A0A087X462_POEFO Loading...

glycerol kinase

AlphaFold DB , UniProt , Accession A0A087X462, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 557 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
1M35.4Very low51.5Low242 Ų242119 Ų119100%1.19266%0.662SS**  097.20-81.4-177.1-101.500107.3A3M1-A3 PolarHBondContact O-N 3.3Å
2V35.4Very low55Low147 Ų147111.8 Ų111.889%0.89163%0.625SS**  trans-82.2111.6178.2-179.60000106S4V2-S4 PolarHBondContact O-N 2.94Å; V2-S4 VanDerWaalsContact O-N 3.09Å
3A36Very low58.2Low92 Ų92103.2 Ų103.276%0.7658%0.577SS**  trans-62.7112173.200000107.8M1 S5M1-A3 PolarHBondContact O-N 3.3Å; A3-S5 PolarHBondContact O-N 3.09Å
4S42.6Very low61.1Low94 Ų9495.9 Ų95.966%0.65754%0.536SS*.  trans-64.196.4170.8560000108.3V2 H6V2-S4 PolarHBondContact O-N 2.94Å; V2-S4 VanDerWaalsContact O-N 3.09Å; S4-H6 PolarHBondContact O-N 3.47Å
5S47Very low63.6Low88 Ų8889.5 Ų89.562%0.61550%0.5SS*.  trans-60.4106.6166.749.50000107.3A3 R7A3-S5 PolarHBondContact O-N 3.09Å; S5-R7 PolarHBondContact O-N 3.31Å
6H47.5Very low65.8Low164 Ų16483.9 Ų83.976%0.75947%0.469SS*.  trans-60.4100.7170.7-90.343.9000107.3S4 I8S4-H6 PolarHBondContact O-N 3.47Å; H6-I8 PolarHBondContact O-N 3.42Å
7R54.4Low67.7Low173 Ų17378.9 Ų78.965%0.65344%0.441SS*.  trans-60.6121.3167-72-172.9-174.4-173.82.8106.8S5 N9 D82S5-R7 PolarHBondContact O-N 3.31Å; R7-N9 PolarHBondContact O-N 2.67Å; R7-D82 IonicContact CZ-OD2 3.49Å; R7-D82 IonicContact NH1-OD2 2.81Å; R7-D82 PolarHBondContact NH1-OD2 2.97Å
8I58.3Low69.4Low99 Ų9975.1 Ų75.151%0.50842%0.419SS..  trans-68.8116.9176.3-56.1173.9000106.1H6 L10H6-I8 PolarHBondContact O-N 3.42Å; I8-L10 HydrophobicContact CB-CD1 4.07Å; I8-L10 HydrophobicContact CG2-CD1 3.41Å; I8-L10 VanDerWaalsContact CG2-CD1 3.41Å; I8-L10 HydrophobicContact CG2-CG 3.88Å; I8-L10 PolarHBondContact O-N 3.05Å
9N60.8Low70.9Confident145 Ų14571.1 Ų71.178%0.77540%0.397SS*.  trans-7873.1178.7-157.95.5000109.7R7R7-N9 PolarHBondContact O-N 2.67Å
10L78.1Confident72Confident39 Ų3968.3 Ų68.320%0.20439%0.385CS..  trans-88.6108.5170.7-90.6141.6000108.1I8 L37 I81 N85I8-L10 HydrophobicContact CB-CD1 4.07Å; I8-L10 HydrophobicContact CG2-CD1 3.41Å; I8-L10 VanDerWaalsContact CG2-CD1 3.41Å; I8-L10 HydrophobicContact CG2-CG 3.88Å; I8-L10 PolarHBondContact O-N 3.05Å; L10-L37 HydrophobicContact CD2-CD1 4.14Å; L10-L37 HydrophobicContact CD2-CD2 4.19Å; L10-I81 HydrophobicContact CD1-CD1 3.9Å; L10-I81 HydrophobicContact CD1-CG1 4.05Å; L10-N85 PolarHBondContact O-ND2 2.94Å
11G71.1Confident72.8Confident26 Ų2666.1 Ų66.127%0.26837%0.373SS..  trans169163.5173.300000115.6
12P93.3Very high75.2Confident33 Ų3357.6 Ų57.621%0.21434%0.337CS..SBendcis-74.9151.915.1-15.730.7000115.3S31 K87 V473P12-S31 WeakPolarHBondContact O-CB 3.26Å; P12-S31 PolarHBondContact O-N 2.75Å; P12-S31 PolarHBondContact O-OG 2.89Å; P12-K87 HydrophobicContact CB-CG 3.93Å; P12-V473 HydrophobicContact CB-CB 3.74Å; P12-V473 HydrophobicContact CB-CG1 3.8Å; P12-V473 HydrophobicContact CB-CG2 4.3Å; P12-V473 HydrophobicContact CG-CB 3.99Å; P12-V473 HydrophobicContact CG-CG1 3.97Å
13L97.3Very high77.9Confident0 Ų050.8 Ų50.80%030%0.296CS..EExtended strand (participates in β ladder)trans-112.5155.9176.7-51.9-178.4000111.1V28 F29 N30 L37 I81 N85 I86 K87L13-V28 HydrophobicContact CB-CG1 4.02Å; L13-V28 HydrophobicContact CD1-CG1 4.18Å; L13-F29 CarbonylContact C-O 3.34Å; L13-F29 VanDerWaalsContact CA-O 3.29Å; L13-F29 WeakPolarHBondContact CA-O 3.29Å; L13-N30 HydrophobicContact CD2-CB 4.26Å; L13-L37 HydrophobicContact CD1-CD1 4.14Å; L13-L37 HydrophobicContact CD2-CD1 3.39Å; L13-L37 HydrophobicContact CG-CD1 4.4Å; L13-I81 HydrophobicContact CD1-CG2 3.72Å; L13-N85 HydrophobicContact CD1-CB 3.94Å; L13-N85 HydrophobicContact CG-CB 3.89Å; L13-N85 PolarHBondContact N-O 2.89Å; L13-I86 HydrophobicContact CB-CG1 4.06Å; L13-I86 HydrophobicContact CD1-CG1 4.5Å; L13-I86 CarbonylContact O-C 3.45Å; L13-I86 WeakPolarHBondContact O-CA 3.37Å; L13-K87 PolarHBondContact O-N 3Å
14V98.4Very high80.9Confident0 Ų046.4 Ų46.40%026%0.26CS..EExtended strand (participates in β ladder)trans-135.5130.9175.8-173.30000109.7F29 A88 A462 A465 V473 W474V14-F29 PolarHBondContact N-O 3.19Å; V14-F29 PolarHBondContact O-N 2.94Å; V14-A88 HydrophobicContact CG1-CB 4.1Å; V14-A88 WeakPolarHBondContact CG1-O 3.42Å; V14-A462 HydrophobicContact CB-CB 4.24Å; V14-A462 HydrophobicContact CG1-CB 3.91Å; V14-A462 WeakPolarHBondContact CG1-O 3.41Å; V14-A465 HydrophobicContact CG1-CB 4.05Å; V14-V473 HydrophobicContact CG2-CG2 3.6Å; V14-W474 HydrophobicContact CB-CE3 4.37Å; V14-W474 HydrophobicContact CB-CZ3 4.44Å; V14-W474 HydrophobicContact CG2-CE3 4.03Å
15G98.4Very high83.5Confident0 Ų045 Ų450%024%0.24CC..EExtended strand (participates in β ladder)trans-89.8154174.500000111.9L27 A88 V89 G90G15-L27 CarbonylContact C-O 3.57Å; G15-L27 VanDerWaalsContact CA-O 3.28Å; G15-L27 WeakPolarHBondContact CA-O 3.45Å; G15-A88 PolarHBondContact N-O 2.8Å; G15-V89 CarbonylContact O-C 3.57Å; G15-V89 VanDerWaalsContact O-CA 3.28Å; G15-V89 WeakPolarHBondContact O-CA 3.21Å; G15-G90 PolarHBondContact O-N 3.1Å
16A98.7Very high86Confident0 Ų040.8 Ų40.80%021%0.211CC..EExtended strand (participates in β ladder)trans-137.7128.1171.200000110.3F26 L27 F29 G90 A458 A461 A462A16-F26 VanDerWaalsContact O-CA 3.31Å; A16-F26 WeakPolarHBondContact O-CA 3.49Å; A16-F26 VanDerWaalsContact O-CD2 3.26Å; A16-F26 WeakPolarHBondContact O-CD2 3.29Å; A16-L27 PolarHBondContact N-O 2.85Å; A16-L27 PolarHBondContact O-N 3.21Å; A16-F29 HydrophobicContact CB-CE2 4.29Å; A16-G90 CarbonylContact C-O 3.58Å; A16-G90 WeakPolarHBondContact CA-O 3.39Å; A16-A458 HydrophobicContact CB-CB 4.12Å; A16-A458 WeakPolarHBondContact CB-O 3.29Å; A16-A461 HydrophobicContact CB-CB 4.24Å; A16-A462 HydrophobicContact CB-CB 4.11Å
17I98.8Very high88.4Confident0 Ų033.1 Ų33.10%018%0.176CC..EExtended strand (participates in β ladder)trans-87.9120.8166.9-60.6163.7000106.7F26 V65 I69 V89 G90 V91 T92 L184 L188I17-F26 HydrophobicContact CB-CD2 4.48Å; I17-F26 HydrophobicContact CG1-CD2 3.62Å; I17-F26 HydrophobicContact CG1-CE2 4.01Å; I17-V65 HydrophobicContact CD1-CG1 3.78Å; I17-V65 HydrophobicContact CG1-CG1 4.17Å; I17-V65 HydrophobicContact CG2-CG1 4.03Å; I17-V65 HydrophobicContact CG2-CG2 3.91Å; I17-I69 HydrophobicContact CD1-CD1 4.08Å; I17-I69 HydrophobicContact CG1-CD1 4.35Å; I17-V89 HydrophobicContact CD1-CG1 3.92Å; I17-V89 HydrophobicContact CG1-CG1 4.04Å; I17-G90 PolarHBondContact N-O 3.4Å; I17-V91 HydrophobicContact CD1-CG2 4.22Å; I17-T92 WeakPolarHBondContact O-CG2 3.41Å; I17-T92 PolarHBondContact O-N 3.17Å; I17-L184 HydrophobicContact CG2-CD1 4.29Å; I17-L188 HydrophobicContact CD1-CD1 3.66Å
18D98.2Very high90.4Very high9 Ų924.9 Ų24.95%0.04815%0.145CC..EExtended strand (participates in β ladder)trans-113.599.4171.8-176.811.3000109.1G20 T24 R25 L27 T92 A458D18-G20 PolarHBondContact O-N 3.23Å; D18-T24 CarbonylContact O-C 3.54Å; D18-T24 WeakPolarHBondContact O-CA 3.41Å; D18-R25 HydrophobicContact CB-CB 4.37Å; D18-R25 PolarHBondContact N-O 3.25Å; D18-R25 PolarHBondContact O-N 2.65Å; D18-L27 HydrophobicContact CB-CD1 4.47Å; D18-T92 HydrophobicContact CB-CG2 3.89Å; D18-A458 HydrophobicContact CB-CB 4.21Å
19Q98.1Very high92.2Very high0 Ų020.2 Ų20.20%012%0.12CC..EExtended strand (participates in β ladder)trans-91.589.5178.1-160.5-70-46.700109.1I61 T92 N93 Q94 I180 L184Q19-I61 HydrophobicContact CG-CG2 3.58Å; Q19-T92 PolarHBondContact N-O 2.99Å; Q19-N93 HydrophobicContact CB-CB 4.27Å; Q19-N93 CarbonylContact O-C 3.32Å; Q19-N93 WeakPolarHBondContact O-CA 3.48Å; Q19-Q94 PolarHBondContact O-N 2.75Å; Q19-I180 HydrophobicContact CB-CG2 4.14Å; Q19-I180 HydrophobicContact CG-CG2 3.82Å; Q19-L184 HydrophobicContact CB-CD1 3.95Å; Q19-L184 HydrophobicContact CG-CD1 4.17Å
20G93Very high93.8Very high15 Ų1514 Ų1416%0.1559%0.087CC..  trans-85.5171175.900000113D18 S22 S23D18-G20 PolarHBondContact O-N 3.23Å; G20-S22 VanDerWaalsContact C-N 3.26Å; G20-S22 PolarHBondContact O-N 3.25Å; G20-S23 CarbonylContact C-O 3.53Å; G20-S23 WeakPolarHBondContact CA-O 3.37Å; G20-S23 PolarHBondContact N-O 2.86Å
21T87.6Confident94.4Very high23 Ų2312.4 Ų12.414%0.1418%0.079CC..SBendtrans-70.4-14.8179.3-54.10000114.5Q46 E56 Q94 V114 W115 L116T21-Q46 VanDerWaalsContact CG2-NE2 3.25Å; T21-Q46 PolarHBondContact O-NE2 3.33Å; T21-E56 VanDerWaalsContact O-OE1 3.06Å; T21-Q94 WeakPolarHBondContact OG1-CB 3.29Å; T21-Q94 PolarHBondContact OG1-OE1 2.61Å; T21-V114 HydrophobicContact CG2-CG1 3.95Å; T21-W115 PolarHBondContact OG1-NE1 3.38Å; T21-L116 HydrophobicContact CG2-CD2 3.96Å
22S86.6Confident95.3Very high62 Ų6218 Ų1843%0.43410%0.097SC..SBendtrans-122.7-17-180-54.40000113.4G20 I44G20-S22 VanDerWaalsContact C-N 3.26Å; G20-S22 PolarHBondContact O-N 3.25Å; S22-I44 PolarHBondContact O-N 3.38Å
23S92.8Very high95Very high4 Ų419.7 Ų19.73%0.02811%0.106CC..EExtended strand (participates in β ladder)trans-159.1152.6179.362.30000111G20 Q41 V42G20-S23 CarbonylContact C-O 3.53Å; G20-S23 WeakPolarHBondContact CA-O 3.37Å; G20-S23 PolarHBondContact N-O 2.86Å; S23-Q41 PolarHBondContact OG-NE2 2.88Å; S23-V42 CarbonylContact C-O 3.46Å; S23-V42 WeakPolarHBondContact CA-O 3.34Å; S23-V42 VanDerWaalsContact CB-O 3.24Å; S23-V42 WeakPolarHBondContact CB-O 3.37Å
24T97.8Very high94.6Very high0 Ų020.2 Ų20.20%011%0.11CC..EExtended strand (participates in β ladder)trans-99.5141.8166.5-62.60000108.8D18 Q41 V42 S64 V65 C68D18-T24 CarbonylContact O-C 3.54Å; D18-T24 WeakPolarHBondContact O-CA 3.41Å; T24-Q41 CarbonylContact O-C 3.58Å; T24-Q41 WeakPolarHBondContact O-CA 3.35Å; T24-V42 PolarHBondContact N-O 3.05Å; T24-V42 PolarHBondContact O-N 2.84Å; T24-S64 WeakPolarHBondContact CB-OG 3.31Å; T24-S64 PolarHBondContact OG1-OG 2.87Å; T24-V65 HydrophobicContact CG2-CB 4.29Å; T24-V65 HydrophobicContact CG2-CG2 3.53Å; T24-C68 PolarHBondContact O-SG 3.38Å; T24-C68 VanDerWaalsContact O-SG 3.34Å
25R97.6Very high94.2Very high64 Ų6425.4 Ų25.424%0.24214%0.135CC..EExtended strand (participates in β ladder)trans-131.7151.2175.2-51.4172.8-150.6164.89.5110.2D18 L27 H40 Q41 E455D18-R25 HydrophobicContact CB-CB 4.37Å; D18-R25 PolarHBondContact N-O 3.25Å; D18-R25 PolarHBondContact O-N 2.65Å; R25-L27 HydrophobicContact CB-CD1 3.52Å; R25-H40 VanDerWaalsContact CA-O 3.24Å; R25-H40 WeakPolarHBondContact CA-O 3.35Å; R25-Q41 HydrophobicContact CG-CB 3.92Å; R25-Q41 HydrophobicContact CG-CG 3.8Å; R25-E455 IonicContact CZ-OE2 3.13Å; R25-E455 IonicContact NH1-OE1 2.71Å; R25-E455 IonicContact NH1-OE2 2.87Å; R25-E455 PolarHBondContact NH1-OE2 3.33Å
26F98.6Very high93.9Very high1 Ų127.3 Ų27.30%0.00415%0.145CC..EExtended strand (participates in β ladder)trans-127.1125.9163.3-174.5-104.4000109.1A16 I17 V28 H39 H40 C68 I69 A72 V89 L250A16-F26 VanDerWaalsContact O-CA 3.31Å; A16-F26 WeakPolarHBondContact O-CA 3.49Å; A16-F26 VanDerWaalsContact O-CD2 3.26Å; A16-F26 WeakPolarHBondContact O-CD2 3.29Å; I17-F26 HydrophobicContact CB-CD2 4.48Å; I17-F26 HydrophobicContact CG1-CD2 3.62Å; I17-F26 HydrophobicContact CG1-CE2 4.01Å; F26-V28 HydrophobicContact CD1-CG2 4.12Å; F26-V28 HydrophobicContact CE1-CG2 3.54Å; F26-V28 HydrophobicContact CZ-CG2 4.24Å; F26-H39 CarbonylContact O-C 3.44Å; F26-H39 WeakPolarHBondContact O-CA 3.45Å; F26-H40 PolarHBondContact N-O 2.85Å; F26-H40 PolarHBondContact O-N 2.97Å; F26-C68 HydrophobicContact CB-CB 3.6Å; F26-I69 HydrophobicContact CB-CG1 4.27Å; F26-I69 HydrophobicContact CD1-CB 4.46Å; F26-I69 HydrophobicContact CD1-CG1 4.16Å; F26-I69 HydrophobicContact CD2-CG1 3.66Å; F26-I69 HydrophobicContact CE1-CG1 4.39Å; F26-I69 HydrophobicContact CE2-CG1 3.94Å; F26-I69 HydrophobicContact CG-CB 4.47Å; F26-I69 HydrophobicContact CG-CG1 3.77Å; F26-I69 HydrophobicContact CZ-CG1 4.29Å; F26-A72 HydrophobicContact CD1-CB 3.61Å; F26-A72 HydrophobicContact CE1-CB 4.3Å; F26-V89 HydrophobicContact CE2-CG1 4.09Å; F26-V89 HydrophobicContact CE2-CG2 4.28Å; F26-V89 HydrophobicContact CZ-CG2 4.34Å; F26-L250 HydrophobicContact CE1-CD1 4.08Å; F26-L250 HydrophobicContact CE2-CD1 4.3Å; F26-L250 HydrophobicContact CZ-CD1 3.51Å
27L98.2Very high93.7Very high3 Ų328.6 Ų28.62%0.01615%0.152CC..EExtended strand (participates in β ladder)trans-123.3143.6-174.7-64.189.2000109.5G15 A16 D18 R25 F29 L36 S38 H39 E455 A458G15-L27 CarbonylContact C-O 3.57Å; G15-L27 VanDerWaalsContact CA-O 3.28Å; G15-L27 WeakPolarHBondContact CA-O 3.45Å; A16-L27 PolarHBondContact N-O 2.85Å; A16-L27 PolarHBondContact O-N 3.21Å; D18-L27 HydrophobicContact CB-CD1 4.47Å; R25-L27 HydrophobicContact CB-CD1 3.52Å; L27-F29 HydrophobicContact CB-CD2 4.39Å; L27-F29 HydrophobicContact CB-CE2 3.57Å; L27-F29 HydrophobicContact CB-CZ 3.86Å; L27-F29 HydrophobicContact CD2-CE2 4.48Å; L27-F29 HydrophobicContact CD2-CZ 3.95Å; L27-L36 HydrophobicContact CB-CD1 3.78Å; L27-L36 HydrophobicContact CD2-CD1 3.86Å; L27-L36 HydrophobicContact CD2-CD2 4.14Å; L27-L36 HydrophobicContact CG-CD1 4.21Å; L27-S38 CarbonylContact C-O 3.58Å; L27-S38 WeakPolarHBondContact CA-O 3.33Å; L27-H39 HydrophobicContact CB-CB 4.44Å; L27-H39 HydrophobicContact CD2-CB 4.33Å; L27-H39 HydrophobicContact CG-CB 3.85Å; L27-E455 HydrophobicContact CD2-CB 3.68Å; L27-E455 HydrophobicContact CD2-CG 3.71Å; L27-A458 HydrophobicContact CB-CB 4.3Å; L27-A458 HydrophobicContact CD1-CB 3.64Å; L27-A458 HydrophobicContact CD2-CB 4.02Å; L27-A458 HydrophobicContact CG-CB 4.19Å
28V97.8Very high93.5Very high0 Ų028.9 Ų28.90%015%0.154CC..EExtended strand (participates in β ladder)trans-123.1121.2178.8-176.20000110L13 F26 L37 S38 L76 I86L13-V28 HydrophobicContact CB-CG1 4.02Å; L13-V28 HydrophobicContact CD1-CG1 4.18Å; F26-V28 HydrophobicContact CD1-CG2 4.12Å; F26-V28 HydrophobicContact CE1-CG2 3.54Å; F26-V28 HydrophobicContact CZ-CG2 4.24Å; V28-L37 PolarHBondContact O-N 2.63Å; V28-S38 PolarHBondContact N-O 3.08Å; V28-L76 HydrophobicContact CB-CD1 4.24Å; V28-L76 HydrophobicContact CG1-CD1 4.03Å; V28-L76 HydrophobicContact CG2-CD1 4.04Å; V28-I86 HydrophobicContact CG1-CD1 4.02Å; V28-I86 HydrophobicContact CG1-CG1 3.96Å; V28-I86 HydrophobicContact CG2-CD1 3.96Å
29F95.4Very high93.5Very high0 Ų033 Ų330%017%0.172CC..EExtended strand (participates in β ladder)trans-110.9148.7-175.6-60.6-87.3000111.8L13 V14 A16 L27 E35 L36 A458 L459 A462 W474L13-F29 CarbonylContact C-O 3.34Å; L13-F29 VanDerWaalsContact CA-O 3.29Å; L13-F29 WeakPolarHBondContact CA-O 3.29Å; V14-F29 PolarHBondContact N-O 3.19Å; V14-F29 PolarHBondContact O-N 2.94Å; A16-F29 HydrophobicContact CB-CE2 4.29Å; L27-F29 HydrophobicContact CB-CD2 4.39Å; L27-F29 HydrophobicContact CB-CE2 3.57Å; L27-F29 HydrophobicContact CB-CZ 3.86Å; L27-F29 HydrophobicContact CD2-CE2 4.48Å; L27-F29 HydrophobicContact CD2-CZ 3.95Å; F29-E35 CarbonylContact C-O 3.54Å; F29-E35 VanDerWaalsContact CA-O 3.28Å; F29-E35 WeakPolarHBondContact CA-O 3.15Å; F29-L36 HydrophobicContact CD1-CB 4.19Å; F29-L36 HydrophobicContact CD1-CD1 4.19Å; F29-L36 HydrophobicContact CE1-CB 4.03Å; F29-L36 HydrophobicContact CE1-CD1 3.85Å; F29-L36 HydrophobicContact CE1-CG 4.49Å; F29-L36 HydrophobicContact CZ-CD1 4.05Å; F29-A458 HydrophobicContact CE2-CB 4.07Å; F29-A458 HydrophobicContact CZ-CB 4.1Å; F29-L459 HydrophobicContact CD1-CD1 3.97Å; F29-L459 HydrophobicContact CE1-CB 4.24Å; F29-L459 HydrophobicContact CE1-CD1 4.17Å; F29-L459 HydrophobicContact CG-CD1 4.25Å; F29-L459 HydrophobicContact CZ-CB 4.14Å; F29-A462 HydrophobicContact CD2-CB 3.68Å; F29-A462 HydrophobicContact CE2-CB 4.22Å; F29-A462 HydrophobicContact CG-CB 4.45Å; F29-W474 HydrophobicContact CB-CH2 4.06Å; F29-W474 HydrophobicContact CB-CZ3 3.97Å
30N93.7Very high93.4Very high14 Ų1434.8 Ų34.88%0.07518%0.18CC..EExtended strand (participates in β ladder)trans-77.1121.6164.2-176.4-34.6000109.8L13 K32 T33 A34 E35 L37L13-N30 HydrophobicContact CD2-CB 4.26Å; N30-K32 PolarHBondContact O-N 2.98Å; N30-K32 PolarHBondContact OD1-N 3.25Å; N30-T33 VanDerWaalsContact CB-OG1 3.31Å; N30-T33 WeakPolarHBondContact CB-OG1 3.29Å; N30-T33 VanDerWaalsContact CG-OG1 3.29Å; N30-T33 PolarHBondContact O-N 2.97Å; N30-A34 WeakPolarHBondContact O-CA 3.23Å; N30-A34 PolarHBondContact O-N 3.23Å; N30-E35 HydrophobicContact CB-CB 4.38Å; N30-E35 PolarHBondContact N-O 3.18Å; N30-L37 HydrophobicContact CB-CD1 4.21Å; N30-L37 HydrophobicContact CB-CG 4.44Å
31S91.9Very high93.6Very high6 Ų638.5 Ų38.54%0.04219%0.194CC..THydrogen-bonded Turntrans-66.3-18.6-175.159.50000115.8P12 V473 W474P12-S31 WeakPolarHBondContact O-CB 3.26Å; P12-S31 PolarHBondContact O-N 2.75Å; P12-S31 PolarHBondContact O-OG 2.89Å; S31-V473 VanDerWaalsContact CB-O 3.31Å; S31-V473 WeakPolarHBondContact CB-O 3.44Å; S31-V473 PolarHBondContact OG-O 3.16Å; S31-W474 VanDerWaalsContact CA-CE3 3.43Å
32K88.6Confident94.1Very high145 Ų14538.7 Ų38.763%0.6320%0.195SC*.THydrogen-bonded Turntrans-95.9-31.1-178.6-63-176.7177.3178.60113.1N30N30-K32 PolarHBondContact O-N 2.98Å; N30-K32 PolarHBondContact OD1-N 3.25Å
33T87.6Confident94.5Very high67 Ų6743.3 Ų43.341%0.41121%0.209SC..THydrogen-bonded Turntrans-109.2-14.2-174.261.80000113.2N30 E35 S482N30-T33 VanDerWaalsContact CB-OG1 3.31Å; N30-T33 WeakPolarHBondContact CB-OG1 3.29Å; N30-T33 VanDerWaalsContact CG-OG1 3.29Å; N30-T33 PolarHBondContact O-N 2.97Å; T33-E35 PolarHBondContact O-N 3.4Å; T33-E35 VanDerWaalsContact OG1-CB 3.27Å; T33-E35 WeakPolarHBondContact OG1-CB 3.2Å; T33-E35 PolarHBondContact OG1-N 2.94Å; T33-S482 PolarHBondContact O-OG 2.96Å; T33-S482 VanDerWaalsContact O-OG 3.06Å
34A88.8Confident94.5Very high11 Ų1143.7 Ų43.79%0.09121%0.211CC..  trans62.311.7-167.900000114.5N30 L459 W474N30-A34 WeakPolarHBondContact O-CA 3.23Å; N30-A34 PolarHBondContact O-N 3.23Å; A34-L459 HydrophobicContact CB-CD1 4.05Å; A34-W474 HydrophobicContact CB-CH2 4.08Å; A34-W474 HydrophobicContact CB-CZ2 3.83Å
35E89.3Confident94.1Very high109 Ų10950 Ų5051%0.50924%0.239SC..  trans-68.6133.7179.6-175.2-178.9-166.700111.4F29 N30 T33 L37F29-E35 CarbonylContact C-O 3.54Å; F29-E35 VanDerWaalsContact CA-O 3.28Å; F29-E35 WeakPolarHBondContact CA-O 3.15Å; N30-E35 HydrophobicContact CB-CB 4.38Å; N30-E35 PolarHBondContact N-O 3.18Å; T33-E35 PolarHBondContact O-N 3.4Å; T33-E35 VanDerWaalsContact OG1-CB 3.27Å; T33-E35 WeakPolarHBondContact OG1-CB 3.2Å; T33-E35 PolarHBondContact OG1-N 2.94Å; E35-L37 HydrophobicContact CG-CD2 4.06Å; E35-L37 PolarHBondContact O-N 3.48Å
36L92.6Very high93.7Very high41 Ų4149.5 Ų49.522%0.21524%0.239CC..EExtended strand (participates in β ladder)trans-78.3114.8172.3178.163.5000110.3L27 F29 S38 H39 M453L27-L36 HydrophobicContact CB-CD1 3.78Å; L27-L36 HydrophobicContact CD2-CD1 3.86Å; L27-L36 HydrophobicContact CD2-CD2 4.14Å; L27-L36 HydrophobicContact CG-CD1 4.21Å; F29-L36 HydrophobicContact CD1-CB 4.19Å; F29-L36 HydrophobicContact CD1-CD1 4.19Å; F29-L36 HydrophobicContact CE1-CB 4.03Å; F29-L36 HydrophobicContact CE1-CD1 3.85Å; F29-L36 HydrophobicContact CE1-CG 4.49Å; F29-L36 HydrophobicContact CZ-CD1 4.05Å; L36-S38 WeakPolarHBondContact CD1-O 3.04Å; L36-H39 HydrophobicContact CD1-CB 4.4Å; L36-M453 HydrophobicContact CB-CE 4.4Å; L36-M453 HydrophobicContact CB-SD 3.68Å; L36-M453 HydrophobicContact CD2-CE 3.64Å; L36-M453 HydrophobicContact CD2-SD 4.02Å
37L94.1Very high93.3Very high27 Ų2751.7 Ų51.714%0.14125%0.25CS..EExtended strand (participates in β ladder)trans-97.6-32.4-176.5-59.5-178.5000113.5L10 L13 V28 N30 E35 L76 I81L10-L37 HydrophobicContact CD2-CD1 4.14Å; L10-L37 HydrophobicContact CD2-CD2 4.19Å; L13-L37 HydrophobicContact CD1-CD1 4.14Å; L13-L37 HydrophobicContact CD2-CD1 3.39Å; L13-L37 HydrophobicContact CG-CD1 4.4Å; V28-L37 PolarHBondContact O-N 2.63Å; N30-L37 HydrophobicContact CB-CD1 4.21Å; N30-L37 HydrophobicContact CB-CG 4.44Å; E35-L37 HydrophobicContact CG-CD2 4.06Å; E35-L37 PolarHBondContact O-N 3.48Å; L37-L76 HydrophobicContact CB-CD2 4.22Å; L37-I81 HydrophobicContact CD1-CD1 4.36Å
38S95.9Very high92.9Very high6 Ų657.6 Ų57.64%0.04228%0.276CS..EExtended strand (participates in β ladder)trans-154.3147-179.7-178.10000110.2L27 V28 L36 A72 K75L27-S38 CarbonylContact C-O 3.58Å; L27-S38 WeakPolarHBondContact CA-O 3.33Å; V28-S38 PolarHBondContact N-O 3.08Å; L36-S38 WeakPolarHBondContact CD1-O 3.04Å; S38-A72 PolarHBondContact OG-O 2.74Å; S38-K75 WeakPolarHBondContact OG-CB 3.33Å
39H96.7Very high92.6Very high94 Ų9461 Ų6144%0.43530%0.298SS..EExtended strand (participates in β ladder)trans-151.3158.1170.167.3-77.2000112F26 L27 L36 K75F26-H39 CarbonylContact O-C 3.44Å; F26-H39 WeakPolarHBondContact O-CA 3.45Å; L27-H39 HydrophobicContact CB-CB 4.44Å; L27-H39 HydrophobicContact CD2-CB 4.33Å; L27-H39 HydrophobicContact CG-CB 3.85Å; L36-H39 HydrophobicContact CD1-CB 4.4Å; H39-K75 WeakPolarHBondContact O-CD 3.42Å; H39-K75 PolarHBondContact O-NZ 3.26Å
40H97.9Very high92.2Very high38 Ų3867.1 Ų67.118%0.17633%0.325CS..EExtended strand (participates in β ladder)trans-140.8153.5165.1-165.576.8000109.8R25 F26 R71 A72R25-H40 VanDerWaalsContact CA-O 3.24Å; R25-H40 WeakPolarHBondContact CA-O 3.35Å; F26-H40 PolarHBondContact N-O 2.85Å; F26-H40 PolarHBondContact O-N 2.97Å; H40-R71 HydrophobicContact CB-CB 3.85Å; H40-R71 VanDerWaalsContact CG-CB 3.4Å; H40-A72 HydrophobicContact CB-CB 4.41Å
41Q97Very high91.4Very high93 Ų9375.8 Ų75.844%0.43537%0.365SS..EExtended strand (participates in β ladder)trans-138.5135.8-177.9175.4172.1-16.100109.4S23 T24 R25S23-Q41 PolarHBondContact OG-NE2 2.88Å; T24-Q41 CarbonylContact O-C 3.58Å; T24-Q41 WeakPolarHBondContact O-CA 3.35Å; R25-Q41 HydrophobicContact CG-CB 3.92Å; R25-Q41 HydrophobicContact CG-CG 3.8Å
42V97.6Very high90.8Very high27 Ų2777 Ų7716%0.16438%0.379CS..EExtended strand (participates in β ladder)trans-126.6128.8174.4175.20000107.9S23 T24 E67S23-V42 CarbonylContact C-O 3.46Å; S23-V42 WeakPolarHBondContact CA-O 3.34Å; S23-V42 VanDerWaalsContact CB-O 3.24Å; S23-V42 WeakPolarHBondContact CB-O 3.37Å; T24-V42 PolarHBondContact N-O 3.05Å; T24-V42 PolarHBondContact O-N 2.84Å; V42-E67 HydrophobicContact CG2-CB 4.33Å; V42-E67 HydrophobicContact CG2-CG 3.94Å
43E94.1Very high90.9Very high159 Ų15972.3 Ų72.374%0.74336%0.357SS*.EExtended strand (participates in β ladder)trans-71.5146.4176-65.5-174.7163.600111.2
44I93.4Very high91Very high13 Ų1369.4 Ų69.47%0.06734%0.339CS..  trans-109.7134176.9-59.3-61.1000109.3S22 Q46 E56 E60 I61 S64S22-I44 PolarHBondContact O-N 3.38Å; I44-Q46 PolarHBondContact O-N 3.01Å; I44-E56 HydrophobicContact CG2-CG 4.18Å; I44-E60 HydrophobicContact CD1-CG 4.43Å; I44-I61 HydrophobicContact CG2-CG1 4.43Å; I44-S64 WeakPolarHBondContact CD1-OG 3.34Å
45K90.4Very high91.4Very high132 Ų13269.2 Ų69.257%0.57434%0.336SS*.  trans-76.6122.6174.9-172.2-179178.3-174.30110.9L47 E60K45-L47 HydrophobicContact CD-CD2 4.09Å; K45-L47 HydrophobicContact CG-CD2 4.28Å; K45-E60 WeakPolarHBondContact CB-OE1 3.06Å; K45-E60 PolarHBondContact N-OE1 3.44Å
46Q87.8Confident91.9Very high53 Ų5364 Ų6425%0.24831%0.312CS..  trans-85.4134.8167.2-63.2-178-2600110.3T21 I44 F48T21-Q46 VanDerWaalsContact CG2-NE2 3.25Å; T21-Q46 PolarHBondContact O-NE2 3.33Å; I44-Q46 PolarHBondContact O-N 3.01Å; Q46-F48 HydrophobicContact CB-CE2 3.69Å; Q46-F48 HydrophobicContact CB-CZ 3.68Å
47L91.5Very high92.1Very high47 Ų4764.7 Ų64.725%0.24632%0.316CS..BIsolated β-bridgetrans-104134.6177-56.8175.9000109.1K45 P49 V54 E55K45-L47 HydrophobicContact CD-CD2 4.09Å; K45-L47 HydrophobicContact CG-CD2 4.28Å; L47-P49 WeakPolarHBondContact O-CD 3.48Å; L47-V54 WeakPolarHBondContact O-CA 3.36Å; L47-E55 HydrophobicContact CB-CB 4.06Å; L47-E55 WeakPolarHBondContact CB-O 3.5Å; L47-E55 PolarHBondContact N-O 3.33Å; L47-E55 PolarHBondContact O-N 2.98Å
48F89.1Confident92.4Very high128 Ų12863.5 Ų63.556%0.56131%0.31SS*.  trans-12375.5178.8-55.9-84000110Q46 K50 W53 V54Q46-F48 HydrophobicContact CB-CE2 3.69Å; Q46-F48 HydrophobicContact CB-CZ 3.68Å; F48-K50 PolarHBondContact O-N 3.26Å; F48-W53 WeakPolarHBondContact CA-O 3.42Å; F48-W53 WeakPolarHBondContact CD1-O 3.44Å; F48-V54 HydrophobicContact CD1-CG1 4.46Å; F48-V54 HydrophobicContact CD1-CG2 3.81Å; F48-V54 HydrophobicContact CE1-CB 4.34Å; F48-V54 HydrophobicContact CE1-CG1 3.94Å; F48-V54 HydrophobicContact CE1-CG2 3.66Å
49P91.9Very high92.5Very high71 Ų7168.1 Ų68.146%0.46133%0.329SS..SBendtrans-63.5-29.5-174.5-21.733.1000113.4L47 E55L47-P49 WeakPolarHBondContact O-CD 3.48Å; P49-E55 HydrophobicContact CG-CG 4.37Å
50K86.3Confident92.5Very high129 Ų12966.6 Ų66.656%0.56132%0.322SS*.SBendtrans-147.3164.5179.2-63.5-178.1-177.4173.40109.7F48 G52 W53F48-K50 PolarHBondContact O-N 3.26Å; K50-G52 PolarHBondContact O-N 3.35Å; K50-W53 HydrophobicContact CB-CB 4.25Å; K50-W53 HydrophobicContact CB-CD2 4.06Å; K50-W53 HydrophobicContact CB-CG 3.84Å; K50-W53 HydrophobicContact CD-CD2 4.24Å; K50-W53 HydrophobicContact CD-CE3 4.48Å; K50-W53 HydrophobicContact CD-CH2 4.32Å; K50-W53 HydrophobicContact CD-CZ2 4.06Å; K50-W53 HydrophobicContact CG-CD2 4.43Å; K50-W53 WeakPolarHBondContact O-CB 3.21Å; K50-W53 PolarHBondContact O-N 2.61Å
51E77.9Confident92.6Very high196 Ų19664.8 Ų64.892%0.91631%0.314SS*.THydrogen-bonded Turntrans-55.1131.7172.4-174.2175.8-172.900111.2W53E51-W53 PolarHBondContact O-N 3.5Å
52G77.9Confident92.6Very high32 Ų3261.8 Ų61.833%0.3330%0.3SS..THydrogen-bonded Turntrans73.3-3.4-177.200000115.3K50 L118K50-G52 PolarHBondContact O-N 3.35Å; G52-L118 PolarHBondContact O-N 3.44Å
53W91.2Very high92.7Very high46 Ų4666.1 Ų66.117%0.17432%0.319CS..  trans-95.8132.5178.6-69.636.1000110.1F48 K50 E51 D117 R119 W158F48-W53 WeakPolarHBondContact CA-O 3.42Å; F48-W53 WeakPolarHBondContact CD1-O 3.44Å; K50-W53 HydrophobicContact CB-CB 4.25Å; K50-W53 HydrophobicContact CB-CD2 4.06Å; K50-W53 HydrophobicContact CB-CG 3.84Å; K50-W53 HydrophobicContact CD-CD2 4.24Å; K50-W53 HydrophobicContact CD-CE3 4.48Å; K50-W53 HydrophobicContact CD-CH2 4.32Å; K50-W53 HydrophobicContact CD-CZ2 4.06Å; K50-W53 HydrophobicContact CG-CD2 4.43Å; K50-W53 WeakPolarHBondContact O-CB 3.21Å; K50-W53 PolarHBondContact O-N 2.61Å; E51-W53 PolarHBondContact O-N 3.5Å; W53-D117 VanDerWaalsContact CA-OD2 3.26Å; W53-D117 WeakPolarHBondContact CA-OD2 3.28Å; W53-R119 HydrophobicContact CD2-CB 3.92Å; W53-R119 VanDerWaalsContact CE2-CB 3.45Å; W53-R119 VanDerWaalsContact CE3-NH1 3.27Å; W53-R119 HydrophobicContact CG-CB 4.07Å; W53-R119 HydrophobicContact CZ2-CB 3.92Å; W53-R119 VanDerWaalsContact CZ3-NH1 3.31Å; W53-R119 VanDerWaalsContact NE1-CB 3.31Å; W53-W158 AromaticContact CH2-CH2 3.92Å; W53-W158 HydrophobicContact CH2-CH2 3.92Å; W53-W158 AromaticContact CH2-CZ2 3.48Å; W53-W158 HydrophobicContact CH2-CZ2 3.48Å; W53-W158 VanDerWaalsContact CH2-CZ2 3.48Å; W53-W158 HydrophobicContact CZ2-CZ2 4.17Å; W53-W158 HydrophobicContact CZ3-CH2 4.03Å; W53-W158 HydrophobicContact CZ3-CZ2 4.06Å
54V90.4Very high92.9Very high6 Ų658.8 Ų58.84%0.03629%0.285CS..  trans-136.4119.7-179.2-170.40000109.5L47 F48 V114 L116 D117L47-V54 WeakPolarHBondContact O-CA 3.36Å; F48-V54 HydrophobicContact CD1-CG1 4.46Å; F48-V54 HydrophobicContact CD1-CG2 3.81Å; F48-V54 HydrophobicContact CE1-CB 4.34Å; F48-V54 HydrophobicContact CE1-CG1 3.94Å; F48-V54 HydrophobicContact CE1-CG2 3.66Å; V54-V114 HydrophobicContact CB-CB 4.14Å; V54-V114 HydrophobicContact CG1-CB 3.87Å; V54-V114 HydrophobicContact CG1-CG1 4.2Å; V54-V114 HydrophobicContact CG1-CG2 3.98Å; V54-V114 WeakPolarHBondContact O-CB 3.28Å; V54-V114 PolarHBondContact O-N 3.03Å; V54-L116 HydrophobicContact CB-CD1 3.95Å; V54-L116 HydrophobicContact CB-CG 4.37Å; V54-L116 HydrophobicContact CG1-CD1 4.02Å; V54-L116 HydrophobicContact CG1-CG 4.33Å; V54-L116 HydrophobicContact CG2-CD1 3.4Å; V54-L116 VanDerWaalsContact CG2-CD1 3.4Å; V54-L116 HydrophobicContact CG2-CG 4.31Å; V54-D117 HydrophobicContact CB-CB 4.44Å; V54-D117 PolarHBondContact N-OD2 3.01Å
55E97.6Very high93.1Very high7 Ų758.2 Ų58.23%0.03328%0.282CS..EExtended strand (participates in β ladder)trans-128.7153.6-176.3-69.8178.3-167.600111.4L47 P49 Y110 N111 A112 R119L47-E55 HydrophobicContact CB-CB 4.06Å; L47-E55 WeakPolarHBondContact CB-O 3.5Å; L47-E55 PolarHBondContact N-O 3.33Å; L47-E55 PolarHBondContact O-N 2.98Å; P49-E55 HydrophobicContact CG-CG 4.37Å; E55-Y110 WeakPolarHBondContact OE1-CE1 3.32Å; E55-Y110 PolarHBondContact OE1-OH 3.48Å; E55-Y110 VanDerWaalsContact OE1-OH 3.11Å; E55-N111 HydrophobicContact CB-CB 3.9Å; E55-N111 HydrophobicContact CG-CB 4.15Å; E55-N111 WeakPolarHBondContact OE2-CB 3.22Å; E55-N111 PolarHBondContact OE2-ND2 2.87Å; E55-A112 VanDerWaalsContact CA-O 3.25Å; E55-A112 WeakPolarHBondContact CA-O 3.28Å; E55-R119 IonicContact OE1-CZ 3.32Å; E55-R119 IonicContact OE1-NH1 2.6Å; E55-R119 PolarHBondContact OE1-NH1 3.45Å; E55-R119 IonicContact OE1-NH2 3.94Å; E55-R119 PolarHBondContact OE1-NH2 3.06Å
56E98.1Very high93.5Very high0 Ų054.6 Ų54.60%027%0.265CS..EExtended strand (participates in β ladder)trans-131.2144.9169.6-71.6169.5-177.100109.2T21 I44 P58 I61 Q94 A112 V114T21-E56 VanDerWaalsContact O-OE1 3.06Å; I44-E56 HydrophobicContact CG2-CG 4.18Å; E56-P58 VanDerWaalsContact O-CD 3.28Å; E56-P58 WeakPolarHBondContact O-CD 2.98Å; E56-I61 HydrophobicContact CB-CD1 3.92Å; E56-I61 HydrophobicContact CB-CG1 4.44Å; E56-I61 WeakPolarHBondContact OE2-CD1 3.23Å; E56-Q94 PolarHBondContact OE2-NE2 3.38Å; E56-A112 HydrophobicContact CB-CB 4.38Å; E56-A112 PolarHBondContact N-O 2.82Å; E56-A112 VanDerWaalsContact N-O 3.11Å; E56-A112 WeakPolarHBondContact O-CB 3.34Å; E56-A112 PolarHBondContact O-N 2.85Å; E56-V114 HydrophobicContact CB-CG2 4.27Å; E56-V114 HydrophobicContact CG-CG2 3.7Å
57D98.5Very high94Very high55 Ų5555.5 Ų55.529%0.29427%0.269SS..  trans-76.1116173.3-178.5-14.7000109.6K59 E60 I61D57-K59 PolarHBondContact O-N 2.88Å; D57-K59 VanDerWaalsContact O-N 3.12Å; D57-K59 WeakPolarHBondContact OD1-CB 3.19Å; D57-K59 PolarHBondContact OD1-N 3.12Å; D57-E60 HydrophobicContact CB-CB 3.91Å; D57-E60 WeakPolarHBondContact O-CB 3.09Å; D57-E60 PolarHBondContact O-N 3.28Å; D57-E60 VanDerWaalsContact O-N 3.07Å; D57-I61 WeakPolarHBondContact O-CG1 3.4Å; D57-I61 PolarHBondContact O-N 2.99Å; D57-I61 VanDerWaalsContact O-N 3.08Å
58P98.6Very high94.4Very high1 Ų153.2 Ų53.21%0.00626%0.258CS..Hα-helixtrans-60.6-24.2-179.6-22.334.4000114E56 L62 V99 P108 A112 W183E56-P58 VanDerWaalsContact O-CD 3.28Å; E56-P58 WeakPolarHBondContact O-CD 2.98Å; P58-L62 PolarHBondContact O-N 3.12Å; P58-L62 VanDerWaalsContact O-N 3.13Å; P58-V99 HydrophobicContact CB-CG1 4.05Å; P58-V99 HydrophobicContact CG-CG1 3.92Å; P58-P108 HydrophobicContact CB-CB 4.16Å; P58-P108 HydrophobicContact CB-CG 3.77Å; P58-P108 HydrophobicContact CG-CB 3.89Å; P58-P108 HydrophobicContact CG-CG 4.04Å; P58-A112 HydrophobicContact CG-CB 4.17Å; P58-W183 HydrophobicContact CB-CZ2 4.1Å; P58-W183 PolarHBondContact O-NE1 2.85Å
59K98.3Very high94.8Very high103 Ų10347.5 Ų47.545%0.44823%0.233SC..Hα-helixtrans-76.5-38.8175.3-64.5-179.1178.1177.90112.1D57 I61 L62 Q63 E107 P108D57-K59 PolarHBondContact O-N 2.88Å; D57-K59 VanDerWaalsContact O-N 3.12Å; D57-K59 WeakPolarHBondContact OD1-CB 3.19Å; D57-K59 PolarHBondContact OD1-N 3.12Å; K59-I61 VanDerWaalsContact C-N 3.32Å; K59-L62 PolarHBondContact O-N 2.99Å; K59-Q63 WeakPolarHBondContact O-CB 3.37Å; K59-Q63 PolarHBondContact O-N 3.5Å; K59-E107 WeakPolarHBondContact CE-OE2 3.29Å; K59-E107 IonicContact NZ-OE2 2.64Å; K59-E107 PolarHBondContact NZ-OE2 3.22Å; K59-P108 HydrophobicContact CG-CG 4.2Å
60E98.4Very high95.1Very high63 Ų6348.6 Ų48.629%0.29423%0.232SC..Hα-helixtrans-61.5-44.8173.4-174.1-177.2155.600110.1I44 K45 D57 L62 Q63 S64I44-E60 HydrophobicContact CD1-CG 4.43Å; K45-E60 WeakPolarHBondContact CB-OE1 3.06Å; K45-E60 PolarHBondContact N-OE1 3.44Å; D57-E60 HydrophobicContact CB-CB 3.91Å; D57-E60 WeakPolarHBondContact O-CB 3.09Å; D57-E60 PolarHBondContact O-N 3.28Å; D57-E60 VanDerWaalsContact O-N 3.07Å; E60-L62 VanDerWaalsContact C-N 3.35Å; E60-L62 PolarHBondContact O-N 3.28Å; E60-Q63 PolarHBondContact O-N 2.98Å; E60-S64 WeakPolarHBondContact O-CB 3.43Å; E60-S64 PolarHBondContact O-N 2.85Å; E60-S64 PolarHBondContact O-OG 3.19Å
61I98.5Very high95.7Very high0 Ų047.6 Ų47.60%023%0.225CC..Hα-helixtrans-54-52.2172.6-64.8174.4000110.3Q19 I44 E56 D57 K59 Q63 S64 V65 I180 L184Q19-I61 HydrophobicContact CG-CG2 3.58Å; I44-I61 HydrophobicContact CG2-CG1 4.43Å; E56-I61 HydrophobicContact CB-CD1 3.92Å; E56-I61 HydrophobicContact CB-CG1 4.44Å; E56-I61 WeakPolarHBondContact OE2-CD1 3.23Å; D57-I61 WeakPolarHBondContact O-CG1 3.4Å; D57-I61 PolarHBondContact O-N 2.99Å; D57-I61 VanDerWaalsContact O-N 3.08Å; K59-I61 VanDerWaalsContact C-N 3.32Å; I61-Q63 PolarHBondContact O-N 3.4Å; I61-S64 PolarHBondContact O-N 3.44Å; I61-S64 PolarHBondContact O-OG 3.46Å; I61-V65 WeakPolarHBondContact O-CG2 3.32Å; I61-V65 PolarHBondContact O-N 2.83Å; I61-I180 HydrophobicContact CD1-CD1 3.81Å; I61-L184 HydrophobicContact CG2-CD2 4.2Å
62L98.3Very high96.6Very high29 Ų2938.3 Ų38.315%0.15218%0.181CC..Hα-helixtrans-63.4-42.9-178.8-179.863.4000112.7P58 K59 E60 S64 V65 Y66 W183 L184 C187P58-L62 PolarHBondContact O-N 3.12Å; P58-L62 VanDerWaalsContact O-N 3.13Å; K59-L62 PolarHBondContact O-N 2.99Å; E60-L62 VanDerWaalsContact C-N 3.35Å; E60-L62 PolarHBondContact O-N 3.28Å; L62-S64 VanDerWaalsContact C-N 3.32Å; L62-S64 PolarHBondContact O-N 3.37Å; L62-V65 WeakPolarHBondContact O-CB 3.12Å; L62-V65 PolarHBondContact O-N 2.97Å; L62-Y66 HydrophobicContact CD1-CD2 4.26Å; L62-Y66 HydrophobicContact CD1-CE2 3.66Å; L62-Y66 HydrophobicContact CD2-CE2 4.04Å; L62-Y66 HydrophobicContact CG-CD2 4.06Å; L62-Y66 HydrophobicContact CG-CE2 3.6Å; L62-Y66 WeakPolarHBondContact O-CD2 3.39Å; L62-Y66 PolarHBondContact O-N 2.9Å; L62-W183 HydrophobicContact CD2-CZ2 4.46Å; L62-L184 HydrophobicContact CD1-CD2 4.3Å; L62-C187 HydrophobicContact CD1-CB 3.57Å; L62-C187 HydrophobicContact CD2-CB 3.79Å; L62-C187 HydrophobicContact CG-CB 4.34Å
63Q98.2Very high97.6Very high119 Ų11937 Ų3756%0.55617%0.167SC*.Hα-helixtrans-62.5-41.6179.8-1775839.200111.5K59 E60 I61 V65 Y66 E67K59-Q63 WeakPolarHBondContact O-CB 3.37Å; K59-Q63 PolarHBondContact O-N 3.5Å; E60-Q63 PolarHBondContact O-N 2.98Å; I61-Q63 PolarHBondContact O-N 3.4Å; Q63-V65 VanDerWaalsContact C-N 3.26Å; Q63-V65 PolarHBondContact O-N 2.88Å; Q63-Y66 PolarHBondContact O-N 2.96Å; Q63-E67 PolarHBondContact O-N 3.45Å
64S98.5Very high97.9Very high4 Ų438.9 Ų38.93%0.02818%0.178CC..Hα-helixtrans-61.9-33.6176.775.70000112.8T24 I44 E60 I61 L62 C68T24-S64 WeakPolarHBondContact CB-OG 3.31Å; T24-S64 PolarHBondContact OG1-OG 2.87Å; I44-S64 WeakPolarHBondContact CD1-OG 3.34Å; E60-S64 WeakPolarHBondContact O-CB 3.43Å; E60-S64 PolarHBondContact O-N 2.85Å; E60-S64 PolarHBondContact O-OG 3.19Å; I61-S64 PolarHBondContact O-N 3.44Å; I61-S64 PolarHBondContact O-OG 3.46Å; L62-S64 VanDerWaalsContact C-N 3.32Å; L62-S64 PolarHBondContact O-N 3.37Å; S64-C68 WeakPolarHBondContact O-CB 3.46Å; S64-C68 PolarHBondContact O-N 3.43Å; S64-C68 PolarHBondContact O-SG 3.01Å
65V98.6Very high98.2Very high1 Ų142.2 Ų42.21%0.00619%0.192CC..Hα-helixtrans-66.3-47.8176170.30000110.2I17 T24 I61 L62 Q63 E67 C68 I69 L184 L188I17-V65 HydrophobicContact CD1-CG1 3.78Å; I17-V65 HydrophobicContact CG1-CG1 4.17Å; I17-V65 HydrophobicContact CG2-CG1 4.03Å; I17-V65 HydrophobicContact CG2-CG2 3.91Å; T24-V65 HydrophobicContact CG2-CB 4.29Å; T24-V65 HydrophobicContact CG2-CG2 3.53Å; I61-V65 WeakPolarHBondContact O-CG2 3.32Å; I61-V65 PolarHBondContact O-N 2.83Å; L62-V65 WeakPolarHBondContact O-CB 3.12Å; L62-V65 PolarHBondContact O-N 2.97Å; Q63-V65 VanDerWaalsContact C-N 3.26Å; Q63-V65 PolarHBondContact O-N 2.88Å; V65-E67 PolarHBondContact O-N 3.06Å; V65-C68 PolarHBondContact O-N 2.93Å; V65-I69 HydrophobicContact CG1-CD1 3.82Å; V65-I69 VanDerWaalsContact O-CG1 3.32Å; V65-I69 WeakPolarHBondContact O-CG1 3.47Å; V65-I69 PolarHBondContact O-N 2.82Å; V65-L184 HydrophobicContact CG2-CD1 4.27Å; V65-L184 HydrophobicContact CG2-CD2 3.85Å; V65-L188 HydrophobicContact CG1-CD1 4.37Å; V65-L188 HydrophobicContact CG1-CD2 4.37Å
66Y98.4Very high98.1Very high57 Ų5741.9 Ų41.922%0.22419%0.19CC..Hα-helixtrans-59.8-46.2177.2-74-58.3000111.7L62 Q63 C68 I69 E70 L188L62-Y66 HydrophobicContact CD1-CD2 4.26Å; L62-Y66 HydrophobicContact CD1-CE2 3.66Å; L62-Y66 HydrophobicContact CD2-CE2 4.04Å; L62-Y66 HydrophobicContact CG-CD2 4.06Å; L62-Y66 HydrophobicContact CG-CE2 3.6Å; L62-Y66 WeakPolarHBondContact O-CD2 3.39Å; L62-Y66 PolarHBondContact O-N 2.9Å; Q63-Y66 PolarHBondContact O-N 2.96Å; Y66-C68 PolarHBondContact O-N 3.03Å; Y66-I69 PolarHBondContact O-N 3.33Å; Y66-E70 WeakPolarHBondContact O-CG 3.34Å; Y66-E70 PolarHBondContact O-N 2.98Å; Y66-L188 HydrophobicContact CD1-CD2 4.34Å; Y66-L188 HydrophobicContact CE1-CD2 3.62Å
67E98.4Very high97.9Very high71 Ų7146.1 Ų46.133%0.33222%0.216SC..Hα-helixtrans-60.1-46.5177.2179.5169.1-176.200111.8V42 Q63 V65 I69 E70 R71V42-E67 HydrophobicContact CG2-CB 4.33Å; V42-E67 HydrophobicContact CG2-CG 3.94Å; Q63-E67 PolarHBondContact O-N 3.45Å; V65-E67 PolarHBondContact O-N 3.06Å; E67-I69 VanDerWaalsContact C-N 3.33Å; E67-I69 PolarHBondContact O-N 2.9Å; E67-E70 PolarHBondContact O-N 3.29Å; E67-R71 HydrophobicContact CG-CG 4.07Å; E67-R71 WeakPolarHBondContact O-CB 3.49Å; E67-R71 VanDerWaalsContact O-CG 3.24Å; E67-R71 WeakPolarHBondContact O-CG 3.45Å; E67-R71 PolarHBondContact O-N 3.39Å
68C98.6Very high97.8Very high0 Ų050.4 Ų50.40%023%0.234CC..Hα-helixtrans-59.8-42.8178.3-73.30000112.5T24 F26 S64 V65 Y66 A72T24-C68 PolarHBondContact O-SG 3.38Å; T24-C68 VanDerWaalsContact O-SG 3.34Å; F26-C68 HydrophobicContact CB-CB 3.6Å; S64-C68 WeakPolarHBondContact O-CB 3.46Å; S64-C68 PolarHBondContact O-N 3.43Å; S64-C68 PolarHBondContact O-SG 3.01Å; V65-C68 PolarHBondContact O-N 2.93Å; Y66-C68 PolarHBondContact O-N 3.03Å; C68-A72 VanDerWaalsContact O-CB 3.23Å; C68-A72 WeakPolarHBondContact O-CB 3.4Å; C68-A72 PolarHBondContact O-N 3.49Å
