 HydrophobicContact CG2-CG2 4.03Å
222I93.2Very high87.3Confident1 Ų129.6 Ų29.61%0.00517%0.173CC..EExtended strand (participates in β ladder)trans-109.5130172.3-57.8176.5000108.5K15 L24 L26 R29 T201 L202 L224K15-I222 HydrophobicContact CB-CD1 3.89Å; K15-I222 HydrophobicContact CB-CG1 3.81Å; K15-I222 HydrophobicContact CD-CG1 3.78Å; K15-I222 HydrophobicContact CG-CG1 4.45Å; L24-I222 HydrophobicContact CB-CD1 3.71Å; L24-I222 HydrophobicContact CD1-CD1 4.1Å; L24-I222 HydrophobicContact CD1-CG1 4.31Å; L26-I222 HydrophobicContact CD1-CD1 3.88Å; L26-I222 HydrophobicContact CD1-CG2 4.13Å; L26-I222 HydrophobicContact CG-CD1 4.33Å; R29-I222 HydrophobicContact CG-CG2 3.97Å; T201-I222 WeakPolarHBondContact CA-O 3.38Å; L202-I222 PolarHBondContact N-O 2.77Å; L202-I222 PolarHBondContact O-N 3.12Å; I222-L224 HydrophobicContact CB-CD2 4.42Å; I222-L224 HydrophobicContact CG2-CD2 3.78Å
223I92.9Very high88.6Confident30 Ų3032.7 Ų32.715%0.15419%0.186CC..EExtended strand (participates in β ladder)trans-79.9134.3171-61.5177.8000109I356 D460 V462I223-I356 HydrophobicContact CG2-CG1 4.27Å; I223-D460 HydrophobicContact CB-CB 4.41Å; I223-D460 HydrophobicContact CD1-CB 3.81Å; I223-D460 HydrophobicContact CG1-CB 3.84Å; I223-V462 HydrophobicContact CD1-CG2 3.61Å; I223-V462 HydrophobicContact CG1-CG2 3.49Å; I223-V462 VanDerWaalsContact CG1-CG2 3.49Å
224L94.7Very high89.8Confident3 Ų335.1 Ų35.12%0.01619%0.19CC..EExtended strand (participates in β ladder)trans-117.2156.5178-46.7179.5000110.5L26 R29 F31 I41 F61 Y200 L202 I222L26-L224 HydrophobicContact CD1-CD2 3.73Å; R29-L224 HydrophobicContact CG-CD2 4.33Å; R29-L224 CarbonylContact O-C 3.57Å; R29-L224 WeakPolarHBondContact O-CA 3.4Å; F31-L224 HydrophobicContact CD2-CB 4.42Å; F31-L224 HydrophobicContact CE2-CB 4.25Å; F31-L224 HydrophobicContact CE2-CD1 3.98Å; F31-L224 HydrophobicContact CE2-CD2 4.09Å; F31-L224 HydrophobicContact CE2-CG 4.33Å; I41-L224 HydrophobicContact CD1-CD1 3.6Å; I41-L224 HydrophobicContact CG1-CD1 4.38Å; F61-L224 HydrophobicContact CD2-CD1 4.27Å; F61-L224 HydrophobicContact CE2-CD1 4.13Å; Y200-L224 PolarHBondContact O-N 2.63Å; L202-L224 HydrophobicContact CB-CD1 4.02Å; L202-L224 HydrophobicContact CB-CG 4.43Å; I222-L224 HydrophobicContact CB-CD2 4.42Å; I222-L224 HydrophobicContact CG2-CD2 3.78Å
225R95Very high90.8Very high4 Ų437.8 Ų37.82%0.01521%0.207CC..EExtended strand (participates in β ladder)trans-114.5141.8170.1-75.5173.5179.3156.6-3.8110.2R29 T30 F31 S182 E353 I356 E359 K360 N361R29-R225 PolarHBondContact O-N 3.06Å; T30-R225 CarbonylContact C-O 3.58Å; T30-R225 WeakPolarHBondContact CA-O 3.4Å; T30-R225 HydrophobicContact CG2-CB 3.99Å; F31-R225 PolarHBondContact N-O 2.89Å; S182-R225 WeakPolarHBondContact OG-CA 3.37Å; R225-E353 WeakPolarHBondContact CD-O 3.28Å; R225-E353 PolarHBondContact NE-O 3.23Å; R225-E353 VanDerWaalsContact NE-O 3.14Å; R225-I356 HydrophobicContact CG-CD1 3.81Å; R225-I356 HydrophobicContact CG-CG1 4.27Å; R225-I356 VanDerWaalsContact NH2-N 3.15Å; R225-E359 IonicContact NH1-OE2 3.95Å; R225-K360 PolarHBondContact NH1-O 2.72Å; R225-K360 PolarHBondContact NH2-O 2.91Å; R225-N361 PolarHBondContact NH2-OD1 2.87Å
226R95.2Very high91.9Very high1 Ų137.2 Ų37.20%0.00420%0.198CC..EExtended strand (participates in β ladder)trans-129.7137.4165.9174.4174.3164.6-86.94.6109.8F31 D33 V38 T177 S179 P180 S181 S182 Y200F31-R226 VanDerWaalsContact O-CA 3.31Å; F31-R226 WeakPolarHBondContact O-CA 3.41Å; D33-R226 IonicContact OD2-CZ 2.84Å; D33-R226 IonicContact OD2-NE 3.66Å; D33-R226 IonicContact OD2-NH2 3.58Å; D33-R226 PolarHBondContact OD2-NH2 2.66Å; V38-R226 HydrophobicContact CG1-CG 4.43Å; T177-R226 PolarHBondContact O-NH2 2.76Å; S179-R226 PolarHBondContact O-NH1 2.77Å; S179-R226 PolarHBondContact O-NH2 2.89Å; S179-R226 PolarHBondContact OG-NE 2.74Å; S179-R226 PolarHBondContact OG-NH1 2.8Å; S179-R226 VanDerWaalsContact OG-NH1 3.12Å; S179-R226 PolarHBondContact OG-NH2 2.84Å; P180-R226 PolarHBondContact O-NH1 2.92Å; S181-R226 CarbonylContact C-O 3.52Å; S181-R226 WeakPolarHBondContact CA-O 3.2Å; S182-R226 WeakPolarHBondContact CB-O 3.33Å; S182-R226 PolarHBondContact N-O 3.39Å; S182-R226 PolarHBondContact OG-N 2.97Å; Y200-R226 HydrophobicContact CD2-CB 4.28Å; Y200-R226 HydrophobicContact CE2-CB 3.98Å
227Y95.1Very high92.7Very high5 Ų533 Ų332%0.0218%0.179CC..EExtended strand (participates in β ladder)trans-146.8160.717268.2-99.9000111.3T30 F31 V32 D33 A229 E353 Q433T30-Y227 HydrophobicContact CG2-CD1 3.72Å; T30-Y227 HydrophobicContact CG2-CE1 3.4Å; F31-Y227 PolarHBondContact O-N 2.82Å; V32-Y227 HydrophobicContact CG1-CE2 4.03Å; V32-Y227 HydrophobicContact CG2-CE1 4.27Å; V32-Y227 HydrophobicContact CG2-CE2 4.23Å; D33-Y227 WeakPolarHBondContact CB-O 3.46Å; D33-Y227 PolarHBondContact N-O 2.86Å; Y227-A229 HydrophobicContact CE2-CB 4.32Å; Y227-E353 WeakPolarHBondContact CB-OE1 3.38Å; Y227-E353 HydrophobicContact CD1-CG 4.3Å; Y227-E353 HydrophobicContact CG-CG 4.42Å; Y227-Q433 HydrophobicContact CD2-CB 4.21Å; Y227-Q433 HydrophobicContact CE2-CB 3.56Å; Y227-Q433 HydrophobicContact CE2-CG 4.14Å; Y227-Q433 VanDerWaalsContact CZ-CD 3.47Å; Y227-Q433 PolarHBondContact OH-OE1 3.29Å
228I95.1Very high93.2Very high5 Ų535.6 Ų35.63%0.02619%0.187CC..EExtended strand (participates in β ladder)trans-88.7121.5173.7-57.6171.9000109.5D33 I368 F375 M432D33-I228 HydrophobicContact CB-CB 4.44Å; D33-I228 HydrophobicContact CB-CG1 3.95Å; D33-I228 WeakPolarHBondContact O-CA 3.43Å; I228-I368 HydrophobicContact CD1-CB 4.3Å; I228-F375 HydrophobicContact CG2-CE2 4.44Å; I228-M432 HydrophobicContact CG2-CE 4.33Å
229A95.2Very high93.5Very high4 Ų439.3 Ų39.33%0.03320%0.2CC..EExtended strand (participates in β ladder)trans-69.3140.2173.700000110.9V32 D33 Y227 F375 E435V32-A229 HydrophobicContact CG1-CB 3.47Å; V32-A229 VanDerWaalsContact CG1-CB 3.47Å; D33-A229 PolarHBondContact O-N 3.15Å; Y227-A229 HydrophobicContact CE2-CB 4.32Å; A229-F375 VanDerWaalsContact O-CZ 3.3Å; A229-F375 WeakPolarHBondContact O-CZ 3.17Å; A229-E435 HydrophobicContact CB-CB 4.15Å
230G94.7Very high93.7Very high1 Ų143.1 Ų43.11%0.0123%0.225CC..EExtended strand (participates in β ladder)trans-69.9173.4164.500000111.2Q433 E435G230-Q433 PolarHBondContact N-O 2.83Å; G230-E435 WeakPolarHBondContact O-CB 3.35Å; G230-E435 PolarHBondContact O-N 3.06Å; G230-E435 VanDerWaalsContact O-N 3.14Å
231P94.2Very high93.9Very high15 Ų1543.4 Ų43.410%0.09723%0.227CC..PPolyproline II helixtrans-59.5159.9178.725.7-33.1000110.9N235 L268 Y270 F375 L379P231-N235 HydrophobicContact CB-CB 4.16Å; P231-L268 HydrophobicContact CG-CD1 4.13Å; P231-Y270 PolarHBondContact O-OH 3.02Å; P231-F375 HydrophobicContact CB-CE1 4.43Å; P231-L379 HydrophobicContact CG-CD1 4.31Å
232K92.2Very high94.1Very high68 Ų6845 Ų4530%0.29624%0.242SC..PPolyproline II helixtrans-54.4151.3167.7-64-179.2-177.1172.70110.2I234 N235 R236 E435K232-I234 HydrophobicContact CB-CG2 4.11Å; K232-I234 PolarHBondContact O-N 2.87Å; K232-I234 VanDerWaalsContact O-N 3.07Å; K232-N235 CarbonylContact O-C 3.58Å; K232-N235 WeakPolarHBondContact O-CA 3.47Å; K232-N235 PolarHBondContact O-N 3.29Å; K232-R236 PolarHBondContact O-N 3.47Å; K232-R236 VanDerWaalsContact O-N 3.14Å; K232-E435 WeakPolarHBondContact CE-OE2 3.49Å; K232-E435 HydrophobicContact CG-CB 4.03Å; K232-E435 HydrophobicContact CG-CG 4.26Å; K232-E435 VanDerWaalsContact CG-OE2 3.29Å; K232-E435 WeakPolarHBondContact CG-OE2 3.32Å
233L90.9Very high94.2Very high105 Ų10547.2 Ų47.255%0.5525%0.253SS..G310 helixtrans-53.6-36.4-177.1-145.580.1000113N235 R236 Y270L233-N235 VanDerWaalsContact C-N 3.33Å; L233-R236 WeakPolarHBondContact O-CB 3.47Å; L233-R236 PolarHBondContact O-N 3.42Å; L233-Y270 HydrophobicContact CD1-CD2 3.75Å; L233-Y270 HydrophobicContact CD1-CE2 3.43Å; L233-Y270 VanDerWaalsContact CD1-CE2 3.43Å; L233-Y270 HydrophobicContact CG-CE2 4.48Å
234I91.5Very high94.4Very high139 Ų13949.6 Ų49.671%0.71327%0.272SS*.G310 helixtrans-70.1-26.3177.4-168.7165.7000113.7K232K232-I234 HydrophobicContact CB-CG2 4.11Å; K232-I234 PolarHBondContact O-N 2.87Å; K232-I234 VanDerWaalsContact O-N 3.07Å
235N92.2Very high94.5Very high110 Ų11052 Ų5259%0.58828%0.284SS*.G310 helixtrans-100.35.9-179.2-66.1-12.1000112.2P231 K232 L233P231-N235 HydrophobicContact CB-CB 4.16Å; K232-N235 CarbonylContact O-C 3.58Å; K232-N235 WeakPolarHBondContact O-CA 3.47Å; K232-N235 PolarHBondContact O-N 3.29Å; L233-N235 VanDerWaalsContact C-N 3.33Å
236R93.9Very high94.5Very high37 Ų3758.7 Ų58.714%0.1431%0.309CS..SBendtrans-61.4132.7176.8175.7173.654.5-174.3-5.7109.6K232 L233 L238 L268 Y270 E273K232-R236 PolarHBondContact O-N 3.47Å; K232-R236 VanDerWaalsContact O-N 3.14Å; L233-R236 WeakPolarHBondContact O-CB 3.47Å; L233-R236 PolarHBondContact O-N 3.42Å; R236-L238 HydrophobicContact CG-CD2 4.44Å; R236-L238 PolarHBondContact O-N 3.36Å; R236-L268 HydrophobicContact CG-CD2 4.33Å; R236-Y270 HydrophobicContact CB-CE2 4.4Å; R236-Y270 HydrophobicContact CG-CE2 4.38Å; R236-E273 IonicContact CZ-OE1 2.85Å; R236-E273 VanDerWaalsContact NH1-CD 3.27Å; R236-E273 IonicContact NH1-OE1 3.64Å; R236-E273 PolarHBondContact NH1-OE1 3.14Å; R236-E273 IonicContact NH1-OE2 3.91Å; R236-E273 PolarHBondContact NH1-OE2 3.49Å
237P93.4Very high94.3Very high39 Ų3962.5 Ų62.525%0.25333%0.326SS..  trans-63.4129.3172.6-19.631000111.6Y239 P267P237-Y239 HydrophobicContact CB-CD1 4.24Å; P237-Y239 HydrophobicContact CB-CE1 3.76Å; P237-P267 HydrophobicContact CB-CG 3.7Å; P237-P267 HydrophobicContact CG-CG 4.47Å
238L93.7Very high94.2Very high122 Ų12265.5 Ų65.564%0.63935%0.345SS*.  trans-124.176.4-176.6-66.2176.7000110.7R236 K266R236-L238 HydrophobicContact CG-CD2 4.44Å; R236-L238 PolarHBondContact O-N 3.36Å; L238-K266 HydrophobicContact CD2-CD 4Å; L238-K266 HydrophobicContact CD2-CG 3.98Å
239Y94.4Very high93.8Very high89 Ų8965.5 Ų65.535%0.34935%0.345SS..  trans-141.2145.2171.157-96.3000110.3P237 V241 E265 K266 P267 Q383P237-Y239 HydrophobicContact CB-CD1 4.24Å; P237-Y239 HydrophobicContact CB-CE1 3.76Å; Y239-V241 HydrophobicContact CD2-CG2 4.45Å; Y239-V241 HydrophobicContact CE2-CG2 4.24Å; Y239-E265 CarbonylContact C-O 3.56Å; Y239-E265 VanDerWaalsContact C-O 3.25Å; Y239-E265 VanDerWaalsContact O-O 3.11Å; Y239-K266 WeakPolarHBondContact O-CA 3.28Å; Y239-P267 HydrophobicContact CD1-CG 4.47Å; Y239-P267 HydrophobicContact CE1-CG 3.92Å; Y239-P267 HydrophobicContact CE2-CB 4.01Å; Y239-P267 HydrophobicContact CE2-CG 3.94Å; Y239-P267 WeakPolarHBondContact O-CD 3.41Å; Y239-Q383 PolarHBondContact OH-OE1 3.34Å
240P95.5Very high93.2Very high99 Ų9971 Ų7164%0.64337%0.374SS*.  trans-69.9144.5179.629.2-34.6000111I264 E265P240-I264 CarbonylContact C-O 3.49Å; P240-I264 WeakPolarHBondContact CA-O 3.44Å; P240-I264 WeakPolarHBondContact CB-O 3.24Å; P240-E265 WeakPolarHBondContact CA-O 3.48Å
241V96.2Very high92.3Very high10 Ų1076.2 Ų76.26%0.06140%0.397CS..EExtended strand (participates in β ladder)trans-112.1121.9174.4-170.40000107.3Y239 S263 I264 P267 I427Y239-V241 HydrophobicContact CD2-CG2 4.45Å; Y239-V241 HydrophobicContact CE2-CG2 4.24Å; V241-S263 CarbonylContact O-C 3.57Å; V241-S263 WeakPolarHBondContact O-CA 3.48Å; V241-I264 HydrophobicContact CB-CD1 4.21Å; V241-I264 HydrophobicContact CB-CG1 3.83Å; V241-I264 HydrophobicContact CG2-CG1 4.32Å; V241-I264 PolarHBondContact N-O 3.49Å; V241-I264 PolarHBondContact O-N 3.06Å; V241-P267 HydrophobicContact CG2-CB 3.78Å; V241-I427 HydrophobicContact CB-CG2 3.99Å; V241-I427 HydrophobicContact CG1-CG2 3.66Å
242A96.5Very high91.2Very high57 Ų5784.3 Ų84.347%0.47144%0.438SS..EExtended strand (participates in β ladder)trans-127.1139-179.500000110.5A262A242-A262 CarbonylContact C-O 3.53Å; A242-A262 VanDerWaalsContact CA-O 3.3Å; A242-A262 WeakPolarHBondContact CA-O 3.42Å
243E96.5Very high90.4Very high49 Ų4985.7 Ų85.723%0.22946%0.455CS..EExtended strand (participates in β ladder)trans-130146.8174.3-68.5-67.6164.400108.6A262 K387 V425 I427E243-A262 PolarHBondContact N-O 3.3Å; E243-A262 PolarHBondContact O-N 3.06Å; E243-K387 WeakPolarHBondContact OE1-CE 3.45Å; E243-K387 IonicContact OE1-NZ 3.45Å; E243-K387 PolarHBondContact OE1-NZ 3.39Å; E243-V425 HydrophobicContact CB-CG2 3.54Å; E243-I427 HydrophobicContact CB-CG1 4.2Å; E243-I427 HydrophobicContact CG-CG1 4.42Å; E243-I427 HydrophobicContact CG-CG2 4.49Å
244S96.3Very high89.7Confident80 Ų8085.9 Ų85.956%0.55945%0.449SS*.EExtended strand (participates in β ladder)trans-132.5149-178.970.10000111.7L260S244-L260 CarbonylContact C-O 3.25Å; S244-L260 VanDerWaalsContact CA-O 3.27Å; S244-L260 WeakPolarHBondContact CA-O 3.32Å
245I96.3Very high89.4Confident54 Ų5482.8 Ų82.828%0.27744%0.44SS..EExtended strand (participates in β ladder)trans-136.3134.8173.8-169.2169.4000109.7L260 F423 S424 V425I245-L260 HydrophobicContact CG2-CB 3.98Å; I245-L260 HydrophobicContact CG2-CD2 4.17Å; I245-L260 HydrophobicContact CG2-CG 4.4Å; I245-L260 PolarHBondContact N-O 3.16Å; I245-L260 PolarHBondContact O-N 2.79Å; I245-F423 HydrophobicContact CG2-CD2 3.9Å; I245-F423 HydrophobicContact CG2-CE2 4.29Å; I245-S424 WeakPolarHBondContact CD1-O 3.16Å; I245-V425 HydrophobicContact CB-CB 4.41Å; I245-V425 HydrophobicContact CG2-CB 3.9Å
246R94.9Very high89.3Confident143 Ų14378.5 Ų78.554%0.5442%0.421SS..EExtended strand (participates in β ladder)trans-101.3125.4170.2-179-178.4-64.2-79.3-5.6108.7E257 V259R246-E257 WeakPolarHBondContact CD-OE1 3.21Å; R246-E257 WeakPolarHBondContact CD-OE2 3.37Å; R246-E257 IonicContact CZ-OE2 2.92Å; R246-E257 IonicContact NE-OE2 2.64Å; R246-E257 IonicContact NH1-OE2 2.8Å; R246-E257 PolarHBondContact NH1-OE2 2.56Å; R246-V259 HydrophobicContact CG-CG2 4.41Å
247K92.8Very high89.3Confident81 Ų8179.3 Ų79.335%0.35243%0.427SS..EExtended strand (participates in β ladder)trans-117.1108.8174.6-176.161.2176.3173.30110I249 E257 V258 F423K247-I249 HydrophobicContact CG-CG1 4.31Å; K247-E257 WeakPolarHBondContact O-CA 3.3Å; K247-V258 PolarHBondContact N-O 2.8Å; K247-V258 PolarHBondContact O-N 2.89Å; K247-F423 HydrophobicContact CB-CB 4.25Å; K247-F423 HydrophobicContact CB-CD1 3.94Å; K247-F423 HydrophobicContact CB-CD2 4.09Å; K247-F423 HydrophobicContact CB-CE1 4.29Å; K247-F423 HydrophobicContact CB-CE2 4.41Å; K247-F423 HydrophobicContact CB-CG 3.84Å; K247-F423 HydrophobicContact CD-CB 4.3Å; K247-F423 HydrophobicContact CG-CB 4.09Å; K247-F423 HydrophobicContact CG-CD1 3.81Å; K247-F423 HydrophobicContact CG-CE1 4.43Å; K247-F423 HydrophobicContact CG-CG 3.97Å
248T92.1Very high89.3Confident69 Ų6977.5 Ų77.542%0.42342%0.415SS..EExtended strand (participates in β ladder)trans-78.1134.8169.3-39.50000110.1E257T248-E257 HydrophobicContact CG2-CG 4.09Å; T248-E257 PolarHBondContact OG1-OE1 2.93Å
249I86Confident89.4Confident4 Ų472.5 Ų72.52%0.02139%0.39CS..EExtended strand (participates in β ladder)trans-124.6112.8178.5-61.1178.6000107.1K247 F251 S255 G256 I418K247-I249 HydrophobicContact CG-CG1 4.31Å; I249-F251 HydrophobicContact CG2-CD2 3.61Å; I249-F251 HydrophobicContact CG2-CE2 3.87Å; I249-S255 CarbonylContact O-C 3.52Å; I249-S255 VanDerWaalsContact O-CA 3.24Å; I249-S255 WeakPolarHBondContact O-CA 3.32Å; I249-G256 PolarHBondContact N-O 3.5Å; I249-G256 PolarHBondContact O-N 3.28Å; I249-G256 VanDerWaalsContact O-N 3.11Å; I249-I418 HydrophobicContact CD1-CB 4.29Å; I249-I418 HydrophobicContact CD1-CD1 4.05Å; I249-I418 HydrophobicContact CD1-CG1 4.16Å; I249-I418 HydrophobicContact CD1-CG2 3.22Å
250N82.7Confident89.6Confident120 Ų12068.3 Ų68.364%0.64237%0.373SS*.EExtended strand (participates in β ladder)trans-13196.9176.2-74.4-23000108.7
251F77.5Confident89.7Confident111 Ų11165.8 Ų65.849%0.48736%0.356SS..EExtended strand (participates in β ladder)trans-121.3166.1169.4-65.5-77.7000109.1I249 C253 Y254I249-F251 HydrophobicContact CG2-CD2 3.61Å; I249-F251 HydrophobicContact CG2-CE2 3.87Å; F251-C253 PolarHBondContact O-N 3.26Å; F251-Y254 HydrophobicContact CB-CD2 4.44Å; F251-Y254 PolarHBondContact N-O 2.9Å; F251-Y254 PolarHBondContact O-N 2.89Å
252L70.7Confident89.8Confident185 Ų18565.3 Ų65.397%0.96935%0.353SS*.THydrogen-bonded Turntrans-46.1-36.3-170.8-100.676.7000115.6
253C74.1Confident89.9Confident96 Ų9663.8 Ų63.865%0.64934%0.339SS*.THydrogen-bonded Turntrans-119.60.8-178.6-54.50000113.9F251 N286F251-C253 PolarHBondContact O-N 3.26Å; C253-N286 PolarHBondContact O-ND2 2.96Å
254Y76.6Confident89.9Confident110 Ų11061.6 Ų61.643%0.43133%0.329SS..EExtended strand (participates in β ladder)trans-132.2116.5-173.7-50.1-68.7000109.8F251 N286 L287F251-Y254 HydrophobicContact CB-CD2 4.44Å; F251-Y254 PolarHBondContact N-O 2.9Å; F251-Y254 PolarHBondContact O-N 2.89Å; Y254-N286 WeakPolarHBondContact CA-OD1 3.39Å; Y254-L287 HydrophobicContact CD1-CD1 3.8Å; Y254-L287 HydrophobicContact CD1-CD2 3.4Å; Y254-L287 HydrophobicContact CD1-CG 3.47Å; Y254-L287 VanDerWaalsContact CD1-CG 3.47Å; Y254-L287 HydrophobicContact CD2-CD1 4.24Å; Y254-L287 HydrophobicContact CE1-CD1 4.46Å; Y254-L287 HydrophobicContact CE1-CD2 3.41Å; Y254-L287 VanDerWaalsContact CE1-CD2 3.41Å; Y254-L287 HydrophobicContact CE1-CG 4.05Å; Y254-L287 HydrophobicContact CG-CD1 3.66Å; Y254-L287 HydrophobicContact CG-CD2 4.11Å; Y254-L287 HydrophobicContact CG-CG 3.89Å
255S84.6Confident90Very high74 Ų7462.5 Ų62.552%0.51732%0.324SS..EExtended strand (participates in β ladder)trans-130.5150.4178.361.20000110.2I249 N286I249-S255 CarbonylContact O-C 3.52Å; I249-S255 VanDerWaalsContact O-CA 3.24Å; I249-S255 WeakPolarHBondContact O-CA 3.32Å; S255-N286 PolarHBondContact N-OD1 2.93Å; S255-N286 PolarHBondContact O-N 3.17Å
256G90.5Very high90Very high19 Ų1961.8 Ų61.820%0.19632%0.319CS..EExtended strand (participates in β ladder)trans139.3-170.9171.100000112.3I249I249-G256 PolarHBondContact N-O 3.5Å; I249-G256 PolarHBondContact O-N 3.28Å; I249-G256 VanDerWaalsContact O-N 3.11Å
