A0A077ZH92_TRITR Loading...

RCC1 2 and RCC1 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZH92, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 308 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
1M46.5Very low68.2Low232 Ų23282.1 Ų82.1100%1.14347%0.465SS*.  0140.30-73.9166.9-171.100106.2D3M1-D3 PolarHBondContact O-N 3.29Å
2S49.8Very low69.5Low94 Ų9481 Ų8166%0.65746%0.464SS*.  trans-61124.2165.746.50000107.2C4S2-C4 PolarHBondContact O-N 3.1Å
3D56.7Low70.6Confident88 Ų8887.7 Ų87.747%0.47149%0.489SS..  trans-61.3120.6170-69.3-18.1000107.1M1 E68 S70M1-D3 PolarHBondContact O-N 3.29Å; D3-E68 VanDerWaalsContact O-O 3.06Å; D3-S70 WeakPolarHBondContact OD2-CB 3.4Å; D3-S70 PolarHBondContact OD2-OG 3.21Å
4C56.7Low71.5Confident70 Ų7092.5 Ų92.547%0.47351%0.513SS..  trans-111.4121.5175.4-66.70000107.1S2S2-C4 PolarHBondContact O-N 3.1Å
5S65.8Low72.3Confident53 Ų5388.3 Ų88.337%0.37149%0.488SS..  trans-92.3155.816549.90000109.9V66S5-V66 CarbonylContact C-O 3.58Å; S5-V66 PolarHBondContact OG-O 3.38Å
6V67.5Low73.2Confident48 Ų4891.8 Ų91.829%0.29150%0.497SS..  trans-133.4128.9173.6-178.40000107.1L8 V49 S64 L65V6-L8 HydrophobicContact CG1-CD2 4.31Å; V6-V49 HydrophobicContact CG1-CG2 4.06Å; V6-S64 WeakPolarHBondContact CG1-O 3.33Å; V6-L65 HydrophobicContact CG1-CG 4.36Å; V6-L65 HydrophobicContact CG2-CD2 3.97Å; V6-L65 HydrophobicContact CG2-CG 4.04Å
7E74Confident74Confident122 Ų12294.1 Ų94.157%0.5750%0.501SS*.  trans-92.4120.8177-168.6179.6171.100109.3S9 N62 S64E7-S9 VanDerWaalsContact C-N 3.33Å; E7-S9 PolarHBondContact O-N 3.15Å; E7-N62 PolarHBondContact O-ND2 2.84Å; E7-S64 PolarHBondContact N-O 3.35Å; E7-S64 WeakPolarHBondContact O-CB 3.45Å; E7-S64 VanDerWaalsContact O-O 3.05Å
8L81.4Confident74.7Confident48 Ų4891.8 Ų91.825%0.25149%0.489SS..  trans-85.371.4-175-59.6-179.6000111.3V6 L10 I11 I37 V49V6-L8 HydrophobicContact CG1-CD2 4.31Å; L8-L10 PolarHBondContact O-N 3.29Å; L8-L10 VanDerWaalsContact O-N 3.11Å; L8-I11 HydrophobicContact CB-CB 4.25Å; L8-I11 HydrophobicContact CB-CD1 3.99Å; L8-I11 HydrophobicContact CB-CG1 4.3Å; L8-I11 HydrophobicContact CD1-CD1 3.76Å; L8-I11 HydrophobicContact CG-CD1 4.41Å; L8-I11 PolarHBondContact O-N 2.97Å; L8-I37 HydrophobicContact CD1-CD1 3.67Å; L8-I37 HydrophobicContact CD1-CG1 4.3Å; L8-I37 HydrophobicContact CD1-CG2 4.49Å; L8-V49 HydrophobicContact CD2-CG1 3.64Å
9S82.7Confident75.4Confident68 Ų6888.4 Ų88.448%0.47647%0.473SS..THydrogen-bonded Turntrans-59.7-21.5-178.255.20000115.6E7 I11 N62 S64E7-S9 VanDerWaalsContact C-N 3.33Å; E7-S9 PolarHBondContact O-N 3.15Å; S9-I11 VanDerWaalsContact C-N 3.27Å; S9-N62 PolarHBondContact N-OD1 2.86Å; S9-N62 VanDerWaalsContact N-OD1 3.09Å; S9-N62 PolarHBondContact OG-OD1 3.41Å; S9-S64 WeakPolarHBondContact CB-OG 3.39Å; S9-S64 WeakPolarHBondContact OG-CB 3.28Å; S9-S64 PolarHBondContact OG-OG 3.23Å
10L84.6Confident76.2Confident59 Ų5985.7 Ų85.731%0.30946%0.461SS..THydrogen-bonded Turntrans-80.6-6.5176.6-65.7179.1000113.5L8 V51 E60 N62L8-L10 PolarHBondContact O-N 3.29Å; L8-L10 VanDerWaalsContact O-N 3.11Å; L10-V51 HydrophobicContact CB-CB 4.22Å; L10-V51 HydrophobicContact CB-CG2 4.05Å; L10-V51 HydrophobicContact CD1-CB 4.18Å; L10-V51 HydrophobicContact CD1-CG2 4.24Å; L10-E60 HydrophobicContact CD1-CB 3.7Å; L10-N62 HydrophobicContact CD1-CB 3.99Å; L10-N62 HydrophobicContact CG-CB 4.33Å; L10-N62 PolarHBondContact N-OD1 3.08Å
11I84.2Confident76.8Confident21 Ų2184.3 Ų84.311%0.10845%0.454CS..SBendtrans-114.9130-175.6-60.9176.6000107.8L8 S9 Q15 F35 I37 V51L8-I11 HydrophobicContact CB-CB 4.25Å; L8-I11 HydrophobicContact CB-CD1 3.99Å; L8-I11 HydrophobicContact CB-CG1 4.3Å; L8-I11 HydrophobicContact CD1-CD1 3.76Å; L8-I11 HydrophobicContact CG-CD1 4.41Å; L8-I11 PolarHBondContact O-N 2.97Å; S9-I11 VanDerWaalsContact C-N 3.27Å; I11-Q15 HydrophobicContact CG2-CB 4.08Å; I11-Q15 HydrophobicContact CG2-CG 3.67Å; I11-F35 HydrophobicContact CG2-CD2 4.45Å; I11-I37 HydrophobicContact CD1-CD1 3.41Å; I11-I37 VanDerWaalsContact CD1-CD1 3.41Å; I11-I37 HydrophobicContact CD1-CG1 3.31Å; I11-V51 HydrophobicContact CD1-CG1 4.19Å; I11-V51 HydrophobicContact CD1-CG2 3.96Å; I11-V51 HydrophobicContact CG1-CG1 3.89Å; I11-V51 HydrophobicContact CG1-CG2 4.05Å
12P83.7Confident78.9Confident69 Ų6976.5 Ų76.545%0.44842%0.422SS..  trans-54.6146.2175.2-24.133.5000111.3Q15 F35P12-Q15 HydrophobicContact CB-CG 4.41Å; P12-Q15 WeakPolarHBondContact O-CG 3.4Å; P12-F35 HydrophobicContact CG-CE2 4.17Å; P12-F35 HydrophobicContact CG-CZ 4.31Å
13E83.8Confident80.8Confident168 Ų16872.8 Ų72.879%0.78540%0.395SS*.THydrogen-bonded Turntrans-59.7155.9174.9-65.4-179.7-177.200111.6Q15E13-Q15 VanDerWaalsContact C-N 3.34Å; E13-Q15 PolarHBondContact O-N 3.32Å
14N83Confident82.1Confident155 Ų15577.6 Ų77.683%0.82941%0.407SS*.THydrogen-bonded Turntrans66.425.1174.3-51.7-59000116.1
15Q83.7Confident83.5Confident30 Ų3076.5 Ų76.514%0.1440%0.402CS..PPolyproline II helixtrans-74.7140.5171.4-68.9-86.3-2000111.1I11 P12 E13 T31 D32I11-Q15 HydrophobicContact CG2-CB 4.08Å; I11-Q15 HydrophobicContact CG2-CG 3.67Å; P12-Q15 HydrophobicContact CB-CG 4.41Å; P12-Q15 WeakPolarHBondContact O-CG 3.4Å; E13-Q15 VanDerWaalsContact C-N 3.34Å; E13-Q15 PolarHBondContact O-N 3.32Å; Q15-T31 HydrophobicContact CB-CG2 4.47Å; Q15-T31 PolarHBondContact OE1-OG1 3.38Å; Q15-T31 VanDerWaalsContact OE1-OG1 3.08Å; Q15-D32 PolarHBondContact OE1-OD1 3.33Å; Q15-D32 VanDerWaalsContact OE1-OD1 3.14Å
16K86.4Confident84.6Confident144 Ų14474.3 Ų74.363%0.62639%0.388SS*.PPolyproline II helixtrans-93.4134175.3-62.4179-178.4176.60110L18 T31 D32K16-L18 PolarHBondContact O-N 3.32Å; K16-T31 CarbonylContact O-C 3.57Å; K16-T31 WeakPolarHBondContact O-CA 3.46Å; K16-D32 HydrophobicContact CB-CB 4.24Å; K16-D32 PolarHBondContact N-OD1 3.49Å; K16-D32 PolarHBondContact O-N 2.85Å
17F87.6Confident85.7Confident131 Ų13173.5 Ų73.558%0.57539%0.386SS*.EExtended strand (participates in β ladder)trans-73.1121.8167.2-67.3-79.4000109.4F29 I37F17-F29 HydrophobicContact CD1-CB 3.98Å; F17-F29 HydrophobicContact CE1-CB 4.01Å; F17-I37 HydrophobicContact CD1-CD1 4.48Å; F17-I37 HydrophobicContact CE1-CD1 3.56Å; F17-I37 HydrophobicContact CZ-CD1 4.27Å
18L87Confident86.6Confident52 Ų5268 Ų6827%0.27236%0.36SS..EExtended strand (participates in β ladder)trans-88.6-45.1177.8-69.2-174.5000111.9K16 L30 D32 F101K16-L18 PolarHBondContact O-N 3.32Å; L18-L30 HydrophobicContact CB-CG 4.5Å; L18-L30 PolarHBondContact N-O 3.36Å; L18-D32 HydrophobicContact CD1-CB 4.27Å; L18-D32 HydrophobicContact CD2-CB 3.88Å; L18-D32 HydrophobicContact CG-CB 4Å; L18-F101 HydrophobicContact CD1-CB 4.37Å; L18-F101 HydrophobicContact CD1-CD2 4.28Å
19S87.1Confident87.1Confident28 Ų2868.9 Ų68.920%0.19636%0.362CS..EExtended strand (participates in β ladder)trans-158.3166-177.365.70000111.3L30S19-L30 PolarHBondContact O-N 3.19Å
20C90.7Very high87.5Confident34 Ų3465.6 Ų65.623%0.2334%0.339CS..EExtended strand (participates in β ladder)trans-137.6153168.867.40000109.6Y28 F29C20-Y28 CarbonylContact C-O 3.53Å; C20-Y28 WeakPolarHBondContact CA-O 3.36Å; C20-Y28 VanDerWaalsContact CB-O 3.31Å; C20-Y28 WeakPolarHBondContact CB-O 3.49Å; C20-F29 HydrophobicContact CB-CD1 3.53Å; C20-F29 HydrophobicContact CB-CE1 3.81Å; C20-F29 HydrophobicContact CB-CG 4.27Å
21D90.1Very high87.7Confident57 Ų5762.9 Ų62.931%0.30533%0.325SS..EExtended strand (participates in β ladder)trans-153.5174.2176.3-162-0.7000108.8Y28 L103 C105D21-Y28 PolarHBondContact N-O 3.42Å; D21-Y28 PolarHBondContact O-N 3.19Å; D21-L103 HydrophobicContact CB-CD2 3.84Å; D21-L103 HydrophobicContact CB-CG 4.43Å; D21-C105 HydrophobicContact CB-CB 4.13Å; D21-C105 VanDerWaalsContact OD2-CB 3.27Å; D21-C105 WeakPolarHBondContact OD2-CB 3.2Å; D21-C105 PolarHBondContact OD2-N 2.95Å
22S90.5Very high87.8Confident68 Ų6864 Ų6448%0.47633%0.331SS..EExtended strand (participates in β ladder)trans-143.6147.7-175.962.60000113.2A26 C105S22-A26 WeakPolarHBondContact CA-O 3.45Å; S22-C105 WeakPolarHBondContact O-CB 3.48Å
23T89Confident88Confident16 Ų1668.5 Ų68.510%0.09834%0.341CS..  trans-101178.2163.266.50000108.5A25 A26 Y28 C105 D107 V110T23-A25 PolarHBondContact O-N 3.21Å; T23-A25 VanDerWaalsContact O-N 3.14Å; T23-A25 PolarHBondContact OG1-N 3.26Å; T23-A26 PolarHBondContact N-O 2.94Å; T23-A26 PolarHBondContact OG1-N 2.71Å; T23-A26 VanDerWaalsContact OG1-N 3.13Å; T23-A26 PolarHBondContact OG1-O 3.15Å; T23-Y28 HydrophobicContact CG2-CD2 4.27Å; T23-Y28 HydrophobicContact CG2-CE2 3.52Å; T23-C105 HydrophobicContact CG2-CB 4.08Å; T23-D107 WeakPolarHBondContact CA-O 3.38Å; T23-D107 WeakPolarHBondContact CB-O 3.27Å; T23-V110 HydrophobicContact CG2-CG2 3.53Å
24W84.3Confident88.1Confident189 Ų18960.6 Ų60.672%0.71630%0.304SS*.SBendtrans-62.2-19.5171.672.5-100.9000113.2D107W24-D107 PolarHBondContact N-O 3.44Å
25A85.4Confident88.4Confident46 Ų4655.6 Ų55.638%0.3828%0.275SS..SBendtrans-108.8-22.2-170.700000114.4T23T23-A25 PolarHBondContact O-N 3.21Å; T23-A25 VanDerWaalsContact O-N 3.14Å; T23-A25 PolarHBondContact OG1-N 3.26Å
26A89.2Confident88.8Confident8 Ų854.2 Ų54.27%0.06627%0.268CS..EExtended strand (participates in β ladder)trans-156.7153.4-172.500000112.4S22 T23 Y28 R38 C39S22-A26 WeakPolarHBondContact CA-O 3.45Å; T23-A26 PolarHBondContact N-O 2.94Å; T23-A26 PolarHBondContact OG1-N 2.71Å; T23-A26 VanDerWaalsContact OG1-N 3.13Å; T23-A26 PolarHBondContact OG1-O 3.15Å; A26-Y28 HydrophobicContact CB-CD2 4.43Å; A26-Y28 HydrophobicContact CB-CE2 3.65Å; A26-Y28 WeakPolarHBondContact O-CE2 3.41Å; A26-R38 HydrophobicContact CB-CG 3.69Å; A26-C39 VanDerWaalsContact CA-O 3.31Å; A26-C39 WeakPolarHBondContact CA-O 3.38Å; A26-C39 WeakPolarHBondContact CB-O 3.21Å
27A91.4Very high89Confident31 Ų3147.5 Ų47.526%0.25624%0.239SC..EExtended strand (participates in β ladder)trans-93.6144.6163.900000109.7F29 C39A27-F29 HydrophobicContact CB-CE2 4.04Å; A27-F29 HydrophobicContact CB-CZ 4.33Å; A27-C39 PolarHBondContact N-O 2.91Å; A27-C39 PolarHBondContact O-N 2.89Å
28Y92.6Very high89.3Confident7 Ų743.3 Ų43.33%0.02722%0.22CC..EExtended strand (participates in β ladder)trans-123.6139.3-178.3-64.1-99.1000109.9C20 D21 T23 A26 V36 I37 R38 W59 V110 D126C20-Y28 CarbonylContact C-O 3.53Å; C20-Y28 WeakPolarHBondContact CA-O 3.36Å; C20-Y28 VanDerWaalsContact CB-O 3.31Å; C20-Y28 WeakPolarHBondContact CB-O 3.49Å; D21-Y28 PolarHBondContact N-O 3.42Å; D21-Y28 PolarHBondContact O-N 3.19Å; T23-Y28 HydrophobicContact CG2-CD2 4.27Å; T23-Y28 HydrophobicContact CG2-CE2 3.52Å; A26-Y28 HydrophobicContact CB-CD2 4.43Å; A26-Y28 HydrophobicContact CB-CE2 3.65Å; A26-Y28 WeakPolarHBondContact O-CE2 3.41Å; Y28-V36 HydrophobicContact CD1-CG1 4.05Å; Y28-I37 CarbonylContact C-O 3.48Å; Y28-I37 WeakPolarHBondContact CA-O 3.42Å; Y28-R38 HydrophobicContact CD1-CB 3.95Å; Y28-R38 HydrophobicContact CD1-CG 4.1Å; Y28-R38 HydrophobicContact CE1-CB 3.74Å; Y28-R38 HydrophobicContact CE1-CG 3.52Å; Y28-R38 HydrophobicContact CE2-CG 4.46Å; Y28-R38 WeakPolarHBondContact OH-CD 3.46Å; Y28-W59 HydrophobicContact CD1-CH2 4.16Å; Y28-W59 HydrophobicContact CE1-CH2 4.04Å; Y28-W59 HydrophobicContact CE1-CZ2 4.3Å; Y28-V110 HydrophobicContact CD1-CG1 4.23Å; Y28-V110 HydrophobicContact CD1-CG2 4.11Å; Y28-V110 HydrophobicContact CD2-CG2 4.03Å; Y28-V110 HydrophobicContact CE1-CB 4.35Å; Y28-V110 HydrophobicContact CE1-CG1 4.42Å; Y28-V110 HydrophobicContact CE1-CG2 3.65Å; Y28-V110 HydrophobicContact CE2-CG2 3.61Å; Y28-V110 HydrophobicContact CG-CG1 4.49Å; Y28-V110 HydrophobicContact CG-CG2 4.28Å; Y28-D126 HydrophobicContact CE1-CB 4.32Å; Y28-D126 PolarHBondContact OH-OD2 2.84Å
29F92.1Very high89.4Confident65 Ų6542.2 Ų42.229%0.28522%0.216SC..EExtended strand (participates in β ladder)trans-128.5134.8176.5-53.5-96.8000109.3F17 C20 A27 V36 I37 C39F17-F29 HydrophobicContact CD1-CB 3.98Å; F17-F29 HydrophobicContact CE1-CB 4.01Å; C20-F29 HydrophobicContact CB-CD1 3.53Å; C20-F29 HydrophobicContact CB-CE1 3.81Å; C20-F29 HydrophobicContact CB-CG 4.27Å; A27-F29 HydrophobicContact CB-CE2 4.04Å; A27-F29 HydrophobicContact CB-CZ 4.33Å; F29-V36 CarbonylContact O-C 3.56Å; F29-V36 WeakPolarHBondContact O-CA 3.4Å; F29-I37 HydrophobicContact CB-CB 4.17Å; F29-I37 HydrophobicContact CB-CD1 4.16Å; F29-I37 HydrophobicContact CD2-CB 4.47Å; F29-I37 HydrophobicContact CD2-CG2 4.47Å; F29-I37 PolarHBondContact N-O 3.03Å; F29-I37 PolarHBondContact O-N 2.77Å; F29-C39 HydrophobicContact CE2-CB 4.29Å
30L90.6Very high89.3Confident0 Ų041.9 Ų41.90%021%0.214CC..EExtended strand (participates in β ladder)trans-108.8134.8-179.2-179.965.2000110.1L18 S19 F35 V36 F101 L103 M112L18-L30 HydrophobicContact CB-CG 4.5Å; L18-L30 PolarHBondContact N-O 3.36Å; S19-L30 PolarHBondContact O-N 3.19Å; L30-F35 WeakPolarHBondContact CA-O 3.41Å; L30-V36 HydrophobicContact CD1-CG2 3.85Å; L30-F101 HydrophobicContact CD1-CB 3.89Å; L30-F101 HydrophobicContact CD1-CG 4.44Å; L30-F101 HydrophobicContact CD2-CB 3.47Å; L30-F101 VanDerWaalsContact CD2-CB 3.47Å; L30-F101 HydrophobicContact CG-CB 4Å; L30-L103 HydrophobicContact CD2-CB 4.2Å; L30-M112 HydrophobicContact CD1-SD 4.21Å
31T89.7Confident88.7Confident2 Ų247.2 Ų47.21%0.01223%0.233CC..EExtended strand (participates in β ladder)trans-103.4165.9175.584.10000113.3Q15 K16 Y33 G34 F35 I37Q15-T31 HydrophobicContact CB-CG2 4.47Å; Q15-T31 PolarHBondContact OE1-OG1 3.38Å; Q15-T31 VanDerWaalsContact OE1-OG1 3.08Å; K16-T31 CarbonylContact O-C 3.57Å; K16-T31 WeakPolarHBondContact O-CA 3.46Å; T31-Y33 PolarHBondContact O-N 3.42Å; T31-Y33 PolarHBondContact OG1-N 2.8Å; T31-G34 PolarHBondContact O-N 3.39Å; T31-F35 HydrophobicContact CG2-CB 4.07Å; T31-F35 PolarHBondContact N-O 2.87Å; T31-F35 PolarHBondContact OG1-N 2.79Å; T31-I37 HydrophobicContact CG2-CD1 4.14Å
32D86.7Confident87.9Confident43 Ų4349.2 Ų49.223%0.2325%0.247CC..THydrogen-bonded Turntrans-69.6-11.9179.762.5-24.9000115.1Q15 K16 L18 F101Q15-D32 PolarHBondContact OE1-OD1 3.33Å; Q15-D32 VanDerWaalsContact OE1-OD1 3.14Å; K16-D32 HydrophobicContact CB-CB 4.24Å; K16-D32 PolarHBondContact N-OD1 3.49Å; K16-D32 PolarHBondContact O-N 2.85Å; L18-D32 HydrophobicContact CD1-CB 4.27Å; L18-D32 HydrophobicContact CD2-CB 3.88Å; L18-D32 HydrophobicContact CG-CB 4Å; D32-F101 WeakPolarHBondContact O-CE2 3.23Å
33Y86.8Confident86.9Confident165 Ų16548.6 Ų48.665%0.64724%0.243SC*.THydrogen-bonded Turntrans-99.33.6168.5-72.9-115.7000113.7T31T31-Y33 PolarHBondContact O-N 3.42Å; T31-Y33 PolarHBondContact OG1-N 2.8Å
34G86.4Confident85.8Confident2 Ų255.9 Ų55.92%0.02128%0.282CS..  trans85.617.2175.800000114.6T31 L54 F101T31-G34 PolarHBondContact O-N 3.39Å; G34-L54 VanDerWaalsContact O-CD1 3.25Å; G34-L54 WeakPolarHBondContact O-CD1 3.11Å; G34-F101 VanDerWaalsContact CA-CE2 3.47Å; G34-F101 VanDerWaalsContact CA-CZ 3.42Å
35F89.3Confident85Confident50 Ų5052 Ų5222%0.21928%0.284CS..  trans-74.2135.2168.2-65.4-80.1000109.4I11 P12 L30 T31 V51I11-F35 HydrophobicContact CG2-CD2 4.45Å; P12-F35 HydrophobicContact CG-CE2 4.17Å; P12-F35 HydrophobicContact CG-CZ 4.31Å; L30-F35 WeakPolarHBondContact CA-O 3.41Å; T31-F35 HydrophobicContact CG2-CB 4.07Å; T31-F35 PolarHBondContact N-O 2.87Å; T31-F35 PolarHBondContact OG1-N 2.79Å; F35-V51 HydrophobicContact CB-CG1 4.33Å; F35-V51 HydrophobicContact CD1-CG1 3.89Å
36V91.6Very high84Confident0 Ų053.3 Ų53.30%029%0.286CS..EExtended strand (participates in β ladder)trans-110120.6171.2-172.20000108.6Y28 F29 L30 V51 L52 W59 L103 M112 I125Y28-V36 HydrophobicContact CD1-CG1 4.05Å; F29-V36 CarbonylContact O-C 3.56Å; F29-V36 WeakPolarHBondContact O-CA 3.4Å; L30-V36 HydrophobicContact CD1-CG2 3.85Å; V36-V51 CarbonylContact O-C 3.57Å; V36-V51 WeakPolarHBondContact O-CA 3.31Å; V36-L52 HydrophobicContact CB-CB 3.97Å; V36-L52 HydrophobicContact CB-CD2 4.18Å; V36-L52 HydrophobicContact CG2-CD2 4.1Å; V36-L52 PolarHBondContact O-N 3.09Å; V36-W59 HydrophobicContact CB-CH2 4.1Å; V36-W59 HydrophobicContact CG1-CH2 3.81Å; V36-W59 VanDerWaalsContact O-CZ3 3.28Å; V36-W59 WeakPolarHBondContact O-CZ3 3.42Å; V36-L103 HydrophobicContact CG1-CD1 4.33Å; V36-M112 HydrophobicContact CG2-SD 3.83Å; V36-I125 HydrophobicContact CB-CD1 4.09Å; V36-I125 HydrophobicContact CG1-CD1 3.85Å; V36-I125 HydrophobicContact CG2-CD1 3.74Å
37I91.7Very high83.4Confident3 Ų355.9 Ų55.92%0.01530%0.298CS..EExtended strand (participates in β ladder)trans-100122.6178.7-57.9152.3000107.7L8 I11 F17 Y28 F29 T31 V49 H50 V51L8-I37 HydrophobicContact CD1-CD1 3.67Å; L8-I37 HydrophobicContact CD1-CG1 4.3Å; L8-I37 HydrophobicContact CD1-CG2 4.49Å; I11-I37 HydrophobicContact CD1-CD1 3.41Å; I11-I37 VanDerWaalsContact CD1-CD1 3.41Å; I11-I37 HydrophobicContact CD1-CG1 3.31Å; F17-I37 HydrophobicContact CD1-CD1 4.48Å; F17-I37 HydrophobicContact CE1-CD1 3.56Å; F17-I37 HydrophobicContact CZ-CD1 4.27Å; Y28-I37 CarbonylContact C-O 3.48Å; Y28-I37 WeakPolarHBondContact CA-O 3.42Å; F29-I37 HydrophobicContact CB-CB 4.17Å; F29-I37 HydrophobicContact CB-CD1 4.16Å; F29-I37 HydrophobicContact CD2-CB 4.47Å; F29-I37 HydrophobicContact CD2-CG2 4.47Å; F29-I37 PolarHBondContact N-O 3.03Å; F29-I37 PolarHBondContact O-N 2.77Å; T31-I37 HydrophobicContact CG2-CD1 4.14Å; I37-V49 HydrophobicContact CG2-CG1 3.59Å; I37-H50 CarbonylContact C-O 3.46Å; I37-H50 WeakPolarHBondContact CA-O 3.28Å; I37-V51 HydrophobicContact CG1-CG2 4.5Å
38R92Very high83.1Confident44 Ų4455.5 Ų55.517%0.16629%0.293CS..EExtended strand (participates in β ladder)trans-105.8116.6173.5-178.7-179.272.5-175.80.5109.9A26 Y28 V49 H50 W59 D126A26-R38 HydrophobicContact CB-CG 3.69Å; Y28-R38 HydrophobicContact CD1-CB 3.95Å; Y28-R38 HydrophobicContact CD1-CG 4.1Å; Y28-R38 HydrophobicContact CE1-CB 3.74Å; Y28-R38 HydrophobicContact CE1-CG 3.52Å; Y28-R38 HydrophobicContact CE2-CG 4.46Å; Y28-R38 WeakPolarHBondContact OH-CD 3.46Å; R38-V49 WeakPolarHBondContact O-CA 3.31Å; R38-H50 HydrophobicContact CB-CB 4.45Å; R38-H50 PolarHBondContact N-O 2.83Å; R38-H50 PolarHBondContact NH2-ND1 2.81Å; R38-H50 PolarHBondContact O-N 3Å; R38-W59 HydrophobicContact CB-CE3 4.18Å; R38-W59 HydrophobicContact CB-CH2 3.76Å; R38-W59 HydrophobicContact CB-CZ3 3.46Å; R38-W59 VanDerWaalsContact CB-CZ3 3.46Å; R38-D126 WeakPolarHBondContact CD-OD2 3.12Å; R38-D126 IonicContact CZ-OD2 3.15Å; R38-D126 IonicContact NE-OD2 2.82Å; R38-D126 IonicContact NH1-OD1 3.81Å; R38-D126 PolarHBondContact NH1-OD1 2.91Å; R38-D126 IonicContact NH1-OD2 3.26Å; R38-D126 PolarHBondContact NH1-OD2 3.43Å