69I98.6Very high97.5Very high7 Ų754.8 Ų54.84%0.03626%0.257CS..Hα-helixtrans-62-50.7177.3-69.8167.2000110.5I17 F26 V65 Y66 E67 A72 C73 L250I17-I69 HydrophobicContact CD1-CD1 4.08Å; I17-I69 HydrophobicContact CG1-CD1 4.35Å; F26-I69 HydrophobicContact CB-CG1 4.27Å; F26-I69 HydrophobicContact CD1-CB 4.46Å; F26-I69 HydrophobicContact CD1-CG1 4.16Å; F26-I69 HydrophobicContact CD2-CG1 3.66Å; F26-I69 HydrophobicContact CE1-CG1 4.39Å; F26-I69 HydrophobicContact CE2-CG1 3.94Å; F26-I69 HydrophobicContact CG-CB 4.47Å; F26-I69 HydrophobicContact CG-CG1 3.77Å; F26-I69 HydrophobicContact CZ-CG1 4.29Å; V65-I69 HydrophobicContact CG1-CD1 3.82Å; V65-I69 VanDerWaalsContact O-CG1 3.32Å; V65-I69 WeakPolarHBondContact O-CG1 3.47Å; V65-I69 PolarHBondContact O-N 2.82Å; Y66-I69 PolarHBondContact O-N 3.33Å; E67-I69 VanDerWaalsContact C-N 3.33Å; E67-I69 PolarHBondContact O-N 2.9Å; I69-A72 PolarHBondContact O-N 2.94Å; I69-C73 WeakPolarHBondContact O-CB 3.31Å; I69-C73 PolarHBondContact O-N 2.95Å; I69-C73 PolarHBondContact O-SG 3.44Å; I69-L250 HydrophobicContact CG2-CD1 3.63Å; I69-L250 HydrophobicContact CG2-CG 3.83Å
70E98.2Very high97.3Very high95 Ų9554.3 Ų54.344%0.44426%0.259SS..Hα-helixtrans-60-51.7-178.7-74.1-178.1173.300111.3Y66 E67 A72 C73 E74Y66-E70 WeakPolarHBondContact O-CG 3.34Å; Y66-E70 PolarHBondContact O-N 2.98Å; E67-E70 PolarHBondContact O-N 3.29Å; E70-A72 PolarHBondContact O-N 3.17Å; E70-C73 PolarHBondContact O-N 3.1Å; E70-C73 VanDerWaalsContact O-N 3.15Å; E70-E74 WeakPolarHBondContact O-CG 3.28Å; E70-E74 PolarHBondContact O-N 3.06Å
71R98.4Very high97.1Very high108 Ų10851.8 Ų51.841%0.40825%0.248SC..Hα-helixtrans-63.9-37.7-177.8-65.9-56-170.4-171-2.8113.1H40 E67 E74 K75H40-R71 HydrophobicContact CB-CB 3.85Å; H40-R71 VanDerWaalsContact CG-CB 3.4Å; E67-R71 HydrophobicContact CG-CG 4.07Å; E67-R71 WeakPolarHBondContact O-CB 3.49Å; E67-R71 VanDerWaalsContact O-CG 3.24Å; E67-R71 WeakPolarHBondContact O-CG 3.45Å; E67-R71 PolarHBondContact O-N 3.39Å; R71-E74 WeakPolarHBondContact CD-OE2 3.29Å; R71-E74 IonicContact CZ-OE2 2.83Å; R71-E74 IonicContact NE-OE2 2.85Å; R71-E74 IonicContact NH1-OE1 3.67Å; R71-E74 IonicContact NH1-OE2 3.9Å; R71-E74 PolarHBondContact NH1-OE2 2.96Å; R71-K75 WeakPolarHBondContact O-CG 3.38Å; R71-K75 PolarHBondContact O-N 3.39Å; R71-K75 VanDerWaalsContact O-N 3.07Å
72A98Very high96.8Very high0 Ų054 Ų540%026%0.26CS..Hα-helixtrans-68.3-37.1175.700000112.2F26 S38 H40 C68 I69 E70 K75 L76F26-A72 HydrophobicContact CD1-CB 3.61Å; F26-A72 HydrophobicContact CE1-CB 4.3Å; S38-A72 PolarHBondContact OG-O 2.74Å; H40-A72 HydrophobicContact CB-CB 4.41Å; C68-A72 VanDerWaalsContact O-CB 3.23Å; C68-A72 WeakPolarHBondContact O-CB 3.4Å; C68-A72 PolarHBondContact O-N 3.49Å; I69-A72 PolarHBondContact O-N 2.94Å; E70-A72 PolarHBondContact O-N 3.17Å; A72-K75 PolarHBondContact O-N 3.44Å; A72-L76 WeakPolarHBondContact O-CG 3.33Å; A72-L76 PolarHBondContact O-N 3.34Å
73C97.6Very high96.6Very high5 Ų553.9 Ų53.93%0.03426%0.26CS..Hα-helixtrans-69.2-37.7175.5-67.10000112.1I69 E70 L76 T77 V83 A249I69-C73 WeakPolarHBondContact O-CB 3.31Å; I69-C73 PolarHBondContact O-N 2.95Å; I69-C73 PolarHBondContact O-SG 3.44Å; E70-C73 PolarHBondContact O-N 3.1Å; E70-C73 VanDerWaalsContact O-N 3.15Å; C73-L76 PolarHBondContact O-N 2.98Å; C73-T77 PolarHBondContact O-N 2.8Å; C73-T77 PolarHBondContact O-OG1 2.53Å; C73-V83 HydrophobicContact CB-CG1 4.3Å; C73-V83 HydrophobicContact CB-CG2 4Å; C73-A249 HydrophobicContact CB-CB 4.06Å
74E97.4Very high96.4Very high85 Ų8551.4 Ų51.440%0.39726%0.256SS..Hα-helixtrans-58.2-47.6171-73.5176.1170.300110.9E70 R71 L76 T77 Q78E70-E74 WeakPolarHBondContact O-CG 3.28Å; E70-E74 PolarHBondContact O-N 3.06Å; R71-E74 WeakPolarHBondContact CD-OE2 3.29Å; R71-E74 IonicContact CZ-OE2 2.83Å; R71-E74 IonicContact NE-OE2 2.85Å; R71-E74 IonicContact NH1-OE1 3.67Å; R71-E74 IonicContact NH1-OE2 3.9Å; R71-E74 PolarHBondContact NH1-OE2 2.96Å; E74-L76 PolarHBondContact O-N 3.45Å; E74-T77 WeakPolarHBondContact O-CB 3.48Å; E74-T77 PolarHBondContact O-N 2.76Å; E74-Q78 WeakPolarHBondContact O-CG 3.27Å; E74-Q78 PolarHBondContact O-N 3.31Å
75K97.4Very high96.3Very high77 Ų7752.3 Ų52.334%0.33526%0.26SS..Hα-helixtrans-60.3-41.4176.2-73176.1-177-1730112.6S38 H39 R71 A72 T77 Q78 L79S38-K75 WeakPolarHBondContact OG-CB 3.33Å; H39-K75 WeakPolarHBondContact O-CD 3.42Å; H39-K75 PolarHBondContact O-NZ 3.26Å; R71-K75 WeakPolarHBondContact O-CG 3.38Å; R71-K75 PolarHBondContact O-N 3.39Å; R71-K75 VanDerWaalsContact O-N 3.07Å; A72-K75 PolarHBondContact O-N 3.44Å; K75-T77 VanDerWaalsContact C-N 3.31Å; K75-T77 PolarHBondContact O-N 3.21Å; K75-Q78 WeakPolarHBondContact O-CB 3.42Å; K75-Q78 PolarHBondContact O-N 3.01Å; K75-L79 WeakPolarHBondContact O-CG 3.44Å; K75-L79 PolarHBondContact O-N 3.39Å
76L95.3Very high96.3Very high0 Ų052.2 Ų52.20%026%0.26CS..Hα-helixtrans-60.2-43.2174.5-73.9173.9000111.9V28 L37 A72 C73 E74 Q78 L79 N80 I81 V83 I86V28-L76 HydrophobicContact CB-CD1 4.24Å; V28-L76 HydrophobicContact CG1-CD1 4.03Å; V28-L76 HydrophobicContact CG2-CD1 4.04Å; L37-L76 HydrophobicContact CB-CD2 4.22Å; A72-L76 WeakPolarHBondContact O-CG 3.33Å; A72-L76 PolarHBondContact O-N 3.34Å; C73-L76 PolarHBondContact O-N 2.98Å; E74-L76 PolarHBondContact O-N 3.45Å; L76-Q78 VanDerWaalsContact C-N 3.31Å; L76-Q78 PolarHBondContact O-N 2.94Å; L76-L79 CarbonylContact O-C 3.59Å; L76-L79 WeakPolarHBondContact O-CA 3.35Å; L76-L79 PolarHBondContact O-N 3.32Å; L76-L79 VanDerWaalsContact O-N 3.1Å; L76-N80 PolarHBondContact O-N 2.98Å; L76-I81 CarbonylContact C-O 3.59Å; L76-I81 HydrophobicContact CB-CB 4.37Å; L76-I81 HydrophobicContact CD2-CB 4.19Å; L76-I81 HydrophobicContact CD2-CD1 4.05Å; L76-I81 HydrophobicContact CD2-CG2 4.13Å; L76-I81 PolarHBondContact O-N 3.03Å; L76-V83 HydrophobicContact CB-CG2 4.47Å; L76-I86 HydrophobicContact CD1-CD1 3.88Å
77T94.7Very high96.3Very high88 Ų8853.7 Ų53.754%0.5427%0.267SS..Hα-helixtrans-62.9-40.2178.1-54.70000111.1C73 E74 K75 L79 N80C73-T77 PolarHBondContact O-N 2.8Å; C73-T77 PolarHBondContact O-OG1 2.53Å; E74-T77 WeakPolarHBondContact O-CB 3.48Å; E74-T77 PolarHBondContact O-N 2.76Å; K75-T77 VanDerWaalsContact C-N 3.31Å; K75-T77 PolarHBondContact O-N 3.21Å; T77-L79 VanDerWaalsContact C-N 3.26Å; T77-L79 PolarHBondContact O-N 2.91Å; T77-N80 PolarHBondContact O-N 2.88Å
78Q95.3Very high96.3Very high146 Ų14650.3 Ų50.368%0.68225%0.252SS*.Hα-helixtrans-63.2-31.4174.3-68.4168.24.800112.7E74 K75 L76 N80E74-Q78 WeakPolarHBondContact O-CG 3.27Å; E74-Q78 PolarHBondContact O-N 3.31Å; K75-Q78 WeakPolarHBondContact O-CB 3.42Å; K75-Q78 PolarHBondContact O-N 3.01Å; L76-Q78 VanDerWaalsContact C-N 3.31Å; L76-Q78 PolarHBondContact O-N 2.94Å; Q78-N80 PolarHBondContact O-N 3.04Å
79L93.2Very high96.3Very high93 Ų9350.3 Ų50.349%0.48725%0.252SS..THydrogen-bonded Turntrans-80.45.6173.2-64.7173.8000113.5K75 L76 T77 I81K75-L79 WeakPolarHBondContact O-CG 3.44Å; K75-L79 PolarHBondContact O-N 3.39Å; L76-L79 CarbonylContact O-C 3.59Å; L76-L79 WeakPolarHBondContact O-CA 3.35Å; L76-L79 PolarHBondContact O-N 3.32Å; L76-L79 VanDerWaalsContact O-N 3.1Å; T77-L79 VanDerWaalsContact C-N 3.26Å; T77-L79 PolarHBondContact O-N 2.91Å; L79-I81 HydrophobicContact CB-CD1 4.04Å; L79-I81 HydrophobicContact CB-CG1 4.14Å; L79-I81 HydrophobicContact CD1-CD1 4.43Å; L79-I81 PolarHBondContact O-N 3.07Å
80N93.1Very high96.3Very high92 Ų9250 Ų5049%0.49225%0.25SC..THydrogen-bonded Turntrans58.628.9-173.8-58.6-70.8000114.1L76 T77 Q78L76-N80 PolarHBondContact O-N 2.98Å; T77-N80 PolarHBondContact O-N 2.88Å; Q78-N80 PolarHBondContact O-N 3.04Å
81I93.9Very high96.3Very high10 Ų1045.4 Ų45.45%0.05123%0.229CC..  trans-98.3130.3174.4-58.5172.5000108.8L10 L13 L37 L76 L79 V83L10-I81 HydrophobicContact CD1-CD1 3.9Å; L10-I81 HydrophobicContact CD1-CG1 4.05Å; L13-I81 HydrophobicContact CD1-CG2 3.72Å; L37-I81 HydrophobicContact CD1-CD1 4.36Å; L76-I81 CarbonylContact C-O 3.59Å; L76-I81 HydrophobicContact CB-CB 4.37Å; L76-I81 HydrophobicContact CD2-CB 4.19Å; L76-I81 HydrophobicContact CD2-CD1 4.05Å; L76-I81 HydrophobicContact CD2-CG2 4.13Å; L76-I81 PolarHBondContact O-N 3.03Å; L79-I81 HydrophobicContact CB-CD1 4.04Å; L79-I81 HydrophobicContact CB-CG1 4.14Å; L79-I81 HydrophobicContact CD1-CD1 4.43Å; L79-I81 PolarHBondContact O-N 3.07Å; I81-V83 PolarHBondContact O-N 3.43Å
82D93.3Very high96.4Very high48 Ų4840.3 Ų40.326%0.25721%0.209SC..  trans-75.5120.5-178.4-162.1-38.5000111.2R7 S84 N85R7-D82 IonicContact CZ-OD2 3.49Å; R7-D82 IonicContact NH1-OD2 2.81Å; R7-D82 PolarHBondContact NH1-OD2 2.97Å; D82-S84 PolarHBondContact O-N 3.44Å; D82-S84 VanDerWaalsContact OD1-CB 3.29Å; D82-S84 WeakPolarHBondContact OD1-CB 3.46Å; D82-S84 PolarHBondContact OD1-N 3.29Å; D82-S84 PolarHBondContact OD1-OG 3.43Å; D82-N85 VanDerWaalsContact O-CB 3.26Å; D82-N85 WeakPolarHBondContact O-CB 3.43Å; D82-N85 PolarHBondContact O-N 2.87Å
83V94.5Very high96.4Very high26 Ų2640.3 Ų40.316%0.15821%0.209CC..G310 helixtrans-59.1-28.7178.4177.30000111.6C73 L76 I81 N85 I86 L250C73-V83 HydrophobicContact CB-CG1 4.3Å; C73-V83 HydrophobicContact CB-CG2 4Å; L76-V83 HydrophobicContact CB-CG2 4.47Å; I81-V83 PolarHBondContact O-N 3.43Å; V83-N85 PolarHBondContact O-N 3.48Å; V83-N85 VanDerWaalsContact O-N 3.08Å; V83-I86 HydrophobicContact CG1-CD1 4.33Å; V83-I86 WeakPolarHBondContact O-CB 3.3Å; V83-I86 PolarHBondContact O-N 3.49Å; V83-L250 HydrophobicContact CG1-CD2 3.61Å
84S94.1Very high96.3Very high66 Ų6640 Ų4046%0.46221%0.208SC..G310 helixtrans-65.4-10.617670.10000113.7D82 I86 K87D82-S84 PolarHBondContact O-N 3.44Å; D82-S84 VanDerWaalsContact OD1-CB 3.29Å; D82-S84 WeakPolarHBondContact OD1-CB 3.46Å; D82-S84 PolarHBondContact OD1-N 3.29Å; D82-S84 PolarHBondContact OD1-OG 3.43Å; S84-I86 VanDerWaalsContact C-N 3.26Å; S84-K87 PolarHBondContact O-NZ 3.45Å
85N95.8Very high96.3Very high23 Ų2336.1 Ų36.112%0.12319%0.189CC..G310 helixtrans-74-15.4171.1-70.1-15.2000113L10 L13 D82 V83 K87L10-N85 PolarHBondContact O-ND2 2.94Å; L13-N85 HydrophobicContact CD1-CB 3.94Å; L13-N85 HydrophobicContact CG-CB 3.89Å; L13-N85 PolarHBondContact N-O 2.89Å; D82-N85 VanDerWaalsContact O-CB 3.26Å; D82-N85 WeakPolarHBondContact O-CB 3.43Å; D82-N85 PolarHBondContact O-N 2.87Å; V83-N85 PolarHBondContact O-N 3.48Å; V83-N85 VanDerWaalsContact O-N 3.08Å; N85-K87 WeakPolarHBondContact O-CG 3.29Å; N85-K87 PolarHBondContact O-N 3.48Å
86I97.8Very high96.3Very high0 Ų032.5 Ų32.50%017%0.174CC..EExtended strand (participates in β ladder)trans-69.8113.5169.7-60.9172.9000108.3L13 V28 L76 V83 S84 A88 L250 I253L13-I86 HydrophobicContact CB-CG1 4.06Å; L13-I86 HydrophobicContact CD1-CG1 4.5Å; L13-I86 CarbonylContact O-C 3.45Å; L13-I86 WeakPolarHBondContact O-CA 3.37Å; V28-I86 HydrophobicContact CG1-CD1 4.02Å; V28-I86 HydrophobicContact CG1-CG1 3.96Å; V28-I86 HydrophobicContact CG2-CD1 3.96Å; L76-I86 HydrophobicContact CD1-CD1 3.88Å; V83-I86 HydrophobicContact CG1-CD1 4.33Å; V83-I86 WeakPolarHBondContact O-CB 3.3Å; V83-I86 PolarHBondContact O-N 3.49Å; S84-I86 VanDerWaalsContact C-N 3.26Å; I86-A88 WeakPolarHBondContact CG2-O 3.46Å; I86-L250 HydrophobicContact CB-CD2 4.38Å; I86-L250 HydrophobicContact CD1-CD2 3.81Å; I86-L250 HydrophobicContact CG2-CD2 4.41Å; I86-I253 HydrophobicContact CG2-CG2 4.27Å; I86-I253 VanDerWaalsContact O-CD1 3.23Å; I86-I253 WeakPolarHBondContact O-CD1 3.33Å
87K98.3Very high96.5Very high87 Ų8732.5 Ų32.538%0.37817%0.174SC..EExtended strand (participates in β ladder)trans-100.7-14.8-175.7-58-48.5-177.8-1730113.9P12 L13 S84 N85 P254 V473P12-K87 HydrophobicContact CB-CG 3.93Å; L13-K87 PolarHBondContact O-N 3Å; S84-K87 PolarHBondContact O-NZ 3.45Å; N85-K87 WeakPolarHBondContact O-CG 3.29Å; N85-K87 PolarHBondContact O-N 3.48Å; K87-P254 WeakPolarHBondContact O-CD 3.03Å; K87-P254 VanDerWaalsContact O-CG 3.29Å; K87-P254 WeakPolarHBondContact O-CG 3.27Å; K87-V473 HydrophobicContact CB-CG1 4Å; K87-V473 HydrophobicContact CB-CG2 4.46Å; K87-V473 HydrophobicContact CG-CG1 4.11Å
88A98.6Very high96.7Very high0 Ų028.3 Ų28.30%015%0.148CC..EExtended strand (participates in β ladder)trans-158.2158.6-17900000111.2V14 G15 I86 P254 S256 A465 V471V14-A88 HydrophobicContact CG1-CB 4.1Å; V14-A88 WeakPolarHBondContact CG1-O 3.42Å; G15-A88 PolarHBondContact N-O 2.8Å; I86-A88 WeakPolarHBondContact CG2-O 3.46Å; A88-P254 WeakPolarHBondContact CA-O 3.17Å; A88-S256 VanDerWaalsContact CB-OG 3.23Å; A88-S256 WeakPolarHBondContact CB-OG 3.4Å; A88-A465 HydrophobicContact CB-CB 4.11Å; A88-V471 HydrophobicContact CB-CG1 3.73Å; A88-V471 HydrophobicContact CB-CG2 4.28Å
89V98.9Very high96.8Very high0 Ų021.4 Ų21.40%012%0.115CC..EExtended strand (participates in β ladder)trans-124131169.2175.10000110G15 I17 F26 L245 L250 I253 P254 I255 S256G15-V89 CarbonylContact O-C 3.57Å; G15-V89 VanDerWaalsContact O-CA 3.28Å; G15-V89 WeakPolarHBondContact O-CA 3.21Å; I17-V89 HydrophobicContact CD1-CG1 3.92Å; I17-V89 HydrophobicContact CG1-CG1 4.04Å; F26-V89 HydrophobicContact CE2-CG1 4.09Å; F26-V89 HydrophobicContact CE2-CG2 4.28Å; F26-V89 HydrophobicContact CZ-CG2 4.34Å; V89-L245 HydrophobicContact CB-CD1 4.16Å; V89-L245 HydrophobicContact CG2-CD1 3.75Å; V89-L250 HydrophobicContact CG2-CD1 3.9Å; V89-I253 HydrophobicContact CG2-CG2 4.08Å; V89-P254 PolarHBondContact N-O 3.08Å; V89-I255 WeakPolarHBondContact O-CA 3.31Å; V89-S256 PolarHBondContact O-N 3.13Å
90G98.8Very high97.1Very high0 Ų017 Ų170%09%0.093CC..EExtended strand (participates in β ladder)trans-95.4149.8166.800000111.7G15 A16 I17 G257G15-G90 PolarHBondContact O-N 3.1Å; A16-G90 CarbonylContact C-O 3.58Å; A16-G90 WeakPolarHBondContact CA-O 3.39Å; I17-G90 PolarHBondContact N-O 3.4Å; G90-G257 CarbonylContact C-O 3.58Å; G90-G257 WeakPolarHBondContact CA-O 3.49Å
91V98.9Very high97.4Very high0 Ų012.7 Ų12.70%07%0.069CC..EExtended strand (participates in β ladder)trans-116.5130172.5179.60000108.6I17 D181 L184 I185 I255 G257 C258 L259I17-V91 HydrophobicContact CD1-CG2 4.22Å; V91-D181 HydrophobicContact CG1-CB 4.36Å; V91-L184 HydrophobicContact CG1-CD1 4.16Å; V91-I185 HydrophobicContact CG2-CG1 4.44Å; V91-I255 HydrophobicContact CG2-CG2 3.84Å; V91-G257 PolarHBondContact N-O 2.97Å; V91-C258 VanDerWaalsContact O-CA 3.25Å; V91-C258 WeakPolarHBondContact O-CA 3.38Å; V91-L259 PolarHBondContact O-N 3.01Å; V91-L259 VanDerWaalsContact O-N 3.1Å
92T98.8Very high97.6Very high0 Ų012.6 Ų12.60%07%0.069CC..EExtended strand (participates in β ladder)trans-134.3150.3165.9176.20000109.8I17 D18 Q19 L259 D261 A264 T457 A461I17-T92 WeakPolarHBondContact O-CG2 3.41Å; I17-T92 PolarHBondContact O-N 3.17Å; D18-T92 HydrophobicContact CB-CG2 3.89Å; Q19-T92 PolarHBondContact N-O 2.99Å; T92-L259 WeakPolarHBondContact CA-O 3.42Å; T92-L259 WeakPolarHBondContact CB-O 3.21Å; T92-L259 PolarHBondContact OG1-O 3.28Å; T92-D261 WeakPolarHBondContact OG1-CA 3.5Å; T92-D261 PolarHBondContact OG1-N 3.46Å; T92-A264 HydrophobicContact CG2-CB 4.42Å; T92-A264 WeakPolarHBondContact OG1-CB 3.27Å; T92-T457 HydrophobicContact CG2-CG2 3.8Å; T92-A461 HydrophobicContact CG2-CB 3.72Å
93N98.6Very high97.8Very high0 Ų014.1 Ų14.10%07%0.073CC..EExtended strand (participates in β ladder)trans-152.5155.1-166.661.7-72.6000112.2Q19 R95 I180 D181 N203 D261Q19-N93 HydrophobicContact CB-CB 4.27Å; Q19-N93 CarbonylContact O-C 3.32Å; Q19-N93 WeakPolarHBondContact O-CA 3.48Å; N93-R95 PolarHBondContact O-N 2.82Å; N93-I180 HydrophobicContact CB-CB 3.91Å; N93-I180 HydrophobicContact CB-CG2 3.88Å; N93-D181 WeakPolarHBondContact OD1-CB 3.47Å; N93-N203 PolarHBondContact ND2-OD1 2.69Å; N93-N203 PolarHBondContact OD1-ND2 3.28Å; N93-N203 VanDerWaalsContact OD1-ND2 3.08Å; N93-N203 PolarHBondContact OD1-OD1 3.04Å; N93-D261 VanDerWaalsContact O-CB 3.29Å; N93-D261 WeakPolarHBondContact O-CB 3.37Å; N93-D261 PolarHBondContact O-N 3.49Å
94Q95.8Very high98Very high0 Ų018.1 Ų18.10%09%0.093CC..  trans-53.6127.5161.667.3-178.3-46.800109.1Q19 T21 E56 T97 I180Q19-Q94 PolarHBondContact O-N 2.75Å; T21-Q94 WeakPolarHBondContact OG1-CB 3.29Å; T21-Q94 PolarHBondContact OG1-OE1 2.61Å; E56-Q94 PolarHBondContact OE2-NE2 3.38Å; Q94-T97 PolarHBondContact OE1-OG1 3.49Å; Q94-I180 HydrophobicContact CG-CG1 4.1Å
95R97.4Very high98.1Very high3 Ų317.9 Ų17.91%0.0119%0.089CC..SBendtrans-79168.8-177.6-66.5171.8-57.3145.317.9110.4N93 T97 W115 R206 D261 Q262 E321N93-R95 PolarHBondContact O-N 2.82Å; R95-T97 PolarHBondContact O-N 3.03Å; R95-W115 WeakPolarHBondContact O-CB 3.44Å; R95-R206 HydrophobicContact CB-CG 4.2Å; R95-R206 HydrophobicContact CG-CG 4.39Å; R95-D261 WeakPolarHBondContact CD-OD1 3.11Å; R95-D261 WeakPolarHBondContact CG-OD1 3.4Å; R95-D261 IonicContact CZ-OD1 3.6Å; R95-D261 IonicContact NE-OD1 2.77Å; R95-D261 PolarHBondContact NE-OD1 2.87Å; R95-Q262 VanDerWaalsContact CZ-CG 3.44Å; R95-E321 IonicContact CZ-OE1 3.24Å; R95-E321 IonicContact CZ-OE2 3.94Å; R95-E321 IonicContact NH1-OE1 2.71Å; R95-E321 PolarHBondContact NH1-OE1 3.31Å; R95-E321 IonicContact NH1-OE2 2.64Å; R95-E321 PolarHBondContact NH1-OE2 2.88Å; R95-E321 IonicContact NH2-OE1 3.21Å; R95-E321 PolarHBondContact NH2-OE1 3.35Å; R95-E321 IonicContact NH2-OE2 3.67Å
96E97.9Very high98.2Very high1 Ų117.5 Ų17.51%0.0059%0.09CC..SBendtrans62.6-33.7177.7-62.881.5-162.500117.6T98 W115 Y150 F151 S152 R206E96-T98 PolarHBondContact O-N 3.33Å; E96-T98 PolarHBondContact O-OG1 3.45Å; E96-W115 HydrophobicContact CB-CB 3.87Å; E96-Y150 HydrophobicContact CB-CD2 4.28Å; E96-Y150 HydrophobicContact CB-CE2 4.26Å; E96-Y150 VanDerWaalsContact CB-O 3.23Å; E96-Y150 WeakPolarHBondContact CB-O 3.49Å; E96-Y150 VanDerWaalsContact CD-CE2 3.45Å; E96-Y150 HydrophobicContact CG-CD2 3.94Å; E96-Y150 HydrophobicContact CG-CE2 3.86Å; E96-Y150 WeakPolarHBondContact CG-O 3.39Å; E96-Y150 WeakPolarHBondContact OE2-CE2 3.3Å; E96-Y150 PolarHBondContact OE2-OH 2.86Å; E96-F151 HydrophobicContact CG-CD1 3.9Å; E96-S152 WeakPolarHBondContact CA-OG 3.11Å; E96-S152 PolarHBondContact O-OG 2.9Å; E96-R206 HydrophobicContact CG-CB 3.99Å; E96-R206 VanDerWaalsContact OE1-CB 3.25Å; E96-R206 WeakPolarHBondContact OE1-CB 3.49Å; E96-R206 WeakPolarHBondContact OE1-CG 3.42Å; E96-R206 IonicContact OE1-CZ 3.79Å; E96-R206 VanDerWaalsContact OE1-CZ 3.31Å; E96-R206 IonicContact OE1-NE 2.85Å; E96-R206 PolarHBondContact OE1-NE 3.12Å; E96-R206 IonicContact OE1-NH2 3.94Å; E96-R206 PolarHBondContact OE1-NH2 3.3Å
97T98.5Very high98.2Very high0 Ų021.5 Ų21.50%011%0.109CC..  trans-49.5126.7179.2-67.10000110.4Q94 R95 A112 I113 V114 W115 T179 I180Q94-T97 PolarHBondContact OE1-OG1 3.49Å; R95-T97 PolarHBondContact O-N 3.03Å; T97-A112 HydrophobicContact CG2-CB 3.85Å; T97-I113 WeakPolarHBondContact CA-O 3.25Å; T97-V114 WeakPolarHBondContact OG1-CA 3.46Å; T97-W115 PolarHBondContact OG1-N 3.49Å; T97-W115 VanDerWaalsContact OG1-N 3.12Å; T97-T179 WeakPolarHBondContact O-CA 3.25Å; T97-I180 HydrophobicContact CG2-CD1 3.76Å; T97-I180 HydrophobicContact CG2-CG1 3.84Å
98T98.9Very high98.3Very high0 Ų018.6 Ų18.60%010%0.099CC..EExtended strand (participates in β ladder)trans-112.8126.9-162.5-70.20000111.6E96 A112 I113 S152 K155 L156 L159 F177E96-T98 PolarHBondContact O-N 3.33Å; E96-T98 PolarHBondContact O-OG1 3.45Å; T98-A112 WeakPolarHBondContact O-CA 3.46Å; T98-I113 PolarHBondContact N-O 2.74Å; T98-I113 PolarHBondContact O-N 3.03Å; T98-I113 VanDerWaalsContact O-N 3.07Å; T98-S152 WeakPolarHBondContact OG1-CA 3.29Å; T98-S152 VanDerWaalsContact OG1-CB 3.27Å; T98-S152 WeakPolarHBondContact OG1-CB 3.29Å; T98-K155 HydrophobicContact CG2-CB 4.24Å; T98-L156 HydrophobicContact CG2-CB 4.4Å; T98-L159 HydrophobicContact CG2-CD1 4.02Å; T98-F177 HydrophobicContact CG2-CD2 3.95Å; T98-F177 HydrophobicContact CG2-CE2 3.61Å
99V98.9Very high98.3Very high0 Ų020.2 Ų20.20%011%0.108CC..EExtended strand (participates in β ladder)trans-120.5139.8175.7-1690000110P58 W101 A112 G178 I180 W183P58-V99 HydrophobicContact CB-CG1 4.05Å; P58-V99 HydrophobicContact CG-CG1 3.92Å; V99-W101 HydrophobicContact CB-CE3 4.37Å; V99-W101 HydrophobicContact CB-CZ3 4.49Å; V99-W101 HydrophobicContact CG1-CE3 4.06Å; V99-A112 HydrophobicContact CG2-CB 3.85Å; V99-G178 PolarHBondContact N-O 3.25Å; V99-G178 PolarHBondContact O-N 2.99Å; V99-I180 HydrophobicContact CG2-CD1 3.8Å; V99-W183 HydrophobicContact CG1-CD2 4.36Å; V99-W183 HydrophobicContact CG1-CE3 4.44Å; V99-W183 HydrophobicContact CG1-CG 4.45Å; V99-W183 HydrophobicContact CG2-CB 4.44Å
100V98.9Very high98.2Very high2 Ų223.3 Ų23.31%0.01212%0.12CC..EExtended strand (participates in β ladder)trans-128128.7169.9-1750000108.5L109 L156 L159 V166 A175 M176 F177V100-L109 HydrophobicContact CG1-CD1 4.19Å; V100-L109 PolarHBondContact O-N 3.07Å; V100-L156 HydrophobicContact CG2-CD1 3.61Å; V100-L159 HydrophobicContact CB-CD1 4.46Å; V100-L159 HydrophobicContact CG2-CD1 3.68Å; V100-V166 HydrophobicContact CB-CG2 4.37Å; V100-V166 HydrophobicContact CG1-CG1 4.11Å; V100-V166 HydrophobicContact CG1-CG2 4.2Å; V100-A175 HydrophobicContact CG1-CB 4.37Å; V100-M176 VanDerWaalsContact CA-O 3.3Å; V100-M176 WeakPolarHBondContact CA-O 3.17Å; V100-M176 WeakPolarHBondContact CG1-O 3.24Å; V100-F177 HydrophobicContact CG2-CD2 4.39Å
101W98.8Very high98.2Very high0 Ų025.5 Ų25.50%013%0.132CC..EExtended strand (participates in β ladder)trans-136.2164-177.86998.7000111.4V99 E107 A175 M176 W183 W186 H197V99-W101 HydrophobicContact CB-CE3 4.37Å; V99-W101 HydrophobicContact CB-CZ3 4.49Å; V99-W101 HydrophobicContact CG1-CE3 4.06Å; W101-E107 WeakPolarHBondContact CA-O 3.44Å; W101-E107 WeakPolarHBondContact CB-O 3.36Å; W101-A175 CarbonylContact O-C 3.39Å; W101-A175 WeakPolarHBondContact O-CA 3.13Å; W101-M176 HydrophobicContact CD2-CB 3.83Å; W101-M176 HydrophobicContact CE3-CB 4.36Å; W101-M176 HydrophobicContact CG-CB 4.32Å; W101-M176 HydrophobicContact CH2-CB 4.12Å; W101-M176 HydrophobicContact CZ2-CB 3.54Å; W101-M176 HydrophobicContact CZ2-CG 4.32Å; W101-M176 HydrophobicContact CZ2-SD 3.94Å; W101-M176 PolarHBondContact N-O 3.3Å; W101-M176 PolarHBondContact NE1-SD 3.01Å; W101-M176 PolarHBondContact O-N 3.38Å; W101-W183 HydrophobicContact CB-CE3 4.39Å; W101-W183 HydrophobicContact CB-CZ3 3.83Å; W101-W183 AromaticContact CD1-CZ3 3.94Å; W101-W183 AromaticContact CD2-CE3 3.71Å; W101-W183 HydrophobicContact CD2-CE3 3.71Å; W101-W183 AromaticContact CD2-CZ3 3.9Å; W101-W183 HydrophobicContact CD2-CZ3 3.9Å; W101-W183 AromaticContact CE3-CE3 3.84Å; W101-W183 HydrophobicContact CE3-CE3 3.84Å; W101-W183 HydrophobicContact CE3-CZ3 4.41Å; W101-W183 AromaticContact CG-CE3 3.97Å; W101-W183 HydrophobicContact CG-CE3 3.97Å; W101-W183 AromaticContact CG-CZ3 3.63Å; W101-W183 HydrophobicContact CG-CZ3 3.63Å; W101-W183 HydrophobicContact CZ3-CB 4.44Å; W101-W183 HydrophobicContact CZ3-CE3 4.35Å; W101-W186 HydrophobicContact CZ2-CB 4.06Å; W101-W186 HydrophobicContact CZ2-CD2 4.21Å; W101-W186 AromaticContact CZ2-CG 3.9Å; W101-W186 HydrophobicContact CZ2-CG 3.9Å; W101-W186 AromaticContact NE1-CD2 3.4Å; W101-W186 AromaticContact NE1-CE2 3.45Å; W101-W186 AromaticContact NE1-CE3 3.61Å; W101-W186 AromaticContact NE1-CG 3.96Å; W101-W186 AromaticContact NE1-CZ2 3.74Å; W101-W186 AromaticContact NE1-CZ3 3.92Å; W101-W186 AromaticContact NE1-NE1 3.98Å; W101-H197 AromaticContact CH2-CD2 3.77Å; W101-H197 AromaticContact CH2-NE2 3.78Å; W101-H197 AromaticContact CZ2-CD2 3.65Å; W101-H197 AromaticContact CZ2-NE2 3.93Å
102D98.6Very high98.2Very high8 Ų825.5 Ų25.54%0.04313%0.132CC..EExtended strand (participates in β ladder)trans-91.8123.3174.2175.5-8.7000110.2L104 T105 G106 E107 L109 R174D102-L104 VanDerWaalsContact C-N 3.26Å; D102-L104 PolarHBondContact O-N 3.28Å; D102-L104 WeakPolarHBondContact OD1-CB 3.22Å; D102-L104 PolarHBondContact OD1-N 2.79Å; D102-T105 WeakPolarHBondContact CB-OG1 3.47Å; D102-T105 PolarHBondContact OD1-N 3.19Å; D102-T105 WeakPolarHBondContact OD2-CG2 3.37Å; D102-T105 PolarHBondContact OD2-OG1 3.06Å; D102-G106 WeakPolarHBondContact O-CA 3.29Å; D102-G106 PolarHBondContact O-N 2.87Å; D102-E107 PolarHBondContact N-O 3.38Å; D102-L109 HydrophobicContact CB-CD1 4.35Å; D102-L109 HydrophobicContact CB-CD2 4.09Å; D102-L109 HydrophobicContact CB-CG 4.33Å; D102-R174 VanDerWaalsContact CG-NH1 3.33Å; D102-R174 IonicContact OD1-NH1 3.87Å; D102-R174 IonicContact OD2-CZ 3.84Å; D102-R174 IonicContact OD2-NH1 3.72Å; D102-R174 PolarHBondContact OD2-NH1 2.66Å
103K97.8Very high98.2Very high80 Ų8025.5 Ų25.535%0.34813%0.132SC..THydrogen-bonded Turntrans-67.5-22.1-179.176.1-171.1177.9-172.40114.5H173 R174 M176K103-H173 WeakPolarHBondContact CE-O 3.23Å; K103-H173 PolarHBondContact NZ-O 2.79Å; K103-R174 WeakPolarHBondContact CG-O 3.48Å; K103-R174 PolarHBondContact N-O 2.88Å; K103-M176 HydrophobicContact CB-CE 3.54Å; K103-M176 HydrophobicContact CB-CG 3.93Å; K103-M176 HydrophobicContact CB-SD 3.56Å; K103-M176 VanDerWaalsContact CB-SD 3.56Å; K103-M176 HydrophobicContact CD-CE 3.93Å; K103-M176 HydrophobicContact CG-CE 4.37Å
104L97.5Very high98.1Very high110 Ų11025.5 Ų25.558%0.57613%0.132SC*.THydrogen-bonded Turntrans-85.4-45.6-179.6-58.1-171.5000111.7D102 R174D102-L104 VanDerWaalsContact C-N 3.26Å; D102-L104 PolarHBondContact O-N 3.28Å; D102-L104 WeakPolarHBondContact OD1-CB 3.22Å; D102-L104 PolarHBondContact OD1-N 2.79Å; L104-R174 VanDerWaalsContact CD1-CD 3.42Å; L104-R174 HydrophobicContact CD1-CG 3.72Å; L104-R174 HydrophobicContact CG-CG 4.04Å
105T97.6Very high97.8Very high62 Ų6228.6 Ų28.638%0.3814%0.143SC..THydrogen-bonded Turntrans-83.9-30.6-179.9640000111.7D102 E107 K192D102-T105 WeakPolarHBondContact CB-OG1 3.47Å; D102-T105 PolarHBondContact OD1-N 3.19Å; D102-T105 WeakPolarHBondContact OD2-CG2 3.37Å; D102-T105 PolarHBondContact OD2-OG1 3.06Å; T105-E107 VanDerWaalsContact C-N 3.26Å; T105-E107 WeakPolarHBondContact OG1-CB 3.33Å; T105-E107 PolarHBondContact OG1-N 2.84Å; T105-K192 VanDerWaalsContact O-CD 3.25Å; T105-K192 WeakPolarHBondContact O-CD 3.38Å
106G97.3Very high97.2Very high14 Ų1431.5 Ų31.514%0.14416%0.159CC..  trans77.29.8-170.400000114.6D102 W186D102-G106 WeakPolarHBondContact O-CA 3.29Å; D102-G106 PolarHBondContact O-N 2.87Å; G106-W186 VanDerWaalsContact CA-CH2 3.46Å
107E98.3Very high96.8Very high84 Ų8431.4 Ų31.439%0.39316%0.158SC..  trans-90.8136-175.6-62.4-62.7142.700110.9K59 W101 D102 T105K59-E107 WeakPolarHBondContact CE-OE2 3.29Å; K59-E107 IonicContact NZ-OE2 2.64Å; K59-E107 PolarHBondContact NZ-OE2 3.22Å; W101-E107 WeakPolarHBondContact CA-O 3.44Å; W101-E107 WeakPolarHBondContact CB-O 3.36Å; D102-E107 PolarHBondContact N-O 3.38Å; T105-E107 VanDerWaalsContact C-N 3.26Å; T105-E107 WeakPolarHBondContact OG1-CB 3.33Å; T105-E107 PolarHBondContact OG1-N 2.84Å
108P98.6Very high96.2Very high27 Ų2735.3 Ų35.318%0.17518%0.179CC..BIsolated β-bridgetrans-58.5137.1165.9-19.431.7000110.5P58 K59 W183P58-P108 HydrophobicContact CB-CB 4.16Å; P58-P108 HydrophobicContact CB-CG 3.77Å; P58-P108 HydrophobicContact CG-CB 3.89Å; P58-P108 HydrophobicContact CG-CG 4.04Å; K59-P108 HydrophobicContact CG-CG 4.2Å; P108-W183 HydrophobicContact CG-CH2 3.89Å; P108-W183 HydrophobicContact CG-CZ2 4.06Å
109L98.7Very high96Very high33 Ų3336 Ų3617%0.17318%0.182CC..SBendtrans-90.2-12.7-179.3-65.6170.3000112.5V100 D102 E165 V166 A169V100-L109 HydrophobicContact CG1-CD1 4.19Å; V100-L109 PolarHBondContact O-N 3.07Å; D102-L109 HydrophobicContact CB-CD1 4.35Å; D102-L109 HydrophobicContact CB-CD2 4.09Å; D102-L109 HydrophobicContact CB-CG 4.33Å; L109-E165 HydrophobicContact CD2-CB 4.25Å; L109-V166 HydrophobicContact CB-CG2 3.78Å; L109-V166 HydrophobicContact CD1-CG2 4.45Å; L109-A169 HydrophobicContact CD1-CB 3.37Å
110Y98.7Very high95.8Very high66 Ų6636 Ų3626%0.25918%0.182SC..SBendtrans-160168.7173.4-162.3-105000108.5E55 I113 R119 W158 L159 V163E55-Y110 WeakPolarHBondContact OE1-CE1 3.32Å; E55-Y110 PolarHBondContact OE1-OH 3.48Å; E55-Y110 VanDerWaalsContact OE1-OH 3.11Å; Y110-I113 HydrophobicContact CD1-CG1 4.42Å; Y110-I113 HydrophobicContact CE1-CG1 4.4Å; Y110-R119 PolarHBondContact OH-NH1 3.32Å; Y110-W158 HydrophobicContact CE1-CZ3 4.16Å; Y110-L159 HydrophobicContact CD1-CD2 3.57Å; Y110-L159 HydrophobicContact CE1-CD2 4.3Å; Y110-L159 HydrophobicContact CG-CD2 3.78Å; Y110-V163 HydrophobicContact CD2-CG1 4.07Å; Y110-V163 HydrophobicContact CD2-CG2 3.73Å; Y110-V163 HydrophobicContact CE2-CG2 4.04Å; Y110-V163 HydrophobicContact CG-CG2 4.1Å
111N98.7Very high95.4Very high46 Ų4640.2 Ų40.225%0.24620%0.201CC..  trans-60.9157.3168.6-76.1-16.2000111.5E55 I113E55-N111 HydrophobicContact CB-CB 3.9Å; E55-N111 HydrophobicContact CG-CB 4.15Å; E55-N111 WeakPolarHBondContact OE2-CB 3.22Å; E55-N111 PolarHBondContact OE2-ND2 2.87Å; N111-I113 PolarHBondContact O-N 2.82Å
112A98.7Very high95.1Very high0 Ų043.9 Ų43.90%023%0.226CC..EExtended strand (participates in β ladder)trans-65.8127.7170.300000109.3E55 E56 P58 T97 T98 V99 V114E55-A112 VanDerWaalsContact CA-O 3.25Å; E55-A112 WeakPolarHBondContact CA-O 3.28Å; E56-A112 HydrophobicContact CB-CB 4.38Å; E56-A112 PolarHBondContact N-O 2.82Å; E56-A112 VanDerWaalsContact N-O 3.11Å; E56-A112 WeakPolarHBondContact O-CB 3.34Å; E56-A112 PolarHBondContact O-N 2.85Å; P58-A112 HydrophobicContact CG-CB 4.17Å; T97-A112 HydrophobicContact CG2-CB 3.85Å; T98-A112 WeakPolarHBondContact O-CA 3.46Å; V99-A112 HydrophobicContact CG2-CB 3.85Å; A112-V114 PolarHBondContact O-N 3.41Å
113I98.6Very high94.9Very high0 Ų044.3 Ų44.30%023%0.229CC..EExtended strand (participates in β ladder)trans-86.3113.1172.4-59177.9000107.8T97 T98 Y110 N111 D117 K155 W158 L159T97-I113 WeakPolarHBondContact CA-O 3.25Å; T98-I113 PolarHBondContact N-O 2.74Å; T98-I113 PolarHBondContact O-N 3.03Å; T98-I113 VanDerWaalsContact O-N 3.07Å; Y110-I113 HydrophobicContact CD1-CG1 4.42Å; Y110-I113 HydrophobicContact CE1-CG1 4.4Å; N111-I113 PolarHBondContact O-N 2.82Å; I113-D117 HydrophobicContact CG2-CB 3.73Å; I113-K155 HydrophobicContact CB-CB 4.35Å; I113-K155 HydrophobicContact CB-CD 4.2Å; I113-K155 HydrophobicContact CB-CG 4.4Å; I113-K155 HydrophobicContact CG2-CB 4.25Å; I113-K155 HydrophobicContact CG2-CD 3.81Å; I113-K155 HydrophobicContact CG2-CG 3.85Å; I113-W158 HydrophobicContact CD1-CE3 3.65Å; I113-W158 HydrophobicContact CD1-CZ3 4.02Å; I113-L159 HydrophobicContact CD1-CD1 4.17Å; I113-L159 HydrophobicContact CD1-CD2 3.77Å; I113-L159 HydrophobicContact CD1-CG 3.74Å; I113-L159 HydrophobicContact CG1-CD2 4.49Å
114V95.8Very high94.8Very high0 Ų040.8 Ų40.80%021%0.214CC..  trans-72.9150.5-171.8-177.50000111.1T21 V54 E56 T97 A112 L116 D117 K155T21-V114 HydrophobicContact CG2-CG1 3.95Å; V54-V114 HydrophobicContact CB-CB 4.14Å; V54-V114 HydrophobicContact CG1-CB 3.87Å; V54-V114 HydrophobicContact CG1-CG1 4.2Å; V54-V114 HydrophobicContact CG1-CG2 3.98Å; V54-V114 WeakPolarHBondContact O-CB 3.28Å; V54-V114 PolarHBondContact O-N 3.03Å; E56-V114 HydrophobicContact CB-CG2 4.27Å; E56-V114 HydrophobicContact CG-CG2 3.7Å; T97-V114 WeakPolarHBondContact OG1-CA 3.46Å; A112-V114 PolarHBondContact O-N 3.41Å; V114-L116 HydrophobicContact CG1-CD2 3.93Å; V114-L116 HydrophobicContact CG1-CG 4.05Å; V114-L116 PolarHBondContact O-N 2.88Å; V114-L116 VanDerWaalsContact O-N 3.15Å; V114-D117 WeakPolarHBondContact O-CB 3.37Å; V114-D117 PolarHBondContact O-N 3.14Å; V114-K155 WeakPolarHBondContact O-CE 3.49Å
115W90.2Very high94.5Very high64 Ų6440 Ų4024%0.24221%0.208CC..THydrogen-bonded Turntrans-53.2-35.2-176.467.3-94.8000115.3T21 R95 E96 T97 D117 Y150 K155 F286T21-W115 PolarHBondContact OG1-NE1 3.38Å; R95-W115 WeakPolarHBondContact O-CB 3.44Å; E96-W115 HydrophobicContact CB-CB 3.87Å; T97-W115 PolarHBondContact OG1-N 3.49Å; T97-W115 VanDerWaalsContact OG1-N 3.12Å; W115-D117 VanDerWaalsContact C-N 3.3Å; W115-D117 PolarHBondContact O-N 3.15Å; W115-Y150 HydrophobicContact CB-CD2 3.92Å; W115-Y150 HydrophobicContact CB-CE2 3.71Å; W115-Y150 HydrophobicContact CD2-CD2 4.5Å; W115-Y150 AromaticContact CD2-CE2 3.89Å; W115-Y150 HydrophobicContact CD2-CE2 3.89Å; W115-Y150 AromaticContact CE3-CD2 3.84Å; W115-Y150 HydrophobicContact CE3-CD2 3.84Å; W115-Y150 AromaticContact CE3-CE2 3.39Å; W115-Y150 HydrophobicContact CE3-CE2 3.39Å; W115-Y150 HydrophobicContact CG-CE2 4.06Å; W115-Y150 HydrophobicContact CZ3-CE2 4.29Å; W115-K155 PolarHBondContact O-NZ 3.06Å; W115-K155 VanDerWaalsContact O-NZ 3.16Å; W115-F286 AromaticContact CH2-CZ 4Å; W115-F286 HydrophobicContact CH2-CZ 4Å; W115-F286 HydrophobicContact CZ2-CZ 4.49Å; W115-F286 HydrophobicContact CZ3-CZ 4.35Å
116L84.9Confident94.4Very high64 Ų6441.9 Ų41.934%0.33521%0.212SC..THydrogen-bonded Turntrans-84.13179.766.8106.5000114.6T21 V54 V114T21-L116 HydrophobicContact CG2-CD2 3.96Å; V54-L116 HydrophobicContact CB-CD1 3.95Å; V54-L116 HydrophobicContact CB-CG 4.37Å; V54-L116 HydrophobicContact CG1-CD1 4.02Å; V54-L116 HydrophobicContact CG1-CG 4.33Å; V54-L116 HydrophobicContact CG2-CD1 3.4Å; V54-L116 VanDerWaalsContact CG2-CD1 3.4Å; V54-L116 HydrophobicContact CG2-CG 4.31Å; V114-L116 HydrophobicContact CG1-CD2 3.93Å; V114-L116 HydrophobicContact CG1-CG 4.05Å; V114-L116 PolarHBondContact O-N 2.88Å; V114-L116 VanDerWaalsContact O-N 3.15Å
117D88.6Confident94.3Very high0 Ų042 Ų420%021%0.209CC..  trans-68.6133.5176.6-174.1-69.1000112.2W53 V54 I113 V114 W115 R119W53-D117 VanDerWaalsContact CA-OD2 3.26Å; W53-D117 WeakPolarHBondContact CA-OD2 3.28Å; V54-D117 HydrophobicContact CB-CB 4.44Å; V54-D117 PolarHBondContact N-OD2 3.01Å; I113-D117 HydrophobicContact CG2-CB 3.73Å; V114-D117 WeakPolarHBondContact O-CB 3.37Å; V114-D117 PolarHBondContact O-N 3.14Å; W115-D117 VanDerWaalsContact C-N 3.3Å; W115-D117 PolarHBondContact O-N 3.15Å; D117-R119 VanDerWaalsContact CG-NE 3.31Å; D117-R119 WeakPolarHBondContact OD1-CA 3.47Å; D117-R119 WeakPolarHBondContact OD1-CB 3.45Å; D117-R119 WeakPolarHBondContact OD1-CG 3.4Å; D117-R119 PolarHBondContact OD1-N 3.17Å; D117-R119 IonicContact OD1-NE 3.3Å; D117-R119 PolarHBondContact OD1-NE 3.49Å; D117-R119 IonicContact OD2-CZ 2.59Å; D117-R119 VanDerWaalsContact OD2-CZ 3.24Å; D117-R119 IonicContact OD2-NE 2.73Å; D117-R119 PolarHBondContact OD2-NE 3.03Å; D117-R119 IonicContact OD2-NH2 2.76Å; D117-R119 PolarHBondContact OD2-NH2 3.26Å
118L87Confident94Very high82 Ų8239.7 Ų39.743%0.42920%0.199SC..  trans-102.10.9-176.3-58.8-179.9000113.9G52 T120 Q121G52-L118 PolarHBondContact O-N 3.44Å; L118-T120 PolarHBondContact O-N 3.07Å; L118-Q121 WeakPolarHBondContact O-CB 3.37Å; L118-Q121 PolarHBondContact O-N 3.44Å; L118-Q121 VanDerWaalsContact O-N 3.08Å
119R92.8Very high93.8Very high15 Ų1543 Ų436%0.05722%0.216CC..THydrogen-bonded Turntrans-59.8-24.6-175.786-176.365.9-166.6-6.9113.5W53 E55 Y110 D117 Q121 W158W53-R119 HydrophobicContact CD2-CB 3.92Å; W53-R119 VanDerWaalsContact CE2-CB 3.45Å; W53-R119 VanDerWaalsContact CE3-NH1 3.27Å; W53-R119 HydrophobicContact CG-CB 4.07Å; W53-R119 HydrophobicContact CZ2-CB 3.92Å; W53-R119 VanDerWaalsContact CZ3-NH1 3.31Å; W53-R119 VanDerWaalsContact NE1-CB 3.31Å; E55-R119 IonicContact OE1-CZ 3.32Å; E55-R119 IonicContact OE1-NH1 2.6Å; E55-R119 PolarHBondContact OE1-NH1 3.45Å; E55-R119 IonicContact OE1-NH2 3.94Å; E55-R119 PolarHBondContact OE1-NH2 3.06Å; Y110-R119 PolarHBondContact OH-NH1 3.32Å; D117-R119 VanDerWaalsContact CG-NE 3.31Å; D117-R119 WeakPolarHBondContact OD1-CA 3.47Å; D117-R119 WeakPolarHBondContact OD1-CB 3.45Å; D117-R119 WeakPolarHBondContact OD1-CG 3.4Å; D117-R119 PolarHBondContact OD1-N 3.17Å; D117-R119 IonicContact OD1-NE 3.3Å; D117-R119 PolarHBondContact OD1-NE 3.49Å; D117-R119 IonicContact OD2-CZ 2.59Å; D117-R119 VanDerWaalsContact OD2-CZ 3.24Å; D117-R119 IonicContact OD2-NE 2.73Å; D117-R119 PolarHBondContact OD2-NE 3.03Å; D117-R119 IonicContact OD2-NH2 2.76Å; D117-R119 PolarHBondContact OD2-NH2 3.26Å; R119-Q121 PolarHBondContact O-N 2.89Å; R119-W158 HydrophobicContact CG-CD2 4.17Å; R119-W158 HydrophobicContact CG-CG 4.24Å
120T95.2Very high93.6Very high0 Ų048.1 Ų48.10%024%0.237CC..THydrogen-bonded Turntrans-83.75.7-177.258.30000113.2L118 S122 T123 V124 T149 V154 K155 W158L118-T120 PolarHBondContact O-N 3.07Å; T120-S122 PolarHBondContact O-N 2.98Å; T120-T123 WeakPolarHBondContact O-CA 3.38Å; T120-T123 WeakPolarHBondContact O-CB 3.47Å; T120-T123 PolarHBondContact O-N 3.31Å; T120-T123 VanDerWaalsContact O-N 3.08Å; T120-V124 WeakPolarHBondContact O-CG2 3.41Å; T120-V124 PolarHBondContact O-N 3.24Å; T120-T149 WeakPolarHBondContact OG1-CA 3.4Å; T120-T149 VanDerWaalsContact OG1-CB 3.3Å; T120-T149 WeakPolarHBondContact OG1-CB 3.25Å; T120-T149 WeakPolarHBondContact OG1-CG2 3.44Å; T120-V154 HydrophobicContact CG2-CB 4.47Å; T120-V154 HydrophobicContact CG2-CG2 4.28Å; T120-V154 WeakPolarHBondContact CG2-O 3.48Å; T120-K155 HydrophobicContact CG2-CG 4.11Å; T120-W158 HydrophobicContact CG2-CB 3.94Å; T120-W158 HydrophobicContact CG2-CG 4.37Å
121Q91.9Very high93.4Very high90 Ų9045.2 Ų45.242%0.42123%0.226SC..Hα-helixtrans-54.4-49179.6-177.26132.600112.2L118 R119 T123 V124 E125 T149L118-Q121 WeakPolarHBondContact O-CB 3.37Å; L118-Q121 PolarHBondContact O-N 3.44Å; L118-Q121 VanDerWaalsContact O-N 3.08Å; R119-Q121 PolarHBondContact O-N 2.89Å; Q121-T123 VanDerWaalsContact C-N 3.32Å; Q121-T123 PolarHBondContact O-N 2.96Å; Q121-V124 WeakPolarHBondContact O-CB 3.39Å; Q121-V124 PolarHBondContact O-N 3.22Å; Q121-E125 WeakPolarHBondContact CG-OE1 3.24Å; Q121-E125 PolarHBondContact NE2-OE1 2.93Å; Q121-E125 WeakPolarHBondContact O-CG 3.42Å; Q121-E125 PolarHBondContact O-N 3.19Å; Q121-T149 HydrophobicContact CB-CG2 4.12Å
122S91.6Very high92.9Very high76 Ų7647.4 Ų47.453%0.53124%0.242SC..Hα-helixtrans-65.9-33.7177.4590000112.8T120 H126T120-S122 PolarHBondContact O-N 2.98Å; S122-H126 WeakPolarHBondContact O-CB 2.81Å; S122-H126 PolarHBondContact O-N 2.9Å
123T94.8Very high92.6Very high17 Ų1751.2 Ų51.210%0.10428%0.282CS..Hα-helixtrans-63.9-43.6173-530000110.9T120 Q121 L127 R157T120-T123 WeakPolarHBondContact O-CA 3.38Å; T120-T123 WeakPolarHBondContact O-CB 3.47Å; T120-T123 PolarHBondContact O-N 3.31Å; T120-T123 VanDerWaalsContact O-N 3.08Å; Q121-T123 VanDerWaalsContact C-N 3.32Å; Q121-T123 PolarHBondContact O-N 2.96Å; T123-L127 HydrophobicContact CG2-CD1 4.15Å; T123-L127 WeakPolarHBondContact O-CB 3.4Å; T123-L127 WeakPolarHBondContact O-CG 3.45Å; T123-L127 PolarHBondContact O-N 3.47Å; T123-R157 HydrophobicContact CG2-CB 4.23Å; T123-R157 HydrophobicContact CG2-CG 3.87Å
124V94.5Very high92.2Very high6 Ų659.6 Ų59.64%0.03631%0.313CS..Hα-helixtrans-64.3-47.1177.4170.80000110.8T120 Q121 H126 L127 I128 L147 T149 V154T120-V124 WeakPolarHBondContact O-CG2 3.41Å; T120-V124 PolarHBondContact O-N 3.24Å; Q121-V124 WeakPolarHBondContact O-CB 3.39Å; Q121-V124 PolarHBondContact O-N 3.22Å; V124-H126 PolarHBondContact O-N 3.46Å; V124-L127 PolarHBondContact O-N 2.89Å; V124-I128 HydrophobicContact CG1-CD1 3.72Å; V124-I128 HydrophobicContact CG1-CG1 4.38Å; V124-I128 VanDerWaalsContact O-CG1 3.31Å; V124-I128 WeakPolarHBondContact O-CG1 3.34Å; V124-I128 PolarHBondContact O-N 2.93Å; V124-L147 HydrophobicContact CG1-CB 4.39Å; V124-T149 HydrophobicContact CG2-CG2 4.1Å; V124-V154 HydrophobicContact CG2-CB 4.28Å; V124-V154 HydrophobicContact CG2-CG1 3.98Å; V124-V154 HydrophobicContact CG2-CG2 4.22Å