257E93.4Very high90.1Very high55 Ų5555.2 Ų55.226%0.25730%0.295SS..EExtended strand (participates in β ladder)trans-131146.9-179.4-60-159125.400111.8R246 K247 T248 Y284 C285R246-E257 WeakPolarHBondContact CD-OE1 3.21Å; R246-E257 WeakPolarHBondContact CD-OE2 3.37Å; R246-E257 IonicContact CZ-OE2 2.92Å; R246-E257 IonicContact NE-OE2 2.64Å; R246-E257 IonicContact NH1-OE2 2.8Å; R246-E257 PolarHBondContact NH1-OE2 2.56Å; K247-E257 WeakPolarHBondContact O-CA 3.3Å; T248-E257 HydrophobicContact CG2-CG 4.09Å; T248-E257 PolarHBondContact OG1-OE1 2.93Å; E257-Y284 CarbonylContact O-C 3.56Å; E257-Y284 VanDerWaalsContact O-CA 3.3Å; E257-Y284 WeakPolarHBondContact O-CA 3.49Å; E257-Y284 VanDerWaalsContact O-CB 3.26Å; E257-Y284 WeakPolarHBondContact O-CB 2.99Å; E257-Y284 PolarHBondContact O-N 3.05Å; E257-C285 PolarHBondContact N-SG 2.95Å; E257-C285 VanDerWaalsContact N-SG 3.38Å
258V93.8Very high90.3Very high0 Ų051.4 Ų51.40%028%0.278CS..EExtended strand (participates in β ladder)trans-113.9128.4166.3-171.30000108.8K247 L281 D282 I418 F423K247-V258 PolarHBondContact N-O 2.8Å; K247-V258 PolarHBondContact O-N 2.89Å; V258-L281 HydrophobicContact CG1-CD2 3.59Å; V258-D282 WeakPolarHBondContact CA-O 3.31Å; V258-I418 HydrophobicContact CG2-CD1 3.41Å; V258-I418 VanDerWaalsContact CG2-CD1 3.41Å; V258-I418 HydrophobicContact CG2-CG2 4.45Å; V258-F423 HydrophobicContact CB-CE1 4.35Å; V258-F423 HydrophobicContact CB-CZ 3.87Å; V258-F423 HydrophobicContact CG1-CE1 4.49Å; V258-F423 HydrophobicContact CG1-CE2 4.42Å; V258-F423 HydrophobicContact CG1-CZ 3.66Å
259V96.7Very high90.5Very high18 Ų1848.2 Ų48.211%0.10926%0.259CS..EExtended strand (participates in β ladder)trans-105.1118.8170.4-174.50000107.6R246 L281 D282 Y284R246-V259 HydrophobicContact CG-CG2 4.41Å; V259-L281 WeakPolarHBondContact O-CA 3.44Å; V259-D282 HydrophobicContact CB-CB 4.3Å; V259-D282 PolarHBondContact N-O 3.4Å; V259-D282 PolarHBondContact O-N 3.25Å; V259-Y284 HydrophobicContact CG2-CE2 4.22Å
260L97.4Very high91Very high0 Ų048.3 Ų48.30%026%0.259CS..EExtended strand (participates in β ladder)trans-112.4118.3176.1169.567.5000108S244 I245 V279 L281 V414 C416 F423 V425S244-L260 CarbonylContact C-O 3.25Å; S244-L260 VanDerWaalsContact CA-O 3.27Å; S244-L260 WeakPolarHBondContact CA-O 3.32Å; I245-L260 HydrophobicContact CG2-CB 3.98Å; I245-L260 HydrophobicContact CG2-CD2 4.17Å; I245-L260 HydrophobicContact CG2-CG 4.4Å; I245-L260 PolarHBondContact N-O 3.16Å; I245-L260 PolarHBondContact O-N 2.79Å; L260-V279 HydrophobicContact CD1-CG1 3.42Å; L260-V279 VanDerWaalsContact CD1-CG1 3.42Å; L260-L281 HydrophobicContact CB-CD2 3.72Å; L260-L281 HydrophobicContact CD1-CD1 4.25Å; L260-L281 HydrophobicContact CD1-CD2 3.61Å; L260-L281 HydrophobicContact CD1-CG 3.69Å; L260-L281 HydrophobicContact CG-CD2 4.22Å; L260-V414 HydrophobicContact CD1-CG1 4.04Å; L260-V414 HydrophobicContact CD2-CB 4.45Å; L260-V414 HydrophobicContact CD2-CG1 4.03Å; L260-C416 HydrophobicContact CD2-CB 4.31Å; L260-F423 HydrophobicContact CB-CE2 3.72Å; L260-F423 HydrophobicContact CD2-CD2 4.2Å; L260-F423 HydrophobicContact CD2-CE2 3.78Å; L260-F423 HydrophobicContact CG-CE2 4.41Å; L260-V425 HydrophobicContact CD2-CB 4.38Å; L260-V425 HydrophobicContact CD2-CG1 3.67Å; L260-V425 HydrophobicContact CG-CG1 3.94Å
261T98Very high91.6Very high46 Ų4643.5 Ų43.528%0.28223%0.232SC..EExtended strand (participates in β ladder)trans-113.3129.1171.5-55.10000108V280T261-V280 PolarHBondContact N-O 3.08Å; T261-V280 PolarHBondContact O-N 2.96Å
262A98.2Very high92.4Very high0 Ų041.4 Ų41.40%023%0.226CC..EExtended strand (participates in β ladder)trans-126.9140.6176.600000109.5A242 E243 L278 V279 V414 V425 I427A242-A262 CarbonylContact C-O 3.53Å; A242-A262 VanDerWaalsContact CA-O 3.3Å; A242-A262 WeakPolarHBondContact CA-O 3.42Å; E243-A262 PolarHBondContact N-O 3.3Å; E243-A262 PolarHBondContact O-N 3.06Å; A262-L278 CarbonylContact C-O 3.57Å; A262-L278 VanDerWaalsContact CA-O 3.28Å; A262-L278 WeakPolarHBondContact CA-O 3.09Å; A262-V279 HydrophobicContact CB-CG2 4.46Å; A262-V414 HydrophobicContact CB-CB 4.27Å; A262-V414 HydrophobicContact CB-CG2 3.66Å; A262-V425 HydrophobicContact CB-CG1 3.8Å; A262-I427 VanDerWaalsContact C-CD1 3.41Å; A262-I427 HydrophobicContact CB-CD1 3.67Å; A262-I427 HydrophobicContact CB-CG1 4.32Å; A262-I427 WeakPolarHBondContact O-CD1 3.33Å
263S98.2Very high93.5Very high26 Ų2635.1 Ų35.118%0.18219%0.192CC..EExtended strand (participates in β ladder)trans-140.1149-178.663.60000112.9V241 L278V241-S263 CarbonylContact O-C 3.57Å; V241-S263 WeakPolarHBondContact O-CA 3.48Å; S263-L278 PolarHBondContact N-O 3.27Å; S263-L278 PolarHBondContact O-N 3.45Å
264I98.2Very high94.6Very high3 Ų333.8 Ų33.82%0.01518%0.184CC..EExtended strand (participates in β ladder)trans-120.5157.9170.661.1-176.1000109.4P240 V241 K266 Y269 V275 V277 V412 I427 F429P240-I264 CarbonylContact C-O 3.49Å; P240-I264 WeakPolarHBondContact CA-O 3.44Å; P240-I264 WeakPolarHBondContact CB-O 3.24Å; V241-I264 HydrophobicContact CB-CD1 4.21Å; V241-I264 HydrophobicContact CB-CG1 3.83Å; V241-I264 HydrophobicContact CG2-CG1 4.32Å; V241-I264 PolarHBondContact N-O 3.49Å; V241-I264 PolarHBondContact O-N 3.06Å; I264-K266 WeakPolarHBondContact CD1-O 3.35Å; I264-K266 WeakPolarHBondContact CG1-O 3.12Å; I264-Y269 HydrophobicContact CD1-CE2 4.29Å; I264-V275 HydrophobicContact CB-CG1 4.41Å; I264-V275 HydrophobicContact CG2-CG1 3.86Å; I264-V277 HydrophobicContact CG2-CG2 4.12Å; I264-V412 HydrophobicContact CG2-CG2 4.07Å; I264-I427 HydrophobicContact CD1-CG2 3.69Å; I264-I427 HydrophobicContact CG1-CG2 3.9Å; I264-I427 HydrophobicContact CG2-CD1 4.08Å; I264-F429 HydrophobicContact CD1-CB 3.7Å; I264-F429 HydrophobicContact CD1-CG 4.42Å
265E97.1Very high95.6Very high99 Ų9928.5 Ų28.546%0.46316%0.163SC..SBendtrans-73.3-28.8-172.7-56.7-171.3148.900114.2Y239 P240 Y269 D276Y239-E265 CarbonylContact C-O 3.56Å; Y239-E265 VanDerWaalsContact C-O 3.25Å; Y239-E265 VanDerWaalsContact O-O 3.11Å; P240-E265 WeakPolarHBondContact CA-O 3.48Å; E265-Y269 PolarHBondContact N-OH 3.47Å; E265-D276 HydrophobicContact CG-CB 4.42Å
266K96.2Very high96.2Very high39 Ų3927.8 Ų27.817%0.1715%0.153CC..  trans-140.8150.8-169.7-59.2162.8-164.8154.60110.4L238 Y239 I264 Y269L238-K266 HydrophobicContact CD2-CD 4Å; L238-K266 HydrophobicContact CD2-CG 3.98Å; Y239-K266 WeakPolarHBondContact O-CA 3.28Å; I264-K266 WeakPolarHBondContact CD1-O 3.35Å; I264-K266 WeakPolarHBondContact CG1-O 3.12Å; K266-Y269 HydrophobicContact CB-CD2 4.5Å; K266-Y269 HydrophobicContact CB-CE2 3.96Å; K266-Y269 HydrophobicContact CD-CE1 4.3Å; K266-Y269 PolarHBondContact N-OH 3.34Å; K266-Y269 WeakPolarHBondContact O-CE2 3.33Å
267P96.4Very high96.6Very high4 Ų426.9 Ų26.93%0.02614%0.144CC..SBendtrans-79.6-20.9171.835.5-39000113.1P237 Y239 V241 Q383 F429 L430P237-P267 HydrophobicContact CB-CG 3.7Å; P237-P267 HydrophobicContact CG-CG 4.47Å; Y239-P267 HydrophobicContact CD1-CG 4.47Å; Y239-P267 HydrophobicContact CE1-CG 3.92Å; Y239-P267 HydrophobicContact CE2-CB 4.01Å; Y239-P267 HydrophobicContact CE2-CG 3.94Å; Y239-P267 WeakPolarHBondContact O-CD 3.41Å; V241-P267 HydrophobicContact CG2-CB 3.78Å; P267-Q383 HydrophobicContact CB-CG 4.35Å; P267-Q383 VanDerWaalsContact CB-NE2 3.28Å; P267-Q383 VanDerWaalsContact CB-OE1 3.31Å; P267-F429 CarbonylContact O-C 3.59Å; P267-F429 WeakPolarHBondContact O-CA 3.48Å; P267-L430 PolarHBondContact O-N 2.9Å
268L97.4Very high96.8Very high2 Ų227.1 Ų27.11%0.0115%0.147CC..EExtended strand (participates in β ladder)trans-132.1126.3-174.7-172.5157.4000109.5P231 R236 Y270 L379 L430 M432P231-L268 HydrophobicContact CG-CD1 4.13Å; R236-L268 HydrophobicContact CG-CD2 4.33Å; L268-Y270 HydrophobicContact CD2-CD1 4.09Å; L268-Y270 HydrophobicContact CD2-CE1 3.67Å; L268-Y270 HydrophobicContact CD2-CE2 4.27Å; L268-L379 HydrophobicContact CD1-CD1 4.24Å; L268-L379 HydrophobicContact CD1-CD2 4.13Å; L268-L430 WeakPolarHBondContact CA-O 3.43Å; L268-L430 HydrophobicContact CB-CB 4.37Å; L268-L430 HydrophobicContact CD1-CB 4.47Å; L268-L430 HydrophobicContact CD1-CD1 4.5Å; L268-L430 HydrophobicContact CG-CB 4.17Å; L268-M432 HydrophobicContact CD1-CG 4.49Å; L268-M432 HydrophobicContact CD1-SD 3.78Å; L268-M432 HydrophobicContact CG-SD 4.49Å
269Y97.6Very high97Very high1 Ų127.1 Ų27.10%0.00415%0.147CC..EExtended strand (participates in β ladder)trans-116.7151173.7-71.4-96000109.6I264 E265 K266 E273 S274 V275 F429 L430 L431 M432I264-Y269 HydrophobicContact CD1-CE2 4.29Å; E265-Y269 PolarHBondContact N-OH 3.47Å; K266-Y269 HydrophobicContact CB-CD2 4.5Å; K266-Y269 HydrophobicContact CB-CE2 3.96Å; K266-Y269 HydrophobicContact CD-CE1 4.3Å; K266-Y269 PolarHBondContact N-OH 3.34Å; K266-Y269 WeakPolarHBondContact O-CE2 3.33Å; Y269-E273 HydrophobicContact CD1-CB 4.33Å; Y269-S274 WeakPolarHBondContact CE1-O 3.18Å; Y269-V275 HydrophobicContact CD1-CG2 3.85Å; Y269-V275 HydrophobicContact CD2-CG2 4.03Å; Y269-V275 HydrophobicContact CE1-CB 4.29Å; Y269-V275 HydrophobicContact CE1-CG1 4.4Å; Y269-V275 HydrophobicContact CE1-CG2 3.99Å; Y269-V275 HydrophobicContact CE2-CG1 4.02Å; Y269-V275 HydrophobicContact CE2-CG2 4.17Å; Y269-V275 HydrophobicContact CG-CG2 3.87Å; Y269-F429 AromaticContact CD2-CD2 3.86Å; Y269-F429 HydrophobicContact CD2-CD2 3.86Å; Y269-F429 HydrophobicContact CD2-CE2 4.47Å; Y269-F429 HydrophobicContact CD2-CG 4.43Å; Y269-L430 PolarHBondContact N-O 3.42Å; Y269-L431 WeakPolarHBondContact O-CA 3.39Å; Y269-M432 PolarHBondContact O-N 3.08Å
270Y96.7Very high97.1Very high7 Ų727.4 Ų27.43%0.02715%0.148CC..EExtended strand (participates in β ladder)trans-93.9155169.8-59.9-67000111P231 L233 R236 L268 E273 M432 P434P231-Y270 PolarHBondContact O-OH 3.02Å; L233-Y270 HydrophobicContact CD1-CD2 3.75Å; L233-Y270 HydrophobicContact CD1-CE2 3.43Å; L233-Y270 VanDerWaalsContact CD1-CE2 3.43Å; L233-Y270 HydrophobicContact CG-CE2 4.48Å; R236-Y270 HydrophobicContact CB-CE2 4.4Å; R236-Y270 HydrophobicContact CG-CE2 4.38Å; L268-Y270 HydrophobicContact CD2-CD1 4.09Å; L268-Y270 HydrophobicContact CD2-CE1 3.67Å; L268-Y270 HydrophobicContact CD2-CE2 4.27Å; Y270-E273 PolarHBondContact N-OE2 2.64Å; Y270-E273 VanDerWaalsContact O-CB 3.24Å; Y270-E273 WeakPolarHBondContact O-CB 3.29Å; Y270-E273 WeakPolarHBondContact O-CG 3.45Å; Y270-E273 PolarHBondContact O-N 3.28Å; Y270-M432 CarbonylContact C-O 3.56Å; Y270-M432 WeakPolarHBondContact CA-O 3.39Å; Y270-M432 WeakPolarHBondContact CD1-O 3.28Å; Y270-P434 HydrophobicContact CD1-CB 3.76Å; Y270-P434 HydrophobicContact CD1-CG 4.17Å; Y270-P434 VanDerWaalsContact CD1-N 3.34Å; Y270-P434 HydrophobicContact CD2-CB 4.46Å; Y270-P434 HydrophobicContact CE1-CB 3.6Å; Y270-P434 HydrophobicContact CE1-CG 4.5Å; Y270-P434 HydrophobicContact CE2-CB 4.34Å; Y270-P434 HydrophobicContact CG-CB 4.18Å; Y270-P434 HydrophobicContact CG-CG 4.35Å
271H94.9Very high97.1Very high19 Ų1927.4 Ų27.49%0.08815%0.148CC..THydrogen-bonded Turntrans-52.3144174.9-68.8-75.2000111.8E273 E353 L363 S365 M432 Q433H271-E273 PolarHBondContact O-N 3.07Å; H271-E353 IonicContact NE2-OE2 3.95Å; H271-L363 PolarHBondContact CE1-O 3.26Å; H271-S365 PolarHBondContact NE2-OG 3.5Å; H271-M432 PolarHBondContact CD2-O 3.08Å; H271-M432 PolarHBondContact N-O 3.01Å; H271-Q433 VanDerWaalsContact CD2-CG 3.49Å; H271-Q433 WeakPolarHBondContact CD2-CG 3.5Å
272D93.1Very high97Very high67 Ų6726 Ų2636%0.35814%0.139SC..THydrogen-bonded Turntrans66.83.2-175.3-48.4-45000114.7T339 K360D272-T339 PolarHBondContact N-OG1 3.47Å; D272-T339 VanDerWaalsContact N-OG1 3.15Å; D272-K360 IonicContact OD1-NZ 2.75Å; D272-K360 IonicContact OD2-NZ 3.97Å; D272-K360 PolarHBondContact OD2-NZ 2.87Å
273E94.9Very high96.9Very high52 Ų5226 Ų2624%0.24314%0.139CC..  trans-81142.7168.2-65.2-171.3140.300111.2R236 Y269 Y270 H271 T339R236-E273 IonicContact CZ-OE1 2.85Å; R236-E273 VanDerWaalsContact NH1-CD 3.27Å; R236-E273 IonicContact NH1-OE1 3.64Å; R236-E273 PolarHBondContact NH1-OE1 3.14Å; R236-E273 IonicContact NH1-OE2 3.91Å; R236-E273 PolarHBondContact NH1-OE2 3.49Å; Y269-E273 HydrophobicContact CD1-CB 4.33Å; Y270-E273 PolarHBondContact N-OE2 2.64Å; Y270-E273 VanDerWaalsContact O-CB 3.24Å; Y270-E273 WeakPolarHBondContact O-CB 3.29Å; Y270-E273 WeakPolarHBondContact O-CG 3.45Å; Y270-E273 PolarHBondContact O-N 3.28Å; H271-E273 PolarHBondContact O-N 3.07Å; E273-T339 PolarHBondContact N-OG1 3.25Å; E273-T339 WeakPolarHBondContact O-CB 3.46Å; E273-T339 VanDerWaalsContact O-CG2 3.31Å; E273-T339 WeakPolarHBondContact O-CG2 3.48Å; E273-T339 PolarHBondContact O-OG1 3.49Å
274S96.3Very high96.7Very high68 Ų6829.7 Ų29.748%0.47615%0.15SC..EExtended strand (participates in β ladder)trans-79142.1171.3-57.20000111.7Y269 L337Y269-S274 WeakPolarHBondContact CE1-O 3.18Å; S274-L337 CarbonylContact C-O 3.56Å; S274-L337 VanDerWaalsContact CA-O 3.31Å; S274-L337 WeakPolarHBondContact CA-O 3.46Å
275V98Very high96.4Very high0 Ų029.8 Ų29.80%015%0.15CC..EExtended strand (participates in β ladder)trans-103106.4175.9-178.10000108.9I264 Y269 V277 I296 L337 T339 V412 F429I264-V275 HydrophobicContact CB-CG1 4.41Å; I264-V275 HydrophobicContact CG2-CG1 3.86Å; Y269-V275 HydrophobicContact CD1-CG2 3.85Å; Y269-V275 HydrophobicContact CD2-CG2 4.03Å; Y269-V275 HydrophobicContact CE1-CB 4.29Å; Y269-V275 HydrophobicContact CE1-CG1 4.4Å; Y269-V275 HydrophobicContact CE1-CG2 3.99Å; Y269-V275 HydrophobicContact CE2-CG1 4.02Å; Y269-V275 HydrophobicContact CE2-CG2 4.17Å; Y269-V275 HydrophobicContact CG-CG2 3.87Å; V275-V277 HydrophobicContact CG1-CG2 4.22Å; V275-I296 HydrophobicContact CB-CD1 4.2Å; V275-I296 HydrophobicContact CG2-CD1 3.95Å; V275-L337 PolarHBondContact N-O 3.15Å; V275-L337 PolarHBondContact O-N 2.88Å; V275-T339 HydrophobicContact CG2-CG2 3.79Å; V275-V412 HydrophobicContact CG1-CG2 4.03Å; V275-F429 HydrophobicContact CG2-CE2 4.38Å; V275-F429 HydrophobicContact CG2-CZ 4.46Å
276D97.8Very high96Very high59 Ų5929 Ų2932%0.31615%0.149SC..EExtended strand (participates in β ladder)trans-79124.2173.8-69.4-31.6000110.6E265 A336E265-D276 HydrophobicContact CG-CB 4.42Å; D276-A336 WeakPolarHBondContact OD1-CA 3.28Å; D276-A336 WeakPolarHBondContact OD1-CB 3.28Å
277V98.5Very high95.8Very high0 Ų028.6 Ų28.60%015%0.149CC..EExtended strand (participates in β ladder)trans-116.1118.7-177.4-172.80000109.1I264 V275 V279 I294 T334 T335 L337 V412 V414I264-V277 HydrophobicContact CG2-CG2 4.12Å; V275-V277 HydrophobicContact CG1-CG2 4.22Å; V277-V279 HydrophobicContact CG1-CG2 4.2Å; V277-I294 HydrophobicContact CB-CG2 4.2Å; V277-I294 HydrophobicContact CG1-CG2 4.03Å; V277-I294 HydrophobicContact CG2-CG2 4.18Å; V277-T334 WeakPolarHBondContact O-CA 3.49Å; V277-T335 HydrophobicContact CB-CG2 4.33Å; V277-T335 PolarHBondContact N-O 2.92Å; V277-T335 PolarHBondContact O-N 3.35Å; V277-L337 HydrophobicContact CG2-CD1 3.8Å; V277-L337 HydrophobicContact CG2-CG 4.36Å; V277-V412 HydrophobicContact CG1-CG1 4Å; V277-V412 HydrophobicContact CG2-CG1 3.76Å; V277-V412 HydrophobicContact CG2-CG2 4.23Å; V277-V414 HydrophobicContact CG1-CG2 4.23Å
278L98.3Very high95.6Very high59 Ų5930.3 Ų30.331%0.30916%0.161SC..EExtended strand (participates in β ladder)trans-95.5130.3168.9172.465.3000109.4A262 S263 V280A262-L278 CarbonylContact C-O 3.57Å; A262-L278 VanDerWaalsContact CA-O 3.28Å; A262-L278 WeakPolarHBondContact CA-O 3.09Å; S263-L278 PolarHBondContact N-O 3.27Å; S263-L278 PolarHBondContact O-N 3.45Å; L278-V280 HydrophobicContact CD1-CG2 4.48Å; L278-V280 HydrophobicContact CD2-CG2 4.46Å; L278-V280 HydrophobicContact CG-CG2 4.27Å
279V98.1Very high95.5Very high0 Ų030.5 Ų30.50%016%0.163CC..EExtended strand (participates in β ladder)trans-117.8127.9174.6178.30000109L260 A262 V277 L281 L292 I294 W331 K332 Y333 V414L260-V279 HydrophobicContact CD1-CG1 3.42Å; L260-V279 VanDerWaalsContact CD1-CG1 3.42Å; A262-V279 HydrophobicContact CB-CG2 4.46Å; V277-V279 HydrophobicContact CG1-CG2 4.2Å; V279-L281 HydrophobicContact CG1-CD1 4.27Å; V279-L281 HydrophobicContact CG1-CG 4.26Å; V279-L292 HydrophobicContact CG1-CD2 4.29Å; V279-I294 HydrophobicContact CG2-CD1 3.81Å; V279-I294 HydrophobicContact CG2-CG1 4.43Å; V279-W331 HydrophobicContact CG1-CZ3 4.35Å; V279-K332 CarbonylContact O-C 3.27Å; V279-K332 WeakPolarHBondContact O-CA 3.39Å; V279-Y333 PolarHBondContact N-O 2.65Å; V279-Y333 PolarHBondContact O-N 3.39Å; V279-V414 HydrophobicContact CG1-CG1 4.3Å; V279-V414 HydrophobicContact CG2-CG1 3.9Å; V279-V414 HydrophobicContact CG2-CG2 4.07Å
280V98Very high95.3Very high24 Ų2438.3 Ų38.315%0.14519%0.192CC..EExtended strand (participates in β ladder)trans-117.7124.9172.4-173.70000108.8T261 L278 W331 K332T261-V280 PolarHBondContact N-O 3.08Å; T261-V280 PolarHBondContact O-N 2.96Å; L278-V280 HydrophobicContact CD1-CG2 4.48Å; L278-V280 HydrophobicContact CD2-CG2 4.46Å; L278-V280 HydrophobicContact CG-CG2 4.27Å; V280-W331 CarbonylContact C-O 3.59Å; V280-W331 VanDerWaalsContact CA-O 3.29Å; V280-W331 WeakPolarHBondContact CA-O 3.22Å; V280-K332 HydrophobicContact CG2-CG 4.34Å
281L96.9Very high95.3Very high0 Ų040.9 Ų40.90%020%0.203CC..EExtended strand (participates in β ladder)trans-121.3125.9179-84.5162000110.7V258 V259 L260 V279 L292 P324 Q330 W331V258-L281 HydrophobicContact CG1-CD2 3.59Å; V259-L281 WeakPolarHBondContact O-CA 3.44Å; L260-L281 HydrophobicContact CB-CD2 3.72Å; L260-L281 HydrophobicContact CD1-CD1 4.25Å; L260-L281 HydrophobicContact CD1-CD2 3.61Å; L260-L281 HydrophobicContact CD1-CG 3.69Å; L260-L281 HydrophobicContact CG-CD2 4.22Å; V279-L281 HydrophobicContact CG1-CD1 4.27Å; V279-L281 HydrophobicContact CG1-CG 4.26Å; L281-L292 HydrophobicContact CD1-CD1 4.47Å; L281-P324 HydrophobicContact CB-CG 3.84Å; L281-P324 HydrophobicContact CD1-CG 3.87Å; L281-P324 HydrophobicContact CG-CG 4.46Å; L281-Q330 PolarHBondContact O-N 3.11Å; L281-W331 HydrophobicContact CB-CB 4.45Å; L281-W331 HydrophobicContact CB-CE3 3.98Å; L281-W331 HydrophobicContact CD1-CE3 3.85Å; L281-W331 HydrophobicContact CD1-CZ3 3.75Å; L281-W331 HydrophobicContact CG-CE3 4.35Å; L281-W331 PolarHBondContact N-O 3.35Å; L281-W331 PolarHBondContact O-N 2.99Å; L281-W331 VanDerWaalsContact O-N 3.08Å