39C89.6Confident83Confident28 Ų2855.4 Ų55.419%0.18929%0.293CS..EExtended strand (participates in β ladder)trans-103.5109.5172.8-64.90000109.1A26 A27 F29 I47A26-C39 VanDerWaalsContact CA-O 3.31Å; A26-C39 WeakPolarHBondContact CA-O 3.38Å; A26-C39 WeakPolarHBondContact CB-O 3.21Å; A27-C39 PolarHBondContact N-O 2.91Å; A27-C39 PolarHBondContact O-N 2.89Å; F29-C39 HydrophobicContact CE2-CB 4.29Å; C39-I47 HydrophobicContact CB-CG2 4.21Å
40S86.7Confident82.9Confident22 Ų2254 Ų5415%0.15429%0.287CS..EExtended strand (participates in β ladder)trans-117.9139179.856.50000111.4I47 T48S40-I47 WeakPolarHBondContact O-CA 3.41Å; S40-T48 PolarHBondContact N-O 2.93Å; S40-T48 PolarHBondContact O-N 3.14Å; S40-T48 PolarHBondContact O-OG1 3.38Å; S40-T48 PolarHBondContact OG-OG1 2.65Å
41F77Confident82.9Confident145 Ų14554.2 Ų54.264%0.63629%0.289SS*.EExtended strand (participates in β ladder)trans-83.3120.3176-63.6-87.6000109.8I47F41-I47 HydrophobicContact CD1-CD1 4.46Å; F41-I47 HydrophobicContact CD1-CG1 3.79Å; F41-I47 HydrophobicContact CE1-CD1 3.86Å; F41-I47 HydrophobicContact CE1-CG1 3.69Å; F41-I47 HydrophobicContact CZ-CD1 4.45Å
42V73.6Confident83Confident99 Ų9954.2 Ų54.260%0.629%0.288SS*.EExtended strand (participates in β ladder)trans-87.7-32.9170.9179.30000110.4V46 T48V42-V46 HydrophobicContact CB-CB 4.32Å; V42-V46 HydrophobicContact CB-CG1 4.17Å; V42-V46 PolarHBondContact N-O 3.13Å; V42-T48 HydrophobicContact CG2-CG2 3.45Å; V42-T48 VanDerWaalsContact CG2-CG2 3.45Å
43S68.8Low82.8Confident55 Ų5553.4 Ų53.439%0.38529%0.286SS..EExtended strand (participates in β ladder)trans-153.4175.4172.967.90000109.4S45 V46S43-S45 PolarHBondContact O-N 3.11Å; S43-S45 PolarHBondContact OG-N 3.46Å; S43-V46 PolarHBondContact N-O 3.25Å; S43-V46 PolarHBondContact O-N 2.79Å; S43-V46 WeakPolarHBondContact OG-CB 3.44Å; S43-V46 WeakPolarHBondContact OG-CG2 3.2Å; S43-V46 PolarHBondContact OG-N 3Å
44N67Low82.4Confident170 Ų17048.2 Ų48.291%0.90927%0.269SS*.THydrogen-bonded Turntrans-54.5-12.8176.9-67.6-11.7000114.6
45S66.2Low81.9Confident108 Ų10857.2 Ų57.276%0.75531%0.311SS*.THydrogen-bonded Turntrans-130.2-3.1-177.3-51.10000114.1S43S43-S45 PolarHBondContact O-N 3.11Å; S43-S45 PolarHBondContact OG-N 3.46Å
46V65.3Low81.5Confident73 Ų7358.5 Ų58.544%0.44232%0.323SS..EExtended strand (participates in β ladder)trans-122.7112.9-175.2-178.50000109.2V42 S43V42-V46 HydrophobicContact CB-CB 4.32Å; V42-V46 HydrophobicContact CB-CG1 4.17Å; V42-V46 PolarHBondContact N-O 3.13Å; S43-V46 PolarHBondContact N-O 3.25Å; S43-V46 PolarHBondContact O-N 2.79Å; S43-V46 WeakPolarHBondContact OG-CB 3.44Å; S43-V46 WeakPolarHBondContact OG-CG2 3.2Å; S43-V46 PolarHBondContact OG-N 3Å
47I77.3Confident81Confident61 Ų6159.1 Ų59.131%0.31333%0.329SS..EExtended strand (participates in β ladder)trans-100131.7170.1-58.6169.5000107.2C39 S40 F41 V49C39-I47 HydrophobicContact CB-CG2 4.21Å; S40-I47 WeakPolarHBondContact O-CA 3.41Å; F41-I47 HydrophobicContact CD1-CD1 4.46Å; F41-I47 HydrophobicContact CD1-CG1 3.79Å; F41-I47 HydrophobicContact CE1-CD1 3.86Å; F41-I47 HydrophobicContact CE1-CG1 3.69Å; F41-I47 HydrophobicContact CZ-CD1 4.45Å; I47-V49 HydrophobicContact CG2-CG2 4.25Å
48T84.8Confident80.7Confident24 Ų2465.7 Ų65.715%0.14736%0.358CS..EExtended strand (participates in β ladder)trans-103.5132.5166.452.50000109.4S40 V42S40-T48 PolarHBondContact N-O 2.93Å; S40-T48 PolarHBondContact O-N 3.14Å; S40-T48 PolarHBondContact O-OG1 3.38Å; S40-T48 PolarHBondContact OG-OG1 2.65Å; V42-T48 HydrophobicContact CG2-CG2 3.45Å; V42-T48 VanDerWaalsContact CG2-CG2 3.45Å
49V89Confident80.5Confident5 Ų565.4 Ų65.43%0.0336%0.357CS..EExtended strand (participates in β ladder)trans-107.8125.8176.5-175.30000109.3V6 L8 I37 R38 I47 N62V6-V49 HydrophobicContact CG1-CG2 4.06Å; L8-V49 HydrophobicContact CD2-CG1 3.64Å; I37-V49 HydrophobicContact CG2-CG1 3.59Å; R38-V49 WeakPolarHBondContact O-CA 3.31Å; I47-V49 HydrophobicContact CG2-CG2 4.25Å; V49-N62 HydrophobicContact CB-CB 4.26Å; V49-N62 HydrophobicContact CG1-CB 4.26Å; V49-N62 PolarHBondContact O-N 2.87Å
50H90.4Very high80.5Confident34 Ų3468.2 Ų68.216%0.15737%0.367CS..EExtended strand (participates in β ladder)trans-118.3146.9171.5-59.384.3000109.4I37 R38 W59 E60I37-H50 CarbonylContact C-O 3.46Å; I37-H50 WeakPolarHBondContact CA-O 3.28Å; R38-H50 HydrophobicContact CB-CB 4.45Å; R38-H50 PolarHBondContact N-O 2.83Å; R38-H50 PolarHBondContact NH2-ND1 2.81Å; R38-H50 PolarHBondContact O-N 3Å; H50-W59 HydrophobicContact CB-CB 4.48Å; H50-W59 HydrophobicContact CB-CE3 3.76Å; H50-W59 HydrophobicContact CB-CZ3 4.44Å; H50-E60 CarbonylContact C-O 3.46Å; H50-E60 WeakPolarHBondContact CA-O 3.47Å
51V91.3Very high80.5Confident6 Ų672.7 Ų72.74%0.03638%0.384CS..EExtended strand (participates in β ladder)trans-120.4130.9177.5-178.10000108.2L10 I11 F35 V36 I37 E60L10-V51 HydrophobicContact CB-CB 4.22Å; L10-V51 HydrophobicContact CB-CG2 4.05Å; L10-V51 HydrophobicContact CD1-CB 4.18Å; L10-V51 HydrophobicContact CD1-CG2 4.24Å; I11-V51 HydrophobicContact CD1-CG1 4.19Å; I11-V51 HydrophobicContact CD1-CG2 3.96Å; I11-V51 HydrophobicContact CG1-CG1 3.89Å; I11-V51 HydrophobicContact CG1-CG2 4.05Å; F35-V51 HydrophobicContact CB-CG1 4.33Å; F35-V51 HydrophobicContact CD1-CG1 3.89Å; V36-V51 CarbonylContact O-C 3.57Å; V36-V51 WeakPolarHBondContact O-CA 3.31Å; I37-V51 HydrophobicContact CG1-CG2 4.5Å; V51-E60 PolarHBondContact N-O 2.8Å; V51-E60 PolarHBondContact O-N 2.87Å
52L90.7Very high80.7Confident1 Ų166 Ų661%0.00535%0.354CS..EExtended strand (participates in β ladder)trans-80.4123177.3179.663.3000110.4V36 L54 W59 I125 V133V36-L52 HydrophobicContact CB-CB 3.97Å; V36-L52 HydrophobicContact CB-CD2 4.18Å; V36-L52 HydrophobicContact CG2-CD2 4.1Å; V36-L52 PolarHBondContact O-N 3.09Å; L52-L54 HydrophobicContact CD2-CD2 3.57Å; L52-L54 HydrophobicContact CD2-CG 4.38Å; L52-L54 HydrophobicContact CG-CD2 4.07Å; L52-L54 HydrophobicContact CG-CG 4.5Å; L52-W59 HydrophobicContact CB-CD2 4.12Å; L52-W59 HydrophobicContact CB-CE3 3.9Å; L52-W59 HydrophobicContact CB-CH2 3.9Å; L52-W59 HydrophobicContact CB-CZ2 4.09Å; L52-W59 HydrophobicContact CB-CZ3 3.8Å; L52-W59 HydrophobicContact CD1-CD2 4.17Å; L52-W59 HydrophobicContact CD1-CG 4.33Å; L52-W59 HydrophobicContact CD1-CZ2 4.42Å; L52-W59 HydrophobicContact CD2-CZ2 4.37Å; L52-I125 HydrophobicContact CD2-CB 3.72Å; L52-I125 HydrophobicContact CD2-CD1 3.88Å; L52-I125 HydrophobicContact CD2-CG1 4.41Å; L52-I125 HydrophobicContact CD2-CG2 3.8Å; L52-V133 HydrophobicContact CD1-CG2 3.78Å; L52-V133 HydrophobicContact CD2-CG2 4.34Å
53C83.6Confident80.6Confident26 Ų2667 Ų6718%0.17636%0.357CS..EExtended strand (participates in β ladder)trans-93.6102.6166.9177.30000108.9E55 T56 G57 K58C53-E55 VanDerWaalsContact C-N 3.29Å; C53-E55 PolarHBondContact O-N 3.38Å; C53-T56 WeakPolarHBondContact CB-OG1 3.19Å; C53-T56 PolarHBondContact O-N 3.42Å; C53-T56 PolarHBondContact O-OG1 3.07Å; C53-T56 PolarHBondContact SG-OG1 2.76Å; C53-G57 WeakPolarHBondContact O-CA 3.39Å; C53-G57 PolarHBondContact O-N 2.89Å; C53-K58 PolarHBondContact N-O 2.78Å; C53-K58 PolarHBondContact O-N 2.92Å
54L79.2Confident80.3Confident56 Ų5666.4 Ų66.429%0.29335%0.352SS..THydrogen-bonded Turntrans-63.5-32.7-177.2-71.9174.7000113.3G34 L52 T56 G57 M112G34-L54 VanDerWaalsContact O-CD1 3.25Å; G34-L54 WeakPolarHBondContact O-CD1 3.11Å; L52-L54 HydrophobicContact CD2-CD2 3.57Å; L52-L54 HydrophobicContact CD2-CG 4.38Å; L52-L54 HydrophobicContact CG-CD2 4.07Å; L52-L54 HydrophobicContact CG-CG 4.5Å; L54-T56 VanDerWaalsContact C-N 3.33Å; L54-T56 PolarHBondContact O-N 3.42Å; L54-G57 PolarHBondContact O-N 2.81Å; L54-M112 HydrophobicContact CD1-CE 3.62Å; L54-M112 HydrophobicContact CD1-SD 4.14Å; L54-M112 HydrophobicContact CD2-CE 3.4Å; L54-M112 HydrophobicContact CD2-SD 4.25Å; L54-M112 HydrophobicContact CG-CE 4.15Å
55E75.7Confident79.8Confident191 Ų19162.6 Ų62.689%0.89333%0.331SS*.THydrogen-bonded Turntrans-63.5-40.2178.1-64.2-177.2173.200111.9C53C53-E55 VanDerWaalsContact C-N 3.29Å; C53-E55 PolarHBondContact O-N 3.38Å
56T81Confident79.1Confident77 Ų7760.6 Ų60.647%0.47232%0.315SS..THydrogen-bonded Turntrans-90.9-16.1179.265.50000112.9C53 L54 K58C53-T56 WeakPolarHBondContact CB-OG1 3.19Å; C53-T56 PolarHBondContact O-N 3.42Å; C53-T56 PolarHBondContact O-OG1 3.07Å; C53-T56 PolarHBondContact SG-OG1 2.76Å; L54-T56 VanDerWaalsContact C-N 3.33Å; L54-T56 PolarHBondContact O-N 3.42Å; T56-K58 PolarHBondContact O-N 3.33Å; T56-K58 PolarHBondContact OG1-N 2.96Å
57G81.3Confident78.2Confident14 Ų1461.7 Ų61.714%0.14432%0.322CS..THydrogen-bonded Turntrans65.320-171.900000113.6C53 L54 V133C53-G57 WeakPolarHBondContact O-CA 3.39Å; C53-G57 PolarHBondContact O-N 2.89Å; L54-G57 PolarHBondContact O-N 2.81Å; G57-V133 PolarHBondContact O-N 3.4Å
58K84.8Confident76.7Confident140 Ų14065.1 Ų65.161%0.60934%0.336SS*.EExtended strand (participates in β ladder)trans-118146.7-174.7-67.2-179-178.5178.30112.1C53 T56C53-K58 PolarHBondContact N-O 2.78Å; C53-K58 PolarHBondContact O-N 2.92Å; T56-K58 PolarHBondContact O-N 3.33Å; T56-K58 PolarHBondContact OG1-N 2.96Å
59W88.5Confident74.7Confident39 Ų3975.4 Ų75.415%0.14837%0.373CS..EExtended strand (participates in β ladder)trans-83.6126.6169.5-70.593.2000110.5Y28 V36 R38 H50 L52 I125 D126Y28-W59 HydrophobicContact CD1-CH2 4.16Å; Y28-W59 HydrophobicContact CE1-CH2 4.04Å; Y28-W59 HydrophobicContact CE1-CZ2 4.3Å; V36-W59 HydrophobicContact CB-CH2 4.1Å; V36-W59 HydrophobicContact CG1-CH2 3.81Å; V36-W59 VanDerWaalsContact O-CZ3 3.28Å; V36-W59 WeakPolarHBondContact O-CZ3 3.42Å; R38-W59 HydrophobicContact CB-CE3 4.18Å; R38-W59 HydrophobicContact CB-CH2 3.76Å; R38-W59 HydrophobicContact CB-CZ3 3.46Å; R38-W59 VanDerWaalsContact CB-CZ3 3.46Å; H50-W59 HydrophobicContact CB-CB 4.48Å; H50-W59 HydrophobicContact CB-CE3 3.76Å; H50-W59 HydrophobicContact CB-CZ3 4.44Å; L52-W59 HydrophobicContact CB-CD2 4.12Å; L52-W59 HydrophobicContact CB-CE3 3.9Å; L52-W59 HydrophobicContact CB-CH2 3.9Å; L52-W59 HydrophobicContact CB-CZ2 4.09Å; L52-W59 HydrophobicContact CB-CZ3 3.8Å; L52-W59 HydrophobicContact CD1-CD2 4.17Å; L52-W59 HydrophobicContact CD1-CG 4.33Å; L52-W59 HydrophobicContact CD1-CZ2 4.42Å; L52-W59 HydrophobicContact CD2-CZ2 4.37Å; W59-I125 HydrophobicContact CZ2-CD1 4.5Å; W59-I125 PolarHBondContact NE1-O 2.91Å; W59-D126 HydrophobicContact CZ2-CB 4.11Å
60E88.5Confident72.7Confident86 Ų8678.7 Ų78.740%0.40240%0.395SS..EExtended strand (participates in β ladder)trans-105.6136.9175.6-65.9-178.1-173.200110L10 H50 V51L10-E60 HydrophobicContact CD1-CB 3.7Å; H50-E60 CarbonylContact C-O 3.46Å; H50-E60 WeakPolarHBondContact CA-O 3.47Å; V51-E60 PolarHBondContact N-O 2.8Å; V51-E60 PolarHBondContact O-N 2.87Å
61K86.2Confident70.2Confident117 Ų11785.7 Ų85.751%0.50943%0.428SS..EExtended strand (participates in β ladder)trans-82.9122.9-179.7-174.8-178.3173.6-173.70110.1N63K61-N63 WeakPolarHBondContact CD-OD1 3.04Å; K61-N63 WeakPolarHBondContact CE-OD1 3.31Å; K61-N63 WeakPolarHBondContact CG-OD1 3.44Å; K61-N63 PolarHBondContact O-N 2.81Å
62N82Confident67.9Low3 Ų389.5 Ų89.52%0.01646%0.46CS..EExtended strand (participates in β ladder)trans-79.6109.4172.7-172.257.9000109.4E7 S9 L10 V49E7-N62 PolarHBondContact O-ND2 2.84Å; S9-N62 PolarHBondContact N-OD1 2.86Å; S9-N62 VanDerWaalsContact N-OD1 3.09Å; S9-N62 PolarHBondContact OG-OD1 3.41Å; L10-N62 HydrophobicContact CD1-CB 3.99Å; L10-N62 HydrophobicContact CG-CB 4.33Å; L10-N62 PolarHBondContact N-OD1 3.08Å; V49-N62 HydrophobicContact CB-CB 4.26Å; V49-N62 HydrophobicContact CG1-CB 4.26Å; V49-N62 PolarHBondContact O-N 2.87Å
63N71.5Confident65.8Low121 Ų12197.3 Ų97.365%0.64750%0.501SS*.  trans-90.4-5-174.1-68.3-38.5000114K61 L65K61-N63 WeakPolarHBondContact CD-OD1 3.04Å; K61-N63 WeakPolarHBondContact CE-OD1 3.31Å; K61-N63 WeakPolarHBondContact CG-OD1 3.44Å; K61-N63 PolarHBondContact O-N 2.81Å; N63-L65 PolarHBondContact O-N 3.11Å; N63-L65 VanDerWaalsContact O-N 3.15Å
64S61.4Low64Low42 Ų42103.5 Ų103.529%0.29453%0.532SS..  trans-84.686.8-178.1-57.40000110.6V6 E7 S9V6-S64 WeakPolarHBondContact CG1-O 3.33Å; E7-S64 PolarHBondContact N-O 3.35Å; E7-S64 WeakPolarHBondContact O-CB 3.45Å; E7-S64 VanDerWaalsContact O-O 3.05Å; S9-S64 WeakPolarHBondContact CB-OG 3.39Å; S9-S64 WeakPolarHBondContact OG-CB 3.28Å; S9-S64 PolarHBondContact OG-OG 3.23Å
65L57.9Low62.2Low90 Ų90106.4 Ų106.447%0.47155%0.554SS.*  trans-104.3106172.6-117.5139.6000108.3V6 N63V6-L65 HydrophobicContact CG1-CG 4.36Å; V6-L65 HydrophobicContact CG2-CD2 3.97Å; V6-L65 HydrophobicContact CG2-CG 4.04Å; N63-L65 PolarHBondContact O-N 3.11Å; N63-L65 VanDerWaalsContact O-N 3.15Å
66V50.5Low60.7Low66 Ų66102.6 Ų102.640%0.454%0.544SS..  trans-102.8106.8174.8-175.90000107.8S5 E68S5-V66 CarbonylContact C-O 3.58Å; S5-V66 PolarHBondContact OG-O 3.38Å; V66-E68 HydrophobicContact CG1-CG 4.09Å; V66-E68 PolarHBondContact O-N 3.08Å; V66-E68 VanDerWaalsContact O-N 3.15Å
67T47.2Very low58.9Low97 Ų97104.3 Ų104.360%0.59556%0.559SS**  trans-80.692.8172.1-50.80000109.2
68E46.1Very low57.1Low133 Ų133109.5 Ų109.562%0.62158%0.584SS**  trans-86.1133163.4-75.5-161.9146.500110.7D3 V66 S70D3-E68 VanDerWaalsContact O-O 3.06Å; V66-E68 HydrophobicContact CG1-CG 4.09Å; V66-E68 PolarHBondContact O-N 3.08Å; V66-E68 VanDerWaalsContact O-N 3.15Å; E68-S70 PolarHBondContact O-N 3.01Å; E68-S70 VanDerWaalsContact O-N 3.1Å
69R42.1Very low54.8Low240 Ų240109.8 Ų109.891%0.90659%0.591SS**  trans-75.295.9164.9-77.9-177177.4-178.8-0.4108.1Q71R69-Q71 PolarHBondContact O-N 3.32Å
70S46Very low52.3Low73 Ų73116.4 Ų116.451%0.5162%0.621SS.*  trans-59.2125.7159.4176.50000108.2D3 E68 A72D3-S70 WeakPolarHBondContact OD2-CB 3.4Å; D3-S70 PolarHBondContact OD2-OG 3.21Å; E68-S70 PolarHBondContact O-N 3.01Å; E68-S70 VanDerWaalsContact O-N 3.1Å; S70-A72 PolarHBondContact O-N 2.82Å
71Q38.8Very low49.6Very low181 Ų181117.5 Ų117.585%0.84664%0.636SS**  trans-65.8116.4165.2-80.3-178.8-16.400106.7R69 L73R69-Q71 PolarHBondContact O-N 3.32Å; Q71-L73 PolarHBondContact O-N 2.75Å
72A43.3Very low47Very low86 Ų86120 Ų12071%0.71165%0.649SS**  trans-51.8113.9175.300000109.1S70 L74S70-A72 PolarHBondContact O-N 2.82Å; A72-L74 PolarHBondContact O-N 3.09Å
73L46.9Very low44.5Very low165 Ų165125.6 Ų125.686%0.86468%0.678SS**  trans-56.6128.5163.1-77.2160.6000106.6Q71Q71-L73 PolarHBondContact O-N 2.75Å
74L44.3Very low42.5Very low157 Ų157123 Ų12382%0.82268%0.68SS**  trans-50.8128.7175.2-80.8158.5000108.1A72 T76A72-L74 PolarHBondContact O-N 3.09Å; L74-T76 PolarHBondContact O-N 3.25Å
75P41.3Very low41Very low116 Ų116126.7 Ų126.775%0.75371%0.706SS**  trans-59.7113.3179.322.8-29.7000107.6S77P75-S77 PolarHBondContact O-N 2.92Å
76T44.5Very low39.5Very low111 Ų111128.6 Ų128.668%0.68171%0.711SS**  trans-58.4125159.447.20000105.4L74 D78L74-T76 PolarHBondContact O-N 3.25Å; T76-D78 PolarHBondContact O-N 2.84Å
77S43.3Very low38.5Very low113 Ų113130.7 Ų130.779%0.7972%0.723SS**SBendtrans-6215.7-165.752.30000116.4P75P75-S77 PolarHBondContact O-N 2.92Å
78D43.3Very low37.6Very low124 Ų124130.8 Ų130.866%0.66372%0.719SS**  trans-128.445-165.6-59.3-22.2000112T76T76-D78 PolarHBondContact O-N 2.84Å
79L37.4Very low36.9Very low146 Ų146128.1 Ų128.176%0.76471%0.713SS**SBendtrans-153.1101.1168.1-93.4122.3000114.7
80F36Very low36.6Very low177 Ų177119.9 Ų119.978%0.77669%0.69SS**  trans17.4105.9152.4-55.2-83.5000120.4H82F80-H82 PolarHBondContact O-N 3.39Å
81P30.9Very low35.9Very low110 Ų110122.3 Ų122.371%0.71470%0.697SS**SBendtrans-9747.9174.139.1-33.2000112.9
82H32.9Very low35.6Very low169 Ų169118 Ų11878%0.78269%0.687SS**  trans-149.275.1174.2-59.2-63.6000112.1F80F80-H82 PolarHBondContact O-N 3.39Å
83L29.1Very low35.3Very low121 Ų121116 Ų11663%0.63467%0.665SS**  trans-114.880.3171.3-68.5170.3000109.8F86L83-F86 HydrophobicContact CB-CD2 3.95Å; L83-F86 HydrophobicContact CB-CE2 4.49Å; L83-F86 HydrophobicContact CD1-CD2 3.53Å; L83-F86 HydrophobicContact CD1-CE2 3.37Å; L83-F86 HydrophobicContact CD2-CD2 3.28Å; L83-F86 HydrophobicContact CD2-CE2 3.12Å; L83-F86 HydrophobicContact CD2-CZ 4.28Å; L83-F86 HydrophobicContact CG-CD2 3.7Å; L83-F86 HydrophobicContact CG-CE2 3.73Å
84G30.3Very low34.6Very low67 Ų67113.3 Ų113.369%0.69165%0.652SS**SBendtrans-72.1128.7158.500000108.8F86G84-F86 PolarHBondContact O-N 2.89Å
85S29.2Very low34.5Very low118 Ų118110.5 Ų110.583%0.82565%0.646SS**SBendtrans32.479.1176.565.90000114.5V87S85-V87 PolarHBondContact O-N 3.12Å
86F27.2Very low34.5Very low131 Ų131113.8 Ų113.858%0.57565%0.651SS**  trans-64.7108.5168.6-133.1-77000108L83 G84 I88L83-F86 HydrophobicContact CB-CD2 3.95Å; L83-F86 HydrophobicContact CB-CE2 4.49Å; L83-F86 HydrophobicContact CD1-CD2 3.53Å; L83-F86 HydrophobicContact CD1-CE2 3.37Å; L83-F86 HydrophobicContact CD2-CD2 3.28Å; L83-F86 HydrophobicContact CD2-CE2 3.12Å; L83-F86 HydrophobicContact CD2-CZ 4.28Å; L83-F86 HydrophobicContact CG-CD2 3.7Å; L83-F86 HydrophobicContact CG-CE2 3.73Å; G84-F86 PolarHBondContact O-N 2.89Å; F86-I88 HydrophobicContact CD1-CG1 3.99Å; F86-I88 PolarHBondContact O-N 2.95Å
87V28.9Very low34.7Very low109 Ų109112 Ų11266%0.66164%0.64SS**  trans-69.6110148.61760000103.4S85 P89S85-V87 PolarHBondContact O-N 3.12Å; V87-P89 WeakPolarHBondContact O-CD 3.4Å
88I28.3Very low35.5Very low100 Ų100112.6 Ų112.651%0.51363%0.634SS.*  trans-75103.3165.3-60.1173000103.8F86 V90F86-I88 HydrophobicContact CD1-CG1 3.99Å; F86-I88 PolarHBondContact O-N 2.95Å; I88-V90 VanDerWaalsContact C-N 3.33Å; I88-V90 HydrophobicContact CG2-CG2 4.47Å; I88-V90 PolarHBondContact O-N 3.33Å
89P31.4Very low36.5Very low77 Ų77107.8 Ų107.850%0.561%0.609SS.*  trans-59.3112.3158.127.7-30.8000104.3V87 D91V87-P89 WeakPolarHBondContact O-CD 3.4Å; P89-D91 PolarHBondContact O-N 3.36Å
90V34.8Very low38.7Very low67 Ų67106.6 Ų106.641%0.40660%0.598SS.*  trans-68.384.2158.6-178.50000104I88 S92I88-V90 VanDerWaalsContact C-N 3.33Å; I88-V90 HydrophobicContact CG2-CG2 4.47Å; I88-V90 PolarHBondContact O-N 3.33Å; V90-S92 PolarHBondContact O-N 3.34Å
91D31.9Very low41.3Very low124 Ų12499 Ų9966%0.66357%0.565SS**  trans-50.8127.9167.4-75.7-33.4000107.2P89 V93P89-D91 PolarHBondContact O-N 3.36Å; D91-V93 PolarHBondContact O-N 2.84Å
92S32.5Very low44.2Very low91 Ų9194.7 Ų94.764%0.63654%0.536SS*.  trans45.574.3153.164.40000115.3V90 D94V90-S92 PolarHBondContact O-N 3.34Å; S92-D94 PolarHBondContact O-N 3.4Å; S92-D94 VanDerWaalsContact O-N 3.13Å