125E92.6Very high92Very high95 Ų9562.9 Ų62.944%0.44433%0.331SS..Hα-helixtrans-57.5-47.9177.2-74165.7-173.900111.6Q121 L127 I128 D129Q121-E125 WeakPolarHBondContact CG-OE1 3.24Å; Q121-E125 PolarHBondContact NE2-OE1 2.93Å; Q121-E125 WeakPolarHBondContact O-CG 3.42Å; Q121-E125 PolarHBondContact O-N 3.19Å; E125-L127 VanDerWaalsContact C-N 3.32Å; E125-L127 PolarHBondContact O-N 2.99Å; E125-I128 PolarHBondContact O-N 3.47Å; E125-D129 PolarHBondContact O-N 2.85Å
126H94.3Very high92Very high101 Ų10163.9 Ų63.947%0.46834%0.337SS..Hα-helixtrans-62.4-37.2177-177.867.1000113.4S122 V124 K130S122-H126 WeakPolarHBondContact O-CB 2.81Å; S122-H126 PolarHBondContact O-N 2.9Å; V124-H126 PolarHBondContact O-N 3.46Å; H126-K130 WeakPolarHBondContact CE1-CE 3.36Å; H126-K130 PolarHBondContact CE1-NZ 3.47Å; H126-K130 WeakPolarHBondContact NE2-CE 3.44Å; H126-K130 PolarHBondContact NE2-NZ 2.87Å; H126-K130 WeakPolarHBondContact O-CG 3.5Å; H126-K130 PolarHBondContact O-N 2.84Å
127L94.8Very high92.4Very high16 Ų1663.6 Ų63.68%0.08434%0.336CS..Hα-helixtrans-67.6-42.3175.1-73.4169.2000111.1T123 V124 E125 K130 T131 V154 Y224 F225T123-L127 HydrophobicContact CG2-CD1 4.15Å; T123-L127 WeakPolarHBondContact O-CB 3.4Å; T123-L127 WeakPolarHBondContact O-CG 3.45Å; T123-L127 PolarHBondContact O-N 3.47Å; V124-L127 PolarHBondContact O-N 2.89Å; E125-L127 VanDerWaalsContact C-N 3.32Å; E125-L127 PolarHBondContact O-N 2.99Å; L127-K130 PolarHBondContact O-N 3.39Å; L127-T131 PolarHBondContact O-N 2.82Å; L127-T131 VanDerWaalsContact O-N 3.08Å; L127-T131 PolarHBondContact O-OG1 3.04Å; L127-V154 HydrophobicContact CD1-CG1 3.83Å; L127-Y224 HydrophobicContact CB-CE1 4.44Å; L127-Y224 HydrophobicContact CD2-CD1 4.47Å; L127-Y224 HydrophobicContact CD2-CE1 3.84Å; L127-Y224 PolarHBondContact O-OH 2.78Å; L127-F225 HydrophobicContact CD1-CD1 3.82Å; L127-F225 HydrophobicContact CD1-CE1 3.77Å
128I93.9Very high92.7Very high36 Ų3666.8 Ų66.819%0.18535%0.35CS..Hα-helixtrans-62-44.7175.3-69.5169000110.3V124 E125 K130 T131 R134 K136 L147V124-I128 HydrophobicContact CG1-CD1 3.72Å; V124-I128 HydrophobicContact CG1-CG1 4.38Å; V124-I128 VanDerWaalsContact O-CG1 3.31Å; V124-I128 WeakPolarHBondContact O-CG1 3.34Å; V124-I128 PolarHBondContact O-N 2.93Å; E125-I128 PolarHBondContact O-N 3.47Å; I128-K130 PolarHBondContact O-N 3.49Å; I128-T131 VanDerWaalsContact O-CB 3.24Å; I128-T131 WeakPolarHBondContact O-CB 3.37Å; I128-T131 PolarHBondContact O-N 3.38Å; I128-R134 HydrophobicContact CG2-CB 4.08Å; I128-R134 WeakPolarHBondContact CG2-O 3.43Å; I128-R134 WeakPolarHBondContact O-CA 3.26Å; I128-K136 HydrophobicContact CD1-CB 4.15Å; I128-L147 HydrophobicContact CD1-CB 4.42Å; I128-L147 HydrophobicContact CG1-CB 4.16Å; I128-L147 HydrophobicContact CG1-CD1 3.73Å
129D94.4Very high93.1Very high96 Ų9663.3 Ų63.351%0.51333%0.332SS..Hα-helixtrans-62-32.5179.5-81.1-23.8000113.3E125 T131 R134E125-D129 PolarHBondContact O-N 2.85Å; D129-T131 VanDerWaalsContact C-N 3.35Å; D129-R134 IonicContact OD1-NE 3.68Å
130K93.3Very high93.2Very high141 Ų14164.4 Ų64.461%0.61334%0.337SS*.Hα-helixtrans-81.5-13.8174.5-72.2178.2172.7-179.50113.8H126 L127 I128H126-K130 WeakPolarHBondContact CE1-CE 3.36Å; H126-K130 PolarHBondContact CE1-NZ 3.47Å; H126-K130 WeakPolarHBondContact NE2-CE 3.44Å; H126-K130 PolarHBondContact NE2-NZ 2.87Å; H126-K130 WeakPolarHBondContact O-CG 3.5Å; H126-K130 PolarHBondContact O-N 2.84Å; L127-K130 PolarHBondContact O-N 3.39Å; I128-K130 PolarHBondContact O-N 3.49Å
131T93.9Very high93.2Very high5 Ų569.7 Ų69.73%0.03136%0.361CS..SBendtrans-77136.3-178.1-64.40000110.4L127 I128 D129 G133 R134 H138 Y224L127-T131 PolarHBondContact O-N 2.82Å; L127-T131 VanDerWaalsContact O-N 3.08Å; L127-T131 PolarHBondContact O-OG1 3.04Å; I128-T131 VanDerWaalsContact O-CB 3.24Å; I128-T131 WeakPolarHBondContact O-CB 3.37Å; I128-T131 PolarHBondContact O-N 3.38Å; D129-T131 VanDerWaalsContact C-N 3.35Å; T131-G133 PolarHBondContact O-N 2.73Å; T131-G133 VanDerWaalsContact O-N 3.17Å; T131-R134 PolarHBondContact O-N 3.17Å; T131-H138 HydrophobicContact CG2-CB 3.28Å; T131-H138 VanDerWaalsContact CG2-CG 3.4Å; T131-Y224 PolarHBondContact OG1-OH 2.95Å
132P89.8Confident93.5Very high92 Ų9266.8 Ų66.860%0.59735%0.347SS*.G310 helixtrans-51.5124.3172.7-27.335.5000111.8R134P132-R134 PolarHBondContact O-N 3.23Å
133G91.1Very high93.8Very high80 Ų8063.1 Ų63.183%0.82532%0.321SS*.G310 helixtrans72.57.3-17900000115.4T131 D135T131-G133 PolarHBondContact O-N 2.73Å; T131-G133 VanDerWaalsContact O-N 3.17Å; G133-D135 PolarHBondContact O-N 3.39Å
134R91.7Very high93.9Very high175 Ų17562.3 Ų62.366%0.6632%0.317SS*.G310 helixtrans52.233.8-175.5-56.1-174.7-176.2178.9-1.6113I128 D129 T131 P132 K136I128-R134 HydrophobicContact CG2-CB 4.08Å; I128-R134 WeakPolarHBondContact CG2-O 3.43Å; I128-R134 WeakPolarHBondContact O-CA 3.26Å; D129-R134 IonicContact OD1-NE 3.68Å; T131-R134 PolarHBondContact O-N 3.17Å; P132-R134 PolarHBondContact O-N 3.23Å; R134-K136 PolarHBondContact O-N 3.11Å
135D90.9Very high93.9Very high70 Ų7062 Ų6237%0.37432%0.315SS..  trans-85.4113.2-176.4179.118000111.3G133 N137 H138G133-D135 PolarHBondContact O-N 3.39Å; D135-N137 PolarHBondContact O-N 3.12Å; D135-N137 VanDerWaalsContact O-N 3.07Å; D135-N137 WeakPolarHBondContact OD1-CB 3.32Å; D135-N137 PolarHBondContact OD1-N 3.37Å; D135-N137 PolarHBondContact OD1-ND2 3.13Å; D135-H138 WeakPolarHBondContact O-CB 3.16Å; D135-H138 PolarHBondContact O-N 3.1Å; D135-H138 VanDerWaalsContact O-N 3.12Å
136K90.6Very high94Very high84 Ų8458 Ų5837%0.36530%0.297SS..THydrogen-bonded Turntrans-58.6-18.9173.769.1179.5-178.4-179.90113.5I128 R134 P146 L147I128-K136 HydrophobicContact CD1-CB 4.15Å; R134-K136 PolarHBondContact O-N 3.11Å; K136-P146 CarbonylContact O-C 3.59Å; K136-P146 WeakPolarHBondContact O-CA 3.34Å; K136-L147 PolarHBondContact O-N 3.46Å
137N92.6Very high93.9Very high58 Ų5853.7 Ų53.731%0.3128%0.277SS..THydrogen-bonded Turntrans-96.67.1-179.9-59.1-65.9000114.1D135 L139 R140D135-N137 PolarHBondContact O-N 3.12Å; D135-N137 VanDerWaalsContact O-N 3.07Å; D135-N137 WeakPolarHBondContact OD1-CB 3.32Å; D135-N137 PolarHBondContact OD1-N 3.37Å; D135-N137 PolarHBondContact OD1-ND2 3.13Å; N137-L139 PolarHBondContact O-N 2.8Å; N137-L139 VanDerWaalsContact O-N 3.08Å; N137-R140 HydrophobicContact CB-CB 4.28Å; N137-R140 WeakPolarHBondContact O-CB 3.17Å; N137-R140 PolarHBondContact O-N 2.88Å
138H94.4Very high93.8Very high67 Ų6753.8 Ų53.831%0.3128%0.279SS..THydrogen-bonded Turntrans-51.6-40-173.1179.667.6000114.5T131 D135 H141T131-H138 HydrophobicContact CG2-CB 3.28Å; T131-H138 VanDerWaalsContact CG2-CG 3.4Å; D135-H138 WeakPolarHBondContact O-CB 3.16Å; D135-H138 PolarHBondContact O-N 3.1Å; D135-H138 VanDerWaalsContact O-N 3.12Å; H138-H141 PolarHBondContact O-CE1 2.88Å; H138-H141 PolarHBondContact O-ND1 3.32Å
139L95.7Very high93.5Very high10 Ų1052.7 Ų52.75%0.05227%0.274CS..THydrogen-bonded Turntrans-87.6-6-177.3-58-178.6000114N137 H141 K142 T143 L147 M208 L221 Y224 F225N137-L139 PolarHBondContact O-N 2.8Å; N137-L139 VanDerWaalsContact O-N 3.08Å; L139-H141 PolarHBondContact O-N 2.87Å; L139-K142 PolarHBondContact O-N 2.58Å; L139-T143 PolarHBondContact O-N 3.21Å; L139-T143 VanDerWaalsContact O-N 3.12Å; L139-T143 PolarHBondContact O-OG1 3.42Å; L139-L147 HydrophobicContact CD1-CD2 4.17Å; L139-M208 HydrophobicContact CB-CE 4.36Å; L139-M208 HydrophobicContact CD1-CE 4.04Å; L139-L221 HydrophobicContact CB-CD2 4.3Å; L139-L221 HydrophobicContact CD1-CD2 4.19Å; L139-L221 HydrophobicContact CD2-CD2 3.86Å; L139-L221 HydrophobicContact CG-CD2 4.34Å; L139-Y224 HydrophobicContact CD1-CD1 3.73Å; L139-Y224 HydrophobicContact CD1-CE1 3.68Å; L139-Y224 HydrophobicContact CD1-CG 4.32Å; L139-Y224 HydrophobicContact CD2-CD2 4.41Å; L139-Y224 HydrophobicContact CD2-CG 4.45Å; L139-F225 HydrophobicContact CD1-CE2 3.65Å; L139-F225 HydrophobicContact CD1-CZ 3.56Å
140R95.3Very high93.3Very high38 Ų3848.9 Ų48.914%0.14325%0.253CS..Hα-helixtrans-61.8-31.9-170.2-168174.8172.9-129.7-5112.8N137 K142 T143 G144 M297 S298 L302N137-R140 HydrophobicContact CB-CB 4.28Å; N137-R140 WeakPolarHBondContact O-CB 3.17Å; N137-R140 PolarHBondContact O-N 2.88Å; R140-K142 PolarHBondContact O-N 2.79Å; R140-T143 PolarHBondContact O-N 2.64Å; R140-G144 VanDerWaalsContact O-CA 3.27Å; R140-G144 WeakPolarHBondContact O-CA 3.34Å; R140-G144 PolarHBondContact O-N 2.92Å; R140-M297 HydrophobicContact CG-CE 3.78Å; R140-M297 WeakPolarHBondContact O-CE 3.23Å; R140-S298 PolarHBondContact NH1-O 3.17Å; R140-S298 PolarHBondContact NH2-O 3.07Å; R140-S298 PolarHBondContact NH2-OG 2.94Å; R140-L302 PolarHBondContact NH2-O 3.04Å; R140-L302 VanDerWaalsContact NH2-O 3.17Å
141H95.8Very high93.5Very high110 Ų11042.1 Ų42.151%0.50922%0.223SC..Hα-helixtrans-62.3-23.1176.271.9-79.1000113.7H138 L139 H213H138-H141 PolarHBondContact O-CE1 2.88Å; H138-H141 PolarHBondContact O-ND1 3.32Å; L139-H141 PolarHBondContact O-N 2.87Å; H141-H213 PolarHBondContact O-CD2 3.12Å; H141-H213 VanDerWaalsContact O-CD2 3.31Å; H141-H213 PolarHBondContact O-NE2 2.88Å
142K97.8Very high93.7Very high29 Ų2941.9 Ų41.913%0.12622%0.222CC..Hα-helixtrans-98.1-39.6175.1-76.6169.8-179.9-86.50113L139 R140 N211 I212 D218 E220 L221L139-K142 PolarHBondContact O-N 2.58Å; R140-K142 PolarHBondContact O-N 2.79Å; K142-N211 WeakPolarHBondContact O-CA 3.36Å; K142-I212 WeakPolarHBondContact O-CG1 3.48Å; K142-I212 PolarHBondContact O-N 2.97Å; K142-D218 IonicContact NZ-OD1 3.25Å; K142-D218 IonicContact NZ-OD2 3.79Å; K142-D218 PolarHBondContact NZ-OD2 2.52Å; K142-E220 WeakPolarHBondContact CE-OE2 3.27Å; K142-E220 IonicContact NZ-OE2 2.81Å; K142-E220 PolarHBondContact NZ-OE2 2.93Å; K142-L221 HydrophobicContact CB-CD1 4.26Å; K142-L221 HydrophobicContact CB-CD2 4.35Å; K142-L221 HydrophobicContact CD-CD2 3.87Å; K142-L221 HydrophobicContact CD-CG 4.13Å
143T97.9Very high94.2Very high0 Ų037.5 Ų37.50%019%0.194CC..Hα-helixtrans-103.5-24-168.961.90000113.5L139 R140 L145 M208 I212 L221L139-T143 PolarHBondContact O-N 3.21Å; L139-T143 VanDerWaalsContact O-N 3.12Å; L139-T143 PolarHBondContact O-OG1 3.42Å; R140-T143 PolarHBondContact O-N 2.64Å; T143-L145 PolarHBondContact OG1-N 3.27Å; T143-L145 PolarHBondContact OG1-O 2.89Å; T143-M208 HydrophobicContact CG2-CB 4.46Å; T143-I212 WeakPolarHBondContact O-CG2 3.43Å; T143-L221 HydrophobicContact CG2-CD1 3.47Å; T143-L221 VanDerWaalsContact CG2-CD1 3.47Å; T143-L221 HydrophobicContact CG2-CD2 4.12Å; T143-L221 HydrophobicContact CG2-CG 4.47Å
144G96.6Very high94.5Very high0 Ų033.7 Ų33.70%015%0.154CC..SBendtrans78.60.7-166.600000114.7R140 T304R140-G144 VanDerWaalsContact O-CA 3.27Å; R140-G144 WeakPolarHBondContact O-CA 3.34Å; R140-G144 PolarHBondContact O-N 2.92Å; G144-T304 CarbonylContact C-O 3.58Å; G144-T304 WeakPolarHBondContact CA-O 3.41Å; G144-T304 PolarHBondContact O-N 2.69Å; G144-T304 VanDerWaalsContact O-N 3.07Å
145L95.6Very high94.8Very high0 Ų025.4 Ų25.40%012%0.123CC..  trans-119.4143.3-168.7-52.4178.2000112.7T143 F151 S205 M208 L303T143-L145 PolarHBondContact OG1-N 3.27Å; T143-L145 PolarHBondContact OG1-O 2.89Å; L145-F151 HydrophobicContact CB-CD2 4.31Å; L145-F151 HydrophobicContact CB-CE1 4.36Å; L145-F151 HydrophobicContact CB-CE2 3.87Å; L145-F151 HydrophobicContact CB-CZ 3.89Å; L145-F151 HydrophobicContact CD1-CD1 3.63Å; L145-F151 HydrophobicContact CD1-CD2 4.38Å; L145-F151 HydrophobicContact CD1-CE1 3.66Å; L145-F151 HydrophobicContact CD1-CE2 4.41Å; L145-F151 HydrophobicContact CD1-CG 4Å; L145-F151 HydrophobicContact CD1-CZ 4.07Å; L145-F151 HydrophobicContact CD2-CE1 3.76Å; L145-F151 HydrophobicContact CD2-CZ 3.78Å; L145-F151 HydrophobicContact CG-CE1 4.12Å; L145-F151 HydrophobicContact CG-CZ 4.11Å; L145-S205 VanDerWaalsContact CD1-O 3.25Å; L145-S205 WeakPolarHBondContact CD1-O 3.02Å; L145-M208 HydrophobicContact CB-CG 4.15Å; L145-M208 HydrophobicContact CD1-CG 3.78Å; L145-L303 HydrophobicContact CD2-CB 4.16Å; L145-L303 HydrophobicContact CD2-CD1 4.28Å; L145-L303 HydrophobicContact CD2-CD2 4.16Å; L145-L303 HydrophobicContact CD2-CG 4.43Å
146P93.2Very high95.2Very high11 Ų1122 Ų227%0.07111%0.105CC..  trans-78.4163.416834.5-34.4000111.6K136 S148 F151 M208 L303 W374K136-P146 CarbonylContact O-C 3.59Å; K136-P146 WeakPolarHBondContact O-CA 3.34Å; P146-S148 PolarHBondContact O-N 2.74Å; P146-F151 HydrophobicContact CG-CE2 4.3Å; P146-F151 WeakPolarHBondContact O-CD2 3.27Å; P146-F151 WeakPolarHBondContact O-CE2 3.26Å; P146-M208 WeakPolarHBondContact O-CE 3.49Å; P146-L303 HydrophobicContact CG-CD2 4.1Å; P146-W374 HydrophobicContact CG-CZ2 4.49Å
147L93.3Very high95.6Very high9 Ų920.4 Ų20.45%0.04710%0.096CC..SBendtrans-67.1119.5165.1-70.6167.5000109.1V124 I128 K136 L139 M208 Y224 F225V124-L147 HydrophobicContact CG1-CB 4.39Å; I128-L147 HydrophobicContact CD1-CB 4.42Å; I128-L147 HydrophobicContact CG1-CB 4.16Å; I128-L147 HydrophobicContact CG1-CD1 3.73Å; K136-L147 PolarHBondContact O-N 3.46Å; L139-L147 HydrophobicContact CD1-CD2 4.17Å; L147-M208 HydrophobicContact CD2-CE 3.8Å; L147-M208 HydrophobicContact CG-CE 4.27Å; L147-Y224 WeakPolarHBondContact CD1-OH 3.42Å; L147-Y224 HydrophobicContact CD2-CE1 4.15Å; L147-F225 HydrophobicContact CD2-CE1 4.03Å; L147-F225 HydrophobicContact CD2-CZ 3.99Å
148S91.1Very high95.9Very high18 Ų1818.7 Ų18.713%0.1269%0.086CC..  trans-156.4156.1-178.5177.40000109.5P146 Y150 V154P146-S148 PolarHBondContact O-N 2.74Å; S148-Y150 PolarHBondContact O-N 3.18Å; S148-Y150 VanDerWaalsContact O-N 3.16Å; S148-Y150 PolarHBondContact OG-N 2.8Å; S148-V154 WeakPolarHBondContact O-CG2 3.04Å
149T89.3Confident96.1Very high14 Ų1415.5 Ų15.59%0.0867%0.071CC..THydrogen-bonded Turntrans-61-19.7173.954.70000112.5T120 Q121 V124 F151 K155T120-T149 WeakPolarHBondContact OG1-CA 3.4Å; T120-T149 VanDerWaalsContact OG1-CB 3.3Å; T120-T149 WeakPolarHBondContact OG1-CB 3.25Å; T120-T149 WeakPolarHBondContact OG1-CG2 3.44Å; Q121-T149 HydrophobicContact CB-CG2 4.12Å; V124-T149 HydrophobicContact CG2-CG2 4.1Å; T149-F151 PolarHBondContact O-N 2.99Å; T149-K155 PolarHBondContact O-NZ 3.49Å
150Y90.5Very high96.2Very high15 Ų1515.7 Ų15.76%0.0597%0.072CC..THydrogen-bonded Turntrans-60.7-42-175.1-169-170.3000113.1E96 W115 S148 K155E96-Y150 HydrophobicContact CB-CD2 4.28Å; E96-Y150 HydrophobicContact CB-CE2 4.26Å; E96-Y150 VanDerWaalsContact CB-O 3.23Å; E96-Y150 WeakPolarHBondContact CB-O 3.49Å; E96-Y150 VanDerWaalsContact CD-CE2 3.45Å; E96-Y150 HydrophobicContact CG-CD2 3.94Å; E96-Y150 HydrophobicContact CG-CE2 3.86Å; E96-Y150 WeakPolarHBondContact CG-O 3.39Å; E96-Y150 WeakPolarHBondContact OE2-CE2 3.3Å; E96-Y150 PolarHBondContact OE2-OH 2.86Å; W115-Y150 HydrophobicContact CB-CD2 3.92Å; W115-Y150 HydrophobicContact CB-CE2 3.71Å; W115-Y150 HydrophobicContact CD2-CD2 4.5Å; W115-Y150 AromaticContact CD2-CE2 3.89Å; W115-Y150 HydrophobicContact CD2-CE2 3.89Å; W115-Y150 AromaticContact CE3-CD2 3.84Å; W115-Y150 HydrophobicContact CE3-CD2 3.84Å; W115-Y150 AromaticContact CE3-CE2 3.39Å; W115-Y150 HydrophobicContact CE3-CE2 3.39Å; W115-Y150 HydrophobicContact CG-CE2 4.06Å; W115-Y150 HydrophobicContact CZ3-CE2 4.29Å; S148-Y150 PolarHBondContact O-N 3.18Å; S148-Y150 VanDerWaalsContact O-N 3.16Å; S148-Y150 PolarHBondContact OG-N 2.8Å; Y150-K155 VanDerWaalsContact C-NZ 3.31Å; Y150-K155 PolarHBondContact O-NZ 2.95Å
151F96.8Very high96.3Very high0 Ų017.8 Ų17.80%09%0.086CC..SBendtrans-87.9158.4-165.6-53-64.6000115.2E96 L145 P146 T149 A153 V154 R206 M208 L303E96-F151 HydrophobicContact CG-CD1 3.9Å; L145-F151 HydrophobicContact CB-CD2 4.31Å; L145-F151 HydrophobicContact CB-CE1 4.36Å; L145-F151 HydrophobicContact CB-CE2 3.87Å; L145-F151 HydrophobicContact CB-CZ 3.89Å; L145-F151 HydrophobicContact CD1-CD1 3.63Å; L145-F151 HydrophobicContact CD1-CD2 4.38Å; L145-F151 HydrophobicContact CD1-CE1 3.66Å; L145-F151 HydrophobicContact CD1-CE2 4.41Å; L145-F151 HydrophobicContact CD1-CG 4Å; L145-F151 HydrophobicContact CD1-CZ 4.07Å; L145-F151 HydrophobicContact CD2-CE1 3.76Å; L145-F151 HydrophobicContact CD2-CZ 3.78Å; L145-F151 HydrophobicContact CG-CE1 4.12Å; L145-F151 HydrophobicContact CG-CZ 4.11Å; P146-F151 HydrophobicContact CG-CE2 4.3Å; P146-F151 WeakPolarHBondContact O-CD2 3.27Å; P146-F151 WeakPolarHBondContact O-CE2 3.26Å; T149-F151 PolarHBondContact O-N 2.99Å; F151-A153 PolarHBondContact O-N 3.46Å; F151-V154 VanDerWaalsContact O-CG2 3.27Å; F151-V154 WeakPolarHBondContact O-CG2 3.4Å; F151-R206 WeakPolarHBondContact CD1-O 3.25Å; F151-M208 HydrophobicContact CB-CG 3.57Å; F151-M208 HydrophobicContact CB-SD 3.78Å; F151-M208 HydrophobicContact CD2-CG 3.86Å; F151-M208 HydrophobicContact CD2-SD 3.51Å; F151-M208 VanDerWaalsContact CD2-SD 3.51Å; F151-M208 HydrophobicContact CE2-SD 4.47Å; F151-M208 HydrophobicContact CG-CG 3.78Å; F151-M208 HydrophobicContact CG-SD 3.95Å; F151-L303 HydrophobicContact CE1-CD1 4.36Å; F151-L303 HydrophobicContact CZ-CD1 4.12Å; F151-L303 HydrophobicContact CZ-CD2 4.11Å
152S98.7Very high96.4Very high0 Ų017.1 Ų17.10%09%0.086CC..Hα-helixtrans-65.9-34.3-170.3-45.80000114.8E96 T98 V154 K155 L156E96-S152 WeakPolarHBondContact CA-OG 3.11Å; E96-S152 PolarHBondContact O-OG 2.9Å; T98-S152 WeakPolarHBondContact OG1-CA 3.29Å; T98-S152 VanDerWaalsContact OG1-CB 3.27Å; T98-S152 WeakPolarHBondContact OG1-CB 3.29Å; S152-V154 VanDerWaalsContact C-N 3.29Å; S152-V154 PolarHBondContact O-N 3.36Å; S152-K155 WeakPolarHBondContact O-CB 3.39Å; S152-K155 PolarHBondContact O-N 3.29Å; S152-K155 VanDerWaalsContact O-N 3.14Å; S152-L156 WeakPolarHBondContact O-CB 3.38Å; S152-L156 PolarHBondContact O-N 3.1Å
153A98.6Very high96.5Very high0 Ų016.1 Ų16.10%08%0.082CC..Hα-helixtrans-57.3-40.5-175.400000113F151 R157 T207 M208 L209 F225F151-A153 PolarHBondContact O-N 3.46Å; A153-R157 WeakPolarHBondContact O-CB 3.4Å; A153-R157 PolarHBondContact O-N 3.29Å; A153-T207 WeakPolarHBondContact CA-O 3.45Å; A153-T207 WeakPolarHBondContact CB-O 3.36Å; A153-T207 PolarHBondContact N-O 3.44Å; A153-M208 HydrophobicContact CB-CB 3.98Å; A153-L209 HydrophobicContact CB-CD2 3.86Å; A153-L209 HydrophobicContact CB-CG 3.98Å; A153-F225 HydrophobicContact CB-CB 4.41Å; A153-F225 HydrophobicContact CB-CD1 3.76Å; A153-F225 HydrophobicContact CB-CD2 3.7Å; A153-F225 HydrophobicContact CB-CE1 3.83Å; A153-F225 HydrophobicContact CB-CE2 3.8Å; A153-F225 HydrophobicContact CB-CG 3.7Å; A153-F225 HydrophobicContact CB-CZ 3.86Å
154V98.1Very high96.5Very high0 Ų021.8 Ų21.80%011%0.109CC..Hα-helixtrans-75.2-31.2-178.9-62.60000112.1T120 V124 L127 S148 F151 S152 W158 F225T120-V154 HydrophobicContact CG2-CB 4.47Å; T120-V154 HydrophobicContact CG2-CG2 4.28Å; T120-V154 WeakPolarHBondContact CG2-O 3.48Å; V124-V154 HydrophobicContact CG2-CB 4.28Å; V124-V154 HydrophobicContact CG2-CG1 3.98Å; V124-V154 HydrophobicContact CG2-CG2 4.22Å; L127-V154 HydrophobicContact CD1-CG1 3.83Å; S148-V154 WeakPolarHBondContact O-CG2 3.04Å; F151-V154 VanDerWaalsContact O-CG2 3.27Å; F151-V154 WeakPolarHBondContact O-CG2 3.4Å; S152-V154 VanDerWaalsContact C-N 3.29Å; S152-V154 PolarHBondContact O-N 3.36Å; V154-W158 WeakPolarHBondContact O-CB 3.41Å; V154-W158 PolarHBondContact O-N 3.1Å; V154-F225 HydrophobicContact CG1-CD1 4.39Å; V154-F225 HydrophobicContact CG1-CE1 3.9Å
155K98.7Very high96.6Very high0 Ų026.9 Ų26.90%013%0.133CC..Hα-helixtrans-67.4-44.7172.2-63.1174.8164.569.80111T98 I113 V114 W115 T120 T149 Y150 S152 W158 L159T98-K155 HydrophobicContact CG2-CB 4.24Å; I113-K155 HydrophobicContact CB-CB 4.35Å; I113-K155 HydrophobicContact CB-CD 4.2Å; I113-K155 HydrophobicContact CB-CG 4.4Å; I113-K155 HydrophobicContact CG2-CB 4.25Å; I113-K155 HydrophobicContact CG2-CD 3.81Å; I113-K155 HydrophobicContact CG2-CG 3.85Å; V114-K155 WeakPolarHBondContact O-CE 3.49Å; W115-K155 PolarHBondContact O-NZ 3.06Å; W115-K155 VanDerWaalsContact O-NZ 3.16Å; T120-K155 HydrophobicContact CG2-CG 4.11Å; T149-K155 PolarHBondContact O-NZ 3.49Å; Y150-K155 VanDerWaalsContact C-NZ 3.31Å; Y150-K155 PolarHBondContact O-NZ 2.95Å; S152-K155 WeakPolarHBondContact O-CB 3.39Å; S152-K155 PolarHBondContact O-N 3.29Å; S152-K155 VanDerWaalsContact O-N 3.14Å; K155-W158 WeakPolarHBondContact O-CB 3.31Å; K155-W158 PolarHBondContact O-N 3.08Å; K155-L159 WeakPolarHBondContact O-CG 3.46Å; K155-L159 PolarHBondContact O-N 3.08Å
156L98.7Very high96.7Very high0 Ų026.9 Ų26.90%013%0.133CC..Hα-helixtrans-63.6-42.6174.9-178.757.4000111.7T98 V100 S152 W158 L159 L160 F177 L209 V227 I231T98-L156 HydrophobicContact CG2-CB 4.4Å; V100-L156 HydrophobicContact CG2-CD1 3.61Å; S152-L156 WeakPolarHBondContact O-CB 3.38Å; S152-L156 PolarHBondContact O-N 3.1Å; L156-W158 VanDerWaalsContact C-N 3.32Å; L156-W158 PolarHBondContact O-N 3.21Å; L156-L159 PolarHBondContact O-N 3.35Å; L156-L160 HydrophobicContact CD1-CG 4.47Å; L156-L160 HydrophobicContact CG-CD1 4.21Å; L156-L160 VanDerWaalsContact O-CG 3.25Å; L156-L160 WeakPolarHBondContact O-CG 3.25Å; L156-L160 PolarHBondContact O-N 2.81Å; L156-F177 HydrophobicContact CB-CD2 4.39Å; L156-F177 HydrophobicContact CB-CE2 4.3Å; L156-F177 HydrophobicContact CD1-CB 4.38Å; L156-F177 HydrophobicContact CD1-CD2 3.85Å; L156-F177 HydrophobicContact CD1-CG 4.34Å; L156-F177 HydrophobicContact CD2-CB 4.32Å; L156-F177 HydrophobicContact CD2-CD1 4.23Å; L156-F177 HydrophobicContact CD2-CD2 3.67Å; L156-F177 HydrophobicContact CD2-CE2 3.97Å; L156-F177 HydrophobicContact CD2-CG 3.79Å; L156-F177 HydrophobicContact CD2-CZ 4.39Å; L156-F177 HydrophobicContact CG-CD2 4.18Å; L156-L209 HydrophobicContact CD2-CD1 4.2Å; L156-V227 HydrophobicContact CD2-CB 4.34Å; L156-V227 HydrophobicContact CD2-CG1 3.52Å; L156-V227 HydrophobicContact CD2-CG2 3.8Å; L156-V227 HydrophobicContact CG-CG1 4.49Å; L156-V227 HydrophobicContact CG-CG2 4.11Å; L156-I231 HydrophobicContact CD1-CD1 4.19Å; L156-I231 HydrophobicContact CD2-CD1 4.21Å
157R98.4Very high97Very high49 Ų4930.4 Ų30.419%0.18515%0.148CC..Hα-helixtrans-56.8-47.7172.8-178.563.2-105158.40.5111.4T123 A153 L159 L160 D161 F225 G226T123-R157 HydrophobicContact CG2-CB 4.23Å; T123-R157 HydrophobicContact CG2-CG 3.87Å; A153-R157 WeakPolarHBondContact O-CB 3.4Å; A153-R157 PolarHBondContact O-N 3.29Å; R157-L159 VanDerWaalsContact C-N 3.34Å; R157-L159 PolarHBondContact O-N 2.82Å; R157-L160 VanDerWaalsContact NH2-CB 3.3Å; R157-L160 WeakPolarHBondContact O-CB 3.41Å; R157-L160 PolarHBondContact O-N 3.28Å; R157-D161 IonicContact CZ-OD1 3.51Å; R157-D161 VanDerWaalsContact CZ-OD1 3.25Å; R157-D161 IonicContact CZ-OD2 2.89Å; R157-D161 VanDerWaalsContact NE-CG 3.25Å; R157-D161 IonicContact NE-OD1 3.26Å; R157-D161 PolarHBondContact NE-OD1 3.17Å; R157-D161 VanDerWaalsContact NE-OD1 3.13Å; R157-D161 IonicContact NE-OD2 3.48Å; R157-D161 PolarHBondContact NE-OD2 3.1Å; R157-D161 IonicContact NH2-OD1 3.38Å; R157-D161 PolarHBondContact NH2-OD1 3.1Å; R157-D161 IonicContact NH2-OD2 3.75Å; R157-D161 PolarHBondContact O-N 3.22Å; R157-F225 WeakPolarHBondContact CD-O 3.48Å; R157-F225 PolarHBondContact NH1-O 3.45Å; R157-G226 PolarHBondContact NH1-O 3.11Å
158W98.5Very high97.2Very high22 Ų2234.5 Ų34.58%0.08317%0.167CC..Hα-helixtrans-59-44.4178.1-175.595.2000111.9W53 Y110 I113 R119 T120 V154 K155 L156 L160 D161 N162 V163W53-W158 AromaticContact CH2-CH2 3.92Å; W53-W158 HydrophobicContact CH2-CH2 3.92Å; W53-W158 AromaticContact CH2-CZ2 3.48Å; W53-W158 HydrophobicContact CH2-CZ2 3.48Å; W53-W158 VanDerWaalsContact CH2-CZ2 3.48Å; W53-W158 HydrophobicContact CZ2-CZ2 4.17Å; W53-W158 HydrophobicContact CZ3-CH2 4.03Å; W53-W158 HydrophobicContact CZ3-CZ2 4.06Å; Y110-W158 HydrophobicContact CE1-CZ3 4.16Å; I113-W158 HydrophobicContact CD1-CE3 3.65Å; I113-W158 HydrophobicContact CD1-CZ3 4.02Å; R119-W158 HydrophobicContact CG-CD2 4.17Å; R119-W158 HydrophobicContact CG-CG 4.24Å; T120-W158 HydrophobicContact CG2-CB 3.94Å; T120-W158 HydrophobicContact CG2-CG 4.37Å; V154-W158 WeakPolarHBondContact O-CB 3.41Å; V154-W158 PolarHBondContact O-N 3.1Å; K155-W158 WeakPolarHBondContact O-CB 3.31Å; K155-W158 PolarHBondContact O-N 3.08Å; L156-W158 VanDerWaalsContact C-N 3.32Å; L156-W158 PolarHBondContact O-N 3.21Å; W158-L160 VanDerWaalsContact C-N 3.34Å; W158-L160 PolarHBondContact O-N 3.14Å; W158-D161 PolarHBondContact O-N 3.2Å; W158-D161 VanDerWaalsContact O-N 3.15Å; W158-N162 HydrophobicContact CD2-CB 4.2Å; W158-N162 HydrophobicContact CE3-CB 4.36Å; W158-N162 HydrophobicContact CH2-CB 4Å; W158-N162 HydrophobicContact CZ2-CB 3.8Å; W158-N162 HydrophobicContact CZ3-CB 4.28Å; W158-N162 PolarHBondContact NE1-ND2 3.46Å; W158-N162 WeakPolarHBondContact O-CB 3.34Å; W158-N162 PolarHBondContact O-N 3.02Å; W158-N162 PolarHBondContact O-ND2 3.34Å; W158-V163 HydrophobicContact CZ3-CG2 4.06Å
159L98.6Very high97.5Very high1 Ų133.6 Ų33.61%0.00516%0.161CC..Hα-helixtrans-60-43.9175.2-71.9169.5000111.9T98 V100 Y110 I113 K155 L156 R157 D161 N162 V163 V166T98-L159 HydrophobicContact CG2-CD1 4.02Å; V100-L159 HydrophobicContact CB-CD1 4.46Å; V100-L159 HydrophobicContact CG2-CD1 3.68Å; Y110-L159 HydrophobicContact CD1-CD2 3.57Å; Y110-L159 HydrophobicContact CE1-CD2 4.3Å; Y110-L159 HydrophobicContact CG-CD2 3.78Å; I113-L159 HydrophobicContact CD1-CD1 4.17Å; I113-L159 HydrophobicContact CD1-CD2 3.77Å; I113-L159 HydrophobicContact CD1-CG 3.74Å; I113-L159 HydrophobicContact CG1-CD2 4.49Å; K155-L159 WeakPolarHBondContact O-CG 3.46Å; K155-L159 PolarHBondContact O-N 3.08Å; L156-L159 PolarHBondContact O-N 3.35Å; R157-L159 VanDerWaalsContact C-N 3.34Å; R157-L159 PolarHBondContact O-N 2.82Å; L159-D161 PolarHBondContact O-N 3.46Å; L159-N162 PolarHBondContact O-N 3.4Å; L159-V163 HydrophobicContact CD2-CG2 3.71Å; L159-V163 WeakPolarHBondContact O-CB 3.18Å; L159-V163 PolarHBondContact O-N 2.9Å; L159-V166 HydrophobicContact CB-CG1 4.38Å
160L98.4Very high98Very high13 Ų1334 Ų347%0.06816%0.163CC..Hα-helixtrans-63.8-29177-67.8166.5000112.6L156 R157 W158 V166 Q167 V170 V227L156-L160 HydrophobicContact CD1-CG 4.47Å; L156-L160 HydrophobicContact CG-CD1 4.21Å; L156-L160 VanDerWaalsContact O-CG 3.25Å; L156-L160 WeakPolarHBondContact O-CG 3.25Å; L156-L160 PolarHBondContact O-N 2.81Å; R157-L160 VanDerWaalsContact NH2-CB 3.3Å; R157-L160 WeakPolarHBondContact O-CB 3.41Å; R157-L160 PolarHBondContact O-N 3.28Å; W158-L160 VanDerWaalsContact C-N 3.34Å; W158-L160 PolarHBondContact O-N 3.14Å; L160-V166 HydrophobicContact CD2-CG1 4.05Å; L160-Q167 WeakPolarHBondContact O-CG 3.24Å; L160-Q167 PolarHBondContact O-NE2 3.46Å; L160-V170 HydrophobicContact CD2-CB 4.46Å; L160-V170 HydrophobicContact CD2-CG2 3.72Å; L160-V227 HydrophobicContact CD1-CG2 4.19Å
161D98Very high98.3Very high83 Ų8337.1 Ų37.144%0.44419%0.192SC..Hα-helixtrans-86.3-30179-71.1-31.4000113.4R157 W158 L159 Q167R157-D161 IonicContact CZ-OD1 3.51Å; R157-D161 VanDerWaalsContact CZ-OD1 3.25Å; R157-D161 IonicContact CZ-OD2 2.89Å; R157-D161 VanDerWaalsContact NE-CG 3.25Å; R157-D161 IonicContact NE-OD1 3.26Å; R157-D161 PolarHBondContact NE-OD1 3.17Å; R157-D161 VanDerWaalsContact NE-OD1 3.13Å; R157-D161 IonicContact NE-OD2 3.48Å; R157-D161 PolarHBondContact NE-OD2 3.1Å; R157-D161 IonicContact NH2-OD1 3.38Å; R157-D161 PolarHBondContact NH2-OD1 3.1Å; R157-D161 IonicContact NH2-OD2 3.75Å; R157-D161 PolarHBondContact O-N 3.22Å; W158-D161 PolarHBondContact O-N 3.2Å; W158-D161 VanDerWaalsContact O-N 3.15Å; L159-D161 PolarHBondContact O-N 3.46Å; D161-Q167 PolarHBondContact O-NE2 3.46Å
162N98.1Very high98.4Very high96 Ų9640.2 Ų40.251%0.51321%0.214SC..Hα-helixtrans-118.9-15-164.6-64.7-91.1000115.1W158 L159W158-N162 HydrophobicContact CD2-CB 4.2Å; W158-N162 HydrophobicContact CE3-CB 4.36Å; W158-N162 HydrophobicContact CH2-CB 4Å; W158-N162 HydrophobicContact CZ2-CB 3.8Å; W158-N162 HydrophobicContact CZ3-CB 4.28Å; W158-N162 PolarHBondContact NE1-ND2 3.46Å; W158-N162 WeakPolarHBondContact O-CB 3.34Å; W158-N162 PolarHBondContact O-N 3.02Å; W158-N162 PolarHBondContact O-ND2 3.34Å; L159-N162 PolarHBondContact O-N 3.4Å
163V98.4Very high98.3Very high7 Ų745.6 Ų45.64%0.04224%0.239CC..  trans-114.2109.6-176.6-174.90000110.1Y110 W158 L159 E165 V166 Q167Y110-V163 HydrophobicContact CD2-CG1 4.07Å; Y110-V163 HydrophobicContact CD2-CG2 3.73Å; Y110-V163 HydrophobicContact CE2-CG2 4.04Å; Y110-V163 HydrophobicContact CG-CG2 4.1Å; W158-V163 HydrophobicContact CZ3-CG2 4.06Å; L159-V163 HydrophobicContact CD2-CG2 3.71Å; L159-V163 WeakPolarHBondContact O-CB 3.18Å; L159-V163 PolarHBondContact O-N 2.9Å; V163-E165 VanDerWaalsContact C-N 3.32Å; V163-E165 HydrophobicContact CG1-CB 4.38Å; V163-E165 WeakPolarHBondContact CG1-OE2 3.37Å; V163-E165 PolarHBondContact O-N 3.32Å; V163-V166 HydrophobicContact CB-CB 4.09Å; V163-V166 HydrophobicContact CB-CG2 3.92Å; V163-V166 HydrophobicContact CG1-CB 4.2Å; V163-V166 HydrophobicContact CG1-CG2 3.74Å; V163-V166 WeakPolarHBondContact O-CB 3.18Å; V163-V166 PolarHBondContact O-N 2.77Å; V163-Q167 PolarHBondContact O-N 3.31Å; V163-Q167 VanDerWaalsContact O-N 3.12Å
164E98.4Very high98.3Very high119 Ų11948.4 Ų48.456%0.55625%0.249SC*.Hα-helixtrans-61.9-40.2-175-168-176.9163.500111.7V166 Q167 Q168E164-V166 VanDerWaalsContact C-N 3.27Å; E164-V166 PolarHBondContact O-N 3.49Å; E164-Q167 WeakPolarHBondContact O-CB 3.33Å; E164-Q167 PolarHBondContact O-N 2.89Å; E164-Q167 VanDerWaalsContact O-N 3.11Å; E164-Q168 HydrophobicContact CG-CG 4.36Å; E164-Q168 WeakPolarHBondContact O-CG 3.4Å; E164-Q168 PolarHBondContact O-N 3.36Å; E164-Q168 PolarHBondContact OE1-NE2 2.83Å
165E98.3Very high98.3Very high108 Ų10848.5 Ų48.551%0.50525%0.251SS..Hα-helixtrans-61.1-37.6178.7-63.985169.900111.7L109 V163 A169L109-E165 HydrophobicContact CD2-CB 4.25Å; V163-E165 VanDerWaalsContact C-N 3.32Å; V163-E165 HydrophobicContact CG1-CB 4.38Å; V163-E165 WeakPolarHBondContact CG1-OE2 3.37Å; V163-E165 PolarHBondContact O-N 3.32Å; E165-A169 VanDerWaalsContact O-CB 3.27Å; E165-A169 WeakPolarHBondContact O-CB 3.45Å; E165-A169 PolarHBondContact O-N 3.32Å
166V98.6Very high98.3Very high0 Ų049.9 Ų49.90%026%0.257CS..Hα-helixtrans-67.2-45.5174.5171.80000110.4V100 L109 L159 L160 V163 E164 Q168 A169 V170V100-V166 HydrophobicContact CB-CG2 4.37Å; V100-V166 HydrophobicContact CG1-CG1 4.11Å; V100-V166 HydrophobicContact CG1-CG2 4.2Å; L109-V166 HydrophobicContact CB-CG2 3.78Å; L109-V166 HydrophobicContact CD1-CG2 4.45Å; L159-V166 HydrophobicContact CB-CG1 4.38Å; L160-V166 HydrophobicContact CD2-CG1 4.05Å; V163-V166 HydrophobicContact CB-CB 4.09Å; V163-V166 HydrophobicContact CB-CG2 3.92Å; V163-V166 HydrophobicContact CG1-CB 4.2Å; V163-V166 HydrophobicContact CG1-CG2 3.74Å; V163-V166 WeakPolarHBondContact O-CB 3.18Å; V163-V166 PolarHBondContact O-N 2.77Å; E164-V166 VanDerWaalsContact C-N 3.27Å; E164-V166 PolarHBondContact O-N 3.49Å; V166-Q168 PolarHBondContact O-N 3.3Å; V166-A169 PolarHBondContact O-N 3.31Å; V166-V170 HydrophobicContact CG1-CG2 4.38Å; V166-V170 WeakPolarHBondContact O-CB 3.31Å; V166-V170 VanDerWaalsContact O-CG2 3.26Å; V166-V170 WeakPolarHBondContact O-CG2 3.41Å; V166-V170 PolarHBondContact O-N 3.32Å
167Q98.4Very high98.3Very high84 Ų8450 Ų5039%0.39326%0.258SS..Hα-helixtrans-59.1-48.3177.3-67.5172.29.100111.7L160 D161 V163 E164 A169 V170 A171L160-Q167 WeakPolarHBondContact O-CG 3.24Å; L160-Q167 PolarHBondContact O-NE2 3.46Å; D161-Q167 PolarHBondContact O-NE2 3.46Å; V163-Q167 PolarHBondContact O-N 3.31Å; V163-Q167 VanDerWaalsContact O-N 3.12Å; E164-Q167 WeakPolarHBondContact O-CB 3.33Å; E164-Q167 PolarHBondContact O-N 2.89Å; E164-Q167 VanDerWaalsContact O-N 3.11Å; Q167-A169 PolarHBondContact O-N 3.3Å; Q167-V170 PolarHBondContact O-N 2.97Å; Q167-A171 WeakPolarHBondContact O-CB 3.4Å; Q167-A171 PolarHBondContact O-N 2.87Å
168Q98.3Very high98.3Very high95 Ų9547.6 Ų47.644%0.44425%0.249SC..Hα-helixtrans-62.2-41.9178.8-69.1178.911.300111.7E164 V166 S172E164-Q168 HydrophobicContact CG-CG 4.36Å; E164-Q168 WeakPolarHBondContact O-CG 3.4Å; E164-Q168 PolarHBondContact O-N 3.36Å; E164-Q168 PolarHBondContact OE1-NE2 2.83Å; V166-Q168 PolarHBondContact O-N 3.3Å; Q168-S172 VanDerWaalsContact O-CB 3.27Å; Q168-S172 WeakPolarHBondContact O-CB 3.34Å; Q168-S172 PolarHBondContact O-N 2.9Å; Q168-S172 PolarHBondContact O-OG 2.81Å
169A98.4Very high98.3Very high0 Ų046.7 Ų46.70%025%0.245CC..Hα-helixtrans-66.4-38.7177.500000112.4L109 E165 V166 Q167 S172 H173 R174 A175L109-A169 HydrophobicContact CD1-CB 3.37Å; E165-A169 VanDerWaalsContact O-CB 3.27Å; E165-A169 WeakPolarHBondContact O-CB 3.45Å; E165-A169 PolarHBondContact O-N 3.32Å; V166-A169 PolarHBondContact O-N 3.31Å; Q167-A169 PolarHBondContact O-N 3.3Å; A169-S172 PolarHBondContact O-N 2.81Å; A169-H173 PolarHBondContact O-N 3.4Å; A169-R174 HydrophobicContact CB-CB 4.45Å; A169-R174 PolarHBondContact O-N 3.4Å; A169-A175 HydrophobicContact CB-CB 3.89Å; A169-A175 PolarHBondContact O-N 2.99Å; A169-A175 VanDerWaalsContact O-N 3.12Å
170V98.2Very high98.4Very high22 Ų2246.6 Ų46.613%0.13325%0.245CC..Hα-helixtrans-66.3-48.3175.4169.40000111L160 V166 Q167 S172 H173 A175 P228 I231L160-V170 HydrophobicContact CD2-CB 4.46Å; L160-V170 HydrophobicContact CD2-CG2 3.72Å; V166-V170 HydrophobicContact CG1-CG2 4.38Å; V166-V170 WeakPolarHBondContact O-CB 3.31Å; V166-V170 VanDerWaalsContact O-CG2 3.26Å; V166-V170 WeakPolarHBondContact O-CG2 3.41Å; V166-V170 PolarHBondContact O-N 3.32Å; Q167-V170 PolarHBondContact O-N 2.97Å; V170-S172 PolarHBondContact O-N 3.41Å; V170-H173 PolarHBondContact O-N 3.34Å; V170-A175 HydrophobicContact CB-CB 4.41Å; V170-A175 HydrophobicContact CG2-CB 3.58Å; V170-P228 HydrophobicContact CG1-CG 3.71Å; V170-I231 HydrophobicContact CG2-CG2 4.36Å
171A97.7Very high98.4Very high81 Ų8146 Ų4667%0.66924%0.242SC*.Hα-helixtrans-60.8-31.3177.700000112.4Q167 H173Q167-A171 WeakPolarHBondContact O-CB 3.4Å; Q167-A171 PolarHBondContact O-N 2.87Å; A171-H173 VanDerWaalsContact C-N 3.34Å
172S97.8Very high98.4Very high65 Ų6542 Ų4246%0.45522%0.221SC..THydrogen-bonded Turntrans-88.35.3177.3-51.90000113.9Q168 A169 V170 R174Q168-S172 VanDerWaalsContact O-CB 3.27Å; Q168-S172 WeakPolarHBondContact O-CB 3.34Å; Q168-S172 PolarHBondContact O-N 2.9Å; Q168-S172 PolarHBondContact O-OG 2.81Å; A169-S172 PolarHBondContact O-N 2.81Å; V170-S172 PolarHBondContact O-N 3.41Å; S172-R174 PolarHBondContact O-N 2.95Å
173H97.8Very high98.5Very high112 Ų11237.7 Ų37.752%0.51920%0.197SC..THydrogen-bonded Turntrans53.232.2-173.8-64.1-70.6000114.5K103 A169 V170 A171 H230K103-H173 WeakPolarHBondContact CE-O 3.23Å; K103-H173 PolarHBondContact NZ-O 2.79Å; A169-H173 PolarHBondContact O-N 3.4Å; V170-H173 PolarHBondContact O-N 3.34Å; A171-H173 VanDerWaalsContact C-N 3.34Å; H173-H230 AromaticContact CE1-CE1 3.6Å; H173-H230 AromaticContact CE1-ND1 3.91Å; H173-H230 AromaticContact CE1-NE2 3.83Å; H173-H230 AromaticContact ND1-CD2 3.46Å; H173-H230 PolarHBondContact ND1-CD2 2.73Å; H173-H230 AromaticContact ND1-CE1 3.37Å; H173-H230 PolarHBondContact ND1-CE1 2.99Å; H173-H230 AromaticContact ND1-CG 3.84Å; H173-H230 AromaticContact ND1-ND1 3.78Å; H173-H230 AromaticContact ND1-NE2 3.12Å; H173-H230 PolarHBondContact ND1-NE2 3.05Å; H173-H230 VanDerWaalsContact ND1-NE2 3.12Å
174R97.9Very high98.5Very high59 Ų5937.3 Ų37.322%0.22320%0.195CC..  trans-101.6-23177.9-68.5-173.9-68.597.91.5113.4D102 K103 L104 A169 S172D102-R174 VanDerWaalsContact CG-NH1 3.33Å; D102-R174 IonicContact OD1-NH1 3.87Å; D102-R174 IonicContact OD2-CZ 3.84Å; D102-R174 IonicContact OD2-NH1 3.72Å; D102-R174 PolarHBondContact OD2-NH1 2.66Å; K103-R174 WeakPolarHBondContact CG-O 3.48Å; K103-R174 PolarHBondContact N-O 2.88Å; L104-R174 VanDerWaalsContact CD1-CD 3.42Å; L104-R174 HydrophobicContact CD1-CG 3.72Å; L104-R174 HydrophobicContact CG-CG 4.04Å; A169-R174 HydrophobicContact CB-CB 4.45Å; A169-R174 PolarHBondContact O-N 3.4Å; S172-R174 PolarHBondContact O-N 2.95Å
175A98.6Very high98.5Very high3 Ų331.7 Ų31.73%0.02517%0.169CC..EExtended strand (participates in β ladder)trans-67.8141.6-178.600000112.6V100 W101 A169 V170 I231V100-A175 HydrophobicContact CG1-CB 4.37Å; W101-A175 CarbonylContact O-C 3.39Å; W101-A175 WeakPolarHBondContact O-CA 3.13Å; A169-A175 HydrophobicContact CB-CB 3.89Å; A169-A175 PolarHBondContact O-N 2.99Å; A169-A175 VanDerWaalsContact O-N 3.12Å; V170-A175 HydrophobicContact CB-CB 4.41Å; V170-A175 HydrophobicContact CG2-CB 3.58Å; A175-I231 HydrophobicContact CB-CG2 4.04Å; A175-I231 WeakPolarHBondContact O-CG2 3.29Å
176M98.8Very high98.5Very high29 Ų2927 Ų2714%0.14315%0.146CC..EExtended strand (participates in β ladder)trans-123.1139.5163.3-77.6178170.600108.5V100 W101 K103 H197V100-M176 VanDerWaalsContact CA-O 3.3Å; V100-M176 WeakPolarHBondContact CA-O 3.17Å; V100-M176 WeakPolarHBondContact CG1-O 3.24Å; W101-M176 HydrophobicContact CD2-CB 3.83Å; W101-M176 HydrophobicContact CE3-CB 4.36Å; W101-M176 HydrophobicContact CG-CB 4.32Å; W101-M176 HydrophobicContact CH2-CB 4.12Å; W101-M176 HydrophobicContact CZ2-CB 3.54Å; W101-M176 HydrophobicContact CZ2-CG 4.32Å; W101-M176 HydrophobicContact CZ2-SD 3.94Å; W101-M176 PolarHBondContact N-O 3.3Å; W101-M176 PolarHBondContact NE1-SD 3.01Å; W101-M176 PolarHBondContact O-N 3.38Å; K103-M176 HydrophobicContact CB-CE 3.54Å; K103-M176 HydrophobicContact CB-CG 3.93Å; K103-M176 HydrophobicContact CB-SD 3.56Å; K103-M176 VanDerWaalsContact CB-SD 3.56Å; K103-M176 HydrophobicContact CD-CE 3.93Å; K103-M176 HydrophobicContact CG-CE 4.37Å; M176-H197 HydrophobicContact CE-CB 3.98Å; M176-H197 HydrophobicContact SD-CB 4.16Å
177F98.8Very high98.5Very high1 Ų127.5 Ų27.50%0.00415%0.15CC..EExtended strand (participates in β ladder)trans-109.5150.1171.9156.3-95.9000109.8T98 V100 L156 H197 T207 I231 L232 P233T98-F177 HydrophobicContact CG2-CD2 3.95Å; T98-F177 HydrophobicContact CG2-CE2 3.61Å; V100-F177 HydrophobicContact CG2-CD2 4.39Å; L156-F177 HydrophobicContact CB-CD2 4.39Å; L156-F177 HydrophobicContact CB-CE2 4.3Å; L156-F177 HydrophobicContact CD1-CB 4.38Å; L156-F177 HydrophobicContact CD1-CD2 3.85Å; L156-F177 HydrophobicContact CD1-CG 4.34Å; L156-F177 HydrophobicContact CD2-CB 4.32Å; L156-F177 HydrophobicContact CD2-CD1 4.23Å; L156-F177 HydrophobicContact CD2-CD2 3.67Å; L156-F177 HydrophobicContact CD2-CE2 3.97Å; L156-F177 HydrophobicContact CD2-CG 3.79Å; L156-F177 HydrophobicContact CD2-CZ 4.39Å; L156-F177 HydrophobicContact CG-CD2 4.18Å; F177-H197 PolarHBondContact O-NE2 3.49Å; F177-T207 HydrophobicContact CE1-CG2 4.45Å; F177-T207 HydrophobicContact CZ-CG2 4.29Å; F177-I231 HydrophobicContact CB-CB 4.5Å; F177-I231 HydrophobicContact CB-CD1 3.93Å; F177-I231 HydrophobicContact CB-CG1 3.99Å; F177-I231 PolarHBondContact N-O 3.26Å; F177-L232 HydrophobicContact CD1-CD2 3.57Å; F177-L232 HydrophobicContact CE1-CD2 3.99Å; F177-L232 HydrophobicContact CG-CD2 4.48Å; F177-P233 WeakPolarHBondContact O-CD 3.39Å