282D96.6Very high95.4Very high17 Ų1740 Ų409%0.09120%0.199CC..EExtended strand (participates in β ladder)trans-108.9113164.8-57.6-53.5000108.7V258 V259 Y284 Q330V258-D282 WeakPolarHBondContact CA-O 3.31Å; V259-D282 HydrophobicContact CB-CB 4.3Å; V259-D282 PolarHBondContact N-O 3.4Å; V259-D282 PolarHBondContact O-N 3.25Å; D282-Y284 HydrophobicContact CB-CD2 4.24Å; D282-Y284 HydrophobicContact CB-CE2 3.43Å; D282-Y284 VanDerWaalsContact CB-CE2 3.43Å; D282-Q330 PolarHBondContact OD1-N 3.38Å; D282-Q330 PolarHBondContact OD1-NE2 3.04Å; D282-Q330 PolarHBondContact OD2-NE2 2.99Å
283N95.2Very high95.6Very high0 Ų037.4 Ų37.40%019%0.185CC..EExtended strand (participates in β ladder)trans-104.690.4-176.8-176.316.9000111.2C285 L287 P324 Q325 G327 E328N283-C285 PolarHBondContact O-N 3.47Å; N283-C285 VanDerWaalsContact OD1-CB 3.31Å; N283-C285 WeakPolarHBondContact OD1-CB 3.45Å; N283-C285 PolarHBondContact OD1-N 3.06Å; N283-C285 VanDerWaalsContact OD1-N 3.17Å; N283-L287 PolarHBondContact ND2-O 2.62Å; N283-P324 HydrophobicContact CB-CB 4.19Å; N283-Q325 PolarHBondContact ND2-O 3.45Å; N283-G327 CarbonylContact O-C 3.54Å; N283-G327 VanDerWaalsContact O-C 3.27Å; N283-G327 WeakPolarHBondContact O-CA 3.17Å; N283-G327 PolarHBondContact O-N 2.85Å; N283-E328 WeakPolarHBondContact CA-O 3.12Å; N283-E328 PolarHBondContact N-O 2.83Å; N283-E328 PolarHBondContact O-N 2.87Å
284Y94.1Very high95.8Very high104 Ų10435 Ų3541%0.40817%0.174SC..  trans-86.310.8174.3-51.4-82.3000112.9E257 V259 D282 Q329E257-Y284 CarbonylContact O-C 3.56Å; E257-Y284 VanDerWaalsContact O-CA 3.3Å; E257-Y284 WeakPolarHBondContact O-CA 3.49Å; E257-Y284 VanDerWaalsContact O-CB 3.26Å; E257-Y284 WeakPolarHBondContact O-CB 2.99Å; E257-Y284 PolarHBondContact O-N 3.05Å; V259-Y284 HydrophobicContact CG2-CE2 4.22Å; D282-Y284 HydrophobicContact CB-CD2 4.24Å; D282-Y284 HydrophobicContact CB-CE2 3.43Å; D282-Y284 VanDerWaalsContact CB-CE2 3.43Å; Y284-Q329 HydrophobicContact CD1-CG 4.48Å; Y284-Q329 HydrophobicContact CE1-CG 3.86Å
285C91.7Very high95.9Very high4 Ų431.8 Ų31.83%0.02715%0.151CC..SBendtrans-85.7158.3173.4-64.80000111.6E257 N283 L287 A326 G327 I418E257-C285 PolarHBondContact N-SG 2.95Å; E257-C285 VanDerWaalsContact N-SG 3.38Å; N283-C285 PolarHBondContact O-N 3.47Å; N283-C285 VanDerWaalsContact OD1-CB 3.31Å; N283-C285 WeakPolarHBondContact OD1-CB 3.45Å; N283-C285 PolarHBondContact OD1-N 3.06Å; N283-C285 VanDerWaalsContact OD1-N 3.17Å; C285-L287 HydrophobicContact CB-CB 4.46Å; C285-L287 PolarHBondContact O-N 3.04Å; C285-A326 WeakPolarHBondContact O-CA 3.33Å; C285-G327 PolarHBondContact O-N 2.87Å; C285-I418 HydrophobicContact CB-CD1 3.69Å
286N90.2Very high95.8Very high82 Ų8231.8 Ų31.844%0.43915%0.151SC..SBendtrans-7911.4167.167.7-10.8000113.8C253 Y254 S255C253-N286 PolarHBondContact O-ND2 2.96Å; Y254-N286 WeakPolarHBondContact CA-OD1 3.39Å; S255-N286 PolarHBondContact N-OD1 2.93Å; S255-N286 PolarHBondContact O-N 3.17Å
287L91.2Very high95.7Very high31 Ų3129 Ų2916%0.16214%0.136CC..SBendtrans-117.8140.3179.3-75.8175.9000110.1Y254 N283 C285 I418Y254-L287 HydrophobicContact CD1-CD1 3.8Å; Y254-L287 HydrophobicContact CD1-CD2 3.4Å; Y254-L287 HydrophobicContact CD1-CG 3.47Å; Y254-L287 VanDerWaalsContact CD1-CG 3.47Å; Y254-L287 HydrophobicContact CD2-CD1 4.24Å; Y254-L287 HydrophobicContact CE1-CD1 4.46Å; Y254-L287 HydrophobicContact CE1-CD2 3.41Å; Y254-L287 VanDerWaalsContact CE1-CD2 3.41Å; Y254-L287 HydrophobicContact CE1-CG 4.05Å; Y254-L287 HydrophobicContact CG-CD1 3.66Å; Y254-L287 HydrophobicContact CG-CD2 4.11Å; Y254-L287 HydrophobicContact CG-CG 3.89Å; N283-L287 PolarHBondContact ND2-O 2.62Å; C285-L287 HydrophobicContact CB-CB 4.46Å; C285-L287 PolarHBondContact O-N 3.04Å; L287-I418 HydrophobicContact CB-CD1 3.96Å; L287-I418 HydrophobicContact CB-CG1 3.67Å; L287-I418 HydrophobicContact CD1-CG1 4.43Å; L287-I418 WeakPolarHBondContact O-CD1 3.45Å
288S92.1Very high95.6Very high41 Ų4129 Ų2929%0.28714%0.136SC..  trans-78.9149.5171.8-52.50000111.8Q325 A326S288-Q325 PolarHBondContact OG-OE1 3.49Å; S288-A326 PolarHBondContact OG-N 2.95Å
289V94.6Very high95.5Very high6 Ų626.4 Ų26.44%0.03612%0.123CC..EExtended strand (participates in β ladder)trans-71130.9170.8175.70000108.9L323 P324 C416V289-L323 HydrophobicContact CB-CB 4.23Å; V289-L323 HydrophobicContact CG1-CB 4.25Å; V289-L323 HydrophobicContact CG1-CD1 4.31Å; V289-L323 HydrophobicContact CG1-CD2 4.26Å; V289-L323 VanDerWaalsContact O-CB 3.32Å; V289-L323 WeakPolarHBondContact O-CB 3.35Å; V289-P324 HydrophobicContact CB-CB 4.39Å; V289-P324 HydrophobicContact CB-CG 4.29Å; V289-P324 HydrophobicContact CG2-CB 4.04Å; V289-P324 HydrophobicContact CG2-CG 4.07Å; V289-P324 PolarHBondContact N-O 3.07Å; V289-C416 WeakPolarHBondContact CG1-SG 3.42Å
290R94.1Very high95.2Very high165 Ų16526.4 Ų26.462%0.62312%0.123SC*.EExtended strand (participates in β ladder)trans-101.1-27.8-172.6-68.2179.962.6-165.32.8114.3L323 W417 G419R290-L323 WeakPolarHBondContact O-CD1 3.48Å; R290-W417 PolarHBondContact N-O 3.28Å; R290-G419 WeakPolarHBondContact CD-O 3.45Å; R290-G419 PolarHBondContact NH1-O 2.78Å
291K96.2Very high94.9Very high60 Ų6027.2 Ų27.226%0.26113%0.125SC..EExtended strand (participates in β ladder)trans-156.4138.9-173.3-172.2-178.1175.3-174.70109L318 L323 W417K291-L318 HydrophobicContact CD-CD1 4.03Å; K291-L318 HydrophobicContact CG-CD1 3.73Å; K291-L323 VanDerWaalsContact N-CD1 3.32Å; K291-W417 HydrophobicContact CB-CB 4.08Å; K291-W417 HydrophobicContact CB-CD2 4.02Å; K291-W417 HydrophobicContact CB-CE3 3.62Å; K291-W417 HydrophobicContact CB-CG 4.26Å; K291-W417 HydrophobicContact CB-CZ3 4.25Å; K291-W417 HydrophobicContact CD-CD2 3.92Å; K291-W417 HydrophobicContact CD-CE3 3.71Å; K291-W417 HydrophobicContact CD-CH2 3.88Å; K291-W417 HydrophobicContact CD-CZ2 4.12Å; K291-W417 HydrophobicContact CD-CZ3 3.69Å; K291-W417 HydrophobicContact CG-CD2 4.22Å; K291-W417 HydrophobicContact CG-CE3 3.62Å; K291-W417 HydrophobicContact CG-CH2 4.4Å; K291-W417 HydrophobicContact CG-CZ3 3.72Å; K291-W417 PolarHBondContact O-N 3.14Å
292L97.5Very high94.5Very high1 Ų127.6 Ų27.61%0.00513%0.127CC..EExtended strand (participates in β ladder)trans-127.3126.4169.2-176.568.6000108.4V279 L281 I294 L318 C319 L323 W331 Y333 V414 C416V279-L292 HydrophobicContact CG1-CD2 4.29Å; L281-L292 HydrophobicContact CD1-CD1 4.47Å; L292-I294 HydrophobicContact CD2-CD1 4.17Å; L292-I294 HydrophobicContact CG-CD1 4.45Å; L292-I294 HydrophobicContact CG-CG1 4.27Å; L292-L318 WeakPolarHBondContact O-CD1 3.31Å; L292-C319 HydrophobicContact CB-CB 4.31Å; L292-C319 PolarHBondContact N-O 3.44Å; L292-C319 PolarHBondContact O-N 2.98Å; L292-L323 HydrophobicContact CB-CD2 3.74Å; L292-W331 HydrophobicContact CD2-CH2 3.72Å; L292-W331 HydrophobicContact CD2-CZ3 3.84Å; L292-Y333 HydrophobicContact CD2-CD1 4.11Å; L292-Y333 HydrophobicContact CD2-CG 4.42Å; L292-V414 HydrophobicContact CD1-CG1 3.68Å; L292-C416 HydrophobicContact CD1-CB 4.29Å
293Q98.1Very high93.9Very high13 Ų1328.8 Ų28.86%0.06113%0.13CC..EExtended strand (participates in β ladder)trans-123.7126.8177.1178.8179.867.900108.5E316 H317 L318 R415 W417Q293-E316 HydrophobicContact CG-CG 4.06Å; Q293-E316 PolarHBondContact NE2-OE1 2.96Å; Q293-E316 PolarHBondContact NE2-OE2 2.82Å; Q293-H317 WeakPolarHBondContact CA-O 3.18Å; Q293-L318 HydrophobicContact CB-CD1 3.88Å; Q293-L318 HydrophobicContact CG-CD1 4.35Å; Q293-R415 HydrophobicContact CB-CB 4.38Å; Q293-R415 PolarHBondContact N-O 2.84Å; Q293-R415 PolarHBondContact O-N 2.7Å; Q293-W417 HydrophobicContact CB-CH2 3.7Å; Q293-W417 HydrophobicContact CB-CZ3 3.52Å
294I98.4Very high93Very high1 Ų130.3 Ų30.31%0.00514%0.139CC..EExtended strand (participates in β ladder)trans-120.4128.6-179.3-55.3170.9000106.4V277 V279 L292 H317 Y333 T335 L337 V412 R413 V414V277-I294 HydrophobicContact CB-CG2 4.2Å; V277-I294 HydrophobicContact CG1-CG2 4.03Å; V277-I294 HydrophobicContact CG2-CG2 4.18Å; V279-I294 HydrophobicContact CG2-CD1 3.81Å; V279-I294 HydrophobicContact CG2-CG1 4.43Å; L292-I294 HydrophobicContact CD2-CD1 4.17Å; L292-I294 HydrophobicContact CG-CD1 4.45Å; L292-I294 HydrophobicContact CG-CG1 4.27Å; I294-H317 PolarHBondContact N-O 3.41Å; I294-H317 PolarHBondContact O-N 2.84Å; I294-Y333 HydrophobicContact CD1-CD1 3.93Å; I294-Y333 HydrophobicContact CD1-CE1 4.04Å; I294-T335 HydrophobicContact CB-CG2 4.22Å; I294-T335 HydrophobicContact CD1-CG2 3.53Å; I294-T335 HydrophobicContact CG1-CG2 4.47Å; I294-T335 HydrophobicContact CG2-CG2 4.02Å; I294-L337 HydrophobicContact CG2-CD1 3.78Å; I294-L337 HydrophobicContact CG2-CD2 4.48Å; I294-L337 HydrophobicContact CG2-CG 4.46Å; I294-V412 HydrophobicContact CG2-CG1 4.12Å; I294-R413 CarbonylContact C-O 3.54Å; I294-R413 WeakPolarHBondContact CA-O 3.35Å; I294-V414 HydrophobicContact CG1-CG1 4.26Å; I294-V414 HydrophobicContact CG1-CG2 4.39Å; I294-V414 HydrophobicContact CG2-CG2 4.25Å
295A97.5Very high91.9Very high0 Ų029.6 Ų29.60%014%0.141CC..EExtended strand (participates in β ladder)trans-148.7143.1-175.100000112.9T313 S315 E316 V412 R413A295-T313 HydrophobicContact CB-CG2 3.84Å; A295-S315 CarbonylContact C-O 3.56Å; A295-S315 WeakPolarHBondContact CA-O 3.32Å; A295-S315 WeakPolarHBondContact CB-O 3.46Å; A295-E316 HydrophobicContact CB-CB 4.3Å; A295-E316 HydrophobicContact CB-CG 4.32Å; A295-V412 CarbonylContact O-C 3.46Å; A295-V412 WeakPolarHBondContact O-CA 3.49Å; A295-R413 PolarHBondContact N-O 2.95Å; A295-R413 PolarHBondContact O-N 2.88Å
296I97.4Very high90.8Very high1 Ų132.3 Ų32.31%0.00516%0.158CC..EExtended strand (participates in β ladder)trans-81.6124.8163.7-63.6-179.9000107.8V275 I314 S315 L337 T339 Y410 V412 F429V275-I296 HydrophobicContact CB-CD1 4.2Å; V275-I296 HydrophobicContact CG2-CD1 3.95Å; I296-I314 HydrophobicContact CB-CB 4.32Å; I296-I314 HydrophobicContact CG2-CB 4.07Å; I296-I314 HydrophobicContact CG2-CG1 4.32Å; I296-I314 PolarHBondContact O-N 3.37Å; I296-S315 PolarHBondContact N-O 2.95Å; I296-L337 HydrophobicContact CD1-CB 3.63Å; I296-L337 HydrophobicContact CD1-CD1 4.36Å; I296-L337 HydrophobicContact CG1-CB 3.81Å; I296-L337 HydrophobicContact CG1-CD1 3.63Å; I296-L337 HydrophobicContact CG1-CG 4.36Å; I296-T339 HydrophobicContact CD1-CG2 3.83Å; I296-Y410 HydrophobicContact CG2-CD1 4.09Å; I296-V412 HydrophobicContact CG1-CG2 4.5Å; I296-F429 HydrophobicContact CD1-CZ 4.35Å; I296-F429 HydrophobicContact CG1-CZ 4.47Å; I296-F429 HydrophobicContact CG2-CE1 4.18Å; I296-F429 HydrophobicContact CG2-CZ 3.84Å
297V95.9Very high90.4Very high0 Ų035.7 Ų35.70%017%0.165CC..EExtended strand (participates in β ladder)trans-116.3122.5177.4-176.70000109.1R311 C312 Y410 F411 R413V297-R311 HydrophobicContact CG1-CB 4.04Å; V297-C312 CarbonylContact C-O 3.55Å; V297-C312 WeakPolarHBondContact CA-O 3.31Å; V297-Y410 WeakPolarHBondContact O-CA 3.48Å; V297-F411 HydrophobicContact CB-CD1 4.49Å; V297-F411 HydrophobicContact CB-CD2 4.18Å; V297-F411 HydrophobicContact CB-CE1 4.13Å; V297-F411 HydrophobicContact CB-CE2 3.78Å; V297-F411 HydrophobicContact CB-CZ 3.74Å; V297-F411 HydrophobicContact CG1-CE1 4.01Å; V297-F411 HydrophobicContact CG1-CE2 4.25Å; V297-F411 HydrophobicContact CG1-CZ 3.71Å; V297-F411 HydrophobicContact CG2-CD2 4.48Å; V297-F411 HydrophobicContact CG2-CE2 3.91Å; V297-F411 HydrophobicContact CG2-CZ 4.2Å; V297-F411 PolarHBondContact N-O 2.91Å; V297-F411 PolarHBondContact O-N 2.77Å; V297-F411 VanDerWaalsContact O-N 3.1Å; V297-R413 HydrophobicContact CG2-CB 4.01Å
298Q96Very high90.1Very high0 Ų035.3 Ų35.30%017%0.168CC..EExtended strand (participates in β ladder)trans-85.1133166.2-175.3-175.35500109R311 C312 I314 A351 I408 Y410Q298-R311 CarbonylContact O-C 3.5Å; Q298-R311 WeakPolarHBondContact O-CA 3.48Å; Q298-C312 PolarHBondContact N-O 2.67Å; Q298-C312 PolarHBondContact O-N 3.38Å; Q298-I314 HydrophobicContact CB-CD1 3.82Å; Q298-I314 HydrophobicContact CB-CG1 3.82Å; Q298-A351 PolarHBondContact NE2-O 3.32Å; Q298-I408 HydrophobicContact CG-CG2 4.13Å; Q298-Y410 HydrophobicContact CB-CD1 4.03Å; Q298-Y410 HydrophobicContact CB-CE1 3.6Å; Q298-Y410 HydrophobicContact CG-CD1 4.38Å; Q298-Y410 HydrophobicContact CG-CE1 3.72Å; Q298-Y410 HydrophobicContact CG-CE2 4.43Å; Q298-Y410 PolarHBondContact NE2-OH 3.48Å
299V95Very high89.9Confident5 Ų537.1 Ų37.13%0.0318%0.177CC..EExtended strand (participates in β ladder)trans-113.6123.6174.1-170.90000108.6E301 T309 Y310 R311 I408 S409 F411V299-E301 HydrophobicContact CG1-CG 4.11Å; V299-T309 HydrophobicContact CG1-CG2 3.51Å; V299-Y310 WeakPolarHBondContact CA-O 3.45Å; V299-R311 HydrophobicContact CG1-CG 4.41Å; V299-R311 HydrophobicContact CG2-CG 4.35Å; V299-I408 WeakPolarHBondContact O-CA 3.41Å; V299-S409 PolarHBondContact N-O 2.75Å; V299-S409 PolarHBondContact O-N 2.77Å; V299-F411 HydrophobicContact CG2-CD1 3.72Å; V299-F411 HydrophobicContact CG2-CE1 3.3Å; V299-F411 HydrophobicContact CG2-CZ 4.41Å
300T92.9Very high89.6Confident0 Ų041.5 Ų41.50%019%0.194CC..EExtended strand (participates in β ladder)trans-114.1106.9177.8-56.90000108.2I185 T309 Y310 A351 V406 I408I185-T300 HydrophobicContact CD1-CG2 3.64Å; I185-T300 HydrophobicContact CG1-CG2 4.31Å; T300-T309 CarbonylContact O-C 3.49Å; T300-T309 WeakPolarHBondContact O-CA 3.27Å; T300-Y310 PolarHBondContact N-O 2.87Å; T300-Y310 PolarHBondContact O-N 3.44Å; T300-A351 HydrophobicContact CG2-CB 4.41Å; T300-V406 HydrophobicContact CG2-CG1 3.76Å; T300-I408 HydrophobicContact CG2-CD1 3.7Å; T300-I408 WeakPolarHBondContact OG1-CD1 3.45Å
301E91.5Very high89.5Confident40 Ų4040.8 Ų40.819%0.18719%0.191CC..EExtended strand (participates in β ladder)trans-98.8126.7175.5-57.2-175.9124.800109.9V299 Y303 G308 T309 K401 V406 V407V299-E301 HydrophobicContact CG1-CG 4.11Å; E301-Y303 HydrophobicContact CB-CD2 4.32Å; E301-Y303 HydrophobicContact CB-CE2 3.51Å; E301-Y303 PolarHBondContact OE2-OH 2.79Å; E301-G308 CarbonylContact C-O 3.58Å; E301-G308 WeakPolarHBondContact CA-O 3.44Å; E301-T309 HydrophobicContact CG-CG2 4.09Å; E301-K401 IonicContact OE1-NZ 2.91Å; E301-K401 IonicContact OE2-NZ 2.93Å; E301-K401 PolarHBondContact OE2-NZ 3.4Å; E301-V406 CarbonylContact O-C 3.56Å; E301-V406 WeakPolarHBondContact O-CA 3.15Å; E301-V407 HydrophobicContact CB-CB 4.3Å; E301-V407 PolarHBondContact N-O 3.37Å; E301-V407 PolarHBondContact O-N 2.93Å
302M88.2Confident89.3Confident8 Ų838.7 Ų38.74%0.03918%0.184CC..EExtended strand (participates in β ladder)trans-105139.4177.9-59.2178111.400110.2Y65 F67 I185 R307 G308 Y310 G405Y65-M302 WeakPolarHBondContact OH-CE 3.19Å; F67-M302 HydrophobicContact CD2-CE 3.82Å; F67-M302 HydrophobicContact CD2-SD 4.25Å; F67-M302 HydrophobicContact CE2-CE 4.29Å; F67-M302 HydrophobicContact CE2-SD 4.18Å; I185-M302 HydrophobicContact CD1-CE 3.89Å; M302-R307 WeakPolarHBondContact O-CA 3.48Å; M302-G308 PolarHBondContact N-O 2.93Å; M302-G308 PolarHBondContact O-N 2.87Å; M302-Y310 HydrophobicContact SD-CD2 4.23Å; M302-Y310 HydrophobicContact SD-CE2 3.65Å; M302-G405 CarbonylContact C-O 3.57Å; M302-G405 WeakPolarHBondContact CA-O 3.35Å
303Y84.8Confident89.1Confident42 Ų4240.7 Ų40.717%0.16520%0.196CC..  trans-128.2-13.8-172.4-75.9-86.6000116E301 K401 E402 G405 V407E301-Y303 HydrophobicContact CB-CD2 4.32Å; E301-Y303 HydrophobicContact CB-CE2 3.51Å; E301-Y303 PolarHBondContact OE2-OH 2.79Å; Y303-K401 HydrophobicContact CD1-CB 4.2Å; Y303-K401 HydrophobicContact CD2-CB 3.92Å; Y303-K401 HydrophobicContact CE1-CB 4.1Å; Y303-K401 HydrophobicContact CE1-CD 4.12Å; Y303-K401 HydrophobicContact CE2-CB 3.79Å; Y303-K401 HydrophobicContact CE2-CD 3.62Å; Y303-K401 HydrophobicContact CE2-CG 4.26Å; Y303-K401 HydrophobicContact CG-CB 4.13Å; Y303-K401 WeakPolarHBondContact OH-CD 3.29Å; Y303-K401 PolarHBondContact OH-NZ 2.76Å; Y303-E402 HydrophobicContact CD1-CG 4.22Å; Y303-G405 PolarHBondContact N-O 2.95Å; Y303-V407 HydrophobicContact CD2-CG2 4.04Å; Y303-V407 HydrophobicContact CE2-CB 4.24Å; Y303-V407 HydrophobicContact CE2-CG2 3.9Å
304L75.9Confident88.9Confident33 Ų3340.6 Ų40.617%0.17320%0.196CC..SBendtrans-85.9-44.1-163.6-134.678.4000115.7Y65 K81 L83 E402Y65-L304 HydrophobicContact CD1-CB 3.93Å; Y65-L304 HydrophobicContact CD1-CD2 3.52Å; Y65-L304 HydrophobicContact CD1-CG 4.38Å; Y65-L304 HydrophobicContact CD2-CD2 4.31Å; Y65-L304 HydrophobicContact CE1-CB 3.65Å; Y65-L304 HydrophobicContact CE1-CD2 4.15Å; Y65-L304 HydrophobicContact CE2-CB 4.38Å; Y65-L304 HydrophobicContact CG-CB 4.39Å; Y65-L304 HydrophobicContact CG-CD2 3.6Å; K81-L304 HydrophobicContact CB-CD2 3.96Å; K81-L304 HydrophobicContact CD-CD2 3.62Å; K81-L304 HydrophobicContact CD-CG 4.23Å; K81-L304 HydrophobicContact CG-CD2 4.06Å; L83-L304 HydrophobicContact CD2-CD1 4.48Å; L83-L304 HydrophobicContact CD2-CD2 3.67Å; L304-E402 WeakPolarHBondContact CD1-O 3.28Å
305L71.6Confident88.7Confident88 Ų8841.8 Ų41.846%0.46121%0.205SC..SBendtrans-122-56-173.9-89.5150.6000110.8Y65 F67Y65-L305 HydrophobicContact CD1-CD1 4.35Å; Y65-L305 HydrophobicContact CE1-CD1 4.16Å; F67-L305 HydrophobicContact CB-CD1 3.99Å; F67-L305 HydrophobicContact CD1-CB 4.22Å; F67-L305 HydrophobicContact CG-CB 4.42Å
306T68.7Low88.5Confident62 Ų6246.6 Ų46.638%0.3823%0.227SC..SBendtrans-118.1130.3169.659.30000108.3F67 G308F67-T306 HydrophobicContact CE1-CG2 3.75Å; F67-T306 WeakPolarHBondContact CE1-OG1 3.2Å; F67-T306 WeakPolarHBondContact CE2-OG1 3.18Å; F67-T306 HydrophobicContact CZ-CG2 3.81Å; F67-T306 WeakPolarHBondContact CZ-OG1 3.48Å; T306-G308 PolarHBondContact O-N 2.94Å
307R80.9Confident88.5Confident153 Ų15349.4 Ų49.458%0.57724%0.24SC*.  trans-76.1124170.8-73.7-172.6177.7163.95.4108.6M302 K398 E402M302-R307 WeakPolarHBondContact O-CA 3.48Å; R307-K398 VanDerWaalsContact NH2-CE 3.29Å; R307-E402 IonicContact CZ-OE1 3.74Å; R307-E402 IonicContact NH2-OE1 3.13Å; R307-E402 PolarHBondContact NH2-OE1 3.11Å
308G84.5Confident88.6Confident23 Ų2352.7 Ų52.724%0.23726%0.257CS..EExtended strand (participates in β ladder)trans-153.6152.4-178.900000111.1E301 M302 T306E301-G308 CarbonylContact C-O 3.58Å; E301-G308 WeakPolarHBondContact CA-O 3.44Å; M302-G308 PolarHBondContact N-O 2.93Å; M302-G308 PolarHBondContact O-N 2.87Å; T306-G308 PolarHBondContact O-N 2.94Å
309T89Confident88.6Confident78 Ų7853.2 Ų53.248%0.47926%0.261SS..EExtended strand (participates in β ladder)trans-128.6118.4176.1-54.70000109V299 T300 E301V299-T309 HydrophobicContact CG1-CG2 3.51Å; T300-T309 CarbonylContact O-C 3.49Å; T300-T309 WeakPolarHBondContact O-CA 3.27Å; E301-T309 HydrophobicContact CG-CG2 4.09Å