93V36.1Very low47.1Very low43 Ų4387.3 Ų87.326%0.26150%0.501SS..  -62.8102.9127.1175.20000104.1D91 S95 T97 T99D91-V93 PolarHBondContact O-N 2.84Å; V93-S95 PolarHBondContact O-N 2.72Å; V93-S95 VanDerWaalsContact O-N 3.16Å; V93-T97 WeakPolarHBondContact CG1-OG1 3.27Å; V93-T99 HydrophobicContact CB-CG2 4.44Å; V93-T99 HydrophobicContact CG1-CG2 3.35Å; V93-T99 HydrophobicContact CG2-CG2 4.2Å
94D33.2Very low50.1Low109 Ų10981.6 Ų81.658%0.58347%0.472SS*.  trans-37.7128.2166.6-87.9-37000107.1S92 Q96 T97S92-D94 PolarHBondContact O-N 3.4Å; S92-D94 VanDerWaalsContact O-N 3.13Å; D94-Q96 PolarHBondContact O-N 3.29Å; D94-T97 HydrophobicContact CB-CG2 4.21Å; D94-T97 PolarHBondContact O-N 3.24Å; D94-T97 PolarHBondContact O-OG1 3.49Å
95S42.6Very low53.1Low98 Ų9878.7 Ų78.769%0.68544%0.441SS*.THydrogen-bonded Turntrans-61.414.5176.360.90000113.3V93V93-S95 PolarHBondContact O-N 2.72Å; V93-S95 VanDerWaalsContact O-N 3.16Å
96Q41.4Very low56.1Low184 Ų18473.4 Ų73.486%0.8640%0.404SS*.THydrogen-bonded Turntrans-121.2-3.2176.6-67-164-14.700113.9D94D94-Q96 PolarHBondContact O-N 3.29Å
97T47.8Very low59Low73 Ų7370.1 Ų70.145%0.44839%0.392SS..SBendtrans-88.5123.4173.8510000109.5V93 D94 T99V93-T97 WeakPolarHBondContact CG1-OG1 3.27Å; D94-T97 HydrophobicContact CB-CG2 4.21Å; D94-T97 PolarHBondContact O-N 3.24Å; D94-T97 PolarHBondContact O-OG1 3.49Å; T97-T99 PolarHBondContact O-N 2.96Å; T97-T99 PolarHBondContact O-OG1 3.3Å
98D59.7Low61.8Low126 Ų12669.9 Ų69.967%0.67438%0.384SS*.  trans-65.767.7178.5-171.632.7000110.4K100D98-K100 PolarHBondContact O-N 3.36Å; D98-K100 VanDerWaalsContact O-N 3.1Å
99T65.3Low64.8Low23 Ų2366.2 Ų66.214%0.14137%0.366CS..  trans-70.5108.9179.938.70000108.5V93 T97 F101 Q115V93-T99 HydrophobicContact CB-CG2 4.44Å; V93-T99 HydrophobicContact CG1-CG2 3.35Å; V93-T99 HydrophobicContact CG2-CG2 4.2Å; T97-T99 PolarHBondContact O-N 2.96Å; T97-T99 PolarHBondContact O-OG1 3.3Å; T99-F101 PolarHBondContact O-N 2.78Å; T99-Q115 VanDerWaalsContact O-CG 3.28Å; T99-Q115 WeakPolarHBondContact O-CG 3.31Å
100K83.7Confident67.7Low122 Ų12262.6 Ų62.653%0.5334%0.342SS..SBendtrans-63.9-22.7178.9-66.8-176.7178.4179.70112.9D98 Q115D98-K100 PolarHBondContact O-N 3.36Å; D98-K100 VanDerWaalsContact O-N 3.1Å; K100-Q115 PolarHBondContact O-N 3.44Å
101F90.2Very high70.5Confident18 Ų1860.7 Ų60.78%0.07933%0.328CS..EExtended strand (participates in β ladder)trans-138.4142-175.7-52.5-83.2000111.6L18 L30 D32 G34 T99 M112 V113 K114L18-F101 HydrophobicContact CD1-CB 4.37Å; L18-F101 HydrophobicContact CD1-CD2 4.28Å; L30-F101 HydrophobicContact CD1-CB 3.89Å; L30-F101 HydrophobicContact CD1-CG 4.44Å; L30-F101 HydrophobicContact CD2-CB 3.47Å; L30-F101 VanDerWaalsContact CD2-CB 3.47Å; L30-F101 HydrophobicContact CG-CB 4Å; D32-F101 WeakPolarHBondContact O-CE2 3.23Å; G34-F101 VanDerWaalsContact CA-CE2 3.47Å; G34-F101 VanDerWaalsContact CA-CZ 3.42Å; T99-F101 PolarHBondContact O-N 2.78Å; F101-M112 HydrophobicContact CD1-SD 4.31Å; F101-V113 CarbonylContact C-O 3.59Å; F101-V113 VanDerWaalsContact CA-O 3.25Å; F101-V113 WeakPolarHBondContact CA-O 3.48Å; F101-K114 HydrophobicContact CD1-CB 4.12Å; F101-K114 HydrophobicContact CD1-CG 4.06Å; F101-K114 HydrophobicContact CE1-CB 4.15Å; F101-K114 HydrophobicContact CE1-CD 4.11Å; F101-K114 HydrophobicContact CE1-CG 3.63Å
102L92.1Very high73.4Confident19 Ų1954.8 Ų54.810%0.09930%0.296CS..EExtended strand (participates in β ladder)trans-128.7144.3171.9-55.1167.3000108.9M112 V113 I146 A149L102-M112 CarbonylContact O-C 3.56Å; L102-M112 VanDerWaalsContact O-CA 3.26Å; L102-M112 WeakPolarHBondContact O-CA 3.35Å; L102-M112 WeakPolarHBondContact O-CG 3.48Å; L102-V113 HydrophobicContact CB-CB 4.13Å; L102-V113 HydrophobicContact CD1-CB 4.47Å; L102-V113 PolarHBondContact N-O 3Å; L102-V113 PolarHBondContact O-N 2.89Å; L102-I146 HydrophobicContact CD1-CB 4.36Å; L102-I146 HydrophobicContact CD1-CG2 3.68Å; L102-A149 HydrophobicContact CB-CB 4.06Å; L102-A149 HydrophobicContact CD1-CB 4.45Å
103L92.5Very high76.2Confident13 Ų1350.5 Ų50.57%0.06827%0.266CS..EExtended strand (participates in β ladder)trans-116.5140.5178.9-169.573.5000109.1D21 L30 V36 V110 I125D21-L103 HydrophobicContact CB-CD2 3.84Å; D21-L103 HydrophobicContact CB-CG 4.43Å; L30-L103 HydrophobicContact CD2-CB 4.2Å; V36-L103 HydrophobicContact CG1-CD1 4.33Å; L103-V110 HydrophobicContact CD1-CG1 3.63Å; L103-V110 HydrophobicContact CG-CG1 4.4Å; L103-I125 HydrophobicContact CD1-CD1 4.19Å
104A92.9Very high78.8Confident1 Ų151.6 Ų51.61%0.00827%0.268CS..EExtended strand (participates in β ladder)trans-141.4113.9172.200000110.4Y111 A149 A151 V156A104-Y111 PolarHBondContact N-O 3.29Å; A104-Y111 PolarHBondContact O-N 3.14Å; A104-A149 HydrophobicContact CB-CB 4Å; A104-A151 HydrophobicContact CB-CB 4.15Å; A104-V156 HydrophobicContact CB-CG1 4.38Å
105C93Very high81.5Confident7 Ų747.3 Ų47.35%0.04724%0.244CC..EExtended strand (participates in β ladder)trans-102.8120.6178-63.10000110.8D21 S22 T23 V110 A151D21-C105 HydrophobicContact CB-CB 4.13Å; D21-C105 VanDerWaalsContact OD2-CB 3.27Å; D21-C105 WeakPolarHBondContact OD2-CB 3.2Å; D21-C105 PolarHBondContact OD2-N 2.95Å; S22-C105 WeakPolarHBondContact O-CB 3.48Å; T23-C105 HydrophobicContact CG2-CB 4.08Å; C105-V110 HydrophobicContact CB-CG2 4.44Å; C105-A151 VanDerWaalsContact C-CB 3.44Å; C105-A151 WeakPolarHBondContact O-CB 3.2Å
106T92.3Very high83.4Confident6 Ų645.1 Ų45.14%0.03722%0.223CC..  trans-76.8-175.7160.476.90000109.4Q108 T109 Y111 A151 G152 N153 V156T106-Q108 PolarHBondContact O-N 3.08Å; T106-Q108 VanDerWaalsContact O-N 3.09Å; T106-Q108 PolarHBondContact OG1-N 3.27Å; T106-T109 WeakPolarHBondContact CG2-OG1 3.34Å; T106-T109 PolarHBondContact N-O 2.8Å; T106-T109 PolarHBondContact OG1-N 3.44Å; T106-T109 PolarHBondContact OG1-O 3.3Å; T106-T109 PolarHBondContact OG1-OG1 2.99Å; T106-Y111 HydrophobicContact CG2-CD2 4.47Å; T106-Y111 HydrophobicContact CG2-CE2 3.95Å; T106-A151 HydrophobicContact CG2-CB 3.99Å; T106-G152 VanDerWaalsContact CA-O 3.29Å; T106-G152 WeakPolarHBondContact CA-O 3.35Å; T106-G152 WeakPolarHBondContact CB-O 2.73Å; T106-N153 WeakPolarHBondContact CB-O 3.26Å; T106-V156 HydrophobicContact CG2-CG2 4.02Å
107D88.8Confident85.3Confident62 Ų6244.4 Ų44.433%0.33222%0.22SC..SBendtrans-52.9-37.2173.7-73.9-9.3000111.2T23 W24 N153T23-D107 WeakPolarHBondContact CA-O 3.38Å; T23-D107 WeakPolarHBondContact CB-O 3.27Å; W24-D107 PolarHBondContact N-O 3.44Å; D107-N153 VanDerWaalsContact CB-O 3.28Å; D107-N153 WeakPolarHBondContact CB-O 3.22Å; D107-N153 PolarHBondContact N-O 3.4Å; D107-N153 WeakPolarHBondContact OD1-CA 3.43Å; D107-N153 VanDerWaalsContact OD2-CB 3.31Å; D107-N153 WeakPolarHBondContact OD2-CB 3.32Å; D107-N153 VanDerWaalsContact OD2-CG 3.25Å; D107-N153 PolarHBondContact OD2-ND2 3.44Å
108Q87Confident86.8Confident105 Ų10548.2 Ų48.249%0.49123%0.233SC..SBendtrans-124.9-22.2-169.1-48.8-169.27.900114.5T106 P128T106-Q108 PolarHBondContact O-N 3.08Å; T106-Q108 VanDerWaalsContact O-N 3.09Å; T106-Q108 PolarHBondContact OG1-N 3.27Å; Q108-P128 HydrophobicContact CB-CG 3.78Å; Q108-P128 WeakPolarHBondContact O-CD 3.31Å
109T91.3Very high88Confident23 Ų2348.3 Ų48.314%0.14122%0.224CC..  trans-121.1140.7-17064.40000110.7T106 Y111 D126T106-T109 WeakPolarHBondContact CG2-OG1 3.34Å; T106-T109 PolarHBondContact N-O 2.8Å; T106-T109 PolarHBondContact OG1-N 3.44Å; T106-T109 PolarHBondContact OG1-O 3.3Å; T106-T109 PolarHBondContact OG1-OG1 2.99Å; T109-Y111 WeakPolarHBondContact OG1-CE2 3.48Å; T109-D126 CarbonylContact C-O 3.51Å; T109-D126 WeakPolarHBondContact CA-O 3.43Å
110V93.1Very high89.3Confident0 Ų047.7 Ų47.70%022%0.22CC..EExtended strand (participates in β ladder)trans-113.3128.3179.6-174.10000109.8T23 Y28 L103 C105 I125 D126T23-V110 HydrophobicContact CG2-CG2 3.53Å; Y28-V110 HydrophobicContact CD1-CG1 4.23Å; Y28-V110 HydrophobicContact CD1-CG2 4.11Å; Y28-V110 HydrophobicContact CD2-CG2 4.03Å; Y28-V110 HydrophobicContact CE1-CB 4.35Å; Y28-V110 HydrophobicContact CE1-CG1 4.42Å; Y28-V110 HydrophobicContact CE1-CG2 3.65Å; Y28-V110 HydrophobicContact CE2-CG2 3.61Å; Y28-V110 HydrophobicContact CG-CG1 4.49Å; Y28-V110 HydrophobicContact CG-CG2 4.28Å; L103-V110 HydrophobicContact CD1-CG1 3.63Å; L103-V110 HydrophobicContact CG-CG1 4.4Å; C105-V110 HydrophobicContact CB-CG2 4.44Å; V110-I125 HydrophobicContact CB-CD1 4.42Å; V110-I125 HydrophobicContact CB-CG1 3.92Å; V110-I125 HydrophobicContact CG1-CD1 3.67Å; V110-I125 HydrophobicContact CG1-CG1 3.65Å; V110-I125 WeakPolarHBondContact O-CG1 2.92Å; V110-I125 PolarHBondContact O-N 2.95Å; V110-D126 HydrophobicContact CB-CB 3.94Å; V110-D126 HydrophobicContact CG2-CB 4.05Å; V110-D126 PolarHBondContact N-O 2.86Å; V110-D126 PolarHBondContact O-N 2.85Å
111Y92.9Very high89.6Confident27 Ų2741.9 Ų41.911%0.10620%0.195CC..EExtended strand (participates in β ladder)trans-113.7148.1175.2-59.5-84.6000110.3A104 T106 T109 L122 Y123 L124 L136 V156 F168A104-Y111 PolarHBondContact N-O 3.29Å; A104-Y111 PolarHBondContact O-N 3.14Å; T106-Y111 HydrophobicContact CG2-CD2 4.47Å; T106-Y111 HydrophobicContact CG2-CE2 3.95Å; T109-Y111 WeakPolarHBondContact OG1-CE2 3.48Å; Y111-L122 HydrophobicContact CD1-CD1 4.5Å; Y111-Y123 CarbonylContact C-O 3.1Å; Y111-Y123 WeakPolarHBondContact CA-O 3.21Å; Y111-L124 HydrophobicContact CD1-CB 3.96Å; Y111-L124 HydrophobicContact CD1-CG 4.4Å; Y111-L124 HydrophobicContact CE1-CB 3.8Å; Y111-L124 HydrophobicContact CE1-CD1 4.03Å; Y111-L124 HydrophobicContact CE1-CG 3.96Å; Y111-L136 HydrophobicContact CD1-CD1 4.01Å; Y111-L136 HydrophobicContact CE1-CD1 3.74Å; Y111-V156 HydrophobicContact CD2-CG2 3.55Å; Y111-V156 HydrophobicContact CE2-CG2 3.55Å; Y111-V156 HydrophobicContact CG-CG2 4.38Å; Y111-F168 HydrophobicContact CD1-CE2 4.17Å; Y111-F168 HydrophobicContact CD1-CZ 4.02Å; Y111-F168 AromaticContact CE1-CE2 3.63Å; Y111-F168 HydrophobicContact CE1-CE2 3.63Å; Y111-F168 AromaticContact CE1-CZ 3.97Å; Y111-F168 HydrophobicContact CE1-CZ 3.97Å; Y111-F168 HydrophobicContact CE2-CE2 4.29Å; Y111-F168 HydrophobicContact CE2-CZ 4.45Å; Y111-F168 HydrophobicContact CG-CZ 4.31Å; Y111-F168 AromaticContact CZ-CE2 3.69Å
112M92.4Very high89.7Confident0 Ų041.1 Ų41.10%019%0.191CC..EExtended strand (participates in β ladder)trans-133.5133.5173.7-174.7-166.666.700109.2L30 V36 L54 F101 L102 Y123 I125L30-M112 HydrophobicContact CD1-SD 4.21Å; V36-M112 HydrophobicContact CG2-SD 3.83Å; L54-M112 HydrophobicContact CD1-CE 3.62Å; L54-M112 HydrophobicContact CD1-SD 4.14Å; L54-M112 HydrophobicContact CD2-CE 3.4Å; L54-M112 HydrophobicContact CD2-SD 4.25Å; L54-M112 HydrophobicContact CG-CE 4.15Å; F101-M112 HydrophobicContact CD1-SD 4.31Å; L102-M112 CarbonylContact O-C 3.56Å; L102-M112 VanDerWaalsContact O-CA 3.26Å; L102-M112 WeakPolarHBondContact O-CA 3.35Å; L102-M112 WeakPolarHBondContact O-CG 3.48Å; M112-Y123 HydrophobicContact CE-CD2 3.88Å; M112-Y123 HydrophobicContact CE-CE2 4.47Å; M112-Y123 HydrophobicContact CE-CG 4.41Å; M112-Y123 PolarHBondContact N-O 3.09Å; M112-Y123 PolarHBondContact O-N 2.86Å; M112-I125 HydrophobicContact CB-CD1 4.01Å; M112-I125 HydrophobicContact CB-CG1 4.46Å; M112-I125 HydrophobicContact CB-CG2 4.04Å; M112-I125 HydrophobicContact CE-CG2 4.5Å
113V92.4Very high89.7Confident1 Ų142 Ų421%0.00619%0.194CC..EExtended strand (participates in β ladder)trans-100.6128.8168.5-175.50000108.4F101 L102 C121 L122 I146 A149 L158F101-V113 CarbonylContact C-O 3.59Å; F101-V113 VanDerWaalsContact CA-O 3.25Å; F101-V113 WeakPolarHBondContact CA-O 3.48Å; L102-V113 HydrophobicContact CB-CB 4.13Å; L102-V113 HydrophobicContact CD1-CB 4.47Å; L102-V113 PolarHBondContact N-O 3Å; L102-V113 PolarHBondContact O-N 2.89Å; V113-C121 CarbonylContact C-O 3.54Å; V113-C121 VanDerWaalsContact CA-O 3.31Å; V113-C121 WeakPolarHBondContact CA-O 2.93Å; V113-L122 HydrophobicContact CG2-CD1 3.71Å; V113-I146 HydrophobicContact CG1-CB 4.06Å; V113-I146 HydrophobicContact CG1-CG1 4.33Å; V113-I146 HydrophobicContact CG1-CG2 4.42Å; V113-I146 HydrophobicContact CG2-CG2 4.38Å; V113-A149 HydrophobicContact CG2-CB 4.09Å; V113-L158 HydrophobicContact CG2-CD2 4.36Å
114K90.6Very high89.7Confident66 Ų6642.2 Ų42.229%0.28720%0.195SC..EExtended strand (participates in β ladder)trans-107.6125.6169.9178.7-177.1175.6-1530108.7F101 E116 C121 Y123F101-K114 HydrophobicContact CD1-CB 4.12Å; F101-K114 HydrophobicContact CD1-CG 4.06Å; F101-K114 HydrophobicContact CE1-CB 4.15Å; F101-K114 HydrophobicContact CE1-CD 4.11Å; F101-K114 HydrophobicContact CE1-CG 3.63Å; K114-E116 HydrophobicContact CD-CG 4.47Å; K114-E116 HydrophobicContact CG-CG 4.43Å; K114-E116 IonicContact NZ-OE1 2.72Å; K114-E116 PolarHBondContact NZ-OE1 3.28Å; K114-E116 VanDerWaalsContact NZ-OE1 3.15Å; K114-C121 PolarHBondContact N-O 2.83Å; K114-C121 PolarHBondContact O-N 3.32Å; K114-Y123 HydrophobicContact CB-CD2 4.46Å; K114-Y123 HydrophobicContact CB-CE2 3.84Å; K114-Y123 HydrophobicContact CD-CE2 4.47Å
115Q88.5Confident89.7Confident20 Ų2042.2 Ų42.29%0.09320%0.195CC..EExtended strand (participates in β ladder)trans-83.4118.9170.9-53.9-57.3-24.100109.1T99 K100 S120 I146T99-Q115 VanDerWaalsContact O-CG 3.28Å; T99-Q115 WeakPolarHBondContact O-CG 3.31Å; K100-Q115 PolarHBondContact O-N 3.44Å; Q115-S120 PolarHBondContact OE1-OG 2.71Å; Q115-I146 PolarHBondContact NE2-O 2.85Å
116E84.3Confident89.6Confident52 Ų5242.5 Ų42.524%0.24320%0.196CC..  trans-98.5171.8166.9-58.2-171.5157.900108.6K114 E118 R119 C121 K145K114-E116 HydrophobicContact CD-CG 4.47Å; K114-E116 HydrophobicContact CG-CG 4.43Å; K114-E116 IonicContact NZ-OE1 2.72Å; K114-E116 PolarHBondContact NZ-OE1 3.28Å; K114-E116 VanDerWaalsContact NZ-OE1 3.15Å; E116-E118 VanDerWaalsContact C-N 3.29Å; E116-E118 PolarHBondContact O-N 2.86Å; E116-R119 CarbonylContact C-O 3.54Å; E116-R119 WeakPolarHBondContact CA-O 3.39Å; E116-R119 HydrophobicContact CB-CG 4.12Å; E116-R119 WeakPolarHBondContact CB-O 3.43Å; E116-R119 PolarHBondContact N-O 2.96Å; E116-R119 IonicContact OE2-CZ 3.88Å; E116-R119 VanDerWaalsContact OE2-CZ 3.26Å; E116-R119 IonicContact OE2-NE 3.88Å; E116-R119 PolarHBondContact OE2-NE 3.28Å; E116-R119 IonicContact OE2-NH2 3.27Å; E116-R119 PolarHBondContact OE2-NH2 2.95Å; E116-C121 PolarHBondContact OE2-SG 2.86Å; E116-K145 PolarHBondContact O-NZ 2.82Å
117E79.5Confident89.4Confident169 Ų16942.7 Ų42.779%0.7920%0.198SC*.SBendtrans-54.7-47.8-176-68.6179.7169.600111.4K145E117-K145 WeakPolarHBondContact O-CE 3.49Å; E117-K145 PolarHBondContact O-NZ 3.39Å
118E79.4Confident89.1Confident152 Ų15243.8 Ų43.871%0.7121%0.208SC*.SBendtrans-108.3-2.9-171.9-61.6-59.1155.600114.7E116E116-E118 VanDerWaalsContact C-N 3.29Å; E116-E118 PolarHBondContact O-N 2.86Å
119R86.2Confident88.6Confident129 Ų12947 Ų4749%0.48722%0.22SC..  trans-158.8160.3-176.263.6-179.4-174.1144.97.5113.7E116 C121E116-R119 CarbonylContact C-O 3.54Å; E116-R119 WeakPolarHBondContact CA-O 3.39Å; E116-R119 HydrophobicContact CB-CG 4.12Å; E116-R119 WeakPolarHBondContact CB-O 3.43Å; E116-R119 PolarHBondContact N-O 2.96Å; E116-R119 IonicContact OE2-CZ 3.88Å; E116-R119 VanDerWaalsContact OE2-CZ 3.26Å; E116-R119 IonicContact OE2-NE 3.88Å; E116-R119 PolarHBondContact OE2-NE 3.28Å; E116-R119 IonicContact OE2-NH2 3.27Å; E116-R119 PolarHBondContact OE2-NH2 2.95Å; R119-C121 PolarHBondContact NE-SG 3.45Å; R119-C121 VanDerWaalsContact NE-SG 3.45Å; R119-C121 PolarHBondContact NH2-SG 3.46Å
120S91.1Very high87.7Confident9 Ų951.5 Ų51.56%0.06324%0.238CC..EExtended strand (participates in β ladder)trans-98.4132.3163.7-50.40000110.3Q115 K145 I146Q115-S120 PolarHBondContact OE1-OG 2.71Å; S120-K145 WeakPolarHBondContact OG-CA 3.39Å; S120-I146 PolarHBondContact OG-N 2.87Å
121C91Very high86.3Confident1 Ų156 Ų561%0.00727%0.269CS..EExtended strand (participates in β ladder)trans-110.1128.7175.7-63.70000109.8V113 K114 E116 R119 Y123V113-C121 CarbonylContact C-O 3.54Å; V113-C121 VanDerWaalsContact CA-O 3.31Å; V113-C121 WeakPolarHBondContact CA-O 2.93Å; K114-C121 PolarHBondContact N-O 2.83Å; K114-C121 PolarHBondContact O-N 3.32Å; E116-C121 PolarHBondContact OE2-SG 2.86Å; R119-C121 PolarHBondContact NE-SG 3.45Å; R119-C121 VanDerWaalsContact NE-SG 3.45Å; R119-C121 PolarHBondContact NH2-SG 3.46Å; C121-Y123 HydrophobicContact CB-CD2 4.44Å; C121-Y123 HydrophobicContact CB-CE2 3.5Å
122L93Very high85.4Confident1 Ų158.4 Ų58.41%0.00529%0.289CS..EExtended strand (participates in β ladder)trans-102.9133.4176.9175.969.4000110.4Y111 V113 L136 M138 L158 F168 P187Y111-L122 HydrophobicContact CD1-CD1 4.5Å; V113-L122 HydrophobicContact CG2-CD1 3.71Å; L122-L136 HydrophobicContact CB-CB 4.29Å; L122-L136 HydrophobicContact CD2-CB 3.89Å; L122-L136 HydrophobicContact CD2-CD1 3.71Å; L122-L136 HydrophobicContact CD2-CG 4.42Å; L122-L136 HydrophobicContact CG-CB 4.05Å; L122-L136 HydrophobicContact CG-CD1 4.05Å; L122-L136 PolarHBondContact O-N 2.92Å; L122-M138 HydrophobicContact CB-CG 4.03Å; L122-M138 HydrophobicContact CB-SD 3.49Å; L122-M138 WeakPolarHBondContact CB-SD 3.42Å; L122-M138 HydrophobicContact CD2-CG 4.26Å; L122-M138 HydrophobicContact CD2-SD 3.88Å; L122-M138 HydrophobicContact CG-SD 4.26Å; L122-L158 HydrophobicContact CD2-CD1 4.23Å; L122-F168 HydrophobicContact CD2-CE1 3.81Å; L122-F168 HydrophobicContact CD2-CE2 4.48Å; L122-F168 HydrophobicContact CD2-CZ 3.68Å; L122-P187 HydrophobicContact CD2-CG 3.45Å; L122-P187 VanDerWaalsContact CD2-CG 3.45Å
123Y92.1Very high85.1Confident38 Ų3860.1 Ų60.115%0.14930%0.299CS..EExtended strand (participates in β ladder)trans-124.7134.6179.4-58.6-89.4000110.1Y111 M112 K114 C121 V133 I134 H135Y111-Y123 CarbonylContact C-O 3.1Å; Y111-Y123 WeakPolarHBondContact CA-O 3.21Å; M112-Y123 HydrophobicContact CE-CD2 3.88Å; M112-Y123 HydrophobicContact CE-CE2 4.47Å; M112-Y123 HydrophobicContact CE-CG 4.41Å; M112-Y123 PolarHBondContact N-O 3.09Å; M112-Y123 PolarHBondContact O-N 2.86Å; K114-Y123 HydrophobicContact CB-CD2 4.46Å; K114-Y123 HydrophobicContact CB-CE2 3.84Å; K114-Y123 HydrophobicContact CD-CE2 4.47Å; C121-Y123 HydrophobicContact CB-CD2 4.44Å; C121-Y123 HydrophobicContact CB-CE2 3.5Å; Y123-V133 HydrophobicContact CD1-CG1 3.64Å; Y123-V133 HydrophobicContact CG-CG1 4.18Å; Y123-I134 CarbonylContact C-O 3.55Å; Y123-I134 VanDerWaalsContact CA-O 3.3Å; Y123-I134 WeakPolarHBondContact CA-O 3.29Å; Y123-H135 HydrophobicContact CD1-CB 4.33Å; Y123-H135 HydrophobicContact CE1-CB 4.3Å; Y123-H135 AromaticContact CE1-CD2 3.77Å