178G98.7Very high98.5Very high0 Ų023.7 Ų23.70%013%0.132CC..EExtended strand (participates in β ladder)trans-165.3155.9169.900000112.3V99V99-G178 PolarHBondContact N-O 3.25Å; V99-G178 PolarHBondContact O-N 2.99Å
179T98.9Very high98.5Very high2 Ų219.2 Ų19.21%0.01211%0.111CC..EExtended strand (participates in β ladder)trans-69.4172.6153.640.50000109.9T97 D181 S182 W183 T207T97-T179 WeakPolarHBondContact O-CA 3.25Å; T179-D181 VanDerWaalsContact C-N 3.31Å; T179-D181 WeakPolarHBondContact CB-OD1 3.15Å; T179-D181 PolarHBondContact O-N 3.21Å; T179-D181 PolarHBondContact OG1-OD1 3.48Å; T179-S182 PolarHBondContact O-N 2.76Å; T179-W183 PolarHBondContact O-N 3.31Å; T179-W183 VanDerWaalsContact O-N 3.14Å; T179-T207 HydrophobicContact CG2-CG2 4.38Å
180I98.8Very high98.5Very high0 Ų020.2 Ų20.20%012%0.121CC..Hα-helixtrans-57.9-40-173.7-64.3-64.2000113Q19 I61 N93 Q94 T97 V99 S182 W183 L184Q19-I180 HydrophobicContact CB-CG2 4.14Å; Q19-I180 HydrophobicContact CG-CG2 3.82Å; I61-I180 HydrophobicContact CD1-CD1 3.81Å; N93-I180 HydrophobicContact CB-CB 3.91Å; N93-I180 HydrophobicContact CB-CG2 3.88Å; Q94-I180 HydrophobicContact CG-CG1 4.1Å; T97-I180 HydrophobicContact CG2-CD1 3.76Å; T97-I180 HydrophobicContact CG2-CG1 3.84Å; V99-I180 HydrophobicContact CG2-CD1 3.8Å; I180-S182 VanDerWaalsContact C-N 3.28Å; I180-S182 PolarHBondContact O-N 3.04Å; I180-W183 WeakPolarHBondContact O-CB 3.21Å; I180-W183 PolarHBondContact O-N 2.98Å; I180-L184 HydrophobicContact CG2-CD1 3.82Å; I180-L184 HydrophobicContact CG2-CG 3.95Å; I180-L184 WeakPolarHBondContact O-CG 3.42Å; I180-L184 PolarHBondContact O-N 2.71Å
181D98.9Very high98.4Very high0 Ų019.6 Ų19.60%012%0.12CC..Hα-helixtrans-53.6-46173.656.8-47.2000112.4V91 N93 T179 W183 L184 I185 T199 N203 C258V91-D181 HydrophobicContact CG1-CB 4.36Å; N93-D181 WeakPolarHBondContact OD1-CB 3.47Å; T179-D181 VanDerWaalsContact C-N 3.31Å; T179-D181 WeakPolarHBondContact CB-OD1 3.15Å; T179-D181 PolarHBondContact O-N 3.21Å; T179-D181 PolarHBondContact OG1-OD1 3.48Å; D181-W183 VanDerWaalsContact C-N 3.34Å; D181-W183 PolarHBondContact O-N 3.47Å; D181-L184 PolarHBondContact O-N 3.33Å; D181-I185 WeakPolarHBondContact O-CB 3.48Å; D181-I185 WeakPolarHBondContact O-CG1 3.17Å; D181-I185 PolarHBondContact O-N 2.97Å; D181-T199 VanDerWaalsContact OD2-CA 3.29Å; D181-T199 WeakPolarHBondContact OD2-CA 3.49Å; D181-T199 VanDerWaalsContact OD2-CB 3.29Å; D181-T199 WeakPolarHBondContact OD2-CB 3.26Å; D181-T199 PolarHBondContact OD2-OG1 2.89Å; D181-N203 VanDerWaalsContact CG-CG 3.48Å; D181-N203 VanDerWaalsContact CG-ND2 3.33Å; D181-N203 VanDerWaalsContact OD1-CG 3.3Å; D181-C258 WeakPolarHBondContact CB-SG 3.36Å
182S98.9Very high98.3Very high0 Ų022.2 Ų22.20%012%0.116CC..Hα-helixtrans-67.9-35.7-178.7179.60000112.2T179 I180 W186 H197 C198T179-S182 PolarHBondContact O-N 2.76Å; I180-S182 VanDerWaalsContact C-N 3.28Å; I180-S182 PolarHBondContact O-N 3.04Å; S182-W186 WeakPolarHBondContact O-CB 3.26Å; S182-W186 PolarHBondContact O-N 2.93Å; S182-W186 VanDerWaalsContact O-N 3.1Å; S182-H197 PolarHBondContact OG-CD2 2.93Å; S182-C198 VanDerWaalsContact CA-O 3.24Å; S182-C198 WeakPolarHBondContact CA-O 3.1Å; S182-C198 VanDerWaalsContact CB-O 3.25Å; S182-C198 WeakPolarHBondContact CB-O 3.3Å; S182-C198 PolarHBondContact OG-O 3.02Å
183W98.9Very high98.2Very high4 Ų424.2 Ų24.22%0.01513%0.13CC..Hα-helixtrans-63.4-50.6172.6169.5-117.9000110.8P58 L62 V99 W101 P108 T179 I180 D181 W186 C187P58-W183 HydrophobicContact CB-CZ2 4.1Å; P58-W183 PolarHBondContact O-NE1 2.85Å; L62-W183 HydrophobicContact CD2-CZ2 4.46Å; V99-W183 HydrophobicContact CG1-CD2 4.36Å; V99-W183 HydrophobicContact CG1-CE3 4.44Å; V99-W183 HydrophobicContact CG1-CG 4.45Å; V99-W183 HydrophobicContact CG2-CB 4.44Å; W101-W183 HydrophobicContact CB-CE3 4.39Å; W101-W183 HydrophobicContact CB-CZ3 3.83Å; W101-W183 AromaticContact CD1-CZ3 3.94Å; W101-W183 AromaticContact CD2-CE3 3.71Å; W101-W183 HydrophobicContact CD2-CE3 3.71Å; W101-W183 AromaticContact CD2-CZ3 3.9Å; W101-W183 HydrophobicContact CD2-CZ3 3.9Å; W101-W183 AromaticContact CE3-CE3 3.84Å; W101-W183 HydrophobicContact CE3-CE3 3.84Å; W101-W183 HydrophobicContact CE3-CZ3 4.41Å; W101-W183 AromaticContact CG-CE3 3.97Å; W101-W183 HydrophobicContact CG-CE3 3.97Å; W101-W183 AromaticContact CG-CZ3 3.63Å; W101-W183 HydrophobicContact CG-CZ3 3.63Å; W101-W183 HydrophobicContact CZ3-CB 4.44Å; W101-W183 HydrophobicContact CZ3-CE3 4.35Å; P108-W183 HydrophobicContact CG-CH2 3.89Å; P108-W183 HydrophobicContact CG-CZ2 4.06Å; T179-W183 PolarHBondContact O-N 3.31Å; T179-W183 VanDerWaalsContact O-N 3.14Å; I180-W183 WeakPolarHBondContact O-CB 3.21Å; I180-W183 PolarHBondContact O-N 2.98Å; D181-W183 VanDerWaalsContact C-N 3.34Å; D181-W183 PolarHBondContact O-N 3.47Å; W183-W186 HydrophobicContact CE3-CE3 4.21Å; W183-W186 HydrophobicContact CH2-CZ3 4.42Å; W183-W186 AromaticContact CZ3-CE3 3.9Å; W183-W186 HydrophobicContact CZ3-CE3 3.9Å; W183-W186 AromaticContact CZ3-CZ3 3.89Å; W183-W186 HydrophobicContact CZ3-CZ3 3.89Å; W183-W186 PolarHBondContact O-N 3.27Å; W183-C187 VanDerWaalsContact CE2-SG 3.57Å; W183-C187 VanDerWaalsContact CH2-SG 3.54Å; W183-C187 VanDerWaalsContact CZ2-SG 3.51Å; W183-C187 PolarHBondContact O-N 3.38Å; W183-C187 PolarHBondContact O-SG 3.26Å
184L98.8Very high98Very high0 Ų024 Ų240%013%0.133CC..Hα-helixtrans-62.7-48.4-179.2-68.3-177.9000112.1I17 Q19 I61 L62 V65 V91 I180 D181 W186 C187 L188I17-L184 HydrophobicContact CG2-CD1 4.29Å; Q19-L184 HydrophobicContact CB-CD1 3.95Å; Q19-L184 HydrophobicContact CG-CD1 4.17Å; I61-L184 HydrophobicContact CG2-CD2 4.2Å; L62-L184 HydrophobicContact CD1-CD2 4.3Å; V65-L184 HydrophobicContact CG2-CD1 4.27Å; V65-L184 HydrophobicContact CG2-CD2 3.85Å; V91-L184 HydrophobicContact CG1-CD1 4.16Å; I180-L184 HydrophobicContact CG2-CD1 3.82Å; I180-L184 HydrophobicContact CG2-CG 3.95Å; I180-L184 WeakPolarHBondContact O-CG 3.42Å; I180-L184 PolarHBondContact O-N 2.71Å; D181-L184 PolarHBondContact O-N 3.33Å; L184-W186 VanDerWaalsContact C-N 3.31Å; L184-W186 PolarHBondContact O-N 2.93Å; L184-C187 PolarHBondContact O-N 3.36Å; L184-L188 HydrophobicContact CB-CD1 4.36Å; L184-L188 VanDerWaalsContact O-CB 3.23Å; L184-L188 WeakPolarHBondContact O-CB 3.31Å; L184-L188 WeakPolarHBondContact O-CD1 3.32Å; L184-L188 WeakPolarHBondContact O-CG 3.45Å; L184-L188 PolarHBondContact O-N 2.77Å
185I98.8Very high98Very high0 Ų022 Ų220%013%0.13CC..Hα-helixtrans-60.1-45178.7-67166.1000109.9V91 D181 C187 L188 T189 Y242 I255 C258V91-I185 HydrophobicContact CG2-CG1 4.44Å; D181-I185 WeakPolarHBondContact O-CB 3.48Å; D181-I185 WeakPolarHBondContact O-CG1 3.17Å; D181-I185 PolarHBondContact O-N 2.97Å; I185-C187 PolarHBondContact O-N 3.21Å; I185-L188 PolarHBondContact O-N 2.89Å; I185-T189 HydrophobicContact CG2-CG2 4.19Å; I185-T189 WeakPolarHBondContact O-CB 3.23Å; I185-T189 VanDerWaalsContact O-CG2 3.29Å; I185-T189 WeakPolarHBondContact O-CG2 3.39Å; I185-T189 PolarHBondContact O-N 3.25Å; I185-T189 PolarHBondContact O-OG1 2.78Å; I185-Y242 HydrophobicContact CD1-CD1 4.3Å; I185-Y242 HydrophobicContact CD1-CG 4.41Å; I185-I255 HydrophobicContact CG1-CG2 4.36Å; I185-C258 HydrophobicContact CD1-CB 4.26Å
186W98.8Very high98Very high9 Ų924.3 Ų24.33%0.03414%0.142CC..Hα-helixtrans-60.1-48.2178.8-178.885000111.8W101 G106 S182 W183 L184 T189 G191 K192 G195 I196W101-W186 HydrophobicContact CZ2-CB 4.06Å; W101-W186 HydrophobicContact CZ2-CD2 4.21Å; W101-W186 AromaticContact CZ2-CG 3.9Å; W101-W186 HydrophobicContact CZ2-CG 3.9Å; W101-W186 AromaticContact NE1-CD2 3.4Å; W101-W186 AromaticContact NE1-CE2 3.45Å; W101-W186 AromaticContact NE1-CE3 3.61Å; W101-W186 AromaticContact NE1-CG 3.96Å; W101-W186 AromaticContact NE1-CZ2 3.74Å; W101-W186 AromaticContact NE1-CZ3 3.92Å; W101-W186 AromaticContact NE1-NE1 3.98Å; G106-W186 VanDerWaalsContact CA-CH2 3.46Å; S182-W186 WeakPolarHBondContact O-CB 3.26Å; S182-W186 PolarHBondContact O-N 2.93Å; S182-W186 VanDerWaalsContact O-N 3.1Å; W183-W186 HydrophobicContact CE3-CE3 4.21Å; W183-W186 HydrophobicContact CH2-CZ3 4.42Å; W183-W186 AromaticContact CZ3-CE3 3.9Å; W183-W186 HydrophobicContact CZ3-CE3 3.9Å; W183-W186 AromaticContact CZ3-CZ3 3.89Å; W183-W186 HydrophobicContact CZ3-CZ3 3.89Å; W183-W186 PolarHBondContact O-N 3.27Å; L184-W186 VanDerWaalsContact C-N 3.31Å; L184-W186 PolarHBondContact O-N 2.93Å; W186-T189 PolarHBondContact O-OG1 3.48Å; W186-G191 VanDerWaalsContact CH2-CA 3.41Å; W186-G191 WeakPolarHBondContact CZ2-O 3.45Å; W186-G191 VanDerWaalsContact O-CA 3.32Å; W186-G191 WeakPolarHBondContact O-CA 3.32Å; W186-G191 PolarHBondContact O-N 2.92Å; W186-K192 HydrophobicContact CH2-CB 4.28Å; W186-K192 HydrophobicContact CZ2-CB 4.42Å; W186-G195 VanDerWaalsContact O-CA 3.29Å; W186-G195 WeakPolarHBondContact O-CA 3.35Å; W186-I196 WeakPolarHBondContact CA-O 3.21Å
187C98.7Very high98Very high12 Ų1224.5 Ų24.58%0.08114%0.142CC..Hα-helixtrans-62.4-50.8178-70.30000112.4L62 W183 L184 I185 T189 G190 G191L62-C187 HydrophobicContact CD1-CB 3.57Å; L62-C187 HydrophobicContact CD2-CB 3.79Å; L62-C187 HydrophobicContact CG-CB 4.34Å; W183-C187 VanDerWaalsContact CE2-SG 3.57Å; W183-C187 VanDerWaalsContact CH2-SG 3.54Å; W183-C187 VanDerWaalsContact CZ2-SG 3.51Å; W183-C187 PolarHBondContact O-N 3.38Å; W183-C187 PolarHBondContact O-SG 3.26Å; L184-C187 PolarHBondContact O-N 3.36Å; I185-C187 PolarHBondContact O-N 3.21Å; C187-T189 VanDerWaalsContact C-N 3.27Å; C187-T189 PolarHBondContact O-N 2.96Å; C187-G190 PolarHBondContact O-N 3.18Å; C187-G191 PolarHBondContact O-N 3.24Å
188L98.6Very high98Very high4 Ų424.5 Ų24.52%0.02114%0.142CC..Hα-helixtrans-69.1-24.4-173.4-67.9171.7000113.2I17 V65 Y66 L184 I185 L245 K246 I255I17-L188 HydrophobicContact CD1-CD1 3.66Å; V65-L188 HydrophobicContact CG1-CD1 4.37Å; V65-L188 HydrophobicContact CG1-CD2 4.37Å; Y66-L188 HydrophobicContact CD1-CD2 4.34Å; Y66-L188 HydrophobicContact CE1-CD2 3.62Å; L184-L188 HydrophobicContact CB-CD1 4.36Å; L184-L188 VanDerWaalsContact O-CB 3.23Å; L184-L188 WeakPolarHBondContact O-CB 3.31Å; L184-L188 WeakPolarHBondContact O-CD1 3.32Å; L184-L188 WeakPolarHBondContact O-CG 3.45Å; L184-L188 PolarHBondContact O-N 2.77Å; I185-L188 PolarHBondContact O-N 2.89Å; L188-L245 HydrophobicContact CB-CD2 3.89Å; L188-L245 HydrophobicContact CD1-CD2 4.32Å; L188-L245 HydrophobicContact CD2-CD2 3.99Å; L188-L245 HydrophobicContact CG-CD2 4.29Å; L188-K246 PolarHBondContact O-N 3.32Å; L188-I255 HydrophobicContact CB-CD1 3.79Å; L188-I255 HydrophobicContact CD1-CD1 4.17Å
189T98.5Very high98Very high1 Ų124.5 Ų24.51%0.00614%0.142CC..THydrogen-bonded Turntrans-92.43.3177.757.50000114.2I185 W186 C187 I196 K246 I255I185-T189 HydrophobicContact CG2-CG2 4.19Å; I185-T189 WeakPolarHBondContact O-CB 3.23Å; I185-T189 VanDerWaalsContact O-CG2 3.29Å; I185-T189 WeakPolarHBondContact O-CG2 3.39Å; I185-T189 PolarHBondContact O-N 3.25Å; I185-T189 PolarHBondContact O-OG1 2.78Å; W186-T189 PolarHBondContact O-OG1 3.48Å; C187-T189 VanDerWaalsContact C-N 3.27Å; C187-T189 PolarHBondContact O-N 2.96Å; T189-I196 HydrophobicContact CG2-CD1 4.39Å; T189-I196 PolarHBondContact OG1-N 2.64Å; T189-K246 WeakPolarHBondContact O-CE 3.46Å; T189-K246 WeakPolarHBondContact O-CG 3.45Å; T189-I255 HydrophobicContact CG2-CD1 4.03Å
190G96.9Very high98Very high20 Ų2024.4 Ų24.421%0.20614%0.142CC..THydrogen-bonded Turntrans131-2.1170.500000115.7C187 K192 S193C187-G190 PolarHBondContact O-N 3.18Å; G190-K192 PolarHBondContact O-N 2.81Å; G190-S193 WeakPolarHBondContact O-CB 3.24Å; G190-S193 PolarHBondContact O-N 3.26Å
191G97.2Very high98Very high10 Ų1024.7 Ų24.710%0.10314%0.143CC..THydrogen-bonded Turntrans52.1-129.517600000113W186 C187 S193 D194 G195W186-G191 VanDerWaalsContact CH2-CA 3.41Å; W186-G191 WeakPolarHBondContact CZ2-O 3.45Å; W186-G191 VanDerWaalsContact O-CA 3.32Å; W186-G191 WeakPolarHBondContact O-CA 3.32Å; W186-G191 PolarHBondContact O-N 2.92Å; C187-G191 PolarHBondContact O-N 3.24Å; G191-S193 PolarHBondContact O-N 2.68Å; G191-D194 PolarHBondContact O-N 3.5Å; G191-G195 WeakPolarHBondContact O-CA 3.34Å; G191-G195 PolarHBondContact O-N 2.9Å
192K96.2Very high98Very high136 Ų13624.7 Ų24.759%0.59114%0.143SC*.THydrogen-bonded Turntrans-61.7-16-178.769.5-170.8179.7-173.40114.8T105 W186 G190T105-K192 VanDerWaalsContact O-CD 3.25Å; T105-K192 WeakPolarHBondContact O-CD 3.38Å; W186-K192 HydrophobicContact CH2-CB 4.28Å; W186-K192 HydrophobicContact CZ2-CB 4.42Å; G190-K192 PolarHBondContact O-N 2.81Å
193S94.9Very high98Very high106 Ų10624.7 Ų24.774%0.74114%0.143SC*.THydrogen-bonded Turntrans-82.8-48.7-179.4-48.30000111.4G190 G191G190-S193 WeakPolarHBondContact O-CB 3.24Å; G190-S193 PolarHBondContact O-N 3.26Å; G191-S193 PolarHBondContact O-N 2.68Å
194D93.1Very high98Very high109 Ų10924.5 Ų24.558%0.58314%0.142SC*.THydrogen-bonded Turntrans-162.427.2-172.9-158.420.4000112.4G191 I196 K246G191-D194 PolarHBondContact O-N 3.5Å; D194-I196 PolarHBondContact O-N 3.5Å; D194-K246 IonicContact OD2-NZ 2.7Å
195G97.6Very high98Very high16 Ų1624.5 Ų24.517%0.16514%0.143CC..  trans-65.8130.6-176.100000111.9W186 G191 H197W186-G195 VanDerWaalsContact O-CA 3.29Å; W186-G195 WeakPolarHBondContact O-CA 3.35Å; G191-G195 WeakPolarHBondContact O-CA 3.34Å; G191-G195 PolarHBondContact O-N 2.9Å; G195-H197 PolarHBondContact O-N 3.41Å
196I98.6Very high97.9Very high52 Ų5224.6 Ų24.627%0.26714%0.143SC..  trans-84.8114.3-178.3-58.2178.8000108.8W186 T189 D194 C198 Y242W186-I196 WeakPolarHBondContact CA-O 3.21Å; T189-I196 HydrophobicContact CG2-CD1 4.39Å; T189-I196 PolarHBondContact OG1-N 2.64Å; D194-I196 PolarHBondContact O-N 3.5Å; I196-C198 HydrophobicContact CG2-CB 4.38Å; I196-C198 PolarHBondContact O-N 2.9Å; I196-Y242 WeakPolarHBondContact CD1-O 3.22Å
197H98.8Very high97.9Very high33 Ų3324.2 Ų24.215%0.15314%0.141CC..  trans-88.192.8179.5-174.6-143.4000110.9W101 M176 F177 S182 G195 I231 L232 P233 K234W101-H197 AromaticContact CH2-CD2 3.77Å; W101-H197 AromaticContact CH2-NE2 3.78Å; W101-H197 AromaticContact CZ2-CD2 3.65Å; W101-H197 AromaticContact CZ2-NE2 3.93Å; M176-H197 HydrophobicContact CE-CB 3.98Å; M176-H197 HydrophobicContact SD-CB 4.16Å; F177-H197 PolarHBondContact O-NE2 3.49Å; S182-H197 PolarHBondContact OG-CD2 2.93Å; G195-H197 PolarHBondContact O-N 3.41Å; H197-I231 PolarHBondContact CE1-O 2.62Å; H197-I231 VanDerWaalsContact CE1-O 3.27Å; H197-L232 VanDerWaalsContact CE1-C 3.49Å; H197-P233 VanDerWaalsContact CE1-CA 3.41Å; H197-P233 WeakPolarHBondContact CE1-CA 3.39Å; H197-P233 VanDerWaalsContact CE1-N 3.35Å; H197-P233 WeakPolarHBondContact NE2-CB 3.3Å; H197-K234 PolarHBondContact O-N 3.13Å
198C98.8Very high97.9Very high0 Ų023.6 Ų23.60%014%0.138CC..EExtended strand (participates in β ladder)trans-147.1161.5-179.959.60000113S182 I196 K234 R236S182-C198 VanDerWaalsContact CA-O 3.24Å; S182-C198 WeakPolarHBondContact CA-O 3.1Å; S182-C198 VanDerWaalsContact CB-O 3.25Å; S182-C198 WeakPolarHBondContact CB-O 3.3Å; S182-C198 PolarHBondContact OG-O 3.02Å; I196-C198 HydrophobicContact CG2-CB 4.38Å; I196-C198 PolarHBondContact O-N 2.9Å; C198-K234 CarbonylContact C-O 3.5Å; C198-K234 WeakPolarHBondContact CA-O 3.38Å; C198-K234 HydrophobicContact CB-CB 4.42Å; C198-K234 WeakPolarHBondContact CB-O 3.33Å; C198-R236 HydrophobicContact CB-CG 4.47Å
199T98.9Very high97.9Very high1 Ų123.4 Ų23.41%0.00614%0.137CC..EExtended strand (participates in β ladder)trans-138.6163.7174.1-174.40000108.9D181 N203 A204 W217 P233 K234 V235 R236D181-T199 VanDerWaalsContact OD2-CA 3.29Å; D181-T199 WeakPolarHBondContact OD2-CA 3.49Å; D181-T199 VanDerWaalsContact OD2-CB 3.29Å; D181-T199 WeakPolarHBondContact OD2-CB 3.26Å; D181-T199 PolarHBondContact OD2-OG1 2.89Å; T199-N203 WeakPolarHBondContact OG1-CB 3.48Å; T199-A204 HydrophobicContact CG2-CB 4.05Å; T199-W217 HydrophobicContact CG2-CH2 4.45Å; T199-W217 HydrophobicContact CG2-CZ2 3.99Å; T199-P233 HydrophobicContact CG2-CB 4.19Å; T199-P233 HydrophobicContact CG2-CG 3.7Å; T199-K234 PolarHBondContact N-O 3.41Å; T199-V235 HydrophobicContact CG2-CG2 3.98Å; T199-V235 CarbonylContact O-C 3.57Å; T199-V235 WeakPolarHBondContact O-CA 3.46Å; T199-R236 PolarHBondContact O-N 2.6Å
200D98.8Very high97.9Very high0 Ų023.4 Ų23.40%014%0.136CC..EExtended strand (participates in β ladder)trans-90.3166.8171.795.9-63.4000112.8T202 N203 A204 R236 S238 C258D200-T202 VanDerWaalsContact C-N 3.26Å; D200-T202 PolarHBondContact O-N 2.95Å; D200-T202 PolarHBondContact OD1-OG1 3.12Å; D200-T202 VanDerWaalsContact OD2-CB 3.26Å; D200-T202 WeakPolarHBondContact OD2-CB 3.33Å; D200-T202 VanDerWaalsContact OD2-CG2 3.27Å; D200-T202 WeakPolarHBondContact OD2-CG2 3.4Å; D200-T202 PolarHBondContact OD2-N 2.7Å; D200-T202 PolarHBondContact OD2-OG1 3.06Å; D200-N203 WeakPolarHBondContact OD1-CB 3.21Å; D200-N203 PolarHBondContact OD1-N 3.28Å; D200-N203 PolarHBondContact OD1-ND2 2.84Å; D200-A204 VanDerWaalsContact O-CB 3.26Å; D200-A204 WeakPolarHBondContact O-CB 3.48Å; D200-A204 PolarHBondContact O-N 3.33Å; D200-R236 CarbonylContact C-O 3.55Å; D200-R236 WeakPolarHBondContact CA-O 3.05Å; D200-S238 PolarHBondContact OD2-OG 3.48Å; D200-C258 HydrophobicContact CB-CB 3.91Å; D200-C258 VanDerWaalsContact CB-O 3.25Å; D200-C258 WeakPolarHBondContact CB-O 3.3Å; D200-C258 VanDerWaalsContact OD2-O 3.05Å
201V98.8Very high98Very high5 Ų523 Ų233%0.0313%0.13CC..Hα-helixtrans-61.8-30179.1-700000113.7S205 F210 M215 V235 R236 V306 K309V201-S205 WeakPolarHBondContact O-CB 3.47Å; V201-S205 PolarHBondContact O-N 2.99Å; V201-F210 HydrophobicContact CB-CZ 4.47Å; V201-F210 HydrophobicContact CG1-CZ 4.17Å; V201-M215 HydrophobicContact CB-SD 4.34Å; V201-M215 HydrophobicContact CG1-SD 3.98Å; V201-V235 HydrophobicContact CB-CG1 4.46Å; V201-V235 HydrophobicContact CG1-CG1 3.78Å; V201-R236 WeakPolarHBondContact CG1-O 3.27Å; V201-R236 PolarHBondContact N-O 3.34Å; V201-V306 HydrophobicContact CB-CG1 4.05Å; V201-V306 HydrophobicContact CG2-CG1 3.69Å; V201-K309 HydrophobicContact CG2-CB 3.66Å
202T98.8Very high98.1Very high0 Ų022.5 Ų22.50%013%0.125CC..Hα-helixtrans-71-51.5-179.367.80000110.1D200 S205 R206 L259 G260 V306 A307D200-T202 VanDerWaalsContact C-N 3.26Å; D200-T202 PolarHBondContact O-N 2.95Å; D200-T202 PolarHBondContact OD1-OG1 3.12Å; D200-T202 VanDerWaalsContact OD2-CB 3.26Å; D200-T202 WeakPolarHBondContact OD2-CB 3.33Å; D200-T202 VanDerWaalsContact OD2-CG2 3.27Å; D200-T202 WeakPolarHBondContact OD2-CG2 3.4Å; D200-T202 PolarHBondContact OD2-N 2.7Å; D200-T202 PolarHBondContact OD2-OG1 3.06Å; T202-S205 PolarHBondContact O-N 3.01Å; T202-S205 PolarHBondContact O-OG 3.06Å; T202-R206 WeakPolarHBondContact O-CG 3.15Å; T202-L259 HydrophobicContact CG2-CD2 4.5Å; T202-L259 WeakPolarHBondContact OG1-CA 3.4Å; T202-G260 PolarHBondContact OG1-N 3.03Å; T202-V306 HydrophobicContact CG2-CG1 4.26Å; T202-A307 WeakPolarHBondContact CG2-O 3.42Å
203N98.9Very high98.2Very high0 Ų020.3 Ų20.30%012%0.116CC..Hα-helixtrans-62-43.5174.1-80.4-68.3000112.2N93 D181 T199 D200 S205 R206 G260N93-N203 PolarHBondContact ND2-OD1 2.69Å; N93-N203 PolarHBondContact OD1-ND2 3.28Å; N93-N203 VanDerWaalsContact OD1-ND2 3.08Å; N93-N203 PolarHBondContact OD1-OD1 3.04Å; D181-N203 VanDerWaalsContact CG-CG 3.48Å; D181-N203 VanDerWaalsContact CG-ND2 3.33Å; D181-N203 VanDerWaalsContact OD1-CG 3.3Å; T199-N203 WeakPolarHBondContact OG1-CB 3.48Å; D200-N203 WeakPolarHBondContact OD1-CB 3.21Å; D200-N203 PolarHBondContact OD1-N 3.28Å; D200-N203 PolarHBondContact OD1-ND2 2.84Å; N203-S205 VanDerWaalsContact C-N 3.27Å; N203-S205 PolarHBondContact O-N 3.25Å; N203-R206 WeakPolarHBondContact O-CB 3.37Å; N203-R206 PolarHBondContact O-N 3.02Å; N203-G260 PolarHBondContact ND2-N 3.11Å
204A98.9Very high98.3Very high0 Ų019.5 Ų19.50%011%0.107CC..Hα-helixtrans-57.3-40.5176.700000112.2T199 D200 R206 T207 F210 W217 V235T199-A204 HydrophobicContact CG2-CB 4.05Å; D200-A204 VanDerWaalsContact O-CB 3.26Å; D200-A204 WeakPolarHBondContact O-CB 3.48Å; D200-A204 PolarHBondContact O-N 3.33Å; A204-R206 PolarHBondContact O-N 2.83Å; A204-T207 WeakPolarHBondContact O-CB 3.38Å; A204-T207 WeakPolarHBondContact O-CG2 3.36Å; A204-T207 PolarHBondContact O-N 3.22Å; A204-T207 VanDerWaalsContact O-N 3.12Å; A204-T207 PolarHBondContact O-OG1 2.91Å; A204-F210 HydrophobicContact CB-CB 4.19Å; A204-F210 HydrophobicContact CB-CD1 4.29Å; A204-F210 HydrophobicContact CB-CD2 3.75Å; A204-F210 HydrophobicContact CB-CE2 4.08Å; A204-F210 HydrophobicContact CB-CG 3.84Å; A204-F210 HydrophobicContact CB-CZ 4.45Å; A204-F210 WeakPolarHBondContact O-CB 3.18Å; A204-W217 HydrophobicContact CB-CH2 3.86Å; A204-W217 HydrophobicContact CB-CZ2 4.36Å; A204-W217 HydrophobicContact CB-CZ3 4.34Å; A204-V235 HydrophobicContact CB-CG1 3.97Å; A204-V235 HydrophobicContact CB-CG2 3.94Å
205S98.7Very high98.5Very high1 Ų116.1 Ų16.11%0.0079%0.088CC..Hα-helixtrans-61.2-17.9179.179.70000113.8L145 V201 T202 N203 T305L145-S205 VanDerWaalsContact CD1-O 3.25Å; L145-S205 WeakPolarHBondContact CD1-O 3.02Å; V201-S205 WeakPolarHBondContact O-CB 3.47Å; V201-S205 PolarHBondContact O-N 2.99Å; T202-S205 PolarHBondContact O-N 3.01Å; T202-S205 PolarHBondContact O-OG 3.06Å; N203-S205 VanDerWaalsContact C-N 3.27Å; N203-S205 PolarHBondContact O-N 3.25Å; S205-T305 PolarHBondContact OG-OG1 3.27Å
206R98.4Very high98.5Very high1 Ų117.4 Ų17.40%0.00410%0.097CC..THydrogen-bonded Turntrans-90.5-3.4-178.6-55-40.2-63.7-146.3-22.1114.4R95 E96 F151 T202 N203 A204 T305 E321R95-R206 HydrophobicContact CB-CG 4.2Å; R95-R206 HydrophobicContact CG-CG 4.39Å; E96-R206 HydrophobicContact CG-CB 3.99Å; E96-R206 VanDerWaalsContact OE1-CB 3.25Å; E96-R206 WeakPolarHBondContact OE1-CB 3.49Å; E96-R206 WeakPolarHBondContact OE1-CG 3.42Å; E96-R206 IonicContact OE1-CZ 3.79Å; E96-R206 VanDerWaalsContact OE1-CZ 3.31Å; E96-R206 IonicContact OE1-NE 2.85Å; E96-R206 PolarHBondContact OE1-NE 3.12Å; E96-R206 IonicContact OE1-NH2 3.94Å; E96-R206 PolarHBondContact OE1-NH2 3.3Å; F151-R206 WeakPolarHBondContact CD1-O 3.25Å; T202-R206 WeakPolarHBondContact O-CG 3.15Å; N203-R206 WeakPolarHBondContact O-CB 3.37Å; N203-R206 PolarHBondContact O-N 3.02Å; A204-R206 PolarHBondContact O-N 2.83Å; R206-T305 WeakPolarHBondContact CD-OG1 3.45Å; R206-T305 VanDerWaalsContact NH1-CB 3.26Å; R206-T305 PolarHBondContact NH1-OG1 3.1Å; R206-E321 IonicContact CZ-OE1 3.53Å; R206-E321 IonicContact CZ-OE2 3.89Å; R206-E321 IonicContact NH1-OE1 3.85Å; R206-E321 IonicContact NH1-OE2 3.95Å; R206-E321 PolarHBondContact NH1-OE2 2.93Å; R206-E321 IonicContact NH2-OE1 3.06Å; R206-E321 PolarHBondContact NH2-OE1 3.01Å; R206-E321 IonicContact NH2-OE2 3.39Å; R206-E321 PolarHBondContact NH2-OE2 2.76Å
207T98.6Very high98.6Very high1 Ų116.8 Ų16.81%0.0069%0.092CC..SBendtrans-85.4-19.6-17361.70000114A153 F177 T179 A204 L209 W217A153-T207 WeakPolarHBondContact CA-O 3.45Å; A153-T207 WeakPolarHBondContact CB-O 3.36Å; A153-T207 PolarHBondContact N-O 3.44Å; F177-T207 HydrophobicContact CE1-CG2 4.45Å; F177-T207 HydrophobicContact CZ-CG2 4.29Å; T179-T207 HydrophobicContact CG2-CG2 4.38Å; A204-T207 WeakPolarHBondContact O-CB 3.38Å; A204-T207 WeakPolarHBondContact O-CG2 3.36Å; A204-T207 PolarHBondContact O-N 3.22Å; A204-T207 VanDerWaalsContact O-N 3.12Å; A204-T207 PolarHBondContact O-OG1 2.91Å; T207-L209 PolarHBondContact O-N 2.99Å; T207-L209 PolarHBondContact OG1-N 2.74Å; T207-W217 HydrophobicContact CG2-CH2 4.05Å; T207-W217 HydrophobicContact CG2-CZ3 4.18Å; T207-W217 WeakPolarHBondContact OG1-CZ3 3.25Å
208M98.3Very high98.6Very high0 Ų016.1 Ų16.10%09%0.089CC..SBendtrans61.79-161.3-59.3-174.680.200116L139 T143 L145 P146 L147 F151 A153 L221 F225L139-M208 HydrophobicContact CB-CE 4.36Å; L139-M208 HydrophobicContact CD1-CE 4.04Å; T143-M208 HydrophobicContact CG2-CB 4.46Å; L145-M208 HydrophobicContact CB-CG 4.15Å; L145-M208 HydrophobicContact CD1-CG 3.78Å; P146-M208 WeakPolarHBondContact O-CE 3.49Å; L147-M208 HydrophobicContact CD2-CE 3.8Å; L147-M208 HydrophobicContact CG-CE 4.27Å; F151-M208 HydrophobicContact CB-CG 3.57Å; F151-M208 HydrophobicContact CB-SD 3.78Å; F151-M208 HydrophobicContact CD2-CG 3.86Å; F151-M208 HydrophobicContact CD2-SD 3.51Å; F151-M208 VanDerWaalsContact CD2-SD 3.51Å; F151-M208 HydrophobicContact CE2-SD 4.47Å; F151-M208 HydrophobicContact CG-CG 3.78Å; F151-M208 HydrophobicContact CG-SD 3.95Å; A153-M208 HydrophobicContact CB-CB 3.98Å; M208-L221 WeakPolarHBondContact O-CD1 3.45Å; M208-F225 HydrophobicContact CB-CE2 3.96Å; M208-F225 HydrophobicContact CB-CZ 3.98Å; M208-F225 HydrophobicContact CE-CZ 4.01Å; M208-F225 WeakPolarHBondContact O-CE2 3.36Å; M208-F225 HydrophobicContact SD-CZ 4.1Å
209L98.8Very high98.5Very high0 Ų019 Ų190%011%0.113CC..SBendtrans-104.1-11.5174.2-58.5174.9000112.3A153 L156 T207 W217 D218 F225 V227 L232A153-L209 HydrophobicContact CB-CD2 3.86Å; A153-L209 HydrophobicContact CB-CG 3.98Å; L156-L209 HydrophobicContact CD2-CD1 4.2Å; T207-L209 PolarHBondContact O-N 2.99Å; T207-L209 PolarHBondContact OG1-N 2.74Å; L209-W217 HydrophobicContact CB-CE3 3.81Å; L209-W217 HydrophobicContact CB-CZ3 3.84Å; L209-D218 PolarHBondContact O-N 2.9Å; L209-F225 HydrophobicContact CD2-CB 4.24Å; L209-F225 HydrophobicContact CD2-CD2 3.66Å; L209-F225 HydrophobicContact CD2-CE2 4.44Å; L209-F225 HydrophobicContact CD2-CG 4.28Å; L209-V227 HydrophobicContact CD1-CB 4.42Å; L209-V227 HydrophobicContact CD1-CG1 3.97Å; L209-V227 HydrophobicContact CD1-CG2 4.38Å; L209-V227 HydrophobicContact CD2-CB 4.28Å; L209-V227 HydrophobicContact CD2-CG2 4.21Å; L209-L232 HydrophobicContact CD1-CD2 3.85Å
210F98.8Very high98.5Very high0 Ų025.1 Ų25.10%014%0.141CC..EExtended strand (participates in β ladder)trans-102.2134.5-175.8-173.8-103.8000111V201 A204 I212 M215 A216 W217 V235V201-F210 HydrophobicContact CB-CZ 4.47Å; V201-F210 HydrophobicContact CG1-CZ 4.17Å; A204-F210 HydrophobicContact CB-CB 4.19Å; A204-F210 HydrophobicContact CB-CD1 4.29Å; A204-F210 HydrophobicContact CB-CD2 3.75Å; A204-F210 HydrophobicContact CB-CE2 4.08Å; A204-F210 HydrophobicContact CB-CG 3.84Å; A204-F210 HydrophobicContact CB-CZ 4.45Å; A204-F210 WeakPolarHBondContact O-CB 3.18Å; F210-I212 HydrophobicContact CD1-CG2 4.18Å; F210-M215 HydrophobicContact CE1-CE 3.89Å; F210-M215 HydrophobicContact CE1-SD 4.06Å; F210-M215 WeakPolarHBondContact CE2-O 3.41Å; F210-M215 HydrophobicContact CZ-CB 4.08Å; F210-M215 HydrophobicContact CZ-CE 4.34Å; F210-M215 HydrophobicContact CZ-SD 3.98Å; F210-A216 VanDerWaalsContact CD2-C 3.45Å; F210-A216 WeakPolarHBondContact CD2-O 3.35Å; F210-A216 VanDerWaalsContact CE2-N 3.26Å; F210-W217 HydrophobicContact CB-CE3 3.91Å; F210-W217 HydrophobicContact CB-CZ3 3.76Å; F210-W217 HydrophobicContact CD2-CE3 4.2Å; F210-W217 HydrophobicContact CD2-CZ3 4.4Å; F210-V235 HydrophobicContact CD2-CG2 4.08Å; F210-V235 HydrophobicContact CE2-CB 4.17Å; F210-V235 HydrophobicContact CE2-CG1 3.76Å; F210-V235 HydrophobicContact CE2-CG2 3.9Å; F210-V235 HydrophobicContact CZ-CG1 4.16Å
211N98.7Very high98.5Very high12 Ų1225.1 Ų25.16%0.06414%0.142CC..EExtended strand (participates in β ladder)trans-92.3115.9174.6179.7-33.8000109.8K142 H213 T214 M215 A216 D218K142-N211 WeakPolarHBondContact O-CA 3.36Å; N211-H213 PolarHBondContact O-N 3.37Å; N211-H213 WeakPolarHBondContact OD1-CB 3.35Å; N211-H213 PolarHBondContact OD1-N 3.2Å; N211-T214 WeakPolarHBondContact CB-OG1 3.33Å; N211-T214 PolarHBondContact O-N 3.47Å; N211-T214 PolarHBondContact OD1-N 2.93Å; N211-M215 PolarHBondContact O-N 3.38Å; N211-A216 PolarHBondContact N-O 3.26Å; N211-D218 HydrophobicContact CB-CB 3.86Å; N211-D218 PolarHBondContact ND2-OD2 2.8Å
212I98.5Very high98.5Very high0 Ų025 Ų250%014%0.141CC..THydrogen-bonded Turntrans-74.4-3.1-174.766.7163.3000113K142 T143 F210 M215 P295 T304 V306 Y318K142-I212 WeakPolarHBondContact O-CG1 3.48Å; K142-I212 PolarHBondContact O-N 2.97Å; T143-I212 WeakPolarHBondContact O-CG2 3.43Å; F210-I212 HydrophobicContact CD1-CG2 4.18Å; I212-M215 HydrophobicContact CB-CE 4.3Å; I212-M215 WeakPolarHBondContact O-CE 3.4Å; I212-P295 HydrophobicContact CD1-CB 4.33Å; I212-T304 HydrophobicContact CD1-CG2 3.84Å; I212-V306 HydrophobicContact CB-CG2 4.37Å; I212-V306 HydrophobicContact CG2-CG2 4.19Å; I212-Y318 HydrophobicContact CB-CE1 4.33Å; I212-Y318 VanDerWaalsContact O-CE1 3.24Å; I212-Y318 WeakPolarHBondContact O-CE1 3.16Å; I212-Y318 PolarHBondContact O-OH 2.85Å
213H97.7Very high98.4Very high90 Ų9033.6 Ų33.642%0.41718%0.178SC..THydrogen-bonded Turntrans-98.4-38.6174.8-53.6-76.6000111.6H141 N211H141-H213 PolarHBondContact O-CD2 3.12Å; H141-H213 VanDerWaalsContact O-CD2 3.31Å; H141-H213 PolarHBondContact O-NE2 2.88Å; N211-H213 PolarHBondContact O-N 3.37Å; N211-H213 WeakPolarHBondContact OD1-CB 3.35Å; N211-H213 PolarHBondContact OD1-N 3.2Å
214T97.7Very high98.4Very high89 Ų8936.4 Ų36.455%0.54619%0.189SC..THydrogen-bonded Turntrans-89-13.7-179.565.10000113.2N211 A216N211-T214 WeakPolarHBondContact CB-OG1 3.33Å; N211-T214 PolarHBondContact O-N 3.47Å; N211-T214 PolarHBondContact OD1-N 2.93Å; T214-A216 VanDerWaalsContact C-N 3.28Å; T214-A216 PolarHBondContact O-N 3.12Å
215M97.9Very high98.4Very high37 Ų3736.5 Ų36.518%0.18219%0.19CC..THydrogen-bonded Turntrans58.736.5-174-64.9-71.7110.500113.3V201 F210 N211 I212 V306 T316 Y318V201-M215 HydrophobicContact CB-SD 4.34Å; V201-M215 HydrophobicContact CG1-SD 3.98Å; F210-M215 HydrophobicContact CE1-CE 3.89Å; F210-M215 HydrophobicContact CE1-SD 4.06Å; F210-M215 WeakPolarHBondContact CE2-O 3.41Å; F210-M215 HydrophobicContact CZ-CB 4.08Å; F210-M215 HydrophobicContact CZ-CE 4.34Å; F210-M215 HydrophobicContact CZ-SD 3.98Å; N211-M215 PolarHBondContact O-N 3.38Å; I212-M215 HydrophobicContact CB-CE 4.3Å; I212-M215 WeakPolarHBondContact O-CE 3.4Å; M215-V306 HydrophobicContact CE-CG2 3.75Å; M215-V306 HydrophobicContact SD-CG2 4.39Å; M215-T316 HydrophobicContact CE-CG2 4.08Å; M215-T316 HydrophobicContact SD-CG2 3.75Å; M215-Y318 HydrophobicContact CE-CE1 4.07Å
216A98.4Very high98.3Very high43 Ų4338.4 Ų38.436%0.35521%0.21SC..EExtended strand (participates in β ladder)trans-143.4161.2-17900000112.6F210 N211 T214 D218F210-A216 VanDerWaalsContact CD2-C 3.45Å; F210-A216 WeakPolarHBondContact CD2-O 3.35Å; F210-A216 VanDerWaalsContact CE2-N 3.26Å; N211-A216 PolarHBondContact N-O 3.26Å; T214-A216 VanDerWaalsContact C-N 3.28Å; T214-A216 PolarHBondContact O-N 3.12Å; A216-D218 PolarHBondContact O-N 3.41Å
217W98.8Very high98.3Very high40 Ų4038.7 Ų38.715%0.15221%0.211CC..EExtended strand (participates in β ladder)trans-58.4134165.3-59.3125.6000110.3T199 A204 T207 L209 F210 M229 L232 P233 V235T199-W217 HydrophobicContact CG2-CH2 4.45Å; T199-W217 HydrophobicContact CG2-CZ2 3.99Å; A204-W217 HydrophobicContact CB-CH2 3.86Å; A204-W217 HydrophobicContact CB-CZ2 4.36Å; A204-W217 HydrophobicContact CB-CZ3 4.34Å; T207-W217 HydrophobicContact CG2-CH2 4.05Å; T207-W217 HydrophobicContact CG2-CZ3 4.18Å; T207-W217 WeakPolarHBondContact OG1-CZ3 3.25Å; L209-W217 HydrophobicContact CB-CE3 3.81Å; L209-W217 HydrophobicContact CB-CZ3 3.84Å; F210-W217 HydrophobicContact CB-CE3 3.91Å; F210-W217 HydrophobicContact CB-CZ3 3.76Å; F210-W217 HydrophobicContact CD2-CE3 4.2Å; F210-W217 HydrophobicContact CD2-CZ3 4.4Å; W217-M229 HydrophobicContact CB-CE 3.95Å; W217-L232 HydrophobicContact CB-CD1 4.01Å; W217-L232 HydrophobicContact CD2-CB 4.25Å; W217-L232 HydrophobicContact CD2-CD1 3.74Å; W217-L232 HydrophobicContact CE3-CD1 4.1Å; W217-L232 HydrophobicContact CG-CB 4.33Å; W217-L232 HydrophobicContact CG-CD1 3.68Å; W217-L232 HydrophobicContact CZ2-CB 4.36Å; W217-P233 HydrophobicContact CZ2-CG 4.03Å; W217-P233 PolarHBondContact NE1-O 3.46Å; W217-V235 HydrophobicContact CD2-CG2 4.19Å; W217-V235 VanDerWaalsContact CE2-CG2 3.45Å; W217-V235 HydrophobicContact CH2-CG2 4.31Å; W217-V235 HydrophobicContact CZ2-CG2 3.52Å
218D98.8Very high98.3Very high19 Ų1940.1 Ų40.110%0.10222%0.221CC..  trans-106.1120.2-174.9-171.8-58.3000110.1K142 L209 N211 A216 E220 L221 C222K142-D218 IonicContact NZ-OD1 3.25Å; K142-D218 IonicContact NZ-OD2 3.79Å; K142-D218 PolarHBondContact NZ-OD2 2.52Å; L209-D218 PolarHBondContact O-N 2.9Å; N211-D218 HydrophobicContact CB-CB 3.86Å; N211-D218 PolarHBondContact ND2-OD2 2.8Å; A216-D218 PolarHBondContact O-N 3.41Å; D218-E220 PolarHBondContact O-N 3.28Å; D218-E220 WeakPolarHBondContact OD1-CA 3.46Å; D218-E220 VanDerWaalsContact OD1-CB 3.3Å; D218-E220 WeakPolarHBondContact OD1-CB 3.26Å; D218-E220 PolarHBondContact OD1-N 2.9Å; D218-L221 HydrophobicContact CB-CB 4.07Å; D218-L221 HydrophobicContact CB-CD1 3.69Å; D218-L221 HydrophobicContact CB-CG 3.73Å; D218-L221 PolarHBondContact O-N 2.97Å; D218-L221 PolarHBondContact OD1-N 3.25Å; D218-C222 PolarHBondContact O-N 2.98Å; D218-C222 PolarHBondContact O-SG 3.32Å; D218-C222 VanDerWaalsContact O-SG 3.41Å
219A98.4Very high98.3Very high61 Ų6144.5 Ų44.550%0.50424%0.242SC..Hα-helixtrans-62.5-30-176.400000112.8K223 M229A219-K223 VanDerWaalsContact O-CB 3.26Å; A219-K223 WeakPolarHBondContact O-CB 3.27Å; A219-K223 PolarHBondContact O-N 2.88Å; A219-M229 HydrophobicContact CB-SD 3.83Å
220E98.1Very high98.2Very high128 Ų12849 Ų4960%0.59826%0.263SS*.Hα-helixtrans-72.7-41177.3-59.8179.1159.500110.7K142 D218 K223 Y224K142-E220 WeakPolarHBondContact CE-OE2 3.27Å; K142-E220 IonicContact NZ-OE2 2.81Å; K142-E220 PolarHBondContact NZ-OE2 2.93Å; D218-E220 PolarHBondContact O-N 3.28Å; D218-E220 WeakPolarHBondContact OD1-CA 3.46Å; D218-E220 VanDerWaalsContact OD1-CB 3.3Å; D218-E220 WeakPolarHBondContact OD1-CB 3.26Å; D218-E220 PolarHBondContact OD1-N 2.9Å; E220-K223 PolarHBondContact O-N 2.96Å; E220-Y224 VanDerWaalsContact O-CB 3.31Å; E220-Y224 WeakPolarHBondContact O-CB 3.18Å; E220-Y224 PolarHBondContact O-N 3.38Å
221L98.4Very high98.2Very high1 Ų149.1 Ų49.11%0.00526%0.263CS..Hα-helixtrans-62.1-48.9173.3-61.2-179.5000110.7L139 K142 T143 M208 D218 K223 Y224 F225L139-L221 HydrophobicContact CB-CD2 4.3Å; L139-L221 HydrophobicContact CD1-CD2 4.19Å; L139-L221 HydrophobicContact CD2-CD2 3.86Å; L139-L221 HydrophobicContact CG-CD2 4.34Å; K142-L221 HydrophobicContact CB-CD1 4.26Å; K142-L221 HydrophobicContact CB-CD2 4.35Å; K142-L221 HydrophobicContact CD-CD2 3.87Å; K142-L221 HydrophobicContact CD-CG 4.13Å; T143-L221 HydrophobicContact CG2-CD1 3.47Å; T143-L221 VanDerWaalsContact CG2-CD1 3.47Å; T143-L221 HydrophobicContact CG2-CD2 4.12Å; T143-L221 HydrophobicContact CG2-CG 4.47Å; M208-L221 WeakPolarHBondContact O-CD1 3.45Å; D218-L221 HydrophobicContact CB-CB 4.07Å; D218-L221 HydrophobicContact CB-CD1 3.69Å; D218-L221 HydrophobicContact CB-CG 3.73Å; D218-L221 PolarHBondContact O-N 2.97Å; D218-L221 PolarHBondContact OD1-N 3.25Å; L221-K223 VanDerWaalsContact C-N 3.31Å; L221-K223 PolarHBondContact O-N 2.93Å; L221-Y224 WeakPolarHBondContact O-CB 3.11Å; L221-Y224 PolarHBondContact O-N 2.87Å; L221-Y224 VanDerWaalsContact O-N 3.13Å; L221-F225 WeakPolarHBondContact O-CD2 3.21Å; L221-F225 PolarHBondContact O-N 3.18Å
222C98.6Very high98.2Very high3 Ų349.2 Ų49.22%0.0226%0.264CS..Hα-helixtrans-57.4-44176.3-70.70000112.1D218 F225 G226 V227 M229D218-C222 PolarHBondContact O-N 2.98Å; D218-C222 PolarHBondContact O-SG 3.32Å; D218-C222 VanDerWaalsContact O-SG 3.41Å; C222-F225 PolarHBondContact O-N 2.82Å; C222-G226 CarbonylContact O-C 3.55Å; C222-G226 WeakPolarHBondContact O-CA 3.21Å; C222-G226 PolarHBondContact O-N 2.59Å; C222-V227 WeakPolarHBondContact CB-O 3.41Å; C222-V227 PolarHBondContact O-N 3.49Å; C222-M229 HydrophobicContact CB-CG 3.85Å
223K98.2Very high98.2Very high180 Ų18049.3 Ų49.378%0.78327%0.265SS*.Hα-helixtrans-62.9-42.9175.1-176.7-179.5179-176.90112A219 E220 L221 F225 G226A219-K223 VanDerWaalsContact O-CB 3.26Å; A219-K223 WeakPolarHBondContact O-CB 3.27Å; A219-K223 PolarHBondContact O-N 2.88Å; E220-K223 PolarHBondContact O-N 2.96Å; L221-K223 VanDerWaalsContact C-N 3.31Å; L221-K223 PolarHBondContact O-N 2.93Å; K223-F225 VanDerWaalsContact C-N 3.33Å; K223-F225 PolarHBondContact O-N 2.83Å; K223-G226 PolarHBondContact O-N 3.09Å
224Y97.8Very high98.3Very high59 Ų5951.9 Ų51.923%0.23128%0.275CS..Hα-helixtrans-58.1-44.4179.1176.9-85.6000111.8L127 T131 L139 L147 E220 L221 G226L127-Y224 HydrophobicContact CB-CE1 4.44Å; L127-Y224 HydrophobicContact CD2-CD1 4.47Å; L127-Y224 HydrophobicContact CD2-CE1 3.84Å; L127-Y224 PolarHBondContact O-OH 2.78Å; T131-Y224 PolarHBondContact OG1-OH 2.95Å; L139-Y224 HydrophobicContact CD1-CD1 3.73Å; L139-Y224 HydrophobicContact CD1-CE1 3.68Å; L139-Y224 HydrophobicContact CD1-CG 4.32Å; L139-Y224 HydrophobicContact CD2-CD2 4.41Å; L139-Y224 HydrophobicContact CD2-CG 4.45Å; L147-Y224 WeakPolarHBondContact CD1-OH 3.42Å; L147-Y224 HydrophobicContact CD2-CE1 4.15Å; E220-Y224 VanDerWaalsContact O-CB 3.31Å; E220-Y224 WeakPolarHBondContact O-CB 3.18Å; E220-Y224 PolarHBondContact O-N 3.38Å; L221-Y224 WeakPolarHBondContact O-CB 3.11Å; L221-Y224 PolarHBondContact O-N 2.87Å; L221-Y224 VanDerWaalsContact O-N 3.13Å; Y224-G226 VanDerWaalsContact C-N 3.34Å
225F98.1Very high98.3Very high2 Ų249.1 Ų49.11%0.00926%0.258CS..THydrogen-bonded Turntrans-86.3-0.2176.1-63.8-76.2000113.6L127 L139 L147 A153 V154 R157 M208 L209 L221 C222 K223 V227L127-F225 HydrophobicContact CD1-CD1 3.82Å; L127-F225 HydrophobicContact CD1-CE1 3.77Å; L139-F225 HydrophobicContact CD1-CE2 3.65Å; L139-F225 HydrophobicContact CD1-CZ 3.56Å; L147-F225 HydrophobicContact CD2-CE1 4.03Å; L147-F225 HydrophobicContact CD2-CZ 3.99Å; A153-F225 HydrophobicContact CB-CB 4.41Å; A153-F225 HydrophobicContact CB-CD1 3.76Å; A153-F225 HydrophobicContact CB-CD2 3.7Å; A153-F225 HydrophobicContact CB-CE1 3.83Å; A153-F225 HydrophobicContact CB-CE2 3.8Å; A153-F225 HydrophobicContact CB-CG 3.7Å; A153-F225 HydrophobicContact CB-CZ 3.86Å; V154-F225 HydrophobicContact CG1-CD1 4.39Å; V154-F225 HydrophobicContact CG1-CE1 3.9Å; R157-F225 WeakPolarHBondContact CD-O 3.48Å; R157-F225 PolarHBondContact NH1-O 3.45Å; M208-F225 HydrophobicContact CB-CE2 3.96Å; M208-F225 HydrophobicContact CB-CZ 3.98Å; M208-F225 HydrophobicContact CE-CZ 4.01Å; M208-F225 WeakPolarHBondContact O-CE2 3.36Å; M208-F225 HydrophobicContact SD-CZ 4.1Å; L209-F225 HydrophobicContact CD2-CB 4.24Å; L209-F225 HydrophobicContact CD2-CD2 3.66Å; L209-F225 HydrophobicContact CD2-CE2 4.44Å; L209-F225 HydrophobicContact CD2-CG 4.28Å; L221-F225 WeakPolarHBondContact O-CD2 3.21Å; L221-F225 PolarHBondContact O-N 3.18Å; C222-F225 PolarHBondContact O-N 2.82Å; K223-F225 VanDerWaalsContact C-N 3.33Å; K223-F225 PolarHBondContact O-N 2.83Å; F225-V227 HydrophobicContact CB-CG2 3.87Å; F225-V227 PolarHBondContact O-N 3.3Å