310Y87.5Confident88.6Confident98 Ų9859.7 Ų59.738%0.38429%0.289SS..EExtended strand (participates in β ladder)trans-102.5140.4173.2-62-87.1000109.6V299 T300 M302V299-Y310 WeakPolarHBondContact CA-O 3.45Å; T300-Y310 PolarHBondContact N-O 2.87Å; T300-Y310 PolarHBondContact O-N 3.44Å; M302-Y310 HydrophobicContact SD-CD2 4.23Å; M302-Y310 HydrophobicContact SD-CE2 3.65Å
311R92Very high88.6Confident151 Ų15166.9 Ų66.957%0.5732%0.322SS*.EExtended strand (participates in β ladder)trans-124.9110.7177.4-68-174.4177.3179.8-1.6109.4V297 Q298 V299V297-R311 HydrophobicContact CG1-CB 4.04Å; Q298-R311 CarbonylContact O-C 3.5Å; Q298-R311 WeakPolarHBondContact O-CA 3.48Å; V299-R311 HydrophobicContact CG1-CG 4.41Å; V299-R311 HydrophobicContact CG2-CG 4.35Å
312C91.9Very high88.7Confident15 Ų1571.8 Ų71.810%0.10135%0.35CS..EExtended strand (participates in β ladder)trans-110.6131.8-179.1-64.70000110.3V297 Q298 Q348 G349 V350V297-C312 CarbonylContact C-O 3.55Å; V297-C312 WeakPolarHBondContact CA-O 3.31Å; Q298-C312 PolarHBondContact N-O 2.67Å; Q298-C312 PolarHBondContact O-N 3.38Å; C312-Q348 PolarHBondContact SG-O 2.93Å; C312-Q348 VanDerWaalsContact SG-O 3.38Å; C312-G349 PolarHBondContact SG-O 2.91Å; C312-V350 HydrophobicContact CB-CG2 3.69Å
313T93.1Very high89Confident44 Ų4471.8 Ų71.827%0.2735%0.35SS..EExtended strand (participates in β ladder)trans-86.1114175.9-600000108.3A295 E316A295-T313 HydrophobicContact CB-CG2 3.84Å; T313-E316 HydrophobicContact CG2-CB 3.89Å
314I93.8Very high89.4Confident10 Ų1069.8 Ų69.85%0.05134%0.342CS..EExtended strand (participates in β ladder)trans-83.6-53-174.7-58.4-53.1000110.3I296 Q298 I345 V350 L363 Y410I296-I314 HydrophobicContact CB-CB 4.32Å; I296-I314 HydrophobicContact CG2-CB 4.07Å; I296-I314 HydrophobicContact CG2-CG1 4.32Å; I296-I314 PolarHBondContact O-N 3.37Å; Q298-I314 HydrophobicContact CB-CD1 3.82Å; Q298-I314 HydrophobicContact CB-CG1 3.82Å; I314-I345 HydrophobicContact CD1-CG2 4.22Å; I314-I345 HydrophobicContact CG2-CD1 4.36Å; I314-V350 HydrophobicContact CD1-CG1 4.11Å; I314-V350 HydrophobicContact CD1-CG2 4.22Å; I314-L363 HydrophobicContact CD1-CD1 4.46Å; I314-L363 HydrophobicContact CD1-CD2 4.09Å; I314-L363 HydrophobicContact CG1-CD1 4.35Å; I314-L363 HydrophobicContact CG2-CD1 3.5Å; I314-Y410 HydrophobicContact CG1-CE1 4.39Å
315S94.2Very high90.3Very high27 Ų2773.3 Ų73.319%0.18936%0.358CS..EExtended strand (participates in β ladder)trans-132.1141.3176.3-175.20000108.7A295 I296 D338A295-S315 CarbonylContact C-O 3.56Å; A295-S315 WeakPolarHBondContact CA-O 3.32Å; A295-S315 WeakPolarHBondContact CB-O 3.46Å; I296-S315 PolarHBondContact N-O 2.95Å; S315-D338 WeakPolarHBondContact CB-O 3.39Å; S315-D338 PolarHBondContact OG-N 3.03Å
316E94.4Very high91.3Very high100 Ų10071.5 Ų71.547%0.46736%0.355SS..EExtended strand (participates in β ladder)trans-139.5132.8-177.7-177.8172.1-99.900110.2Q293 A295 T313Q293-E316 HydrophobicContact CG-CG 4.06Å; Q293-E316 PolarHBondContact NE2-OE1 2.96Å; Q293-E316 PolarHBondContact NE2-OE2 2.82Å; A295-E316 HydrophobicContact CB-CB 4.3Å; A295-E316 HydrophobicContact CB-CG 4.32Å; T313-E316 HydrophobicContact CG2-CB 3.89Å
317H96.6Very high92.4Very high60 Ų6070.7 Ų70.728%0.27836%0.36SS..EExtended strand (participates in β ladder)trans-121.8132.8171.4-175.657.3000110.2Q293 I294 Y333 T335 L337Q293-H317 WeakPolarHBondContact CA-O 3.18Å; I294-H317 PolarHBondContact N-O 3.41Å; I294-H317 PolarHBondContact O-N 2.84Å; H317-Y333 AromaticContact CD2-CE1 3.95Å; H317-Y333 AromaticContact NE2-CE1 3.91Å; H317-Y333 AromaticContact NE2-CZ 3.75Å; H317-Y333 PolarHBondContact NE2-OH 3.23Å; H317-T335 HydrophobicContact CB-CG2 4.47Å; H317-T335 PolarHBondContact CD2-OG1 3.43Å; H317-L337 HydrophobicContact CB-CD2 3.89Å
318L97.3Very high93.1Very high69 Ų6966.9 Ų66.936%0.36135%0.348SS..EExtended strand (participates in β ladder)trans-124118-175.8-177.767.1000111.6K291 L292 Q293K291-L318 HydrophobicContact CD-CD1 4.03Å; K291-L318 HydrophobicContact CG-CD1 3.73Å; L292-L318 WeakPolarHBondContact O-CD1 3.31Å; Q293-L318 HydrophobicContact CB-CD1 3.88Å; Q293-L318 HydrophobicContact CG-CD1 4.35Å
319C96.4Very high93.6Very high12 Ų1271.2 Ų71.28%0.08136%0.362CS..EExtended strand (participates in β ladder)trans-109.5131.8176.4-175.70000111.1L292 E321 Y333L292-C319 HydrophobicContact CB-CB 4.31Å; L292-C319 PolarHBondContact N-O 3.44Å; L292-C319 PolarHBondContact O-N 2.98Å; C319-E321 PolarHBondContact SG-O 2.88Å; C319-Y333 HydrophobicContact CB-CE1 4.37Å; C319-Y333 HydrophobicContact CB-CE2 4.42Å
320K95.8Very high93.9Very high141 Ų14172.9 Ų72.961%0.61337%0.365SS*.  trans-127.5-6.1176.8-67.9-179.2-177.9172.60113.2
321E93.3Very high94.3Very high151 Ų15169.5 Ų69.571%0.70635%0.351SS*.SBendtrans-115.3153.3-173.3-63.2-178.9-177.900109.8C319 L323C319-E321 PolarHBondContact SG-O 2.88Å; E321-L323 PolarHBondContact O-N 3.07Å; E321-L323 VanDerWaalsContact O-N 3.15Å
322N93.1Very high94.5Very high143 Ų14368.9 Ų68.977%0.76535%0.353SS*.SBendtrans52.635.3178.7-55.6-37.2000114.1W331N322-W331 VanDerWaalsContact O-CE2 3.32Å; N322-W331 VanDerWaalsContact O-CZ2 3.3Å; N322-W331 WeakPolarHBondContact O-CZ2 3.28Å; N322-W331 PolarHBondContact O-NE1 3.24Å
323L94.7Very high94.8Very high8 Ų870.8 Ų70.84%0.04236%0.358CS..PPolyproline II helixtrans-81.8155.6179-68.3171000111.5V289 R290 K291 L292 E321 Q325 W331V289-L323 HydrophobicContact CB-CB 4.23Å; V289-L323 HydrophobicContact CG1-CB 4.25Å; V289-L323 HydrophobicContact CG1-CD1 4.31Å; V289-L323 HydrophobicContact CG1-CD2 4.26Å; V289-L323 VanDerWaalsContact O-CB 3.32Å; V289-L323 WeakPolarHBondContact O-CB 3.35Å; R290-L323 WeakPolarHBondContact O-CD1 3.48Å; K291-L323 VanDerWaalsContact N-CD1 3.32Å; L292-L323 HydrophobicContact CB-CD2 3.74Å; E321-L323 PolarHBondContact O-N 3.07Å; E321-L323 VanDerWaalsContact O-N 3.15Å; L323-Q325 PolarHBondContact O-N 3.26Å; L323-Q325 PolarHBondContact O-NE2 2.94Å; L323-W331 HydrophobicContact CD2-CH2 4.07Å; L323-W331 HydrophobicContact CD2-CZ2 4.2Å
324P93.6Very high95Very high0 Ų073.1 Ų73.10%037%0.372CS..PPolyproline II helixtrans-53.7125.5-177.6-21.825.1000112.8L281 N283 V289 E328 W331L281-P324 HydrophobicContact CB-CG 3.84Å; L281-P324 HydrophobicContact CD1-CG 3.87Å; L281-P324 HydrophobicContact CG-CG 4.46Å; N283-P324 HydrophobicContact CB-CB 4.19Å; V289-P324 HydrophobicContact CB-CB 4.39Å; V289-P324 HydrophobicContact CB-CG 4.29Å; V289-P324 HydrophobicContact CG2-CB 4.04Å; V289-P324 HydrophobicContact CG2-CG 4.07Å; V289-P324 PolarHBondContact N-O 3.07Å; P324-E328 WeakPolarHBondContact CA-OE2 3.24Å; P324-W331 HydrophobicContact CB-CB 4.3Å; P324-W331 HydrophobicContact CB-CG 4.3Å; P324-W331 HydrophobicContact CG-CB 3.85Å; P324-W331 HydrophobicContact CG-CD2 3.56Å; P324-W331 HydrophobicContact CG-CE3 3.82Å; P324-W331 HydrophobicContact CG-CG 3.59Å; P324-W331 HydrophobicContact CG-CZ3 4.45Å
325Q94.1Very high95.2Very high107 Ų10773.5 Ų73.550%0.538%0.375SS..PPolyproline II helixtrans-77.2167.9171.3-60.6-53.6-4900111.1N283 S288 L323 G327 E328N283-Q325 PolarHBondContact ND2-O 3.45Å; S288-Q325 PolarHBondContact OG-OE1 3.49Å; L323-Q325 PolarHBondContact O-N 3.26Å; L323-Q325 PolarHBondContact O-NE2 2.94Å; Q325-G327 PolarHBondContact O-N 3.2Å; Q325-E328 PolarHBondContact N-OE2 3.29Å; Q325-E328 WeakPolarHBondContact O-CB 3.49Å; Q325-E328 PolarHBondContact O-N 2.83Å
326A92.3Very high95.3Very high49 Ų4974.8 Ų74.841%0.40539%0.387SS..THydrogen-bonded Turntrans-55.6127.9174.900000111.1C285 S288 E328C285-A326 WeakPolarHBondContact O-CA 3.33Å; S288-A326 PolarHBondContact OG-N 2.95Å; A326-E328 VanDerWaalsContact C-N 3.3Å; A326-E328 PolarHBondContact O-N 2.8Å
327G92Very high95.4Very high46 Ų4670.2 Ų70.247%0.47437%0.366SS..THydrogen-bonded Turntrans80.7-4-179.600000116N283 C285 Q325N283-G327 CarbonylContact O-C 3.54Å; N283-G327 VanDerWaalsContact O-C 3.27Å; N283-G327 WeakPolarHBondContact O-CA 3.17Å; N283-G327 PolarHBondContact O-N 2.85Å; C285-G327 PolarHBondContact O-N 2.87Å; Q325-G327 PolarHBondContact O-N 3.2Å
328E94.7Very high95.3Very high73 Ų7370.5 Ų70.534%0.34137%0.37SS..  trans-72.8137.8-179.1-169.3174.8174.200111.9N283 P324 Q325 A326N283-E328 WeakPolarHBondContact CA-O 3.12Å; N283-E328 PolarHBondContact N-O 2.83Å; N283-E328 PolarHBondContact O-N 2.87Å; P324-E328 WeakPolarHBondContact CA-OE2 3.24Å; Q325-E328 PolarHBondContact N-OE2 3.29Å; Q325-E328 WeakPolarHBondContact O-CB 3.49Å; Q325-E328 PolarHBondContact O-N 2.83Å; A326-E328 VanDerWaalsContact C-N 3.3Å; A326-E328 PolarHBondContact O-N 2.8Å
329Q94.8Very high95.1Very high113 Ų11367.3 Ų67.353%0.52835%0.353SS..  trans-123.9156-177.7-63.7174.128.200110.7Y284 W331Y284-Q329 HydrophobicContact CD1-CG 4.48Å; Y284-Q329 HydrophobicContact CE1-CG 3.86Å; Q329-W331 PolarHBondContact O-N 3.37Å
330Q95.4Very high94.8Very high113 Ų11367.8 Ų67.853%0.52836%0.356SS..SBendtrans54.831.9177.9-62.1-64.5-61.700113.2L281 D282 K332L281-Q330 PolarHBondContact O-N 3.11Å; D282-Q330 PolarHBondContact OD1-N 3.38Å; D282-Q330 PolarHBondContact OD1-NE2 3.04Å; D282-Q330 PolarHBondContact OD2-NE2 2.99Å; Q330-K332 PolarHBondContact O-N 2.93Å
331W96.8Very high94.2Very high27 Ų2762.7 Ų62.710%0.10234%0.335CS..EExtended strand (participates in β ladder)trans-68.1127.3173.2179.993.1000109V279 V280 L281 L292 N322 L323 P324 Q329 Y333V279-W331 HydrophobicContact CG1-CZ3 4.35Å; V280-W331 CarbonylContact C-O 3.59Å; V280-W331 VanDerWaalsContact CA-O 3.29Å; V280-W331 WeakPolarHBondContact CA-O 3.22Å; L281-W331 HydrophobicContact CB-CB 4.45Å; L281-W331 HydrophobicContact CB-CE3 3.98Å; L281-W331 HydrophobicContact CD1-CE3 3.85Å; L281-W331 HydrophobicContact CD1-CZ3 3.75Å; L281-W331 HydrophobicContact CG-CE3 4.35Å; L281-W331 PolarHBondContact N-O 3.35Å; L281-W331 PolarHBondContact O-N 2.99Å; L281-W331 VanDerWaalsContact O-N 3.08Å; L292-W331 HydrophobicContact CD2-CH2 3.72Å; L292-W331 HydrophobicContact CD2-CZ3 3.84Å; N322-W331 VanDerWaalsContact O-CE2 3.32Å; N322-W331 VanDerWaalsContact O-CZ2 3.3Å; N322-W331 WeakPolarHBondContact O-CZ2 3.28Å; N322-W331 PolarHBondContact O-NE1 3.24Å; L323-W331 HydrophobicContact CD2-CH2 4.07Å; L323-W331 HydrophobicContact CD2-CZ2 4.2Å; P324-W331 HydrophobicContact CB-CB 4.3Å; P324-W331 HydrophobicContact CB-CG 4.3Å; P324-W331 HydrophobicContact CG-CB 3.85Å; P324-W331 HydrophobicContact CG-CD2 3.56Å; P324-W331 HydrophobicContact CG-CE3 3.82Å; P324-W331 HydrophobicContact CG-CG 3.59Å; P324-W331 HydrophobicContact CG-CZ3 4.45Å; Q329-W331 PolarHBondContact O-N 3.37Å; W331-Y333 AromaticContact CH2-CD2 3.75Å; W331-Y333 HydrophobicContact CH2-CD2 3.75Å; W331-Y333 AromaticContact CH2-CG 3.61Å; W331-Y333 HydrophobicContact CH2-CG 3.61Å; W331-Y333 AromaticContact CZ2-CD2 3.91Å; W331-Y333 HydrophobicContact CZ2-CD2 3.91Å; W331-Y333 HydrophobicContact CZ2-CG 4.22Å; W331-Y333 HydrophobicContact CZ3-CG 4.14Å
332K97.1Very high93.5Very high139 Ų13958.2 Ų58.260%0.60432%0.317SS*.EExtended strand (participates in β ladder)trans-117.1139.2-175.9-65.2-176.4-177.6178.80110.8V279 V280 Q330V279-K332 CarbonylContact O-C 3.27Å; V279-K332 WeakPolarHBondContact O-CA 3.39Å; V280-K332 HydrophobicContact CG2-CG 4.34Å; Q330-K332 PolarHBondContact O-N 2.93Å
333Y97.1Very high92.3Very high55 Ų5557.5 Ų57.522%0.21631%0.314CS..EExtended strand (participates in β ladder)trans-143.4134.2175.8-170.8-95.7000110.4V279 L292 I294 H317 C319 W331V279-Y333 PolarHBondContact N-O 2.65Å; V279-Y333 PolarHBondContact O-N 3.39Å; L292-Y333 HydrophobicContact CD2-CD1 4.11Å; L292-Y333 HydrophobicContact CD2-CG 4.42Å; I294-Y333 HydrophobicContact CD1-CD1 3.93Å; I294-Y333 HydrophobicContact CD1-CE1 4.04Å; H317-Y333 AromaticContact CD2-CE1 3.95Å; H317-Y333 AromaticContact NE2-CE1 3.91Å; H317-Y333 AromaticContact NE2-CZ 3.75Å; H317-Y333 PolarHBondContact NE2-OH 3.23Å; C319-Y333 HydrophobicContact CB-CE1 4.37Å; C319-Y333 HydrophobicContact CB-CE2 4.42Å; W331-Y333 AromaticContact CH2-CD2 3.75Å; W331-Y333 HydrophobicContact CH2-CD2 3.75Å; W331-Y333 AromaticContact CH2-CG 3.61Å; W331-Y333 HydrophobicContact CH2-CG 3.61Å; W331-Y333 AromaticContact CZ2-CD2 3.91Å; W331-Y333 HydrophobicContact CZ2-CD2 3.91Å; W331-Y333 HydrophobicContact CZ2-CG 4.22Å; W331-Y333 HydrophobicContact CZ3-CG 4.14Å
334T97.1Very high90.9Very high93 Ų9361.6 Ų61.657%0.57134%0.343SS*.EExtended strand (participates in β ladder)trans-124.2138.4179.3-51.90000109.1V277V277-T334 WeakPolarHBondContact O-CA 3.49Å
335T97.6Very high89.6Confident17 Ų1762.5 Ų62.510%0.10435%0.347CS..EExtended strand (participates in β ladder)trans-144.9149.9172.2-168.50000110V277 I294 H317V277-T335 HydrophobicContact CB-CG2 4.33Å; V277-T335 PolarHBondContact N-O 2.92Å; V277-T335 PolarHBondContact O-N 3.35Å; I294-T335 HydrophobicContact CB-CG2 4.22Å; I294-T335 HydrophobicContact CD1-CG2 3.53Å; I294-T335 HydrophobicContact CG1-CG2 4.47Å; I294-T335 HydrophobicContact CG2-CG2 4.02Å; H317-T335 HydrophobicContact CB-CG2 4.47Å; H317-T335 PolarHBondContact CD2-OG1 3.43Å
336A97.4Very high88.1Confident54 Ų5459.9 Ų59.945%0.44634%0.337SS..EExtended strand (participates in β ladder)trans-93.5143.4167.300000109.7D276D276-A336 WeakPolarHBondContact OD1-CA 3.28Å; D276-A336 WeakPolarHBondContact OD1-CB 3.28Å
337L96.9Very high86.8Confident4 Ų463.8 Ų63.82%0.02135%0.345CS..EExtended strand (participates in β ladder)trans-121.3144.6170.8-60.1169.7000109.3S274 V275 V277 I294 I296 H317 V412S274-L337 CarbonylContact C-O 3.56Å; S274-L337 VanDerWaalsContact CA-O 3.31Å; S274-L337 WeakPolarHBondContact CA-O 3.46Å; V275-L337 PolarHBondContact N-O 3.15Å; V275-L337 PolarHBondContact O-N 2.88Å; V277-L337 HydrophobicContact CG2-CD1 3.8Å; V277-L337 HydrophobicContact CG2-CG 4.36Å; I294-L337 HydrophobicContact CG2-CD1 3.78Å; I294-L337 HydrophobicContact CG2-CD2 4.48Å; I294-L337 HydrophobicContact CG2-CG 4.46Å; I296-L337 HydrophobicContact CD1-CB 3.63Å; I296-L337 HydrophobicContact CD1-CD1 4.36Å; I296-L337 HydrophobicContact CG1-CB 3.81Å; I296-L337 HydrophobicContact CG1-CD1 3.63Å; I296-L337 HydrophobicContact CG1-CG 4.36Å; H317-L337 HydrophobicContact CB-CD2 3.89Å; L337-V412 HydrophobicContact CD1-CG1 4.33Å
338D92.9Very high85.8Confident67 Ų6766.2 Ų66.236%0.35834%0.343SS..EExtended strand (participates in β ladder)trans-94.3139.8-178-166.82.6000111.7S315 S340S315-D338 WeakPolarHBondContact CB-O 3.39Å; S315-D338 PolarHBondContact OG-N 3.03Å; D338-S340 VanDerWaalsContact CG-OG 3.23Å; D338-S340 WeakPolarHBondContact OD1-CB 3.05Å; D338-S340 PolarHBondContact OD1-N 3.37Å; D338-S340 PolarHBondContact OD1-OG 3.36Å; D338-S340 WeakPolarHBondContact OD2-CB 3.34Å; D338-S340 PolarHBondContact OD2-OG 2.68Å
339T94.2Very high85Confident1 Ų163 Ų631%0.00633%0.33CS..  trans-102.4-0.9173.363.80000112.8D272 E273 V275 I296 L363 L431D272-T339 PolarHBondContact N-OG1 3.47Å; D272-T339 VanDerWaalsContact N-OG1 3.15Å; E273-T339 PolarHBondContact N-OG1 3.25Å; E273-T339 WeakPolarHBondContact O-CB 3.46Å; E273-T339 VanDerWaalsContact O-CG2 3.31Å; E273-T339 WeakPolarHBondContact O-CG2 3.48Å; E273-T339 PolarHBondContact O-OG1 3.49Å; V275-T339 HydrophobicContact CG2-CG2 3.79Å; I296-T339 HydrophobicContact CD1-CG2 3.83Å; T339-L363 WeakPolarHBondContact O-CD1 3.47Å; T339-L431 HydrophobicContact CG2-CD1 4.01Å
340S89.6Confident84.7Confident22 Ų2257.7 Ų57.715%0.15431%0.305CS..  trans-64.5143.2179.778.50000112.1D338 I345D338-S340 VanDerWaalsContact CG-OG 3.23Å; D338-S340 WeakPolarHBondContact OD1-CB 3.05Å; D338-S340 PolarHBondContact OD1-N 3.37Å; D338-S340 PolarHBondContact OD1-OG 3.36Å; D338-S340 WeakPolarHBondContact OD2-CB 3.34Å; D338-S340 PolarHBondContact OD2-OG 2.68Å; S340-I345 WeakPolarHBondContact O-CD1 3.44Å
341F82.5Confident84.5Confident35 Ų3552.3 Ų52.315%0.15428%0.28CS..  trans-85.4117.9170.2173.7-107.3000109.6L346 L352 N361 L363F341-L346 HydrophobicContact CE2-CG 4.19Å; F341-L346 HydrophobicContact CZ-CD1 4.11Å; F341-L346 HydrophobicContact CZ-CD2 4.27Å; F341-L346 HydrophobicContact CZ-CG 3.84Å; F341-L352 HydrophobicContact CD2-CD2 3.62Å; F341-L352 HydrophobicContact CE2-CD1 4.38Å; F341-L352 HydrophobicContact CE2-CD2 3.49Å; F341-L352 VanDerWaalsContact CE2-CD2 3.49Å; F341-L352 HydrophobicContact CG-CD2 4.28Å; F341-L352 HydrophobicContact CZ-CD1 4.18Å; F341-L352 HydrophobicContact CZ-CD2 4.05Å; F341-N361 HydrophobicContact CD1-CB 4.06Å; F341-N361 WeakPolarHBondContact CD1-O 3.08Å; F341-N361 HydrophobicContact CE1-CB 3.93Å; F341-L363 HydrophobicContact CB-CD2 4.34Å; F341-L363 HydrophobicContact CB-CG 4.25Å; F341-L363 HydrophobicContact CD2-CD2 4.05Å
342T79.3Confident84.4Confident56 Ų5651.2 Ų51.234%0.34428%0.276SS..  trans-117.6152.1172.754.40000110.2S344 I345T342-S344 PolarHBondContact O-N 3.32Å; T342-S344 PolarHBondContact OG1-OG 2.68Å; T342-I345 WeakPolarHBondContact O-CA 3.12Å; T342-I345 WeakPolarHBondContact O-CB 3.07Å; T342-I345 PolarHBondContact O-N 2.81Å; T342-I345 VanDerWaalsContact OG1-CD1 3.3Å; T342-I345 WeakPolarHBondContact OG1-CD1 3.13Å; T342-I345 WeakPolarHBondContact OG1-CG1 3.43Å
343D69.1Low84.1Confident129 Ų12944.7 Ų44.769%0.6925%0.248SC*.G310 helixtrans-58.9-22.9179.1-67.3-33.3000112.7I345 L346D343-I345 PolarHBondContact O-N 2.86Å; D343-L346 HydrophobicContact CB-CD1 4.25Å; D343-L346 WeakPolarHBondContact O-CB 3.39Å; D343-L346 PolarHBondContact O-N 3.36Å
344S64.3Low83.8Confident93 Ų9342.4 Ų42.465%0.6524%0.241SC*.G310 helixtrans-67.1-17.2172.458.60000114.5T342T342-S344 PolarHBondContact O-N 3.32Å; T342-S344 PolarHBondContact OG1-OG 2.68Å
345I65.4Low83.3Confident19 Ų1942.3 Ų42.310%0.09723%0.231CC..G310 helixtrans-93.81.2177-55.1166.4000110.7I314 S340 T342 D343 K347 V350I314-I345 HydrophobicContact CD1-CG2 4.22Å; I314-I345 HydrophobicContact CG2-CD1 4.36Å; S340-I345 WeakPolarHBondContact O-CD1 3.44Å; T342-I345 WeakPolarHBondContact O-CA 3.12Å; T342-I345 WeakPolarHBondContact O-CB 3.07Å; T342-I345 PolarHBondContact O-N 2.81Å; T342-I345 VanDerWaalsContact OG1-CD1 3.3Å; T342-I345 WeakPolarHBondContact OG1-CD1 3.13Å; T342-I345 WeakPolarHBondContact OG1-CG1 3.43Å; D343-I345 PolarHBondContact O-N 2.86Å; I345-K347 PolarHBondContact O-N 3.32Å; I345-V350 HydrophobicContact CG2-CG1 4.4Å; I345-V350 HydrophobicContact CG2-CG2 4.13Å; I345-V350 WeakPolarHBondContact O-CG2 3.37Å