124L91.9Very high84.9Confident18 Ų1863.1 Ų63.19%0.09432%0.315CS..EExtended strand (participates in β ladder)trans-85.4115.4157.8-178.8166.7000106.5Y111 V133 I134Y111-L124 HydrophobicContact CD1-CB 3.96Å; Y111-L124 HydrophobicContact CD1-CG 4.4Å; Y111-L124 HydrophobicContact CE1-CB 3.8Å; Y111-L124 HydrophobicContact CE1-CD1 4.03Å; Y111-L124 HydrophobicContact CE1-CG 3.96Å; L124-V133 CarbonylContact O-C 3.51Å; L124-V133 VanDerWaalsContact O-CA 3.31Å; L124-V133 WeakPolarHBondContact O-CA 3.18Å; L124-I134 HydrophobicContact CB-CB 4.28Å; L124-I134 PolarHBondContact N-O 2.83Å; L124-I134 PolarHBondContact O-N 2.85Å
125I92Very high84.8Confident0 Ų064.2 Ų64.20%032%0.321CS..EExtended strand (participates in β ladder)trans-109.1-20.1-171.661.7164.6000114V36 L52 W59 L103 V110 M112 V133V36-I125 HydrophobicContact CB-CD1 4.09Å; V36-I125 HydrophobicContact CG1-CD1 3.85Å; V36-I125 HydrophobicContact CG2-CD1 3.74Å; L52-I125 HydrophobicContact CD2-CB 3.72Å; L52-I125 HydrophobicContact CD2-CD1 3.88Å; L52-I125 HydrophobicContact CD2-CG1 4.41Å; L52-I125 HydrophobicContact CD2-CG2 3.8Å; W59-I125 HydrophobicContact CZ2-CD1 4.5Å; W59-I125 PolarHBondContact NE1-O 2.91Å; L103-I125 HydrophobicContact CD1-CD1 4.19Å; V110-I125 HydrophobicContact CB-CD1 4.42Å; V110-I125 HydrophobicContact CB-CG1 3.92Å; V110-I125 HydrophobicContact CG1-CD1 3.67Å; V110-I125 HydrophobicContact CG1-CG1 3.65Å; V110-I125 WeakPolarHBondContact O-CG1 2.92Å; V110-I125 PolarHBondContact O-N 2.95Å; M112-I125 HydrophobicContact CB-CD1 4.01Å; M112-I125 HydrophobicContact CB-CG1 4.46Å; M112-I125 HydrophobicContact CB-CG2 4.04Å; M112-I125 HydrophobicContact CE-CG2 4.5Å; I125-V133 HydrophobicContact CB-CG2 4.4Å; I125-V133 HydrophobicContact CG2-CG1 4.22Å; I125-V133 HydrophobicContact CG2-CG2 4.19Å
126D91Very high84.7Confident13 Ų1364.3 Ų64.37%0.0732%0.322CS..EExtended strand (participates in β ladder)trans-149.9140.6174.4-155.51.1000110.5Y28 R38 W59 T109 V110Y28-D126 HydrophobicContact CE1-CB 4.32Å; Y28-D126 PolarHBondContact OH-OD2 2.84Å; R38-D126 WeakPolarHBondContact CD-OD2 3.12Å; R38-D126 IonicContact CZ-OD2 3.15Å; R38-D126 IonicContact NE-OD2 2.82Å; R38-D126 IonicContact NH1-OD1 3.81Å; R38-D126 PolarHBondContact NH1-OD1 2.91Å; R38-D126 IonicContact NH1-OD2 3.26Å; R38-D126 PolarHBondContact NH1-OD2 3.43Å; W59-D126 HydrophobicContact CZ2-CB 4.11Å; T109-D126 CarbonylContact C-O 3.51Å; T109-D126 WeakPolarHBondContact CA-O 3.43Å; V110-D126 HydrophobicContact CB-CB 3.94Å; V110-D126 HydrophobicContact CG2-CB 4.05Å; V110-D126 PolarHBondContact N-O 2.86Å; V110-D126 PolarHBondContact O-N 2.85Å
127S88.5Confident84.7Confident11 Ų1164.6 Ų64.68%0.07733%0.327CS..BIsolated β-bridgetrans-163150.8177.8178.20000110.4K129 F130S127-K129 PolarHBondContact O-N 2.81Å; S127-K129 VanDerWaalsContact O-N 3.11Å; S127-K129 PolarHBondContact OG-N 3.3Å; S127-F130 PolarHBondContact N-O 2.93Å; S127-F130 CarbonylContact O-C 3.58Å; S127-F130 PolarHBondContact O-N 3.23Å
128P82.7Confident85Confident84 Ų8457.9 Ų57.955%0.54530%0.296SS..THydrogen-bonded Turntrans-63.3-21.5175.1-19.433.3000112.9Q108Q108-P128 HydrophobicContact CB-CG 3.78Å; Q108-P128 WeakPolarHBondContact O-CD 3.31Å
129K77.8Confident85.3Confident174 Ų17458.1 Ų58.176%0.75730%0.297SS*.THydrogen-bonded Turntrans-88.7-23.4-178.4-64.3-177.2-178.9177.40113.1S127S127-K129 PolarHBondContact O-N 2.81Å; S127-K129 VanDerWaalsContact O-N 3.11Å; S127-K129 PolarHBondContact OG-N 3.3Å
130F70.7Confident85.4Confident117 Ų11753.8 Ų53.851%0.51328%0.283SS..BIsolated β-bridgetrans-151.1130.5-172.4-56.7-77.8000110.7S127 I134S127-F130 PolarHBondContact N-O 2.93Å; S127-F130 CarbonylContact O-C 3.58Å; S127-F130 PolarHBondContact O-N 3.23Å; F130-I134 HydrophobicContact CB-CD1 4.43Å; F130-I134 HydrophobicContact CD2-CD1 4.27Å; F130-I134 HydrophobicContact CG-CD1 4.26Å
131C63.6Low85.2Confident95 Ų9557.3 Ų57.364%0.64230%0.304SS*.SBendtrans-99.913.5176.8-57.40000113.2
132S75.2Confident84.9Confident76 Ų7665.9 Ų65.953%0.53134%0.344SS..SBendtrans-116.1147.9-178.9-58.70000110.2I134S132-I134 PolarHBondContact O-N 3.13Å
133V86Confident84.5Confident36 Ų3668.7 Ų68.722%0.21837%0.374CS..  trans-67.5127.9176.1178.90000110.8L52 G57 Y123 L124 I125L52-V133 HydrophobicContact CD1-CG2 3.78Å; L52-V133 HydrophobicContact CD2-CG2 4.34Å; G57-V133 PolarHBondContact O-N 3.4Å; Y123-V133 HydrophobicContact CD1-CG1 3.64Å; Y123-V133 HydrophobicContact CG-CG1 4.18Å; L124-V133 CarbonylContact O-C 3.51Å; L124-V133 VanDerWaalsContact O-CA 3.31Å; L124-V133 WeakPolarHBondContact O-CA 3.18Å; I125-V133 HydrophobicContact CB-CG2 4.4Å; I125-V133 HydrophobicContact CG2-CG1 4.22Å; I125-V133 HydrophobicContact CG2-CG2 4.19Å
134I87.3Confident84.5Confident64 Ų6467.7 Ų67.733%0.32837%0.372SS..EExtended strand (participates in β ladder)trans-114.3125.9175-58.5172.1000108.6Y123 L124 F130 S132 L136Y123-I134 CarbonylContact C-O 3.55Å; Y123-I134 VanDerWaalsContact CA-O 3.3Å; Y123-I134 WeakPolarHBondContact CA-O 3.29Å; L124-I134 HydrophobicContact CB-CB 4.28Å; L124-I134 PolarHBondContact N-O 2.83Å; L124-I134 PolarHBondContact O-N 2.85Å; F130-I134 HydrophobicContact CB-CD1 4.43Å; F130-I134 HydrophobicContact CD2-CD1 4.27Å; F130-I134 HydrophobicContact CG-CD1 4.26Å; S132-I134 PolarHBondContact O-N 3.13Å; I134-L136 HydrophobicContact CG2-CD2 4.3Å
135H88.7Confident84.4Confident90 Ų9069.9 Ų69.942%0.41738%0.38SS..EExtended strand (participates in β ladder)trans-78.7124.2171.3179.2-88000110.1Y123Y123-H135 HydrophobicContact CD1-CB 4.33Å; Y123-H135 HydrophobicContact CE1-CB 4.3Å; Y123-H135 AromaticContact CE1-CD2 3.77Å
136L86.9Confident84.5Confident22 Ų2270 Ų7012%0.11538%0.381CS..EExtended strand (participates in β ladder)trans-98.3135175.5-63.5-179.4000110Y111 L122 I134 F168Y111-L136 HydrophobicContact CD1-CD1 4.01Å; Y111-L136 HydrophobicContact CE1-CD1 3.74Å; L122-L136 HydrophobicContact CB-CB 4.29Å; L122-L136 HydrophobicContact CD2-CB 3.89Å; L122-L136 HydrophobicContact CD2-CD1 3.71Å; L122-L136 HydrophobicContact CD2-CG 4.42Å; L122-L136 HydrophobicContact CG-CB 4.05Å; L122-L136 HydrophobicContact CG-CD1 4.05Å; L122-L136 PolarHBondContact O-N 2.92Å; I134-L136 HydrophobicContact CG2-CD2 4.3Å; L136-F168 HydrophobicContact CD1-CE2 3.99Å; L136-F168 HydrophobicContact CD1-CZ 4.34Å
137T84.5Confident84.5Confident58 Ų5871.8 Ų71.836%0.35639%0.392SS..PPolyproline II helixtrans-72.4132.7178.2-52.70000109.9
138M86.6Confident84.8Confident27 Ų2774.2 Ų74.213%0.13340%0.4CS..  trans-128.5129.7171.5-73.1-167.863.300109.9L122 L140 I146 L158 P187L122-M138 HydrophobicContact CB-CG 4.03Å; L122-M138 HydrophobicContact CB-SD 3.49Å; L122-M138 WeakPolarHBondContact CB-SD 3.42Å; L122-M138 HydrophobicContact CD2-CG 4.26Å; L122-M138 HydrophobicContact CD2-SD 3.88Å; L122-M138 HydrophobicContact CG-SD 4.26Å; M138-L140 HydrophobicContact CE-CD1 4.37Å; M138-L140 HydrophobicContact CE-CD2 3.93Å; M138-L140 HydrophobicContact CE-CG 4.21Å; M138-I146 HydrophobicContact CE-CD1 3.72Å; M138-I146 HydrophobicContact CE-CG1 3.91Å; M138-L158 HydrophobicContact CE-CD1 3.39Å; M138-L158 HydrophobicContact SD-CD1 3.64Å; M138-P187 HydrophobicContact CE-CB 4.13Å; M138-P187 HydrophobicContact CE-CG 4.35Å; M138-P187 HydrophobicContact CG-CB 4.04Å; M138-P187 HydrophobicContact CG-CG 3.65Å; M138-P187 HydrophobicContact SD-CB 4.42Å; M138-P187 HydrophobicContact SD-CG 4.02Å
139H85.1Confident85.3Confident158 Ų15870.6 Ų70.673%0.73138%0.377SS*.  trans-10187.3174.2-62.3-62.9000109.2
140L88.5Confident86.1Confident38 Ų3865.2 Ų65.220%0.19936%0.356CS..PPolyproline II helixtrans-91.8150.5171.7-63.4-178.8000110.2M138 I146M138-L140 HydrophobicContact CE-CD1 4.37Å; M138-L140 HydrophobicContact CE-CD2 3.93Å; M138-L140 HydrophobicContact CE-CG 4.21Å; L140-I146 HydrophobicContact CD1-CD1 3.85Å; L140-I146 HydrophobicContact CD1-CG1 4.03Å; L140-I146 HydrophobicContact CD2-CD1 3.86Å; L140-I146 HydrophobicContact CG-CD1 4.49Å
141T86.7Confident87.2Confident82 Ų8260.7 Ų60.750%0.50334%0.34SS..PPolyproline II helixtrans-66.1144.1168.2-64.80000110.1G143 T144 R164T141-G143 PolarHBondContact O-N 3.31Å; T141-T144 PolarHBondContact N-OG1 3.24Å; T141-T144 WeakPolarHBondContact O-CB 3.34Å; T141-T144 PolarHBondContact O-N 2.82Å; T141-T144 PolarHBondContact O-OG1 2.85Å; T141-R164 VanDerWaalsContact CB-NH1 3.31Å; T141-R164 PolarHBondContact OG1-NH1 2.88Å
142E85Confident88.6Confident181 Ų18156.4 Ų56.485%0.84631%0.313SS*.THydrogen-bonded Turntrans-49.6136177-167.8174.4-176.900111.7T144E142-T144 PolarHBondContact O-N 3.38Å
143G84.7Confident89.3Confident61 Ų6154.4 Ų54.463%0.62930%0.296SS*.THydrogen-bonded Turntrans74.52.1-177.500000115.8T141T141-G143 PolarHBondContact O-N 3.31Å
144T90.2Very high89.6Confident16 Ų1655 Ų5510%0.09831%0.305CS..  trans-97.7145.5174.766.70000111.9T141 E142 A162 R164T141-T144 PolarHBondContact N-OG1 3.24Å; T141-T144 WeakPolarHBondContact O-CB 3.34Å; T141-T144 PolarHBondContact O-N 2.82Å; T141-T144 PolarHBondContact O-OG1 2.85Å; E142-T144 PolarHBondContact O-N 3.38Å; T144-A162 HydrophobicContact CG2-CB 3.85Å; T144-R164 PolarHBondContact OG1-NH2 3.44Å
145K91.7Very high89.8Confident64 Ų6452 Ų5228%0.27829%0.29SS..  trans-129.6146.7179.8-66.1-175.1-178.7-172.10109.8E116 E117 S120 V147 D160 S161E116-K145 PolarHBondContact O-NZ 2.82Å; E117-K145 WeakPolarHBondContact O-CE 3.49Å; E117-K145 PolarHBondContact O-NZ 3.39Å; S120-K145 WeakPolarHBondContact OG-CA 3.39Å; K145-V147 PolarHBondContact O-N 3.08Å; K145-D160 CarbonylContact O-C 3.54Å; K145-D160 WeakPolarHBondContact O-CA 2.9Å; K145-D160 WeakPolarHBondContact O-CB 3.47Å; K145-S161 PolarHBondContact N-OG 2.77Å; K145-S161 VanDerWaalsContact N-OG 3.12Å; K145-S161 PolarHBondContact O-N 3.37Å
146I93.4Very high90.1Very high3 Ų347.8 Ų47.82%0.01527%0.27CS..EExtended strand (participates in β ladder)trans-66.7126.2169.1-59.8-46.5000109L102 V113 Q115 S120 M138 L140 R148 L158 L159 D160L102-I146 HydrophobicContact CD1-CB 4.36Å; L102-I146 HydrophobicContact CD1-CG2 3.68Å; V113-I146 HydrophobicContact CG1-CB 4.06Å; V113-I146 HydrophobicContact CG1-CG1 4.33Å; V113-I146 HydrophobicContact CG1-CG2 4.42Å; V113-I146 HydrophobicContact CG2-CG2 4.38Å; Q115-I146 PolarHBondContact NE2-O 2.85Å; S120-I146 PolarHBondContact OG-N 2.87Å; M138-I146 HydrophobicContact CE-CD1 3.72Å; M138-I146 HydrophobicContact CE-CG1 3.91Å; L140-I146 HydrophobicContact CD1-CD1 3.85Å; L140-I146 HydrophobicContact CD1-CG1 4.03Å; L140-I146 HydrophobicContact CD2-CD1 3.86Å; L140-I146 HydrophobicContact CG-CD1 4.49Å; I146-R148 WeakPolarHBondContact CG2-O 3.17Å; I146-L158 HydrophobicContact CD1-CB 4.15Å; I146-L158 HydrophobicContact CG2-CB 4.36Å; I146-L158 HydrophobicContact CG2-CD2 4.43Å; I146-L159 CarbonylContact C-O 3.52Å; I146-L159 WeakPolarHBondContact CA-O 3.37Å; I146-D160 HydrophobicContact CD1-CB 3.88Å
147V91.7Very high90.5Very high51 Ų5146.8 Ų46.831%0.30926%0.264SS..EExtended strand (participates in β ladder)trans-106.6-19.1178.4-62.90000112.2K145 L159K145-V147 PolarHBondContact O-N 3.08Å; V147-L159 HydrophobicContact CG2-CB 4.34Å; V147-L159 HydrophobicContact CG2-CD2 4.16Å; V147-L159 HydrophobicContact CG2-CG 3.91Å; V147-L159 WeakPolarHBondContact CG2-O 3.32Å; V147-L159 PolarHBondContact N-O 2.81Å
148R93.2Very high91Very high61 Ų6144 Ų4423%0.2325%0.248CC..EExtended strand (participates in β ladder)trans-143.2142.6170.6-56.9-172.1-179.5-78.78.9111.3I146 L158 L159 D200 I201I146-R148 WeakPolarHBondContact CG2-O 3.17Å; R148-L158 WeakPolarHBondContact O-CA 3.47Å; R148-L159 HydrophobicContact CB-CB 4.08Å; R148-L159 HydrophobicContact CG-CD2 4.37Å; R148-L159 PolarHBondContact N-O 2.84Å; R148-L159 PolarHBondContact O-N 2.84Å; R148-D200 WeakPolarHBondContact CD-OD1 3.47Å; R148-D200 IonicContact CZ-OD1 2.87Å; R148-D200 VanDerWaalsContact CZ-OD1 3.27Å; R148-D200 IonicContact NE-OD1 3.42Å; R148-D200 PolarHBondContact NE-OD1 3.09Å; R148-D200 IonicContact NH2-OD1 3.94Å; R148-D200 PolarHBondContact NH2-OD1 2.86Å; R148-D200 IonicContact NH2-OD2 3.91Å; R148-I201 HydrophobicContact CB-CD1 4.47Å; R148-I201 HydrophobicContact CB-CG1 4.45Å
149A94Very high91.4Very high8 Ų842.8 Ų42.87%0.06624%0.242CC..EExtended strand (participates in β ladder)trans-130.6119.8168.900000107.5L102 A104 V113 L158L102-A149 HydrophobicContact CB-CB 4.06Å; L102-A149 HydrophobicContact CD1-CB 4.45Å; A104-A149 HydrophobicContact CB-CB 4Å; V113-A149 HydrophobicContact CG2-CB 4.09Å; A149-L158 HydrophobicContact CB-CD2 3.51Å
150L94.6Very high91.8Very high61 Ų6135.3 Ų35.332%0.31921%0.207SC..EExtended strand (participates in β ladder)trans-131.9152.2-179.4-63.8178.3000108.9V156 M157 I201 V203L150-V156 CarbonylContact O-C 3.58Å; L150-V156 WeakPolarHBondContact O-CA 3.43Å; L150-V156 WeakPolarHBondContact O-CG1 3.37Å; L150-M157 PolarHBondContact N-O 2.8Å; L150-M157 PolarHBondContact O-N 2.93Å; L150-I201 HydrophobicContact CD1-CD1 4.18Å; L150-I201 HydrophobicContact CD1-CG1 3.94Å; L150-I201 WeakPolarHBondContact CD1-O 3.35Å; L150-I201 HydrophobicContact CG-CD1 4.44Å; L150-V203 HydrophobicContact CB-CB 4.02Å; L150-V203 HydrophobicContact CB-CG2 3.51Å; L150-V203 HydrophobicContact CD1-CG2 4.15Å
151A94.5Very high92Very high22 Ų2235.7 Ų35.718%0.18221%0.213CC..EExtended strand (participates in β ladder)trans-131.9145.4-178.100000111.2A104 C105 T106 F155 V156 V203A104-A151 HydrophobicContact CB-CB 4.15Å; C105-A151 VanDerWaalsContact C-CB 3.44Å; C105-A151 WeakPolarHBondContact O-CB 3.2Å; T106-A151 HydrophobicContact CG2-CB 3.99Å; A151-F155 CarbonylContact C-O 3.5Å; A151-F155 VanDerWaalsContact CA-O 3.3Å; A151-F155 WeakPolarHBondContact CA-O 3.37Å; A151-V156 HydrophobicContact CB-CG2 4.16Å; A151-V203 VanDerWaalsContact C-CG1 3.45Å
152G91.7Very high92.2Very high6 Ų634 Ų346%0.06221%0.207CC..  trans-98.9-162.6164.100000109.9T106 A154 F155 V203 G204T106-G152 VanDerWaalsContact CA-O 3.29Å; T106-G152 WeakPolarHBondContact CA-O 3.35Å; T106-G152 WeakPolarHBondContact CB-O 2.73Å; G152-A154 PolarHBondContact O-N 3.37Å; G152-A154 VanDerWaalsContact O-N 3.09Å; G152-F155 PolarHBondContact N-O 3.06Å; G152-V203 VanDerWaalsContact N-CG1 3.27Å; G152-G204 WeakPolarHBondContact CA-O 3.19Å
153N90.3Very high92.6Very high34 Ų3425.4 Ų25.418%0.18217%0.167CC..SBendtrans-57.5-34.6-174.4-79.450.4000113.8T106 D107 G205T106-N153 WeakPolarHBondContact CB-O 3.26Å; D107-N153 VanDerWaalsContact CB-O 3.28Å; D107-N153 WeakPolarHBondContact CB-O 3.22Å; D107-N153 PolarHBondContact N-O 3.4Å; D107-N153 WeakPolarHBondContact OD1-CA 3.43Å; D107-N153 VanDerWaalsContact OD2-CB 3.31Å; D107-N153 WeakPolarHBondContact OD2-CB 3.32Å; D107-N153 VanDerWaalsContact OD2-CG 3.25Å; D107-N153 PolarHBondContact OD2-ND2 3.44Å; N153-G205 WeakPolarHBondContact CB-O 3.38Å; N153-G205 PolarHBondContact N-O 3.14Å; N153-G205 WeakPolarHBondContact OD1-CA 3.4Å; N153-G205 PolarHBondContact OD1-O 2.78Å
154A91.3Very high93Very high49 Ų4924.9 Ų24.941%0.40515%0.146SC..SBendtrans-149.517.6-175.700000113.9G152 C170G152-A154 PolarHBondContact O-N 3.37Å; G152-A154 VanDerWaalsContact O-N 3.09Å; A154-C170 HydrophobicContact CB-CB 3.62Å; A154-C170 VanDerWaalsContact O-CB 3.31Å; A154-C170 WeakPolarHBondContact O-CB 3.25Å; A154-C170 PolarHBondContact O-N 3.43Å
155F93.4Very high93.2Very high1 Ų124.1 Ų24.10%0.00414%0.142CC..EExtended strand (participates in β ladder)trans-144.1160.7-17974.4-79.9000110.5A151 G152 M157 F168 E175 L176 V203 T208A151-F155 CarbonylContact C-O 3.5Å; A151-F155 VanDerWaalsContact CA-O 3.3Å; A151-F155 WeakPolarHBondContact CA-O 3.37Å; G152-F155 PolarHBondContact N-O 3.06Å; F155-M157 HydrophobicContact CD2-CE 3.91Å; F155-M157 HydrophobicContact CD2-CG 4.19Å; F155-M157 HydrophobicContact CE2-CE 3.72Å; F155-M157 HydrophobicContact CE2-CG 3.87Å; F155-F168 CarbonylContact C-O 3.59Å; F155-F168 WeakPolarHBondContact CA-O 3.48Å; F155-F168 WeakPolarHBondContact CB-O 3.25Å; F155-E175 HydrophobicContact CB-CB 4.5Å; F155-E175 HydrophobicContact CD1-CB 3.65Å; F155-E175 HydrophobicContact CD1-CG 3.97Å; F155-E175 HydrophobicContact CD2-CB 4.03Å; F155-E175 HydrophobicContact CE1-CB 3.76Å; F155-E175 HydrophobicContact CE1-CG 3.98Å; F155-E175 HydrophobicContact CE2-CB 4.12Å; F155-E175 HydrophobicContact CG-CB 3.79Å; F155-E175 HydrophobicContact CZ-CB 3.99Å; F155-L176 HydrophobicContact CB-CD2 3.75Å; F155-L176 HydrophobicContact CD2-CD2 4.38Å; F155-L176 HydrophobicContact CG-CD2 4.42Å; F155-V203 HydrophobicContact CE1-CG1 4.26Å; F155-V203 HydrophobicContact CE2-CG1 3.65Å; F155-V203 HydrophobicContact CZ-CG1 3.42Å; F155-V203 VanDerWaalsContact CZ-CG1 3.42Å; F155-T208 WeakPolarHBondContact CE2-OG1 3.49Å
156V94.7Very high93.4Very high1 Ų121.4 Ų21.41%0.00613%0.13CC..EExtended strand (participates in β ladder)trans-129.4140.4-176179.80000109.2A104 T106 Y111 L150 A151 L158 S167 F168A104-V156 HydrophobicContact CB-CG1 4.38Å; T106-V156 HydrophobicContact CG2-CG2 4.02Å; Y111-V156 HydrophobicContact CD2-CG2 3.55Å; Y111-V156 HydrophobicContact CE2-CG2 3.55Å; Y111-V156 HydrophobicContact CG-CG2 4.38Å; L150-V156 CarbonylContact O-C 3.58Å; L150-V156 WeakPolarHBondContact O-CA 3.43Å; L150-V156 WeakPolarHBondContact O-CG1 3.37Å; A151-V156 HydrophobicContact CB-CG2 4.16Å; V156-L158 HydrophobicContact CG1-CD2 3.79Å; V156-L158 HydrophobicContact CG1-CG 4.23Å; V156-S167 VanDerWaalsContact O-CA 3.29Å; V156-S167 WeakPolarHBondContact O-CA 3.35Å; V156-F168 HydrophobicContact CB-CD1 3.93Å; V156-F168 HydrophobicContact CB-CE1 3.38Å; V156-F168 HydrophobicContact CB-CE2 4.27Å; V156-F168 HydrophobicContact CB-CZ 3.57Å; V156-F168 HydrophobicContact CG1-CD1 4.32Å; V156-F168 HydrophobicContact CG1-CE1 3.45Å; V156-F168 VanDerWaalsContact CG1-CE1 3.45Å; V156-F168 HydrophobicContact CG1-CZ 3.79Å; V156-F168 HydrophobicContact CG2-CE1 4.09Å; V156-F168 HydrophobicContact CG2-CE2 4.17Å; V156-F168 HydrophobicContact CG2-CZ 3.71Å; V156-F168 PolarHBondContact N-O 2.8Å; V156-F168 PolarHBondContact O-N 3.2Å; V156-F168 VanDerWaalsContact O-N 3.12Å
157M95.3Very high93.5Very high0 Ų021.3 Ų21.30%013%0.129CC..EExtended strand (participates in β ladder)trans-118.3131173.3-67.3-72.1176.900109.3L150 F155 V165 H166 S167 E175 I201 V203 T208 M284L150-M157 PolarHBondContact N-O 2.8Å; L150-M157 PolarHBondContact O-N 2.93Å; F155-M157 HydrophobicContact CD2-CE 3.91Å; F155-M157 HydrophobicContact CD2-CG 4.19Å; F155-M157 HydrophobicContact CE2-CE 3.72Å; F155-M157 HydrophobicContact CE2-CG 3.87Å; M157-V165 HydrophobicContact SD-CG1 4.03Å; M157-H166 WeakPolarHBondContact CA-O 3.45Å; M157-S167 WeakPolarHBondContact SD-CB 3.5Å; M157-E175 WeakPolarHBondContact CE-O 3.42Å; M157-I201 HydrophobicContact CB-CD1 3.82Å; M157-V203 HydrophobicContact CB-CG2 3.74Å; M157-V203 HydrophobicContact CG-CG2 3.77Å; M157-T208 HydrophobicContact CE-CG2 4.49Å; M157-T208 HydrophobicContact CG-CG2 4.03Å; M157-T208 HydrophobicContact SD-CG2 4.48Å; M157-M284 HydrophobicContact CE-CE 3.81Å; M157-M284 HydrophobicContact SD-CE 3.85Å