226G97.6Very high98.4Very high41 Ų4149.6 Ų49.642%0.42326%0.257SS..THydrogen-bonded Turntrans59.731.4-174.900000113.7R157 C222 K223 Y224R157-G226 PolarHBondContact NH1-O 3.11Å; C222-G226 CarbonylContact O-C 3.55Å; C222-G226 WeakPolarHBondContact O-CA 3.21Å; C222-G226 PolarHBondContact O-N 2.59Å; K223-G226 PolarHBondContact O-N 3.09Å; Y224-G226 VanDerWaalsContact C-N 3.34Å
227V98.4Very high98.4Very high6 Ų647.7 Ų47.74%0.03624%0.242CC..  trans-94.4124.2179.4174.50000109.4L156 L160 L209 C222 F225 I231 L232L156-V227 HydrophobicContact CD2-CB 4.34Å; L156-V227 HydrophobicContact CD2-CG1 3.52Å; L156-V227 HydrophobicContact CD2-CG2 3.8Å; L156-V227 HydrophobicContact CG-CG1 4.49Å; L156-V227 HydrophobicContact CG-CG2 4.11Å; L160-V227 HydrophobicContact CD1-CG2 4.19Å; L209-V227 HydrophobicContact CD1-CB 4.42Å; L209-V227 HydrophobicContact CD1-CG1 3.97Å; L209-V227 HydrophobicContact CD1-CG2 4.38Å; L209-V227 HydrophobicContact CD2-CB 4.28Å; L209-V227 HydrophobicContact CD2-CG2 4.21Å; C222-V227 WeakPolarHBondContact CB-O 3.41Å; C222-V227 PolarHBondContact O-N 3.49Å; F225-V227 HydrophobicContact CB-CG2 3.87Å; F225-V227 PolarHBondContact O-N 3.3Å; V227-I231 HydrophobicContact CG1-CD1 4.41Å; V227-L232 HydrophobicContact CG1-CD2 4.12Å
228P97.9Very high98.4Very high32 Ų3245.8 Ų45.821%0.20823%0.234CC..  trans-73.8128.6177.127.9-31.7000111.2V170 H230 I231V170-P228 HydrophobicContact CG1-CG 3.71Å; P228-H230 PolarHBondContact O-N 2.76Å; P228-H230 VanDerWaalsContact O-N 3.11Å; P228-I231 HydrophobicContact CG-CD1 4.12Å; P228-I231 HydrophobicContact CG-CG1 4.28Å; P228-I231 HydrophobicContact CG-CG2 4.15Å; P228-I231 WeakPolarHBondContact O-CG1 3.37Å; P228-I231 PolarHBondContact O-N 3.43Å
229M98.2Very high98.4Very high91 Ų9145.1 Ų45.145%0.44823%0.231SC..G310 helixtrans-62.8-24.1-176.2-68.6-177.775.800114.6W217 A219 C222 I231 L232W217-M229 HydrophobicContact CB-CE 3.95Å; A219-M229 HydrophobicContact CB-SD 3.83Å; C222-M229 HydrophobicContact CB-CG 3.85Å; M229-I231 PolarHBondContact O-N 2.83Å; M229-L232 HydrophobicContact CB-CD1 4.47Å; M229-L232 HydrophobicContact CG-CD1 4.5Å; M229-L232 WeakPolarHBondContact O-CB 3.19Å; M229-L232 PolarHBondContact O-N 3.39Å; M229-L232 VanDerWaalsContact O-N 3.17Å
230H97.9Very high98.3Very high96 Ų9644.2 Ų44.244%0.44422%0.216SC..G310 helixtrans-70.8-12.4-17569.3-101.8000114.4H173 P228H173-H230 AromaticContact CE1-CE1 3.6Å; H173-H230 AromaticContact CE1-ND1 3.91Å; H173-H230 AromaticContact CE1-NE2 3.83Å; H173-H230 AromaticContact ND1-CD2 3.46Å; H173-H230 PolarHBondContact ND1-CD2 2.73Å; H173-H230 AromaticContact ND1-CE1 3.37Å; H173-H230 PolarHBondContact ND1-CE1 2.99Å; H173-H230 AromaticContact ND1-CG 3.84Å; H173-H230 AromaticContact ND1-ND1 3.78Å; H173-H230 AromaticContact ND1-NE2 3.12Å; H173-H230 PolarHBondContact ND1-NE2 3.05Å; H173-H230 VanDerWaalsContact ND1-NE2 3.12Å; P228-H230 PolarHBondContact O-N 2.76Å; P228-H230 VanDerWaalsContact O-N 3.11Å
231I98.5Very high98.4Very high1 Ų141.2 Ų41.21%0.00520%0.204CC..G310 helixtrans-91.5-4.9175.273174.5000112.6L156 V170 A175 F177 H197 V227 P228 M229L156-I231 HydrophobicContact CD1-CD1 4.19Å; L156-I231 HydrophobicContact CD2-CD1 4.21Å; V170-I231 HydrophobicContact CG2-CG2 4.36Å; A175-I231 HydrophobicContact CB-CG2 4.04Å; A175-I231 WeakPolarHBondContact O-CG2 3.29Å; F177-I231 HydrophobicContact CB-CB 4.5Å; F177-I231 HydrophobicContact CB-CD1 3.93Å; F177-I231 HydrophobicContact CB-CG1 3.99Å; F177-I231 PolarHBondContact N-O 3.26Å; H197-I231 PolarHBondContact CE1-O 2.62Å; H197-I231 VanDerWaalsContact CE1-O 3.27Å; V227-I231 HydrophobicContact CG1-CD1 4.41Å; P228-I231 HydrophobicContact CG-CD1 4.12Å; P228-I231 HydrophobicContact CG-CG1 4.28Å; P228-I231 HydrophobicContact CG-CG2 4.15Å; P228-I231 WeakPolarHBondContact O-CG1 3.37Å; P228-I231 PolarHBondContact O-N 3.43Å; M229-I231 PolarHBondContact O-N 2.83Å
232L98.8Very high98.4Very high15 Ų1541.3 Ų41.38%0.07920%0.204CC..SBendtrans-83.8141.8-173.7-57.5178.1000111.7F177 H197 L209 W217 V227 M229F177-L232 HydrophobicContact CD1-CD2 3.57Å; F177-L232 HydrophobicContact CE1-CD2 3.99Å; F177-L232 HydrophobicContact CG-CD2 4.48Å; H197-L232 VanDerWaalsContact CE1-C 3.49Å; L209-L232 HydrophobicContact CD1-CD2 3.85Å; W217-L232 HydrophobicContact CB-CD1 4.01Å; W217-L232 HydrophobicContact CD2-CB 4.25Å; W217-L232 HydrophobicContact CD2-CD1 3.74Å; W217-L232 HydrophobicContact CE3-CD1 4.1Å; W217-L232 HydrophobicContact CG-CB 4.33Å; W217-L232 HydrophobicContact CG-CD1 3.68Å; W217-L232 HydrophobicContact CZ2-CB 4.36Å; V227-L232 HydrophobicContact CG1-CD2 4.12Å; M229-L232 HydrophobicContact CB-CD1 4.47Å; M229-L232 HydrophobicContact CG-CD1 4.5Å; M229-L232 WeakPolarHBondContact O-CB 3.19Å; M229-L232 PolarHBondContact O-N 3.39Å; M229-L232 VanDerWaalsContact O-N 3.17Å
233P98.8Very high98.3Very high2 Ų241.6 Ų41.61%0.01321%0.207CC..PPolyproline II helixtrans-69156.1178.922.4-24.9000111.6F177 H197 T199 W217 V235F177-P233 WeakPolarHBondContact O-CD 3.39Å; H197-P233 VanDerWaalsContact CE1-CA 3.41Å; H197-P233 WeakPolarHBondContact CE1-CA 3.39Å; H197-P233 VanDerWaalsContact CE1-N 3.35Å; H197-P233 WeakPolarHBondContact NE2-CB 3.3Å; T199-P233 HydrophobicContact CG2-CB 4.19Å; T199-P233 HydrophobicContact CG2-CG 3.7Å; W217-P233 HydrophobicContact CZ2-CG 4.03Å; W217-P233 PolarHBondContact NE1-O 3.46Å; P233-V235 PolarHBondContact O-N 3.27Å
234K98.7Very high98.4Very high144 Ų14436.9 Ų36.963%0.62619%0.19SC*.EExtended strand (participates in β ladder)trans-68.7123.6169.8-174.9175.4179.4-178.90110H197 C198 T199H197-K234 PolarHBondContact O-N 3.13Å; C198-K234 CarbonylContact C-O 3.5Å; C198-K234 WeakPolarHBondContact CA-O 3.38Å; C198-K234 HydrophobicContact CB-CB 4.42Å; C198-K234 WeakPolarHBondContact CB-O 3.33Å; T199-K234 PolarHBondContact N-O 3.41Å
235V98.8Very high98.4Very high31 Ų3134.3 Ų34.319%0.18818%0.18CC..EExtended strand (participates in β ladder)trans-78.6134175.5-171.20000110T199 V201 A204 F210 W217 P233T199-V235 HydrophobicContact CG2-CG2 3.98Å; T199-V235 CarbonylContact O-C 3.57Å; T199-V235 WeakPolarHBondContact O-CA 3.46Å; V201-V235 HydrophobicContact CB-CG1 4.46Å; V201-V235 HydrophobicContact CG1-CG1 3.78Å; A204-V235 HydrophobicContact CB-CG1 3.97Å; A204-V235 HydrophobicContact CB-CG2 3.94Å; F210-V235 HydrophobicContact CD2-CG2 4.08Å; F210-V235 HydrophobicContact CE2-CB 4.17Å; F210-V235 HydrophobicContact CE2-CG1 3.76Å; F210-V235 HydrophobicContact CE2-CG2 3.9Å; F210-V235 HydrophobicContact CZ-CG1 4.16Å; W217-V235 HydrophobicContact CD2-CG2 4.19Å; W217-V235 VanDerWaalsContact CE2-CG2 3.45Å; W217-V235 HydrophobicContact CH2-CG2 4.31Å; W217-V235 HydrophobicContact CZ2-CG2 3.52Å; P233-V235 PolarHBondContact O-N 3.27Å
236R98.7Very high98.3Very high46 Ų4639.7 Ų39.717%0.17420%0.204CC..EExtended strand (participates in β ladder)trans-127.4172.2175-60.7-171.8-175.8-161.420.5110.8C198 T199 D200 V201 E240 I241 Y242C198-R236 HydrophobicContact CB-CG 4.47Å; T199-R236 PolarHBondContact O-N 2.6Å; D200-R236 CarbonylContact C-O 3.55Å; D200-R236 WeakPolarHBondContact CA-O 3.05Å; V201-R236 WeakPolarHBondContact CG1-O 3.27Å; V201-R236 PolarHBondContact N-O 3.34Å; R236-E240 WeakPolarHBondContact CD-OE1 2.91Å; R236-E240 IonicContact CZ-OE1 3.31Å; R236-E240 IonicContact NE-OE1 3.25Å; R236-E240 IonicContact NH1-OE1 3.04Å; R236-E240 PolarHBondContact NH1-OE1 2.94Å; R236-I241 PolarHBondContact NH1-O 3.45Å; R236-I241 VanDerWaalsContact NH1-O 3.12Å; R236-Y242 HydrophobicContact CB-CD1 4.39Å; R236-Y242 HydrophobicContact CB-CE1 3.87Å; R236-Y242 PolarHBondContact NH2-O 2.85Å
237S98.6Very high98.1Very high4 Ų440 Ų403%0.02820%0.202CC..  trans-63.3170.6170.779.50000110.8S239 Y242 K309 G311 R312S237-S239 VanDerWaalsContact C-N 3.33Å; S237-S239 PolarHBondContact OG-O 2.89Å; S237-Y242 PolarHBondContact O-OH 3.17Å; S237-K309 WeakPolarHBondContact CB-O 3.32Å; S237-G311 WeakPolarHBondContact CB-O 3.44Å; S237-G311 VanDerWaalsContact OG-C 3.26Å; S237-G311 WeakPolarHBondContact OG-CA 3.41Å; S237-G311 PolarHBondContact OG-N 2.81Å; S237-R312 PolarHBondContact OG-N 2.82Å
238S98.7Very high97.8Very high0 Ų041.5 Ų41.50%022%0.219CC..SBendtrans-79.9-12.8179.2-54.60000114D200 Y242 G257 C258 K309D200-S238 PolarHBondContact OD2-OG 3.48Å; S238-Y242 VanDerWaalsContact C-OH 3.32Å; S238-Y242 WeakPolarHBondContact CA-OH 3.49Å; S238-Y242 PolarHBondContact O-OH 3.35Å; S238-G257 WeakPolarHBondContact O-CA 3.49Å; S238-C258 VanDerWaalsContact CA-O 3.29Å; S238-C258 WeakPolarHBondContact CA-O 3.22Å; S238-C258 WeakPolarHBondContact CB-O 3.5Å; S238-C258 PolarHBondContact O-N 3.2Å; S238-K309 WeakPolarHBondContact CA-O 3.5Å; S238-K309 WeakPolarHBondContact CB-O 3.48Å; S238-K309 PolarHBondContact N-O 3.12Å; S238-K309 PolarHBondContact OG-N 3.07Å
239S98.6Very high97.6Very high4 Ų442.8 Ų42.83%0.02823%0.232CC..EExtended strand (participates in β ladder)trans-13990.7-178.4-179.60000109.6S237 S256 G311 A464 A468S237-S239 VanDerWaalsContact C-N 3.33Å; S237-S239 PolarHBondContact OG-O 2.89Å; S239-S256 WeakPolarHBondContact CA-O 3.37Å; S239-G311 WeakPolarHBondContact O-CA 3.36Å; S239-A464 WeakPolarHBondContact CB-O 3.41Å; S239-A464 PolarHBondContact OG-O 3.12Å; S239-A468 WeakPolarHBondContact OG-CA 3.45Å; S239-A468 PolarHBondContact OG-N 2.99Å
240E97.8Very high97.6Very high42 Ų4238.6 Ų38.620%0.19621%0.212CC..EExtended strand (participates in β ladder)trans-160147.4-178.3-178.5-175.6134.900108.3R236 Y242 S256R236-E240 WeakPolarHBondContact CD-OE1 2.91Å; R236-E240 IonicContact CZ-OE1 3.31Å; R236-E240 IonicContact NE-OE1 3.25Å; R236-E240 IonicContact NH1-OE1 3.04Å; R236-E240 PolarHBondContact NH1-OE1 2.94Å; E240-Y242 WeakPolarHBondContact O-CD2 3.19Å; E240-Y242 WeakPolarHBondContact O-CE2 3.45Å; E240-Y242 PolarHBondContact O-N 2.94Å; E240-S256 CarbonylContact C-O 3.54Å; E240-S256 PolarHBondContact N-O 3.43Å; E240-S256 CarbonylContact O-C 3.58Å; E240-S256 WeakPolarHBondContact O-CA 3.49Å; E240-S256 VanDerWaalsContact O-O 3.11Å
241I98.6Very high97.5Very high65 Ų6537.8 Ų37.833%0.33321%0.214SC..EExtended strand (participates in β ladder)trans-66.2105.4171.7-62.8163.6000109.8R236 P254 E469 V471R236-I241 PolarHBondContact NH1-O 3.45Å; R236-I241 VanDerWaalsContact NH1-O 3.12Å; I241-P254 HydrophobicContact CG1-CB 4.29Å; I241-P254 HydrophobicContact CG2-CB 4.07Å; I241-E469 WeakPolarHBondContact CD1-O 3.24Å; I241-V471 HydrophobicContact CD1-CG2 4.37Å; I241-V471 HydrophobicContact CG1-CG2 4.26Å
242Y98.4Very high97.5Very high4 Ų439.7 Ų39.72%0.01623%0.233CC..EExtended strand (participates in β ladder)trans-74.1-45.4177.3-60.6-91.4000110.7I185 I196 R236 S237 S238 E240 I255 C258I185-Y242 HydrophobicContact CD1-CD1 4.3Å; I185-Y242 HydrophobicContact CD1-CG 4.41Å; I196-Y242 WeakPolarHBondContact CD1-O 3.22Å; R236-Y242 HydrophobicContact CB-CD1 4.39Å; R236-Y242 HydrophobicContact CB-CE1 3.87Å; R236-Y242 PolarHBondContact NH2-O 2.85Å; S237-Y242 PolarHBondContact O-OH 3.17Å; S238-Y242 VanDerWaalsContact C-OH 3.32Å; S238-Y242 WeakPolarHBondContact CA-OH 3.49Å; S238-Y242 PolarHBondContact O-OH 3.35Å; E240-Y242 WeakPolarHBondContact O-CD2 3.19Å; E240-Y242 WeakPolarHBondContact O-CE2 3.45Å; E240-Y242 PolarHBondContact O-N 2.94Å; Y242-I255 HydrophobicContact CD2-CG2 4.22Å; Y242-I255 WeakPolarHBondContact CD2-O 3.24Å; Y242-I255 PolarHBondContact N-O 3.01Å; Y242-C258 HydrophobicContact CE1-CB 4.16Å; Y242-C258 HydrophobicContact CE2-CB 3.78Å; Y242-C258 VanDerWaalsContact OH-CB 3.3Å; Y242-C258 WeakPolarHBondContact OH-CB 3.01Å; Y242-C258 PolarHBondContact OH-N 3.42Å
243G98.3Very high97.5Very high8 Ų840.4 Ų40.48%0.08224%0.237CC..EExtended strand (participates in β ladder)trans179.5-179.3-176.800000112P254 I255G243-P254 WeakPolarHBondContact O-CA 3.37Å; G243-I255 PolarHBondContact O-N 2.85Å
244L98.6Very high97.5Very high82 Ų8241.3 Ų41.343%0.42924%0.243SC..EExtended strand (participates in β ladder)trans-104.8140.5175.8-54.1-177.6000110K246 P254L244-K246 PolarHBondContact O-N 2.94Å; L244-P254 HydrophobicContact CD2-CB 3.83Å
245L98.3Very high97.5Very high4 Ų434.4 Ų34.42%0.02121%0.213CC..  trans-57.3127.9168.3-78.2151.2000109.6V89 L188 L250 T251 G252 I253 I255V89-L245 HydrophobicContact CB-CD1 4.16Å; V89-L245 HydrophobicContact CG2-CD1 3.75Å; L188-L245 HydrophobicContact CB-CD2 3.89Å; L188-L245 HydrophobicContact CD1-CD2 4.32Å; L188-L245 HydrophobicContact CD2-CD2 3.99Å; L188-L245 HydrophobicContact CG-CD2 4.29Å; L245-L250 WeakPolarHBondContact CB-O 3.33Å; L245-L250 HydrophobicContact CD1-CB 3.85Å; L245-T251 WeakPolarHBondContact O-CA 3.14Å; L245-G252 PolarHBondContact O-N 3.29Å; L245-I253 HydrophobicContact CD1-CB 4.18Å; L245-I253 PolarHBondContact N-O 3.12Å; L245-I255 HydrophobicContact CD1-CG1 4.38Å; L245-I255 HydrophobicContact CD2-CD1 4.26Å; L245-I255 HydrophobicContact CD2-CG1 4.43Å; L245-I255 HydrophobicContact CG-CD1 4.24Å; L245-I255 HydrophobicContact CG-CG1 3.94Å
246K97.3Very high97.5Very high115 Ų11533 Ų3350%0.520%0.204SC..  trans-98-10.8-175.4-66.5-67.9-172.81610114.9L188 T189 D194 L244L188-K246 PolarHBondContact O-N 3.32Å; T189-K246 WeakPolarHBondContact O-CE 3.46Å; T189-K246 WeakPolarHBondContact O-CG 3.45Å; D194-K246 IonicContact OD2-NZ 2.7Å; L244-K246 PolarHBondContact O-N 2.94Å
247A92.3Very high97.5Very high48 Ų4830.8 Ų30.840%0.39720%0.196SC..SBendtrans-146.5163.8-175.600000112.3T251A247-T251 WeakPolarHBondContact CA-OG1 3.35Å; A247-T251 PolarHBondContact O-OG1 3.18Å
248G92.7Very high97.5Very high38 Ų3830.6 Ų30.639%0.39219%0.194SC..SBendtrans78.7-170.7176.800000114.2L250 T251G248-L250 PolarHBondContact O-N 2.77Å; G248-T251 PolarHBondContact N-OG1 2.78Å; G248-T251 PolarHBondContact O-N 2.78Å; G248-T251 VanDerWaalsContact O-N 3.17Å; G248-T251 PolarHBondContact O-OG1 3.47Å
249A93.6Very high97.5Very high58 Ų5830.6 Ų30.648%0.47919%0.194SC..THydrogen-bonded Turntrans-60-19.5-174.800000114.6C73C73-A249 HydrophobicContact CB-CB 4.06Å
250L96.9Very high97.5Very high3 Ų330.4 Ų30.42%0.01619%0.193CC..THydrogen-bonded Turntrans-109.621.9-177.1-58.1-177000113F26 I69 V83 I86 V89 L245 G248 G252 I253F26-L250 HydrophobicContact CE1-CD1 4.08Å; F26-L250 HydrophobicContact CE2-CD1 4.3Å; F26-L250 HydrophobicContact CZ-CD1 3.51Å; I69-L250 HydrophobicContact CG2-CD1 3.63Å; I69-L250 HydrophobicContact CG2-CG 3.83Å; V83-L250 HydrophobicContact CG1-CD2 3.61Å; I86-L250 HydrophobicContact CB-CD2 4.38Å; I86-L250 HydrophobicContact CD1-CD2 3.81Å; I86-L250 HydrophobicContact CG2-CD2 4.41Å; V89-L250 HydrophobicContact CG2-CD1 3.9Å; L245-L250 WeakPolarHBondContact CB-O 3.33Å; L245-L250 HydrophobicContact CD1-CB 3.85Å; G248-L250 PolarHBondContact O-N 2.77Å; L250-G252 PolarHBondContact O-N 2.94Å; L250-I253 HydrophobicContact CB-CB 4.34Å; L250-I253 HydrophobicContact CB-CG1 4.16Å; L250-I253 VanDerWaalsContact O-CB 3.28Å; L250-I253 WeakPolarHBondContact O-CB 3.43Å; L250-I253 WeakPolarHBondContact O-CG1 3.37Å; L250-I253 PolarHBondContact O-N 3.17Å
251T97.5Very high97.3Very high80 Ų8029.7 Ų29.749%0.49119%0.191SC..THydrogen-bonded Turntrans-53.4130177.4-61.10000111.1L245 A247 G248 I253L245-T251 WeakPolarHBondContact O-CA 3.14Å; A247-T251 WeakPolarHBondContact CA-OG1 3.35Å; A247-T251 PolarHBondContact O-OG1 3.18Å; G248-T251 PolarHBondContact N-OG1 2.78Å; G248-T251 PolarHBondContact O-N 2.78Å; G248-T251 VanDerWaalsContact O-N 3.17Å; G248-T251 PolarHBondContact O-OG1 3.47Å; T251-I253 VanDerWaalsContact C-N 3.33Å
252G97.8Very high97.2Very high40 Ų4027 Ų2741%0.41218%0.177SC..THydrogen-bonded Turntrans86.9-9.1-178.600000115.1L245 L250L245-G252 PolarHBondContact O-N 3.29Å; L250-G252 PolarHBondContact O-N 2.94Å
253I98.4Very high97.1Very high31 Ų3126.9 Ų26.916%0.15918%0.176CC..  trans-75.9135.9175-58.6-52000109.9I86 V89 L245 L250 T251I86-I253 HydrophobicContact CG2-CG2 4.27Å; I86-I253 VanDerWaalsContact O-CD1 3.23Å; I86-I253 WeakPolarHBondContact O-CD1 3.33Å; V89-I253 HydrophobicContact CG2-CG2 4.08Å; L245-I253 HydrophobicContact CD1-CB 4.18Å; L245-I253 PolarHBondContact N-O 3.12Å; L250-I253 HydrophobicContact CB-CB 4.34Å; L250-I253 HydrophobicContact CB-CG1 4.16Å; L250-I253 VanDerWaalsContact O-CB 3.28Å; L250-I253 WeakPolarHBondContact O-CB 3.43Å; L250-I253 WeakPolarHBondContact O-CG1 3.37Å; L250-I253 PolarHBondContact O-N 3.17Å; T251-I253 VanDerWaalsContact C-N 3.33Å
254P98.6Very high97.1Very high20 Ų2026.5 Ų26.513%0.1317%0.172CC..EExtended strand (participates in β ladder)trans-73131.7-179.628-34.5000112.4K87 A88 V89 I241 G243 L244 S256 V471K87-P254 WeakPolarHBondContact O-CD 3.03Å; K87-P254 VanDerWaalsContact O-CG 3.29Å; K87-P254 WeakPolarHBondContact O-CG 3.27Å; A88-P254 WeakPolarHBondContact CA-O 3.17Å; V89-P254 PolarHBondContact N-O 3.08Å; I241-P254 HydrophobicContact CG1-CB 4.29Å; I241-P254 HydrophobicContact CG2-CB 4.07Å; G243-P254 WeakPolarHBondContact O-CA 3.37Å; L244-P254 HydrophobicContact CD2-CB 3.83Å; P254-S256 PolarHBondContact O-N 3.06Å; P254-S256 PolarHBondContact O-OG 2.97Å; P254-V471 HydrophobicContact CG-CG2 3.99Å
255I98.8Very high96.9Very high0 Ų022.6 Ų22.60%015%0.152CC..EExtended strand (participates in β ladder)trans-77114.7156.7-53.6178.4000106.1V89 V91 I185 L188 T189 Y242 G243 L245V89-I255 WeakPolarHBondContact O-CA 3.31Å; V91-I255 HydrophobicContact CG2-CG2 3.84Å; I185-I255 HydrophobicContact CG1-CG2 4.36Å; L188-I255 HydrophobicContact CB-CD1 3.79Å; L188-I255 HydrophobicContact CD1-CD1 4.17Å; T189-I255 HydrophobicContact CG2-CD1 4.03Å; Y242-I255 HydrophobicContact CD2-CG2 4.22Å; Y242-I255 WeakPolarHBondContact CD2-O 3.24Å; Y242-I255 PolarHBondContact N-O 3.01Å; G243-I255 PolarHBondContact O-N 2.85Å; L245-I255 HydrophobicContact CD1-CG1 4.38Å; L245-I255 HydrophobicContact CD2-CD1 4.26Å; L245-I255 HydrophobicContact CD2-CG1 4.43Å; L245-I255 HydrophobicContact CG-CD1 4.24Å; L245-I255 HydrophobicContact CG-CG1 3.94Å
256S98.8Very high96.7Very high0 Ų022.4 Ų22.40%015%0.151CC..EExtended strand (participates in β ladder)trans-136.6-1.6-167.746.40000115.3A88 V89 S239 E240 P254 A465 A468A88-S256 VanDerWaalsContact CB-OG 3.23Å; A88-S256 WeakPolarHBondContact CB-OG 3.4Å; V89-S256 PolarHBondContact O-N 3.13Å; S239-S256 WeakPolarHBondContact CA-O 3.37Å; E240-S256 CarbonylContact C-O 3.54Å; E240-S256 PolarHBondContact N-O 3.43Å; E240-S256 CarbonylContact O-C 3.58Å; E240-S256 WeakPolarHBondContact O-CA 3.49Å; E240-S256 VanDerWaalsContact O-O 3.11Å; P254-S256 PolarHBondContact O-N 3.06Å; P254-S256 PolarHBondContact O-OG 2.97Å; S256-A465 PolarHBondContact OG-O 3.36Å; S256-A465 VanDerWaalsContact OG-O 3.12Å; S256-A468 WeakPolarHBondContact O-CB 3.15Å
257G98.6Very high96.6Very high0 Ų016.9 Ų16.90%013%0.127CC..EExtended strand (participates in β ladder)trans-132.8139.5170.700000110G90 V91 S238G90-G257 CarbonylContact C-O 3.58Å; G90-G257 WeakPolarHBondContact CA-O 3.49Å; V91-G257 PolarHBondContact N-O 2.97Å; S238-G257 WeakPolarHBondContact O-CA 3.49Å
258C98.8Very high96.6Very high0 Ų014.8 Ų14.80%011%0.11CC..EExtended strand (participates in β ladder)trans-146.7123.8172.5-179.80000109.7V91 D181 I185 D200 S238 Y242V91-C258 VanDerWaalsContact O-CA 3.25Å; V91-C258 WeakPolarHBondContact O-CA 3.38Å; D181-C258 WeakPolarHBondContact CB-SG 3.36Å; I185-C258 HydrophobicContact CD1-CB 4.26Å; D200-C258 HydrophobicContact CB-CB 3.91Å; D200-C258 VanDerWaalsContact CB-O 3.25Å; D200-C258 WeakPolarHBondContact CB-O 3.3Å; D200-C258 VanDerWaalsContact OD2-O 3.05Å; S238-C258 VanDerWaalsContact CA-O 3.29Å; S238-C258 WeakPolarHBondContact CA-O 3.22Å; S238-C258 WeakPolarHBondContact CB-O 3.5Å; S238-C258 PolarHBondContact O-N 3.2Å; Y242-C258 HydrophobicContact CE1-CB 4.16Å; Y242-C258 HydrophobicContact CE2-CB 3.78Å; Y242-C258 VanDerWaalsContact OH-CB 3.3Å; Y242-C258 WeakPolarHBondContact OH-CB 3.01Å; Y242-C258 PolarHBondContact OH-N 3.42Å
259L98.7Very high96.5Very high0 Ų013.8 Ų13.80%010%0.095CC..EExtended strand (participates in β ladder)trans-144.8144.5175.6-69.198.6000109.7V91 T92 T202 A264 V267 A464V91-L259 PolarHBondContact O-N 3.01Å; V91-L259 VanDerWaalsContact O-N 3.1Å; T92-L259 WeakPolarHBondContact CA-O 3.42Å; T92-L259 WeakPolarHBondContact CB-O 3.21Å; T92-L259 PolarHBondContact OG1-O 3.28Å; T202-L259 HydrophobicContact CG2-CD2 4.5Å; T202-L259 WeakPolarHBondContact OG1-CA 3.4Å; L259-A264 HydrophobicContact CB-CB 3.81Å; L259-V267 HydrophobicContact CD2-CB 4.49Å; L259-V267 HydrophobicContact CD2-CG2 3.68Å; L259-A464 HydrophobicContact CD1-CB 3.34Å
260G98.4Very high96.2Very high0 Ų012.9 Ų12.90%08%0.082CC..EExtended strand (participates in β ladder)trans-61.8145.5165.200000110.7T202 N203 Q262 S263 A264T202-G260 PolarHBondContact OG1-N 3.03Å; N203-G260 PolarHBondContact ND2-N 3.11Å; G260-Q262 VanDerWaalsContact C-N 3.33Å; G260-Q262 PolarHBondContact O-N 3.07Å; G260-Q262 VanDerWaalsContact O-N 3.12Å; G260-S263 CarbonylContact O-C 3.56Å; G260-S263 WeakPolarHBondContact O-CA 3.45Å; G260-S263 WeakPolarHBondContact O-CB 3.49Å; G260-S263 PolarHBondContact O-N 2.96Å; G260-A264 PolarHBondContact O-N 3.46Å
261D95.3Very high95.9Very high28 Ų2812.8 Ų12.815%0.158%0.081CC..Hα-helixtrans-41.9-51.2-173.663.8-18.4000115.4T92 N93 R95 S263 A264 A265 T457T92-D261 WeakPolarHBondContact OG1-CA 3.5Å; T92-D261 PolarHBondContact OG1-N 3.46Å; N93-D261 VanDerWaalsContact O-CB 3.29Å; N93-D261 WeakPolarHBondContact O-CB 3.37Å; N93-D261 PolarHBondContact O-N 3.49Å; R95-D261 WeakPolarHBondContact CD-OD1 3.11Å; R95-D261 WeakPolarHBondContact CG-OD1 3.4Å; R95-D261 IonicContact CZ-OD1 3.6Å; R95-D261 IonicContact NE-OD1 2.77Å; R95-D261 PolarHBondContact NE-OD1 2.87Å; D261-S263 PolarHBondContact O-N 3.04Å; D261-A264 WeakPolarHBondContact O-CB 2.99Å; D261-A264 PolarHBondContact O-N 3.05Å; D261-A265 PolarHBondContact O-N 3.29Å; D261-T457 HydrophobicContact CB-CG2 4.01Å
262Q95.1Very high95.5Very high8 Ų811 Ų114%0.0377%0.066CC..Hα-helixtrans-72.1-32.5-176.5-56.6-50.4-44.800112.6R95 G260 L266 K278 T280 F286 L288R95-Q262 VanDerWaalsContact CZ-CG 3.44Å; G260-Q262 VanDerWaalsContact C-N 3.33Å; G260-Q262 PolarHBondContact O-N 3.07Å; G260-Q262 VanDerWaalsContact O-N 3.12Å; Q262-L266 PolarHBondContact O-N 3.4Å; Q262-L266 VanDerWaalsContact O-N 3.12Å; Q262-K278 WeakPolarHBondContact O-CE 3.41Å; Q262-T280 PolarHBondContact OE1-OG1 3.17Å; Q262-F286 HydrophobicContact CG-CB 3.9Å; Q262-F286 HydrophobicContact CG-CD1 4.33Å; Q262-F286 HydrophobicContact CG-CG 4.03Å; Q262-L288 HydrophobicContact CB-CD1 3.59Å; Q262-L288 HydrophobicContact CB-CD2 4.05Å; Q262-L288 HydrophobicContact CG-CD1 4.38Å
263S97.5Very high95Very high1 Ų115.9 Ų15.91%0.0078%0.078CC..Hα-helixtrans-70.4-38.6172.3-70.50000111.4G260 D261 L266 V267 V306 A307G260-S263 CarbonylContact O-C 3.56Å; G260-S263 WeakPolarHBondContact O-CA 3.45Å; G260-S263 WeakPolarHBondContact O-CB 3.49Å; G260-S263 PolarHBondContact O-N 2.96Å; D261-S263 PolarHBondContact O-N 3.04Å; S263-L266 WeakPolarHBondContact O-CB 3.46Å; S263-L266 PolarHBondContact O-N 3.29Å; S263-V267 WeakPolarHBondContact O-CG2 3.37Å; S263-V267 PolarHBondContact O-N 3.12Å; S263-V267 VanDerWaalsContact O-N 3.08Å; S263-V306 PolarHBondContact OG-O 2.91Å; S263-A307 WeakPolarHBondContact CB-O 3.33Å; S263-A307 PolarHBondContact OG-O 3.31Å
264A97Very high94.3Very high0 Ų019.1 Ų19.10%010%0.096CC..Hα-helixtrans-62.8-45.2173.400000110.7T92 L259 G260 D261 L266 V267 G268 T457 G460T92-A264 HydrophobicContact CG2-CB 4.42Å; T92-A264 WeakPolarHBondContact OG1-CB 3.27Å; L259-A264 HydrophobicContact CB-CB 3.81Å; G260-A264 PolarHBondContact O-N 3.46Å; D261-A264 WeakPolarHBondContact O-CB 2.99Å; D261-A264 PolarHBondContact O-N 3.05Å; A264-L266 VanDerWaalsContact C-N 3.3Å; A264-L266 PolarHBondContact O-N 2.82Å; A264-V267 WeakPolarHBondContact O-CB 3.3Å; A264-V267 PolarHBondContact O-N 3.39Å; A264-V267 VanDerWaalsContact O-N 3.1Å; A264-G268 PolarHBondContact O-N 2.96Å; A264-T457 HydrophobicContact CB-CG2 4.23Å; A264-T457 VanDerWaalsContact CB-O 3.31Å; A264-T457 WeakPolarHBondContact CB-O 3.32Å; A264-G460 WeakPolarHBondContact O-CA 3.35Å
265A94.5Very high93.6Very high0 Ų018.7 Ų18.70%010%0.096CC..Hα-helixtrans-59.5-38.6174.600000112.5D261 V267 G268 Q269 K278D261-A265 PolarHBondContact O-N 3.29Å; A265-V267 VanDerWaalsContact C-N 3.35Å; A265-V267 PolarHBondContact O-N 2.88Å; A265-G268 PolarHBondContact O-N 2.87Å; A265-Q269 VanDerWaalsContact O-CB 3.31Å; A265-Q269 WeakPolarHBondContact O-CB 3.1Å; A265-Q269 WeakPolarHBondContact O-CG 3.43Å; A265-Q269 PolarHBondContact O-N 3.26Å; A265-K278 HydrophobicContact CB-CD 4.23Å
266L94.6Very high93.2Very high0 Ų019.8 Ų19.80%010%0.103CC..Hα-helixtrans-60-43.9173.5-171.774.3000111.9Q262 S263 A264 C271 K278 L288 A307Q262-L266 PolarHBondContact O-N 3.4Å; Q262-L266 VanDerWaalsContact O-N 3.12Å; S263-L266 WeakPolarHBondContact O-CB 3.46Å; S263-L266 PolarHBondContact O-N 3.29Å; A264-L266 VanDerWaalsContact C-N 3.3Å; A264-L266 PolarHBondContact O-N 2.82Å; L266-C271 HydrophobicContact CD1-CB 3.33Å; L266-C271 HydrophobicContact CG-CB 3.71Å; L266-C271 WeakPolarHBondContact O-CB 3.25Å; L266-C271 PolarHBondContact O-N 3Å; L266-C271 VanDerWaalsContact O-N 3.1Å; L266-K278 HydrophobicContact CB-CG 4.28Å; L266-K278 HydrophobicContact CD1-CG 3.78Å; L266-L288 HydrophobicContact CD1-CB 4.08Å; L266-L288 HydrophobicContact CD2-CB 4.48Å; L266-A307 HydrophobicContact CD2-CB 3.83Å
267V94.6Very high92.8Very high0 Ų019.9 Ų19.90%010%0.104CC..Hα-helixtrans-67.3-44.2176.1171.30000111.7L259 S263 A264 A265 Q269 M270 F272 Y308 M310 M463L259-V267 HydrophobicContact CD2-CB 4.49Å; L259-V267 HydrophobicContact CD2-CG2 3.68Å; S263-V267 WeakPolarHBondContact O-CG2 3.37Å; S263-V267 PolarHBondContact O-N 3.12Å; S263-V267 VanDerWaalsContact O-N 3.08Å; A264-V267 WeakPolarHBondContact O-CB 3.3Å; A264-V267 PolarHBondContact O-N 3.39Å; A264-V267 VanDerWaalsContact O-N 3.1Å; A265-V267 VanDerWaalsContact C-N 3.35Å; A265-V267 PolarHBondContact O-N 2.88Å; V267-Q269 VanDerWaalsContact C-N 3.25Å; V267-Q269 PolarHBondContact O-N 2.88Å; V267-M270 WeakPolarHBondContact O-CA 3.47Å; V267-M270 PolarHBondContact O-N 3.38Å; V267-F272 HydrophobicContact CB-CE1 4.37Å; V267-F272 HydrophobicContact CG1-CE1 3.96Å; V267-F272 HydrophobicContact CG1-CZ 3.92Å; V267-F272 HydrophobicContact CG2-CE1 4.28Å; V267-Y308 HydrophobicContact CG2-CD1 3.66Å; V267-Y308 HydrophobicContact CG2-CE1 4.37Å; V267-Y308 HydrophobicContact CG2-CG 4.06Å; V267-M310 HydrophobicContact CB-CE 4.12Å; V267-M310 HydrophobicContact CG1-CE 3.5Å; V267-M310 VanDerWaalsContact CG1-CE 3.5Å; V267-M310 HydrophobicContact CG2-CE 3.41Å; V267-M310 VanDerWaalsContact CG2-CE 3.41Å; V267-M463 HydrophobicContact CG1-CB 4.27Å
268G92.6Very high92.6Very high4 Ų419.9 Ų19.94%0.04110%0.104CC..Hα-helixtrans-66.7-27-178.900000113.7A264 A265 M270 T456A264-G268 PolarHBondContact O-N 2.96Å; A265-G268 PolarHBondContact O-N 2.87Å; G268-M270 PolarHBondContact O-N 3.02Å; G268-T456 WeakPolarHBondContact CA-O 3.4Å
269Q90.1Very high92.4Very high17 Ų1719.9 Ų19.98%0.07910%0.104CC..THydrogen-bonded Turntrans-80.41.2170.4-71.1-8020.400113.1A265 V267 C271 K278 Q425 V426 D427 T456A265-Q269 VanDerWaalsContact O-CB 3.31Å; A265-Q269 WeakPolarHBondContact O-CB 3.1Å; A265-Q269 WeakPolarHBondContact O-CG 3.43Å; A265-Q269 PolarHBondContact O-N 3.26Å; V267-Q269 VanDerWaalsContact C-N 3.25Å; V267-Q269 PolarHBondContact O-N 2.88Å; Q269-C271 PolarHBondContact O-N 2.88Å; Q269-K278 HydrophobicContact CB-CB 4.33Å; Q269-K278 HydrophobicContact CG-CB 4.07Å; Q269-Q425 PolarHBondContact O-OE1 2.73Å; Q269-V426 PolarHBondContact NE2-O 2.87Å; Q269-V426 VanDerWaalsContact NE2-O 3.09Å; Q269-D427 WeakPolarHBondContact CG-OD2 3.48Å; Q269-D427 PolarHBondContact NE2-OD2 3.25Å; Q269-T456 HydrophobicContact CG-CG2 3.88Å
270M88.8Confident92.1Very high39 Ų3920.7 Ų20.719%0.19211%0.108CC..THydrogen-bonded Turntrans6030.2-179.1-51.3179.9177.800113.4V267 G268 F272 M463 L481 V484V267-M270 WeakPolarHBondContact O-CA 3.47Å; V267-M270 PolarHBondContact O-N 3.38Å; G268-M270 PolarHBondContact O-N 3.02Å; M270-F272 HydrophobicContact CB-CD2 4.34Å; M270-F272 HydrophobicContact CB-CE2 4.21Å; M270-F272 PolarHBondContact O-N 3.48Å; M270-M463 HydrophobicContact CE-CE 4.42Å; M270-M463 HydrophobicContact CG-CE 4.18Å; M270-L481 HydrophobicContact CB-CD1 4.38Å; M270-L481 HydrophobicContact CE-CB 4.16Å; M270-L481 HydrophobicContact CE-CD2 3.92Å; M270-L481 HydrophobicContact CE-CG 4.44Å; M270-L481 HydrophobicContact CG-CD1 4.25Å; M270-L481 HydrophobicContact SD-CB 3.91Å; M270-L481 HydrophobicContact SD-CD1 3.74Å; M270-L481 HydrophobicContact SD-CD2 4.11Å; M270-L481 HydrophobicContact SD-CG 4.12Å; M270-V484 HydrophobicContact CE-CG2 3.6Å; M270-V484 HydrophobicContact SD-CG2 4.26Å
271C89.8Confident91.7Very high0 Ų020.7 Ų20.70%011%0.108CC..  trans-73.757.9175.4-75.40000111.9L266 Q269 S276 N290 Q425L266-C271 HydrophobicContact CD1-CB 3.33Å; L266-C271 HydrophobicContact CG-CB 3.71Å; L266-C271 WeakPolarHBondContact O-CB 3.25Å; L266-C271 PolarHBondContact O-N 3Å; L266-C271 VanDerWaalsContact O-N 3.1Å; Q269-C271 PolarHBondContact O-N 2.88Å; C271-S276 VanDerWaalsContact CB-CB 3.5Å; C271-N290 PolarHBondContact O-ND2 3.06Å; C271-Q425 PolarHBondContact SG-OE1 2.91Å
272F88.9Confident91.3Very high42 Ų4220.7 Ų20.718%0.18412%0.116CC..  trans-87.5-18.1179.8-59.4-53.6000113.5V267 M270 Y308 M310 M463 L476 L481V267-F272 HydrophobicContact CB-CE1 4.37Å; V267-F272 HydrophobicContact CG1-CE1 3.96Å; V267-F272 HydrophobicContact CG1-CZ 3.92Å; V267-F272 HydrophobicContact CG2-CE1 4.28Å; M270-F272 HydrophobicContact CB-CD2 4.34Å; M270-F272 HydrophobicContact CB-CE2 4.21Å; M270-F272 PolarHBondContact O-N 3.48Å; F272-Y308 HydrophobicContact CD1-CE1 4.17Å; F272-Y308 HydrophobicContact CD1-CE2 4.43Å; F272-Y308 AromaticContact CD1-CZ 3.84Å; F272-M310 HydrophobicContact CE1-CE 4.15Å; F272-M463 HydrophobicContact CE2-CE 4.07Å; F272-M463 HydrophobicContact CZ-CE 3.95Å; F272-L476 HydrophobicContact CZ-CD2 4.26Å; F272-L481 HydrophobicContact CD2-CD1 4.42Å; F272-L481 HydrophobicContact CE2-CD1 4.3Å
273Q86.6Confident90.6Very high143 Ų14323.3 Ų23.367%0.66813%0.132SC*.SBendtrans-82.3148178.7-61.3-177.4-2.500110.8G275 S276Q273-G275 PolarHBondContact O-N 2.81Å; Q273-S276 WeakPolarHBondContact O-CB 3.08Å; Q273-S276 PolarHBondContact O-N 2.7Å; Q273-S276 VanDerWaalsContact O-N 3.1Å; Q273-S276 PolarHBondContact O-OG 3.16Å; Q273-S276 VanDerWaalsContact O-OG 3.13Å
274D84.4Confident90.1Very high100 Ų10023.6 Ų23.654%0.53514%0.135SC..THydrogen-bonded Turntrans-62.1131.8174.9-168.610.3000110S276 T291 G292D274-S276 VanDerWaalsContact C-N 3.32Å; D274-S276 PolarHBondContact O-N 2.74Å; D274-T291 VanDerWaalsContact OD1-C 3.29Å; D274-T291 WeakPolarHBondContact OD1-CA 3.41Å; D274-G292 PolarHBondContact OD1-N 2.97Å
275G84.6Confident89.7Confident11 Ų1123.6 Ų23.611%0.11314%0.135CC..THydrogen-bonded Turntrans82.7-5-174.600000115.7Q273 V277 N290 L421Q273-G275 PolarHBondContact O-N 2.81Å; G275-V277 PolarHBondContact O-N 3.04Å; G275-N290 WeakPolarHBondContact CA-O 3.34Å; G275-N290 PolarHBondContact N-O 3.25Å; G275-L421 WeakPolarHBondContact O-CD2 3.35Å
276S88.5Confident89.5Confident22 Ų2224.7 Ų24.715%0.15414%0.14CC..  trans-61.9137170.7-61.50000110.9C271 Q273 D274 R289 N290C271-S276 VanDerWaalsContact CB-CB 3.5Å; Q273-S276 WeakPolarHBondContact O-CB 3.08Å; Q273-S276 PolarHBondContact O-N 2.7Å; Q273-S276 VanDerWaalsContact O-N 3.1Å; Q273-S276 PolarHBondContact O-OG 3.16Å; Q273-S276 VanDerWaalsContact O-OG 3.13Å; D274-S276 VanDerWaalsContact C-N 3.32Å; D274-S276 PolarHBondContact O-N 2.74Å; S276-R289 WeakPolarHBondContact O-CA 3.47Å; S276-N290 PolarHBondContact O-N 2.83Å
277V91.8Very high89.5Confident3 Ų324.7 Ų24.72%0.01814%0.14CC..EExtended strand (participates in β ladder)trans-132.6138.7-176.9174.90000111.1G275 L288 R289 L410 L421 L424 Q425G275-V277 PolarHBondContact O-N 3.04Å; V277-L288 WeakPolarHBondContact CA-O 3.47Å; V277-R289 HydrophobicContact CG2-CB 3.54Å; V277-R289 HydrophobicContact CG2-CG 3.54Å; V277-L410 HydrophobicContact CG1-CD2 3.9Å; V277-L421 HydrophobicContact CB-CD2 3.72Å; V277-L421 HydrophobicContact CG2-CD1 3.95Å; V277-L421 HydrophobicContact CG2-CD2 3.25Å; V277-L421 HydrophobicContact CG2-CG 4.17Å; V277-L424 HydrophobicContact CG1-CD1 3.7Å; V277-Q425 PolarHBondContact O-N 2.95Å
278K93.8Very high89.5Confident0 Ų024.7 Ų24.70%014%0.14CC..EExtended strand (participates in β ladder)trans-121.3153.1166.271.386.8176.6174.10111.5Q262 A265 L266 Q269 T280 F286 L287 L288 Q425Q262-K278 WeakPolarHBondContact O-CE 3.41Å; A265-K278 HydrophobicContact CB-CD 4.23Å; L266-K278 HydrophobicContact CB-CG 4.28Å; L266-K278 HydrophobicContact CD1-CG 3.78Å; Q269-K278 HydrophobicContact CB-CB 4.33Å; Q269-K278 HydrophobicContact CG-CB 4.07Å; K278-T280 PolarHBondContact NZ-OG1 2.74Å; K278-F286 PolarHBondContact NZ-O 3Å; K278-L287 WeakPolarHBondContact O-CA 3.43Å; K278-L288 PolarHBondContact N-O 2.91Å; K278-L288 PolarHBondContact O-N 2.9Å; K278-Q425 CarbonylContact C-O 3.54Å; K278-Q425 WeakPolarHBondContact CA-O 3.23Å; K278-Q425 HydrophobicContact CB-CB 4.33Å
279N94.6Very high89.6Confident0 Ų024.6 Ų24.60%014%0.138CC..EExtended strand (participates in β ladder)trans-127.5126.3166.3-172.222.5000111.3Y281 C285 F286 L287 T406 L424 Q425 V426 D427N279-Y281 HydrophobicContact CB-CE2 3.95Å; N279-Y281 WeakPolarHBondContact ND2-CE1 3.42Å; N279-Y281 WeakPolarHBondContact ND2-CE2 3.46Å; N279-Y281 PolarHBondContact ND2-OH 3.11Å; N279-C285 WeakPolarHBondContact OD1-CB 3.33Å; N279-F286 PolarHBondContact OD1-N 3.28Å; N279-F286 PolarHBondContact OD1-O 2.88Å; N279-L287 HydrophobicContact CB-CD2 4.3Å; N279-L287 HydrophobicContact CB-CG 3.83Å; N279-L287 VanDerWaalsContact CG-CG 3.49Å; N279-L287 VanDerWaalsContact OD1-CD1 3.25Å; N279-L287 WeakPolarHBondContact OD1-CD1 3.31Å; N279-L287 WeakPolarHBondContact OD1-CG 3.37Å; N279-T406 VanDerWaalsContact ND2-CG2 3.32Å; N279-T406 WeakPolarHBondContact ND2-CG2 3.06Å; N279-T406 PolarHBondContact ND2-OG1 3.4Å; N279-L424 HydrophobicContact CB-CD1 4.01Å; N279-L424 HydrophobicContact CB-CD2 4.34Å; N279-L424 HydrophobicContact CB-CG 4.49Å; N279-Q425 PolarHBondContact N-O 3.38Å; N279-V426 VanDerWaalsContact O-CA 3.31Å; N279-V426 WeakPolarHBondContact O-CA 3.27Å; N279-D427 PolarHBondContact O-N 2.96Å; N279-D427 VanDerWaalsContact O-N 3.08Å
280T92Very high89.8Confident16 Ų1623.8 Ų23.810%0.09814%0.135CC..EExtended strand (participates in β ladder)trans-96.4117.5174.5-60.30000109.8Q262 K278 C285 F286 D427Q262-T280 PolarHBondContact OE1-OG1 3.17Å; K278-T280 PolarHBondContact NZ-OG1 2.74Å; T280-C285 VanDerWaalsContact O-CA 3.25Å; T280-C285 WeakPolarHBondContact O-CA 3.49Å; T280-F286 PolarHBondContact N-O 2.58Å; T280-F286 PolarHBondContact O-N 2.87Å; T280-D427 CarbonylContact C-O 3.59Å; T280-D427 WeakPolarHBondContact CA-O 3.4Å; T280-D427 VanDerWaalsContact CA-OD1 3.28Å; T280-D427 WeakPolarHBondContact CA-OD1 3.29Å; T280-D427 WeakPolarHBondContact CB-OD1 3.41Å; T280-D427 VanDerWaalsContact CG2-OD1 3.23Å; T280-D427 WeakPolarHBondContact CG2-OD1 3.4Å; T280-D427 PolarHBondContact OG1-OD1 2.81Å
281Y90.6Very high90Very high0 Ų022.3 Ų22.30%013%0.128CC..EExtended strand (participates in β ladder)trans-95.792.8176.6-63-101000111.5N279 C285 V402 V426 D427 G428 G429 M430 T431 L436 M437 Q440N279-Y281 HydrophobicContact CB-CE2 3.95Å; N279-Y281 WeakPolarHBondContact ND2-CE1 3.42Å; N279-Y281 WeakPolarHBondContact ND2-CE2 3.46Å; N279-Y281 PolarHBondContact ND2-OH 3.11Å; Y281-C285 WeakPolarHBondContact CD1-SG 3.43Å; Y281-V402 HydrophobicContact CD1-CG1 3.88Å; Y281-V402 HydrophobicContact CE1-CG1 3.88Å; Y281-V426 HydrophobicContact CD2-CB 4.25Å; Y281-V426 HydrophobicContact CD2-CG1 4.45Å; Y281-V426 HydrophobicContact CE2-CB 3.9Å; Y281-V426 HydrophobicContact CE2-CG1 3.63Å; Y281-D427 PolarHBondContact N-O 2.88Å; Y281-G428 CarbonylContact O-C 3.4Å; Y281-G428 VanDerWaalsContact O-C 3.32Å; Y281-G428 WeakPolarHBondContact O-CA 3.44Å; Y281-G429 PolarHBondContact O-N 3.14Å; Y281-G429 VanDerWaalsContact O-N 3.1Å; Y281-M430 PolarHBondContact O-N 3.12Å; Y281-T431 HydrophobicContact CD2-CG2 3.85Å; Y281-T431 HydrophobicContact CG-CG2 4.45Å; Y281-L436 HydrophobicContact CD1-CD2 4.23Å; Y281-M437 HydrophobicContact CD2-CE 4.48Å; Y281-M437 HydrophobicContact CE2-CE 4.35Å; Y281-Q440 VanDerWaalsContact OH-CG 3.29Å; Y281-Q440 WeakPolarHBondContact OH-CG 3.49Å; Y281-Q440 PolarHBondContact OH-OE1 3.06Å
282G86.9Confident90.2Very high29 Ų2922.7 Ų22.730%0.29913%0.132SC..SBendtrans-114.3-141.8173.300000111.9G284 G328G282-G284 CarbonylContact C-O 3.46Å; G282-G284 VanDerWaalsContact C-O 3.26Å; G282-G284 WeakPolarHBondContact CA-O 3.47Å; G282-G284 PolarHBondContact N-O 3.48Å; G282-G284 PolarHBondContact O-N 3.32Å; G282-G328 VanDerWaalsContact O-CA 3.29Å; G282-G328 WeakPolarHBondContact O-CA 3.49Å; G282-G328 PolarHBondContact O-N 3.09Å
283T80.8Confident90.5Very high63 Ų6324.5 Ų24.539%0.38715%0.147SC..SBendtrans-55.4-41.9170.8-550000111.1A327 G328 A329T283-A327 CarbonylContact O-C 3.53Å; T283-A327 PolarHBondContact O-N 3.17Å; T283-G328 PolarHBondContact O-N 3.32Å; T283-A329 HydrophobicContact CG2-CB 3.9Å; T283-A329 PolarHBondContact O-N 3.07Å
284G85.9Confident90.7Very high7 Ų727.1 Ų27.17%0.07215%0.15CC..SBendtrans-115.4-178.2163.600000111.5G282 V324 A325G282-G284 CarbonylContact C-O 3.46Å; G282-G284 VanDerWaalsContact C-O 3.26Å; G282-G284 WeakPolarHBondContact CA-O 3.47Å; G282-G284 PolarHBondContact N-O 3.48Å; G282-G284 PolarHBondContact O-N 3.32Å; G284-V324 CarbonylContact C-O 3.43Å; G284-V324 WeakPolarHBondContact CA-O 3.27Å; G284-A325 WeakPolarHBondContact CA-O 3.39Å