346L63.3Low82.7Confident53 Ų5341.6 Ų41.628%0.27723%0.226SC..  trans-67.847.6167.9-84.1153.5000112.2Q186 F341 D343Q186-L346 HydrophobicContact CG-CD2 4.18Å; F341-L346 HydrophobicContact CE2-CG 4.19Å; F341-L346 HydrophobicContact CZ-CD1 4.11Å; F341-L346 HydrophobicContact CZ-CD2 4.27Å; F341-L346 HydrophobicContact CZ-CG 3.84Å; D343-L346 HydrophobicContact CB-CD1 4.25Å; D343-L346 WeakPolarHBondContact O-CB 3.39Å; D343-L346 PolarHBondContact O-N 3.36Å
347K66Low81.7Confident131 Ų13144.1 Ų44.157%0.5723%0.227SC*.  trans-79150.4166.2-63.4178.8-178173.40108.2I345 G349 V350I345-K347 PolarHBondContact O-N 3.32Å; K347-G349 PolarHBondContact O-N 2.81Å; K347-V350 PolarHBondContact O-N 2.75Å
348Q69.6Low80.9Confident96 Ų9650.1 Ų50.145%0.44926%0.255SS..THydrogen-bonded Turntrans-39.5131.1170.8179.9-163.3-0.500112.6N188 C312 V350N188-Q348 VanDerWaalsContact CG-NE2 3.32Å; N188-Q348 PolarHBondContact ND2-NE2 2.97Å; N188-Q348 WeakPolarHBondContact OD1-CG 3.46Å; N188-Q348 PolarHBondContact OD1-NE2 3.21Å; N188-Q348 PolarHBondContact OD1-OE1 2.75Å; C312-Q348 PolarHBondContact SG-O 2.93Å; C312-Q348 VanDerWaalsContact SG-O 3.38Å; Q348-V350 VanDerWaalsContact C-N 3.34Å; Q348-V350 PolarHBondContact O-N 2.75Å
349G78Confident80.4Confident5 Ų549.8 Ų49.85%0.05225%0.251CS..THydrogen-bonded Turntrans82.9-0.7165.800000116.2Q186 C312 K347 A351Q186-G349 PolarHBondContact O-N 2.78Å; Q186-G349 VanDerWaalsContact O-N 3.11Å; C312-G349 PolarHBondContact SG-O 2.91Å; K347-G349 PolarHBondContact O-N 2.81Å; G349-A351 PolarHBondContact O-N 2.79Å
350V88.8Confident80Confident3 Ų355 Ų552%0.01827%0.274CS..  trans-66.3132.1170.51760000109.2Q186 C312 I314 I345 K347 Q348 L352 L363Q186-V350 PolarHBondContact N-O 3.02Å; C312-V350 HydrophobicContact CB-CG2 3.69Å; I314-V350 HydrophobicContact CD1-CG1 4.11Å; I314-V350 HydrophobicContact CD1-CG2 4.22Å; I345-V350 HydrophobicContact CG2-CG1 4.4Å; I345-V350 HydrophobicContact CG2-CG2 4.13Å; I345-V350 WeakPolarHBondContact O-CG2 3.37Å; K347-V350 PolarHBondContact O-N 2.75Å; Q348-V350 VanDerWaalsContact C-N 3.34Å; Q348-V350 PolarHBondContact O-N 2.75Å; V350-L352 HydrophobicContact CG1-CD2 4.12Å; V350-L363 HydrophobicContact CG1-CD2 3.82Å
351A92.4Very high80Confident0 Ų055 Ų550%027%0.272CS..EExtended strand (participates in β ladder)trans-94.4132.2176.100000110.6V183 A184 I185 Q298 T300 G349 A364 I408V183-A351 HydrophobicContact CG1-CB 3.91Å; A184-A351 CarbonylContact O-C 3.57Å; A184-A351 WeakPolarHBondContact O-CA 3.32Å; I185-A351 HydrophobicContact CG1-CB 4.06Å; Q298-A351 PolarHBondContact NE2-O 3.32Å; T300-A351 HydrophobicContact CG2-CB 4.41Å; G349-A351 PolarHBondContact O-N 2.79Å; A351-A364 HydrophobicContact CB-CB 3.89Å; A351-A364 PolarHBondContact O-N 2.83Å; A351-I408 HydrophobicContact CB-CD1 3.54Å; A351-I408 HydrophobicContact CB-CG1 4.47Å
352L93.1Very high80.4Confident3 Ų356 Ų562%0.01628%0.275CS..EExtended strand (participates in β ladder)trans-113.1157.5179.5-53.6179.7000110.4V183 A184 F341 V350 G354 Y355 W362 L363V183-L352 WeakPolarHBondContact CA-O 3.35Å; A184-L352 HydrophobicContact CB-CB 4.38Å; A184-L352 PolarHBondContact N-O 2.97Å; A184-L352 PolarHBondContact O-N 2.79Å; F341-L352 HydrophobicContact CD2-CD2 3.62Å; F341-L352 HydrophobicContact CE2-CD1 4.38Å; F341-L352 HydrophobicContact CE2-CD2 3.49Å; F341-L352 VanDerWaalsContact CE2-CD2 3.49Å; F341-L352 HydrophobicContact CG-CD2 4.28Å; F341-L352 HydrophobicContact CZ-CD1 4.18Å; F341-L352 HydrophobicContact CZ-CD2 4.05Å; V350-L352 HydrophobicContact CG1-CD2 4.12Å; L352-G354 PolarHBondContact O-N 3.1Å; L352-Y355 HydrophobicContact CD1-CD2 4.04Å; L352-W362 VanDerWaalsContact CA-O 3.27Å; L352-W362 WeakPolarHBondContact CA-O 3.19Å; L352-W362 WeakPolarHBondContact CB-O 3.36Å; L352-L363 HydrophobicContact CD2-CD2 4.4Å
353E92.6Very high81.2Confident3 Ų353.5 Ų53.51%0.01426%0.259CS..SBendtrans-73.858176.4-166.8131.2-110.400112R225 Y227 H271 W362 S365 Q433R225-E353 WeakPolarHBondContact CD-O 3.28Å; R225-E353 PolarHBondContact NE-O 3.23Å; R225-E353 VanDerWaalsContact NE-O 3.14Å; Y227-E353 WeakPolarHBondContact CB-OE1 3.38Å; Y227-E353 HydrophobicContact CD1-CG 4.3Å; Y227-E353 HydrophobicContact CG-CG 4.42Å; H271-E353 IonicContact NE2-OE2 3.95Å; E353-W362 HydrophobicContact CB-CB 4.39Å; E353-W362 PolarHBondContact N-O 2.76Å; E353-S365 VanDerWaalsContact CD-OG 3.22Å; E353-S365 WeakPolarHBondContact OE1-CB 3.39Å; E353-S365 PolarHBondContact OE1-N 2.82Å; E353-S365 PolarHBondContact OE1-OG 2.74Å; E353-S365 PolarHBondContact OE2-OG 2.74Å; E353-Q433 PolarHBondContact OE2-NE2 2.82Å
354G90.1Very high82.4Confident6 Ų647.4 Ų47.46%0.06223%0.226CC..  trans65.6173.5-161.500000112.5S182 L352S182-G354 PolarHBondContact O-N 2.91Å; L352-G354 PolarHBondContact O-N 3.1Å
355Y86.3Confident84Confident92 Ų9243.4 Ų43.436%0.36120%0.199SC..  trans-133.3127.3178.4-175.9-91.2000110.7L195 L352 N361L195-Y355 HydrophobicContact CD1-CD1 3.45Å; L195-Y355 VanDerWaalsContact CD1-CD1 3.45Å; L195-Y355 HydrophobicContact CD1-CD2 4.15Å; L195-Y355 HydrophobicContact CD1-CE1 4.36Å; L195-Y355 HydrophobicContact CD1-CG 3.32Å; L352-Y355 HydrophobicContact CD1-CD2 4.04Å; Y355-N361 VanDerWaalsContact CA-OD1 3.3Å; Y355-N361 WeakPolarHBondContact CA-OD1 3.21Å; Y355-N361 VanDerWaalsContact CD2-OD1 3.32Å; Y355-N361 WeakPolarHBondContact CD2-OD1 3.47Å
356I85Confident85.5Confident1 Ų142.8 Ų42.81%0.00520%0.196CC..  trans-130.4123.6176-63.7177.7000106.4R29 I223 R225 E359 N361R29-I356 HydrophobicContact CB-CD1 4.05Å; R29-I356 VanDerWaalsContact CZ-CG2 3.48Å; I223-I356 HydrophobicContact CG2-CG1 4.27Å; R225-I356 HydrophobicContact CG-CD1 3.81Å; R225-I356 HydrophobicContact CG-CG1 4.27Å; R225-I356 VanDerWaalsContact NH2-N 3.15Å; I356-E359 HydrophobicContact CB-CB 4.21Å; I356-E359 HydrophobicContact CB-CG 4.44Å; I356-E359 HydrophobicContact CG2-CB 4.04Å; I356-E359 HydrophobicContact CG2-CG 3.78Å; I356-E359 PolarHBondContact O-N 2.64Å; I356-N361 PolarHBondContact N-OD1 3.33Å
357K77.3Confident87Confident107 Ų10740.6 Ų40.647%0.46519%0.185SC..THydrogen-bonded Turntrans-64.8141.7177.6-160.7-178.1178.9177.80108.9E359K357-E359 PolarHBondContact O-N 3.01Å
358Q78.2Confident88.4Confident131 Ų13134.3 Ų34.361%0.61216%0.158SC*.THydrogen-bonded Turntrans67.77-179.8-48.9173.4-22.800115.4
359E84Confident89.4Confident59 Ų5929.8 Ų29.828%0.27614%0.136SC..SBendtrans-113.9161.9169.7-68.8-169.2177.400111R29 R225 I356 K357 N361R29-E359 IonicContact CZ-OE1 2.7Å; R29-E359 IonicContact NE-OE1 2.76Å; R29-E359 PolarHBondContact NE-OE1 2.7Å; R29-E359 VanDerWaalsContact NH2-CD 3.27Å; R29-E359 IonicContact NH2-OE1 3.85Å; R29-E359 PolarHBondContact NH2-OE1 3.36Å; R225-E359 IonicContact NH1-OE2 3.95Å; I356-E359 HydrophobicContact CB-CB 4.21Å; I356-E359 HydrophobicContact CB-CG 4.44Å; I356-E359 HydrophobicContact CG2-CB 4.04Å; I356-E359 HydrophobicContact CG2-CG 3.78Å; I356-E359 PolarHBondContact O-N 2.64Å; K357-E359 PolarHBondContact O-N 3.01Å; E359-N361 PolarHBondContact O-N 2.83Å; E359-N361 PolarHBondContact O-ND2 2.78Å; E359-N361 VanDerWaalsContact O-ND2 3.08Å
360K86.1Confident89.9Confident112 Ų11231.9 Ų31.949%0.48714%0.144SC..  trans-61.1136168.1-175170.9175.1-176.40109R225 D272 W362R225-K360 PolarHBondContact NH1-O 2.72Å; R225-K360 PolarHBondContact NH2-O 2.91Å; D272-K360 IonicContact OD1-NZ 2.75Å; D272-K360 IonicContact OD2-NZ 3.97Å; D272-K360 PolarHBondContact OD2-NZ 2.87Å; K360-W362 HydrophobicContact CB-CH2 4.06Å; K360-W362 HydrophobicContact CB-CZ2 4.19Å; K360-W362 HydrophobicContact CB-CZ3 4.43Å; K360-W362 HydrophobicContact CD-CH2 4.35Å; K360-W362 HydrophobicContact CD-CZ2 3.61Å; K360-W362 VanDerWaalsContact CE-NE1 3.28Å; K360-W362 HydrophobicContact CG-CD2 4.32Å; K360-W362 HydrophobicContact CG-CH2 4.22Å; K360-W362 HydrophobicContact CG-CZ2 3.88Å; K360-W362 WeakPolarHBondContact O-CZ3 3.3Å
361N87.7Confident89.8Confident20 Ų2034.5 Ų34.511%0.10716%0.157CC..  trans-110.3146.1172.4-65-84.2000107.8R225 F341 Y355 I356 E359R225-N361 PolarHBondContact NH2-OD1 2.87Å; F341-N361 HydrophobicContact CD1-CB 4.06Å; F341-N361 WeakPolarHBondContact CD1-O 3.08Å; F341-N361 HydrophobicContact CE1-CB 3.93Å; Y355-N361 VanDerWaalsContact CA-OD1 3.3Å; Y355-N361 WeakPolarHBondContact CA-OD1 3.21Å; Y355-N361 VanDerWaalsContact CD2-OD1 3.32Å; Y355-N361 WeakPolarHBondContact CD2-OD1 3.47Å; I356-N361 PolarHBondContact N-OD1 3.33Å; E359-N361 PolarHBondContact O-N 2.83Å; E359-N361 PolarHBondContact O-ND2 2.78Å; E359-N361 VanDerWaalsContact O-ND2 3.08Å
362W92.5Very high89.7Confident58 Ų5836.1 Ų36.122%0.2217%0.169CC..  trans-121.1161.6175.4-66.5-89.9000109.4L352 E353 K360L352-W362 VanDerWaalsContact CA-O 3.27Å; L352-W362 WeakPolarHBondContact CA-O 3.19Å; L352-W362 WeakPolarHBondContact CB-O 3.36Å; E353-W362 HydrophobicContact CB-CB 4.39Å; E353-W362 PolarHBondContact N-O 2.76Å; K360-W362 HydrophobicContact CB-CH2 4.06Å; K360-W362 HydrophobicContact CB-CZ2 4.19Å; K360-W362 HydrophobicContact CB-CZ3 4.43Å; K360-W362 HydrophobicContact CD-CH2 4.35Å; K360-W362 HydrophobicContact CD-CZ2 3.61Å; K360-W362 VanDerWaalsContact CE-NE1 3.28Å; K360-W362 HydrophobicContact CG-CD2 4.32Å; K360-W362 HydrophobicContact CG-CH2 4.22Å; K360-W362 HydrophobicContact CG-CZ2 3.88Å; K360-W362 WeakPolarHBondContact O-CZ3 3.3Å
363L94.7Very high89.4Confident2 Ų241.7 Ų41.71%0.0121%0.208CC..BIsolated β-bridgetrans-57.9152.3164.4-61.6177.3000109.4H271 I314 T339 F341 V350 L352 S365 Y410 L431H271-L363 PolarHBondContact CE1-O 3.26Å; I314-L363 HydrophobicContact CD1-CD1 4.46Å; I314-L363 HydrophobicContact CD1-CD2 4.09Å; I314-L363 HydrophobicContact CG1-CD1 4.35Å; I314-L363 HydrophobicContact CG2-CD1 3.5Å; T339-L363 WeakPolarHBondContact O-CD1 3.47Å; F341-L363 HydrophobicContact CB-CD2 4.34Å; F341-L363 HydrophobicContact CB-CG 4.25Å; F341-L363 HydrophobicContact CD2-CD2 4.05Å; V350-L363 HydrophobicContact CG1-CD2 3.82Å; L352-L363 HydrophobicContact CD2-CD2 4.4Å; L363-S365 PolarHBondContact O-N 2.79Å; L363-Y410 WeakPolarHBondContact CB-OH 3.37Å; L363-L431 HydrophobicContact CB-CD2 4.18Å; L363-L431 HydrophobicContact CD1-CD2 4.13Å
364A95.5Very high89.3Confident1 Ų145.5 Ų45.51%0.00823%0.229CC..PPolyproline II helixtrans-64.5130.4177.100000110.8V183 A351 I408 Y410V183-A364 HydrophobicContact CG1-CB 4.41Å; A351-A364 HydrophobicContact CB-CB 3.89Å; A351-A364 PolarHBondContact O-N 2.83Å; A364-I408 HydrophobicContact CB-CD1 4.39Å; A364-I408 HydrophobicContact CB-CG1 3.86Å; A364-I408 HydrophobicContact CB-CG2 4.17Å; A364-Y410 WeakPolarHBondContact O-CE2 3.27Å; A364-Y410 PolarHBondContact O-OH 3.17Å
365S97.1Very high89.4Confident10 Ų1047 Ų477%0.0723%0.233CC..PPolyproline II helixtrans-62.6153.1173.6-61.10000111.5H271 E353 L363 T367 L431H271-S365 PolarHBondContact NE2-OG 3.5Å; E353-S365 VanDerWaalsContact CD-OG 3.22Å; E353-S365 WeakPolarHBondContact OE1-CB 3.39Å; E353-S365 PolarHBondContact OE1-N 2.82Å; E353-S365 PolarHBondContact OE1-OG 2.74Å; E353-S365 PolarHBondContact OE2-OG 2.74Å; L363-S365 PolarHBondContact O-N 2.79Å; S365-T367 PolarHBondContact O-N 3.4Å; S365-L431 CarbonylContact C-O 3.56Å; S365-L431 VanDerWaalsContact CA-O 3.28Å; S365-L431 WeakPolarHBondContact CA-O 3.33Å
366S97.3Very high89.6Confident5 Ų544 Ų444%0.03523%0.231CC..PPolyproline II helixtrans-54.7131.1171.5-65.60000110.7I368 I408 Y410 L430 L431S366-I368 PolarHBondContact O-N 2.88Å; S366-I408 WeakPolarHBondContact CA-O 3.3Å; S366-Y410 WeakPolarHBondContact OG-CD2 3.36Å; S366-L430 WeakPolarHBondContact OG-CA 3.34Å; S366-L431 PolarHBondContact N-O 2.91Å; S366-L431 PolarHBondContact OG-N 3.03Å
367T95.5Very high89.9Confident7 Ų749.1 Ų49.14%0.04326%0.255CS..PPolyproline II helixtrans-75.8121-179.5-55.90000109.8S365 L369 M382 H404 I408S365-T367 PolarHBondContact O-N 3.4Å; T367-L369 HydrophobicContact CG2-CD2 4.16Å; T367-M382 WeakPolarHBondContact O-CE 3.49Å; T367-H404 HydrophobicContact CG2-CB 4.47Å; T367-I408 PolarHBondContact N-O 2.89Å; T367-I408 PolarHBondContact OG1-N 2.88Å
368I94.3Very high90.6Very high0 Ų044 Ų440%023%0.233CC..PPolyproline II helixtrans-98.7118.5176.4-52.5-53.2000109.8F35 I228 S366 F375 C378 L379 M382 L430 M432F35-I368 HydrophobicContact CE2-CG2 4.39Å; I228-I368 HydrophobicContact CD1-CB 4.3Å; S366-I368 PolarHBondContact O-N 2.88Å; I368-F375 HydrophobicContact CG1-CE2 4.39Å; I368-F375 HydrophobicContact CG2-CD2 4.47Å; I368-F375 HydrophobicContact CG2-CE2 4.16Å; I368-C378 HydrophobicContact CG2-CB 3.8Å; I368-L379 HydrophobicContact CD1-CD2 3.82Å; I368-L379 HydrophobicContact CG1-CD2 4.27Å; I368-M382 HydrophobicContact CD1-CB 4.21Å; I368-M382 HydrophobicContact CD1-CG 4.18Å; I368-M382 HydrophobicContact CG2-CG 4.44Å; I368-L430 HydrophobicContact CD1-CD1 4.32Å; I368-L430 HydrophobicContact CD1-CD2 4.3Å; I368-M432 HydrophobicContact CD1-CE 4.36Å; I368-M432 HydrophobicContact CD1-SD 4.42Å; I368-M432 HydrophobicContact CG1-CE 3.76Å; I368-M432 HydrophobicContact CG1-SD 4.44Å
369L90.5Very high91.3Very high0 Ų038.3 Ų38.30%021%0.207CC..PPolyproline II helixtrans-84120.2176.4-53179.1000109.4T367 L371 M382 I385 I397 N400 K401T367-L369 HydrophobicContact CG2-CD2 4.16Å; L369-L371 VanDerWaalsContact C-N 3.26Å; L369-L371 HydrophobicContact CB-CD1 4.29Å; L369-L371 HydrophobicContact CB-CG 4.23Å; L369-L371 PolarHBondContact O-N 3.26Å; L369-M382 HydrophobicContact CB-SD 3.93Å; L369-M382 HydrophobicContact CD1-SD 3.82Å; L369-M382 HydrophobicContact CG-CE 4.32Å; L369-M382 HydrophobicContact CG-SD 3.56Å; L369-M382 VanDerWaalsContact CG-SD 3.56Å; L369-I385 HydrophobicContact CD1-CD1 4.45Å; L369-I397 HydrophobicContact CD1-CG2 3.94Å; L369-N400 HydrophobicContact CB-CB 4.16Å; L369-N400 HydrophobicContact CD1-CB 4.23Å; L369-N400 HydrophobicContact CD2-CB 4.1Å; L369-N400 HydrophobicContact CG-CB 4.37Å; L369-K401 HydrophobicContact CD1-CG 3.87Å; L369-K401 HydrophobicContact CD2-CG 4.48Å
370K88.9Confident91.6Very high49 Ų4940.9 Ų40.921%0.21322%0.219CC..  trans-76.573.1-179.6-62.4-170.3175.41760111.1D33 F35 T177D33-K370 VanDerWaalsContact CG-NZ 3.28Å; D33-K370 IonicContact OD1-NZ 2.64Å; D33-K370 PolarHBondContact OD1-NZ 3.17Å; D33-K370 IonicContact OD2-NZ 3.01Å; D33-K370 PolarHBondContact OD2-NZ 2.6Å; F35-K370 HydrophobicContact CD2-CD 4.32Å; F35-K370 HydrophobicContact CD2-CG 4.19Å; F35-K370 HydrophobicContact CE2-CB 4.44Å; F35-K370 HydrophobicContact CE2-CD 4.24Å; F35-K370 HydrophobicContact CE2-CG 3.69Å; F35-K370 HydrophobicContact CZ-CG 4.23Å; F35-K370 WeakPolarHBondContact O-CE 3.31Å; F35-K370 PolarHBondContact O-NZ 2.79Å; T177-K370 VanDerWaalsContact CB-NZ 3.3Å; T177-K370 PolarHBondContact O-NZ 2.83Å; T177-K370 VanDerWaalsContact O-NZ 3.16Å
371L87.4Confident91.8Very high58 Ų5838.1 Ų38.130%0.30421%0.208SC..  trans-94.7-18179.2-68.4173.8000113.6L369 M381 A396 I397 N400L369-L371 VanDerWaalsContact C-N 3.26Å; L369-L371 HydrophobicContact CB-CD1 4.29Å; L369-L371 HydrophobicContact CB-CG 4.23Å; L369-L371 PolarHBondContact O-N 3.26Å; L371-M381 HydrophobicContact CB-CE 3.8Å; L371-M381 HydrophobicContact CB-SD 4.07Å; L371-M381 HydrophobicContact CD1-CE 3.48Å; L371-M381 VanDerWaalsContact CD1-CE 3.48Å; L371-M381 HydrophobicContact CD1-SD 3.43Å; L371-M381 WeakPolarHBondContact CD1-SD 3.41Å; L371-M381 HydrophobicContact CG-CE 3.97Å; L371-M381 HydrophobicContact CG-SD 4.31Å; L371-A396 HydrophobicContact CD2-CB 3.83Å; L371-I397 HydrophobicContact CD1-CB 4.38Å; L371-I397 HydrophobicContact CD1-CG1 3.42Å; L371-I397 VanDerWaalsContact CD1-CG1 3.42Å; L371-N400 HydrophobicContact CD2-CB 4.4Å; L371-N400 WeakPolarHBondContact CD2-ND2 3.18Å
372S88.5Confident91.9Very high35 Ų3537.6 Ų37.625%0.24521%0.205CC..SBendtrans-127.1160.6172.6179.60000110.1F35 D374 E377 C378F35-S372 WeakPolarHBondContact CZ-O 3.38Å; S372-D374 VanDerWaalsContact C-N 3.25Å; S372-D374 PolarHBondContact OG-N 3.36Å; S372-D374 VanDerWaalsContact OG-N 3.11Å; S372-E377 VanDerWaalsContact CB-OE2 3.28Å; S372-E377 WeakPolarHBondContact CB-OE2 3.35Å; S372-E377 PolarHBondContact OG-OE2 3.36Å; S372-C378 PolarHBondContact N-SG 2.82Å
373S88Confident91.8Very high120 Ų12035.3 Ų35.384%0.83920%0.197SC*.SBendtrans-74.4-18.1167.452.40000112.7F35F35-S373 WeakPolarHBondContact CE1-O 3.29Å
374D91.3Very high91.3Very high82 Ų8237.8 Ų37.844%0.43921%0.21SC..  trans-87.9120.8173.8-169.2-15000110.2S372 G376 E377 C378S372-D374 VanDerWaalsContact C-N 3.25Å; S372-D374 PolarHBondContact OG-N 3.36Å; S372-D374 VanDerWaalsContact OG-N 3.11Å; D374-G376 VanDerWaalsContact C-N 3.31Å; D374-G376 PolarHBondContact OD1-N 2.78Å; D374-E377 HydrophobicContact CB-CB 4.08Å; D374-E377 HydrophobicContact CB-CG 3.8Å; D374-C378 PolarHBondContact O-N 2.62Å; D374-C378 PolarHBondContact O-SG 3.19Å
375F90.9Very high90.7Very high37 Ų3739.3 Ų39.316%0.16222%0.218CC..Hα-helixtrans-64.9-36.8176.1-177.6-138.9000111.9F35 I228 A229 P231 I368 C378 L379 M432F35-F375 HydrophobicContact CB-CB 4.49Å; F35-F375 HydrophobicContact CB-CD2 4.27Å; F35-F375 HydrophobicContact CB-CG 4.32Å; F35-F375 HydrophobicContact CD1-CB 3.84Å; F35-F375 HydrophobicContact CD1-CD2 4.48Å; F35-F375 HydrophobicContact CD1-CG 4.43Å; F35-F375 HydrophobicContact CD2-CB 4.2Å; F35-F375 AromaticContact CD2-CD2 3.31Å; F35-F375 HydrophobicContact CD2-CD2 3.31Å; F35-F375 AromaticContact CD2-CE2 3.92Å; F35-F375 HydrophobicContact CD2-CE2 3.92Å; F35-F375 HydrophobicContact CD2-CG 4.02Å; F35-F375 HydrophobicContact CE1-CB 4.01Å; F35-F375 HydrophobicContact CE2-CB 4.35Å; F35-F375 AromaticContact CE2-CD2 3.61Å; F35-F375 HydrophobicContact CE2-CD2 3.61Å; F35-F375 HydrophobicContact CE2-CE2 4.4Å; F35-F375 HydrophobicContact CE2-CG 4.4Å; F35-F375 HydrophobicContact CG-CB 3.93Å; F35-F375 AromaticContact CG-CD2 3.79Å; F35-F375 HydrophobicContact CG-CD2 3.79Å; F35-F375 HydrophobicContact CG-CG 4.02Å; F35-F375 HydrophobicContact CZ-CB 4.25Å; F35-F375 HydrophobicContact CZ-CD2 4.32Å; I228-F375 HydrophobicContact CG2-CE2 4.44Å; A229-F375 VanDerWaalsContact O-CZ 3.3Å; A229-F375 WeakPolarHBondContact O-CZ 3.17Å; P231-F375 HydrophobicContact CB-CE1 4.43Å; I368-F375 HydrophobicContact CG1-CE2 4.39Å; I368-F375 HydrophobicContact CG2-CD2 4.47Å; I368-F375 HydrophobicContact CG2-CE2 4.16Å; F375-C378 WeakPolarHBondContact O-CB 3.44Å; F375-C378 PolarHBondContact O-N 3.36Å; F375-L379 HydrophobicContact CD1-CD1 4.26Å; F375-L379 HydrophobicContact CD2-CG 4.26Å; F375-L379 HydrophobicContact CE1-CD1 4.02Å; F375-L379 HydrophobicContact CE2-CD1 4.4Å; F375-L379 HydrophobicContact CE2-CD2 3.87Å; F375-L379 HydrophobicContact CE2-CG 4.02Å; F375-L379 HydrophobicContact CZ-CD1 4.1Å; F375-L379 HydrophobicContact CZ-CD2 3.91Å; F375-L379 HydrophobicContact CZ-CG 4.16Å; F375-L379 WeakPolarHBondContact O-CG 3.43Å; F375-L379 PolarHBondContact O-N 2.82Å; F375-M432 HydrophobicContact CZ-CE 4.1Å