158L95.2Very high93.7Very high0 Ų018.9 Ų18.90%012%0.115CC..EExtended strand (participates in β ladder)trans-119.8127.4178.9-53.7177000108.5V113 L122 M138 I146 R148 A149 V156 V165 H166 F168 P187V113-L158 HydrophobicContact CG2-CD2 4.36Å; L122-L158 HydrophobicContact CD2-CD1 4.23Å; M138-L158 HydrophobicContact CE-CD1 3.39Å; M138-L158 HydrophobicContact SD-CD1 3.64Å; I146-L158 HydrophobicContact CD1-CB 4.15Å; I146-L158 HydrophobicContact CG2-CB 4.36Å; I146-L158 HydrophobicContact CG2-CD2 4.43Å; R148-L158 WeakPolarHBondContact O-CA 3.47Å; A149-L158 HydrophobicContact CB-CD2 3.51Å; V156-L158 HydrophobicContact CG1-CD2 3.79Å; V156-L158 HydrophobicContact CG1-CG 4.23Å; L158-V165 CarbonylContact O-C 3.55Å; L158-V165 WeakPolarHBondContact O-CA 3.31Å; L158-H166 HydrophobicContact CB-CB 4.29Å; L158-H166 PolarHBondContact N-O 3.15Å; L158-H166 PolarHBondContact O-N 2.78Å; L158-F168 HydrophobicContact CD1-CE1 4.08Å; L158-F168 HydrophobicContact CG-CE1 4.38Å; L158-P187 HydrophobicContact CD1-CB 4.15Å; L158-P187 HydrophobicContact CD1-CG 4Å
159L94.5Very high93.7Very high2 Ų216.9 Ų16.91%0.0111%0.113CC..EExtended strand (participates in β ladder)trans-105.3129.9172.1178.563.6000108.5I146 V147 R148 V165 I198 I201I146-L159 CarbonylContact C-O 3.52Å; I146-L159 WeakPolarHBondContact CA-O 3.37Å; V147-L159 HydrophobicContact CG2-CB 4.34Å; V147-L159 HydrophobicContact CG2-CD2 4.16Å; V147-L159 HydrophobicContact CG2-CG 3.91Å; V147-L159 WeakPolarHBondContact CG2-O 3.32Å; V147-L159 PolarHBondContact N-O 2.81Å; R148-L159 HydrophobicContact CB-CB 4.08Å; R148-L159 HydrophobicContact CG-CD2 4.37Å; R148-L159 PolarHBondContact N-O 2.84Å; R148-L159 PolarHBondContact O-N 2.84Å; L159-V165 HydrophobicContact CD1-CG2 4.1Å; L159-I198 HydrophobicContact CD1-CB 3.92Å; L159-I198 HydrophobicContact CD1-CG2 3.77Å; L159-I201 HydrophobicContact CB-CD1 3.95Å; L159-I201 HydrophobicContact CB-CG1 4.07Å; L159-I201 HydrophobicContact CD2-CG1 4.47Å
160D93.4Very high93.6Very high1 Ų117.9 Ų17.91%0.00512%0.119CC..EExtended strand (participates in β ladder)trans-99.1167.31747229.1000113.7K145 I146 A162 G163 R164 H166K145-D160 CarbonylContact O-C 3.54Å; K145-D160 WeakPolarHBondContact O-CA 2.9Å; K145-D160 WeakPolarHBondContact O-CB 3.47Å; I146-D160 HydrophobicContact CD1-CB 3.88Å; D160-A162 PolarHBondContact O-N 2.78Å; D160-A162 WeakPolarHBondContact OD1-CA 3.42Å; D160-A162 WeakPolarHBondContact OD1-CB 3.3Å; D160-A162 PolarHBondContact OD1-N 2.81Å; D160-A162 VanDerWaalsContact OD1-N 3.09Å; D160-G163 WeakPolarHBondContact O-CA 3.34Å; D160-G163 PolarHBondContact O-N 2.92Å; D160-G163 PolarHBondContact OD1-N 2.91Å; D160-G163 VanDerWaalsContact OD1-N 3.14Å; D160-R164 PolarHBondContact N-O 2.81Å; D160-R164 WeakPolarHBondContact OD1-CB 3.22Å; D160-R164 PolarHBondContact OD1-N 3.16Å; D160-R164 IonicContact OD1-NE 2.67Å; D160-R164 PolarHBondContact OD1-NE 2.77Å; D160-R164 IonicContact OD2-CZ 2.73Å; D160-R164 IonicContact OD2-NE 3.12Å; D160-R164 PolarHBondContact OD2-NE 3.19Å; D160-R164 IonicContact OD2-NH2 3.13Å; D160-R164 PolarHBondContact OD2-NH2 2.76Å; D160-H166 IonicContact OD2-CD2 3.44Å; D160-H166 IonicContact OD2-NE2 3.49Å; D160-H166 PolarHBondContact OD2-NE2 2.91Å; D160-H166 VanDerWaalsContact OD2-NE2 3.13Å
161S92.1Very high93.5Very high46 Ų4615 Ų1532%0.32210%0.104SC..THydrogen-bonded Turntrans-63.3-23.2-177.357.80000113.5K145 G163 R197K145-S161 PolarHBondContact N-OG 2.77Å; K145-S161 VanDerWaalsContact N-OG 3.12Å; K145-S161 PolarHBondContact O-N 3.37Å; S161-G163 PolarHBondContact O-N 2.84Å; S161-R197 PolarHBondContact O-NH2 3.48Å
162A91.7Very high93.2Very high45 Ų4517.9 Ų17.937%0.37212%0.119SC..THydrogen-bonded Turntrans-77.2-7.4172.600000112.6T144 D160 R164T144-A162 HydrophobicContact CG2-CB 3.85Å; D160-A162 PolarHBondContact O-N 2.78Å; D160-A162 WeakPolarHBondContact OD1-CA 3.42Å; D160-A162 WeakPolarHBondContact OD1-CB 3.3Å; D160-A162 PolarHBondContact OD1-N 2.81Å; D160-A162 VanDerWaalsContact OD1-N 3.09Å; A162-R164 HydrophobicContact CB-CG 4.32Å
163G92.5Very high92.9Very high2 Ų224.7 Ų24.72%0.02114%0.143CC..SBendtrans79.729.9-17900000113D160 S161 I198D160-G163 WeakPolarHBondContact O-CA 3.34Å; D160-G163 PolarHBondContact O-N 2.92Å; D160-G163 PolarHBondContact OD1-N 2.91Å; D160-G163 VanDerWaalsContact OD1-N 3.14Å; S161-G163 PolarHBondContact O-N 2.84Å; G163-I198 WeakPolarHBondContact CA-O 3.37Å; G163-I198 WeakPolarHBondContact O-CB 2.89Å; G163-I198 PolarHBondContact O-N 2.9Å
164R93.4Very high92.8Very high50 Ų5023 Ų2319%0.18914%0.135CC..  trans-101.8147.6173.9-52.7172-61.9-170.7-0.8110.2T141 T144 D160 A162 L189T141-R164 VanDerWaalsContact CB-NH1 3.31Å; T141-R164 PolarHBondContact OG1-NH1 2.88Å; T144-R164 PolarHBondContact OG1-NH2 3.44Å; D160-R164 PolarHBondContact N-O 2.81Å; D160-R164 WeakPolarHBondContact OD1-CB 3.22Å; D160-R164 PolarHBondContact OD1-N 3.16Å; D160-R164 IonicContact OD1-NE 2.67Å; D160-R164 PolarHBondContact OD1-NE 2.77Å; D160-R164 IonicContact OD2-CZ 2.73Å; D160-R164 IonicContact OD2-NE 3.12Å; D160-R164 PolarHBondContact OD2-NE 3.19Å; D160-R164 IonicContact OD2-NH2 3.13Å; D160-R164 PolarHBondContact OD2-NH2 2.76Å; A162-R164 HydrophobicContact CB-CG 4.32Å; R164-L189 HydrophobicContact CB-CD1 3.72Å; R164-L189 HydrophobicContact CG-CD1 4.41Å
165V94.7Very high92.6Very high0 Ų020.9 Ų20.90%012%0.116CC..EExtended strand (participates in β ladder)trans-108.2131.2-178-175.40000109.2M157 L158 L159 L190 I198 I201 M284M157-V165 HydrophobicContact SD-CG1 4.03Å; L158-V165 CarbonylContact O-C 3.55Å; L158-V165 WeakPolarHBondContact O-CA 3.31Å; L159-V165 HydrophobicContact CD1-CG2 4.1Å; V165-L190 HydrophobicContact CG1-CD1 4.4Å; V165-L190 HydrophobicContact CG1-CD2 4.38Å; V165-L190 WeakPolarHBondContact O-CB 3.39Å; V165-L190 PolarHBondContact O-N 2.67Å; V165-I198 HydrophobicContact CG2-CB 4.02Å; V165-I198 HydrophobicContact CG2-CG1 3.81Å; V165-I198 HydrophobicContact CG2-CG2 3.95Å; V165-I201 HydrophobicContact CG2-CG2 3.98Å; V165-M284 HydrophobicContact CG1-CE 4.32Å
166H95.6Very high92.5Very high7 Ų720.9 Ų20.93%0.03212%0.116CC..EExtended strand (participates in β ladder)trans-116.5144.4171.7-53.5-109.2000109M157 L158 D160 P187 S188M157-H166 WeakPolarHBondContact CA-O 3.45Å; L158-H166 HydrophobicContact CB-CB 4.29Å; L158-H166 PolarHBondContact N-O 3.15Å; L158-H166 PolarHBondContact O-N 2.78Å; D160-H166 IonicContact OD2-CD2 3.44Å; D160-H166 IonicContact OD2-NE2 3.49Å; D160-H166 PolarHBondContact OD2-NE2 2.91Å; D160-H166 VanDerWaalsContact OD2-NE2 3.13Å; H166-P187 HydrophobicContact CB-CB 4.32Å; H166-S188 CarbonylContact C-O 3.56Å; H166-S188 WeakPolarHBondContact CA-O 3.31Å
167S95.7Very high92.3Very high0 Ų021.3 Ų21.30%012%0.121CC..EExtended strand (participates in β ladder)trans-136.7154.3178.6860000112.7V156 M157 L176 H178 S188V156-S167 VanDerWaalsContact O-CA 3.29Å; V156-S167 WeakPolarHBondContact O-CA 3.35Å; M157-S167 WeakPolarHBondContact SD-CB 3.5Å; S167-L176 WeakPolarHBondContact OG-CA 3.21Å; S167-L176 VanDerWaalsContact OG-CB 3.31Å; S167-L176 WeakPolarHBondContact OG-CB 3.28Å; S167-L176 PolarHBondContact OG-O 2.83Å; S167-H178 PolarHBondContact OG-NE2 3.38Å; S167-S188 PolarHBondContact N-O 2.75Å; S167-S188 PolarHBondContact O-N 3.33Å
168F96Very high92.1Very high1 Ų122.7 Ų22.70%0.00413%0.127CC..EExtended strand (participates in β ladder)trans-160.9170.9171.767.7-73.9000111.6Y111 L122 L136 F155 V156 L158 L176 R184 E186 P187Y111-F168 HydrophobicContact CD1-CE2 4.17Å; Y111-F168 HydrophobicContact CD1-CZ 4.02Å; Y111-F168 AromaticContact CE1-CE2 3.63Å; Y111-F168 HydrophobicContact CE1-CE2 3.63Å; Y111-F168 AromaticContact CE1-CZ 3.97Å; Y111-F168 HydrophobicContact CE1-CZ 3.97Å; Y111-F168 HydrophobicContact CE2-CE2 4.29Å; Y111-F168 HydrophobicContact CE2-CZ 4.45Å; Y111-F168 HydrophobicContact CG-CZ 4.31Å; Y111-F168 AromaticContact CZ-CE2 3.69Å; L122-F168 HydrophobicContact CD2-CE1 3.81Å; L122-F168 HydrophobicContact CD2-CE2 4.48Å; L122-F168 HydrophobicContact CD2-CZ 3.68Å; L136-F168 HydrophobicContact CD1-CE2 3.99Å; L136-F168 HydrophobicContact CD1-CZ 4.34Å; F155-F168 CarbonylContact C-O 3.59Å; F155-F168 WeakPolarHBondContact CA-O 3.48Å; F155-F168 WeakPolarHBondContact CB-O 3.25Å; V156-F168 HydrophobicContact CB-CD1 3.93Å; V156-F168 HydrophobicContact CB-CE1 3.38Å; V156-F168 HydrophobicContact CB-CE2 4.27Å; V156-F168 HydrophobicContact CB-CZ 3.57Å; V156-F168 HydrophobicContact CG1-CD1 4.32Å; V156-F168 HydrophobicContact CG1-CE1 3.45Å; V156-F168 VanDerWaalsContact CG1-CE1 3.45Å; V156-F168 HydrophobicContact CG1-CZ 3.79Å; V156-F168 HydrophobicContact CG2-CE1 4.09Å; V156-F168 HydrophobicContact CG2-CE2 4.17Å; V156-F168 HydrophobicContact CG2-CZ 3.71Å; V156-F168 PolarHBondContact N-O 2.8Å; V156-F168 PolarHBondContact O-N 3.2Å; V156-F168 VanDerWaalsContact O-N 3.12Å; L158-F168 HydrophobicContact CD1-CE1 4.08Å; L158-F168 HydrophobicContact CG-CE1 4.38Å; F168-L176 VanDerWaalsContact C-CD2 3.47Å; F168-L176 WeakPolarHBondContact O-CD2 2.95Å; F168-R184 HydrophobicContact CB-CB 4.48Å; F168-E186 VanDerWaalsContact CB-C 3.47Å; F168-E186 WeakPolarHBondContact CB-O 3.3Å; F168-P187 HydrophobicContact CD1-CB 4.07Å; F168-P187 HydrophobicContact CD1-CG 3.57Å; F168-P187 HydrophobicContact CE1-CG 3.77Å; F168-P187 HydrophobicContact CG-CG 4.13Å
169G93.9Very high91.7Very high18 Ų1825.2 Ų25.219%0.18615%0.153CC..EExtended strand (participates in β ladder)trans107.2-143.3-176.600000112.2G171 S183 R184G169-G171 PolarHBondContact O-N 3.49Å; G169-S183 CarbonylContact O-C 3.46Å; G169-S183 VanDerWaalsContact O-CA 3.3Å; G169-S183 WeakPolarHBondContact O-CA 3.29Å; G169-S183 VanDerWaalsContact O-CB 3.25Å; G169-S183 WeakPolarHBondContact O-CB 3.25Å; G169-R184 WeakPolarHBondContact CA-O 3.49Å; G169-R184 PolarHBondContact N-O 3.36Å; G169-R184 PolarHBondContact O-N 2.97Å
170C92Very high91.5Very high30 Ų3026.7 Ų26.720%0.20316%0.164CC..  trans-68.5124178.3-174.30000110.8A154 T172A154-C170 HydrophobicContact CB-CB 3.62Å; A154-C170 VanDerWaalsContact O-CB 3.31Å; A154-C170 WeakPolarHBondContact O-CB 3.25Å; A154-C170 PolarHBondContact O-N 3.43Å; C170-T172 PolarHBondContact SG-OG1 3.47Å
171G91.2Very high91.4Very high0 Ų030.3 Ų30.30%018%0.182CC..  trans-114.612173.800000113.9G169 R173 G174 E175 L181 S183G169-G171 PolarHBondContact O-N 3.49Å; G171-R173 PolarHBondContact O-N 2.71Å; G171-R173 VanDerWaalsContact O-N 3.08Å; G171-G174 VanDerWaalsContact O-CA 3.29Å; G171-G174 WeakPolarHBondContact O-CA 3.29Å; G171-G174 PolarHBondContact O-N 3.16Å; G171-E175 WeakPolarHBondContact CA-OE2 3.43Å; G171-L181 CarbonylContact C-O 3.4Å; G171-L181 CarbonylContact O-C 3.55Å; G171-L181 WeakPolarHBondContact O-CA 3.38Å; G171-L181 VanDerWaalsContact O-O 3.1Å; G171-S183 PolarHBondContact N-OG 3.4Å
172T89.2Confident91.5Very high82 Ų8234.4 Ų34.450%0.50320%0.197SC..THydrogen-bonded Turntrans-66.6-12.8-170.163.20000115C170 E175C170-T172 PolarHBondContact SG-OG1 3.47Å; T172-E175 PolarHBondContact N-OE2 3.03Å
173R84.6Confident91.6Very high149 Ų14935.7 Ų35.756%0.56220%0.202SC*.THydrogen-bonded Turntrans-118.913171.7-47171.6172.4-87.6-1.7111.1G171 E175G171-R173 PolarHBondContact O-N 2.71Å; G171-R173 VanDerWaalsContact O-N 3.08Å; R173-E175 VanDerWaalsContact C-N 3.26Å; R173-E175 VanDerWaalsContact C-OE2 3.3Å; R173-E175 VanDerWaalsContact CA-OE2 3.31Å; R173-E175 WeakPolarHBondContact CA-OE2 3.18Å; R173-E175 VanDerWaalsContact CB-CD 3.46Å; R173-E175 HydrophobicContact CB-CG 4.23Å; R173-E175 WeakPolarHBondContact CB-OE1 3.31Å; R173-E175 WeakPolarHBondContact CD-OE1 2.77Å; R173-E175 WeakPolarHBondContact CG-OE1 3.25Å; R173-E175 PolarHBondContact N-OE2 2.67Å; R173-E175 PolarHBondContact O-N 2.89Å
174G87.6Confident91.7Very high0 Ų039.3 Ų39.30%022%0.216CC..  trans49.542.5-170.600000114.8G171 L176 G177 S286G171-G174 VanDerWaalsContact O-CA 3.29Å; G171-G174 WeakPolarHBondContact O-CA 3.29Å; G171-G174 PolarHBondContact O-N 3.16Å; G174-L176 PolarHBondContact O-N 3.1Å; G174-G177 PolarHBondContact O-N 3.08Å; G174-G177 VanDerWaalsContact O-N 3.09Å; G174-S286 PolarHBondContact O-N 2.78Å
175E88.8Confident91.6Very high4 Ų443 Ų432%0.01924%0.243CC..THydrogen-bonded Turntrans-52.5-31.9166.3-5593.2149.300111.3F155 M157 G171 T172 R173 G177 W206F155-E175 HydrophobicContact CB-CB 4.5Å; F155-E175 HydrophobicContact CD1-CB 3.65Å; F155-E175 HydrophobicContact CD1-CG 3.97Å; F155-E175 HydrophobicContact CD2-CB 4.03Å; F155-E175 HydrophobicContact CE1-CB 3.76Å; F155-E175 HydrophobicContact CE1-CG 3.98Å; F155-E175 HydrophobicContact CE2-CB 4.12Å; F155-E175 HydrophobicContact CG-CB 3.79Å; F155-E175 HydrophobicContact CZ-CB 3.99Å; M157-E175 WeakPolarHBondContact CE-O 3.42Å; G171-E175 WeakPolarHBondContact CA-OE2 3.43Å; T172-E175 PolarHBondContact N-OE2 3.03Å; R173-E175 VanDerWaalsContact C-N 3.26Å; R173-E175 VanDerWaalsContact C-OE2 3.3Å; R173-E175 VanDerWaalsContact CA-OE2 3.31Å; R173-E175 WeakPolarHBondContact CA-OE2 3.18Å; R173-E175 VanDerWaalsContact CB-CD 3.46Å; R173-E175 HydrophobicContact CB-CG 4.23Å; R173-E175 WeakPolarHBondContact CB-OE1 3.31Å; R173-E175 WeakPolarHBondContact CD-OE1 2.77Å; R173-E175 WeakPolarHBondContact CG-OE1 3.25Å; R173-E175 PolarHBondContact N-OE2 2.67Å; R173-E175 PolarHBondContact O-N 2.89Å; E175-G177 VanDerWaalsContact C-N 3.3Å; E175-G177 PolarHBondContact O-N 3.27Å; E175-W206 HydrophobicContact CG-CB 4.22Å; E175-W206 WeakPolarHBondContact CG-O 3.22Å
176L91.4Very high91.5Very high1 Ų147.2 Ų47.21%0.00526%0.264CS..THydrogen-bonded Turntrans-73-15.6-179.3-57.4-170.4000114.3F155 S167 F168 G174 H178 R184F155-L176 HydrophobicContact CB-CD2 3.75Å; F155-L176 HydrophobicContact CD2-CD2 4.38Å; F155-L176 HydrophobicContact CG-CD2 4.42Å; S167-L176 WeakPolarHBondContact OG-CA 3.21Å; S167-L176 VanDerWaalsContact OG-CB 3.31Å; S167-L176 WeakPolarHBondContact OG-CB 3.28Å; S167-L176 PolarHBondContact OG-O 2.83Å; F168-L176 VanDerWaalsContact C-CD2 3.47Å; F168-L176 WeakPolarHBondContact O-CD2 2.95Å; G174-L176 PolarHBondContact O-N 3.1Å; L176-H178 VanDerWaalsContact C-N 3.27Å; L176-H178 PolarHBondContact O-N 3.06Å; L176-R184 HydrophobicContact CD1-CB 4.09Å; L176-R184 HydrophobicContact CD1-CG 3.96Å
177G89.4Confident91.5Very high10 Ų1047.7 Ų47.710%0.10327%0.267CS..  trans63.825.7176.200000115.2G174 E175 Y192G174-G177 PolarHBondContact O-N 3.08Å; G174-G177 VanDerWaalsContact O-N 3.09Å; E175-G177 VanDerWaalsContact C-N 3.3Å; E175-G177 PolarHBondContact O-N 3.27Å; G177-Y192 WeakPolarHBondContact O-CD2 3.37Å; G177-Y192 WeakPolarHBondContact O-CE2 3.31Å
178H90.7Very high91.4Very high29 Ų2948.9 Ų48.913%0.13428%0.276CS..SBendtrans-92.611.4177.5-69.7-62.5000114.3S167 L176 S180 R184 S188 L189S167-H178 PolarHBondContact OG-NE2 3.38Å; L176-H178 VanDerWaalsContact C-N 3.27Å; L176-H178 PolarHBondContact O-N 3.06Å; H178-S180 PolarHBondContact O-N 3.09Å; H178-R184 PolarHBondContact CD2-NE 3.45Å; H178-R184 VanDerWaalsContact CD2-NE 3.32Å; H178-S188 PolarHBondContact CE1-O 3.41Å; H178-S188 VanDerWaalsContact CE1-O 3.3Å; H178-S188 WeakPolarHBondContact NE2-CB 3.09Å; H178-L189 PolarHBondContact CE1-O 2.72Å
179G88Confident91.4Very high52 Ų5250.9 Ų50.954%0.53629%0.286SS..SBendtrans71.69.7-17700000114.7Y192G179-Y192 VanDerWaalsContact CA-OH 3.24Å; G179-Y192 WeakPolarHBondContact CA-OH 3.39Å; G179-Y192 PolarHBondContact N-OH 2.8Å
180S89.2Confident91.3Very high34 Ų3450.1 Ų50.124%0.23828%0.277CS..SBendtrans-135.4168.6175.275.40000110.8H178 E182H178-S180 PolarHBondContact O-N 3.09Å; S180-E182 VanDerWaalsContact C-N 3.32Å; S180-E182 PolarHBondContact OG-N 3.21Å
181L91.8Very high91.2Very high77 Ų7754.4 Ų54.440%0.40329%0.294SS..  trans-96.718.8174.7-59.6-179.2000112.7G171 S286G171-L181 CarbonylContact C-O 3.4Å; G171-L181 CarbonylContact O-C 3.55Å; G171-L181 WeakPolarHBondContact O-CA 3.38Å; G171-L181 VanDerWaalsContact O-O 3.1Å; L181-S286 VanDerWaalsContact CD2-OG 3.31Å; L181-S286 WeakPolarHBondContact CD2-OG 3.13Å
182E93.7Very high90.9Very high132 Ų13258.1 Ų58.162%0.61731%0.309SS*.  trans-83.9133.5-176.3-65.6179.3163.900110.7S180S180-E182 VanDerWaalsContact C-N 3.32Å; S180-E182 PolarHBondContact OG-N 3.21Å
183S94.6Very high90.6Very high71 Ų7154.7 Ų54.750%0.49729%0.287SS..  trans-77.9149.7171.7-59.60000110.3G169 G171G169-S183 CarbonylContact O-C 3.46Å; G169-S183 VanDerWaalsContact O-CA 3.3Å; G169-S183 WeakPolarHBondContact O-CA 3.29Å; G169-S183 VanDerWaalsContact O-CB 3.25Å; G169-S183 WeakPolarHBondContact O-CB 3.25Å; G171-S183 PolarHBondContact N-OG 3.4Å
184R94.6Very high90.7Very high79 Ų7952.7 Ų52.730%0.29829%0.287SS..EExtended strand (participates in β ladder)trans-127.9136.9-179.8-60.3-169.2179-153.22.4110.1F168 G169 L176 H178 S188F168-R184 HydrophobicContact CB-CB 4.48Å; G169-R184 WeakPolarHBondContact CA-O 3.49Å; G169-R184 PolarHBondContact N-O 3.36Å; G169-R184 PolarHBondContact O-N 2.97Å; L176-R184 HydrophobicContact CD1-CB 4.09Å; L176-R184 HydrophobicContact CD1-CG 3.96Å; H178-R184 PolarHBondContact CD2-NE 3.45Å; H178-R184 VanDerWaalsContact CD2-NE 3.32Å; R184-S188 VanDerWaalsContact CD-OG 3.27Å; R184-S188 WeakPolarHBondContact CD-OG 3.3Å; R184-S188 PolarHBondContact NH1-OG 2.75Å
185T91.5Very high90.6Very high126 Ų12655.3 Ų55.377%0.77331%0.306SS*.EExtended strand (participates in β ladder)trans-89.5-17.8-179.949.90000113.3
186E91.9Very high90.4Very high90 Ų9055.4 Ų55.442%0.42131%0.307SS..EExtended strand (participates in β ladder)trans-125.7147.8-178.9-63.8-174.7159.100110.7F168 S188F168-E186 VanDerWaalsContact CB-C 3.47Å; F168-E186 WeakPolarHBondContact CB-O 3.3Å; E186-S188 PolarHBondContact O-N 2.85Å; E186-S188 PolarHBondContact O-OG 3.12Å
187P95.3Very high90.4Very high16 Ų1661.3 Ų61.310%0.10433%0.329CS..EExtended strand (participates in β ladder)trans-51.8128.9176.1-28.937.7000112.7L122 M138 L158 H166 F168L122-P187 HydrophobicContact CD2-CG 3.45Å; L122-P187 VanDerWaalsContact CD2-CG 3.45Å; M138-P187 HydrophobicContact CE-CB 4.13Å; M138-P187 HydrophobicContact CE-CG 4.35Å; M138-P187 HydrophobicContact CG-CB 4.04Å; M138-P187 HydrophobicContact CG-CG 3.65Å; M138-P187 HydrophobicContact SD-CB 4.42Å; M138-P187 HydrophobicContact SD-CG 4.02Å; L158-P187 HydrophobicContact CD1-CB 4.15Å; L158-P187 HydrophobicContact CD1-CG 4Å; H166-P187 HydrophobicContact CB-CB 4.32Å; F168-P187 HydrophobicContact CD1-CB 4.07Å; F168-P187 HydrophobicContact CD1-CG 3.57Å; F168-P187 HydrophobicContact CE1-CG 3.77Å; F168-P187 HydrophobicContact CG-CG 4.13Å