285C88.9Confident91.2Very high0 Ų024.2 Ų24.20%014%0.137CC..EExtended strand (participates in β ladder)trans-109.2139.6169.2-66.70000111.3N279 T280 Y281 L287 S323 V324 A327N279-C285 WeakPolarHBondContact OD1-CB 3.33Å; T280-C285 VanDerWaalsContact O-CA 3.25Å; T280-C285 WeakPolarHBondContact O-CA 3.49Å; Y281-C285 WeakPolarHBondContact CD1-SG 3.43Å; C285-L287 HydrophobicContact CB-CD1 4.23Å; C285-S323 CarbonylContact O-C 3.58Å; C285-S323 WeakPolarHBondContact O-CA 3.45Å; C285-V324 HydrophobicContact CB-CB 3.93Å; C285-V324 HydrophobicContact CB-CG2 4.17Å; C285-V324 PolarHBondContact N-O 3.46Å; C285-V324 PolarHBondContact O-N 3.33Å; C285-A327 HydrophobicContact CB-CB 4.4Å; C285-A327 WeakPolarHBondContact SG-CB 3.35Å
286F91.5Very high91.6Very high23 Ų2325.4 Ų25.410%0.10114%0.142CC..EExtended strand (participates in β ladder)trans-128.9109.8176-65.9-85000109.9W115 Q262 K278 N279 T280W115-F286 AromaticContact CH2-CZ 4Å; W115-F286 HydrophobicContact CH2-CZ 4Å; W115-F286 HydrophobicContact CZ2-CZ 4.49Å; W115-F286 HydrophobicContact CZ3-CZ 4.35Å; Q262-F286 HydrophobicContact CG-CB 3.9Å; Q262-F286 HydrophobicContact CG-CD1 4.33Å; Q262-F286 HydrophobicContact CG-CG 4.03Å; K278-F286 PolarHBondContact NZ-O 3Å; N279-F286 PolarHBondContact OD1-N 3.28Å; N279-F286 PolarHBondContact OD1-O 2.88Å; T280-F286 PolarHBondContact N-O 2.58Å; T280-F286 PolarHBondContact O-N 2.87Å
287L94.1Very high91.9Very high0 Ų027.4 Ų27.40%015%0.15CC..EExtended strand (participates in β ladder)trans-98.6126.9179.3-68.389.3000109.2K278 N279 C285 E321 G322 T406 I409 L410 M413K278-L287 WeakPolarHBondContact O-CA 3.43Å; N279-L287 HydrophobicContact CB-CD2 4.3Å; N279-L287 HydrophobicContact CB-CG 3.83Å; N279-L287 VanDerWaalsContact CG-CG 3.49Å; N279-L287 VanDerWaalsContact OD1-CD1 3.25Å; N279-L287 WeakPolarHBondContact OD1-CD1 3.31Å; N279-L287 WeakPolarHBondContact OD1-CG 3.37Å; C285-L287 HydrophobicContact CB-CD1 4.23Å; L287-E321 VanDerWaalsContact O-CA 3.3Å; L287-E321 WeakPolarHBondContact O-CA 3.17Å; L287-G322 PolarHBondContact N-O 2.83Å; L287-G322 PolarHBondContact O-N 3.47Å; L287-T406 HydrophobicContact CD1-CG2 4.44Å; L287-T406 HydrophobicContact CD2-CG2 3.86Å; L287-I409 HydrophobicContact CB-CG2 3.84Å; L287-I409 HydrophobicContact CD1-CB 4.11Å; L287-I409 HydrophobicContact CD1-CG1 4.28Å; L287-I409 HydrophobicContact CD1-CG2 3.97Å; L287-I409 HydrophobicContact CD2-CB 4.14Å; L287-I409 HydrophobicContact CD2-CG2 3.9Å; L287-I409 HydrophobicContact CG-CG2 4.11Å; L287-L410 HydrophobicContact CD2-CD1 4.3Å; L287-L410 HydrophobicContact CD2-CD2 3.38Å; L287-L410 HydrophobicContact CD2-CG 3.54Å; L287-M413 HydrophobicContact CB-CE 3.68Å; L287-M413 HydrophobicContact CB-SD 4.39Å; L287-M413 VanDerWaalsContact O-CE 3.27Å; L287-M413 WeakPolarHBondContact O-CE 3.37Å
288L95Very high91.9Very high0 Ų027.3 Ų27.30%015%0.149CC..EExtended strand (participates in β ladder)trans-124.6133.1172.7-82.275.1000109.6Q262 L266 V277 K278 L320 E321Q262-L288 HydrophobicContact CB-CD1 3.59Å; Q262-L288 HydrophobicContact CB-CD2 4.05Å; Q262-L288 HydrophobicContact CG-CD1 4.38Å; L266-L288 HydrophobicContact CD1-CB 4.08Å; L266-L288 HydrophobicContact CD2-CB 4.48Å; V277-L288 WeakPolarHBondContact CA-O 3.47Å; K278-L288 PolarHBondContact N-O 2.91Å; K278-L288 PolarHBondContact O-N 2.9Å; L288-L320 WeakPolarHBondContact CA-O 3.48Å; L288-E321 HydrophobicContact CD1-CB 4.36Å; L288-E321 HydrophobicContact CD1-CG 3.81Å; L288-E321 HydrophobicContact CG-CB 4.16Å; L288-E321 HydrophobicContact CG-CG 4.16Å
289R94Very high91.7Very high1 Ų134.1 Ų34.10%0.00419%0.185CC..EExtended strand (participates in β ladder)trans-113.9122.7174.1178.8170.2-177.9147.39.1110.2S276 V277 T291 A319 L320 M413 N414 S417 I419S276-R289 WeakPolarHBondContact O-CA 3.47Å; V277-R289 HydrophobicContact CG2-CB 3.54Å; V277-R289 HydrophobicContact CG2-CG 3.54Å; R289-T291 HydrophobicContact CG-CG2 4.43Å; R289-T291 PolarHBondContact O-N 3.35Å; R289-A319 CarbonylContact O-C 3.56Å; R289-A319 WeakPolarHBondContact O-CA 3.45Å; R289-A319 WeakPolarHBondContact O-CB 3.37Å; R289-L320 HydrophobicContact CB-CB 4.36Å; R289-L320 PolarHBondContact N-O 3.2Å; R289-L320 PolarHBondContact O-N 2.85Å; R289-M413 HydrophobicContact CB-CE 4.43Å; R289-M413 HydrophobicContact CB-SD 3.84Å; R289-N414 PolarHBondContact NH1-OD1 3.4Å; R289-N414 VanDerWaalsContact NH1-OD1 3.12Å; R289-S417 PolarHBondContact NE-OG 2.74Å; R289-S417 PolarHBondContact NH1-OG 2.77Å; R289-S417 PolarHBondContact NH2-OG 3.38Å; R289-I419 VanDerWaalsContact CZ-O 3.31Å; R289-I419 PolarHBondContact NH1-O 2.95Å; R289-I419 PolarHBondContact NH2-O 3.11Å
290N93.9Very high91.4Very high0 Ų036.4 Ų36.40%020%0.198CC..EExtended strand (participates in β ladder)trans-65.7131.2168.9-167.8-26.7000109.7C271 G275 S276 G292 Y308C271-N290 PolarHBondContact O-ND2 3.06Å; G275-N290 WeakPolarHBondContact CA-O 3.34Å; G275-N290 PolarHBondContact N-O 3.25Å; S276-N290 PolarHBondContact O-N 2.83Å; N290-G292 PolarHBondContact OD1-N 2.78Å; N290-Y308 PolarHBondContact ND2-OH 3.08Å
291T93.8Very high91.1Very high9 Ų936.8 Ų36.86%0.05521%0.205CC..  trans-118.919.4-179.453.60000112.4D274 R289 V296 Y318 L320D274-T291 VanDerWaalsContact OD1-C 3.29Å; D274-T291 WeakPolarHBondContact OD1-CA 3.41Å; R289-T291 HydrophobicContact CG-CG2 4.43Å; R289-T291 PolarHBondContact O-N 3.35Å; T291-V296 HydrophobicContact CG2-CB 4.2Å; T291-V296 HydrophobicContact CG2-CG2 3.91Å; T291-Y318 PolarHBondContact N-O 3.39Å; T291-Y318 WeakPolarHBondContact OG1-CB 3.39Å; T291-Y318 PolarHBondContact OG1-O 3.08Å; T291-L320 HydrophobicContact CG2-CB 4.44Å; T291-L320 HydrophobicContact CG2-CD1 4.32Å; T291-L320 HydrophobicContact CG2-CG 4.03Å
292G93.9Very high91.3Very high8 Ų836.9 Ų36.98%0.08221%0.205CC..THydrogen-bonded Turntrans65.3-146.1-177.300000112.1D274 N290 R294 Y317 Y318D274-G292 PolarHBondContact OD1-N 2.97Å; N290-G292 PolarHBondContact OD1-N 2.78Å; G292-R294 VanDerWaalsContact C-N 3.32Å; G292-R294 PolarHBondContact O-N 2.85Å; G292-Y317 CarbonylContact O-C 3.55Å; G292-Y317 VanDerWaalsContact O-CA 3.29Å; G292-Y317 WeakPolarHBondContact O-CA 3.47Å; G292-Y318 PolarHBondContact O-N 3.4Å
293T95.1Very high91.6Very high80 Ų8035.7 Ų35.749%0.49119%0.192SC..THydrogen-bonded Turntrans-90.39.3-174.462.70000113.8P315 T316 Y317 Y318T293-P315 HydrophobicContact CG2-CB 3.92Å; T293-T316 WeakPolarHBondContact CA-O 3.46Å; T293-Y317 HydrophobicContact CG2-CE1 4.37Å; T293-Y317 HydrophobicContact CG2-CE2 4.26Å; T293-Y318 WeakPolarHBondContact O-CE2 3.19Å
294R91.1Very high92.4Very high198 Ų19832.7 Ų32.775%0.74717%0.174SC*.SBendtrans-117.9125.9-179.7-62.6-175.776.4172.32.6109.8G292 V296G292-R294 VanDerWaalsContact C-N 3.32Å; G292-R294 PolarHBondContact O-N 2.85Å; R294-V296 PolarHBondContact O-N 2.74Å
295P94.1Very high93Very high38 Ų3832.4 Ų32.425%0.24717%0.17CC..  trans-69.6118175.227.3-31.2000109.6I212 T304 Y318I212-P295 HydrophobicContact CD1-CB 4.33Å; P295-T304 HydrophobicContact CB-CG2 3.94Å; P295-Y318 HydrophobicContact CB-CD1 3.79Å; P295-Y318 HydrophobicContact CB-CD2 4.36Å; P295-Y318 HydrophobicContact CB-CE1 4.01Å; P295-Y318 HydrophobicContact CB-CG 3.97Å; P295-Y318 HydrophobicContact CG-CE1 4.4Å; P295-Y318 HydrophobicContact CG-CE2 4.47Å
296V94.3Very high93.5Very high37 Ų3732.4 Ų32.422%0.22417%0.17CC..  trans-87.9114.4173.2177.90000108.7T291 R294 S298 T304 L320 D416T291-V296 HydrophobicContact CG2-CB 4.2Å; T291-V296 HydrophobicContact CG2-CG2 3.91Å; R294-V296 PolarHBondContact O-N 2.74Å; V296-S298 PolarHBondContact O-N 3.02Å; V296-T304 WeakPolarHBondContact O-CB 3.28Å; V296-T304 WeakPolarHBondContact O-CG2 3.47Å; V296-T304 PolarHBondContact O-OG1 3.12Å; V296-L320 HydrophobicContact CB-CD1 4.3Å; V296-L320 HydrophobicContact CB-CD2 4.38Å; V296-L320 HydrophobicContact CB-CG 4.24Å; V296-L320 HydrophobicContact CG1-CD1 3.93Å; V296-L320 HydrophobicContact CG1-CD2 4.34Å; V296-L320 HydrophobicContact CG1-CG 4.33Å; V296-L320 VanDerWaalsContact O-CD2 3.27Å; V296-L320 WeakPolarHBondContact O-CD2 3.28Å; V296-D416 HydrophobicContact CG1-CB 4.43Å; V296-D416 WeakPolarHBondContact CG1-O 3.43Å
297M94.3Very high93.8Very high64 Ų6431.3 Ų31.332%0.31517%0.166SC..  trans-82.7114.6175.3-60.6-54.6-59.900109.4R140 T304R140-M297 HydrophobicContact CG-CE 3.78Å; R140-M297 WeakPolarHBondContact O-CE 3.23Å; M297-T304 HydrophobicContact SD-CG2 3.99Å
298S92.5Very high93.9Very high0 Ų031.6 Ų31.60%017%0.167CC..  trans-67.8149.6-176.6124.90000112.6R140 V296 N300 G301 L302 D416R140-S298 PolarHBondContact NH1-O 3.17Å; R140-S298 PolarHBondContact NH2-O 3.07Å; R140-S298 PolarHBondContact NH2-OG 2.94Å; V296-S298 PolarHBondContact O-N 3.02Å; S298-N300 PolarHBondContact OG-N 2.91Å; S298-G301 PolarHBondContact OG-N 2.79Å; S298-L302 WeakPolarHBondContact CB-O 3.46Å; S298-L302 WeakPolarHBondContact OG-CA 3.46Å; S298-L302 PolarHBondContact OG-N 2.71Å; S298-L302 PolarHBondContact OG-O 2.76Å; S298-D416 WeakPolarHBondContact CA-OD2 3.13Å; S298-D416 WeakPolarHBondContact CB-OD2 3.37Å; S298-D416 PolarHBondContact OG-OD2 2.77Å
299N88.6Confident94.1Very high143 Ų14333.5 Ų33.577%0.76518%0.175SC*.SBendtrans-110.70.4164.9-65.5-59.9000111.9D416N299-D416 PolarHBondContact N-OD1 3.42Å
300N89.1Confident94.2Very high49 Ų4935.1 Ų35.126%0.26218%0.183SC..SBendtrans-114.829.5-173.2-64.8-73.6000112.9S298 L302 P372 A412 Q415 D416S298-N300 PolarHBondContact OG-N 2.91Å; N300-L302 VanDerWaalsContact C-N 3.29Å; N300-L302 PolarHBondContact O-N 2.86Å; N300-P372 WeakPolarHBondContact O-CB 3.38Å; N300-A412 HydrophobicContact CB-CB 3.73Å; N300-Q415 PolarHBondContact OD1-OE1 2.55Å; N300-D416 PolarHBondContact ND2-OD1 3.06Å
301G85.2Confident94.4Very high24 Ų2435.7 Ų35.725%0.24719%0.189CC..SBendtrans77.75.6173.500000115.4S298 W374S298-G301 PolarHBondContact OG-N 2.79Å; G301-W374 PolarHBondContact O-NE1 2.77Å
302L93.7Very high94.4Very high2 Ų243.9 Ų43.91%0.0122%0.219CC..PPolyproline II helixtrans-77156.8172.7-53.2175000112.8R140 S298 N300 L320 A371 I409 A412 M413R140-L302 PolarHBondContact NH2-O 3.04Å; R140-L302 VanDerWaalsContact NH2-O 3.17Å; S298-L302 WeakPolarHBondContact CB-O 3.46Å; S298-L302 WeakPolarHBondContact OG-CA 3.46Å; S298-L302 PolarHBondContact OG-N 2.71Å; S298-L302 PolarHBondContact OG-O 2.76Å; N300-L302 VanDerWaalsContact C-N 3.29Å; N300-L302 PolarHBondContact O-N 2.86Å; L302-L320 HydrophobicContact CB-CD2 4.35Å; L302-L320 HydrophobicContact CD1-CB 4.47Å; L302-L320 HydrophobicContact CD1-CD1 4.41Å; L302-A371 HydrophobicContact CD2-CB 4.26Å; L302-I409 HydrophobicContact CD2-CD1 4.27Å; L302-I409 HydrophobicContact CD2-CG2 4.02Å; L302-A412 HydrophobicContact CD1-CB 4.03Å; L302-A412 HydrophobicContact CD2-CB 4.2Å; L302-A412 HydrophobicContact CG-CB 4.12Å; L302-M413 HydrophobicContact CD1-CB 4.08Å; L302-M413 HydrophobicContact CD1-CG 3.37Å
303L95.1Very high94.5Very high4 Ų450.4 Ų50.42%0.02125%0.252CS..EExtended strand (participates in β ladder)trans-84.1142.1173.3-52.1-179.2000110.2L145 P146 F151 L320 E321 W374L145-L303 HydrophobicContact CD2-CB 4.16Å; L145-L303 HydrophobicContact CD2-CD1 4.28Å; L145-L303 HydrophobicContact CD2-CD2 4.16Å; L145-L303 HydrophobicContact CD2-CG 4.43Å; P146-L303 HydrophobicContact CG-CD2 4.1Å; F151-L303 HydrophobicContact CE1-CD1 4.36Å; F151-L303 HydrophobicContact CZ-CD1 4.12Å; F151-L303 HydrophobicContact CZ-CD2 4.11Å; L303-L320 CarbonylContact O-C 3.46Å; L303-L320 WeakPolarHBondContact O-CA 3.39Å; L303-E321 HydrophobicContact CB-CB 4.21Å; L303-E321 PolarHBondContact N-O 3.31Å; L303-E321 PolarHBondContact O-N 3.1Å; L303-W374 HydrophobicContact CD2-CZ2 4.31Å
304T97.1Very high94.5Very high0 Ų052.7 Ų52.70%026%0.255CS..EExtended strand (participates in β ladder)trans-100.9127.9165.4-51.40000107.5G144 I212 P295 V296 M297G144-T304 CarbonylContact C-O 3.58Å; G144-T304 WeakPolarHBondContact CA-O 3.41Å; G144-T304 PolarHBondContact O-N 2.69Å; G144-T304 VanDerWaalsContact O-N 3.07Å; I212-T304 HydrophobicContact CD1-CG2 3.84Å; P295-T304 HydrophobicContact CB-CG2 3.94Å; V296-T304 WeakPolarHBondContact O-CB 3.28Å; V296-T304 WeakPolarHBondContact O-CG2 3.47Å; V296-T304 PolarHBondContact O-OG1 3.12Å; M297-T304 HydrophobicContact SD-CG2 3.99Å
305T97.9Very high94.8Very high1 Ų146.6 Ų46.61%0.00624%0.241CC..EExtended strand (participates in β ladder)trans-145169.6-173.4-162.10000111.8S205 R206 Y318 A319 E321S205-T305 PolarHBondContact OG-OG1 3.27Å; R206-T305 WeakPolarHBondContact CD-OG1 3.45Å; R206-T305 VanDerWaalsContact NH1-CB 3.26Å; R206-T305 PolarHBondContact NH1-OG1 3.1Å; T305-Y318 CarbonylContact O-C 3.5Å; T305-Y318 WeakPolarHBondContact O-CA 3.47Å; T305-A319 HydrophobicContact CG2-CB 4.01Å; T305-A319 PolarHBondContact N-O 2.77Å; T305-A319 PolarHBondContact O-N 2.79Å; T305-E321 HydrophobicContact CG2-CB 4.24Å
306V98.4Very high95Very high0 Ų045.6 Ų45.60%023%0.234CC..EExtended strand (participates in β ladder)trans-83.9123.7173.7178.50000108.5V201 T202 I212 M215 S263 T316 Y318V201-V306 HydrophobicContact CB-CG1 4.05Å; V201-V306 HydrophobicContact CG2-CG1 3.69Å; T202-V306 HydrophobicContact CG2-CG1 4.26Å; I212-V306 HydrophobicContact CB-CG2 4.37Å; I212-V306 HydrophobicContact CG2-CG2 4.19Å; M215-V306 HydrophobicContact CE-CG2 3.75Å; M215-V306 HydrophobicContact SD-CG2 4.39Å; S263-V306 PolarHBondContact OG-O 2.91Å; V306-T316 HydrophobicContact CG1-CG2 3.68Å; V306-T316 HydrophobicContact CG2-CG2 4.44Å; V306-Y318 HydrophobicContact CG2-CD1 4.37Å; V306-Y318 HydrophobicContact CG2-CE1 4.2Å
307A97.8Very high95.1Very high0 Ų047.1 Ų47.10%024%0.236CC..EExtended strand (participates in β ladder)trans-74.1-55176.600000110.5T202 S263 L266 Y317 A319T202-A307 WeakPolarHBondContact CG2-O 3.42Å; S263-A307 WeakPolarHBondContact CB-O 3.33Å; S263-A307 PolarHBondContact OG-O 3.31Å; L266-A307 HydrophobicContact CD2-CB 3.83Å; A307-Y317 WeakPolarHBondContact CB-O 3.47Å; A307-Y317 PolarHBondContact N-O 3.12Å; A307-A319 HydrophobicContact CB-CB 3.96Å
308Y98.2Very high95.3Very high6 Ų644.9 Ų44.92%0.02422%0.224CC..EExtended strand (participates in β ladder)trans-171.7164.9178.551.1-98.9000110.7V267 F272 N290 M310 Y317V267-Y308 HydrophobicContact CG2-CD1 3.66Å; V267-Y308 HydrophobicContact CG2-CE1 4.37Å; V267-Y308 HydrophobicContact CG2-CG 4.06Å; F272-Y308 HydrophobicContact CD1-CE1 4.17Å; F272-Y308 HydrophobicContact CD1-CE2 4.43Å; F272-Y308 AromaticContact CD1-CZ 3.84Å; N290-Y308 PolarHBondContact ND2-OH 3.08Å; Y308-M310 HydrophobicContact CD2-CE 4.13Å; Y308-M310 HydrophobicContact CD2-CG 3.85Å; Y308-M310 HydrophobicContact CE2-CG 4.35Å; Y308-M310 HydrophobicContact CG-CE 4.06Å; Y308-Y317 HydrophobicContact CD2-CD2 4.07Å; Y308-Y317 HydrophobicContact CD2-CG 4.21Å; Y308-Y317 HydrophobicContact CE2-CD1 4.12Å; Y308-Y317 AromaticContact CE2-CD2 3.36Å; Y308-Y317 HydrophobicContact CE2-CD2 3.36Å; Y308-Y317 HydrophobicContact CE2-CE2 4.04Å; Y308-Y317 AromaticContact CE2-CG 3.41Å; Y308-Y317 HydrophobicContact CE2-CG 3.41Å; Y308-Y317 VanDerWaalsContact CE2-CG 3.41Å; Y308-Y317 AromaticContact CZ-CD1 3.9Å; Y308-Y317 AromaticContact CZ-CG 3.57Å; Y308-Y317 PolarHBondContact N-O 3.07Å; Y308-Y317 PolarHBondContact O-N 2.66Å; Y308-Y317 VanDerWaalsContact OH-CD1 3.3Å; Y308-Y317 WeakPolarHBondContact OH-CD1 3.37Å
309K98.1Very high95.5Very high40 Ų4044.9 Ų44.917%0.17422%0.224CC..  trans-138.2104.4165.4-177178.3174159.70109.7V201 S237 S238 G311 R312 K314V201-K309 HydrophobicContact CG2-CB 3.66Å; S237-K309 WeakPolarHBondContact CB-O 3.32Å; S238-K309 WeakPolarHBondContact CA-O 3.5Å; S238-K309 WeakPolarHBondContact CB-O 3.48Å; S238-K309 PolarHBondContact N-O 3.12Å; S238-K309 PolarHBondContact OG-N 3.07Å; K309-G311 WeakPolarHBondContact CE-O 3.24Å; K309-G311 WeakPolarHBondContact CG-O 3.33Å; K309-G311 PolarHBondContact O-N 2.91Å; K309-R312 WeakPolarHBondContact CE-O 3.21Å; K309-R312 PolarHBondContact NZ-O 2.83Å; K309-K314 WeakPolarHBondContact CE-O 3.49Å
310M97.1Very high95.9Very high35 Ų3538.1 Ų38.117%0.17219%0.188CC..  trans-82.949.9-171.1-63.9-56-172.700113.8V267 F272 Y308 K314 A464 L476V267-M310 HydrophobicContact CB-CE 4.12Å; V267-M310 HydrophobicContact CG1-CE 3.5Å; V267-M310 VanDerWaalsContact CG1-CE 3.5Å; V267-M310 HydrophobicContact CG2-CE 3.41Å; V267-M310 VanDerWaalsContact CG2-CE 3.41Å; F272-M310 HydrophobicContact CE1-CE 4.15Å; Y308-M310 HydrophobicContact CD2-CE 4.13Å; Y308-M310 HydrophobicContact CD2-CG 3.85Å; Y308-M310 HydrophobicContact CE2-CG 4.35Å; Y308-M310 HydrophobicContact CG-CE 4.06Å; M310-K314 WeakPolarHBondContact O-CG 3.28Å; M310-A464 HydrophobicContact CE-CB 4.42Å; M310-A464 HydrophobicContact SD-CB 4.17Å; M310-L476 HydrophobicContact CE-CD1 4.25Å; M310-L476 HydrophobicContact CG-CD1 4.09Å; M310-L476 HydrophobicContact SD-CD1 4.14Å
311G96.8Very high96.2Very high12 Ų1235.8 Ų35.812%0.12418%0.176CC..SBendtrans135.3153.1-179.500000112.8S237 S239 K309 D313 K314S237-G311 WeakPolarHBondContact CB-O 3.44Å; S237-G311 VanDerWaalsContact OG-C 3.26Å; S237-G311 WeakPolarHBondContact OG-CA 3.41Å; S237-G311 PolarHBondContact OG-N 2.81Å; S239-G311 WeakPolarHBondContact O-CA 3.36Å; K309-G311 WeakPolarHBondContact CE-O 3.24Å; K309-G311 WeakPolarHBondContact CG-O 3.33Å; K309-G311 PolarHBondContact O-N 2.91Å; G311-D313 VanDerWaalsContact C-N 3.32Å; G311-D313 PolarHBondContact O-N 3.46Å; G311-K314 PolarHBondContact O-N 2.7Å
312R95.2Very high96.5Very high181 Ų18134.7 Ų34.768%0.68316%0.164SC*.THydrogen-bonded Turntrans-55.3-45.5-175.8-176.8177.5178.1177.2-2.7113.1S237 K309S237-R312 PolarHBondContact OG-N 2.82Å; K309-R312 WeakPolarHBondContact CE-O 3.21Å; K309-R312 PolarHBondContact NZ-O 2.83Å
313D94.6Very high96.1Very high145 Ų14534.9 Ų34.978%0.77517%0.166SC*.THydrogen-bonded Turntrans-101.29.4-174.9-55.1-44.7000112.9G311G311-D313 VanDerWaalsContact C-N 3.32Å; G311-D313 PolarHBondContact O-N 3.46Å
314K95.7Very high95.6Very high128 Ų12835 Ų3556%0.55717%0.167SC*.SBendtrans-88.3155.5175.2-66.3-68.2-171.2166.40110.9K309 M310 G311K309-K314 WeakPolarHBondContact CE-O 3.49Å; M310-K314 WeakPolarHBondContact O-CG 3.28Å; G311-K314 PolarHBondContact O-N 2.7Å
315P96.8Very high94.5Very high70 Ų7036.2 Ų36.246%0.45518%0.177SC..PPolyproline II helixtrans-62.4149175.525-33.4000111.8T293 Y317T293-P315 HydrophobicContact CG2-CB 3.92Å; P315-Y317 HydrophobicContact CB-CE2 4.47Å; P315-Y317 HydrophobicContact CG-CE2 3.98Å
316T98Very high93.7Very high16 Ų1637 Ų3710%0.09818%0.181CC..PPolyproline II helixtrans-82.1135169.3-57.30000109.3M215 T293 V306 Y318M215-T316 HydrophobicContact CE-CG2 4.08Å; M215-T316 HydrophobicContact SD-CG2 3.75Å; T293-T316 WeakPolarHBondContact CA-O 3.46Å; V306-T316 HydrophobicContact CG1-CG2 3.68Å; V306-T316 HydrophobicContact CG2-CG2 4.44Å; T316-Y318 HydrophobicContact CG2-CE1 4.29Å; T316-Y318 HydrophobicContact CG2-CE2 4.19Å
317Y97.8Very high93.2Very high69 Ų6937 Ų3727%0.27118%0.181SC..EExtended strand (participates in β ladder)trans-103.7145.8170.1-75.3-108.4000110.2G292 T293 A307 Y308 P315G292-Y317 CarbonylContact O-C 3.55Å; G292-Y317 VanDerWaalsContact O-CA 3.29Å; G292-Y317 WeakPolarHBondContact O-CA 3.47Å; T293-Y317 HydrophobicContact CG2-CE1 4.37Å; T293-Y317 HydrophobicContact CG2-CE2 4.26Å; A307-Y317 WeakPolarHBondContact CB-O 3.47Å; A307-Y317 PolarHBondContact N-O 3.12Å; Y308-Y317 HydrophobicContact CD2-CD2 4.07Å; Y308-Y317 HydrophobicContact CD2-CG 4.21Å; Y308-Y317 HydrophobicContact CE2-CD1 4.12Å; Y308-Y317 AromaticContact CE2-CD2 3.36Å; Y308-Y317 HydrophobicContact CE2-CD2 3.36Å; Y308-Y317 HydrophobicContact CE2-CE2 4.04Å; Y308-Y317 AromaticContact CE2-CG 3.41Å; Y308-Y317 HydrophobicContact CE2-CG 3.41Å; Y308-Y317 VanDerWaalsContact CE2-CG 3.41Å; Y308-Y317 AromaticContact CZ-CD1 3.9Å; Y308-Y317 AromaticContact CZ-CG 3.57Å; Y308-Y317 PolarHBondContact N-O 3.07Å; Y308-Y317 PolarHBondContact O-N 2.66Å; Y308-Y317 VanDerWaalsContact OH-CD1 3.3Å; Y308-Y317 WeakPolarHBondContact OH-CD1 3.37Å; P315-Y317 HydrophobicContact CB-CE2 4.47Å; P315-Y317 HydrophobicContact CG-CE2 3.98Å
318Y97.8Very high92.7Very high18 Ų1837.5 Ų37.57%0.07119%0.186CC..EExtended strand (participates in β ladder)trans-114.4160.1-177.7-63.3-87000111.3I212 M215 T291 G292 T293 P295 T305 V306 T316I212-Y318 HydrophobicContact CB-CE1 4.33Å; I212-Y318 VanDerWaalsContact O-CE1 3.24Å; I212-Y318 WeakPolarHBondContact O-CE1 3.16Å; I212-Y318 PolarHBondContact O-OH 2.85Å; M215-Y318 HydrophobicContact CE-CE1 4.07Å; T291-Y318 PolarHBondContact N-O 3.39Å; T291-Y318 WeakPolarHBondContact OG1-CB 3.39Å; T291-Y318 PolarHBondContact OG1-O 3.08Å; G292-Y318 PolarHBondContact O-N 3.4Å; T293-Y318 WeakPolarHBondContact O-CE2 3.19Å; P295-Y318 HydrophobicContact CB-CD1 3.79Å; P295-Y318 HydrophobicContact CB-CD2 4.36Å; P295-Y318 HydrophobicContact CB-CE1 4.01Å; P295-Y318 HydrophobicContact CB-CG 3.97Å; P295-Y318 HydrophobicContact CG-CE1 4.4Å; P295-Y318 HydrophobicContact CG-CE2 4.47Å; T305-Y318 CarbonylContact O-C 3.5Å; T305-Y318 WeakPolarHBondContact O-CA 3.47Å; V306-Y318 HydrophobicContact CG2-CD1 4.37Å; V306-Y318 HydrophobicContact CG2-CE1 4.2Å; T316-Y318 HydrophobicContact CG2-CE1 4.29Å; T316-Y318 HydrophobicContact CG2-CE2 4.19Å
319A96.9Very high92Very high0 Ų038.1 Ų38.10%019%0.192CC..EExtended strand (participates in β ladder)trans-133150.8172.300000112.9R289 T305 A307R289-A319 CarbonylContact O-C 3.56Å; R289-A319 WeakPolarHBondContact O-CA 3.45Å; R289-A319 WeakPolarHBondContact O-CB 3.37Å; T305-A319 HydrophobicContact CG2-CB 4.01Å; T305-A319 PolarHBondContact N-O 2.77Å; T305-A319 PolarHBondContact O-N 2.79Å; A307-A319 HydrophobicContact CB-CB 3.96Å
320L95.8Very high91.7Very high0 Ų036.2 Ų36.20%018%0.184CC..EExtended strand (participates in β ladder)trans-87134.8153.9-75.2172.8000108.4L288 R289 T291 V296 L302 L303 M413 D416L288-L320 WeakPolarHBondContact CA-O 3.48Å; R289-L320 HydrophobicContact CB-CB 4.36Å; R289-L320 PolarHBondContact N-O 3.2Å; R289-L320 PolarHBondContact O-N 2.85Å; T291-L320 HydrophobicContact CG2-CB 4.44Å; T291-L320 HydrophobicContact CG2-CD1 4.32Å; T291-L320 HydrophobicContact CG2-CG 4.03Å; V296-L320 HydrophobicContact CB-CD1 4.3Å; V296-L320 HydrophobicContact CB-CD2 4.38Å; V296-L320 HydrophobicContact CB-CG 4.24Å; V296-L320 HydrophobicContact CG1-CD1 3.93Å; V296-L320 HydrophobicContact CG1-CD2 4.34Å; V296-L320 HydrophobicContact CG1-CG 4.33Å; V296-L320 VanDerWaalsContact O-CD2 3.27Å; V296-L320 WeakPolarHBondContact O-CD2 3.28Å; L302-L320 HydrophobicContact CB-CD2 4.35Å; L302-L320 HydrophobicContact CD1-CB 4.47Å; L302-L320 HydrophobicContact CD1-CD1 4.41Å; L303-L320 CarbonylContact O-C 3.46Å; L303-L320 WeakPolarHBondContact O-CA 3.39Å; L320-M413 HydrophobicContact CB-CG 4.47Å; L320-M413 WeakPolarHBondContact O-CE 3.41Å; L320-D416 HydrophobicContact CD1-CB 3.77Å
321E95.4Very high91.4Very high0 Ų035.2 Ų35.20%018%0.18CC..EExtended strand (participates in β ladder)trans-125.4133.6178.4176.9179.7149.300110.7R95 R206 L287 L288 L303 T305R95-E321 IonicContact CZ-OE1 3.24Å; R95-E321 IonicContact CZ-OE2 3.94Å; R95-E321 IonicContact NH1-OE1 2.71Å; R95-E321 PolarHBondContact NH1-OE1 3.31Å; R95-E321 IonicContact NH1-OE2 2.64Å; R95-E321 PolarHBondContact NH1-OE2 2.88Å; R95-E321 IonicContact NH2-OE1 3.21Å; R95-E321 PolarHBondContact NH2-OE1 3.35Å; R95-E321 IonicContact NH2-OE2 3.67Å; R206-E321 IonicContact CZ-OE1 3.53Å; R206-E321 IonicContact CZ-OE2 3.89Å; R206-E321 IonicContact NH1-OE1 3.85Å; R206-E321 IonicContact NH1-OE2 3.95Å; R206-E321 PolarHBondContact NH1-OE2 2.93Å; R206-E321 IonicContact NH2-OE1 3.06Å; R206-E321 PolarHBondContact NH2-OE1 3.01Å; R206-E321 IonicContact NH2-OE2 3.39Å; R206-E321 PolarHBondContact NH2-OE2 2.76Å; L287-E321 VanDerWaalsContact O-CA 3.3Å; L287-E321 WeakPolarHBondContact O-CA 3.17Å; L288-E321 HydrophobicContact CD1-CB 4.36Å; L288-E321 HydrophobicContact CD1-CG 3.81Å; L288-E321 HydrophobicContact CG-CB 4.16Å; L288-E321 HydrophobicContact CG-CG 4.16Å; L303-E321 HydrophobicContact CB-CB 4.21Å; L303-E321 PolarHBondContact N-O 3.31Å; L303-E321 PolarHBondContact O-N 3.1Å; T305-E321 HydrophobicContact CG2-CB 4.24Å
322G92.4Very high90.9Very high1 Ų140.8 Ų40.81%0.0120%0.197CC..EExtended strand (participates in β ladder)trans-126.9141.816900000110.4L287L287-G322 PolarHBondContact N-O 2.83Å; L287-G322 PolarHBondContact O-N 3.47Å
323S85.8Confident90.7Very high6 Ų635.5 Ų35.54%0.04218%0.177CC..EExtended strand (participates in β ladder)trans-122139.5-17955.80000111C285 Y370C285-S323 CarbonylContact O-C 3.58Å; C285-S323 WeakPolarHBondContact O-CA 3.45Å; S323-Y370 WeakPolarHBondContact O-CB 3.25Å
324V83.6Confident90.7Very high6 Ų628.6 Ų28.64%0.03614%0.14CC..EExtended strand (participates in β ladder)trans-113.9114.2169.8-179.10000106.2G284 C285 I326 Q405 I409G284-V324 CarbonylContact C-O 3.43Å; G284-V324 WeakPolarHBondContact CA-O 3.27Å; C285-V324 HydrophobicContact CB-CB 3.93Å; C285-V324 HydrophobicContact CB-CG2 4.17Å; C285-V324 PolarHBondContact N-O 3.46Å; C285-V324 PolarHBondContact O-N 3.33Å; V324-I326 VanDerWaalsContact C-N 3.33Å; V324-I326 PolarHBondContact O-N 3.33Å; V324-Q405 HydrophobicContact CB-CB 4.42Å; V324-Q405 HydrophobicContact CG1-CB 3.64Å; V324-Q405 HydrophobicContact CG1-CG 4.07Å; V324-Q405 VanDerWaalsContact CG1-OE1 3.28Å; V324-Q405 HydrophobicContact CG2-CB 3.85Å; V324-I409 HydrophobicContact CG2-CG1 3.97Å
325A74.3Confident90.5Very high27 Ų2725.6 Ų25.622%0.22313%0.128CC..SBendtrans-67.9-33.8-175.800000113.6G284 Y370G284-A325 WeakPolarHBondContact CA-O 3.39Å; A325-Y370 HydrophobicContact CB-CD2 3.25Å; A325-Y370 HydrophobicContact CB-CE2 3.08Å; A325-Y370 HydrophobicContact CB-CG 4.17Å
326I81.7Confident89.9Confident18 Ų1827.8 Ų27.89%0.09214%0.136CC..  trans-11697.2-173.3-51.6-59.7000110V324 A329 V330 P364 F366 Q405V324-I326 VanDerWaalsContact C-N 3.33Å; V324-I326 PolarHBondContact O-N 3.33Å; I326-A329 HydrophobicContact CD1-CB 4.03Å; I326-A329 HydrophobicContact CG2-CB 4.02Å; I326-V330 HydrophobicContact CG2-CB 4.12Å; I326-P364 HydrophobicContact CB-CB 4.38Å; I326-P364 HydrophobicContact CB-CG 4.4Å; I326-P364 VanDerWaalsContact CB-O 3.27Å; I326-P364 WeakPolarHBondContact CB-O 3.45Å; I326-P364 VanDerWaalsContact CG1-O 3.27Å; I326-P364 WeakPolarHBondContact CG1-O 3.45Å; I326-P364 HydrophobicContact CG2-CB 3.74Å; I326-P364 HydrophobicContact CG2-CG 4.14Å; I326-P364 WeakPolarHBondContact CG2-O 3.49Å; I326-F366 HydrophobicContact CD1-CB 4.42Å; I326-F366 HydrophobicContact CD1-CD2 4.11Å; I326-F366 HydrophobicContact CG1-CB 4.47Å; I326-F366 HydrophobicContact CG1-CD2 4.17Å; I326-F366 HydrophobicContact CG2-CD2 3.68Å; I326-F366 HydrophobicContact CG2-CE2 3.7Å; I326-Q405 PolarHBondContact O-NE2 3.38Å
327A88.1Confident89.4Confident0 Ų032.6 Ų32.60%016%0.161CC..SBendtrans-117.8-91.9169.300000109.3T283 C285 A329 V330 V402 M430T283-A327 CarbonylContact O-C 3.53Å; T283-A327 PolarHBondContact O-N 3.17Å; C285-A327 HydrophobicContact CB-CB 4.4Å; C285-A327 WeakPolarHBondContact SG-CB 3.35Å; A327-A329 PolarHBondContact O-N 2.9Å; A327-A329 VanDerWaalsContact O-N 3.11Å; A327-V330 WeakPolarHBondContact O-CG1 3.42Å; A327-V330 PolarHBondContact O-N 3.46Å; A327-V402 HydrophobicContact CB-CG1 3.97Å; A327-V402 HydrophobicContact CB-CG2 4.4Å; A327-M430 HydrophobicContact CB-SD 4.05Å
328G86.1Confident89.1Confident9 Ų933.1 Ų33.19%0.09317%0.168CC..Hα-helixtrans-60.5-23.4176.600000113.8G282 T283 V330 V331 R332 M430G282-G328 VanDerWaalsContact O-CA 3.29Å; G282-G328 WeakPolarHBondContact O-CA 3.49Å; G282-G328 PolarHBondContact O-N 3.09Å; T283-G328 PolarHBondContact O-N 3.32Å; G328-V330 PolarHBondContact O-N 3.16Å; G328-V331 WeakPolarHBondContact O-CB 3.46Å; G328-V331 PolarHBondContact O-N 2.84Å; G328-V331 VanDerWaalsContact O-N 3.11Å; G328-R332 PolarHBondContact O-N 3.15Å; G328-M430 WeakPolarHBondContact CA-SD 3.44Å; G328-M430 PolarHBondContact N-SD 3.46Å
329A85.1Confident88.9Confident19 Ų1935.1 Ų35.116%0.15719%0.194CC..Hα-helixtrans-59.6-29.9171.500000113.2T283 I326 A327 V331 R332 W333T283-A329 HydrophobicContact CG2-CB 3.9Å; T283-A329 PolarHBondContact O-N 3.07Å; I326-A329 HydrophobicContact CD1-CB 4.03Å; I326-A329 HydrophobicContact CG2-CB 4.02Å; A327-A329 PolarHBondContact O-N 2.9Å; A327-A329 VanDerWaalsContact O-N 3.11Å; A329-V331 VanDerWaalsContact C-N 3.3Å; A329-V331 PolarHBondContact O-N 3.36Å; A329-R332 PolarHBondContact O-N 3.3Å; A329-W333 WeakPolarHBondContact O-CB 3.12Å; A329-W333 PolarHBondContact O-N 3.29Å
330V90.4Very high88.7Confident0 Ų036.3 Ų36.30%020%0.2CC..Hα-helixtrans-66.3-35.4175.283.90000111.7I326 A327 G328 W333 L334 F362 P364 F366 A398 V402I326-V330 HydrophobicContact CG2-CB 4.12Å; A327-V330 WeakPolarHBondContact O-CG1 3.42Å; A327-V330 PolarHBondContact O-N 3.46Å; G328-V330 PolarHBondContact O-N 3.16Å; V330-W333 PolarHBondContact O-N 2.87Å; V330-L334 WeakPolarHBondContact O-CG 3.35Å; V330-L334 PolarHBondContact O-N 2.96Å; V330-F362 HydrophobicContact CG2-CD1 4.06Å; V330-F362 HydrophobicContact CG2-CE1 3.44Å; V330-F362 VanDerWaalsContact CG2-CE1 3.44Å; V330-F362 HydrophobicContact CG2-CZ 3.77Å; V330-P364 HydrophobicContact CB-CB 4.21Å; V330-P364 HydrophobicContact CG2-CB 3.7Å; V330-F366 HydrophobicContact CG2-CE2 4.38Å; V330-F366 HydrophobicContact CG2-CZ 4.17Å; V330-A398 HydrophobicContact CG1-CB 4.19Å; V330-A398 HydrophobicContact CG2-CB 4.31Å; V330-V402 HydrophobicContact CG1-CG2 4.16Å
331V91.4Very high88.6Confident14 Ų1436.5 Ų36.59%0.08520%0.201CC..Hα-helixtrans-67.9-48.6178.1-178.10000109.8G328 A329 W333 L334 Q335 I341 L347 M430G328-V331 WeakPolarHBondContact O-CB 3.46Å; G328-V331 PolarHBondContact O-N 2.84Å; G328-V331 VanDerWaalsContact O-N 3.11Å; A329-V331 VanDerWaalsContact C-N 3.3Å; A329-V331 PolarHBondContact O-N 3.36Å; V331-W333 VanDerWaalsContact C-N 3.31Å; V331-W333 PolarHBondContact O-N 2.87Å; V331-L334 PolarHBondContact O-N 3.25Å; V331-Q335 PolarHBondContact O-N 3.46Å; V331-Q335 VanDerWaalsContact O-N 3.1Å; V331-I341 HydrophobicContact CG1-CD1 3.89Å; V331-L347 HydrophobicContact CB-CD2 4.25Å; V331-L347 HydrophobicContact CG1-CD2 3.89Å; V331-L347 HydrophobicContact CG2-CD2 3.58Å; V331-M430 HydrophobicContact CG2-CE 3.77Å
332R86.5Confident88.4Confident130 Ų13040.9 Ų40.949%0.49123%0.232SC..Hα-helixtrans-60.1-42175.5-65.4-173.9-163.8156.25111.8G328 A329 L334 Q335 D336G328-R332 PolarHBondContact O-N 3.15Å; A329-R332 PolarHBondContact O-N 3.3Å; R332-L334 VanDerWaalsContact C-N 3.35Å; R332-L334 PolarHBondContact O-N 3.17Å; R332-Q335 CarbonylContact O-C 3.58Å; R332-Q335 WeakPolarHBondContact O-CA 3.25Å; R332-Q335 WeakPolarHBondContact O-CB 3.41Å; R332-Q335 PolarHBondContact O-N 2.97Å; R332-Q335 VanDerWaalsContact O-N 3.07Å; R332-D336 WeakPolarHBondContact O-CB 3.48Å; R332-D336 PolarHBondContact O-N 3.27Å
333W90.8Very high88.4Confident69 Ų6942.9 Ų42.926%0.26125%0.246SC..Hα-helixtrans-62.1-40.9177.2-178.586.3000112.6A329 V330 V331 Q335 N337 L338 F362 F366A329-W333 WeakPolarHBondContact O-CB 3.12Å; A329-W333 PolarHBondContact O-N 3.29Å; V330-W333 PolarHBondContact O-N 2.87Å; V331-W333 VanDerWaalsContact C-N 3.31Å; V331-W333 PolarHBondContact O-N 2.87Å; W333-Q335 PolarHBondContact O-N 3.27Å; W333-N337 HydrophobicContact CD2-CB 4.47Å; W333-N337 HydrophobicContact CG-CB 4.21Å; W333-N337 WeakPolarHBondContact O-CA 3.47Å; W333-N337 VanDerWaalsContact O-CB 3.31Å; W333-N337 WeakPolarHBondContact O-CB 3.25Å; W333-N337 PolarHBondContact O-N 2.64Å; W333-L338 HydrophobicContact CH2-CB 4.35Å; W333-L338 HydrophobicContact CH2-CD1 4.33Å; W333-L338 HydrophobicContact CH2-CD2 3.82Å; W333-L338 HydrophobicContact CH2-CG 4.41Å; W333-L338 HydrophobicContact CZ3-CB 4.24Å; W333-L338 HydrophobicContact CZ3-CD2 3.71Å; W333-L338 PolarHBondContact O-N 3.13Å; W333-L338 VanDerWaalsContact O-N 3.11Å; W333-F362 HydrophobicContact CE3-CE1 4.26Å; W333-F362 AromaticContact CE3-CZ 3.88Å; W333-F362 HydrophobicContact CE3-CZ 3.88Å; W333-F362 HydrophobicContact CH2-CZ 4.36Å; W333-F362 HydrophobicContact CZ3-CE1 4.02Å; W333-F362 AromaticContact CZ3-CZ 3.61Å; W333-F362 HydrophobicContact CZ3-CZ 3.61Å; W333-F366 HydrophobicContact CB-CE2 3.8Å; W333-F366 HydrophobicContact CB-CZ 4.05Å; W333-F366 HydrophobicContact CD2-CE1 4.18Å; W333-F366 HydrophobicContact CD2-CE2 4.28Å; W333-F366 AromaticContact CD2-CZ 3.65Å; W333-F366 HydrophobicContact CD2-CZ 3.65Å; W333-F366 AromaticContact CE3-CZ 3.92Å; W333-F366 HydrophobicContact CE3-CZ 3.92Å; W333-F366 HydrophobicContact CG-CE1 4.43Å; W333-F366 AromaticContact CG-CE2 3.82Å; W333-F366 HydrophobicContact CG-CE2 3.82Å; W333-F366 AromaticContact CG-CZ 3.69Å; W333-F366 HydrophobicContact CG-CZ 3.69Å
334L93.4Very high88.5Confident1 Ų145.7 Ų45.71%0.00527%0.265CS..Hα-helixtrans-63.3-30.5174.2-74.2174.4000112.9V330 V331 R332 L338 G339 I340 I341 L347 F362 A398V330-L334 WeakPolarHBondContact O-CG 3.35Å; V330-L334 PolarHBondContact O-N 2.96Å; V331-L334 PolarHBondContact O-N 3.25Å; R332-L334 VanDerWaalsContact C-N 3.35Å; R332-L334 PolarHBondContact O-N 3.17Å; L334-L338 HydrophobicContact CD2-CD2 3.91Å; L334-G339 PolarHBondContact O-N 3.42Å; L334-G339 VanDerWaalsContact O-N 3.14Å; L334-I340 HydrophobicContact CD2-CD1 4.32Å; L334-I340 PolarHBondContact O-N 2.97Å; L334-I341 HydrophobicContact CB-CD1 4.07Å; L334-I341 HydrophobicContact CB-CG1 4.21Å; L334-L347 HydrophobicContact CD1-CD1 3.73Å; L334-F362 HydrophobicContact CD2-CE1 4.24Å; L334-F362 HydrophobicContact CG-CE1 4.48Å; L334-A398 HydrophobicContact CD1-CB 3.62Å
335Q91.5Very high88.9Confident65 Ų6550.1 Ų50.130%0.30429%0.289SS..Hα-helixtrans-78.1-62.6177.5-176.8-179.5-7.600111.5V331 R332 W333 G339 I341 S342V331-Q335 PolarHBondContact O-N 3.46Å; V331-Q335 VanDerWaalsContact O-N 3.1Å; R332-Q335 CarbonylContact O-C 3.58Å; R332-Q335 WeakPolarHBondContact O-CA 3.25Å; R332-Q335 WeakPolarHBondContact O-CB 3.41Å; R332-Q335 PolarHBondContact O-N 2.97Å; R332-Q335 VanDerWaalsContact O-N 3.07Å; W333-Q335 PolarHBondContact O-N 3.27Å; Q335-G339 WeakPolarHBondContact O-CA 3.33Å; Q335-G339 PolarHBondContact O-N 2.85Å; Q335-I341 WeakPolarHBondContact CA-O 3.37Å; Q335-I341 HydrophobicContact CB-CD1 4.16Å; Q335-I341 HydrophobicContact CB-CG1 3.76Å; Q335-I341 HydrophobicContact CG-CG1 4.44Å; Q335-S342 PolarHBondContact NE2-O 3.28Å
336D85.3Confident89.9Confident115 Ų11550.8 Ų50.862%0.61529%0.287SS*.Hα-helixtrans-80.9-33.9-165.8-58.8-24.7000112.2R332R332-D336 WeakPolarHBondContact O-CB 3.48Å; R332-D336 PolarHBondContact O-N 3.27Å
337N86.6Confident90.5Very high117 Ų11750 Ų5063%0.62628%0.283SS*.THydrogen-bonded Turntrans-101.2-44.1-174.9-62.482.5000112.9W333W333-N337 HydrophobicContact CD2-CB 4.47Å; W333-N337 HydrophobicContact CG-CB 4.21Å; W333-N337 WeakPolarHBondContact O-CA 3.47Å; W333-N337 VanDerWaalsContact O-CB 3.31Å; W333-N337 WeakPolarHBondContact O-CB 3.25Å; W333-N337 PolarHBondContact O-N 2.64Å
338L92.3Very high90.8Very high80 Ų8052.4 Ų52.442%0.41930%0.295SS..THydrogen-bonded Turntrans-95.7-16.2-175.8-155.861.7000113.4W333 L334 I340W333-L338 HydrophobicContact CH2-CB 4.35Å; W333-L338 HydrophobicContact CH2-CD1 4.33Å; W333-L338 HydrophobicContact CH2-CD2 3.82Å; W333-L338 HydrophobicContact CH2-CG 4.41Å; W333-L338 HydrophobicContact CZ3-CB 4.24Å; W333-L338 HydrophobicContact CZ3-CD2 3.71Å; W333-L338 PolarHBondContact O-N 3.13Å; W333-L338 VanDerWaalsContact O-N 3.11Å; L334-L338 HydrophobicContact CD2-CD2 3.91Å; L338-I340 HydrophobicContact CB-CG1 4.19Å; L338-I340 HydrophobicContact CD2-CD1 3.3Å; L338-I340 HydrophobicContact CD2-CG1 3.85Å; L338-I340 HydrophobicContact CG-CD1 3.81Å; L338-I340 HydrophobicContact CG-CG1 3.79Å; L338-I340 PolarHBondContact O-N 3.34Å
339G93.6Very high91.2Very high60 Ų6058.2 Ų58.262%0.61932%0.321SS*.  trans61.724.217800000114.2L334 Q335L334-G339 PolarHBondContact O-N 3.42Å; L334-G339 VanDerWaalsContact O-N 3.14Å; Q335-G339 WeakPolarHBondContact O-CA 3.33Å; Q335-G339 PolarHBondContact O-N 2.85Å
340I92.9Very high91.7Very high25 Ų2558.2 Ų58.213%0.12832%0.318CS..SBendtrans-77.6-31.5-178-71.4-167.9000111.6L334 L338 K391 L394L334-I340 HydrophobicContact CD2-CD1 4.32Å; L334-I340 PolarHBondContact O-N 2.97Å; L338-I340 HydrophobicContact CB-CG1 4.19Å; L338-I340 HydrophobicContact CD2-CD1 3.3Å; L338-I340 HydrophobicContact CD2-CG1 3.85Å; L338-I340 HydrophobicContact CG-CD1 3.81Å; L338-I340 HydrophobicContact CG-CG1 3.79Å; L338-I340 PolarHBondContact O-N 3.34Å; I340-K391 HydrophobicContact CG2-CB 3.5Å; I340-K391 VanDerWaalsContact CG2-CB 3.5Å; I340-K391 HydrophobicContact CG2-CD 4.07Å; I340-K391 HydrophobicContact CG2-CG 4.41Å; I340-K391 PolarHBondContact O-NZ 3.15Å; I340-L394 HydrophobicContact CD1-CD1 3.78Å
341I93.8Very high91.9Very high4 Ų458.2 Ų58.22%0.02132%0.318CS..  trans-129156-179.565.6177.5000109.4V331 L334 Q335 E346 L347 L350V331-I341 HydrophobicContact CG1-CD1 3.89Å; L334-I341 HydrophobicContact CB-CD1 4.07Å; L334-I341 HydrophobicContact CB-CG1 4.21Å; Q335-I341 WeakPolarHBondContact CA-O 3.37Å; Q335-I341 HydrophobicContact CB-CD1 4.16Å; Q335-I341 HydrophobicContact CB-CG1 3.76Å; Q335-I341 HydrophobicContact CG-CG1 4.44Å; I341-E346 HydrophobicContact CB-CB 4.37Å; I341-L347 HydrophobicContact CD1-CB 3.87Å; I341-L347 HydrophobicContact CD1-CD1 4.01Å; I341-L347 HydrophobicContact CD1-CG 4.46Å; I341-L347 HydrophobicContact CG2-CB 4.35Å; I341-L347 HydrophobicContact CG2-CD1 4.17Å; I341-L350 HydrophobicContact CG2-CD1 3.8Å
342S91.4Very high92Very high92 Ų9259.8 Ų59.864%0.64334%0.337SS*.SBendtrans-104.7-16.9177.5-36.30000111.9Q335 E346Q335-S342 PolarHBondContact NE2-O 3.28Å; S342-E346 VanDerWaalsContact CB-OE2 3.3Å; S342-E346 WeakPolarHBondContact CB-OE2 3.47Å; S342-E346 PolarHBondContact N-OE2 3.48Å; S342-E346 PolarHBondContact OG-OE2 3.47Å
343S91Very high92.4Very high43 Ų4357 Ų5730%0.30134%0.338SS..SBendtrans-157164.9178.769.40000111.1D345 E346 L347S343-D345 PolarHBondContact O-N 3.26Å; S343-D345 PolarHBondContact OG-N 2.84Å; S343-E346 PolarHBondContact O-N 3.26Å; S343-E346 PolarHBondContact OG-N 3.02Å; S343-L347 PolarHBondContact O-N 2.82Å
344S88.8Confident92.3Very high65 Ų6555 Ų5546%0.45533%0.333SS..Hα-helixtrans-59.1-33.7171.655.20000113E346 L347 E348S344-E346 VanDerWaalsContact C-N 3.35Å; S344-L347 VanDerWaalsContact O-CB 3.27Å; S344-L347 WeakPolarHBondContact O-CB 2.9Å; S344-L347 PolarHBondContact O-N 3.49Å; S344-E348 PolarHBondContact O-N 3.24Å
345D92.6Very high91.7Very high100 Ų10057.3 Ų57.354%0.53536%0.357SS..Hα-helixtrans-72-34.7-178.9-59.3-10.4000110.3S343 L347 E348 M349S343-D345 PolarHBondContact O-N 3.26Å; S343-D345 PolarHBondContact OG-N 2.84Å; D345-L347 VanDerWaalsContact C-N 3.27Å; D345-L347 PolarHBondContact O-N 3.43Å; D345-E348 PolarHBondContact O-N 2.75Å; D345-M349 WeakPolarHBondContact O-CG 3.48Å; D345-M349 PolarHBondContact O-N 3.16Å; D345-M349 VanDerWaalsContact O-N 3.12Å