376G91.2Very high89.6Confident31 Ų3144.4 Ų44.432%0.3224%0.24SC..Hα-helixtrans-61.5-47.417800000112.1D374 C378 L379 E380D374-G376 VanDerWaalsContact C-N 3.31Å; D374-G376 PolarHBondContact OD1-N 2.78Å; G376-C378 VanDerWaalsContact C-N 3.27Å; G376-C378 PolarHBondContact O-N 2.91Å; G376-L379 WeakPolarHBondContact O-CB 3.35Å; G376-L379 PolarHBondContact O-N 3.03Å; G376-L379 VanDerWaalsContact O-N 3.14Å; G376-E380 PolarHBondContact O-N 2.89Å
377E90.9Very high88.7Confident107 Ų10748.8 Ų48.850%0.526%0.259SS..Hα-helixtrans-58.8-40.6174.6-67.8-179.3171.200111.6S372 D374 L379 E380 M381S372-E377 VanDerWaalsContact CB-OE2 3.28Å; S372-E377 WeakPolarHBondContact CB-OE2 3.35Å; S372-E377 PolarHBondContact OG-OE2 3.36Å; D374-E377 HydrophobicContact CB-CB 4.08Å; D374-E377 HydrophobicContact CB-CG 3.8Å; E377-L379 PolarHBondContact O-N 2.9Å; E377-E380 PolarHBondContact O-N 2.91Å; E377-M381 VanDerWaalsContact O-CB 3.28Å; E377-M381 WeakPolarHBondContact O-CB 2.93Å; E377-M381 PolarHBondContact O-N 2.83Å
378C92Very high86.9Confident1 Ų157 Ų571%0.00730%0.303CS..Hα-helixtrans-64.7-39.5177-66.30000112.2F35 I368 S372 D374 F375 G376 M382F35-C378 HydrophobicContact CE2-CB 4.27Å; F35-C378 HydrophobicContact CZ-CB 4.35Å; I368-C378 HydrophobicContact CG2-CB 3.8Å; S372-C378 PolarHBondContact N-SG 2.82Å; D374-C378 PolarHBondContact O-N 2.62Å; D374-C378 PolarHBondContact O-SG 3.19Å; F375-C378 WeakPolarHBondContact O-CB 3.44Å; F375-C378 PolarHBondContact O-N 3.36Å; G376-C378 VanDerWaalsContact C-N 3.27Å; G376-C378 PolarHBondContact O-N 2.91Å; C378-M382 WeakPolarHBondContact O-CB 3.5Å; C378-M382 WeakPolarHBondContact O-CG 3.37Å; C378-M382 PolarHBondContact O-N 2.79Å
379L92.3Very high85.7Confident11 Ų1159.7 Ų59.76%0.05832%0.319CS..Hα-helixtrans-63.3-47.8175.8-67.7172.5000111.2P231 L268 I368 F375 G376 E377 M381 M382 Q383 L430 M432P231-L379 HydrophobicContact CG-CD1 4.31Å; L268-L379 HydrophobicContact CD1-CD1 4.24Å; L268-L379 HydrophobicContact CD1-CD2 4.13Å; I368-L379 HydrophobicContact CD1-CD2 3.82Å; I368-L379 HydrophobicContact CG1-CD2 4.27Å; F375-L379 HydrophobicContact CD1-CD1 4.26Å; F375-L379 HydrophobicContact CD2-CG 4.26Å; F375-L379 HydrophobicContact CE1-CD1 4.02Å; F375-L379 HydrophobicContact CE2-CD1 4.4Å; F375-L379 HydrophobicContact CE2-CD2 3.87Å; F375-L379 HydrophobicContact CE2-CG 4.02Å; F375-L379 HydrophobicContact CZ-CD1 4.1Å; F375-L379 HydrophobicContact CZ-CD2 3.91Å; F375-L379 HydrophobicContact CZ-CG 4.16Å; F375-L379 WeakPolarHBondContact O-CG 3.43Å; F375-L379 PolarHBondContact O-N 2.82Å; G376-L379 WeakPolarHBondContact O-CB 3.35Å; G376-L379 PolarHBondContact O-N 3.03Å; G376-L379 VanDerWaalsContact O-N 3.14Å; E377-L379 PolarHBondContact O-N 2.9Å; L379-M381 PolarHBondContact O-N 2.9Å; L379-M382 PolarHBondContact O-N 2.92Å; L379-Q383 WeakPolarHBondContact O-CB 3.48Å; L379-Q383 PolarHBondContact O-N 2.85Å; L379-L430 HydrophobicContact CB-CD1 4.08Å; L379-L430 HydrophobicContact CD2-CD1 3.61Å; L379-L430 HydrophobicContact CG-CD1 4.45Å; L379-M432 HydrophobicContact CD2-SD 3.81Å
380E90.2Very high84.8Confident113 Ų11366.4 Ų66.453%0.52835%0.35SS..Hα-helixtrans-62.2-43.2179.1-72-172.1179.300112.1G376 E377 Q383 N384G376-E380 PolarHBondContact O-N 2.89Å; E377-E380 PolarHBondContact O-N 2.91Å; E380-Q383 PolarHBondContact O-N 3.46Å; E380-N384 WeakPolarHBondContact O-CB 3.39Å; E380-N384 PolarHBondContact O-N 3.1Å; E380-N384 VanDerWaalsContact O-N 3.07Å; E380-N384 PolarHBondContact O-ND2 3.3Å
381M90.2Very high84Confident53 Ų5371.8 Ų71.826%0.26138%0.376SS..Hα-helixtrans-62-46175.8178.1-170.160.200111.2L371 E377 L379 N384 I385L371-M381 HydrophobicContact CB-CE 3.8Å; L371-M381 HydrophobicContact CB-SD 4.07Å; L371-M381 HydrophobicContact CD1-CE 3.48Å; L371-M381 VanDerWaalsContact CD1-CE 3.48Å; L371-M381 HydrophobicContact CD1-SD 3.43Å; L371-M381 WeakPolarHBondContact CD1-SD 3.41Å; L371-M381 HydrophobicContact CG-CE 3.97Å; L371-M381 HydrophobicContact CG-SD 4.31Å; E377-M381 VanDerWaalsContact O-CB 3.28Å; E377-M381 WeakPolarHBondContact O-CB 2.93Å; E377-M381 PolarHBondContact O-N 2.83Å; L379-M381 PolarHBondContact O-N 2.9Å; M381-N384 CarbonylContact O-C 3.58Å; M381-N384 PolarHBondContact O-N 2.74Å; M381-I385 WeakPolarHBondContact O-CA 2.92Å; M381-I385 PolarHBondContact O-N 3.48Å
382M90.7Very high83.1Confident10 Ų1073 Ų735%0.04939%0.389CS..Hα-helixtrans-67.8-35.6179.8-73.2-55.7-4700112.7T367 I368 L369 C378 L379 N384 I385 L430T367-M382 WeakPolarHBondContact O-CE 3.49Å; I368-M382 HydrophobicContact CD1-CB 4.21Å; I368-M382 HydrophobicContact CD1-CG 4.18Å; I368-M382 HydrophobicContact CG2-CG 4.44Å; L369-M382 HydrophobicContact CB-SD 3.93Å; L369-M382 HydrophobicContact CD1-SD 3.82Å; L369-M382 HydrophobicContact CG-CE 4.32Å; L369-M382 HydrophobicContact CG-SD 3.56Å; L369-M382 VanDerWaalsContact CG-SD 3.56Å; C378-M382 WeakPolarHBondContact O-CB 3.5Å; C378-M382 WeakPolarHBondContact O-CG 3.37Å; C378-M382 PolarHBondContact O-N 2.79Å; L379-M382 PolarHBondContact O-N 2.92Å; M382-N384 VanDerWaalsContact C-N 3.27Å; M382-N384 PolarHBondContact O-N 2.88Å; M382-I385 HydrophobicContact CE-CD1 3.58Å; M382-I385 WeakPolarHBondContact O-CG2 3.36Å; M382-I385 PolarHBondContact O-N 3.39Å; M382-I385 HydrophobicContact SD-CD1 3.88Å; M382-L430 HydrophobicContact CB-CD2 4.21Å
383Q89.4Confident82.8Confident10 Ų1073.9 Ų73.95%0.04739%0.393CS..Hα-helixtrans-61.6-39.1172.7-170.4-163.7-700111.2Y239 P267 L379 E380 P428Y239-Q383 PolarHBondContact OH-OE1 3.34Å; P267-Q383 HydrophobicContact CB-CG 4.35Å; P267-Q383 VanDerWaalsContact CB-NE2 3.28Å; P267-Q383 VanDerWaalsContact CB-OE1 3.31Å; L379-Q383 WeakPolarHBondContact O-CB 3.48Å; L379-Q383 PolarHBondContact O-N 2.85Å; E380-Q383 PolarHBondContact O-N 3.46Å; Q383-P428 VanDerWaalsContact O-CB 3.28Å; Q383-P428 WeakPolarHBondContact O-CB 3.36Å; Q383-P428 VanDerWaalsContact O-CG 3.24Å; Q383-P428 WeakPolarHBondContact O-CG 3.48Å
384N85.9Confident82.5Confident53 Ų5373.9 Ų73.928%0.28338%0.38SS..THydrogen-bonded Turntrans-99.815.7-176-65.5-61.6000113.8E380 M381 M382 Q386 K387E380-N384 WeakPolarHBondContact O-CB 3.39Å; E380-N384 PolarHBondContact O-N 3.1Å; E380-N384 VanDerWaalsContact O-N 3.07Å; E380-N384 PolarHBondContact O-ND2 3.3Å; M381-N384 CarbonylContact O-C 3.58Å; M381-N384 PolarHBondContact O-N 2.74Å; M382-N384 VanDerWaalsContact C-N 3.27Å; M382-N384 PolarHBondContact O-N 2.88Å; N384-Q386 PolarHBondContact O-N 2.69Å; N384-K387 HydrophobicContact CB-CD 4.21Å; N384-K387 WeakPolarHBondContact O-CB 3.38Å; N384-K387 PolarHBondContact O-N 2.88Å; N384-K387 WeakPolarHBondContact OD1-CD 3.01Å; N384-K387 PolarHBondContact OD1-NZ 3.46Å
385I82.1Confident82.2Confident34 Ų3474.7 Ų74.717%0.17439%0.388CS..THydrogen-bonded Turntrans-57.4-20.6-172.2-163165.2000114.5L369 M381 M382 I397L369-I385 HydrophobicContact CD1-CD1 4.45Å; M381-I385 WeakPolarHBondContact O-CA 2.92Å; M381-I385 PolarHBondContact O-N 3.48Å; M382-I385 HydrophobicContact CE-CD1 3.58Å; M382-I385 WeakPolarHBondContact O-CG2 3.36Å; M382-I385 PolarHBondContact O-N 3.39Å; M382-I385 HydrophobicContact SD-CD1 3.88Å; I385-I397 HydrophobicContact CD1-CG2 4.18Å
386Q74.8Confident82Confident116 Ų11674.9 Ų74.954%0.54240%0.396SS..THydrogen-bonded Turntrans-90.4-9.5177.9-64.2-176.9-7.300113.9N384N384-Q386 PolarHBondContact O-N 2.69Å
387K76.8Confident81.8Confident98 Ų9874 Ų7443%0.42639%0.385SS..SBendtrans-86.1149.6176.9-63.3-176.8179.2169.90109.1E243 N384 V389E243-K387 WeakPolarHBondContact OE1-CE 3.45Å; E243-K387 IonicContact OE1-NZ 3.45Å; E243-K387 PolarHBondContact OE1-NZ 3.39Å; N384-K387 HydrophobicContact CB-CD 4.21Å; N384-K387 WeakPolarHBondContact O-CB 3.38Å; N384-K387 PolarHBondContact O-N 2.88Å; N384-K387 WeakPolarHBondContact OD1-CD 3.01Å; N384-K387 PolarHBondContact OD1-NZ 3.46Å; K387-V389 WeakPolarHBondContact O-CG2 2.84Å; K387-V389 PolarHBondContact O-N 3.17Å
388N59.2Low81.7Confident180 Ų18073.9 Ų73.996%0.96338%0.382SS*.  trans-42103-174-70.3-20.9000112.5
389V68.2Low81.4Confident56 Ų5676.4 Ų76.434%0.33940%0.403SS..  trans-92141179-178.70000108.4K387 T393 I397K387-V389 WeakPolarHBondContact O-CG2 2.84Å; K387-V389 PolarHBondContact O-N 3.17Å; V389-T393 WeakPolarHBondContact CG1-OG1 3.28Å; V389-I397 HydrophobicContact CG1-CD1 3.73Å; V389-I397 HydrophobicContact CG2-CD1 4.43Å
390E72.5Confident81.3Confident141 Ų14177.4 Ų77.466%0.65941%0.409SS*.  trans-62.8147.5175-60.4-178.417200110.9S392 T393 E394E390-S392 VanDerWaalsContact C-N 3.28Å; E390-S392 PolarHBondContact O-N 2.85Å; E390-T393 WeakPolarHBondContact CA-OG1 3.5Å; E390-T393 WeakPolarHBondContact CB-OG1 3.1Å; E390-T393 PolarHBondContact N-OG1 2.95Å; E390-T393 PolarHBondContact O-N 3.37Å; E390-T393 VanDerWaalsContact O-N 3.08Å; E390-T393 PolarHBondContact O-OG1 3.3Å; E390-E394 PolarHBondContact O-N 3.11Å
391E71.5Confident81.3Confident162 Ų16273.1 Ų73.176%0.75739%0.388SS*.Hα-helixtrans-60.4-35-173.8-168.3174.5-169.500113.1E394 T395E391-E394 PolarHBondContact O-N 3.48Å; E391-T395 PolarHBondContact O-N 3.23Å; E391-T395 PolarHBondContact O-OG1 3.1Å
392S69.4Low81.1Confident82 Ų8274.1 Ų74.157%0.57339%0.392SS*.Hα-helixtrans-63.5-45.3175.155.80000111.8E390 T395 A396E390-S392 VanDerWaalsContact C-N 3.28Å; E390-S392 PolarHBondContact O-N 2.85Å; S392-T395 PolarHBondContact O-N 3.06Å; S392-A396 PolarHBondContact O-N 3.07Å
393T80.6Confident80.9Confident54 Ų5478.1 Ų78.133%0.33141%0.414SS..Hα-helixtrans-69-33.1176.941.70000112.2V389 E390 T395 A396 I397V389-T393 WeakPolarHBondContact CG1-OG1 3.28Å; E390-T393 WeakPolarHBondContact CA-OG1 3.5Å; E390-T393 WeakPolarHBondContact CB-OG1 3.1Å; E390-T393 PolarHBondContact N-OG1 2.95Å; E390-T393 PolarHBondContact O-N 3.37Å; E390-T393 VanDerWaalsContact O-N 3.08Å; E390-T393 PolarHBondContact O-OG1 3.3Å; T393-T395 VanDerWaalsContact C-N 3.31Å; T393-T395 PolarHBondContact O-N 2.78Å; T393-A396 PolarHBondContact O-N 3.21Å; T393-I397 WeakPolarHBondContact O-CB 3.34Å; T393-I397 WeakPolarHBondContact O-CG1 3.46Å; T393-I397 PolarHBondContact O-N 3.43Å
394E83.1Confident80.8Confident121 Ų12178 Ų7857%0.56541%0.413SS*.Hα-helixtrans-60.2-41.2177.2-170.8179.2179.500112E390 E391 I397 K398E390-E394 PolarHBondContact O-N 3.11Å; E391-E394 PolarHBondContact O-N 3.48Å; E394-I397 PolarHBondContact O-N 2.92Å; E394-K398 WeakPolarHBondContact O-CB 3.34Å; E394-K398 PolarHBondContact O-N 2.93Å
395T85.2Confident80.9Confident98 Ų9875.5 Ų75.560%0.60140%0.4SS*.Hα-helixtrans-65.8-43.3178.5-52.60000111.5E391 S392 T393 K398 A399E391-T395 PolarHBondContact O-N 3.23Å; E391-T395 PolarHBondContact O-OG1 3.1Å; S392-T395 PolarHBondContact O-N 3.06Å; T393-T395 VanDerWaalsContact C-N 3.31Å; T393-T395 PolarHBondContact O-N 2.78Å; T395-K398 PolarHBondContact O-N 2.78Å; T395-A399 PolarHBondContact O-N 2.89Å
396A86.1Confident81.3Confident41 Ų4174.1 Ų74.134%0.33939%0.392SS..Hα-helixtrans-66.1-40.1177.600000112.3L371 S392 T393 A399 N400L371-A396 HydrophobicContact CD2-CB 3.83Å; S392-A396 PolarHBondContact O-N 3.07Å; T393-A396 PolarHBondContact O-N 3.21Å; A396-A399 PolarHBondContact O-N 3.3Å; A396-N400 WeakPolarHBondContact O-CB 3.34Å; A396-N400 PolarHBondContact O-N 3.17Å; A396-N400 PolarHBondContact O-ND2 2.87Å
397I87.4Confident82.2Confident14 Ų1468.7 Ų68.77%0.07237%0.367CS..Hα-helixtrans-58.3-52.1172.5-72.5166.5000109.5L369 L371 I385 V389 T393 E394 A399 N400 K401L369-I397 HydrophobicContact CD1-CG2 3.94Å; L371-I397 HydrophobicContact CD1-CB 4.38Å; L371-I397 HydrophobicContact CD1-CG1 3.42Å; L371-I397 VanDerWaalsContact CD1-CG1 3.42Å; I385-I397 HydrophobicContact CD1-CG2 4.18Å; V389-I397 HydrophobicContact CG1-CD1 3.73Å; V389-I397 HydrophobicContact CG2-CD1 4.43Å; T393-I397 WeakPolarHBondContact O-CB 3.34Å; T393-I397 WeakPolarHBondContact O-CG1 3.46Å; T393-I397 PolarHBondContact O-N 3.43Å; E394-I397 PolarHBondContact O-N 2.92Å; I397-A399 VanDerWaalsContact C-N 3.34Å; I397-A399 PolarHBondContact O-N 2.8Å; I397-N400 PolarHBondContact O-N 2.85Å; I397-N400 VanDerWaalsContact O-N 3.11Å; I397-K401 HydrophobicContact CG2-CD 4.24Å; I397-K401 HydrophobicContact CG2-CG 4.15Å; I397-K401 VanDerWaalsContact O-CG 3.31Å; I397-K401 WeakPolarHBondContact O-CG 3.35Å; I397-K401 PolarHBondContact O-N 2.91Å
398K87.5Confident83.1Confident103 Ų10364 Ų6445%0.44835%0.347SS..Hα-helixtrans-58-45.3-178.6-175.4-179.1175.3-173.30112.2R307 E394 T395 N400 K401 E402R307-K398 VanDerWaalsContact NH2-CE 3.29Å; E394-K398 WeakPolarHBondContact O-CB 3.34Å; E394-K398 PolarHBondContact O-N 2.93Å; T395-K398 PolarHBondContact O-N 2.78Å; K398-N400 VanDerWaalsContact C-N 3.34Å; K398-N400 PolarHBondContact O-N 2.87Å; K398-K401 PolarHBondContact O-N 2.96Å; K398-E402 WeakPolarHBondContact O-CG 3.38Å; K398-E402 PolarHBondContact O-N 3.38Å
399A87Confident84.9Confident55 Ų5556.6 Ų56.646%0.45531%0.309SS..Hα-helixtrans-61.3-42.1176.100000112.1T395 A396 I397 E402 L403T395-A399 PolarHBondContact O-N 2.89Å; A396-A399 PolarHBondContact O-N 3.3Å; I397-A399 VanDerWaalsContact C-N 3.34Å; I397-A399 PolarHBondContact O-N 2.8Å; A399-E402 PolarHBondContact O-N 3.36Å; A399-L403 PolarHBondContact O-N 2.8Å
400N89.6Confident86.3Confident32 Ų3254.2 Ų54.217%0.17129%0.294CS..Hα-helixtrans-66.5-38.7176.3-90.7-94.8000112.6L369 L371 A396 I397 K398 E402 L403 H404L369-N400 HydrophobicContact CB-CB 4.16Å; L369-N400 HydrophobicContact CD1-CB 4.23Å; L369-N400 HydrophobicContact CD2-CB 4.1Å; L369-N400 HydrophobicContact CG-CB 4.37Å; L371-N400 HydrophobicContact CD2-CB 4.4Å; L371-N400 WeakPolarHBondContact CD2-ND2 3.18Å; A396-N400 WeakPolarHBondContact O-CB 3.34Å; A396-N400 PolarHBondContact O-N 3.17Å; A396-N400 PolarHBondContact O-ND2 2.87Å; I397-N400 PolarHBondContact O-N 2.85Å; I397-N400 VanDerWaalsContact O-N 3.11Å; K398-N400 VanDerWaalsContact C-N 3.34Å; K398-N400 PolarHBondContact O-N 2.87Å; N400-E402 VanDerWaalsContact C-N 3.34Å; N400-L403 PolarHBondContact O-N 2.87Å; N400-H404 PolarHBondContact O-N 2.67Å; N400-H404 PolarHBondContact O-ND1 2.84Å
401K90.1Very high87.4Confident23 Ų2347.6 Ų47.610%0.126%0.263CS..Hα-helixtrans-62.2-41.7174.3-67.5-161.5179.5-168.90111.6E301 Y303 L369 I397 K398 H404 G405 V407E301-K401 IonicContact OE1-NZ 2.91Å; E301-K401 IonicContact OE2-NZ 2.93Å; E301-K401 PolarHBondContact OE2-NZ 3.4Å; Y303-K401 HydrophobicContact CD1-CB 4.2Å; Y303-K401 HydrophobicContact CD2-CB 3.92Å; Y303-K401 HydrophobicContact CE1-CB 4.1Å; Y303-K401 HydrophobicContact CE1-CD 4.12Å; Y303-K401 HydrophobicContact CE2-CB 3.79Å; Y303-K401 HydrophobicContact CE2-CD 3.62Å; Y303-K401 HydrophobicContact CE2-CG 4.26Å; Y303-K401 HydrophobicContact CG-CB 4.13Å; Y303-K401 WeakPolarHBondContact OH-CD 3.29Å; Y303-K401 PolarHBondContact OH-NZ 2.76Å; L369-K401 HydrophobicContact CD1-CG 3.87Å; L369-K401 HydrophobicContact CD2-CG 4.48Å; I397-K401 HydrophobicContact CG2-CD 4.24Å; I397-K401 HydrophobicContact CG2-CG 4.15Å; I397-K401 VanDerWaalsContact O-CG 3.31Å; I397-K401 WeakPolarHBondContact O-CG 3.35Å; I397-K401 PolarHBondContact O-N 2.91Å; K398-K401 PolarHBondContact O-N 2.96Å; K401-H404 PolarHBondContact O-N 2.87Å; K401-G405 PolarHBondContact O-N 2.77Å; K401-V407 HydrophobicContact CB-CG2 3.85Å; K401-V407 HydrophobicContact CD-CG2 4.13Å; K401-V407 HydrophobicContact CG-CG2 3.79Å
402E86.6Confident88.7Confident74 Ų7439.9 Ų39.935%0.34623%0.227SC..Hα-helixtrans-64.9-38.6175.4-72.8177.5-177.500112.4Y303 L304 R307 K398 A399 N400 H404 G405Y303-E402 HydrophobicContact CD1-CG 4.22Å; L304-E402 WeakPolarHBondContact CD1-O 3.28Å; R307-E402 IonicContact CZ-OE1 3.74Å; R307-E402 IonicContact NH2-OE1 3.13Å; R307-E402 PolarHBondContact NH2-OE1 3.11Å; K398-E402 WeakPolarHBondContact O-CG 3.38Å; K398-E402 PolarHBondContact O-N 3.38Å; A399-E402 PolarHBondContact O-N 3.36Å; N400-E402 VanDerWaalsContact C-N 3.34Å; E402-H404 VanDerWaalsContact C-N 3.34Å; E402-H404 PolarHBondContact O-N 2.63Å; E402-G405 PolarHBondContact O-N 2.67Å
403L85.7Confident90.1Very high94 Ų9437.2 Ų37.249%0.49220%0.204SC..Hα-helixtrans-62.6-40.5174.7-177.565.8000112.2A399 N400A399-L403 PolarHBondContact O-N 2.8Å; N400-L403 PolarHBondContact O-N 2.87Å
404H87.1Confident90.9Very high8 Ų834.6 Ų34.64%0.03719%0.189CC..Hα-helixtrans-74.5-28-180-74.774.5000113P180 T367 N400 K401 E402 V406P180-H404 WeakPolarHBondContact CB-O 3.48Å; T367-H404 HydrophobicContact CG2-CB 4.47Å; N400-H404 PolarHBondContact O-N 2.67Å; N400-H404 PolarHBondContact O-ND1 2.84Å; K401-H404 PolarHBondContact O-N 2.87Å; E402-H404 VanDerWaalsContact C-N 3.34Å; E402-H404 PolarHBondContact O-N 2.63Å; H404-V406 PolarHBondContact O-N 3.35Å
405G88.1Confident91.6Very high0 Ų031.3 Ų31.30%017%0.171CC..SBendtrans74.8-39.9179.800000114.5M302 Y303 K401 E402M302-G405 CarbonylContact C-O 3.57Å; M302-G405 WeakPolarHBondContact CA-O 3.35Å; Y303-G405 PolarHBondContact N-O 2.95Å; K401-G405 PolarHBondContact O-N 2.77Å; E402-G405 PolarHBondContact O-N 2.67Å
406V91.2Very high92.2Very high4 Ų426.6 Ų26.62%0.02414%0.142CC..EExtended strand (participates in β ladder)trans-125.5131.6171.4-170.60000109.6Y65 V183 I185 V198 T300 E301 H404 I408Y65-V406 HydrophobicContact CD2-CG2 4.17Å; Y65-V406 HydrophobicContact CE2-CG2 3.56Å; V183-V406 HydrophobicContact CB-CG1 4.5Å; V183-V406 HydrophobicContact CG1-CG1 4.03Å; V183-V406 HydrophobicContact CG2-CB 4.48Å; I185-V406 HydrophobicContact CD1-CG1 4.38Å; V198-V406 HydrophobicContact CG2-CG2 4.3Å; T300-V406 HydrophobicContact CG2-CG1 3.76Å; E301-V406 CarbonylContact O-C 3.56Å; E301-V406 WeakPolarHBondContact O-CA 3.15Å; H404-V406 PolarHBondContact O-N 3.35Å; V406-I408 HydrophobicContact CG1-CD1 3.75Å; V406-I408 HydrophobicContact CG1-CG1 4.35Å