188S94.4Very high90.5Very high26 Ų2660.9 Ų60.918%0.18233%0.325CS..EExtended strand (participates in β ladder)trans-126.5136178.9-72.10000111.1H166 S167 H178 R184 E186H166-S188 CarbonylContact C-O 3.56Å; H166-S188 WeakPolarHBondContact CA-O 3.31Å; S167-S188 PolarHBondContact N-O 2.75Å; S167-S188 PolarHBondContact O-N 3.33Å; H178-S188 PolarHBondContact CE1-O 3.41Å; H178-S188 VanDerWaalsContact CE1-O 3.3Å; H178-S188 WeakPolarHBondContact NE2-CB 3.09Å; R184-S188 VanDerWaalsContact CD-OG 3.27Å; R184-S188 WeakPolarHBondContact CD-OG 3.3Å; R184-S188 PolarHBondContact NH1-OG 2.75Å; E186-S188 PolarHBondContact O-N 2.85Å; E186-S188 PolarHBondContact O-OG 3.12Å
189L94.9Very high90.6Very high42 Ų4262 Ų6222%0.2233%0.331CS..EExtended strand (participates in β ladder)trans-67.5136.1179.6178.961.2000112R164 H178R164-L189 HydrophobicContact CB-CD1 3.72Å; R164-L189 HydrophobicContact CG-CD1 4.41Å; H178-L189 PolarHBondContact CE1-O 2.72Å
190L92.8Very high90.8Very high2 Ų260.9 Ų60.91%0.0131%0.313CS..  trans-89105.5171-82.273.5000110.4V165 Y192 F193 M284V165-L190 HydrophobicContact CG1-CD1 4.4Å; V165-L190 HydrophobicContact CG1-CD2 4.38Å; V165-L190 WeakPolarHBondContact O-CB 3.39Å; V165-L190 PolarHBondContact O-N 2.67Å; L190-Y192 VanDerWaalsContact C-N 3.31Å; L190-Y192 PolarHBondContact O-N 2.88Å; L190-F193 HydrophobicContact CB-CD2 4.21Å; L190-F193 HydrophobicContact CD2-CE2 4.18Å; L190-M284 HydrophobicContact CD2-CE 4.16Å; L190-M284 HydrophobicContact CD2-SD 3.21Å; L190-M284 WeakPolarHBondContact CD2-SD 3.04Å
191H90.1Very high91Very high120 Ų12059.5 Ų59.556%0.55630%0.302SS*.G310 helixtrans-75.7-12-176.2-70.7-73000115.4F193 D194H191-F193 PolarHBondContact O-N 2.85Å; H191-F193 VanDerWaalsContact O-N 3.1Å; H191-D194 WeakPolarHBondContact CA-OD1 3.03Å; H191-D194 IonicContact CG-OD2 3.79Å; H191-D194 IonicContact ND1-OD1 3.48Å; H191-D194 PolarHBondContact ND1-OD1 2.92Å; H191-D194 IonicContact ND1-OD2 3.1Å; H191-D194 PolarHBondContact ND1-OD2 2.87Å; H191-D194 VanDerWaalsContact ND1-OD2 3.1Å; H191-D194 VanDerWaalsContact O-CG 3.24Å; H191-D194 PolarHBondContact O-N 2.91Å; H191-D194 VanDerWaalsContact O-N 3.16Å
192Y83.5Confident91.1Very high79 Ų7956.1 Ų56.131%0.3129%0.285SS..G310 helixtrans-59.1-24.4177.4-65.7-78.2000113G177 G179 L190 T222G177-Y192 WeakPolarHBondContact O-CD2 3.37Å; G177-Y192 WeakPolarHBondContact O-CE2 3.31Å; G179-Y192 VanDerWaalsContact CA-OH 3.24Å; G179-Y192 WeakPolarHBondContact CA-OH 3.39Å; G179-Y192 PolarHBondContact N-OH 2.8Å; L190-Y192 VanDerWaalsContact C-N 3.31Å; L190-Y192 PolarHBondContact O-N 2.88Å; Y192-T222 WeakPolarHBondContact CD1-O 3.46Å; Y192-T222 HydrophobicContact CE1-CG2 4.05Å
193F84.8Confident91.1Very high9 Ų950.8 Ų50.84%0.03926%0.262CS..G310 helixtrans-103.713.7-177.3-54-69.1000113.4L190 H191 S195 T196 I198 A210 P223 R282 M284L190-F193 HydrophobicContact CB-CD2 4.21Å; L190-F193 HydrophobicContact CD2-CE2 4.18Å; H191-F193 PolarHBondContact O-N 2.85Å; H191-F193 VanDerWaalsContact O-N 3.1Å; F193-S195 PolarHBondContact O-N 3.19Å; F193-T196 CarbonylContact O-C 3.47Å; F193-T196 PolarHBondContact O-N 2.77Å; F193-I198 HydrophobicContact CB-CG1 4.29Å; F193-I198 HydrophobicContact CD1-CD1 3.63Å; F193-I198 HydrophobicContact CD1-CG1 4.15Å; F193-I198 HydrophobicContact CD2-CG1 4.29Å; F193-I198 HydrophobicContact CE1-CD1 3.75Å; F193-I198 HydrophobicContact CE1-CG1 4.46Å; F193-I198 HydrophobicContact CG-CD1 4.03Å; F193-I198 HydrophobicContact CG-CG1 4.02Å; F193-I198 HydrophobicContact CZ-CD1 4.29Å; F193-A210 HydrophobicContact CE1-CB 4.49Å; F193-A210 HydrophobicContact CZ-CB 4Å; F193-P223 HydrophobicContact CE1-CG 3.69Å; F193-P223 HydrophobicContact CE2-CG 4.15Å; F193-P223 HydrophobicContact CZ-CG 3.31Å; F193-R282 VanDerWaalsContact CD1-NH1 3.31Å; F193-R282 HydrophobicContact CE1-CB 4.38Å; F193-R282 HydrophobicContact CE1-CG 4.44Å; F193-M284 HydrophobicContact CE2-SD 3.75Å; F193-M284 HydrophobicContact CZ-CG 4.46Å; F193-M284 HydrophobicContact CZ-SD 4.06Å
194D86Confident90.9Very high107 Ų10747.6 Ų47.657%0.57224%0.241SC*.THydrogen-bonded Turntrans-56.5-26.5-177.9-75.9-8.2000112.8H191H191-D194 WeakPolarHBondContact CA-OD1 3.03Å; H191-D194 IonicContact CG-OD2 3.79Å; H191-D194 IonicContact ND1-OD1 3.48Å; H191-D194 PolarHBondContact ND1-OD1 2.92Å; H191-D194 IonicContact ND1-OD2 3.1Å; H191-D194 PolarHBondContact ND1-OD2 2.87Å; H191-D194 VanDerWaalsContact ND1-OD2 3.1Å; H191-D194 VanDerWaalsContact O-CG 3.24Å; H191-D194 PolarHBondContact O-N 2.91Å; H191-D194 VanDerWaalsContact O-N 3.16Å
195S84.4Confident90.6Very high56 Ų5644 Ų4439%0.39223%0.227SC..THydrogen-bonded Turntrans-112.630173.172.90000113F193 Q216F193-S195 PolarHBondContact O-N 3.19Å; S195-Q216 PolarHBondContact O-OE1 3.45Å
196T86.1Confident90.4Very high6 Ų642.8 Ų42.84%0.03721%0.209CC..SBendtrans-148.7117175.8-55.10000110.9F193 I198 T212F193-T196 CarbonylContact O-C 3.47Å; F193-T196 PolarHBondContact O-N 2.77Å; T196-I198 PolarHBondContact O-N 3.47Å; T196-T212 HydrophobicContact CG2-CG2 3.46Å; T196-T212 VanDerWaalsContact CG2-CG2 3.46Å
197R89.7Confident90.2Very high125 Ų12539.8 Ų39.847%0.47220%0.195SC..  trans-73118.3173.5-168.5176.3-173.5-92.2-3.9110.8S161 G213S161-R197 PolarHBondContact O-NH2 3.48Å; R197-G213 PolarHBondContact O-N 2.79Å
198I92.4Very high90Very high1 Ų139 Ų391%0.00519%0.19CC..EExtended strand (participates in β ladder)trans-80.4131.1168.3-58.2-49.5000109L159 G163 V165 F193 T196 D200 I201 A210 L211 T212L159-I198 HydrophobicContact CD1-CB 3.92Å; L159-I198 HydrophobicContact CD1-CG2 3.77Å; G163-I198 WeakPolarHBondContact CA-O 3.37Å; G163-I198 WeakPolarHBondContact O-CB 2.89Å; G163-I198 PolarHBondContact O-N 2.9Å; V165-I198 HydrophobicContact CG2-CB 4.02Å; V165-I198 HydrophobicContact CG2-CG1 3.81Å; V165-I198 HydrophobicContact CG2-CG2 3.95Å; F193-I198 HydrophobicContact CB-CG1 4.29Å; F193-I198 HydrophobicContact CD1-CD1 3.63Å; F193-I198 HydrophobicContact CD1-CG1 4.15Å; F193-I198 HydrophobicContact CD2-CG1 4.29Å; F193-I198 HydrophobicContact CE1-CD1 3.75Å; F193-I198 HydrophobicContact CE1-CG1 4.46Å; F193-I198 HydrophobicContact CG-CD1 4.03Å; F193-I198 HydrophobicContact CG-CG1 4.02Å; F193-I198 HydrophobicContact CZ-CD1 4.29Å; T196-I198 PolarHBondContact O-N 3.47Å; I198-D200 WeakPolarHBondContact CG2-O 3.29Å; I198-I201 HydrophobicContact CG2-CG2 3.9Å; I198-A210 HydrophobicContact CD1-CB 4.02Å; I198-A210 HydrophobicContact CG1-CB 4.49Å; I198-A210 HydrophobicContact CG2-CB 4.26Å; I198-L211 WeakPolarHBondContact CA-O 3.33Å; I198-L211 WeakPolarHBondContact CG2-O 3.38Å; I198-T212 HydrophobicContact CD1-CG2 3.89Å
199I92.3Very high89.9Confident53 Ų5337.8 Ų37.827%0.27218%0.181SC..EExtended strand (participates in β ladder)trans-103.2-24.3178.463.7171.1000112L211 T212I199-L211 HydrophobicContact CD1-CD2 3.74Å; I199-L211 HydrophobicContact CD1-CG 3.8Å; I199-L211 HydrophobicContact CG1-CB 4.08Å; I199-L211 HydrophobicContact CG1-CD2 3.87Å; I199-L211 HydrophobicContact CG1-CG 3.68Å; I199-L211 WeakPolarHBondContact CG1-O 3.15Å; I199-L211 PolarHBondContact N-O 2.81Å; I199-T212 WeakPolarHBondContact CD1-O 3.39Å
200D92.9Very high89.8Confident28 Ų2835.8 Ų35.815%0.1517%0.171CC..EExtended strand (participates in β ladder)trans-154.7158.7177.9-153.46.3000112.4R148 I198 L211 I237R148-D200 WeakPolarHBondContact CD-OD1 3.47Å; R148-D200 IonicContact CZ-OD1 2.87Å; R148-D200 VanDerWaalsContact CZ-OD1 3.27Å; R148-D200 IonicContact NE-OD1 3.42Å; R148-D200 PolarHBondContact NE-OD1 3.09Å; R148-D200 IonicContact NH2-OD1 3.94Å; R148-D200 PolarHBondContact NH2-OD1 2.86Å; R148-D200 IonicContact NH2-OD2 3.91Å; I198-D200 WeakPolarHBondContact CG2-O 3.29Å; D200-L211 HydrophobicContact CB-CB 3.93Å; D200-L211 HydrophobicContact CB-CD2 4.12Å; D200-L211 PolarHBondContact N-O 2.82Å; D200-L211 PolarHBondContact O-N 2.58Å; D200-I237 HydrophobicContact CB-CD1 4.42Å; D200-I237 HydrophobicContact CB-CG1 4.41Å
201I93.8Very high89.7Confident4 Ų435.9 Ų35.92%0.02117%0.171CC..EExtended strand (participates in β ladder)trans-134.4146.917452.3164000109.7R148 L150 M157 L159 V165 I198 L209 A210R148-I201 HydrophobicContact CB-CD1 4.47Å; R148-I201 HydrophobicContact CB-CG1 4.45Å; L150-I201 HydrophobicContact CD1-CD1 4.18Å; L150-I201 HydrophobicContact CD1-CG1 3.94Å; L150-I201 WeakPolarHBondContact CD1-O 3.35Å; L150-I201 HydrophobicContact CG-CD1 4.44Å; M157-I201 HydrophobicContact CB-CD1 3.82Å; L159-I201 HydrophobicContact CB-CD1 3.95Å; L159-I201 HydrophobicContact CB-CG1 4.07Å; L159-I201 HydrophobicContact CD2-CG1 4.47Å; V165-I201 HydrophobicContact CG2-CG2 3.98Å; I198-I201 HydrophobicContact CG2-CG2 3.9Å; I201-L209 CarbonylContact C-O 3.55Å; I201-L209 WeakPolarHBondContact CA-O 3.49Å; I201-A210 HydrophobicContact CG2-CB 4.49Å
202A93.8Very high89.7Confident6 Ų630.3 Ų30.35%0.0515%0.146CC..EExtended strand (participates in β ladder)trans-134.5129171.100000109.8T208 L209 I237 C239A202-T208 CarbonylContact O-C 3.5Å; A202-T208 WeakPolarHBondContact O-CA 3.46Å; A202-T208 WeakPolarHBondContact O-CG2 3.48Å; A202-L209 HydrophobicContact CB-CB 4.35Å; A202-L209 PolarHBondContact N-O 2.85Å; A202-L209 PolarHBondContact O-N 3.29Å; A202-I237 HydrophobicContact CB-CB 4.11Å; A202-I237 HydrophobicContact CB-CD1 3.86Å; A202-I237 HydrophobicContact CB-CG1 3.83Å; A202-C239 HydrophobicContact CB-CB 4.4Å; A202-C239 PolarHBondContact O-SG 3.43Å; A202-C239 VanDerWaalsContact O-SG 3.37Å
203V92.7Very high89.8Confident20 Ų2026.9 Ų26.912%0.12113%0.134CC..EExtended strand (participates in β ladder)trans-113.5124.8-172.5-175.50000109.4L150 A151 G152 F155 M157 T208 C239L150-V203 HydrophobicContact CB-CB 4.02Å; L150-V203 HydrophobicContact CB-CG2 3.51Å; L150-V203 HydrophobicContact CD1-CG2 4.15Å; A151-V203 VanDerWaalsContact C-CG1 3.45Å; G152-V203 VanDerWaalsContact N-CG1 3.27Å; F155-V203 HydrophobicContact CE1-CG1 4.26Å; F155-V203 HydrophobicContact CE2-CG1 3.65Å; F155-V203 HydrophobicContact CZ-CG1 3.42Å; F155-V203 VanDerWaalsContact CZ-CG1 3.42Å; M157-V203 HydrophobicContact CB-CG2 3.74Å; M157-V203 HydrophobicContact CG-CG2 3.77Å; V203-T208 HydrophobicContact CG2-CG2 4Å; V203-C239 VanDerWaalsContact C-CB 3.45Å; V203-C239 WeakPolarHBondContact O-CB 3.49Å
204G90.7Very high89.1Confident5 Ų530.3 Ų30.35%0.05216%0.158CC..  trans-97.5-165.4170.200000111.4G152 W206 H207 C239 G240G152-G204 WeakPolarHBondContact CA-O 3.19Å; G204-W206 PolarHBondContact O-N 3.43Å; G204-H207 PolarHBondContact N-O 3.39Å; G204-C239 VanDerWaalsContact N-CB 3.34Å; G204-G240 WeakPolarHBondContact CA-O 3.47Å
205G88.4Confident88Confident2 Ų229.7 Ų29.72%0.02116%0.162CC..SBendtrans-64.7-39.4-17600000113.7N153 S241N153-G205 WeakPolarHBondContact CB-O 3.38Å; N153-G205 PolarHBondContact N-O 3.14Å; N153-G205 WeakPolarHBondContact OD1-CA 3.4Å; N153-G205 PolarHBondContact OD1-O 2.78Å; G205-S241 WeakPolarHBondContact CA-O 3.41Å; G205-S241 PolarHBondContact N-O 2.91Å
206W87.2Confident86.7Confident102 Ų10230.9 Ų30.939%0.38616%0.161SC..SBendtrans-140.619.4-178.8-50.5-67.4000113.5E175 G204 R242E175-W206 HydrophobicContact CG-CB 4.22Å; E175-W206 WeakPolarHBondContact CG-O 3.22Å; G204-W206 PolarHBondContact O-N 3.43Å; W206-R242 HydrophobicContact CE3-CG 4.28Å; W206-R242 HydrophobicContact CZ3-CG 3.64Å
207H88.4Confident85.1Confident26 Ų2634 Ų3412%0.1218%0.183CC..  trans-147.8160.4-177.869.5-75.2000110.7G204 S244 L283G204-H207 PolarHBondContact N-O 3.39Å; H207-S244 PolarHBondContact CD2-OG 2.7Å; H207-S244 PolarHBondContact NE2-OG 2.92Å; H207-L283 HydrophobicContact CB-CD1 4.21Å
208T91Very high83.5Confident0 Ų034.4 Ų34.40%019%0.188CC..EExtended strand (participates in β ladder)trans-136.8140177.6-57.10000110.5F155 M157 A202 V203 L283 M284F155-T208 WeakPolarHBondContact CE2-OG1 3.49Å; M157-T208 HydrophobicContact CE-CG2 4.49Å; M157-T208 HydrophobicContact CG-CG2 4.03Å; M157-T208 HydrophobicContact SD-CG2 4.48Å; A202-T208 CarbonylContact O-C 3.5Å; A202-T208 WeakPolarHBondContact O-CA 3.46Å; A202-T208 WeakPolarHBondContact O-CG2 3.48Å; V203-T208 HydrophobicContact CG2-CG2 4Å; T208-L283 WeakPolarHBondContact O-CA 3.42Å; T208-M284 HydrophobicContact CG2-CE 3.24Å; T208-M284 PolarHBondContact O-N 3.26Å
209L92.2Very high81.7Confident0 Ų037.6 Ų37.60%021%0.208CC..EExtended strand (participates in β ladder)trans-100.8141.9165.4-62.7178.9000109.7I201 A202 V226 I237 V246 F256 I281 R282 L283I201-L209 CarbonylContact C-O 3.55Å; I201-L209 WeakPolarHBondContact CA-O 3.49Å; A202-L209 HydrophobicContact CB-CB 4.35Å; A202-L209 PolarHBondContact N-O 2.85Å; A202-L209 PolarHBondContact O-N 3.29Å; L209-V226 HydrophobicContact CD2-CG2 4.01Å; L209-I237 HydrophobicContact CB-CB 4.38Å; L209-I237 HydrophobicContact CB-CD1 3.84Å; L209-I237 HydrophobicContact CD1-CB 4.17Å; L209-I237 HydrophobicContact CD1-CG2 4.34Å; L209-I237 WeakPolarHBondContact O-CD1 3.33Å; L209-V246 HydrophobicContact CD1-CG2 4.4Å; L209-F256 HydrophobicContact CD1-CZ 4.18Å; L209-F256 HydrophobicContact CD2-CE2 4.19Å; L209-F256 HydrophobicContact CD2-CZ 3.83Å; L209-I281 HydrophobicContact CB-CG2 4.22Å; L209-I281 HydrophobicContact CD2-CG2 3.88Å; L209-I281 HydrophobicContact CG-CG2 4.45Å; L209-R282 WeakPolarHBondContact CA-O 3.3Å; L209-L283 HydrophobicContact CD2-CB 4.07Å; L209-L283 HydrophobicContact CD2-CD1 3.47Å; L209-L283 VanDerWaalsContact CD2-CD1 3.47Å; L209-L283 HydrophobicContact CD2-CG 4.36Å; L209-L283 HydrophobicContact CG-CD1 4.37Å
210A92.6Very high80Confident0 Ų037 Ų370%021%0.207CC..EExtended strand (participates in β ladder)trans-121.1133.8168.800000109.5F193 I198 I201 I281 R282F193-A210 HydrophobicContact CE1-CB 4.49Å; F193-A210 HydrophobicContact CZ-CB 4Å; I198-A210 HydrophobicContact CD1-CB 4.02Å; I198-A210 HydrophobicContact CG1-CB 4.49Å; I198-A210 HydrophobicContact CG2-CB 4.26Å; I201-A210 HydrophobicContact CG2-CB 4.49Å; A210-I281 WeakPolarHBondContact O-CA 3.4Å; A210-R282 PolarHBondContact N-O 2.77Å; A210-R282 PolarHBondContact O-N 2.62Å
211L91.8Very high78.4Confident5 Ų542.7 Ų42.73%0.02624%0.237CC..EExtended strand (participates in β ladder)trans-102.9128.1176.4-177.162.9000109.5I198 I199 D200 A234 I237 I281I198-L211 WeakPolarHBondContact CA-O 3.33Å; I198-L211 WeakPolarHBondContact CG2-O 3.38Å; I199-L211 HydrophobicContact CD1-CD2 3.74Å; I199-L211 HydrophobicContact CD1-CG 3.8Å; I199-L211 HydrophobicContact CG1-CB 4.08Å; I199-L211 HydrophobicContact CG1-CD2 3.87Å; I199-L211 HydrophobicContact CG1-CG 3.68Å; I199-L211 WeakPolarHBondContact CG1-O 3.15Å; I199-L211 PolarHBondContact N-O 2.81Å; D200-L211 HydrophobicContact CB-CB 3.93Å; D200-L211 HydrophobicContact CB-CD2 4.12Å; D200-L211 PolarHBondContact N-O 2.82Å; D200-L211 PolarHBondContact O-N 2.58Å; L211-A234 HydrophobicContact CD1-CB 3.54Å; L211-I237 HydrophobicContact CB-CD1 3.84Å; L211-I237 HydrophobicContact CB-CG1 4.2Å; L211-I237 HydrophobicContact CB-CG2 4.37Å; L211-I281 HydrophobicContact CD1-CG1 3.82Å
212T89.7Confident77.1Confident3 Ų345.2 Ų45.22%0.01825%0.253CS..EExtended strand (participates in β ladder)trans-92.5156.2-17961.80000112T196 I198 I199 C280T196-T212 HydrophobicContact CG2-CG2 3.46Å; T196-T212 VanDerWaalsContact CG2-CG2 3.46Å; I198-T212 HydrophobicContact CD1-CG2 3.89Å; I199-T212 WeakPolarHBondContact CD1-O 3.39Å; T212-C280 WeakPolarHBondContact CG2-O 3.43Å; T212-C280 PolarHBondContact OG1-O 3.12Å
213G84Confident76.2Confident6 Ų645.3 Ų45.36%0.06225%0.252CS..PPolyproline II helixtrans-74.6167.7170.100000113.5R197 S215R197-G213 PolarHBondContact O-N 2.79Å; G213-S215 PolarHBondContact O-N 2.82Å
214P71.5Confident75.6Confident82 Ų8247.4 Ų47.453%0.53227%0.265SS..THydrogen-bonded Turntrans-60.8-10.2-171.4-3.2-0.1000117.8R233 D279P214-R233 VanDerWaalsContact CB-NH1 3.3Å; P214-D279 VanDerWaalsContact CA-OD2 3.32Å; P214-D279 WeakPolarHBondContact CA-OD2 3.11Å
215S62.1Low75.3Confident94 Ų9449.2 Ų49.266%0.65728%0.28SS*.THydrogen-bonded Turntrans-116.53.8-150.551.50000115.3G213G213-S215 PolarHBondContact O-N 2.82Å
216Q56.9Low75.1Confident80 Ų8049.8 Ų49.837%0.37428%0.283SS..  trans-141.9103.5-169.2-62.9-175.3-200112.9S195 K218S195-Q216 PolarHBondContact O-OE1 3.45Å; Q216-K218 PolarHBondContact O-N 3.49Å
217S52.8Low74.6Confident73 Ų7349.4 Ų49.451%0.5129%0.294SS..  trans-87.18.6-172.853.10000115.7V219 H278S217-V219 PolarHBondContact O-N 3.18Å; S217-H278 VanDerWaalsContact CB-ND1 3.28Å; S217-H278 WeakPolarHBondContact CB-ND1 3.44Å
218K57Low74.1Confident133 Ų13349.7 Ų49.758%0.57830%0.296SS*.  trans-70.4110-176.1-163.2175.6-179.2-176.80110.2Q216 R282Q216-K218 PolarHBondContact O-N 3.49Å; K218-R282 PolarHBondContact O-NH2 3.04Å
219V54.4Low73.5Confident68 Ų6851.3 Ų51.341%0.41231%0.306SS..  trans-69.6128.4170.1-176.10000108S217 E277S217-V219 PolarHBondContact O-N 3.18Å; V219-E277 HydrophobicContact CG2-CB 4.31Å; V219-E277 HydrophobicContact CG2-CG 3.94Å
220V56.9Low72.6Confident41 Ų4156.9 Ų56.925%0.24833%0.332CS..  trans-124.1133.6173.4-165.30000105.6T222V220-T222 WeakPolarHBondContact CG1-O 3.34Å; V220-T222 PolarHBondContact O-N 3.31Å
221D58.7Low71.9Confident147 Ų14761.7 Ų61.779%0.78636%0.355SS*.SBendtrans-66.7-20.9-178.1-64.2-34.4000112.8
222T66.3Low71.5Confident57 Ų5763.3 Ų63.335%0.3536%0.361SS..SBendtrans-140.6124.7177.4-56.50000107.6Y192 V220Y192-T222 WeakPolarHBondContact CD1-O 3.46Å; Y192-T222 HydrophobicContact CE1-CG2 4.05Å; V220-T222 WeakPolarHBondContact CG1-O 3.34Å; V220-T222 PolarHBondContact O-N 3.31Å
223P74.7Confident71.3Confident7 Ų767 Ų675%0.04538%0.375CS..SBendcis-72.5160.4-1.622.2-23.2000114.6F193 R282 L283 M284F193-P223 HydrophobicContact CE1-CG 3.69Å; F193-P223 HydrophobicContact CE2-CG 4.15Å; F193-P223 HydrophobicContact CZ-CG 3.31Å; P223-R282 HydrophobicContact CB-CB 3.92Å; P223-R282 HydrophobicContact CG-CB 3.71Å; P223-R282 HydrophobicContact CG-CG 4.41Å; P223-L283 WeakPolarHBondContact CB-O 3.24Å; P223-M284 HydrophobicContact CB-CB 4.44Å; P223-M284 HydrophobicContact CB-CG 3.78Å; P223-M284 HydrophobicContact CG-CG 4.02Å
224V81Confident71.5Confident64 Ų6467 Ų6739%0.38837%0.374SS..EExtended strand (participates in β ladder)trans-76.2128.9-170.8178.80000111.1R282 L283V224-R282 CarbonylContact O-C 3.48Å; V224-R282 VanDerWaalsContact O-CA 3.3Å; V224-R282 WeakPolarHBondContact O-CA 3.46Å; V224-L283 PolarHBondContact N-O 3.42Å; V224-L283 VanDerWaalsContact N-O 3.11Å; V224-L283 PolarHBondContact O-N 3.04Å