346E94.5Very high91.6Very high40 Ų4055.8 Ų55.819%0.18735%0.352CS..Hα-helixtrans-62-36.9172.4-170.3-177.1171.500111.4I341 S342 S343 S344 E348 M349 L350 K391I341-E346 HydrophobicContact CB-CB 4.37Å; S342-E346 VanDerWaalsContact CB-OE2 3.3Å; S342-E346 WeakPolarHBondContact CB-OE2 3.47Å; S342-E346 PolarHBondContact N-OE2 3.48Å; S342-E346 PolarHBondContact OG-OE2 3.47Å; S343-E346 PolarHBondContact O-N 3.26Å; S343-E346 PolarHBondContact OG-N 3.02Å; S344-E346 VanDerWaalsContact C-N 3.35Å; E346-E348 PolarHBondContact O-N 3.46Å; E346-M349 HydrophobicContact CB-CE 4.35Å; E346-M349 PolarHBondContact O-N 2.66Å; E346-L350 HydrophobicContact CG-CD1 3.96Å; E346-L350 HydrophobicContact CG-CG 4.12Å; E346-L350 WeakPolarHBondContact O-CB 3.46Å; E346-L350 VanDerWaalsContact O-CG 3.29Å; E346-L350 WeakPolarHBondContact O-CG 3.35Å; E346-L350 PolarHBondContact O-N 2.98Å; E346-K391 IonicContact OE1-NZ 2.65Å; E346-K391 PolarHBondContact OE1-NZ 3.43Å
347L94.1Very high91.6Very high2 Ų250.4 Ų50.41%0.0132%0.323CS..Hα-helixtrans-58.3-47.2175.6-17482000111.6V331 L334 I341 S343 S344 D345 L350 A351 S395 L399V331-L347 HydrophobicContact CB-CD2 4.25Å; V331-L347 HydrophobicContact CG1-CD2 3.89Å; V331-L347 HydrophobicContact CG2-CD2 3.58Å; L334-L347 HydrophobicContact CD1-CD1 3.73Å; I341-L347 HydrophobicContact CD1-CB 3.87Å; I341-L347 HydrophobicContact CD1-CD1 4.01Å; I341-L347 HydrophobicContact CD1-CG 4.46Å; I341-L347 HydrophobicContact CG2-CB 4.35Å; I341-L347 HydrophobicContact CG2-CD1 4.17Å; S343-L347 PolarHBondContact O-N 2.82Å; S344-L347 VanDerWaalsContact O-CB 3.27Å; S344-L347 WeakPolarHBondContact O-CB 2.9Å; S344-L347 PolarHBondContact O-N 3.49Å; D345-L347 VanDerWaalsContact C-N 3.27Å; D345-L347 PolarHBondContact O-N 3.43Å; L347-L350 PolarHBondContact O-N 3.46Å; L347-A351 VanDerWaalsContact O-CB 3.29Å; L347-A351 WeakPolarHBondContact O-CB 3.42Å; L347-A351 PolarHBondContact O-N 2.92Å; L347-S395 VanDerWaalsContact CD1-CB 3.49Å; L347-L399 HydrophobicContact CD2-CD2 3.59Å; L347-L399 HydrophobicContact CD2-CG 4Å
348E94.7Very high91.7Very high51 Ų5151.2 Ų51.224%0.23832%0.318CS..Hα-helixtrans-61.9-46.7179.1-171168.7-172.800111.3S344 D345 E346 L350 A351 G352 N433 K434 L435S344-E348 PolarHBondContact O-N 3.24Å; D345-E348 PolarHBondContact O-N 2.75Å; E346-E348 PolarHBondContact O-N 3.46Å; E348-L350 PolarHBondContact O-N 2.84Å; E348-A351 PolarHBondContact O-N 3.19Å; E348-G352 PolarHBondContact O-N 3.32Å; E348-N433 WeakPolarHBondContact CB-ND2 3.48Å; E348-N433 WeakPolarHBondContact OE2-CA 3.37Å; E348-K434 PolarHBondContact OE1-N 3.3Å; E348-L435 HydrophobicContact CG-CB 4.14Å; E348-L435 PolarHBondContact OE1-N 3.39Å
349M94.8Very high91.5Very high131 Ų13149.1 Ų49.165%0.64532%0.316SS*.Hα-helixtrans-61.2-44.4178.2-69.1-171.5-70.200112.3D345 E346 S353D345-M349 WeakPolarHBondContact O-CG 3.48Å; D345-M349 PolarHBondContact O-N 3.16Å; D345-M349 VanDerWaalsContact O-N 3.12Å; E346-M349 HydrophobicContact CB-CE 4.35Å; E346-M349 PolarHBondContact O-N 2.66Å; M349-S353 PolarHBondContact O-N 2.9Å
350L95Very high91.6Very high19 Ų1946.2 Ų46.210%0.09929%0.287CS..Hα-helixtrans-66-47.8179.3-72.9176.1000111.5I341 E346 L347 E348 S353 K391 R392I341-L350 HydrophobicContact CG2-CD1 3.8Å; E346-L350 HydrophobicContact CG-CD1 3.96Å; E346-L350 HydrophobicContact CG-CG 4.12Å; E346-L350 WeakPolarHBondContact O-CB 3.46Å; E346-L350 VanDerWaalsContact O-CG 3.29Å; E346-L350 WeakPolarHBondContact O-CG 3.35Å; E346-L350 PolarHBondContact O-N 2.98Å; L347-L350 PolarHBondContact O-N 3.46Å; E348-L350 PolarHBondContact O-N 2.84Å; L350-S353 PolarHBondContact O-N 3.4Å; L350-S353 PolarHBondContact O-OG 2.75Å; L350-K391 HydrophobicContact CD1-CD 4.12Å; L350-R392 HydrophobicContact CB-CG 4.28Å; L350-R392 HydrophobicContact CD2-CG 3.92Å; L350-R392 WeakPolarHBondContact O-CB 3.31Å
351A95Very high91.8Very high0 Ų046 Ų460%028%0.284CS..Hα-helixtrans-62-45.4178.100000111.2L347 E348 S353 V354 G355 F396 L399 L435L347-A351 VanDerWaalsContact O-CB 3.29Å; L347-A351 WeakPolarHBondContact O-CB 3.42Å; L347-A351 PolarHBondContact O-N 2.92Å; E348-A351 PolarHBondContact O-N 3.19Å; A351-S353 PolarHBondContact O-N 3.39Å; A351-S353 VanDerWaalsContact O-N 3.13Å; A351-V354 WeakPolarHBondContact O-CG2 3.47Å; A351-V354 PolarHBondContact O-N 2.96Å; A351-G355 PolarHBondContact O-N 3.4Å; A351-F396 HydrophobicContact CB-CB 4.07Å; A351-F396 HydrophobicContact CB-CD2 4.13Å; A351-F396 WeakPolarHBondContact O-CD2 3.17Å; A351-L399 HydrophobicContact CB-CD1 3.85Å; A351-L435 HydrophobicContact CB-CD2 3.5Å
352G94.1Very high91.9Very high47 Ų4745.9 Ų45.949%0.48528%0.284SS..Hα-helixtrans-60.2-25179.500000114E348 V354E348-G352 PolarHBondContact O-N 3.32Å; G352-V354 VanDerWaalsContact C-N 3.33Å; G352-V354 PolarHBondContact O-N 2.89Å
353S94.3Very high92.1Very high71 Ų7141.5 Ų41.550%0.49725%0.253SS..THydrogen-bonded Turntrans-74.8-14.8179.971.90000115.3M349 L350 A351 R392M349-S353 PolarHBondContact O-N 2.9Å; L350-S353 PolarHBondContact O-N 3.4Å; L350-S353 PolarHBondContact O-OG 2.75Å; A351-S353 PolarHBondContact O-N 3.39Å; A351-S353 VanDerWaalsContact O-N 3.13Å; S353-R392 WeakPolarHBondContact OG-CD 3.29Å
354V89.5Confident92.1Very high28 Ų2839.5 Ų39.517%0.1724%0.239CC..THydrogen-bonded Turntrans-114.7-19.5-179.1-68.50000114.2A351 G352 T356 R392 F396A351-V354 WeakPolarHBondContact O-CG2 3.47Å; A351-V354 PolarHBondContact O-N 2.96Å; G352-V354 VanDerWaalsContact C-N 3.33Å; G352-V354 PolarHBondContact O-N 2.89Å; V354-T356 WeakPolarHBondContact CG2-O 3.37Å; V354-T356 PolarHBondContact O-N 3.43Å; V354-R392 HydrophobicContact CB-CB 4.38Å; V354-R392 HydrophobicContact CG1-CB 3.48Å; V354-R392 VanDerWaalsContact CG1-CB 3.48Å; V354-R392 HydrophobicContact CG1-CG 4.28Å; V354-R392 HydrophobicContact CG2-CB 3.96Å; V354-F396 HydrophobicContact CG2-CB 4.23Å; V354-F396 HydrophobicContact CG2-CD2 4.4Å
355G80.3Confident92.1Very high48 Ų4836.4 Ų36.450%0.49522%0.218SC..SBendtrans65.6-10.2175.100000116.4A351 F396A351-G355 PolarHBondContact O-N 3.4Å; G355-F396 WeakPolarHBondContact O-CE2 3.43Å; G355-F396 VanDerWaalsContact O-CZ 3.23Å; G355-F396 WeakPolarHBondContact O-CZ 3.44Å
356T88.4Confident91.6Very high33 Ų3334.8 Ų34.820%0.20221%0.206CC..SBendtrans-156.2158.3176.5-178.20000110.9V354 Y358V354-T356 WeakPolarHBondContact CG2-O 3.37Å; V354-T356 PolarHBondContact O-N 3.43Å; T356-Y358 VanDerWaalsContact C-N 3.26Å; T356-Y358 HydrophobicContact CG2-CD1 4Å; T356-Y358 HydrophobicContact CG2-CD2 3.39Å; T356-Y358 HydrophobicContact CG2-CE1 3.93Å; T356-Y358 HydrophobicContact CG2-CE2 3.32Å; T356-Y358 HydrophobicContact CG2-CG 3.75Å; T356-Y358 PolarHBondContact OG1-N 3.11Å
357S86.7Confident90.6Very high2 Ų235.9 Ų35.91%0.01422%0.218CC..  trans-77.2-8.7172.255.40000113.4G359 C360 F396 E400S357-G359 PolarHBondContact O-N 3.17Å; S357-C360 WeakPolarHBondContact CB-O 3.31Å; S357-C360 WeakPolarHBondContact O-CB 3.48Å; S357-C360 PolarHBondContact O-N 3.23Å; S357-C360 PolarHBondContact OG-O 3.36Å; S357-F396 VanDerWaalsContact N-CD1 3.33Å; S357-E400 WeakPolarHBondContact CB-OE2 3.49Å; S357-E400 PolarHBondContact OG-OE2 3.27Å
358Y87.3Confident90Very high134 Ų13436 Ų3653%0.52522%0.22SC..THydrogen-bonded Turntrans50.138.9-174.6-76.7-78.5000113.3T356 C360 F388 H393T356-Y358 VanDerWaalsContact C-N 3.26Å; T356-Y358 HydrophobicContact CG2-CD1 4Å; T356-Y358 HydrophobicContact CG2-CD2 3.39Å; T356-Y358 HydrophobicContact CG2-CE1 3.93Å; T356-Y358 HydrophobicContact CG2-CE2 3.32Å; T356-Y358 HydrophobicContact CG2-CG 3.75Å; T356-Y358 PolarHBondContact OG1-N 3.11Å; Y358-C360 VanDerWaalsContact C-N 3.34Å; Y358-F388 AromaticContact CD2-CE1 3.87Å; Y358-F388 HydrophobicContact CD2-CE1 3.87Å; Y358-F388 AromaticContact CE2-CE1 3.97Å; Y358-F388 HydrophobicContact CE2-CE1 3.97Å; Y358-F388 HydrophobicContact CG-CE1 4.22Å; Y358-H393 AromaticContact CD2-CD2 3.54Å; Y358-H393 AromaticContact CD2-NE2 3.31Å; Y358-H393 VanDerWaalsContact CD2-NE2 3.31Å; Y358-H393 WeakPolarHBondContact CD2-NE2 3.32Å; Y358-H393 AromaticContact CE2-NE2 3.77Å
359G88.8Confident89.3Confident36 Ų3634.1 Ų34.137%0.37121%0.211SC..THydrogen-bonded Turntrans83.66.2178.900000114.8S357 Y361S357-G359 PolarHBondContact O-N 3.17Å; G359-Y361 VanDerWaalsContact O-CD2 3.26Å; G359-Y361 WeakPolarHBondContact O-CD2 3.25Å
360C95.1Very high88.7Confident0 Ų031 Ų310%019%0.193CC..  trans-77.7125.7168.7-177.50000110.5S357 Y358 C383 T389 A397S357-C360 WeakPolarHBondContact CB-O 3.31Å; S357-C360 WeakPolarHBondContact O-CB 3.48Å; S357-C360 PolarHBondContact O-N 3.23Å; S357-C360 PolarHBondContact OG-O 3.36Å; Y358-C360 VanDerWaalsContact C-N 3.34Å; C360-C383 WeakPolarHBondContact CA-O 3.47Å; C360-T389 HydrophobicContact CB-CG2 4.36Å; C360-A397 HydrophobicContact CB-CB 4.42Å; C360-A397 WeakPolarHBondContact O-CB 3.35Å
361Y97Very high87.8Confident19 Ų1930.5 Ų30.58%0.07519%0.192CC..EExtended strand (participates in β ladder)trans-119.7135.7175.7-69.1-94.4000110G359 I382 C383 F404 R501 R504 W505 A508G359-Y361 VanDerWaalsContact O-CD2 3.26Å; G359-Y361 WeakPolarHBondContact O-CD2 3.25Å; Y361-I382 WeakPolarHBondContact O-CA 3.49Å; Y361-C383 PolarHBondContact N-O 2.87Å; Y361-C383 PolarHBondContact O-N 3.23Å; Y361-F404 HydrophobicContact CD1-CE2 4.14Å; Y361-F404 AromaticContact CE1-CE2 3.86Å; Y361-F404 HydrophobicContact CE1-CE2 3.86Å; Y361-F404 HydrophobicContact CE1-CZ 4.2Å; Y361-R501 WeakPolarHBondContact CE1-O 3.31Å; Y361-R501 PolarHBondContact OH-O 3.34Å; Y361-R504 HydrophobicContact CE1-CB 3.92Å; Y361-R504 HydrophobicContact CE2-CB 3.68Å; Y361-R504 HydrophobicContact CE2-CG 4.44Å; Y361-R504 WeakPolarHBondContact OH-CB 3.4Å; Y361-W505 HydrophobicContact CD1-CB 4.08Å; Y361-W505 HydrophobicContact CD1-CE3 4.22Å; Y361-W505 HydrophobicContact CE1-CB 4.04Å; Y361-A508 HydrophobicContact CG-CB 4.38Å
362F96.7Very high87.1Confident3 Ų332.2 Ų32.21%0.01320%0.203CC..EExtended strand (participates in β ladder)trans-119.8105.5178-176.6-177.4000109.7V330 W333 L334 P364 F366 I381 I382 A397 A398 A401 W505V330-F362 HydrophobicContact CG2-CD1 4.06Å; V330-F362 HydrophobicContact CG2-CE1 3.44Å; V330-F362 VanDerWaalsContact CG2-CE1 3.44Å; V330-F362 HydrophobicContact CG2-CZ 3.77Å; W333-F362 HydrophobicContact CE3-CE1 4.26Å; W333-F362 AromaticContact CE3-CZ 3.88Å; W333-F362 HydrophobicContact CE3-CZ 3.88Å; W333-F362 HydrophobicContact CH2-CZ 4.36Å; W333-F362 HydrophobicContact CZ3-CE1 4.02Å; W333-F362 AromaticContact CZ3-CZ 3.61Å; W333-F362 HydrophobicContact CZ3-CZ 3.61Å; L334-F362 HydrophobicContact CD2-CE1 4.24Å; L334-F362 HydrophobicContact CG-CE1 4.48Å; F362-P364 HydrophobicContact CE2-CB 4.23Å; F362-P364 VanDerWaalsContact O-CD 3.32Å; F362-P364 WeakPolarHBondContact O-CD 3.41Å; F362-F366 HydrophobicContact CE2-CE1 4.09Å; F362-F366 HydrophobicContact CE2-CZ 4.24Å; F362-F366 HydrophobicContact CZ-CE1 4.03Å; F362-F366 AromaticContact CZ-CZ 3.79Å; F362-F366 HydrophobicContact CZ-CZ 3.79Å; F362-I381 CarbonylContact C-O 3.6Å; F362-I381 WeakPolarHBondContact CA-O 3.2Å; F362-I381 WeakPolarHBondContact CD2-O 3.49Å; F362-I382 HydrophobicContact CB-CG1 4.29Å; F362-I382 HydrophobicContact CD1-CG1 4.41Å; F362-I382 HydrophobicContact CD2-CD1 4.37Å; F362-I382 HydrophobicContact CD2-CG1 3.59Å; F362-I382 HydrophobicContact CE2-CD1 4.36Å; F362-I382 HydrophobicContact CE2-CG1 3.94Å; F362-I382 HydrophobicContact CG-CD1 4.48Å; F362-I382 HydrophobicContact CG-CG1 3.86Å; F362-I382 HydrophobicContact CZ-CD1 4.43Å; F362-I382 HydrophobicContact CZ-CG1 4.47Å; F362-A397 HydrophobicContact CB-CB 4.2Å; F362-A398 HydrophobicContact CD1-CB 3.95Å; F362-A398 HydrophobicContact CE1-CB 4.41Å; F362-A401 WeakPolarHBondContact O-CB 3.33Å; F362-W505 VanDerWaalsContact O-CZ3 3.3Å; F362-W505 WeakPolarHBondContact O-CZ3 3.3Å
363V96.1Very high86.6Confident0 Ų033.5 Ų33.50%019%0.194CC..EExtended strand (participates in β ladder)trans-88.3111.8172.2-173.80000108.4A365 L369 G380 I381 W505 A508 V509V363-A365 VanDerWaalsContact C-N 3.28Å; V363-A365 HydrophobicContact CG1-CB 4.26Å; V363-A365 PolarHBondContact O-N 2.88Å; V363-A365 VanDerWaalsContact O-N 3.14Å; V363-L369 HydrophobicContact CG1-CD2 4.32Å; V363-G380 CarbonylContact O-C 3.59Å; V363-G380 WeakPolarHBondContact O-CA 3.08Å; V363-I381 HydrophobicContact CB-CG1 3.81Å; V363-I381 HydrophobicContact CG2-CD1 4.26Å; V363-I381 HydrophobicContact CG2-CG1 3.86Å; V363-I381 PolarHBondContact N-O 2.65Å; V363-I381 PolarHBondContact O-N 3.43Å; V363-W505 HydrophobicContact CB-CH2 4.19Å; V363-W505 HydrophobicContact CB-CZ3 4.36Å; V363-W505 HydrophobicContact CG1-CH2 4.14Å; V363-W505 HydrophobicContact CG2-CE3 4.41Å; V363-W505 HydrophobicContact CG2-CH2 4.01Å; V363-W505 HydrophobicContact CG2-CZ3 3.85Å; V363-A508 HydrophobicContact CG2-CB 3.76Å; V363-V509 HydrophobicContact CG1-CG2 4.34Å; V363-V509 HydrophobicContact CG2-CG2 4.17Å
364P91.1Very high85.8Confident0 Ų032.3 Ų32.30%018%0.178CC..  trans-93.149.8-170.939.4-36.1000111.7I326 V330 F362 F366 A401I326-P364 HydrophobicContact CB-CB 4.38Å; I326-P364 HydrophobicContact CB-CG 4.4Å; I326-P364 VanDerWaalsContact CB-O 3.27Å; I326-P364 WeakPolarHBondContact CB-O 3.45Å; I326-P364 VanDerWaalsContact CG1-O 3.27Å; I326-P364 WeakPolarHBondContact CG1-O 3.45Å; I326-P364 HydrophobicContact CG2-CB 3.74Å; I326-P364 HydrophobicContact CG2-CG 4.14Å; I326-P364 WeakPolarHBondContact CG2-O 3.49Å; V330-P364 HydrophobicContact CB-CB 4.21Å; V330-P364 HydrophobicContact CG2-CB 3.7Å; F362-P364 HydrophobicContact CE2-CB 4.23Å; F362-P364 VanDerWaalsContact O-CD 3.32Å; F362-P364 WeakPolarHBondContact O-CD 3.41Å; P364-F366 HydrophobicContact CB-CE2 4.38Å; P364-F366 HydrophobicContact CB-CZ 4.16Å; P364-F366 PolarHBondContact O-N 3.01Å; P364-A401 HydrophobicContact CG-CB 4.43Å
365A87.9Confident85.5Confident1 Ų133.2 Ų33.21%0.00818%0.181CC..  trans-7955.2-177.700000112.9V363 S367 G368 L369 A378 R379 G380V363-A365 VanDerWaalsContact C-N 3.28Å; V363-A365 HydrophobicContact CG1-CB 4.26Å; V363-A365 PolarHBondContact O-N 2.88Å; V363-A365 VanDerWaalsContact O-N 3.14Å; A365-S367 PolarHBondContact O-N 3.17Å; A365-G368 PolarHBondContact O-N 3.43Å; A365-L369 HydrophobicContact CB-CD2 3.77Å; A365-L369 HydrophobicContact CB-CG 3.85Å; A365-A378 HydrophobicContact CB-CB 4Å; A365-R379 CarbonylContact O-C 3.57Å; A365-R379 VanDerWaalsContact O-CA 3.27Å; A365-R379 WeakPolarHBondContact O-CA 3.47Å; A365-G380 PolarHBondContact O-N 2.8Å
366F82Confident85.5Confident65 Ų6535.5 Ų35.529%0.28519%0.187SC..THydrogen-bonded Turntrans-64.1-26.8-174.2-54.9-37.4000114I326 V330 W333 F362 P364I326-F366 HydrophobicContact CD1-CB 4.42Å; I326-F366 HydrophobicContact CD1-CD2 4.11Å; I326-F366 HydrophobicContact CG1-CB 4.47Å; I326-F366 HydrophobicContact CG1-CD2 4.17Å; I326-F366 HydrophobicContact CG2-CD2 3.68Å; I326-F366 HydrophobicContact CG2-CE2 3.7Å; V330-F366 HydrophobicContact CG2-CE2 4.38Å; V330-F366 HydrophobicContact CG2-CZ 4.17Å; W333-F366 HydrophobicContact CB-CE2 3.8Å; W333-F366 HydrophobicContact CB-CZ 4.05Å; W333-F366 HydrophobicContact CD2-CE1 4.18Å; W333-F366 HydrophobicContact CD2-CE2 4.28Å; W333-F366 AromaticContact CD2-CZ 3.65Å; W333-F366 HydrophobicContact CD2-CZ 3.65Å; W333-F366 AromaticContact CE3-CZ 3.92Å; W333-F366 HydrophobicContact CE3-CZ 3.92Å; W333-F366 HydrophobicContact CG-CE1 4.43Å; W333-F366 AromaticContact CG-CE2 3.82Å; W333-F366 HydrophobicContact CG-CE2 3.82Å; W333-F366 AromaticContact CG-CZ 3.69Å; W333-F366 HydrophobicContact CG-CZ 3.69Å; F362-F366 HydrophobicContact CE2-CE1 4.09Å; F362-F366 HydrophobicContact CE2-CZ 4.24Å; F362-F366 HydrophobicContact CZ-CE1 4.03Å; F362-F366 AromaticContact CZ-CZ 3.79Å; F362-F366 HydrophobicContact CZ-CZ 3.79Å; P364-F366 HydrophobicContact CB-CE2 4.38Å; P364-F366 HydrophobicContact CB-CZ 4.16Å; P364-F366 PolarHBondContact O-N 3.01Å
367S73.4Confident85.2Confident63 Ų6334.5 Ų34.544%0.44118%0.181SC..THydrogen-bonded Turntrans-12527.1178.8530000112.1A365A365-S367 PolarHBondContact O-N 3.17Å
368G81.1Confident85.2Confident5 Ų534.4 Ų34.45%0.05218%0.18CC..  trans87.3-178.8-169.600000113A365 E375 A378A365-G368 PolarHBondContact O-N 3.43Å; G368-E375 WeakPolarHBondContact CA-O 3.31Å; G368-A378 WeakPolarHBondContact CA-O 3.48Å
369L81.3Confident85.3Confident12 Ų1231.2 Ų31.26%0.06317%0.168CC..BIsolated β-bridgetrans-105.7134.4175.9-68.2167.9000110.3V363 A365 Y373 W374 E375 A378 V509 M513V363-L369 HydrophobicContact CG1-CD2 4.32Å; A365-L369 HydrophobicContact CB-CD2 3.77Å; A365-L369 HydrophobicContact CB-CG 3.85Å; L369-Y373 HydrophobicContact CB-CD2 4.28Å; L369-Y373 HydrophobicContact CD1-CD2 4.03Å; L369-Y373 HydrophobicContact CD1-CG 4.42Å; L369-W374 CarbonylContact O-C 3.57Å; L369-W374 VanDerWaalsContact O-CA 3.27Å; L369-W374 WeakPolarHBondContact O-CA 3.45Å; L369-W374 PolarHBondContact O-N 3.06Å; L369-E375 HydrophobicContact CB-CB 4.42Å; L369-E375 PolarHBondContact N-O 3.37Å; L369-E375 PolarHBondContact O-N 3.49Å; L369-A378 HydrophobicContact CB-CB 4.36Å; L369-A378 HydrophobicContact CD1-CB 3.81Å; L369-A378 HydrophobicContact CG-CB 3.76Å; L369-V509 HydrophobicContact CD1-CG1 3.53Å; L369-M513 HydrophobicContact CD1-CE 4.15Å; L369-M513 HydrophobicContact CD1-CG 4.34Å
370Y80.6Confident85.4Confident64 Ų6431.2 Ų31.225%0.25117%0.167SC..  trans-88.7-148.2175.1-73-101.8000109.8S323 A325 Y373 W374S323-Y370 WeakPolarHBondContact O-CB 3.25Å; A325-Y370 HydrophobicContact CB-CD2 3.25Å; A325-Y370 HydrophobicContact CB-CE2 3.08Å; A325-Y370 HydrophobicContact CB-CG 4.17Å; Y370-Y373 PolarHBondContact O-N 2.95Å; Y370-W374 HydrophobicContact CD1-CH2 4.3Å; Y370-W374 AromaticContact CD1-CZ3 3.92Å; Y370-W374 HydrophobicContact CD1-CZ3 3.92Å; Y370-W374 PolarHBondContact O-N 3.15Å
371A78.1Confident85.4Confident10 Ų1032.4 Ų32.48%0.08317%0.173CC..THydrogen-bonded Turntrans-53.1144.5175.100000111L302 I409L302-A371 HydrophobicContact CD2-CB 4.26Å; A371-I409 VanDerWaalsContact C-CD1 3.43Å; A371-I409 HydrophobicContact CB-CD1 3.54Å; A371-I409 WeakPolarHBondContact O-CD1 3.33Å
372P80.4Confident85.3Confident36 Ų3634.4 Ų34.423%0.23418%0.184CC..THydrogen-bonded Turncis-81-7.5-4.433.5-34.9000114.2N300 E408 A412N300-P372 WeakPolarHBondContact O-CB 3.38Å; P372-E408 HydrophobicContact CG-CB 4.29Å; P372-A412 HydrophobicContact CB-CB 4.42Å
373Y82.2Confident85.3Confident73 Ų7335.8 Ų35.829%0.28619%0.194SC..THydrogen-bonded Turntrans-82.2-40.1-166.7-57.3-64.4000115.1L369 Y370 E375 E408 V509 M513L369-Y373 HydrophobicContact CB-CD2 4.28Å; L369-Y373 HydrophobicContact CD1-CD2 4.03Å; L369-Y373 HydrophobicContact CD1-CG 4.42Å; Y370-Y373 PolarHBondContact O-N 2.95Å; Y373-E375 VanDerWaalsContact C-N 3.32Å; Y373-E375 PolarHBondContact O-N 3Å; Y373-E408 WeakPolarHBondContact CE2-OE1 3.43Å; Y373-E408 WeakPolarHBondContact CE2-OE2 3.44Å; Y373-E408 VanDerWaalsContact OH-CD 3.29Å; Y373-E408 PolarHBondContact OH-OE1 2.71Å; Y373-V509 HydrophobicContact CD2-CG1 4.18Å; Y373-V509 HydrophobicContact CE1-CG1 4.48Å; Y373-V509 HydrophobicContact CE2-CG1 3.72Å; Y373-M513 HydrophobicContact CD1-CE 3.29Å; Y373-M513 HydrophobicContact CD2-CE 4.26Å; Y373-M513 HydrophobicContact CE1-CE 3.75Å; Y373-M513 HydrophobicContact CG-CE 3.56Å
374W78.2Confident85.2Confident47 Ų4737.8 Ų37.818%0.17822%0.215CC..  trans48.850.6-173.4-6696.9000113.1P146 G301 L303 L369 Y370 P376P146-W374 HydrophobicContact CG-CZ2 4.49Å; G301-W374 PolarHBondContact O-NE1 2.77Å; L303-W374 HydrophobicContact CD2-CZ2 4.31Å; L369-W374 CarbonylContact O-C 3.57Å; L369-W374 VanDerWaalsContact O-CA 3.27Å; L369-W374 WeakPolarHBondContact O-CA 3.45Å; L369-W374 PolarHBondContact O-N 3.06Å; Y370-W374 HydrophobicContact CD1-CH2 4.3Å; Y370-W374 AromaticContact CD1-CZ3 3.92Å; Y370-W374 HydrophobicContact CD1-CZ3 3.92Å; Y370-W374 PolarHBondContact O-N 3.15Å; W374-P376 VanDerWaalsContact O-CD 3.27Å; W374-P376 WeakPolarHBondContact O-CD 3.42Å
375E83.5Confident85.5Confident46 Ų4642.7 Ų42.722%0.21524%0.241CC..BIsolated β-bridgetrans-109.792.7-174.9-175.748.4-99.800110.8G368 L369 Y373 S377 A378 M513G368-E375 WeakPolarHBondContact CA-O 3.31Å; L369-E375 HydrophobicContact CB-CB 4.42Å; L369-E375 PolarHBondContact N-O 3.37Å; L369-E375 PolarHBondContact O-N 3.49Å; Y373-E375 VanDerWaalsContact C-N 3.32Å; Y373-E375 PolarHBondContact O-N 3Å; E375-S377 PolarHBondContact O-N 3.37Å; E375-S377 VanDerWaalsContact OE1-CB 3.23Å; E375-S377 WeakPolarHBondContact OE1-CB 3.35Å; E375-S377 PolarHBondContact OE1-N 2.89Å; E375-S377 PolarHBondContact OE1-OG 2.94Å; E375-A378 HydrophobicContact CB-CB 4.41Å; E375-A378 HydrophobicContact CG-CB 4.08Å; E375-A378 WeakPolarHBondContact O-CB 3.39Å; E375-A378 PolarHBondContact O-N 3.42Å; E375-M513 HydrophobicContact CG-CB 4.06Å; E375-M513 HydrophobicContact CG-CG 3.94Å
376P78.9Confident85.8Confident96 Ų9646.6 Ų46.662%0.62326%0.264SS*.THydrogen-bonded Turntrans-69-21.4-178.628.8-35.5000113.2W374 A378 R379W374-P376 VanDerWaalsContact O-CD 3.27Å; W374-P376 WeakPolarHBondContact O-CD 3.42Å; P376-A378 PolarHBondContact O-N 3.47Å; P376-R379 PolarHBondContact O-NH1 3.33Å
377S82.1Confident86.5Confident12 Ų1253.7 Ų53.78%0.08430%0.298CS..THydrogen-bonded Turntrans-74.6-12.5177.270.20000113.4E375 N514 W515 E516E375-S377 PolarHBondContact O-N 3.37Å; E375-S377 VanDerWaalsContact OE1-CB 3.23Å; E375-S377 WeakPolarHBondContact OE1-CB 3.35Å; E375-S377 PolarHBondContact OE1-N 2.89Å; E375-S377 PolarHBondContact OE1-OG 2.94Å; S377-N514 VanDerWaalsContact OG-CA 3.22Å; S377-N514 WeakPolarHBondContact OG-CA 3.42Å; S377-N514 PolarHBondContact OG-N 2.98Å; S377-W515 PolarHBondContact O-N 3.21Å; S377-E516 VanDerWaalsContact CB-O 3.24Å; S377-E516 WeakPolarHBondContact CB-O 3.41Å; S377-E516 PolarHBondContact O-N 2.9Å
378A87.3Confident87.4Confident0 Ų056.6 Ų56.60%030%0.303CS..  trans-66.8144-176.700000111.8A365 G368 L369 E375 P376 S512A365-A378 HydrophobicContact CB-CB 4Å; G368-A378 WeakPolarHBondContact CA-O 3.48Å; L369-A378 HydrophobicContact CB-CB 4.36Å; L369-A378 HydrophobicContact CD1-CB 3.81Å; L369-A378 HydrophobicContact CG-CB 3.76Å; E375-A378 HydrophobicContact CB-CB 4.41Å; E375-A378 HydrophobicContact CG-CB 4.08Å; E375-A378 WeakPolarHBondContact O-CB 3.39Å; E375-A378 PolarHBondContact O-N 3.42Å; P376-A378 PolarHBondContact O-N 3.47Å; A378-S512 CarbonylContact C-O 3.6Å; A378-S512 WeakPolarHBondContact CA-O 3.24Å
379R88.6Confident88.1Confident68 Ų6857.6 Ų57.626%0.25731%0.309SS..  trans-129.3157.6175.2-69.8-62.5178.4-95.5-0.4112.6A365 P376 I381 S512 W515 E516A365-R379 CarbonylContact O-C 3.57Å; A365-R379 VanDerWaalsContact O-CA 3.27Å; A365-R379 WeakPolarHBondContact O-CA 3.47Å; P376-R379 PolarHBondContact O-NH1 3.33Å; R379-I381 PolarHBondContact O-N 3.33Å; R379-S512 PolarHBondContact N-O 3.25Å; R379-S512 VanDerWaalsContact N-O 3.07Å; R379-S512 WeakPolarHBondContact O-CB 3.38Å; R379-W515 HydrophobicContact CB-CB 4.07Å; R379-W515 HydrophobicContact CB-CG 3.85Å; R379-W515 HydrophobicContact CG-CB 4.11Å; R379-W515 VanDerWaalsContact CG-CD1 3.41Å; R379-W515 HydrophobicContact CG-CG 3.95Å; R379-E516 IonicContact CZ-OE2 3.74Å; R379-E516 VanDerWaalsContact CZ-OE2 3.3Å; R379-E516 IonicContact NE-OE2 3.08Å; R379-E516 PolarHBondContact NE-OE2 3.31Å; R379-E516 VanDerWaalsContact NE-OE2 3.08Å; R379-E516 IonicContact NH2-OE2 2.83Å; R379-E516 PolarHBondContact NH2-OE2 3.09Å
380G91.1Very high88.8Confident35 Ų3559.6 Ų59.636%0.36132%0.319SS..  trans-59.3128.1178.200000111.8V363 A365V363-G380 CarbonylContact O-C 3.59Å; V363-G380 WeakPolarHBondContact O-CA 3.08Å; A365-G380 PolarHBondContact O-N 2.8Å
381I94.9Very high89.5Confident26 Ų2660.4 Ų60.413%0.13332%0.324CS..EExtended strand (participates in β ladder)trans-131.5146.2176.167.9162.4000111.6F362 V363 R379 A508 R511F362-I381 CarbonylContact C-O 3.6Å; F362-I381 WeakPolarHBondContact CA-O 3.2Å; F362-I381 WeakPolarHBondContact CD2-O 3.49Å; V363-I381 HydrophobicContact CB-CG1 3.81Å; V363-I381 HydrophobicContact CG2-CD1 4.26Å; V363-I381 HydrophobicContact CG2-CG1 3.86Å; V363-I381 PolarHBondContact N-O 2.65Å; V363-I381 PolarHBondContact O-N 3.43Å; R379-I381 PolarHBondContact O-N 3.33Å; I381-A508 WeakPolarHBondContact CD1-O 3.31Å; I381-R511 HydrophobicContact CD1-CB 3.66Å
382I96.3Very high90.3Very high60 Ų6064.9 Ų64.931%0.30834%0.339SS..EExtended strand (participates in β ladder)trans-119.3123.9167.7-60.4169000106.9Y361 F362 L385 L394Y361-I382 WeakPolarHBondContact O-CA 3.49Å; F362-I382 HydrophobicContact CB-CG1 4.29Å; F362-I382 HydrophobicContact CD1-CG1 4.41Å; F362-I382 HydrophobicContact CD2-CD1 4.37Å; F362-I382 HydrophobicContact CD2-CG1 3.59Å; F362-I382 HydrophobicContact CE2-CD1 4.36Å; F362-I382 HydrophobicContact CE2-CG1 3.94Å; F362-I382 HydrophobicContact CG-CD1 4.48Å; F362-I382 HydrophobicContact CG-CG1 3.86Å; F362-I382 HydrophobicContact CZ-CD1 4.43Å; F362-I382 HydrophobicContact CZ-CG1 4.47Å; I382-L385 HydrophobicContact CG2-CD1 4.36Å; I382-L385 HydrophobicContact CG2-CD2 3.77Å; I382-L385 HydrophobicContact CG2-CG 4.24Å; I382-L394 HydrophobicContact CD1-CD2 4.23Å; I382-L394 HydrophobicContact CG2-CD2 3.61Å
383C95.8Very high91.1Very high33 Ų3363.2 Ų63.222%0.22333%0.328CS..EExtended strand (participates in β ladder)trans-136.3165-177.468.80000112.3C360 Y361C360-C383 WeakPolarHBondContact CA-O 3.47Å; Y361-C383 PolarHBondContact N-O 2.87Å; Y361-C383 PolarHBondContact O-N 3.23Å
384G94.9Very high91.8Very high41 Ų4161 Ų6142%0.42332%0.321SS..  trans80.121.5-176.300000114.4
385L96.3Very high92.6Very high104 Ų10458.8 Ų58.855%0.54531%0.312SS..  trans-69.9137.3177.3-57-178.3000111.5I382 T389 L394I382-L385 HydrophobicContact CG2-CD1 4.36Å; I382-L385 HydrophobicContact CG2-CD2 3.77Å; I382-L385 HydrophobicContact CG2-CG 4.24Å; L385-T389 HydrophobicContact CD2-CG2 3.56Å; L385-L394 HydrophobicContact CD2-CD2 4.21Å
386T95.4Very high93.2Very high83 Ų8356.7 Ų56.751%0.50930%0.302SS..  trans-126.4172.8171.270.70000109.8F388 T389T386-F388 PolarHBondContact O-N 3.22Å; T386-F388 VanDerWaalsContact O-N 3.09Å; T386-F388 PolarHBondContact OG1-N 3.1Å; T386-T389 PolarHBondContact N-OG1 2.8Å; T386-T389 WeakPolarHBondContact O-CB 3.29Å; T386-T389 PolarHBondContact O-N 2.88Å; T386-T389 PolarHBondContact O-OG1 3.11Å; T386-T389 PolarHBondContact OG1-OG1 3.37Å
387Q95.6Very high94.1Very high213 Ų21352.1 Ų52.1100%0.99527%0.273SS*.THydrogen-bonded Turntrans-60.1-18.8174.7-66.9178.3-4.600113.4
388F93.1Very high94.7Very high124 Ų12451.6 Ų51.654%0.54427%0.269SS..THydrogen-bonded Turntrans-82.9-21.6176-176.9-104.6000113.1Y358 T386 H393Y358-F388 AromaticContact CD2-CE1 3.87Å; Y358-F388 HydrophobicContact CD2-CE1 3.87Å; Y358-F388 AromaticContact CE2-CE1 3.97Å; Y358-F388 HydrophobicContact CE2-CE1 3.97Å; Y358-F388 HydrophobicContact CG-CE1 4.22Å; T386-F388 PolarHBondContact O-N 3.22Å; T386-F388 VanDerWaalsContact O-N 3.09Å; T386-F388 PolarHBondContact OG1-N 3.1Å; F388-H393 AromaticContact CD1-CE1 3.61Å; F388-H393 AromaticContact CE1-CE1 3.31Å; F388-H393 WeakPolarHBondContact CE1-CE1 3.4Å; F388-H393 AromaticContact CE1-NE2 3.45Å; F388-H393 WeakPolarHBondContact CE1-NE2 3.47Å; F388-H393 PolarHBondContact O-CE1 3.24Å
389T96.3Very high95.1Very high27 Ų2751.7 Ų51.717%0.16627%0.27CS..  trans-66137-175.1-51.20000110.7C360 L385 T386 H393C360-T389 HydrophobicContact CB-CG2 4.36Å; L385-T389 HydrophobicContact CD2-CG2 3.56Å; T386-T389 PolarHBondContact N-OG1 2.8Å; T386-T389 WeakPolarHBondContact O-CB 3.29Å; T386-T389 PolarHBondContact O-N 2.88Å; T386-T389 PolarHBondContact O-OG1 3.11Å; T386-T389 PolarHBondContact OG1-OG1 3.37Å; T389-H393 HydrophobicContact CG2-CB 3.95Å
390N94.8Very high95.5Very high53 Ų5348.5 Ų48.528%0.28326%0.258SS..  trans-148.9179.4-176.669.566000109.4R392 H393 L394N390-R392 PolarHBondContact O-N 3.24Å; N390-R392 VanDerWaalsContact O-N 3.09Å; N390-R392 VanDerWaalsContact OD1-CB 3.27Å; N390-R392 WeakPolarHBondContact OD1-CB 3.21Å; N390-R392 WeakPolarHBondContact OD1-CG 3.35Å; N390-R392 PolarHBondContact OD1-N 3.32Å; N390-H393 PolarHBondContact N-ND1 3.14Å; N390-H393 VanDerWaalsContact N-ND1 3.19Å; N390-H393 PolarHBondContact ND2-CE1 3Å; N390-H393 PolarHBondContact ND2-ND1 3.46Å; N390-H393 WeakPolarHBondContact O-CB 3.46Å; N390-H393 PolarHBondContact O-N 3.46Å; N390-L394 PolarHBondContact O-N 2.83Å
391K95.4Very high95.7Very high81 Ų8146.9 Ų46.935%0.35224%0.241SC..Hα-helixtrans-53.5-34.5-175.562.6169.8-168.8163.80115.3I340 E346 L350 H393 L394 S395I340-K391 HydrophobicContact CG2-CB 3.5Å; I340-K391 VanDerWaalsContact CG2-CB 3.5Å; I340-K391 HydrophobicContact CG2-CD 4.07Å; I340-K391 HydrophobicContact CG2-CG 4.41Å; I340-K391 PolarHBondContact O-NZ 3.15Å; E346-K391 IonicContact OE1-NZ 2.65Å; E346-K391 PolarHBondContact OE1-NZ 3.43Å; L350-K391 HydrophobicContact CD1-CD 4.12Å; K391-H393 PolarHBondContact O-N 2.84Å; K391-L394 PolarHBondContact O-N 2.86Å; K391-S395 PolarHBondContact O-N 2.94Å; K391-S395 PolarHBondContact O-OG 2.81Å
392R96.4Very high95.8Very high105 Ų10545.6 Ų45.640%0.39623%0.234SC..Hα-helixtrans-63.8-41.6179.6-62.3165.3178.495.8-0.5111.9L350 S353 V354 N390 S395 F396L350-R392 HydrophobicContact CB-CG 4.28Å; L350-R392 HydrophobicContact CD2-CG 3.92Å; L350-R392 WeakPolarHBondContact O-CB 3.31Å; S353-R392 WeakPolarHBondContact OG-CD 3.29Å; V354-R392 HydrophobicContact CB-CB 4.38Å; V354-R392 HydrophobicContact CG1-CB 3.48Å; V354-R392 VanDerWaalsContact CG1-CB 3.48Å; V354-R392 HydrophobicContact CG1-CG 4.28Å; V354-R392 HydrophobicContact CG2-CB 3.96Å; N390-R392 PolarHBondContact O-N 3.24Å; N390-R392 VanDerWaalsContact O-N 3.09Å; N390-R392 VanDerWaalsContact OD1-CB 3.27Å; N390-R392 WeakPolarHBondContact OD1-CB 3.21Å; N390-R392 WeakPolarHBondContact OD1-CG 3.35Å; N390-R392 PolarHBondContact OD1-N 3.32Å; R392-S395 PolarHBondContact O-N 3.49Å; R392-F396 PolarHBondContact O-N 3.19Å
393H96.5Very high95.8Very high1 Ų142.8 Ų42.81%0.00522%0.22CC..Hα-helixtrans-67-37.7176.8-56.2122.1000111.8Y358 F388 T389 N390 K391 F396 A397Y358-H393 AromaticContact CD2-CD2 3.54Å; Y358-H393 AromaticContact CD2-NE2 3.31Å; Y358-H393 VanDerWaalsContact CD2-NE2 3.31Å; Y358-H393 WeakPolarHBondContact CD2-NE2 3.32Å; Y358-H393 AromaticContact CE2-NE2 3.77Å; F388-H393 AromaticContact CD1-CE1 3.61Å; F388-H393 AromaticContact CE1-CE1 3.31Å; F388-H393 WeakPolarHBondContact CE1-CE1 3.4Å; F388-H393 AromaticContact CE1-NE2 3.45Å; F388-H393 WeakPolarHBondContact CE1-NE2 3.47Å; F388-H393 PolarHBondContact O-CE1 3.24Å; T389-H393 HydrophobicContact CG2-CB 3.95Å; N390-H393 PolarHBondContact N-ND1 3.14Å; N390-H393 VanDerWaalsContact N-ND1 3.19Å; N390-H393 PolarHBondContact ND2-CE1 3Å; N390-H393 PolarHBondContact ND2-ND1 3.46Å; N390-H393 WeakPolarHBondContact O-CB 3.46Å; N390-H393 PolarHBondContact O-N 3.46Å; K391-H393 PolarHBondContact O-N 2.84Å; H393-F396 PolarHBondContact O-N 3.03Å; H393-A397 WeakPolarHBondContact O-CB 3.37Å; H393-A397 PolarHBondContact O-N 2.97Å
394L95.6Very high95.8Very high26 Ų2641.2 Ų41.214%0.13621%0.209CC..Hα-helixtrans-65.9-42.9173.9-67.1175.5000111.7I340 I382 L385 N390 K391 F396 A397 A398I340-L394 HydrophobicContact CD1-CD1 3.78Å; I382-L394 HydrophobicContact CD1-CD2 4.23Å; I382-L394 HydrophobicContact CG2-CD2 3.61Å; L385-L394 HydrophobicContact CD2-CD2 4.21Å; N390-L394 PolarHBondContact O-N 2.83Å; K391-L394 PolarHBondContact O-N 2.86Å; L394-F396 VanDerWaalsContact C-N 3.31Å; L394-F396 PolarHBondContact O-N 2.82Å; L394-A397 PolarHBondContact O-N 3.08Å; L394-A398 WeakPolarHBondContact O-CB 3.32Å; L394-A398 PolarHBondContact O-N 3.42Å
395S95.8Very high95.8Very high0 Ų039.9 Ų39.90%019%0.192CC..Hα-helixtrans-58.9-43.2174.3-60.20000111.7L347 K391 R392 A398 L399L347-S395 VanDerWaalsContact CD1-CB 3.49Å; K391-S395 PolarHBondContact O-N 2.94Å; K391-S395 PolarHBondContact O-OG 2.81Å; R392-S395 PolarHBondContact O-N 3.49Å; S395-A398 PolarHBondContact O-N 3.47Å; S395-L399 PolarHBondContact O-N 2.7Å
396F96.8Very high95.7Very high2 Ų235 Ų351%0.00917%0.166CC..Hα-helixtrans-64.3-49175.4-164-77000111.7A351 V354 G355 S357 R392 H393 L394 A398 L399 E400 L435 L439A351-F396 HydrophobicContact CB-CB 4.07Å; A351-F396 HydrophobicContact CB-CD2 4.13Å; A351-F396 WeakPolarHBondContact O-CD2 3.17Å; V354-F396 HydrophobicContact CG2-CB 4.23Å; V354-F396 HydrophobicContact CG2-CD2 4.4Å; G355-F396 WeakPolarHBondContact O-CE2 3.43Å; G355-F396 VanDerWaalsContact O-CZ 3.23Å; G355-F396 WeakPolarHBondContact O-CZ 3.44Å; S357-F396 VanDerWaalsContact N-CD1 3.33Å; R392-F396 PolarHBondContact O-N 3.19Å; H393-F396 PolarHBondContact O-N 3.03Å; L394-F396 VanDerWaalsContact C-N 3.31Å; L394-F396 PolarHBondContact O-N 2.82Å; F396-A398 PolarHBondContact O-N 3.3Å; F396-L399 PolarHBondContact O-N 2.92Å; F396-L399 VanDerWaalsContact O-N 3.13Å; F396-E400 HydrophobicContact CD1-CB 4.45Å; F396-E400 HydrophobicContact CE1-CG 4.38Å; F396-E400 WeakPolarHBondContact O-CB 3.37Å; F396-E400 PolarHBondContact O-N 3.17Å; F396-L435 HydrophobicContact CD2-CD2 4.47Å; F396-L435 HydrophobicContact CE2-CD1 4.46Å; F396-L439 HydrophobicContact CE1-CD1 4.31Å; F396-L439 HydrophobicContact CE1-CD2 3.99Å; F396-L439 HydrophobicContact CE2-CD1 4.36Å; F396-L439 HydrophobicContact CE2-CD2 4.27Å; F396-L439 HydrophobicContact CZ-CD1 4.1Å; F396-L439 HydrophobicContact CZ-CD2 3.5Å; F396-L439 VanDerWaalsContact CZ-CD2 3.5Å; F396-L439 HydrophobicContact CZ-CG 4.4Å
397A96.9Very high95.7Very high1 Ų131.6 Ų31.61%0.00814%0.144CC..Hα-helixtrans-59.7-32.6179.200000112.5C360 F362 H393 L394 E400 A401C360-A397 HydrophobicContact CB-CB 4.42Å; C360-A397 WeakPolarHBondContact O-CB 3.35Å; F362-A397 HydrophobicContact CB-CB 4.2Å; H393-A397 WeakPolarHBondContact O-CB 3.37Å; H393-A397 PolarHBondContact O-N 2.97Å; L394-A397 PolarHBondContact O-N 3.08Å; A397-E400 PolarHBondContact O-N 2.86Å; A397-A401 VanDerWaalsContact O-CB 3.29Å; A397-A401 WeakPolarHBondContact O-CB 3.48Å; A397-A401 PolarHBondContact O-N 3.18Å
398A95.8Very high95.6Very high0 Ų021.8 Ų21.80%010%0.098CC..Hα-helixtrans-66.4-43.6175.200000112.5V330 L334 F362 L394 S395 F396 A401 V402V330-A398 HydrophobicContact CG1-CB 4.19Å; V330-A398 HydrophobicContact CG2-CB 4.31Å; L334-A398 HydrophobicContact CD1-CB 3.62Å; F362-A398 HydrophobicContact CD1-CB 3.95Å; F362-A398 HydrophobicContact CE1-CB 4.41Å; L394-A398 WeakPolarHBondContact O-CB 3.32Å; L394-A398 PolarHBondContact O-N 3.42Å; S395-A398 PolarHBondContact O-N 3.47Å; F396-A398 PolarHBondContact O-N 3.3Å; A398-A401 PolarHBondContact O-N 2.88Å; A398-V402 PolarHBondContact O-N 3.42Å
399L96.1Very high95.5Very high2 Ų215.9 Ų15.91%0.017%0.072CC..Hα-helixtrans-66.2-42173.8-65.1178.1000111.4L347 A351 S395 F396 A401 V402 C403 L435 L436 L439L347-L399 HydrophobicContact CD2-CD2 3.59Å; L347-L399 HydrophobicContact CD2-CG 4Å; A351-L399 HydrophobicContact CB-CD1 3.85Å; S395-L399 PolarHBondContact O-N 2.7Å; F396-L399 PolarHBondContact O-N 2.92Å; F396-L399 VanDerWaalsContact O-N 3.13Å; L399-A401 VanDerWaalsContact C-N 3.3Å; L399-A401 PolarHBondContact O-N 3.34Å; L399-V402 PolarHBondContact O-N 2.98Å; L399-C403 PolarHBondContact O-N 3.2Å; L399-C403 PolarHBondContact O-SG 3.39Å; L399-C403 VanDerWaalsContact O-SG 3.34Å; L399-L435 HydrophobicContact CD1-CD2 3.95Å; L399-L435 HydrophobicContact CD1-CG 4.3Å; L399-L436 HydrophobicContact CB-CD1 4.19Å; L399-L436 HydrophobicContact CD2-CB 4.35Å; L399-L436 HydrophobicContact CD2-CD1 4.1Å; L399-L439 HydrophobicContact CB-CD1 4.04Å
400E95.8Very high95.3Very high2 Ų214.8 Ų14.81%0.0097%0.065CC..Hα-helixtrans-61-39.9178.1-145.7179.3-160.400111.3S357 F396 A397 V402 C403 F404 I443 R501S357-E400 WeakPolarHBondContact CB-OE2 3.49Å; S357-E400 PolarHBondContact OG-OE2 3.27Å; F396-E400 HydrophobicContact CD1-CB 4.45Å; F396-E400 HydrophobicContact CE1-CG 4.38Å; F396-E400 WeakPolarHBondContact O-CB 3.37Å; F396-E400 PolarHBondContact O-N 3.17Å; A397-E400 PolarHBondContact O-N 2.86Å; E400-V402 PolarHBondContact O-N 3.46Å; E400-C403 WeakPolarHBondContact O-CA 3.22Å; E400-C403 WeakPolarHBondContact O-CB 3.46Å; E400-C403 PolarHBondContact O-N 3.04Å; E400-C403 VanDerWaalsContact O-N 3.09Å; E400-F404 HydrophobicContact CB-CD2 4.49Å; E400-F404 HydrophobicContact CB-CE2 4.04Å; E400-F404 HydrophobicContact CG-CD2 4.2Å; E400-F404 HydrophobicContact CG-CE2 3.42Å; E400-F404 VanDerWaalsContact CG-CE2 3.42Å; E400-F404 HydrophobicContact CG-CZ 3.66Å; E400-F404 WeakPolarHBondContact O-CD2 3.42Å; E400-F404 WeakPolarHBondContact O-CG 3.42Å; E400-F404 PolarHBondContact O-N 2.64Å; E400-I443 HydrophobicContact CG-CD1 3.74Å; E400-R501 IonicContact OE1-CZ 3.4Å; E400-R501 IonicContact OE1-NH1 3.48Å; E400-R501 PolarHBondContact OE1-NH1 2.83Å
401A95.9Very high95.2Very high0 Ų014.4 Ų14.40%06%0.063CC..Hα-helixtrans-61.1-40.5176.700000113.5F362 P364 A397 A398 L399 C403 F404 Q405 W505F362-A401 WeakPolarHBondContact O-CB 3.33Å; P364-A401 HydrophobicContact CG-CB 4.43Å; A397-A401 VanDerWaalsContact O-CB 3.29Å; A397-A401 WeakPolarHBondContact O-CB 3.48Å; A397-A401 PolarHBondContact O-N 3.18Å; A398-A401 PolarHBondContact O-N 2.88Å; L399-A401 VanDerWaalsContact C-N 3.3Å; L399-A401 PolarHBondContact O-N 3.34Å; A401-C403 VanDerWaalsContact C-N 3.27Å; A401-C403 PolarHBondContact O-N 3.37Å; A401-F404 PolarHBondContact O-N 2.9Å; A401-Q405 WeakPolarHBondContact O-CG 3.5Å; A401-Q405 PolarHBondContact O-N 2.82Å; A401-Q405 PolarHBondContact O-NE2 3.21Å; A401-W505 HydrophobicContact CB-CH2 3.95Å; A401-W505 HydrophobicContact CB-CZ3 3.74Å
402V95.6Very high95.1Very high0 Ų010.7 Ų10.70%05%0.048CC..Hα-helixtrans-61.9-40.4174.2179.10000110.3Y281 A327 V330 A398 L399 E400 T406 M430 L436Y281-V402 HydrophobicContact CD1-CG1 3.88Å; Y281-V402 HydrophobicContact CE1-CG1 3.88Å; A327-V402 HydrophobicContact CB-CG1 3.97Å; A327-V402 HydrophobicContact CB-CG2 4.4Å; V330-V402 HydrophobicContact CG1-CG2 4.16Å; A398-V402 PolarHBondContact O-N 3.42Å; L399-V402 PolarHBondContact O-N 2.98Å; E400-V402 PolarHBondContact O-N 3.46Å; V402-T406 WeakPolarHBondContact O-CB 3.46Å; V402-T406 PolarHBondContact O-N 3.38Å; V402-T406 PolarHBondContact O-OG1 3.24Å; V402-M430 HydrophobicContact CG2-CE 4.37Å; V402-L436 HydrophobicContact CB-CD1 4.28Å; V402-L436 HydrophobicContact CG1-CD1 4.39Å