407V93.6Very high92.6Very high2 Ų227 Ų271%0.01214%0.135CC..EExtended strand (participates in β ladder)trans-121.5121.6176.5179.90000108.8E301 Y303 K401E301-V407 HydrophobicContact CB-CB 4.3Å; E301-V407 PolarHBondContact N-O 3.37Å; E301-V407 PolarHBondContact O-N 2.93Å; Y303-V407 HydrophobicContact CD2-CG2 4.04Å; Y303-V407 HydrophobicContact CE2-CB 4.24Å; Y303-V407 HydrophobicContact CE2-CG2 3.9Å; K401-V407 HydrophobicContact CB-CG2 3.85Å; K401-V407 HydrophobicContact CD-CG2 4.13Å; K401-V407 HydrophobicContact CG-CG2 3.79Å
408I95.6Very high92.8Very high1 Ų126.4 Ų26.41%0.00513%0.132CC..EExtended strand (participates in β ladder)trans-105.5129.6-180-53.9-58.4000109.3V183 Q298 V299 T300 A351 A364 S366 T367 V406 Y410V183-I408 HydrophobicContact CG1-CD1 4.23Å; V183-I408 HydrophobicContact CG1-CG1 4.49Å; V183-I408 HydrophobicContact CG2-CG1 4.42Å; Q298-I408 HydrophobicContact CG-CG2 4.13Å; V299-I408 WeakPolarHBondContact O-CA 3.41Å; T300-I408 HydrophobicContact CG2-CD1 3.7Å; T300-I408 WeakPolarHBondContact OG1-CD1 3.45Å; A351-I408 HydrophobicContact CB-CD1 3.54Å; A351-I408 HydrophobicContact CB-CG1 4.47Å; A364-I408 HydrophobicContact CB-CD1 4.39Å; A364-I408 HydrophobicContact CB-CG1 3.86Å; A364-I408 HydrophobicContact CB-CG2 4.17Å; S366-I408 WeakPolarHBondContact CA-O 3.3Å; T367-I408 PolarHBondContact N-O 2.89Å; T367-I408 PolarHBondContact OG1-N 2.88Å; V406-I408 HydrophobicContact CG1-CD1 3.75Å; V406-I408 HydrophobicContact CG1-CG1 4.35Å; I408-Y410 HydrophobicContact CG2-CD2 4.31Å; I408-Y410 HydrophobicContact CG2-CE2 3.56Å
409S96.3Very high92.7Very high23 Ų2322.3 Ų22.316%0.16112%0.119CC..EExtended strand (participates in β ladder)trans-139.7159.5172.359.30000111.2V299V299-S409 PolarHBondContact N-O 2.75Å; V299-S409 PolarHBondContact O-N 2.77Å
410Y97.4Very high92.7Very high6 Ų626.8 Ų26.82%0.02413%0.134CC..EExtended strand (participates in β ladder)trans-128.2148-178.5-68.6-96.2000111.3I296 V297 Q298 I314 L363 A364 S366 I408 F429 L431I296-Y410 HydrophobicContact CG2-CD1 4.09Å; V297-Y410 WeakPolarHBondContact O-CA 3.48Å; Q298-Y410 HydrophobicContact CB-CD1 4.03Å; Q298-Y410 HydrophobicContact CB-CE1 3.6Å; Q298-Y410 HydrophobicContact CG-CD1 4.38Å; Q298-Y410 HydrophobicContact CG-CE1 3.72Å; Q298-Y410 HydrophobicContact CG-CE2 4.43Å; Q298-Y410 PolarHBondContact NE2-OH 3.48Å; I314-Y410 HydrophobicContact CG1-CE1 4.39Å; L363-Y410 WeakPolarHBondContact CB-OH 3.37Å; A364-Y410 WeakPolarHBondContact O-CE2 3.27Å; A364-Y410 PolarHBondContact O-OH 3.17Å; S366-Y410 WeakPolarHBondContact OG-CD2 3.36Å; I408-Y410 HydrophobicContact CG2-CD2 4.31Å; I408-Y410 HydrophobicContact CG2-CE2 3.56Å; Y410-F429 HydrophobicContact CD1-CZ 4.31Å; Y410-F429 HydrophobicContact CG-CZ 4.25Å; Y410-F429 PolarHBondContact O-N 3.4Å; Y410-L431 HydrophobicContact CD2-CB 3.86Å; Y410-L431 HydrophobicContact CE1-CD2 3.93Å; Y410-L431 HydrophobicContact CE2-CB 3.86Å; Y410-L431 HydrophobicContact CE2-CD2 4.06Å; Y410-L431 HydrophobicContact CG-CB 4.35Å
411F97.3Very high92.7Very high2 Ų226.2 Ų26.21%0.00913%0.132CC..EExtended strand (participates in β ladder)trans-146.9149.9166.262-95.5000111.5V297 V299 R413 H426 I427V297-F411 HydrophobicContact CB-CD1 4.49Å; V297-F411 HydrophobicContact CB-CD2 4.18Å; V297-F411 HydrophobicContact CB-CE1 4.13Å; V297-F411 HydrophobicContact CB-CE2 3.78Å; V297-F411 HydrophobicContact CB-CZ 3.74Å; V297-F411 HydrophobicContact CG1-CE1 4.01Å; V297-F411 HydrophobicContact CG1-CE2 4.25Å; V297-F411 HydrophobicContact CG1-CZ 3.71Å; V297-F411 HydrophobicContact CG2-CD2 4.48Å; V297-F411 HydrophobicContact CG2-CE2 3.91Å; V297-F411 HydrophobicContact CG2-CZ 4.2Å; V297-F411 PolarHBondContact N-O 2.91Å; V297-F411 PolarHBondContact O-N 2.77Å; V297-F411 VanDerWaalsContact O-N 3.1Å; V299-F411 HydrophobicContact CG2-CD1 3.72Å; V299-F411 HydrophobicContact CG2-CE1 3.3Å; V299-F411 HydrophobicContact CG2-CZ 4.41Å; F411-R413 HydrophobicContact CD2-CB 4.07Å; F411-R413 HydrophobicContact CE2-CB 3.8Å; F411-R413 HydrophobicContact CE2-CG 4.34Å; F411-H426 HydrophobicContact CB-CB 4.4Å; F411-H426 HydrophobicContact CD2-CB 3.8Å; F411-H426 AromaticContact CD2-CD2 3.76Å; F411-H426 AromaticContact CD2-CG 3.73Å; F411-H426 HydrophobicContact CE2-CB 4.31Å; F411-H426 AromaticContact CE2-CD2 3.49Å; F411-H426 VanDerWaalsContact CE2-CD2 3.49Å; F411-H426 WeakPolarHBondContact CE2-CD2 3.4Å; F411-H426 AromaticContact CE2-CG 3.72Å; F411-H426 AromaticContact CE2-NE2 3.75Å; F411-H426 HydrophobicContact CG-CB 4.24Å; F411-I427 CarbonylContact C-O 3.52Å; F411-I427 WeakPolarHBondContact CA-O 3.25Å; F411-I427 WeakPolarHBondContact CB-O 3.43Å
412V98.2Very high92.9Very high0 Ų031.4 Ų31.40%015%0.151CC..EExtended strand (participates in β ladder)trans-81.4122.8164176.10000108.2I264 V275 V277 I294 A295 I296 L337 V414 H426 I427 F429I264-V412 HydrophobicContact CG2-CG2 4.07Å; V275-V412 HydrophobicContact CG1-CG2 4.03Å; V277-V412 HydrophobicContact CG1-CG1 4Å; V277-V412 HydrophobicContact CG2-CG1 3.76Å; V277-V412 HydrophobicContact CG2-CG2 4.23Å; I294-V412 HydrophobicContact CG2-CG1 4.12Å; A295-V412 CarbonylContact O-C 3.46Å; A295-V412 WeakPolarHBondContact O-CA 3.49Å; I296-V412 HydrophobicContact CG1-CG2 4.5Å; L337-V412 HydrophobicContact CD1-CG1 4.33Å; V412-V414 HydrophobicContact CG1-CG2 4.24Å; V412-H426 CarbonylContact O-C 3.59Å; V412-H426 VanDerWaalsContact O-CA 3.29Å; V412-H426 WeakPolarHBondContact O-CA 2.94Å; V412-I427 HydrophobicContact CB-CB 4.36Å; V412-I427 PolarHBondContact N-O 2.95Å; V412-I427 PolarHBondContact O-N 3.08Å; V412-F429 HydrophobicContact CG2-CD1 4.06Å; V412-F429 HydrophobicContact CG2-CE1 3.9Å
413R98.1Very high93.3Very high26 Ų2628.3 Ų28.310%0.09814%0.136CC..EExtended strand (participates in β ladder)trans-99.8115.5174-174.7171.768.5-156-3.8109.9I294 A295 V297 F411 R415I294-R413 CarbonylContact C-O 3.54Å; I294-R413 WeakPolarHBondContact CA-O 3.35Å; A295-R413 PolarHBondContact N-O 2.95Å; A295-R413 PolarHBondContact O-N 2.88Å; V297-R413 HydrophobicContact CG2-CB 4.01Å; F411-R413 HydrophobicContact CD2-CB 4.07Å; F411-R413 HydrophobicContact CE2-CB 3.8Å; F411-R413 HydrophobicContact CE2-CG 4.34Å; R413-R415 VanDerWaalsContact CZ-NH2 3.34Å
414V98.4Very high93.8Very high0 Ų025 Ų250%012%0.121CC..EExtended strand (participates in β ladder)trans-103.4118.5167.1-174.70000108.5L260 A262 V277 V279 L292 I294 V412 S424 V425L260-V414 HydrophobicContact CD1-CG1 4.04Å; L260-V414 HydrophobicContact CD2-CB 4.45Å; L260-V414 HydrophobicContact CD2-CG1 4.03Å; A262-V414 HydrophobicContact CB-CB 4.27Å; A262-V414 HydrophobicContact CB-CG2 3.66Å; V277-V414 HydrophobicContact CG1-CG2 4.23Å; V279-V414 HydrophobicContact CG1-CG1 4.3Å; V279-V414 HydrophobicContact CG2-CG1 3.9Å; V279-V414 HydrophobicContact CG2-CG2 4.07Å; L292-V414 HydrophobicContact CD1-CG1 3.68Å; I294-V414 HydrophobicContact CG1-CG1 4.26Å; I294-V414 HydrophobicContact CG1-CG2 4.39Å; I294-V414 HydrophobicContact CG2-CG2 4.25Å; V412-V414 HydrophobicContact CG1-CG2 4.24Å; V414-S424 CarbonylContact O-C 3.6Å; V414-S424 WeakPolarHBondContact O-CA 2.88Å; V414-V425 HydrophobicContact CB-CG1 3.74Å; V414-V425 HydrophobicContact CG2-CG1 4.36Å; V414-V425 PolarHBondContact N-O 2.86Å; V414-V425 PolarHBondContact O-N 3.44Å
415R97.6Very high94.2Very high51 Ų5125 Ų2519%0.19212%0.121CC..EExtended strand (participates in β ladder)trans-120.6124.4-175.6179.7-176.3-76.8172.2-7109.4Q293 R413 W417 R422 F423 S424Q293-R415 HydrophobicContact CB-CB 4.38Å; Q293-R415 PolarHBondContact N-O 2.84Å; Q293-R415 PolarHBondContact O-N 2.7Å; R413-R415 VanDerWaalsContact CZ-NH2 3.34Å; R415-W417 HydrophobicContact CB-CH2 4.19Å; R415-W417 HydrophobicContact CB-CZ3 4.07Å; R415-W417 HydrophobicContact CG-CD2 4.48Å; R415-W417 HydrophobicContact CG-CE3 4.1Å; R415-W417 HydrophobicContact CG-CH2 3.49Å; R415-W417 VanDerWaalsContact CG-CH2 3.49Å; R415-W417 HydrophobicContact CG-CZ2 3.85Å; R415-W417 HydrophobicContact CG-CZ3 3.6Å; R415-W417 VanDerWaalsContact O-CZ3 3.25Å; R415-W417 WeakPolarHBondContact O-CZ3 3.3Å; R415-R422 HydrophobicContact CG-CG 3.83Å; R415-F423 WeakPolarHBondContact CA-O 3.48Å; R415-S424 WeakPolarHBondContact CG-OG 3.49Å
416C96.7Very high94.7Very high0 Ų028 Ų280%014%0.136CC..EExtended strand (participates in β ladder)trans-118.2140.7-176.3-178.40000110.2L260 V289 L292 R422 F423L260-C416 HydrophobicContact CD2-CB 4.31Å; V289-C416 WeakPolarHBondContact CG1-SG 3.42Å; L292-C416 HydrophobicContact CD1-CB 4.29Å; C416-R422 WeakPolarHBondContact O-CA 3.47Å; C416-F423 HydrophobicContact CB-CD1 4.47Å; C416-F423 HydrophobicContact CB-CD2 4.45Å; C416-F423 HydrophobicContact CB-CE1 3.89Å; C416-F423 HydrophobicContact CB-CE2 3.88Å; C416-F423 HydrophobicContact CB-CZ 3.56Å; C416-F423 PolarHBondContact N-O 2.91Å; C416-F423 PolarHBondContact O-N 2.93Å; C416-F423 VanDerWaalsContact O-N 3.09Å
417W95.4Very high94.9Very high50 Ų5027.9 Ų27.919%0.18913%0.134CC..EExtended strand (participates in β ladder)trans-118.5129.5173.6-66.8-106.4000110.4R290 K291 Q293 R415 S421 R422R290-W417 PolarHBondContact N-O 3.28Å; K291-W417 HydrophobicContact CB-CB 4.08Å; K291-W417 HydrophobicContact CB-CD2 4.02Å; K291-W417 HydrophobicContact CB-CE3 3.62Å; K291-W417 HydrophobicContact CB-CG 4.26Å; K291-W417 HydrophobicContact CB-CZ3 4.25Å; K291-W417 HydrophobicContact CD-CD2 3.92Å; K291-W417 HydrophobicContact CD-CE3 3.71Å; K291-W417 HydrophobicContact CD-CH2 3.88Å; K291-W417 HydrophobicContact CD-CZ2 4.12Å; K291-W417 HydrophobicContact CD-CZ3 3.69Å; K291-W417 HydrophobicContact CG-CD2 4.22Å; K291-W417 HydrophobicContact CG-CE3 3.62Å; K291-W417 HydrophobicContact CG-CH2 4.4Å; K291-W417 HydrophobicContact CG-CZ3 3.72Å; K291-W417 PolarHBondContact O-N 3.14Å; Q293-W417 HydrophobicContact CB-CH2 3.7Å; Q293-W417 HydrophobicContact CB-CZ3 3.52Å; R415-W417 HydrophobicContact CB-CH2 4.19Å; R415-W417 HydrophobicContact CB-CZ3 4.07Å; R415-W417 HydrophobicContact CG-CD2 4.48Å; R415-W417 HydrophobicContact CG-CE3 4.1Å; R415-W417 HydrophobicContact CG-CH2 3.49Å; R415-W417 VanDerWaalsContact CG-CH2 3.49Å; R415-W417 HydrophobicContact CG-CZ2 3.85Å; R415-W417 HydrophobicContact CG-CZ3 3.6Å; R415-W417 VanDerWaalsContact O-CZ3 3.25Å; R415-W417 WeakPolarHBondContact O-CZ3 3.3Å; W417-S421 WeakPolarHBondContact CA-O 3.39Å; W417-R422 HydrophobicContact CD2-CG 4.37Å
418I91.9Very high95.1Very high1 Ų128.6 Ų28.61%0.00514%0.139CC..EExtended strand (participates in β ladder)trans-134.2118.7177.2179.5167.9000108.3I249 V258 C285 L287 I420 S421 F423I249-I418 HydrophobicContact CD1-CB 4.29Å; I249-I418 HydrophobicContact CD1-CD1 4.05Å; I249-I418 HydrophobicContact CD1-CG1 4.16Å; I249-I418 HydrophobicContact CD1-CG2 3.22Å; V258-I418 HydrophobicContact CG2-CD1 3.41Å; V258-I418 VanDerWaalsContact CG2-CD1 3.41Å; V258-I418 HydrophobicContact CG2-CG2 4.45Å; C285-I418 HydrophobicContact CB-CD1 3.69Å; L287-I418 HydrophobicContact CB-CD1 3.96Å; L287-I418 HydrophobicContact CB-CG1 3.67Å; L287-I418 HydrophobicContact CD1-CG1 4.43Å; L287-I418 WeakPolarHBondContact O-CD1 3.45Å; I418-I420 PolarHBondContact O-N 2.94Å; I418-I420 VanDerWaalsContact O-N 3.09Å; I418-S421 PolarHBondContact N-O 3.02Å; I418-S421 PolarHBondContact O-N 2.7Å; I418-F423 HydrophobicContact CG2-CD1 4.37Å; I418-F423 HydrophobicContact CG2-CE1 3.77Å
419G85.2Confident95.2Very high17 Ų1728.7 Ų28.718%0.17514%0.14CC..THydrogen-bonded Turntrans56.1-112.8-165.300000112R290R290-G419 WeakPolarHBondContact CD-O 3.45Å; R290-G419 PolarHBondContact NH1-O 2.78Å
420I86.8Confident95.2Very high149 Ų14928.1 Ų28.176%0.76414%0.135SC*.THydrogen-bonded Turntrans-104.2-9.2174.360.2171.4000113.2I418I418-I420 PolarHBondContact O-N 2.94Å; I418-I420 VanDerWaalsContact O-N 3.09Å
421S89.9Confident95.3Very high19 Ų1927.9 Ų27.913%0.13313%0.134CC..EExtended strand (participates in β ladder)trans-82.1141.6-177.6-69.80000111W417 I418W417-S421 WeakPolarHBondContact CA-O 3.39Å; I418-S421 PolarHBondContact N-O 3.02Å; I418-S421 PolarHBondContact O-N 2.7Å
422R93Very high95.2Very high132 Ų13227.8 Ų27.850%0.49813%0.133SC..EExtended strand (participates in β ladder)trans-123.3136.9174-178.5-174.266.880.5-4.5109.5R415 C416 W417 S424R415-R422 HydrophobicContact CG-CG 3.83Å; C416-R422 WeakPolarHBondContact O-CA 3.47Å; W417-R422 HydrophobicContact CD2-CG 4.37Å; R422-S424 PolarHBondContact NH1-OG 2.85Å
423F94.9Very high95.1Very high10 Ų1028.9 Ų28.94%0.04414%0.138CC..EExtended strand (participates in β ladder)trans-140.4164.5170.660.3-81.5000110I245 K247 V258 L260 R415 C416 I418I245-F423 HydrophobicContact CG2-CD2 3.9Å; I245-F423 HydrophobicContact CG2-CE2 4.29Å; K247-F423 HydrophobicContact CB-CB 4.25Å; K247-F423 HydrophobicContact CB-CD1 3.94Å; K247-F423 HydrophobicContact CB-CD2 4.09Å; K247-F423 HydrophobicContact CB-CE1 4.29Å; K247-F423 HydrophobicContact CB-CE2 4.41Å; K247-F423 HydrophobicContact CB-CG 3.84Å; K247-F423 HydrophobicContact CD-CB 4.3Å; K247-F423 HydrophobicContact CG-CB 4.09Å; K247-F423 HydrophobicContact CG-CD1 3.81Å; K247-F423 HydrophobicContact CG-CE1 4.43Å; K247-F423 HydrophobicContact CG-CG 3.97Å; V258-F423 HydrophobicContact CB-CE1 4.35Å; V258-F423 HydrophobicContact CB-CZ 3.87Å; V258-F423 HydrophobicContact CG1-CE1 4.49Å; V258-F423 HydrophobicContact CG1-CE2 4.42Å; V258-F423 HydrophobicContact CG1-CZ 3.66Å; L260-F423 HydrophobicContact CB-CE2 3.72Å; L260-F423 HydrophobicContact CD2-CD2 4.2Å; L260-F423 HydrophobicContact CD2-CE2 3.78Å; L260-F423 HydrophobicContact CG-CE2 4.41Å; R415-F423 WeakPolarHBondContact CA-O 3.48Å; C416-F423 HydrophobicContact CB-CD1 4.47Å; C416-F423 HydrophobicContact CB-CD2 4.45Å; C416-F423 HydrophobicContact CB-CE1 3.89Å; C416-F423 HydrophobicContact CB-CE2 3.88Å; C416-F423 HydrophobicContact CB-CZ 3.56Å; C416-F423 PolarHBondContact N-O 2.91Å; C416-F423 PolarHBondContact O-N 2.93Å; C416-F423 VanDerWaalsContact O-N 3.09Å; I418-F423 HydrophobicContact CG2-CD1 4.37Å; I418-F423 HydrophobicContact CG2-CE1 3.77Å
424S96.7Very high94.8Very high24 Ų2430 Ų3017%0.16815%0.149CC..EExtended strand (participates in β ladder)trans-148.1144-175.6-54.20000110.8I245 V414 R415 R422I245-S424 WeakPolarHBondContact CD1-O 3.16Å; V414-S424 CarbonylContact O-C 3.6Å; V414-S424 WeakPolarHBondContact O-CA 2.88Å; R415-S424 WeakPolarHBondContact CG-OG 3.49Å; R422-S424 PolarHBondContact NH1-OG 2.85Å
425V96.9Very high94.3Very high8 Ų832.6 Ų32.65%0.04816%0.161CC..EExtended strand (participates in β ladder)trans-114.1144.2167.2630000108.3E243 I245 L260 A262 V414E243-V425 HydrophobicContact CB-CG2 3.54Å; I245-V425 HydrophobicContact CB-CB 4.41Å; I245-V425 HydrophobicContact CG2-CB 3.9Å; L260-V425 HydrophobicContact CD2-CB 4.38Å; L260-V425 HydrophobicContact CD2-CG1 3.67Å; L260-V425 HydrophobicContact CG-CG1 3.94Å; A262-V425 HydrophobicContact CB-CG1 3.8Å; V414-V425 HydrophobicContact CB-CG1 3.74Å; V414-V425 HydrophobicContact CG2-CG1 4.36Å; V414-V425 PolarHBondContact N-O 2.86Å; V414-V425 PolarHBondContact O-N 3.44Å
426H96.7Very high93.5Very high64 Ų6438 Ų3830%0.29619%0.186SC..EExtended strand (participates in β ladder)trans-120.5127.9179.5-58.2153.2000108.8F411 V412F411-H426 HydrophobicContact CB-CB 4.4Å; F411-H426 HydrophobicContact CD2-CB 3.8Å; F411-H426 AromaticContact CD2-CD2 3.76Å; F411-H426 AromaticContact CD2-CG 3.73Å; F411-H426 HydrophobicContact CE2-CB 4.31Å; F411-H426 AromaticContact CE2-CD2 3.49Å; F411-H426 VanDerWaalsContact CE2-CD2 3.49Å; F411-H426 WeakPolarHBondContact CE2-CD2 3.4Å; F411-H426 AromaticContact CE2-CG 3.72Å; F411-H426 AromaticContact CE2-NE2 3.75Å; F411-H426 HydrophobicContact CG-CB 4.24Å; V412-H426 CarbonylContact O-C 3.59Å; V412-H426 VanDerWaalsContact O-CA 3.29Å; V412-H426 WeakPolarHBondContact O-CA 2.94Å
427I97.1Very high91.8Very high0 Ų045 Ų450%022%0.219CC..EExtended strand (participates in β ladder)trans-109.3111174.9-47.6164.9000107.5V241 E243 A262 I264 F411 V412V241-I427 HydrophobicContact CB-CG2 3.99Å; V241-I427 HydrophobicContact CG1-CG2 3.66Å; E243-I427 HydrophobicContact CB-CG1 4.2Å; E243-I427 HydrophobicContact CG-CG1 4.42Å; E243-I427 HydrophobicContact CG-CG2 4.49Å; A262-I427 VanDerWaalsContact C-CD1 3.41Å; A262-I427 HydrophobicContact CB-CD1 3.67Å; A262-I427 HydrophobicContact CB-CG1 4.32Å; A262-I427 WeakPolarHBondContact O-CD1 3.33Å; I264-I427 HydrophobicContact CD1-CG2 3.69Å; I264-I427 HydrophobicContact CG1-CG2 3.9Å; I264-I427 HydrophobicContact CG2-CD1 4.08Å; F411-I427 CarbonylContact C-O 3.52Å; F411-I427 WeakPolarHBondContact CA-O 3.25Å; F411-I427 WeakPolarHBondContact CB-O 3.43Å; V412-I427 HydrophobicContact CB-CB 4.36Å; V412-I427 PolarHBondContact N-O 2.95Å; V412-I427 PolarHBondContact O-N 3.08Å
428P96.6Very high89.9Confident18 Ų1847.6 Ų47.612%0.11724%0.242CC..EExtended strand (participates in β ladder)trans-72142.617830.8-34000110.6Q383Q383-P428 VanDerWaalsContact O-CB 3.28Å; Q383-P428 WeakPolarHBondContact O-CB 3.36Å; Q383-P428 VanDerWaalsContact O-CG 3.24Å; Q383-P428 WeakPolarHBondContact O-CG 3.48Å
429F97.3Very high87.6Confident3 Ų352.1 Ų52.11%0.01327%0.274CS..EExtended strand (participates in β ladder)trans-148.3162.6171.675-84.7000110.2I264 P267 Y269 V275 I296 Y410 V412 L431I264-F429 HydrophobicContact CD1-CB 3.7Å; I264-F429 HydrophobicContact CD1-CG 4.42Å; P267-F429 CarbonylContact O-C 3.59Å; P267-F429 WeakPolarHBondContact O-CA 3.48Å; Y269-F429 AromaticContact CD2-CD2 3.86Å; Y269-F429 HydrophobicContact CD2-CD2 3.86Å; Y269-F429 HydrophobicContact CD2-CE2 4.47Å; Y269-F429 HydrophobicContact CD2-CG 4.43Å; V275-F429 HydrophobicContact CG2-CE2 4.38Å; V275-F429 HydrophobicContact CG2-CZ 4.46Å; I296-F429 HydrophobicContact CD1-CZ 4.35Å; I296-F429 HydrophobicContact CG1-CZ 4.47Å; I296-F429 HydrophobicContact CG2-CE1 4.18Å; I296-F429 HydrophobicContact CG2-CZ 3.84Å; Y410-F429 HydrophobicContact CD1-CZ 4.31Å; Y410-F429 HydrophobicContact CG-CZ 4.25Å; Y410-F429 PolarHBondContact O-N 3.4Å; V412-F429 HydrophobicContact CG2-CD1 4.06Å; V412-F429 HydrophobicContact CG2-CE1 3.9Å; F429-L431 HydrophobicContact CE2-CB 4.26Å