225A84Confident72.4Confident44 Ų4466.5 Ų66.536%0.36437%0.369SS..EExtended strand (participates in β ladder)trans-68.6131.2174.200000112C280 I281A225-C280 HydrophobicContact CB-CB 3.73Å; A225-I281 CarbonylContact C-O 3.48Å; A225-I281 VanDerWaalsContact CA-O 3.29Å; A225-I281 WeakPolarHBondContact CA-O 3.39Å
226V83.6Confident73.8Confident13 Ų1363.9 Ų63.98%0.07935%0.353CS..PPolyproline II helixtrans-75.1126169.7177.10000108.1L209 I228 F256 I281 L283 L302L209-V226 HydrophobicContact CD2-CG2 4.01Å; V226-I228 HydrophobicContact CG1-CD1 4.07Å; V226-I228 HydrophobicContact CG1-CG1 4.36Å; V226-I228 PolarHBondContact O-N 3.43Å; V226-F256 HydrophobicContact CB-CE1 4.5Å; V226-F256 HydrophobicContact CB-CZ 4.34Å; V226-F256 HydrophobicContact CG1-CD1 4.1Å; V226-F256 HydrophobicContact CG1-CE1 3.43Å; V226-F256 VanDerWaalsContact CG1-CE1 3.43Å; V226-F256 HydrophobicContact CG1-CZ 3.71Å; V226-F256 HydrophobicContact CG2-CE1 4.25Å; V226-F256 HydrophobicContact CG2-CE2 4.2Å; V226-F256 HydrophobicContact CG2-CZ 3.62Å; V226-I281 HydrophobicContact CB-CB 4.07Å; V226-I281 HydrophobicContact CB-CG2 4.12Å; V226-I281 HydrophobicContact CG2-CB 4.21Å; V226-I281 HydrophobicContact CG2-CG2 3.71Å; V226-I281 PolarHBondContact N-O 2.91Å; V226-L283 HydrophobicContact CG2-CB 4.19Å; V226-L302 HydrophobicContact CG1-CD1 4.08Å
227P77.3Confident75.5Confident95 Ų9560.8 Ų60.862%0.61734%0.339SS*.  trans-77.489.5-174.930.9-34.2000110.9L302P227-L302 HydrophobicContact CG-CD1 4.37Å; P227-L302 WeakPolarHBondContact O-CD2 3.32Å
228I78.4Confident77.4Confident31 Ų3159.5 Ų59.516%0.15933%0.332CS..  trans-92.6140.3167.2-55.7-58.7000108.2V226 E230 V246 A248 Y254 I281 L302V226-I228 HydrophobicContact CG1-CD1 4.07Å; V226-I228 HydrophobicContact CG1-CG1 4.36Å; V226-I228 PolarHBondContact O-N 3.43Å; I228-E230 PolarHBondContact O-N 3.09Å; I228-V246 HydrophobicContact CD1-CB 4.2Å; I228-V246 HydrophobicContact CD1-CG1 3.72Å; I228-V246 HydrophobicContact CG1-CG1 4.12Å; I228-A248 HydrophobicContact CG2-CB 4.21Å; I228-Y254 HydrophobicContact CD1-CD1 4.4Å; I228-Y254 HydrophobicContact CD1-CD2 3.66Å; I228-Y254 HydrophobicContact CD1-CE2 4.3Å; I228-Y254 HydrophobicContact CD1-CG 3.7Å; I228-Y254 HydrophobicContact CG2-CD2 4.22Å; I228-Y254 HydrophobicContact CG2-CE2 3.82Å; I228-I281 HydrophobicContact CG1-CD1 4.18Å; I228-L302 HydrophobicContact CD1-CD1 4.41Å; I228-L302 HydrophobicContact CD1-CD2 4.39Å
229P77.6Confident79Confident35 Ų3554.3 Ų54.323%0.22731%0.313CS..  trans-57.8135.8177.8-22.332.9000111.8E231 Y232 Y254P229-E231 WeakPolarHBondContact CB-OE2 3.27Å; P229-E231 PolarHBondContact O-N 3.22Å; P229-Y232 HydrophobicContact CB-CD2 4Å; P229-Y232 HydrophobicContact CB-CE2 4.35Å; P229-Y232 HydrophobicContact CG-CD2 4.29Å; P229-Y232 PolarHBondContact O-N 3.02Å; P229-Y254 VanDerWaalsContact CD-CZ 3.47Å; P229-Y254 VanDerWaalsContact CD-OH 3.3Å; P229-Y254 WeakPolarHBondContact CD-OH 3.18Å; P229-Y254 HydrophobicContact CG-CE1 4.13Å; P229-Y254 WeakPolarHBondContact CG-OH 3.21Å
230E72.7Confident80.7Confident117 Ų11751.8 Ų51.855%0.54730%0.3SS..THydrogen-bonded Turntrans-54-27.9-171.6-66.8178.1-169.300114.2I228 Y232 N276I228-E230 PolarHBondContact O-N 3.09Å; E230-Y232 PolarHBondContact O-N 3.46Å; E230-N276 WeakPolarHBondContact CG-O 3.38Å; E230-N276 WeakPolarHBondContact OE1-CA 3.41Å; E230-N276 VanDerWaalsContact OE1-CB 3.32Å; E230-N276 WeakPolarHBondContact OE1-CB 3.18Å; E230-N276 PolarHBondContact OE1-N 3.29Å
231E78.6Confident82.1Confident101 Ų10152.6 Ų52.647%0.47231%0.308SS..THydrogen-bonded Turntrans-76.1-6.6-179.673.5-87.3-158.900114.2P229P229-E231 WeakPolarHBondContact CB-OE2 3.27Å; P229-E231 PolarHBondContact O-N 3.22Å
232Y83.3Confident83.4Confident39 Ų3950.6 Ų50.615%0.15329%0.289CS..  trans-121.9129.5177.9-53.9-67.6000111.1P229 E230 E249 R250 N252 Y254 K304P229-Y232 HydrophobicContact CB-CD2 4Å; P229-Y232 HydrophobicContact CB-CE2 4.35Å; P229-Y232 HydrophobicContact CG-CD2 4.29Å; P229-Y232 PolarHBondContact O-N 3.02Å; E230-Y232 PolarHBondContact O-N 3.46Å; Y232-E249 VanDerWaalsContact CD1-O 3.29Å; Y232-E249 WeakPolarHBondContact CD1-O 3.27Å; Y232-R250 HydrophobicContact CD1-CB 4.44Å; Y232-R250 HydrophobicContact CD1-CG 4.16Å; Y232-R250 HydrophobicContact CE1-CB 4.11Å; Y232-R250 HydrophobicContact CE1-CG 3.94Å; Y232-N252 VanDerWaalsContact CD1-ND2 3.28Å; Y232-N252 WeakPolarHBondContact CD1-ND2 3.33Å; Y232-N252 WeakPolarHBondContact CE1-ND2 3.22Å; Y232-Y254 WeakPolarHBondContact CD2-OH 3.18Å; Y232-K304 VanDerWaalsContact CE2-NZ 3.29Å
233R84.7Confident84.2Confident81 Ų8149.9 Ų49.931%0.30628%0.282SS..  trans-86.7138.8167.3178176157.3-177.4-5.1111.1P214 A248 E249P214-R233 VanDerWaalsContact CB-NH1 3.3Å; R233-A248 CarbonylContact O-C 3.49Å; R233-A248 WeakPolarHBondContact O-CA 3.38Å; R233-A248 WeakPolarHBondContact O-CB 3.31Å; R233-E249 HydrophobicContact CB-CG 4.06Å; R233-E249 PolarHBondContact O-N 3.02Å
234A89.2Confident84.9Confident5 Ų549.6 Ų49.64%0.04128%0.28CS..EExtended strand (participates in β ladder)trans-67.2133167.900000111.5L211 V246 I281L211-A234 HydrophobicContact CD1-CB 3.54Å; A234-V246 HydrophobicContact CB-CG1 4.12Å; A234-I281 HydrophobicContact CB-CD1 3.24Å; A234-I281 HydrophobicContact CB-CG1 3.55Å
235V89.9Confident85.3Confident72 Ų7248.9 Ų48.944%0.43627%0.274SS..EExtended strand (participates in β ladder)trans-116.5-26.8-177.6-61.40000112.8L247 E249V235-L247 HydrophobicContact CG2-CB 4.07Å; V235-L247 HydrophobicContact CG2-CD2 3.86Å; V235-L247 HydrophobicContact CG2-CG 3.64Å; V235-L247 VanDerWaalsContact CG2-O 3.27Å; V235-L247 WeakPolarHBondContact CG2-O 3.29Å; V235-L247 PolarHBondContact N-O 3.3Å; V235-E249 HydrophobicContact CG1-CG 3.85Å
236A91.3Very high85.7Confident38 Ų3846.8 Ų46.831%0.31426%0.256SS..EExtended strand (participates in β ladder)trans-151.6155.6174.300000111.1L247A236-L247 HydrophobicContact CB-CB 4.11Å; A236-L247 HydrophobicContact CB-CD2 4.5Å; A236-L247 PolarHBondContact N-O 2.88Å; A236-L247 VanDerWaalsContact N-O 3.14Å; A236-L247 PolarHBondContact O-N 2.91Å
237I93.2Very high86Confident16 Ų1648.8 Ų48.88%0.08227%0.267CS..EExtended strand (participates in β ladder)trans-132.4144.8-179.351.9169.1000109.8D200 A202 L209 L211 V246 I281D200-I237 HydrophobicContact CB-CD1 4.42Å; D200-I237 HydrophobicContact CB-CG1 4.41Å; A202-I237 HydrophobicContact CB-CB 4.11Å; A202-I237 HydrophobicContact CB-CD1 3.86Å; A202-I237 HydrophobicContact CB-CG1 3.83Å; L209-I237 HydrophobicContact CB-CB 4.38Å; L209-I237 HydrophobicContact CB-CD1 3.84Å; L209-I237 HydrophobicContact CD1-CB 4.17Å; L209-I237 HydrophobicContact CD1-CG2 4.34Å; L209-I237 WeakPolarHBondContact O-CD1 3.33Å; L211-I237 HydrophobicContact CB-CD1 3.84Å; L211-I237 HydrophobicContact CB-CG1 4.2Å; L211-I237 HydrophobicContact CB-CG2 4.37Å; I237-V246 HydrophobicContact CG2-CG2 4.35Å; I237-I281 HydrophobicContact CG2-CD1 3.88Å; I237-I281 HydrophobicContact CG2-CG1 3.98Å; I237-I281 HydrophobicContact CG2-CG2 4.28Å
238A92.8Very high86.6Confident45 Ų4544.3 Ų44.337%0.37224%0.238SC..EExtended strand (participates in β ladder)trans-145.3155172.500000110.3L245A238-L245 HydrophobicContact CB-CB 4.26Å; A238-L245 PolarHBondContact N-O 3.21Å; A238-L245 PolarHBondContact O-N 2.83Å
239C90.6Very high87Confident25 Ų2546.9 Ų46.917%0.16925%0.249CC..EExtended strand (participates in β ladder)trans-131.8135.3177.7-70.30000109.4A202 V203 G204 H243 S244A202-C239 HydrophobicContact CB-CB 4.4Å; A202-C239 PolarHBondContact O-SG 3.43Å; A202-C239 VanDerWaalsContact O-SG 3.37Å; V203-C239 VanDerWaalsContact C-CB 3.45Å; V203-C239 WeakPolarHBondContact O-CB 3.49Å; G204-C239 VanDerWaalsContact N-CB 3.34Å; C239-H243 WeakPolarHBondContact CA-O 3.28Å; C239-S244 PolarHBondContact SG-OG 3.27Å; C239-S244 VanDerWaalsContact SG-OG 3.4Å
240G89.1Confident87.5Confident15 Ų1552.8 Ų52.816%0.15527%0.267CS..  trans-90.3-170.2157.300000110.7G204 R242 H243G204-G240 WeakPolarHBondContact CA-O 3.47Å; G240-R242 VanDerWaalsContact C-N 3.31Å; G240-R242 PolarHBondContact O-N 3.32Å; G240-H243 PolarHBondContact N-O 3.11Å
241S86.9Confident88.1Confident58 Ų5851.3 Ų51.341%0.40626%0.263SS..SBendtrans-57.8-40.8179.7175.30000113.2G205G205-S241 WeakPolarHBondContact CA-O 3.41Å; G205-S241 PolarHBondContact N-O 2.91Å
242R85Confident88.4Confident105 Ų10546.9 Ų46.940%0.39624%0.242SC..SBendtrans-136.614.5-176.3-58.7-165.2-59.6-916.2114.5W206 G240 C258 D260W206-R242 HydrophobicContact CE3-CG 4.28Å; W206-R242 HydrophobicContact CZ3-CG 3.64Å; G240-R242 VanDerWaalsContact C-N 3.31Å; G240-R242 PolarHBondContact O-N 3.32Å; R242-C258 HydrophobicContact CB-CB 3.59Å; R242-C258 VanDerWaalsContact O-CB 3.31Å; R242-C258 WeakPolarHBondContact O-CB 3.3Å; R242-C258 PolarHBondContact O-N 2.93Å; R242-D260 IonicContact NH2-OD2 2.85Å
243H84.4Confident88.7Confident41 Ų4146.8 Ų46.819%0.1924%0.244CC..EExtended strand (participates in β ladder)trans-140.1163.4179.369.4-87.9000110.1C239 G240 F256 Q263 L264C239-H243 WeakPolarHBondContact CA-O 3.28Å; G240-H243 PolarHBondContact N-O 3.11Å; H243-F256 WeakPolarHBondContact CA-O 2.99Å; H243-Q263 HydrophobicContact CB-CG 4.5Å; H243-L264 HydrophobicContact CB-CD2 3.63Å
244S88.3Confident88.8Confident2 Ų243.1 Ų43.11%0.01423%0.23CC..EExtended strand (participates in β ladder)trans-135.3143.7-175.6-85.70000109.9H207 C239 A255 F256H207-S244 PolarHBondContact CD2-OG 2.7Å; H207-S244 PolarHBondContact NE2-OG 2.92Å; C239-S244 PolarHBondContact SG-OG 3.27Å; C239-S244 VanDerWaalsContact SG-OG 3.4Å; S244-A255 VanDerWaalsContact O-CA 3.22Å; S244-A255 WeakPolarHBondContact O-CA 3.42Å; S244-F256 PolarHBondContact N-O 3.36Å; S244-F256 PolarHBondContact O-N 2.96Å
245L91.1Very high88.7Confident48 Ų4842.9 Ų42.925%0.25123%0.228SC..EExtended strand (participates in β ladder)trans-124.1141.8178.9-56.1177.9000108.7A238 L253 Y254 A255A238-L245 HydrophobicContact CB-CB 4.26Å; A238-L245 PolarHBondContact N-O 3.21Å; A238-L245 PolarHBondContact O-N 2.83Å; L245-L253 HydrophobicContact CB-CD1 4.28Å; L245-Y254 CarbonylContact C-O 3.57Å; L245-Y254 WeakPolarHBondContact CA-O 3.35Å; L245-A255 HydrophobicContact CD2-CB 3.45Å; L245-A255 VanDerWaalsContact CD2-CB 3.45Å
246V90.9Very high88.6Confident0 Ų040.4 Ų40.40%021%0.212CC..EExtended strand (participates in β ladder)trans-135.2114.3179.2168.20000107.7L209 I228 A234 I237 L253 Y254 F256 I281L209-V246 HydrophobicContact CD1-CG2 4.4Å; I228-V246 HydrophobicContact CD1-CB 4.2Å; I228-V246 HydrophobicContact CD1-CG1 3.72Å; I228-V246 HydrophobicContact CG1-CG1 4.12Å; A234-V246 HydrophobicContact CB-CG1 4.12Å; I237-V246 HydrophobicContact CG2-CG2 4.35Å; V246-L253 CarbonylContact O-C 3.6Å; V246-L253 WeakPolarHBondContact O-CA 3.05Å; V246-Y254 PolarHBondContact N-O 3.44Å; V246-Y254 PolarHBondContact O-N 2.86Å; V246-F256 HydrophobicContact CG2-CE1 3.76Å; V246-F256 HydrophobicContact CG2-CZ 4.29Å; V246-I281 HydrophobicContact CB-CD1 3.89Å; V246-I281 HydrophobicContact CG1-CD1 3.15Å; V246-I281 HydrophobicContact CG2-CD1 3.43Å; V246-I281 VanDerWaalsContact CG2-CD1 3.43Å
247L90.4Very high88.4Confident56 Ų5641 Ų4129%0.29322%0.221SC..EExtended strand (participates in β ladder)trans-85.8124.1166.4-175.664.8000108V235 A236V235-L247 HydrophobicContact CG2-CB 4.07Å; V235-L247 HydrophobicContact CG2-CD2 3.86Å; V235-L247 HydrophobicContact CG2-CG 3.64Å; V235-L247 VanDerWaalsContact CG2-O 3.27Å; V235-L247 WeakPolarHBondContact CG2-O 3.29Å; V235-L247 PolarHBondContact N-O 3.3Å; A236-L247 HydrophobicContact CB-CB 4.11Å; A236-L247 HydrophobicContact CB-CD2 4.5Å; A236-L247 PolarHBondContact N-O 2.88Å; A236-L247 VanDerWaalsContact N-O 3.14Å; A236-L247 PolarHBondContact O-N 2.91Å
248A89Confident88Confident1 Ų141.2 Ų41.21%0.00822%0.224CC..EExtended strand (participates in β ladder)trans-112.7167.3172.100000110.8I228 R233 N251 N252 Y254I228-A248 HydrophobicContact CG2-CB 4.21Å; R233-A248 CarbonylContact O-C 3.49Å; R233-A248 WeakPolarHBondContact O-CA 3.38Å; R233-A248 WeakPolarHBondContact O-CB 3.31Å; A248-N251 PolarHBondContact O-N 3.48Å; A248-N252 HydrophobicContact CB-CB 4.44Å; A248-N252 PolarHBondContact N-O 3.5Å; A248-N252 PolarHBondContact O-N 2.76Å; A248-Y254 HydrophobicContact CB-CD2 4.08Å; A248-Y254 HydrophobicContact CB-CE2 3.73Å
249E88.2Confident87.6Confident84 Ų8442.5 Ų42.539%0.39322%0.224SC..THydrogen-bonded Turntrans-49.4155.3176.7-74.7179.7164.500112.9Y232 R233 V235 N251 N252Y232-E249 VanDerWaalsContact CD1-O 3.29Å; Y232-E249 WeakPolarHBondContact CD1-O 3.27Å; R233-E249 HydrophobicContact CB-CG 4.06Å; R233-E249 PolarHBondContact O-N 3.02Å; V235-E249 HydrophobicContact CG1-CG 3.85Å; E249-N251 PolarHBondContact O-N 3.35Å; E249-N252 PolarHBondContact O-ND2 2.96Å
250R87.6Confident87.2Confident160 Ų16047 Ų4760%0.60425%0.247SC*.THydrogen-bonded Turntrans58.931.3-174.1-39-166-168.5150.5-7113.4Y232 N252Y232-R250 HydrophobicContact CD1-CB 4.44Å; Y232-R250 HydrophobicContact CD1-CG 4.16Å; Y232-R250 HydrophobicContact CE1-CB 4.11Å; Y232-R250 HydrophobicContact CE1-CG 3.94Å; R250-N252 VanDerWaalsContact C-N 3.25Å; R250-N252 PolarHBondContact O-N 2.74Å; R250-N252 PolarHBondContact O-ND2 3.34Å
251N84.6Confident86.9Confident86 Ų8655.6 Ų55.646%0.4628%0.276SS..THydrogen-bonded Turntrans57.734.9177.1-63-8.2000113.3A248 E249 R306 C307A248-N251 PolarHBondContact O-N 3.48Å; E249-N251 PolarHBondContact O-N 3.35Å; N251-R306 WeakPolarHBondContact O-CA 3.28Å; N251-C307 HydrophobicContact CB-CB 4.22Å; N251-C307 PolarHBondContact O-N 2.72Å
252N85.7Confident86.7Confident7 Ų754.4 Ų54.44%0.03727%0.273CS..EExtended strand (participates in β ladder)trans-87.7114.4176.3-65.4-73.4000109.1Y232 A248 E249 R250 Y254 K304 A305Y232-N252 VanDerWaalsContact CD1-ND2 3.28Å; Y232-N252 WeakPolarHBondContact CD1-ND2 3.33Å; Y232-N252 WeakPolarHBondContact CE1-ND2 3.22Å; A248-N252 HydrophobicContact CB-CB 4.44Å; A248-N252 PolarHBondContact N-O 3.5Å; A248-N252 PolarHBondContact O-N 2.76Å; E249-N252 PolarHBondContact O-ND2 2.96Å; R250-N252 VanDerWaalsContact C-N 3.25Å; R250-N252 PolarHBondContact O-N 2.74Å; R250-N252 PolarHBondContact O-ND2 3.34Å; N252-Y254 HydrophobicContact CB-CE2 3.73Å; N252-K304 VanDerWaalsContact CG-CE 3.46Å; N252-K304 WeakPolarHBondContact OD1-CE 3.47Å; N252-K304 PolarHBondContact OD1-NZ 2.82Å; N252-K304 VanDerWaalsContact OD1-NZ 3.16Å; N252-A305 CarbonylContact C-O 3.53Å; N252-A305 WeakPolarHBondContact CA-O 3.32Å
253L88.8Confident86.7Confident38 Ų3852.3 Ų52.320%0.19927%0.268CS..EExtended strand (participates in β ladder)trans-94.3126.2174.6-17863.2000109L245 V246 F266 K304 A305L245-L253 HydrophobicContact CB-CD1 4.28Å; V246-L253 CarbonylContact O-C 3.6Å; V246-L253 WeakPolarHBondContact O-CA 3.05Å; L253-F266 HydrophobicContact CD2-CE1 4.11Å; L253-F266 HydrophobicContact CD2-CZ 4.5Å; L253-F266 HydrophobicContact CG-CE1 4.44Å; L253-F266 HydrophobicContact CG-CZ 4.48Å; L253-K304 CarbonylContact O-C 3.42Å; L253-K304 VanDerWaalsContact O-CA 3.25Å; L253-K304 WeakPolarHBondContact O-CA 3.17Å; L253-A305 PolarHBondContact N-O 3.49Å; L253-A305 PolarHBondContact O-N 3.02Å
254Y87.8Confident86.5Confident3 Ų350.8 Ų50.81%0.01226%0.261CS..EExtended strand (participates in β ladder)trans-111.7137.4173.1-60.8-86.8000109.4I228 P229 Y232 L245 V246 A248 N252 L302 A303 K304I228-Y254 HydrophobicContact CD1-CD1 4.4Å; I228-Y254 HydrophobicContact CD1-CD2 3.66Å; I228-Y254 HydrophobicContact CD1-CE2 4.3Å; I228-Y254 HydrophobicContact CD1-CG 3.7Å; I228-Y254 HydrophobicContact CG2-CD2 4.22Å; I228-Y254 HydrophobicContact CG2-CE2 3.82Å; P229-Y254 VanDerWaalsContact CD-CZ 3.47Å; P229-Y254 VanDerWaalsContact CD-OH 3.3Å; P229-Y254 WeakPolarHBondContact CD-OH 3.18Å; P229-Y254 HydrophobicContact CG-CE1 4.13Å; P229-Y254 WeakPolarHBondContact CG-OH 3.21Å; Y232-Y254 WeakPolarHBondContact CD2-OH 3.18Å; L245-Y254 CarbonylContact C-O 3.57Å; L245-Y254 WeakPolarHBondContact CA-O 3.35Å; V246-Y254 PolarHBondContact N-O 3.44Å; V246-Y254 PolarHBondContact O-N 2.86Å; A248-Y254 HydrophobicContact CB-CD2 4.08Å; A248-Y254 HydrophobicContact CB-CE2 3.73Å; N252-Y254 HydrophobicContact CB-CE2 3.73Å; Y254-L302 HydrophobicContact CD1-CD2 3.17Å; Y254-L302 HydrophobicContact CD1-CG 3.92Å; Y254-L302 HydrophobicContact CE1-CD2 3.7Å; Y254-L302 HydrophobicContact CG-CD2 3.92Å; Y254-L302 HydrophobicContact CG-CG 4.44Å; Y254-A303 CarbonylContact C-O 3.58Å; Y254-A303 VanDerWaalsContact CA-O 3.29Å; Y254-A303 WeakPolarHBondContact CA-O 3Å; Y254-K304 HydrophobicContact CD1-CB 3.91Å; Y254-K304 HydrophobicContact CD1-CG 4.15Å; Y254-K304 HydrophobicContact CE1-CB 3.79Å; Y254-K304 HydrophobicContact CE1-CD 3.72Å; Y254-K304 HydrophobicContact CE1-CG 3.7Å; Y254-K304 PolarHBondContact OH-NZ 3.48Å
255A87.4Confident85.5Confident0 Ų056 Ų560%029%0.289CS..EExtended strand (participates in β ladder)trans-130.5150.1171.800000112.4S244 L245 L264 F266 A303S244-A255 VanDerWaalsContact O-CA 3.22Å; S244-A255 WeakPolarHBondContact O-CA 3.42Å; L245-A255 HydrophobicContact CD2-CB 3.45Å; L245-A255 VanDerWaalsContact CD2-CB 3.45Å; A255-L264 HydrophobicContact CB-CB 4.28Å; A255-L264 HydrophobicContact CB-CD2 3.59Å; A255-L264 HydrophobicContact CB-CG 4.33Å; A255-F266 HydrophobicContact CB-CE2 3.61Å; A255-F266 HydrophobicContact CB-CZ 3.6Å; A255-A303 PolarHBondContact N-O 3.16Å; A255-A303 PolarHBondContact O-N 2.97Å; A255-A303 VanDerWaalsContact O-N 3.09Å
256F88.1Confident84.1Confident21 Ų2155.8 Ų55.89%0.09229%0.286CS..EExtended strand (participates in β ladder)trans-152.5160177.651.1-85.8000110.5L209 V226 H243 S244 V246 L302L209-F256 HydrophobicContact CD1-CZ 4.18Å; L209-F256 HydrophobicContact CD2-CE2 4.19Å; L209-F256 HydrophobicContact CD2-CZ 3.83Å; V226-F256 HydrophobicContact CB-CE1 4.5Å; V226-F256 HydrophobicContact CB-CZ 4.34Å; V226-F256 HydrophobicContact CG1-CD1 4.1Å; V226-F256 HydrophobicContact CG1-CE1 3.43Å; V226-F256 VanDerWaalsContact CG1-CE1 3.43Å; V226-F256 HydrophobicContact CG1-CZ 3.71Å; V226-F256 HydrophobicContact CG2-CE1 4.25Å; V226-F256 HydrophobicContact CG2-CE2 4.2Å; V226-F256 HydrophobicContact CG2-CZ 3.62Å; H243-F256 WeakPolarHBondContact CA-O 2.99Å; S244-F256 PolarHBondContact N-O 3.36Å; S244-F256 PolarHBondContact O-N 2.96Å; V246-F256 HydrophobicContact CG2-CE1 3.76Å; V246-F256 HydrophobicContact CG2-CZ 4.29Å; F256-L302 HydrophobicContact CD1-CD1 3.96Å
257G86.9Confident82.4Confident49 Ų4961.1 Ų61.151%0.50532%0.323SS..EExtended strand (participates in β ladder)trans109.9-155.3-177.700000112.9N259 L264G257-N259 PolarHBondContact O-N 2.91Å; G257-L264 WeakPolarHBondContact O-CD1 3.29Å
258C83.5Confident80.2Confident21 Ų2163.4 Ų63.414%0.14234%0.344CS..  trans-60.4132.5-178.1176.10000110.6R242 D260 Q263R242-C258 HydrophobicContact CB-CB 3.59Å; R242-C258 VanDerWaalsContact O-CB 3.31Å; R242-C258 WeakPolarHBondContact O-CB 3.3Å; R242-C258 PolarHBondContact O-N 2.93Å; C258-D260 PolarHBondContact SG-OD2 3.13Å; C258-Q263 VanDerWaalsContact O-CG 3.23Å; C258-Q263 WeakPolarHBondContact O-CG 3.38Å; C258-Q263 PolarHBondContact O-NE2 2.96Å; C258-Q263 PolarHBondContact SG-NE2 2.98Å
259N85.5Confident77.9Confident72 Ų7265.9 Ų65.939%0.38536%0.361SS..  trans-124.419.9174.2-163.228.4000113.4G257 Y261 G262 Q263 L264G257-N259 PolarHBondContact O-N 2.91Å; N259-Y261 PolarHBondContact O-N 2.95Å; N259-G262 PolarHBondContact O-N 3.02Å; N259-G262 VanDerWaalsContact O-N 3.08Å; N259-G262 VanDerWaalsContact OD1-C 3.28Å; N259-G262 VanDerWaalsContact OD1-CA 3.27Å; N259-G262 WeakPolarHBondContact OD1-CA 3.21Å; N259-Q263 VanDerWaalsContact CA-NE2 3.29Å; N259-Q263 PolarHBondContact OD1-N 2.72Å; N259-L264 HydrophobicContact CB-CB 4.18Å; N259-L264 HydrophobicContact CB-CD1 4.03Å; N259-L264 HydrophobicContact CB-CG 4.01Å; N259-L264 WeakPolarHBondContact OD1-CA 3.48Å; N259-L264 WeakPolarHBondContact OD1-CB 3.39Å; N259-L264 PolarHBondContact OD1-N 2.73Å
260D81.3Confident75.6Confident120 Ų12067.7 Ų67.764%0.64238%0.378SS*.THydrogen-bonded Turntrans-59-21.7-171.2-55.6-20.1000114.5R242 C258 Q263R242-D260 IonicContact NH2-OD2 2.85Å; C258-D260 PolarHBondContact SG-OD2 3.13Å; D260-Q263 VanDerWaalsContact N-NE2 3.2Å
261Y84.2Confident73.3Confident195 Ų19563.8 Ų63.877%0.76537%0.371SS*.THydrogen-bonded Turntrans-120.617.3179.5-52.2-88.3000113.1N259 Q263N259-Y261 PolarHBondContact O-N 2.95Å; Y261-Q263 VanDerWaalsContact C-N 3.31Å; Y261-Q263 VanDerWaalsContact CA-OE1 3.3Å; Y261-Q263 PolarHBondContact O-N 3.32Å
262G82.8Confident71.1Confident34 Ų3469.1 Ų69.135%0.35139%0.39SS..SBendtrans75.515.5-179.500000114.7N259 L264 D265N259-G262 PolarHBondContact O-N 3.02Å; N259-G262 VanDerWaalsContact O-N 3.08Å; N259-G262 VanDerWaalsContact OD1-C 3.28Å; N259-G262 VanDerWaalsContact OD1-CA 3.27Å; N259-G262 WeakPolarHBondContact OD1-CA 3.21Å; G262-L264 PolarHBondContact O-N 2.83Å; G262-L264 VanDerWaalsContact O-N 3.12Å; G262-D265 VanDerWaalsContact O-CB 3.22Å; G262-D265 WeakPolarHBondContact O-CB 3.46Å; G262-D265 PolarHBondContact O-N 2.87Å
263Q83.5Confident68.7Low60 Ų6075.4 Ų75.428%0.2842%0.417SS..THydrogen-bonded Turntrans-60.1-19175.454.2-90.610.400114.5H243 C258 N259 D260 Y261H243-Q263 HydrophobicContact CB-CG 4.5Å; C258-Q263 VanDerWaalsContact O-CG 3.23Å; C258-Q263 WeakPolarHBondContact O-CG 3.38Å; C258-Q263 PolarHBondContact O-NE2 2.96Å; C258-Q263 PolarHBondContact SG-NE2 2.98Å; N259-Q263 VanDerWaalsContact CA-NE2 3.29Å; N259-Q263 PolarHBondContact OD1-N 2.72Å; D260-Q263 VanDerWaalsContact N-NE2 3.2Å; Y261-Q263 VanDerWaalsContact C-N 3.31Å; Y261-Q263 VanDerWaalsContact CA-OE1 3.3Å; Y261-Q263 PolarHBondContact O-N 3.32Å
264L79.9Confident66.4Low10 Ų1083 Ų835%0.05245%0.452CS..THydrogen-bonded Turntrans-109.29.8172.7-42.7-175.8000111.9H243 A255 G257 N259 G262 F266H243-L264 HydrophobicContact CB-CD2 3.63Å; A255-L264 HydrophobicContact CB-CB 4.28Å; A255-L264 HydrophobicContact CB-CD2 3.59Å; A255-L264 HydrophobicContact CB-CG 4.33Å; G257-L264 WeakPolarHBondContact O-CD1 3.29Å; N259-L264 HydrophobicContact CB-CB 4.18Å; N259-L264 HydrophobicContact CB-CD1 4.03Å; N259-L264 HydrophobicContact CB-CG 4.01Å; N259-L264 WeakPolarHBondContact OD1-CA 3.48Å; N259-L264 WeakPolarHBondContact OD1-CB 3.39Å; N259-L264 PolarHBondContact OD1-N 2.73Å; G262-L264 PolarHBondContact O-N 2.83Å; G262-L264 VanDerWaalsContact O-N 3.12Å; L264-F266 WeakPolarHBondContact O-CD2 3.5Å; L264-F266 WeakPolarHBondContact O-CE2 3.37Å; L264-F266 PolarHBondContact O-N 3.14Å
265D68.1Low63.8Low110 Ų11091.4 Ų91.459%0.58849%0.488SS*.  trans-68.3102.1-172.4-167.411.4000110.8G262G262-D265 VanDerWaalsContact O-CB 3.22Å; G262-D265 WeakPolarHBondContact O-CB 3.46Å; G262-D265 PolarHBondContact O-N 2.87Å
266F62.6Low61.4Low44 Ų4497.5 Ų97.519%0.19352%0.521CS..  trans-101.181.7168.9-54.4-74000107.5L253 A255 L264 S268 C269 A303 A305L253-F266 HydrophobicContact CD2-CE1 4.11Å; L253-F266 HydrophobicContact CD2-CZ 4.5Å; L253-F266 HydrophobicContact CG-CE1 4.44Å; L253-F266 HydrophobicContact CG-CZ 4.48Å; A255-F266 HydrophobicContact CB-CE2 3.61Å; A255-F266 HydrophobicContact CB-CZ 3.6Å; L264-F266 WeakPolarHBondContact O-CD2 3.5Å; L264-F266 WeakPolarHBondContact O-CE2 3.37Å; L264-F266 PolarHBondContact O-N 3.14Å; F266-S268 PolarHBondContact O-N 3.43Å; F266-C269 HydrophobicContact CB-CB 4.25Å; F266-C269 PolarHBondContact O-N 3.09Å; F266-A303 HydrophobicContact CD2-CB 3.3Å; F266-A303 HydrophobicContact CE2-CB 3.53Å; F266-A303 WeakPolarHBondContact CE2-O 3.15Å; F266-A303 HydrophobicContact CG-CB 4.47Å; F266-A305 HydrophobicContact CB-CB 4.46Å; F266-A305 HydrophobicContact CD1-CB 3.18Å; F266-A305 HydrophobicContact CE1-CB 3.46Å; F266-A305 VanDerWaalsContact CE1-CB 3.46Å; F266-A305 HydrophobicContact CG-CB 4Å; F266-A305 HydrophobicContact CZ-CB 4.46Å
267S53.5Low58.9Low113 Ų113102 Ų10279%0.7954%0.542SS*.THydrogen-bonded Turntrans-64.420.4-177.362.60000115.1
268S44.2Very low56.5Low104 Ų104105.5 Ų105.573%0.72755%0.545SS*.THydrogen-bonded Turntrans-145.34.7-17964.70000117.1F266F266-S268 PolarHBondContact O-N 3.43Å
269C42.7Very low54.5Low53 Ų53106.6 Ų106.636%0.35855%0.55SS..  trans-125.2131.4-161.6-67.30000118F266 K304F266-C269 HydrophobicContact CB-CB 4.25Å; F266-C269 PolarHBondContact O-N 3.09Å; C269-K304 WeakPolarHBondContact CB-O 3.43Å; C269-K304 PolarHBondContact SG-O 3.1Å
270T37.9Very low52.5Low122 Ų122104.6 Ų104.675%0.74854%0.541SS*.  trans-77.7131.6177.542.60000113.4
271V39.8Very low51.2Low77 Ų7799 Ų9947%0.46751%0.511SS..  trans-87.1129.5172.3-177.60000110.3
272K38.7Very low50Low199 Ų19990.1 Ų90.187%0.86548%0.476SS*.  trans-118.4137.6163.3-71.7-172.5176.6-174.80108.8
273K34.8Very low49Very low139 Ų13989 Ų8960%0.60446%0.462SS*.  trans-113.7114.3177.6-74.7-177.2-179.3-179.90109.8S299K273-S299 WeakPolarHBondContact CE-O 3.46Å; K273-S299 VanDerWaalsContact NZ-CB 3.33Å; K273-S299 PolarHBondContact NZ-O 2.95Å; K273-S299 PolarHBondContact NZ-OG 3.23Å
274E41Very low47.8Very low196 Ų19686.3 Ų86.392%0.91645%0.449SS*.  trans-145.7160.8167.4-68.4-169.3166.300111.5
275K34.4Very low46.4Very low181 Ų18188.5 Ų88.579%0.78746%0.463SS*.  trans-115.9140.6-156.5-76.1-179.5170.3-177.30114.1
276N36.9Very low45Very low127 Ų12784 Ų8468%0.67944%0.441SS*.  trans124.5-177147-63.1-24.6000115.7E230E230-N276 WeakPolarHBondContact CG-O 3.38Å; E230-N276 WeakPolarHBondContact OE1-CA 3.41Å; E230-N276 VanDerWaalsContact OE1-CB 3.32Å; E230-N276 WeakPolarHBondContact OE1-CB 3.18Å; E230-N276 PolarHBondContact OE1-N 3.29Å
277E33.8Very low43.9Very low116 Ų11687.3 Ų87.354%0.54246%0.46SS..  trans-96.2140.9-133.9-61.3170.415100115.7V219V219-E277 HydrophobicContact CG2-CB 4.31Å; V219-E277 HydrophobicContact CG2-CG 3.94Å
278H36.7Very low43.2Very low123 Ų12386 Ų8657%0.56945%0.451SS*.SBendtrans151.2149.8140.4-66.7-31.6000112.6S217S217-H278 VanDerWaalsContact CB-ND1 3.28Å; S217-H278 WeakPolarHBondContact CB-ND1 3.44Å
279D41.7Very low42.8Very low44 Ų4487.4 Ų87.424%0.23546%0.455CS..SBendtrans45.782.5-169.1-76.7-1.4000115.9P214P214-D279 VanDerWaalsContact CA-OD2 3.32Å; P214-D279 WeakPolarHBondContact CA-OD2 3.11Å
280C44.5Very low42.1Very low29 Ų2994.3 Ų94.320%0.19648%0.479CS..  trans-99.5130.7-171.1-52.10000112.5T212 A225 R282T212-C280 WeakPolarHBondContact CG2-O 3.43Å; T212-C280 PolarHBondContact OG1-O 3.12Å; A225-C280 HydrophobicContact CB-CB 3.73Å; C280-R282 HydrophobicContact CB-CG 4.4Å; C280-R282 PolarHBondContact O-N 3.3Å
281I52.8Low41.7Very low3 Ų3100.4 Ų100.42%0.01549%0.488CS..  trans-67.5131.2154-68157.2000107.3L209 A210 L211 A225 V226 I228 A234 I237 V246L209-I281 HydrophobicContact CB-CG2 4.22Å; L209-I281 HydrophobicContact CD2-CG2 3.88Å; L209-I281 HydrophobicContact CG-CG2 4.45Å; A210-I281 WeakPolarHBondContact O-CA 3.4Å; L211-I281 HydrophobicContact CD1-CG1 3.82Å; A225-I281 CarbonylContact C-O 3.48Å; A225-I281 VanDerWaalsContact CA-O 3.29Å; A225-I281 WeakPolarHBondContact CA-O 3.39Å; V226-I281 HydrophobicContact CB-CB 4.07Å; V226-I281 HydrophobicContact CB-CG2 4.12Å; V226-I281 HydrophobicContact CG2-CB 4.21Å; V226-I281 HydrophobicContact CG2-CG2 3.71Å; V226-I281 PolarHBondContact N-O 2.91Å; I228-I281 HydrophobicContact CG1-CD1 4.18Å; A234-I281 HydrophobicContact CB-CD1 3.24Å; A234-I281 HydrophobicContact CB-CG1 3.55Å; I237-I281 HydrophobicContact CG2-CD1 3.88Å; I237-I281 HydrophobicContact CG2-CG1 3.98Å; I237-I281 HydrophobicContact CG2-CG2 4.28Å; V246-I281 HydrophobicContact CB-CD1 3.89Å; V246-I281 HydrophobicContact CG1-CD1 3.15Å; V246-I281 HydrophobicContact CG2-CD1 3.43Å; V246-I281 VanDerWaalsContact CG2-CD1 3.43Å
282R60.5Low41.2Very low8 Ų8100.2 Ų100.23%0.0350%0.502CS..EExtended strand (participates in β ladder)trans-110126.6176.3-53.1-161.6-174.5105-8.7110.5F193 L209 A210 K218 P223 V224 C280F193-R282 VanDerWaalsContact CD1-NH1 3.31Å; F193-R282 HydrophobicContact CE1-CB 4.38Å; F193-R282 HydrophobicContact CE1-CG 4.44Å; L209-R282 WeakPolarHBondContact CA-O 3.3Å; A210-R282 PolarHBondContact N-O 2.77Å; A210-R282 PolarHBondContact O-N 2.62Å; K218-R282 PolarHBondContact O-NH2 3.04Å; P223-R282 HydrophobicContact CB-CB 3.92Å; P223-R282 HydrophobicContact CG-CB 3.71Å; P223-R282 HydrophobicContact CG-CG 4.41Å; V224-R282 CarbonylContact O-C 3.48Å; V224-R282 VanDerWaalsContact O-CA 3.3Å; V224-R282 WeakPolarHBondContact O-CA 3.46Å; C280-R282 HydrophobicContact CB-CG 4.4Å; C280-R282 PolarHBondContact O-N 3.3Å
283L60.4Low40.7Very low11 Ų11101 Ų1016%0.05851%0.505CS..EExtended strand (participates in β ladder)trans-86.8117170.8-176.174.4000108.4H207 T208 L209 P223 V224 V226 V285 F297H207-L283 HydrophobicContact CB-CD1 4.21Å; T208-L283 WeakPolarHBondContact O-CA 3.42Å; L209-L283 HydrophobicContact CD2-CB 4.07Å; L209-L283 HydrophobicContact CD2-CD1 3.47Å; L209-L283 VanDerWaalsContact CD2-CD1 3.47Å; L209-L283 HydrophobicContact CD2-CG 4.36Å; L209-L283 HydrophobicContact CG-CD1 4.37Å; P223-L283 WeakPolarHBondContact CB-O 3.24Å; V224-L283 PolarHBondContact N-O 3.42Å; V224-L283 VanDerWaalsContact N-O 3.11Å; V224-L283 PolarHBondContact O-N 3.04Å; V226-L283 HydrophobicContact CG2-CB 4.19Å; L283-V285 HydrophobicContact CD1-CG2 4.3Å; L283-V285 HydrophobicContact CD2-CG2 3.34Å; L283-V285 HydrophobicContact CG-CG2 3.45Å; L283-V285 VanDerWaalsContact CG-CG2 3.45Å; L283-V285 PolarHBondContact O-N 3.28Å; L283-F297 HydrophobicContact CD2-CE2 3.91Å; L283-F297 HydrophobicContact CD2-CZ 3.69Å
284M59.9Low40.4Very low3 Ų3104 Ų1042%0.01552%0.518CS..EExtended strand (participates in β ladder)trans-83.698.2172.4-58.8-168.1-71.700108.3M157 V165 L190 F193 T208 P223M157-M284 HydrophobicContact CE-CE 3.81Å; M157-M284 HydrophobicContact SD-CE 3.85Å; V165-M284 HydrophobicContact CG1-CE 4.32Å; L190-M284 HydrophobicContact CD2-CE 4.16Å; L190-M284 HydrophobicContact CD2-SD 3.21Å; L190-M284 WeakPolarHBondContact CD2-SD 3.04Å; F193-M284 HydrophobicContact CE2-SD 3.75Å; F193-M284 HydrophobicContact CZ-CG 4.46Å; F193-M284 HydrophobicContact CZ-SD 4.06Å; T208-M284 HydrophobicContact CG2-CE 3.24Å; T208-M284 PolarHBondContact O-N 3.26Å; P223-M284 HydrophobicContact CB-CB 4.44Å; P223-M284 HydrophobicContact CB-CG 3.78Å; P223-M284 HydrophobicContact CG-CG 4.02Å
285V50.5Low39.7Very low56 Ų56102.4 Ų102.434%0.33951%0.511SS..  trans-126.9137.4165.9-161.80000106.7L283L283-V285 HydrophobicContact CD1-CG2 4.3Å; L283-V285 HydrophobicContact CD2-CG2 3.34Å; L283-V285 HydrophobicContact CG-CG2 3.45Å; L283-V285 VanDerWaalsContact CG-CG2 3.45Å; L283-V285 PolarHBondContact O-N 3.28Å
286S38Very low39.6Very low17 Ų1798.2 Ų98.212%0.11950%0.502CS..  trans-79.6125.5164.8169.80000109.7G174 L181 S288G174-S286 PolarHBondContact O-N 2.78Å; L181-S286 VanDerWaalsContact CD2-OG 3.31Å; L181-S286 WeakPolarHBondContact CD2-OG 3.13Å; S286-S288 PolarHBondContact O-N 3.1Å
287D39.8Very low39.6Very low112 Ų11298.8 Ų98.860%0.59950%0.499SS*.  trans-59.3109.3163.2-97.9-23000109.1V289D287-V289 PolarHBondContact O-N 3.37Å
288S38.4Very low39.5Very low86 Ų8696.1 Ų96.160%0.60149%0.493SS*.  trans-68.7118.4170.4-600000108.8S286 K290S286-S288 PolarHBondContact O-N 3.1Å; S288-K290 PolarHBondContact O-N 3.04Å; S288-K290 VanDerWaalsContact O-N 3.09Å
289V35.3Very low39.3Very low133 Ų13394 Ų9481%0.80649%0.492SS*.  trans-49.3112.9174.8175.70000111.5D287 R291D287-V289 PolarHBondContact O-N 3.37Å; V289-R291 PolarHBondContact O-N 2.79Å
290K28.5Very low39Very low198 Ų19899.5 Ų99.586%0.86152%0.516SS*.  trans21.491.6152.7-65.6-178.5179.9175.90116.6S288S288-K290 PolarHBondContact O-N 3.04Å; S288-K290 VanDerWaalsContact O-N 3.09Å
291R29.2Very low38.8Very low250 Ų250101.3 Ų101.394%0.94353%0.529SS*.SBendtrans-134.3100.9143.8-78.9-169.2179.7-174.71.4110V289V289-R291 PolarHBondContact O-N 2.79Å
292G30.6Very low38.7Very low73 Ų73103 Ų10375%0.75354%0.538SS*.SBendtrans82.3132.7172.100000113.5K294G292-K294 PolarHBondContact O-N 3.3Å
293K26.9Very low38.5Very low216 Ų216103.6 Ų103.694%0.93954%0.544SS*.  trans-49.9100.1178.6-68.1173.2173.8179.40111.7
294K28.7Very low38Very low201 Ų201105.4 Ų105.487%0.87455%0.552SS**  trans-140.8120.7151.7-78.3-166.1174.3-175.50107G292G292-K294 PolarHBondContact O-N 3.3Å
295E26Very low37.5Very low164 Ų164106 Ų10677%0.76656%0.557SS**  trans-58.5141.8178.9-64.3-178.1155.300110.3F297E295-F297 PolarHBondContact O-N 2.99Å
296P32.6Very low36.9Very low92 Ų92112.3 Ų112.360%0.59758%0.575SS**SBendtrans-68.2117.7168.629.5-28.4000107
297F37.5Very low36.7Very low139 Ų139113.9 Ų113.961%0.6159%0.585SS**  trans51.188.6-179.1-78.5-93.3000115.3L283 E295 S299L283-F297 HydrophobicContact CD2-CE2 3.91Å; L283-F297 HydrophobicContact CD2-CZ 3.69Å; E295-F297 PolarHBondContact O-N 2.99Å; F297-S299 PolarHBondContact O-N 2.81Å
298S31.5Very low36.4Very low60 Ų60117.6 Ų117.642%0.4262%0.615SS.*  trans-56.9136.4148.554.60000107.3E300S298-E300 PolarHBondContact O-N 3.49Å; S298-E300 PolarHBondContact OG-OE2 2.7Å
299S32.4Very low36.3Very low79 Ų79119.2 Ų119.255%0.55262%0.616SS**  trans-69.446.9-179.945.50000113K273 F297 S301K273-S299 WeakPolarHBondContact CE-O 3.46Å; K273-S299 VanDerWaalsContact NZ-CB 3.33Å; K273-S299 PolarHBondContact NZ-O 2.95Å; K273-S299 PolarHBondContact NZ-OG 3.23Å; F297-S299 PolarHBondContact O-N 2.81Å; S299-S301 PolarHBondContact O-N 3.42Å
300E34.7Very low36.3Very low160 Ų160118.4 Ų118.475%0.74861%0.606SS**  trans-83.5105.7177.2-74-178.3146.800109.7S298S298-E300 PolarHBondContact O-N 3.49Å; S298-E300 PolarHBondContact OG-OE2 2.7Å
301S41.8Very low36.7Very low67 Ų67114 Ų11447%0.46959%0.592SS.*  trans52.874.8165.658.20000116.7S299 A303S299-S301 PolarHBondContact O-N 3.42Å; S301-A303 VanDerWaalsContact C-N 3.26Å; S301-A303 PolarHBondContact O-N 3.45Å; S301-A303 VanDerWaalsContact O-N 3.08Å
302L49.7Very low37.2Very low39 Ų39106 Ų10620%0.20457%0.571CS.*  trans-65.799.5141.2-161.5102.9000105.9V226 P227 I228 Y254 F256V226-L302 HydrophobicContact CG1-CD1 4.08Å; P227-L302 HydrophobicContact CG-CD1 4.37Å; P227-L302 WeakPolarHBondContact O-CD2 3.32Å; I228-L302 HydrophobicContact CD1-CD1 4.41Å; I228-L302 HydrophobicContact CD1-CD2 4.39Å; Y254-L302 HydrophobicContact CD1-CD2 3.17Å; Y254-L302 HydrophobicContact CD1-CG 3.92Å; Y254-L302 HydrophobicContact CE1-CD2 3.7Å; Y254-L302 HydrophobicContact CG-CD2 3.92Å; Y254-L302 HydrophobicContact CG-CG 4.44Å; F256-L302 HydrophobicContact CD1-CD1 3.96Å
303A56.7Low37.6Very low19 Ų19108.1 Ų108.116%0.15756%0.56CS.*EExtended strand (participates in β ladder)trans-91.9132.6-179.800000108.4Y254 A255 F266 S301Y254-A303 CarbonylContact C-O 3.58Å; Y254-A303 VanDerWaalsContact CA-O 3.29Å; Y254-A303 WeakPolarHBondContact CA-O 3Å; A255-A303 PolarHBondContact N-O 3.16Å; A255-A303 PolarHBondContact O-N 2.97Å; A255-A303 VanDerWaalsContact O-N 3.09Å; F266-A303 HydrophobicContact CD2-CB 3.3Å; F266-A303 HydrophobicContact CE2-CB 3.53Å; F266-A303 WeakPolarHBondContact CE2-O 3.15Å; F266-A303 HydrophobicContact CG-CB 4.47Å; S301-A303 VanDerWaalsContact C-N 3.26Å; S301-A303 PolarHBondContact O-N 3.45Å; S301-A303 VanDerWaalsContact O-N 3.08Å
304K49.5Very low38.3Very low50 Ų50100.9 Ų100.922%0.21754%0.535CS..EExtended strand (participates in β ladder)trans-108.3139.1-173.4177.7177.9179.2159.40108.1Y232 N252 L253 Y254 C269Y232-K304 VanDerWaalsContact CE2-NZ 3.29Å; N252-K304 VanDerWaalsContact CG-CE 3.46Å; N252-K304 WeakPolarHBondContact OD1-CE 3.47Å; N252-K304 PolarHBondContact OD1-NZ 2.82Å; N252-K304 VanDerWaalsContact OD1-NZ 3.16Å; L253-K304 CarbonylContact O-C 3.42Å; L253-K304 VanDerWaalsContact O-CA 3.25Å; L253-K304 WeakPolarHBondContact O-CA 3.17Å; Y254-K304 HydrophobicContact CD1-CB 3.91Å; Y254-K304 HydrophobicContact CD1-CG 4.15Å; Y254-K304 HydrophobicContact CE1-CB 3.79Å; Y254-K304 HydrophobicContact CE1-CD 3.72Å; Y254-K304 HydrophobicContact CE1-CG 3.7Å; Y254-K304 PolarHBondContact OH-NZ 3.48Å; C269-K304 WeakPolarHBondContact CB-O 3.43Å; C269-K304 PolarHBondContact SG-O 3.1Å
305A50.3Low39Very low16 Ų1693.7 Ų93.713%0.13251%0.51CS..EExtended strand (participates in β ladder)trans-132.2167.316100000110.5N252 L253 F266N252-A305 CarbonylContact C-O 3.53Å; N252-A305 WeakPolarHBondContact CA-O 3.32Å; L253-A305 PolarHBondContact N-O 3.49Å; L253-A305 PolarHBondContact O-N 3.02Å; F266-A305 HydrophobicContact CB-CB 4.46Å; F266-A305 HydrophobicContact CD1-CB 3.18Å; F266-A305 HydrophobicContact CE1-CB 3.46Å; F266-A305 VanDerWaalsContact CE1-CB 3.46Å; F266-A305 HydrophobicContact CG-CB 4Å; F266-A305 HydrophobicContact CZ-CB 4.46Å
306R36.3Very low40Very low188 Ų18888.3 Ų88.371%0.70949%0.491SS*.EExtended strand (participates in β ladder)trans-107.7120.7171.3-153.5175.4-170.2-163.4-1.3107.3N251N251-R306 WeakPolarHBondContact O-CA 3.28Å
307C34.4Very low40.6Very low49 Ų4988 Ų8833%0.33148%0.482SS..  trans-65.4138.5171.1-67.30000108.9N251N251-C307 HydrophobicContact CB-CB 4.22Å; N251-C307 PolarHBondContact O-N 2.72Å
308P32.7Very low40.9Very low190 Ų19083.4 Ų83.4100%1.23447%0.47SS*.  trans-59.90175.624.9-31.8000112.7

Retrieved 308 of 308 residues in 633.5 ms (Link to these results)