430L97.7Very high85.2Confident10 Ų1057.1 Ų57.15%0.05230%0.304CS..EExtended strand (participates in β ladder)trans-102.6138.2177-59.4175.5000110.3P267 L268 Y269 S366 I368 L379 M382P267-L430 PolarHBondContact O-N 2.9Å; L268-L430 WeakPolarHBondContact CA-O 3.43Å; L268-L430 HydrophobicContact CB-CB 4.37Å; L268-L430 HydrophobicContact CD1-CB 4.47Å; L268-L430 HydrophobicContact CD1-CD1 4.5Å; L268-L430 HydrophobicContact CG-CB 4.17Å; Y269-L430 PolarHBondContact N-O 3.42Å; S366-L430 WeakPolarHBondContact OG-CA 3.34Å; I368-L430 HydrophobicContact CD1-CD1 4.32Å; I368-L430 HydrophobicContact CD1-CD2 4.3Å; L379-L430 HydrophobicContact CB-CD1 4.08Å; L379-L430 HydrophobicContact CD2-CD1 3.61Å; L379-L430 HydrophobicContact CG-CD1 4.45Å; M382-L430 HydrophobicContact CB-CD2 4.21Å
431L97.9Very high83Confident1 Ų156 Ų561%0.00530%0.298CS..EExtended strand (participates in β ladder)trans-116.2122.2173.1-175.266.6000108.7Y269 T339 L363 S365 S366 Y410 F429Y269-L431 WeakPolarHBondContact O-CA 3.39Å; T339-L431 HydrophobicContact CG2-CD1 4.01Å; L363-L431 HydrophobicContact CB-CD2 4.18Å; L363-L431 HydrophobicContact CD1-CD2 4.13Å; S365-L431 CarbonylContact C-O 3.56Å; S365-L431 VanDerWaalsContact CA-O 3.28Å; S365-L431 WeakPolarHBondContact CA-O 3.33Å; S366-L431 PolarHBondContact N-O 2.91Å; S366-L431 PolarHBondContact OG-N 3.03Å; Y410-L431 HydrophobicContact CD2-CB 3.86Å; Y410-L431 HydrophobicContact CE1-CD2 3.93Å; Y410-L431 HydrophobicContact CE2-CB 3.86Å; Y410-L431 HydrophobicContact CE2-CD2 4.06Å; Y410-L431 HydrophobicContact CG-CB 4.35Å; F429-L431 HydrophobicContact CE2-CB 4.26Å
432M97.1Very high80.3Confident0 Ų060.5 Ų60.50%032%0.32CS..EExtended strand (participates in β ladder)trans-142.3170.7-174.5-57.5-170.978.900112.5I228 L268 Y269 Y270 H271 I368 F375 L379I228-M432 HydrophobicContact CG2-CE 4.33Å; L268-M432 HydrophobicContact CD1-CG 4.49Å; L268-M432 HydrophobicContact CD1-SD 3.78Å; L268-M432 HydrophobicContact CG-SD 4.49Å; Y269-M432 PolarHBondContact O-N 3.08Å; Y270-M432 CarbonylContact C-O 3.56Å; Y270-M432 WeakPolarHBondContact CA-O 3.39Å; Y270-M432 WeakPolarHBondContact CD1-O 3.28Å; H271-M432 PolarHBondContact CD2-O 3.08Å; H271-M432 PolarHBondContact N-O 3.01Å; I368-M432 HydrophobicContact CD1-CE 4.36Å; I368-M432 HydrophobicContact CD1-SD 4.42Å; I368-M432 HydrophobicContact CG1-CE 3.76Å; I368-M432 HydrophobicContact CG1-SD 4.44Å; F375-M432 HydrophobicContact CZ-CE 4.1Å; L379-M432 HydrophobicContact CD2-SD 3.81Å
433Q94.3Very high77.7Confident23 Ų2360.5 Ų60.511%0.10733%0.33CS..EExtended strand (participates in β ladder)trans-91.4141160.9-69.4-165.736.600110.1Y227 G230 H271 E353Y227-Q433 HydrophobicContact CD2-CB 4.21Å; Y227-Q433 HydrophobicContact CE2-CB 3.56Å; Y227-Q433 HydrophobicContact CE2-CG 4.14Å; Y227-Q433 VanDerWaalsContact CZ-CD 3.47Å; Y227-Q433 PolarHBondContact OH-OE1 3.29Å; G230-Q433 PolarHBondContact N-O 2.83Å; H271-Q433 VanDerWaalsContact CD2-CG 3.49Å; H271-Q433 WeakPolarHBondContact CD2-CG 3.5Å; E353-Q433 PolarHBondContact OE2-NE2 2.82Å
434P92Very high74.9Confident50 Ų5067.5 Ų67.533%0.32537%0.368SS..EExtended strand (participates in β ladder)trans-70.6145.917729.4-33.1000110.8Y270 K436Y270-P434 HydrophobicContact CD1-CB 3.76Å; Y270-P434 HydrophobicContact CD1-CG 4.17Å; Y270-P434 VanDerWaalsContact CD1-N 3.34Å; Y270-P434 HydrophobicContact CD2-CB 4.46Å; Y270-P434 HydrophobicContact CE1-CB 3.6Å; Y270-P434 HydrophobicContact CE1-CG 4.5Å; Y270-P434 HydrophobicContact CE2-CB 4.34Å; Y270-P434 HydrophobicContact CG-CB 4.18Å; Y270-P434 HydrophobicContact CG-CG 4.35Å; P434-K436 PolarHBondContact O-N 3.15Å
435E87.9Confident72.1Confident54 Ų5468.9 Ų68.925%0.25238%0.378SS..PPolyproline II helixtrans-60.2126.7165.3-174.1172.5-151.500109.5H34 A229 G230 K232H34-E435 IonicContact CE1-OE1 2.75Å; H34-E435 IonicContact CG-OE1 2.79Å; H34-E435 IonicContact ND1-OE1 3.02Å; H34-E435 PolarHBondContact ND1-OE1 3.26Å; A229-E435 HydrophobicContact CB-CB 4.15Å; G230-E435 WeakPolarHBondContact O-CB 3.35Å; G230-E435 PolarHBondContact O-N 3.06Å; G230-E435 VanDerWaalsContact O-N 3.14Å; K232-E435 WeakPolarHBondContact CE-OE2 3.49Å; K232-E435 HydrophobicContact CG-CB 4.03Å; K232-E435 HydrophobicContact CG-CG 4.26Å; K232-E435 VanDerWaalsContact CG-OE2 3.29Å; K232-E435 WeakPolarHBondContact CG-OE2 3.32Å
436K81Confident69.5Low164 Ų16475.3 Ų75.371%0.71341%0.412SS*.PPolyproline II helixtrans-66.3136.6179.1-70.3-180-178.8171.90109.6P434P434-K436 PolarHBondContact O-N 3.15Å
437E61.9Low67.2Low147 Ų14778 Ų7869%0.68743%0.428SS*.PPolyproline II helixtrans-65.7137167.1-68.9-146.8158.200109.7S439E437-S439 PolarHBondContact O-N 3.23Å
438P54.1Low64.8Low106 Ų10685.1 Ų85.169%0.68847%0.467SS*.  trans-59.9112.7175.323.6-30.9000108.3
439S44Very low62.5Low95 Ų9590.4 Ų90.466%0.66449%0.494SS*.  trans-54.4130.8173.955.40000108.3E437 I441E437-S439 PolarHBondContact O-N 3.23Å; S439-I441 PolarHBondContact O-N 2.83Å
440P36.1Very low60.6Low123 Ų12391.3 Ų91.380%0.79950%0.498SS*.  trans-57.5114.4-176.419.6-30000109.6N442P440-N442 VanDerWaalsContact C-N 3.31Å; P440-N442 PolarHBondContact O-N 3.43Å
441I39.8Very low58.9Low126 Ų12696.9 Ų96.965%0.64652%0.524SS*.  trans-7094.3177.6-52.6175000106.7S439 N443S439-I441 PolarHBondContact O-N 2.83Å; I441-N443 WeakPolarHBondContact CG2-OD1 3.35Å; I441-N443 PolarHBondContact O-N 2.81Å
442N33.7Very low57.5Low112 Ų11298.2 Ų98.260%0.59953%0.531SS*.  trans-70.891.4174.3-154.83.9000109.2R8 P440 N444R8-N442 PolarHBondContact NH1-O 3.17Å; R8-N442 VanDerWaalsContact NH2-N 3.13Å; R8-N442 PolarHBondContact NH2-O 3.48Å; P440-N442 VanDerWaalsContact C-N 3.31Å; P440-N442 PolarHBondContact O-N 3.43Å; N442-N444 PolarHBondContact O-N 2.92Å
443N37.7Very low56.2Low133 Ų133100.8 Ų100.871%0.71155%0.547SS*.  trans-7210.3-173.6-84.7-17.1000115.2I441I441-N443 WeakPolarHBondContact CG2-OD1 3.35Å; I441-N443 PolarHBondContact O-N 2.81Å
444N35.8Very low55Low156 Ų156102.2 Ų102.283%0.83456%0.557SS**  trans-109.529.2-168.1-86.8-2.9000115.8N442N442-N444 PolarHBondContact O-N 2.92Å
445S38.3Very low54.2Low54 Ų54103.9 Ų103.938%0.37856%0.56SS.*SBendtrans-122.9121175.548.60000111.1N447S445-N447 PolarHBondContact O-N 3Å
446N42.6Very low53.5Low143 Ų143106.4 Ų106.477%0.76558%0.58SS**  trans-50129.1173-73.3-21.4000110.5N448N446-N448 PolarHBondContact O-N 2.81Å
447N47.4Very low52.9Low120 Ų12099.1 Ų99.164%0.64255%0.549SS*.G310 helixtrans-58.4-8.5-178.3-79-16.3000115S445 M450S445-N447 PolarHBondContact O-N 3Å; N447-M450 WeakPolarHBondContact O-CG 3.3Å
448N47.9Very low52.7Low150 Ų15097.8 Ų97.880%0.80254%0.542SS*.G310 helixtrans-79.6-23.2-171.8-66.2-9.6000113.9N446N446-N448 PolarHBondContact O-N 2.81Å
449D47.8Very low52.6Low129 Ų12996.3 Ų96.369%0.6954%0.539SS*.G310 helixtrans-10232.8177.8-71.3-28.2000112.3T7T7-D449 WeakPolarHBondContact CG2-O 3.3Å
450M57.9Low53Low22 Ų2292.4 Ų92.411%0.10851%0.511CS..  trans-86.5126.5174.1-61.3-162.494.900109.7R8 F10 K159 N447R8-M450 HydrophobicContact CB-CE 3.32Å; R8-M450 HydrophobicContact CG-CE 4.14Å; R8-M450 WeakPolarHBondContact O-CA 3.31Å; F10-M450 HydrophobicContact CD2-CE 3.88Å; F10-M450 HydrophobicContact CD2-SD 4.48Å; F10-M450 HydrophobicContact CE1-CE 4.46Å; F10-M450 HydrophobicContact CE2-CE 2.98Å; F10-M450 HydrophobicContact CE2-SD 3.59Å; F10-M450 VanDerWaalsContact CE2-SD 3.59Å; F10-M450 HydrophobicContact CZ-CE 3.35Å; F10-M450 HydrophobicContact CZ-SD 4.31Å; K159-M450 PolarHBondContact NZ-O 3.17Å; N447-M450 WeakPolarHBondContact O-CG 3.3Å
451H61.6Low53.2Low127 Ų12789.5 Ų89.559%0.58849%0.491SS*.EExtended strand (participates in β ladder)trans-94.2138.9172.5-112.9-88.7000110T7 R8 C9 F10T7-H451 HydrophobicContact CG2-CB 4.47Å; R8-H451 PolarHBondContact O-N 3.42Å; R8-H451 VanDerWaalsContact O-N 3.17Å; C9-H451 VanDerWaalsContact CA-O 3.31Å; C9-H451 WeakPolarHBondContact CA-O 3.04Å; F10-H451 PolarHBondContact N-O 3.01Å; F10-H451 VanDerWaalsContact N-O 3.07Å
452L68.4Low53.3Low29 Ų2985.4 Ų85.415%0.15247%0.471CS..EExtended strand (participates in β ladder)trans-108.2118175.1-173.474.7000107.1F10 V12 F156 K159 L160F10-L452 HydrophobicContact CB-CD1 4.03Å; V12-L452 HydrophobicContact CB-CD1 4.35Å; V12-L452 HydrophobicContact CG2-CD1 3.53Å; F156-L452 HydrophobicContact CB-CD1 4.16Å; K159-L452 HydrophobicContact CD-CB 4.01Å; L160-L452 HydrophobicContact CD2-CD2 3.81Å; L160-L452 HydrophobicContact CG-CD2 4.09Å
453T69.5Low53.6Low54 Ų5485.6 Ų85.633%0.33147%0.469SS..EExtended strand (participates in β ladder)trans-105.8129.1174-59.30000107.6C9 F10 D11 V12C9-T453 PolarHBondContact SG-OG1 3.27Å; F10-T453 PolarHBondContact O-N 3.05Å; D11-T453 WeakPolarHBondContact CA-O 3.47Å; D11-T453 WeakPolarHBondContact OD1-CB 3.34Å; V12-T453 PolarHBondContact N-O 3.39Å
454T69.5Low53.4Low52 Ų5282.7 Ų82.732%0.31945%0.453SS..EExtended strand (participates in β ladder)trans-108.5120.9-178.3-55.80000109.1V12 K14 F25V12-T454 CarbonylContact O-C 3.53Å; V12-T454 WeakPolarHBondContact O-CA 3.43Å; K14-T454 HydrophobicContact CB-CG2 3.35Å; K14-T454 HydrophobicContact CD-CG2 3.99Å; K14-T454 HydrophobicContact CG-CG2 4.26Å; F25-T454 HydrophobicContact CE1-CG2 4.18Å
455H76.4Confident53.3Low86 Ų8679.4 Ų79.440%0.39843%0.433SS..EExtended strand (participates in β ladder)trans-101.2118.7175.1-62.3-72.7000108.9D11 V12 L13 K14 V457D11-H455 VanDerWaalsContact CG-NE2 3.29Å; D11-H455 IonicContact OD1-CD2 2.68Å; D11-H455 IonicContact OD1-CE1 3.96Å; D11-H455 IonicContact OD1-NE2 3.81Å; D11-H455 PolarHBondContact OD1-NE2 2.9Å; D11-H455 IonicContact OD2-NE2 3.61Å; V12-H455 PolarHBondContact O-N 3.09Å; L13-H455 WeakPolarHBondContact CA-O 3.26Å; L13-H455 HydrophobicContact CD2-CB 4.26Å; K14-H455 PolarHBondContact N-O 2.96Å; H455-V457 PolarHBondContact O-N 2.66Å
456T72.5Confident52.7Low107 Ų10782.4 Ų82.466%0.65645%0.451SS*.EExtended strand (participates in β ladder)trans-73.4119.9178.1-57.60000109.5K14 Q458K14-T456 CarbonylContact O-C 3.47Å; K14-T456 WeakPolarHBondContact O-CA 3.44Å; T456-Q458 PolarHBondContact O-N 3.38Å
457V68Low51.9Low10 Ų1082.7 Ų82.76%0.06145%0.451CS..  trans-71.6109.8170.9176.20000108.3L13 K14 K15 H455 D460L13-V457 HydrophobicContact CB-CG2 3.82Å; L13-V457 HydrophobicContact CD2-CG2 4.05Å; L13-V457 HydrophobicContact CG-CG2 4.42Å; K14-V457 PolarHBondContact O-N 3.02Å; K15-V457 HydrophobicContact CB-CB 4.24Å; K15-V457 HydrophobicContact CD-CB 4.46Å; K15-V457 HydrophobicContact CD-CG1 4.16Å; K15-V457 HydrophobicContact CG-CB 4.37Å; H455-V457 PolarHBondContact O-N 2.66Å; V457-D460 WeakPolarHBondContact CG1-OD2 3.41Å
458Q57.2Low51Low119 Ų11985.4 Ų85.456%0.55646%0.46SS*.  trans-75.4154.3172.4-65.1-168.5-19.600110.7T456 D460T456-Q458 PolarHBondContact O-N 3.38Å; Q458-D460 PolarHBondContact O-N 3.41Å
459A51.8Low50Low75 Ų7585.4 Ų85.462%0.6246%0.46SS*.  trans-2998.8-171.300000115.6V461A459-V461 PolarHBondContact O-N 2.92Å
460D53.5Low49.1Very low13 Ų1387.5 Ų87.57%0.0747%0.465CS..  trans-65.5125.1157-52.8-54.7000107.6K15 R29 I223 V457 Q458 V462K15-D460 VanDerWaalsContact NZ-CB 3.34Å; K15-D460 IonicContact NZ-OD2 2.74Å; K15-D460 PolarHBondContact NZ-OD2 3.32Å; R29-D460 IonicContact NH1-OD1 3.4Å; R29-D460 PolarHBondContact NH1-OD1 2.87Å; R29-D460 IonicContact NH1-OD2 3.49Å; I223-D460 HydrophobicContact CB-CB 4.41Å; I223-D460 HydrophobicContact CD1-CB 3.81Å; I223-D460 HydrophobicContact CG1-CB 3.84Å; V457-D460 WeakPolarHBondContact CG1-OD2 3.41Å; Q458-D460 PolarHBondContact O-N 3.41Å; D460-V462 VanDerWaalsContact C-N 3.28Å; D460-V462 PolarHBondContact O-N 2.76Å
461V39.6Very low47.7Very low62 Ų6291.8 Ų91.838%0.37650%0.498SS..  trans-69.191.2177.2-179.10000107.9R193 A459R193-V461 HydrophobicContact CB-CG1 4.13Å; A459-V461 PolarHBondContact O-N 2.92Å
462V43.3Very low46.2Very low40 Ų4092.8 Ų92.824%0.24250%0.502CS..  trans-122.869.9162.2-170.90000106.1T221 I223 D460 N464T221-V462 HydrophobicContact CG2-CB 4.27Å; T221-V462 HydrophobicContact CG2-CG1 4.2Å; T221-V462 HydrophobicContact CG2-CG2 4.03Å; I223-V462 HydrophobicContact CD1-CG2 3.61Å; I223-V462 HydrophobicContact CG1-CG2 3.49Å; I223-V462 VanDerWaalsContact CG1-CG2 3.49Å; D460-V462 VanDerWaalsContact C-N 3.28Å; D460-V462 PolarHBondContact O-N 2.76Å; V462-N464 HydrophobicContact CG1-CB 3.92Å; V462-N464 VanDerWaalsContact CG1-ND2 3.29Å; V462-N464 WeakPolarHBondContact CG1-ND2 3.24Å; V462-N464 PolarHBondContact O-N 2.85Å
463E39.3Very low44.4Very low116 Ų11699 Ų9954%0.54254%0.536SS..  trans-73.162.6164.5-97.4172.316700108.1R193 K194R193-E463 WeakPolarHBondContact CD-OE2 3.44Å; R193-E463 IonicContact CZ-OE2 3.82Å; R193-E463 VanDerWaalsContact NH1-CD 3.26Å; R193-E463 IonicContact NH1-OE1 2.84Å; R193-E463 PolarHBondContact NH1-OE1 2.81Å; R193-E463 IonicContact NH1-OE2 2.63Å; R193-E463 PolarHBondContact NH1-OE2 3.29Å; K194-E463 WeakPolarHBondContact CE-O 3.4Å; K194-E463 PolarHBondContact NZ-O 3.22Å
464N33.1Very low42.6Very low73 Ų73104.8 Ų104.839%0.3956%0.556SS.*  trans-93.987.3165.9-75.2-15.3000106K194 V462K194-N464 VanDerWaalsContact CE-OD1 3.28Å; K194-N464 WeakPolarHBondContact CE-OD1 3.37Å; K194-N464 PolarHBondContact NZ-OD1 3.48Å; K194-N464 VanDerWaalsContact NZ-OD1 3.07Å; V462-N464 HydrophobicContact CG1-CB 3.92Å; V462-N464 VanDerWaalsContact CG1-ND2 3.29Å; V462-N464 WeakPolarHBondContact CG1-ND2 3.24Å; V462-N464 PolarHBondContact O-N 2.85Å
465Q34.3Very low40.8Very low86 Ų86110.2 Ų110.240%0.40258%0.578SS.*SBendtrans-170149.2137-73.8-136.8-2.700108.6Q214 I467Q214-Q465 PolarHBondContact O-NE2 3.48Å; Q465-I467 PolarHBondContact O-N 2.99Å
466P25.5Very low38.7Very low117 Ų117111.9 Ų111.976%0.7660%0.597SS**  trans-59.3134.8172.7-6.621.6000107.5E468P466-E468 VanDerWaalsContact C-N 3.34Å; P466-E468 PolarHBondContact O-N 2.91Å
467I26.3Very low36.9Very low149 Ų149114.3 Ų114.376%0.76460%0.604SS**  trans-56.7107.8162.4-62.8167.6000104.5Q465 N469Q465-I467 PolarHBondContact O-N 2.99Å; I467-N469 VanDerWaalsContact C-N 3.28Å; I467-N469 PolarHBondContact O-N 3.11Å
468E27Very low35.1Very low178 Ų178122.4 Ų122.483%0.83264%0.641SS**  trans-51.8109.3156.6-96.2-177.6166.100103.8P466 Q470P466-E468 VanDerWaalsContact C-N 3.34Å; P466-E468 PolarHBondContact O-N 2.91Å; E468-Q470 VanDerWaalsContact C-N 3.25Å; E468-Q470 PolarHBondContact O-N 3.09Å
469N27.1Very low34.1Very low150 Ų150123.6 Ų123.680%0.80265%0.65SS**  trans-51.5103172.7-80.6-35.3000105.4I467 S471I467-N469 VanDerWaalsContact C-N 3.28Å; I467-N469 PolarHBondContact O-N 3.11Å; N469-S471 VanDerWaalsContact C-N 3.29Å; N469-S471 PolarHBondContact O-N 2.9Å
470Q28.8Very low33.4Very low172 Ų172125.4 Ų125.480%0.80466%0.655SS**  trans-54.5113.5152.9-72.1-172.54.800102.9E468 E472E468-Q470 VanDerWaalsContact C-N 3.25Å; E468-Q470 PolarHBondContact O-N 3.09Å; Q470-E472 PolarHBondContact O-N 3.12Å
471S29.1Very low32.6Very low112 Ų112133.3 Ų133.378%0.78369%0.692SS**  trans-56.882.3164.248.20000106.4N469 D473N469-S471 VanDerWaalsContact C-N 3.29Å; N469-S471 PolarHBondContact O-N 2.9Å; S471-D473 PolarHBondContact O-N 3Å
472E30.3Very low32.6Very low148 Ų148138.9 Ų138.969%0.69271%0.711SS**  trans-60.8112.3152.3-75.8-172.8160.900104.2Q470 K474Q470-E472 PolarHBondContact O-N 3.12Å; E472-K474 PolarHBondContact O-N 2.99Å
473D30.6Very low32.3Very low160 Ų160144.4 Ų144.486%0.85674%0.739SS**  trans-52.481.6159.3-87.4-37.3000107.8S471 Q475S471-D473 PolarHBondContact O-N 3Å; D473-Q475 PolarHBondContact O-N 3.49Å
474K31.6Very low32.6Very low175 Ų175146.9 Ų146.976%0.76175%0.75SS**  trans-70.494163.1-75.4-171.6178.7-178.80105.2E472E472-K474 PolarHBondContact O-N 2.99Å
475Q31.4Very low32.9Very low167 Ų167155.1 Ų155.178%0.7879%0.794SS**  trans-46.3135.6161.3-73.6-160.1-21.700108.4D473 I477D473-Q475 PolarHBondContact O-N 3.49Å; Q475-I477 PolarHBondContact O-N 3.03Å; Q475-I477 VanDerWaalsContact O-N 3.08Å
476P32.3Very low32.9Very low121 Ų121158.6 Ų158.679%0.78681%0.814SS**  trans-57.8121.5177.222.5-29.8000108.3E478P476-E478 PolarHBondContact O-N 3.02Å
477I33.9Very low33.3Very low157 Ų157160.7 Ų160.781%0.80582%0.817SS**  trans-63.6106.8171.3-64168.3000106.1Q475 I479Q475-I477 PolarHBondContact O-N 3.03Å; Q475-I477 VanDerWaalsContact O-N 3.08Å; I477-I479 PolarHBondContact O-N 3.15Å; I477-I479 VanDerWaalsContact O-N 3.12Å
478E31.3Very low33.7Very low181 Ų181161.4 Ų161.485%0.84682%0.82SS**  trans-59.1112.5166-79-176.8161.600108.1P476 P480P476-E478 PolarHBondContact O-N 3.02Å; E478-P480 WeakPolarHBondContact O-CD 3.33Å
479I36.4Very low34Very low143 Ų143160.4 Ų160.473%0.73382%0.819SS**  trans-73.5119.9167.7-58.2173.3000105.8I477 H481I477-I479 PolarHBondContact O-N 3.15Å; I477-I479 VanDerWaalsContact O-N 3.12Å; I479-H481 PolarHBondContact O-N 2.92Å; I479-H481 VanDerWaalsContact O-N 3.15Å
480P36.5Very low34.5Very low113 Ų113161.1 Ų161.173%0.73482%0.82SS**  trans-66.2119.8175.6-8.422.4000108.2E478 K482E478-P480 WeakPolarHBondContact O-CD 3.33Å; P480-K482 PolarHBondContact O-N 2.85Å
481H36.9Very low34.9Very low180 Ų180160.3 Ų160.383%0.83382%0.821SS**  trans-58.1109.7162-86.1-84.3000107.6I479 D483I479-H481 PolarHBondContact O-N 2.92Å; I479-H481 VanDerWaalsContact O-N 3.15Å; H481-D483 VanDerWaalsContact C-N 3.34Å; H481-D483 PolarHBondContact O-N 3.12Å; H481-D483 VanDerWaalsContact O-N 3.12Å
482K40.1Very low35.3Very low179 Ų179163.8 Ų163.878%0.77882%0.824SS**  trans-69100.2158.2-93.5-175.1173.3-177.80106.7P480 Q484P480-K482 PolarHBondContact O-N 2.85Å; K482-Q484 PolarHBondContact O-N 3.31Å
483D36.9Very low35.6Very low156 Ų156165 Ų16583%0.83483%0.834SS**  trans-60.5115.5146.8-69.9-39000106.8H481H481-D483 VanDerWaalsContact C-N 3.34Å; H481-D483 PolarHBondContact O-N 3.12Å; H481-D483 VanDerWaalsContact O-N 3.12Å
484Q45.2Very low36.1Very low168 Ų168165.4 Ų165.479%0.78583%0.832SS**  trans-116.2132.3157-81.1-168.6-50.300106.8K482K482-Q484 PolarHBondContact O-N 3.31Å
485D40.4Very low36.5Very low245 Ų245164.5 Ų164.5100%1.3184%0.839SS**  trans-45.50176.5-60.3-62.7000115.5

Retrieved 485 of 485 residues in 697.3 ms (Link to these results)

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