403C96.4Very high94.8Very high0 Ų05.7 Ų5.70%03%0.029CC..Hα-helixtrans-68-39.6178.8-610000112.9L399 E400 A401 T406 R407 L436 Q440 I443L399-C403 PolarHBondContact O-N 3.2Å; L399-C403 PolarHBondContact O-SG 3.39Å; L399-C403 VanDerWaalsContact O-SG 3.34Å; E400-C403 WeakPolarHBondContact O-CA 3.22Å; E400-C403 WeakPolarHBondContact O-CB 3.46Å; E400-C403 PolarHBondContact O-N 3.04Å; E400-C403 VanDerWaalsContact O-N 3.09Å; A401-C403 VanDerWaalsContact C-N 3.27Å; A401-C403 PolarHBondContact O-N 3.37Å; C403-T406 WeakPolarHBondContact O-CB 3.3Å; C403-T406 PolarHBondContact O-N 2.87Å; C403-R407 WeakPolarHBondContact O-CB 3.13Å; C403-R407 PolarHBondContact O-N 3.34Å; C403-L436 VanDerWaalsContact SG-CD1 3.54Å; C403-Q440 VanDerWaalsContact CA-OE1 3.3Å; C403-Q440 PolarHBondContact O-NE2 3.41Å; C403-I443 HydrophobicContact CB-CB 4.37Å; C403-I443 HydrophobicContact CB-CD1 3.32Å; C403-I443 HydrophobicContact CB-CG1 4.41Å; C403-I443 HydrophobicContact CB-CG2 4.49Å
404F96.2Very high94.5Very high1 Ų17.7 Ų7.70%0.0044%0.04CC..Hα-helixtrans-68-43.4176.2-68.1-50.1000112.9Y361 E400 A401 T406 R407 E408 I443 R501 Y502 W505Y361-F404 HydrophobicContact CD1-CE2 4.14Å; Y361-F404 AromaticContact CE1-CE2 3.86Å; Y361-F404 HydrophobicContact CE1-CE2 3.86Å; Y361-F404 HydrophobicContact CE1-CZ 4.2Å; E400-F404 HydrophobicContact CB-CD2 4.49Å; E400-F404 HydrophobicContact CB-CE2 4.04Å; E400-F404 HydrophobicContact CG-CD2 4.2Å; E400-F404 HydrophobicContact CG-CE2 3.42Å; E400-F404 VanDerWaalsContact CG-CE2 3.42Å; E400-F404 HydrophobicContact CG-CZ 3.66Å; E400-F404 WeakPolarHBondContact O-CD2 3.42Å; E400-F404 WeakPolarHBondContact O-CG 3.42Å; E400-F404 PolarHBondContact O-N 2.64Å; A401-F404 PolarHBondContact O-N 2.9Å; F404-T406 VanDerWaalsContact C-N 3.27Å; F404-T406 PolarHBondContact O-N 3.08Å; F404-R407 WeakPolarHBondContact O-CB 3.44Å; F404-R407 PolarHBondContact O-N 2.89Å; F404-R407 VanDerWaalsContact O-N 3.11Å; F404-E408 WeakPolarHBondContact O-CG 3.44Å; F404-E408 PolarHBondContact O-N 3.14Å; F404-I443 HydrophobicContact CD1-CD1 4.09Å; F404-I443 HydrophobicContact CD1-CG1 4.44Å; F404-I443 HydrophobicContact CD1-CG2 3.81Å; F404-I443 HydrophobicContact CE1-CD1 3.8Å; F404-I443 HydrophobicContact CE1-CG1 3.98Å; F404-I443 HydrophobicContact CE1-CG2 4.05Å; F404-I443 HydrophobicContact CZ-CD1 4.07Å; F404-R501 HydrophobicContact CE1-CB 4.13Å; F404-R501 HydrophobicContact CZ-CB 3.87Å; F404-Y502 AromaticContact CD1-CD2 3.82Å; F404-Y502 HydrophobicContact CD1-CD2 3.82Å; F404-Y502 HydrophobicContact CE1-CD2 4.48Å; F404-W505 HydrophobicContact CB-CB 4.31Å; F404-W505 HydrophobicContact CB-CD2 3.47Å; F404-W505 VanDerWaalsContact CB-CD2 3.47Å; F404-W505 HydrophobicContact CB-CE3 4.12Å; F404-W505 HydrophobicContact CB-CG 3.52Å; F404-W505 HydrophobicContact CB-CZ2 4.17Å; F404-W505 HydrophobicContact CD1-CB 4.1Å; F404-W505 HydrophobicContact CD1-CG 4.18Å; F404-W505 HydrophobicContact CD2-CB 3.71Å; F404-W505 AromaticContact CD2-CD2 3.58Å; F404-W505 HydrophobicContact CD2-CD2 3.58Å; F404-W505 AromaticContact CD2-CE3 3.55Å; F404-W505 HydrophobicContact CD2-CE3 3.55Å; F404-W505 AromaticContact CD2-CG 3.65Å; F404-W505 HydrophobicContact CD2-CG 3.65Å; F404-W505 HydrophobicContact CD2-CZ3 4.35Å; F404-W505 HydrophobicContact CE1-CB 4.35Å; F404-W505 HydrophobicContact CE2-CB 3.97Å; F404-W505 HydrophobicContact CE2-CE3 4.35Å; F404-W505 HydrophobicContact CE2-CG 4.4Å; F404-W505 HydrophobicContact CG-CB 3.79Å; F404-W505 AromaticContact CG-CD2 3.75Å; F404-W505 HydrophobicContact CG-CD2 3.75Å; F404-W505 HydrophobicContact CG-CE3 4.19Å; F404-W505 AromaticContact CG-CG 3.53Å; F404-W505 HydrophobicContact CG-CG 3.53Å; F404-W505 HydrophobicContact CZ-CB 4.3Å
405Q94.6Very high94.3Very high13 Ų1312.7 Ų12.76%0.0616%0.062CC..Hα-helixtrans-60.4-40.9175-70.3177.5107.800111V324 I326 A401 R407 E408 I409 W505V324-Q405 HydrophobicContact CB-CB 4.42Å; V324-Q405 HydrophobicContact CG1-CB 3.64Å; V324-Q405 HydrophobicContact CG1-CG 4.07Å; V324-Q405 VanDerWaalsContact CG1-OE1 3.28Å; V324-Q405 HydrophobicContact CG2-CB 3.85Å; I326-Q405 PolarHBondContact O-NE2 3.38Å; A401-Q405 WeakPolarHBondContact O-CG 3.5Å; A401-Q405 PolarHBondContact O-N 2.82Å; A401-Q405 PolarHBondContact O-NE2 3.21Å; Q405-R407 VanDerWaalsContact C-N 3.34Å; Q405-R407 PolarHBondContact O-N 3.23Å; Q405-E408 PolarHBondContact O-N 3.19Å; Q405-I409 WeakPolarHBondContact O-CG1 3.35Å; Q405-I409 PolarHBondContact O-N 2.94Å; Q405-W505 HydrophobicContact CG-CH2 4.15Å; Q405-W505 HydrophobicContact CG-CZ2 3.69Å
406T94.4Very high94Very high0 Ų013.8 Ų13.80%07%0.068CC..Hα-helixtrans-59.5-45.5173.2-60.60000111.3N279 L287 V402 C403 F404 E408 I409 L410 L424 Q440N279-T406 VanDerWaalsContact ND2-CG2 3.32Å; N279-T406 WeakPolarHBondContact ND2-CG2 3.06Å; N279-T406 PolarHBondContact ND2-OG1 3.4Å; L287-T406 HydrophobicContact CD1-CG2 4.44Å; L287-T406 HydrophobicContact CD2-CG2 3.86Å; V402-T406 WeakPolarHBondContact O-CB 3.46Å; V402-T406 PolarHBondContact O-N 3.38Å; V402-T406 PolarHBondContact O-OG1 3.24Å; C403-T406 WeakPolarHBondContact O-CB 3.3Å; C403-T406 PolarHBondContact O-N 2.87Å; F404-T406 VanDerWaalsContact C-N 3.27Å; F404-T406 PolarHBondContact O-N 3.08Å; T406-E408 PolarHBondContact O-N 3.18Å; T406-I409 PolarHBondContact O-N 2.9Å; T406-L410 HydrophobicContact CG2-CD1 4.37Å; T406-L410 WeakPolarHBondContact O-CG 3.38Å; T406-L410 PolarHBondContact O-N 3.11Å; T406-L410 VanDerWaalsContact O-N 3.07Å; T406-L424 HydrophobicContact CG2-CD2 4.26Å; T406-Q440 VanDerWaalsContact CB-OE1 3.26Å; T406-Q440 PolarHBondContact OG1-OE1 2.94Å
407R95.1Very high93.5Very high13 Ų1315 Ų155%0.0498%0.077CC..Hα-helixtrans-61.2-41.6177.4177.7173172172.2-3.7112.8C403 F404 Q405 I409 L410 D411 I443 L444 S498 E499 Y502C403-R407 WeakPolarHBondContact O-CB 3.13Å; C403-R407 PolarHBondContact O-N 3.34Å; F404-R407 WeakPolarHBondContact O-CB 3.44Å; F404-R407 PolarHBondContact O-N 2.89Å; F404-R407 VanDerWaalsContact O-N 3.11Å; Q405-R407 VanDerWaalsContact C-N 3.34Å; Q405-R407 PolarHBondContact O-N 3.23Å; R407-I409 VanDerWaalsContact C-N 3.28Å; R407-I409 PolarHBondContact O-N 3.33Å; R407-L410 PolarHBondContact O-N 2.96Å; R407-L410 VanDerWaalsContact O-N 3.15Å; R407-D411 IonicContact NE-OD2 3.72Å; R407-D411 WeakPolarHBondContact O-CB 3.5Å; R407-D411 PolarHBondContact O-N 3.47Å; R407-I443 HydrophobicContact CB-CG2 4.02Å; R407-I443 WeakPolarHBondContact CD-O 3.29Å; R407-I443 HydrophobicContact CG-CG2 4.43Å; R407-I443 PolarHBondContact NH1-O 2.82Å; R407-L444 HydrophobicContact CB-CD2 3.63Å; R407-L444 HydrophobicContact CG-CD2 3.83Å; R407-S498 PolarHBondContact NH1-OG 3.47Å; R407-E499 IonicContact CZ-OE1 3.84Å; R407-E499 IonicContact NH1-OE1 3.29Å; R407-E499 VanDerWaalsContact NH2-CD 3.29Å; R407-E499 IonicContact NH2-OE1 2.87Å; R407-E499 PolarHBondContact NH2-OE1 3.34Å; R407-E499 IonicContact NH2-OE2 2.68Å; R407-E499 PolarHBondContact NH2-OE2 3.07Å; R407-Y502 HydrophobicContact CG-CD2 4.5Å; R407-Y502 HydrophobicContact CG-CE2 4.23Å; R407-Y502 VanDerWaalsContact CZ-CD1 3.43Å
408E93.7Very high92.7Very high7 Ų718.1 Ų18.13%0.03311%0.109CC..Hα-helixtrans-57.4-42.5176.9-73.5171.4150.200112.3P372 Y373 F404 Q405 T406 A412 Y502 W505P372-E408 HydrophobicContact CG-CB 4.29Å; Y373-E408 WeakPolarHBondContact CE2-OE1 3.43Å; Y373-E408 WeakPolarHBondContact CE2-OE2 3.44Å; Y373-E408 VanDerWaalsContact OH-CD 3.29Å; Y373-E408 PolarHBondContact OH-OE1 2.71Å; F404-E408 WeakPolarHBondContact O-CG 3.44Å; F404-E408 PolarHBondContact O-N 3.14Å; Q405-E408 PolarHBondContact O-N 3.19Å; T406-E408 PolarHBondContact O-N 3.18Å; E408-A412 WeakPolarHBondContact O-CB 3.37Å; E408-A412 PolarHBondContact O-N 3.4Å; E408-A412 VanDerWaalsContact O-N 3.09Å; E408-Y502 HydrophobicContact CG-CE2 3.77Å; E408-Y502 WeakPolarHBondContact CG-OH 3.18Å; E408-W505 PolarHBondContact OE1-NE1 2.82Å; E408-W505 PolarHBondContact OE2-NE1 3.26Å
409I92.8Very high91.8Very high0 Ų021.9 Ų21.90%013%0.128CC..Hα-helixtrans-66.1-43.2176.3-61.3-61.1000111.2L287 L302 V324 A371 Q405 T406 R407 A412 M413L287-I409 HydrophobicContact CB-CG2 3.84Å; L287-I409 HydrophobicContact CD1-CB 4.11Å; L287-I409 HydrophobicContact CD1-CG1 4.28Å; L287-I409 HydrophobicContact CD1-CG2 3.97Å; L287-I409 HydrophobicContact CD2-CB 4.14Å; L287-I409 HydrophobicContact CD2-CG2 3.9Å; L287-I409 HydrophobicContact CG-CG2 4.11Å; L302-I409 HydrophobicContact CD2-CD1 4.27Å; L302-I409 HydrophobicContact CD2-CG2 4.02Å; V324-I409 HydrophobicContact CG2-CG1 3.97Å; A371-I409 VanDerWaalsContact C-CD1 3.43Å; A371-I409 HydrophobicContact CB-CD1 3.54Å; A371-I409 WeakPolarHBondContact O-CD1 3.33Å; Q405-I409 WeakPolarHBondContact O-CG1 3.35Å; Q405-I409 PolarHBondContact O-N 2.94Å; T406-I409 PolarHBondContact O-N 2.9Å; R407-I409 VanDerWaalsContact C-N 3.28Å; R407-I409 PolarHBondContact O-N 3.33Å; I409-A412 WeakPolarHBondContact O-CB 3.07Å; I409-A412 PolarHBondContact O-N 3.45Å; I409-M413 HydrophobicContact CG2-CE 3.8Å; I409-M413 HydrophobicContact CG2-CG 4.49Å; I409-M413 HydrophobicContact CG2-SD 4.31Å; I409-M413 WeakPolarHBondContact O-CG 3.22Å; I409-M413 PolarHBondContact O-N 3Å
410L92.1Very high90.8Very high3 Ų326.6 Ų26.62%0.01616%0.159CC..Hα-helixtrans-66-40.5179-70.9-177000112.6V277 L287 T406 R407 A412 M413 N414 L421 L424 L444V277-L410 HydrophobicContact CG1-CD2 3.9Å; L287-L410 HydrophobicContact CD2-CD1 4.3Å; L287-L410 HydrophobicContact CD2-CD2 3.38Å; L287-L410 HydrophobicContact CD2-CG 3.54Å; T406-L410 HydrophobicContact CG2-CD1 4.37Å; T406-L410 WeakPolarHBondContact O-CG 3.38Å; T406-L410 PolarHBondContact O-N 3.11Å; T406-L410 VanDerWaalsContact O-N 3.07Å; R407-L410 PolarHBondContact O-N 2.96Å; R407-L410 VanDerWaalsContact O-N 3.15Å; L410-A412 VanDerWaalsContact C-N 3.31Å; L410-A412 PolarHBondContact O-N 3.06Å; L410-M413 HydrophobicContact CD2-SD 4.05Å; L410-M413 WeakPolarHBondContact O-CB 3.26Å; L410-M413 PolarHBondContact O-N 2.76Å; L410-N414 WeakPolarHBondContact O-CB 3.17Å; L410-N414 VanDerWaalsContact O-CG 3.3Å; L410-N414 PolarHBondContact O-N 2.84Å; L410-N414 PolarHBondContact O-ND2 2.87Å; L410-L421 HydrophobicContact CB-CD1 4.42Å; L410-L421 HydrophobicContact CD2-CD1 3.58Å; L410-L421 HydrophobicContact CG-CD1 4.42Å; L410-L424 HydrophobicContact CD1-CD1 4.29Å; L410-L424 HydrophobicContact CD1-CD2 4.22Å; L410-L444 HydrophobicContact CD1-CD1 3.58Å; L410-L444 HydrophobicContact CD1-CD2 3.65Å; L410-L444 HydrophobicContact CD1-CG 4.27Å
411D91.8Very high90.2Very high45 Ų4527.4 Ų27.424%0.24116%0.164CC..Hα-helixtrans-63-39.4175.5-75.2-12000110.8R407 N414 Q415 Y502R407-D411 IonicContact NE-OD2 3.72Å; R407-D411 WeakPolarHBondContact O-CB 3.5Å; R407-D411 PolarHBondContact O-N 3.47Å; D411-N414 PolarHBondContact O-N 3.04Å; D411-Q415 VanDerWaalsContact O-CG 3.28Å; D411-Q415 WeakPolarHBondContact O-CG 3.44Å; D411-Q415 PolarHBondContact O-N 2.89Å; D411-Q415 VanDerWaalsContact O-N 3.11Å; D411-Q415 PolarHBondContact O-NE2 3.45Å; D411-Q415 VanDerWaalsContact O-NE2 3.1Å; D411-Y502 WeakPolarHBondContact OD2-CE1 3.45Å
412A92.2Very high89.5Confident4 Ų433.2 Ų33.23%0.03320%0.199CC..Hα-helixtrans-63.4-43.1171.800000112.1N300 L302 P372 E408 I409 L410 N414 Q415 D416N300-A412 HydrophobicContact CB-CB 3.73Å; L302-A412 HydrophobicContact CD1-CB 4.03Å; L302-A412 HydrophobicContact CD2-CB 4.2Å; L302-A412 HydrophobicContact CG-CB 4.12Å; P372-A412 HydrophobicContact CB-CB 4.42Å; E408-A412 WeakPolarHBondContact O-CB 3.37Å; E408-A412 PolarHBondContact O-N 3.4Å; E408-A412 VanDerWaalsContact O-N 3.09Å; I409-A412 WeakPolarHBondContact O-CB 3.07Å; I409-A412 PolarHBondContact O-N 3.45Å; L410-A412 VanDerWaalsContact C-N 3.31Å; L410-A412 PolarHBondContact O-N 3.06Å; A412-N414 PolarHBondContact O-N 3.42Å; A412-Q415 PolarHBondContact O-N 3.34Å; A412-D416 PolarHBondContact O-N 3.09Å
413M92Very high89.2Confident0 Ų036.1 Ų36.10%021%0.213CC..Hα-helixtrans-63.8-39.7177.8-75.4179.4174.900112.2L287 R289 L302 L320 I409 L410 Q415 D416 S417L287-M413 HydrophobicContact CB-CE 3.68Å; L287-M413 HydrophobicContact CB-SD 4.39Å; L287-M413 VanDerWaalsContact O-CE 3.27Å; L287-M413 WeakPolarHBondContact O-CE 3.37Å; R289-M413 HydrophobicContact CB-CE 4.43Å; R289-M413 HydrophobicContact CB-SD 3.84Å; L302-M413 HydrophobicContact CD1-CB 4.08Å; L302-M413 HydrophobicContact CD1-CG 3.37Å; L320-M413 HydrophobicContact CB-CG 4.47Å; L320-M413 WeakPolarHBondContact O-CE 3.41Å; I409-M413 HydrophobicContact CG2-CE 3.8Å; I409-M413 HydrophobicContact CG2-CG 4.49Å; I409-M413 HydrophobicContact CG2-SD 4.31Å; I409-M413 WeakPolarHBondContact O-CG 3.22Å; I409-M413 PolarHBondContact O-N 3Å; L410-M413 HydrophobicContact CD2-SD 4.05Å; L410-M413 WeakPolarHBondContact O-CB 3.26Å; L410-M413 PolarHBondContact O-N 2.76Å; M413-Q415 VanDerWaalsContact C-N 3.35Å; M413-D416 PolarHBondContact O-N 3.25Å; M413-S417 VanDerWaalsContact O-CB 3.3Å; M413-S417 WeakPolarHBondContact O-CB 3.42Å; M413-S417 PolarHBondContact O-N 2.71Å; M413-S417 PolarHBondContact O-OG 2.93Å
414N89.8Confident89.1Confident42 Ų4236.2 Ų36.223%0.22521%0.213CC..Hα-helixtrans-64.7-41.1176.8-73.7-24.7000111.2R289 L410 D411 A412 G418 I419 L421R289-N414 PolarHBondContact NH1-OD1 3.4Å; R289-N414 VanDerWaalsContact NH1-OD1 3.12Å; L410-N414 WeakPolarHBondContact O-CB 3.17Å; L410-N414 VanDerWaalsContact O-CG 3.3Å; L410-N414 PolarHBondContact O-N 2.84Å; L410-N414 PolarHBondContact O-ND2 2.87Å; D411-N414 PolarHBondContact O-N 3.04Å; A412-N414 PolarHBondContact O-N 3.42Å; N414-G418 WeakPolarHBondContact O-CA 3.44Å; N414-G418 PolarHBondContact O-N 3.11Å; N414-I419 PolarHBondContact OD1-O 3.05Å; N414-L421 WeakPolarHBondContact OD1-CD1 3.29Å; N414-L421 PolarHBondContact OD1-N 3.06Å
415Q91Very high88.9Confident131 Ų13138 Ų3861%0.61222%0.221SC*.Hα-helixtrans-64.7-39.3176.1-72.3168.959.600112.4N300 D411 A412 M413N300-Q415 PolarHBondContact OD1-OE1 2.55Å; D411-Q415 VanDerWaalsContact O-CG 3.28Å; D411-Q415 WeakPolarHBondContact O-CG 3.44Å; D411-Q415 PolarHBondContact O-N 2.89Å; D411-Q415 VanDerWaalsContact O-N 3.11Å; D411-Q415 PolarHBondContact O-NE2 3.45Å; D411-Q415 VanDerWaalsContact O-NE2 3.1Å; A412-Q415 PolarHBondContact O-N 3.34Å; M413-Q415 VanDerWaalsContact C-N 3.35Å
416D90.4Very high88.9Confident23 Ų2337.4 Ų37.412%0.12322%0.219CC..Hα-helixtrans-78.9-32.9-178.1-73.6-32.3000113.9V296 S298 N299 N300 L320 A412 M413V296-D416 HydrophobicContact CG1-CB 4.43Å; V296-D416 WeakPolarHBondContact CG1-O 3.43Å; S298-D416 WeakPolarHBondContact CA-OD2 3.13Å; S298-D416 WeakPolarHBondContact CB-OD2 3.37Å; S298-D416 PolarHBondContact OG-OD2 2.77Å; N299-D416 PolarHBondContact N-OD1 3.42Å; N300-D416 PolarHBondContact ND2-OD1 3.06Å; L320-D416 HydrophobicContact CD1-CB 3.77Å; A412-D416 PolarHBondContact O-N 3.09Å; M413-D416 PolarHBondContact O-N 3.25Å
417S84.7Confident88.7Confident29 Ų2937.5 Ų37.520%0.20322%0.219CC..Hα-helixtrans-92.7-21.5-178.263.10000114.3R289 M413 I419R289-S417 PolarHBondContact NE-OG 2.74Å; R289-S417 PolarHBondContact NH1-OG 2.77Å; R289-S417 PolarHBondContact NH2-OG 3.38Å; M413-S417 VanDerWaalsContact O-CB 3.3Å; M413-S417 WeakPolarHBondContact O-CB 3.42Å; M413-S417 PolarHBondContact O-N 2.71Å; M413-S417 PolarHBondContact O-OG 2.93Å; S417-I419 PolarHBondContact O-N 2.85Å; S417-I419 PolarHBondContact OG-N 3.2Å
418G80.4Confident88.3Confident65 Ų6537.8 Ų37.867%0.6723%0.227SC*.  trans70.94-176.400000115.3N414N414-G418 WeakPolarHBondContact O-CA 3.44Å; N414-G418 PolarHBondContact O-N 3.11Å
419I76.1Confident87.9Confident79 Ų7940.2 Ų40.241%0.40525%0.253SS..  trans-116.3120.6-179-63.8165.8000108.8R289 N414 S417R289-I419 VanDerWaalsContact CZ-O 3.31Å; R289-I419 PolarHBondContact NH1-O 2.95Å; R289-I419 PolarHBondContact NH2-O 3.11Å; N414-I419 PolarHBondContact OD1-O 3.05Å; S417-I419 PolarHBondContact O-N 2.85Å; S417-I419 PolarHBondContact OG-N 3.2Å
420P76.7Confident87.7Confident101 Ų10141.3 Ų41.366%0.65626%0.259SS*.  trans-71141.2179.329-33.5000111.4
421L83.1Confident87.7Confident20 Ų2041.3 Ų41.311%0.10526%0.258CS..  trans-78.2137.4175.2-77.2157.5000111.9G275 V277 L410 N414 I446G275-L421 WeakPolarHBondContact O-CD2 3.35Å; V277-L421 HydrophobicContact CB-CD2 3.72Å; V277-L421 HydrophobicContact CG2-CD1 3.95Å; V277-L421 HydrophobicContact CG2-CD2 3.25Å; V277-L421 HydrophobicContact CG2-CG 4.17Å; L410-L421 HydrophobicContact CB-CD1 4.42Å; L410-L421 HydrophobicContact CD2-CD1 3.58Å; L410-L421 HydrophobicContact CG-CD1 4.42Å; N414-L421 WeakPolarHBondContact OD1-CD1 3.29Å; N414-L421 PolarHBondContact OD1-N 3.06Å; L421-I446 HydrophobicContact CB-CD1 4.18Å
422T80.6Confident87.7Confident121 Ų12143.5 Ų43.574%0.74227%0.274SS*.SBendtrans-106.5-17.8178.7550000113
423Q89.6Confident87.8Confident62 Ų6244 Ų4429%0.2928%0.276SS..EExtended strand (participates in β ladder)trans-158.4146.8-176.8-175.5168.367.200110.2S447 V449Q423-S447 WeakPolarHBondContact CA-O 3.42Å; Q423-S447 WeakPolarHBondContact CG-O 3.27Å; Q423-V449 HydrophobicContact CG-CB 4.43Å; Q423-V449 HydrophobicContact CG-CG2 3.8Å
424L93.1Very high87.9Confident1 Ų149.3 Ų49.31%0.00530%0.299CS..EExtended strand (participates in β ladder)trans-114.5119.8173.7179.564000110V277 N279 T406 L410 V426 Q440 L444 I446 S447 V448 V449V277-L424 HydrophobicContact CG1-CD1 3.7Å; N279-L424 HydrophobicContact CB-CD1 4.01Å; N279-L424 HydrophobicContact CB-CD2 4.34Å; N279-L424 HydrophobicContact CB-CG 4.49Å; T406-L424 HydrophobicContact CG2-CD2 4.26Å; L410-L424 HydrophobicContact CD1-CD1 4.29Å; L410-L424 HydrophobicContact CD1-CD2 4.22Å; L424-V426 HydrophobicContact CD2-CG1 3.91Å; L424-V426 HydrophobicContact CG-CG1 3.79Å; L424-Q440 HydrophobicContact CD2-CG 4.07Å; L424-L444 HydrophobicContact CB-CD1 4.35Å; L424-L444 HydrophobicContact CD2-CD1 3.64Å; L424-I446 HydrophobicContact CB-CD1 4.36Å; L424-S447 PolarHBondContact N-O 2.92Å; L424-V448 HydrophobicContact CB-CG2 4.37Å; L424-V448 HydrophobicContact CD2-CG2 4.49Å; L424-V448 CarbonylContact O-C 3.58Å; L424-V448 WeakPolarHBondContact O-CA 3.23Å; L424-V449 PolarHBondContact O-N 2.88Å
425Q93.6Very high88.2Confident39 Ų3949.1 Ų49.118%0.18230%0.298CS..EExtended strand (participates in β ladder)trans-85.2139.1170.2-63.4170.91.300109.4Q269 C271 V277 K278 N279 V449Q269-Q425 PolarHBondContact O-OE1 2.73Å; C271-Q425 PolarHBondContact SG-OE1 2.91Å; V277-Q425 PolarHBondContact O-N 2.95Å; K278-Q425 CarbonylContact C-O 3.54Å; K278-Q425 WeakPolarHBondContact CA-O 3.23Å; K278-Q425 HydrophobicContact CB-CB 4.33Å; N279-Q425 PolarHBondContact N-O 3.38Å; Q425-V449 WeakPolarHBondContact CA-O 3.27Å
426V93.4Very high88.4Confident0 Ų042.9 Ų42.90%027%0.268CS..EExtended strand (participates in β ladder)trans-132.5145.9-173.1-58.60000112Q269 N279 Y281 L424 T431 M437 V448 V449 K450 P451Q269-V426 PolarHBondContact NE2-O 2.87Å; Q269-V426 VanDerWaalsContact NE2-O 3.09Å; N279-V426 VanDerWaalsContact O-CA 3.31Å; N279-V426 WeakPolarHBondContact O-CA 3.27Å; Y281-V426 HydrophobicContact CD2-CB 4.25Å; Y281-V426 HydrophobicContact CD2-CG1 4.45Å; Y281-V426 HydrophobicContact CE2-CB 3.9Å; Y281-V426 HydrophobicContact CE2-CG1 3.63Å; L424-V426 HydrophobicContact CD2-CG1 3.91Å; L424-V426 HydrophobicContact CG-CG1 3.79Å; V426-T431 HydrophobicContact CB-CG2 4.01Å; V426-T431 HydrophobicContact CG2-CG2 3.99Å; V426-M437 HydrophobicContact CB-SD 4.41Å; V426-M437 HydrophobicContact CG2-SD 3.63Å; V426-V448 HydrophobicContact CB-CG1 4.33Å; V426-V448 HydrophobicContact CG1-CG1 3.66Å; V426-V448 HydrophobicContact CG2-CG1 3.65Å; V426-V449 PolarHBondContact N-O 3.37Å; V426-K450 HydrophobicContact CG2-CB 3.9Å; V426-K450 HydrophobicContact CG2-CG 4.45Å; V426-P451 WeakPolarHBondContact O-CD 3.49Å
427D90.8Very high88.7Confident2 Ų241.8 Ų41.81%0.01126%0.263CS..EExtended strand (participates in β ladder)trans-148.3179.8172.453.264.6000110.8Q269 N279 T280 Y281 T431 T456Q269-D427 WeakPolarHBondContact CG-OD2 3.48Å; Q269-D427 PolarHBondContact NE2-OD2 3.25Å; N279-D427 PolarHBondContact O-N 2.96Å; N279-D427 VanDerWaalsContact O-N 3.08Å; T280-D427 CarbonylContact C-O 3.59Å; T280-D427 WeakPolarHBondContact CA-O 3.4Å; T280-D427 VanDerWaalsContact CA-OD1 3.28Å; T280-D427 WeakPolarHBondContact CA-OD1 3.29Å; T280-D427 WeakPolarHBondContact CB-OD1 3.41Å; T280-D427 VanDerWaalsContact CG2-OD1 3.23Å; T280-D427 WeakPolarHBondContact CG2-OD1 3.4Å; T280-D427 PolarHBondContact OG1-OD1 2.81Å; Y281-D427 PolarHBondContact N-O 2.88Å; D427-T431 VanDerWaalsContact C-CG2 3.47Å; D427-T431 WeakPolarHBondContact O-CG2 3.42Å; D427-T456 HydrophobicContact CB-CG2 4.1Å; D427-T456 WeakPolarHBondContact CB-OG1 3.43Å; D427-T456 PolarHBondContact OD2-OG1 3.47Å
428G86.1Confident89.3Confident20 Ų2041.8 Ų41.821%0.20626%0.26CS..SBendtrans94.8167-178.300000114.1Y281 M430 T431Y281-G428 CarbonylContact O-C 3.4Å; Y281-G428 VanDerWaalsContact O-C 3.32Å; Y281-G428 WeakPolarHBondContact O-CA 3.44Å; G428-M430 VanDerWaalsContact C-N 3.34Å; G428-M430 PolarHBondContact O-N 3.2Å; G428-T431 WeakPolarHBondContact O-CB 3.35Å; G428-T431 WeakPolarHBondContact O-CG2 3.3Å; G428-T431 PolarHBondContact O-N 3.19Å; G428-T431 VanDerWaalsContact O-N 3.1Å; G428-T431 PolarHBondContact O-OG1 3.24Å
429G84.8Confident90.1Very high57 Ų5739.1 Ų39.159%0.58823%0.23SC*.G310 helixtrans-60.5-35.4-167.200000114.5Y281 T431 T432Y281-G429 PolarHBondContact O-N 3.14Å; Y281-G429 VanDerWaalsContact O-N 3.1Å; G429-T431 PolarHBondContact O-N 3.4Å; G429-T432 PolarHBondContact O-N 3.36Å; G429-T432 PolarHBondContact O-OG1 3.11Å
430M90.4Very high91.1Very high24 Ų2435.4 Ų35.412%0.11821%0.211CC..G310 helixtrans-71.5-15.4-179.2-52.2-175.771.600113.4Y281 A327 G328 V331 V402 G428 T432 N433 L436Y281-M430 PolarHBondContact O-N 3.12Å; A327-M430 HydrophobicContact CB-SD 4.05Å; G328-M430 WeakPolarHBondContact CA-SD 3.44Å; G328-M430 PolarHBondContact N-SD 3.46Å; V331-M430 HydrophobicContact CG2-CE 3.77Å; V402-M430 HydrophobicContact CG2-CE 4.37Å; G428-M430 VanDerWaalsContact C-N 3.34Å; G428-M430 PolarHBondContact O-N 3.2Å; M430-T432 PolarHBondContact O-N 3.47Å; M430-T432 VanDerWaalsContact O-N 3.14Å; M430-N433 VanDerWaalsContact O-CB 3.31Å; M430-N433 WeakPolarHBondContact O-CB 3.27Å; M430-N433 PolarHBondContact O-N 3.4Å; M430-L436 HydrophobicContact CB-CD2 3.65Å; M430-L436 HydrophobicContact CE-CD2 3.96Å; M430-L436 HydrophobicContact SD-CD2 4.46Å
431T91.5Very high92.1Very high2 Ų230.6 Ų30.61%0.01218%0.179CC..G310 helixtrans-68-11.2-179.666.70000112.8Y281 V426 D427 G428 G429 N433 M437 K450Y281-T431 HydrophobicContact CD2-CG2 3.85Å; Y281-T431 HydrophobicContact CG-CG2 4.45Å; V426-T431 HydrophobicContact CB-CG2 4.01Å; V426-T431 HydrophobicContact CG2-CG2 3.99Å; D427-T431 VanDerWaalsContact C-CG2 3.47Å; D427-T431 WeakPolarHBondContact O-CG2 3.42Å; G428-T431 WeakPolarHBondContact O-CB 3.35Å; G428-T431 WeakPolarHBondContact O-CG2 3.3Å; G428-T431 PolarHBondContact O-N 3.19Å; G428-T431 VanDerWaalsContact O-N 3.1Å; G428-T431 PolarHBondContact O-OG1 3.24Å; G429-T431 PolarHBondContact O-N 3.4Å; T431-N433 PolarHBondContact O-N 2.92Å; T431-M437 HydrophobicContact CG2-CE 4.11Å; T431-M437 HydrophobicContact CG2-SD 3.82Å; T431-K450 VanDerWaalsContact C-NZ 3.27Å; T431-K450 WeakPolarHBondContact O-CD 3.34Å; T431-K450 WeakPolarHBondContact O-CE 3.45Å; T431-K450 PolarHBondContact O-NZ 2.91Å; T431-K450 WeakPolarHBondContact OG1-CE 3.32Å
432T90.9Very high92.8Very high92 Ų9230.4 Ų30.456%0.56418%0.178SC*.G310 helixtrans-64.7-27169.658.50000112.5G429 M430 K434G429-T432 PolarHBondContact O-N 3.36Å; G429-T432 PolarHBondContact O-OG1 3.11Å; M430-T432 PolarHBondContact O-N 3.47Å; M430-T432 VanDerWaalsContact O-N 3.14Å; T432-K434 PolarHBondContact O-N 3.04Å
433N93.7Very high93.5Very high14 Ų1424.7 Ų24.78%0.07514%0.143CC..  trans-74.8106.3176.5-174.4-48.5000109.9E348 M430 T431 L435 L436 M437E348-N433 WeakPolarHBondContact CB-ND2 3.48Å; E348-N433 WeakPolarHBondContact OE2-CA 3.37Å; M430-N433 VanDerWaalsContact O-CB 3.31Å; M430-N433 WeakPolarHBondContact O-CB 3.27Å; M430-N433 PolarHBondContact O-N 3.4Å; T431-N433 PolarHBondContact O-N 2.92Å; N433-L435 VanDerWaalsContact C-N 3.32Å; N433-L435 PolarHBondContact O-N 3.02Å; N433-L435 WeakPolarHBondContact OD1-CB 3.49Å; N433-L435 PolarHBondContact OD1-N 2.84Å; N433-L436 HydrophobicContact CB-CB 3.96Å; N433-L436 PolarHBondContact O-N 3.46Å; N433-L436 PolarHBondContact OD1-N 3.45Å; N433-M437 WeakPolarHBondContact O-CG 3.3Å; N433-M437 PolarHBondContact O-N 2.99Å
434K94.6Very high93.8Very high111 Ų11122.9 Ų22.948%0.48314%0.136SC..Hα-helixtrans-70.2-33.7-175.3-67.9-169.2173.2-146.30111.6E348 T432 L436 M437 Q438 E487 F489E348-K434 PolarHBondContact OE1-N 3.3Å; T432-K434 PolarHBondContact O-N 3.04Å; K434-L436 VanDerWaalsContact C-N 3.35Å; K434-M437 PolarHBondContact O-N 2.53Å; K434-Q438 PolarHBondContact O-N 3.44Å; K434-E487 IonicContact NZ-OE1 3.87Å; K434-E487 PolarHBondContact NZ-OE1 3.35Å; K434-E487 IonicContact NZ-OE2 2.93Å; K434-F489 HydrophobicContact CB-CE1 4.44Å
435L95.6Very high93.9Very high38 Ų3824.5 Ų24.520%0.19915%0.147CC..Hα-helixtrans-61.6-43.7174.4179.461.8000111.2E348 A351 F396 L399 N433 M437 Q438 L439E348-L435 HydrophobicContact CG-CB 4.14Å; E348-L435 PolarHBondContact OE1-N 3.39Å; A351-L435 HydrophobicContact CB-CD2 3.5Å; F396-L435 HydrophobicContact CD2-CD2 4.47Å; F396-L435 HydrophobicContact CE2-CD1 4.46Å; L399-L435 HydrophobicContact CD1-CD2 3.95Å; L399-L435 HydrophobicContact CD1-CG 4.3Å; N433-L435 VanDerWaalsContact C-N 3.32Å; N433-L435 PolarHBondContact O-N 3.02Å; N433-L435 WeakPolarHBondContact OD1-CB 3.49Å; N433-L435 PolarHBondContact OD1-N 2.84Å; L435-M437 PolarHBondContact O-N 2.76Å; L435-Q438 PolarHBondContact O-N 2.83Å; L435-L439 HydrophobicContact CD1-CD1 4.22Å; L435-L439 HydrophobicContact CD1-CG 4.13Å; L435-L439 HydrophobicContact CG-CD1 3.96Å; L435-L439 HydrophobicContact CG-CG 4.32Å; L435-L439 WeakPolarHBondContact O-CB 3.46Å; L435-L439 WeakPolarHBondContact O-CG 3.33Å; L435-L439 PolarHBondContact O-N 3.41Å
436L96.3Very high94Very high0 Ų024.1 Ų24.10%015%0.146CC..Hα-helixtrans-60.5-44.5176.1-179.970.8000111.4Y281 L399 V402 C403 M430 N433 K434 L439 Q440Y281-L436 HydrophobicContact CD1-CD2 4.23Å; L399-L436 HydrophobicContact CB-CD1 4.19Å; L399-L436 HydrophobicContact CD2-CB 4.35Å; L399-L436 HydrophobicContact CD2-CD1 4.1Å; V402-L436 HydrophobicContact CB-CD1 4.28Å; V402-L436 HydrophobicContact CG1-CD1 4.39Å; C403-L436 VanDerWaalsContact SG-CD1 3.54Å; M430-L436 HydrophobicContact CB-CD2 3.65Å; M430-L436 HydrophobicContact CE-CD2 3.96Å; M430-L436 HydrophobicContact SD-CD2 4.46Å; N433-L436 HydrophobicContact CB-CB 3.96Å; N433-L436 PolarHBondContact O-N 3.46Å; N433-L436 PolarHBondContact OD1-N 3.45Å; K434-L436 VanDerWaalsContact C-N 3.35Å; L436-L439 PolarHBondContact O-N 3.41Å; L436-Q440 WeakPolarHBondContact O-CB 3.42Å; L436-Q440 PolarHBondContact O-N 3.25Å
437M97.1Very high94Very high0 Ų024.7 Ų24.70%015%0.149CC..Hα-helixtrans-63.6-42.3179.1-61.5-59.388.400112Y281 V426 T431 N433 K434 L435 Q440 A441 V448 F489Y281-M437 HydrophobicContact CD2-CE 4.48Å; Y281-M437 HydrophobicContact CE2-CE 4.35Å; V426-M437 HydrophobicContact CB-SD 4.41Å; V426-M437 HydrophobicContact CG2-SD 3.63Å; T431-M437 HydrophobicContact CG2-CE 4.11Å; T431-M437 HydrophobicContact CG2-SD 3.82Å; N433-M437 WeakPolarHBondContact O-CG 3.3Å; N433-M437 PolarHBondContact O-N 2.99Å; K434-M437 PolarHBondContact O-N 2.53Å; L435-M437 PolarHBondContact O-N 2.76Å; M437-Q440 PolarHBondContact O-N 2.89Å; M437-A441 PolarHBondContact O-N 2.94Å; M437-A441 VanDerWaalsContact O-N 3.11Å; M437-V448 HydrophobicContact SD-CG1 4.3Å; M437-F489 HydrophobicContact CB-CD1 3.91Å; M437-F489 HydrophobicContact CB-CD2 3.75Å; M437-F489 HydrophobicContact CB-CE1 3.82Å; M437-F489 HydrophobicContact CB-CE2 3.68Å; M437-F489 HydrophobicContact CB-CG 3.88Å; M437-F489 HydrophobicContact CB-CZ 3.71Å; M437-F489 HydrophobicContact CG-CE2 4.06Å; M437-F489 HydrophobicContact CG-CZ 4.15Å
438Q97.5Very high94.3Very high30 Ų3024.6 Ų24.614%0.1415%0.149CC..Hα-helixtrans-65.5-45.6174.9-172.45959.900111.6K434 L435 Q440 A441 D442 F489 D490 Q492K434-Q438 PolarHBondContact O-N 3.44Å; L435-Q438 PolarHBondContact O-N 2.83Å; Q438-Q440 VanDerWaalsContact C-N 3.26Å; Q438-Q440 PolarHBondContact O-N 3.08Å; Q438-A441 PolarHBondContact O-N 3.4Å; Q438-A441 VanDerWaalsContact O-N 3.17Å; Q438-D442 PolarHBondContact NE2-OD1 3.29Å; Q438-D442 WeakPolarHBondContact O-CB 3.47Å; Q438-D442 PolarHBondContact O-N 3.46Å; Q438-F489 HydrophobicContact CB-CD1 4.42Å; Q438-D490 PolarHBondContact NE2-O 3.33Å; Q438-Q492 VanDerWaalsContact OE1-NE2 3.14Å
439L96.8Very high94.6Very high9 Ų924.4 Ų24.45%0.04714%0.144CC..Hα-helixtrans-60-37.6176.6-73.9174.2000112.2F396 L399 L435 L436 D442 I443F396-L439 HydrophobicContact CE1-CD1 4.31Å; F396-L439 HydrophobicContact CE1-CD2 3.99Å; F396-L439 HydrophobicContact CE2-CD1 4.36Å; F396-L439 HydrophobicContact CE2-CD2 4.27Å; F396-L439 HydrophobicContact CZ-CD1 4.1Å; F396-L439 HydrophobicContact CZ-CD2 3.5Å; F396-L439 VanDerWaalsContact CZ-CD2 3.5Å; F396-L439 HydrophobicContact CZ-CG 4.4Å; L399-L439 HydrophobicContact CB-CD1 4.04Å; L435-L439 HydrophobicContact CD1-CD1 4.22Å; L435-L439 HydrophobicContact CD1-CG 4.13Å; L435-L439 HydrophobicContact CG-CD1 3.96Å; L435-L439 HydrophobicContact CG-CG 4.32Å; L435-L439 WeakPolarHBondContact O-CB 3.46Å; L435-L439 WeakPolarHBondContact O-CG 3.33Å; L435-L439 PolarHBondContact O-N 3.41Å; L436-L439 PolarHBondContact O-N 3.41Å; L439-D442 PolarHBondContact O-N 2.68Å; L439-I443 WeakPolarHBondContact O-CB 3.48Å; L439-I443 WeakPolarHBondContact O-CG1 2.96Å; L439-I443 PolarHBondContact O-N 2.87Å
440Q97.7Very high94.9Very high0 Ų023.2 Ų23.20%012%0.122CC..Hα-helixtrans-65.8-44.1176.7-172.768.67800111.4Y281 C403 T406 L424 L436 M437 Q438 D442 L444 V448Y281-Q440 VanDerWaalsContact OH-CG 3.29Å; Y281-Q440 WeakPolarHBondContact OH-CG 3.49Å; Y281-Q440 PolarHBondContact OH-OE1 3.06Å; C403-Q440 VanDerWaalsContact CA-OE1 3.3Å; C403-Q440 PolarHBondContact O-NE2 3.41Å; T406-Q440 VanDerWaalsContact CB-OE1 3.26Å; T406-Q440 PolarHBondContact OG1-OE1 2.94Å; L424-Q440 HydrophobicContact CD2-CG 4.07Å; L436-Q440 WeakPolarHBondContact O-CB 3.42Å; L436-Q440 PolarHBondContact O-N 3.25Å; M437-Q440 PolarHBondContact O-N 2.89Å; Q438-Q440 VanDerWaalsContact C-N 3.26Å; Q438-Q440 PolarHBondContact O-N 3.08Å; Q440-D442 VanDerWaalsContact C-N 3.33Å; Q440-L444 HydrophobicContact CG-CD1 3.88Å; Q440-L444 HydrophobicContact CG-CG 4.48Å; Q440-L444 VanDerWaalsContact NE2-CG 3.35Å; Q440-L444 WeakPolarHBondContact O-CB 3.32Å; Q440-L444 VanDerWaalsContact O-CG 3.25Å; Q440-L444 WeakPolarHBondContact O-CG 3.41Å; Q440-L444 PolarHBondContact O-N 3.44Å; Q440-V448 HydrophobicContact CB-CG2 4.15Å; Q440-V448 HydrophobicContact CG-CG2 3.94Å
441A97.5Very high94.7Very high0 Ų022.5 Ų22.50%012%0.12CC..Hα-helixtrans-61.6-43.5175.400000111.2M437 Q438 L444 C445 I446 V448 F489M437-A441 PolarHBondContact O-N 2.94Å; M437-A441 VanDerWaalsContact O-N 3.11Å; Q438-A441 PolarHBondContact O-N 3.4Å; Q438-A441 VanDerWaalsContact O-N 3.17Å; A441-L444 PolarHBondContact O-N 3.41Å; A441-C445 WeakPolarHBondContact O-CA 3.27Å; A441-C445 PolarHBondContact O-N 3.41Å; A441-I446 WeakPolarHBondContact CA-O 3.27Å; A441-I446 PolarHBondContact O-N 3.41Å; A441-V448 HydrophobicContact CB-CB 4.21Å; A441-V448 HydrophobicContact CB-CG2 3.86Å; A441-F489 HydrophobicContact CB-CB 4.13Å; A441-F489 WeakPolarHBondContact CB-O 3.15Å
442D97Very high94.1Very high16 Ų1625.9 Ų25.99%0.08614%0.144CC..Hα-helixtrans-60.8-51177.4-71.4-10.8000111.9Q438 L439 Q440 L444 C445 Q492 I493Q438-D442 PolarHBondContact NE2-OD1 3.29Å; Q438-D442 WeakPolarHBondContact O-CB 3.47Å; Q438-D442 PolarHBondContact O-N 3.46Å; L439-D442 PolarHBondContact O-N 2.68Å; Q440-D442 VanDerWaalsContact C-N 3.33Å; D442-L444 VanDerWaalsContact C-N 3.34Å; D442-L444 PolarHBondContact O-N 3.26Å; D442-C445 PolarHBondContact O-N 3.49Å; D442-C445 PolarHBondContact O-SG 2.91Å; D442-Q492 PolarHBondContact OD1-N 3.31Å; D442-I493 HydrophobicContact CB-CD1 3.79Å; D442-I493 HydrophobicContact CB-CG1 3.72Å; D442-I493 HydrophobicContact CB-CG2 4.29Å; D442-I493 WeakPolarHBondContact O-CD1 3.41Å; D442-I493 WeakPolarHBondContact O-CG1 3.36Å
443I96.5Very high93.5Very high1 Ų123.6 Ų23.61%0.00513%0.127CC..Hα-helixtrans-67.4-33.4-178.3-74.9166000112.1E400 C403 F404 R407 L439 S498E400-I443 HydrophobicContact CG-CD1 3.74Å; C403-I443 HydrophobicContact CB-CB 4.37Å; C403-I443 HydrophobicContact CB-CD1 3.32Å; C403-I443 HydrophobicContact CB-CG1 4.41Å; C403-I443 HydrophobicContact CB-CG2 4.49Å; F404-I443 HydrophobicContact CD1-CD1 4.09Å; F404-I443 HydrophobicContact CD1-CG1 4.44Å; F404-I443 HydrophobicContact CD1-CG2 3.81Å; F404-I443 HydrophobicContact CE1-CD1 3.8Å; F404-I443 HydrophobicContact CE1-CG1 3.98Å; F404-I443 HydrophobicContact CE1-CG2 4.05Å; F404-I443 HydrophobicContact CZ-CD1 4.07Å; R407-I443 HydrophobicContact CB-CG2 4.02Å; R407-I443 WeakPolarHBondContact CD-O 3.29Å; R407-I443 HydrophobicContact CG-CG2 4.43Å; R407-I443 PolarHBondContact NH1-O 2.82Å; L439-I443 WeakPolarHBondContact O-CB 3.48Å; L439-I443 WeakPolarHBondContact O-CG1 2.96Å; L439-I443 PolarHBondContact O-N 2.87Å; I443-S498 PolarHBondContact O-OG 2.99Å
444L95.4Very high92.5Very high24 Ų2425.8 Ų25.813%0.12614%0.142CC..Hα-helixtrans-84.3-20.6176.4-62.9174.4000113.2R407 L410 L424 Q440 A441 D442 I446R407-L444 HydrophobicContact CB-CD2 3.63Å; R407-L444 HydrophobicContact CG-CD2 3.83Å; L410-L444 HydrophobicContact CD1-CD1 3.58Å; L410-L444 HydrophobicContact CD1-CD2 3.65Å; L410-L444 HydrophobicContact CD1-CG 4.27Å; L424-L444 HydrophobicContact CB-CD1 4.35Å; L424-L444 HydrophobicContact CD2-CD1 3.64Å; Q440-L444 HydrophobicContact CG-CD1 3.88Å; Q440-L444 HydrophobicContact CG-CG 4.48Å; Q440-L444 VanDerWaalsContact NE2-CG 3.35Å; Q440-L444 WeakPolarHBondContact O-CB 3.32Å; Q440-L444 VanDerWaalsContact O-CG 3.25Å; Q440-L444 WeakPolarHBondContact O-CG 3.41Å; Q440-L444 PolarHBondContact O-N 3.44Å; A441-L444 PolarHBondContact O-N 3.41Å; D442-L444 VanDerWaalsContact C-N 3.34Å; D442-L444 PolarHBondContact O-N 3.26Å; L444-I446 HydrophobicContact CB-CD1 4.23Å; L444-I446 HydrophobicContact CB-CG1 3.74Å; L444-I446 HydrophobicContact CD1-CD1 4.25Å; L444-I446 HydrophobicContact CD1-CG1 4.25Å; L444-I446 PolarHBondContact O-N 3.07Å
445C95.4Very high92Very high36 Ų3622.7 Ų22.724%0.24313%0.129CC..THydrogen-bonded Turntrans54.431.4-169-64.90000113.1A441 D442 L495 S498A441-C445 WeakPolarHBondContact O-CA 3.27Å; A441-C445 PolarHBondContact O-N 3.41Å; D442-C445 PolarHBondContact O-N 3.49Å; D442-C445 PolarHBondContact O-SG 2.91Å; C445-L495 HydrophobicContact CB-CD1 4.25Å; C445-S498 VanDerWaalsContact SG-CB 3.53Å
446I94.3Very high91.7Very high31 Ų3121 Ų2116%0.15912%0.12CC..SBendtrans-134.4161172.573.2-174.2000109.2L421 L424 A441 L444L421-I446 HydrophobicContact CB-CD1 4.18Å; L424-I446 HydrophobicContact CB-CD1 4.36Å; A441-I446 WeakPolarHBondContact CA-O 3.27Å; A441-I446 PolarHBondContact O-N 3.41Å; L444-I446 HydrophobicContact CB-CD1 4.23Å; L444-I446 HydrophobicContact CB-CG1 3.74Å; L444-I446 HydrophobicContact CD1-CD1 4.25Å; L444-I446 HydrophobicContact CD1-CG1 4.25Å; L444-I446 PolarHBondContact O-N 3.07Å
447S94.9Very high91.6Very high11 Ų1121.9 Ų21.98%0.07713%0.126CC..EExtended strand (participates in β ladder)trans-69.4138.3-179.9-53.40000111.8Q423 L424 R488 F489 D490Q423-S447 WeakPolarHBondContact CA-O 3.42Å; Q423-S447 WeakPolarHBondContact CG-O 3.27Å; L424-S447 PolarHBondContact N-O 2.92Å; S447-R488 PolarHBondContact OG-NE 3.21Å; S447-R488 PolarHBondContact OG-NH2 2.96Å; S447-F489 WeakPolarHBondContact CA-O 3.42Å; S447-D490 WeakPolarHBondContact CB-OD1 3.2Å; S447-D490 PolarHBondContact OG-OD1 2.88Å
448V95.8Very high91.5Very high0 Ų021.9 Ų21.90%013%0.126CC..EExtended strand (participates in β ladder)trans-103.4129.3169.8171.70000108.4L424 V426 M437 Q440 A441 F489L424-V448 HydrophobicContact CB-CG2 4.37Å; L424-V448 HydrophobicContact CD2-CG2 4.49Å; L424-V448 CarbonylContact O-C 3.58Å; L424-V448 WeakPolarHBondContact O-CA 3.23Å; V426-V448 HydrophobicContact CB-CG1 4.33Å; V426-V448 HydrophobicContact CG1-CG1 3.66Å; V426-V448 HydrophobicContact CG2-CG1 3.65Å; M437-V448 HydrophobicContact SD-CG1 4.3Å; Q440-V448 HydrophobicContact CB-CG2 4.15Å; Q440-V448 HydrophobicContact CG-CG2 3.94Å; A441-V448 HydrophobicContact CB-CB 4.21Å; A441-V448 HydrophobicContact CB-CG2 3.86Å; V448-F489 HydrophobicContact CB-CB 4.29Å; V448-F489 PolarHBondContact N-O 3.03Å; V448-F489 PolarHBondContact O-N 2.85Å
449V92.7Very high91.4Very high16 Ų1620.8 Ų20.810%0.09712%0.121CC..EExtended strand (participates in β ladder)trans-118.9120-179.1176.40000110.2Q423 L424 Q425 V426 R488Q423-V449 HydrophobicContact CG-CB 4.43Å; Q423-V449 HydrophobicContact CG-CG2 3.8Å; L424-V449 PolarHBondContact O-N 2.88Å; Q425-V449 WeakPolarHBondContact CA-O 3.27Å; V426-V449 PolarHBondContact N-O 3.37Å; V449-R488 HydrophobicContact CG2-CG 4.29Å
450K91.4Very high91.3Very high32 Ų3220.3 Ų20.314%0.13912%0.118CC..EExtended strand (participates in β ladder)trans-106.8119177.4178.4-176.71761770109.3V426 T431 S486 E487 F489V426-K450 HydrophobicContact CG2-CB 3.9Å; V426-K450 HydrophobicContact CG2-CG 4.45Å; T431-K450 VanDerWaalsContact C-NZ 3.27Å; T431-K450 WeakPolarHBondContact O-CD 3.34Å; T431-K450 WeakPolarHBondContact O-CE 3.45Å; T431-K450 PolarHBondContact O-NZ 2.91Å; T431-K450 WeakPolarHBondContact OG1-CE 3.32Å; K450-S486 CarbonylContact O-C 3.26Å; K450-S486 WeakPolarHBondContact O-CA 3.22Å; K450-S486 WeakPolarHBondContact O-CB 3.27Å; K450-E487 PolarHBondContact N-O 3.25Å; K450-E487 PolarHBondContact O-N 3.26Å; K450-F489 HydrophobicContact CB-CE2 4.28Å
451P86Confident91.3Very high9 Ų920.3 Ų20.36%0.05812%0.118CC..EExtended strand (participates in β ladder)trans-66.6148.3172.730.2-32.2000110.4V426 M453 T456 V484V426-P451 WeakPolarHBondContact O-CD 3.49Å; P451-M453 VanDerWaalsContact C-N 3.27Å; P451-M453 PolarHBondContact O-N 3.13Å; P451-T456 HydrophobicContact CG-CG2 3.84Å; P451-V484 HydrophobicContact CB-CG1 3.76Å
452S79.6Confident91.4Very high74 Ų7420.3 Ų20.352%0.51712%0.118SC..SBendtrans-66.5-30176.961.90000112.5P454 T485S452-P454 VanDerWaalsContact O-CD 3.22Å; S452-P454 WeakPolarHBondContact O-CD 3.42Å; S452-T485 WeakPolarHBondContact CB-O 3.38Å; S452-T485 VanDerWaalsContact CB-OG1 3.32Å; S452-T485 WeakPolarHBondContact CB-OG1 3.33Å; S452-T485 PolarHBondContact N-O 3Å; S452-T485 PolarHBondContact OG-O 2.96Å; S452-T485 PolarHBondContact OG-OG1 3.35Å
453M78Confident91.4Very high44 Ų4419.6 Ų19.622%0.21711%0.114CC..SBendtrans-92.6104.6173.4-171.760.9-113.500109.7L36 P451 E455L36-M453 HydrophobicContact CB-CE 4.4Å; L36-M453 HydrophobicContact CB-SD 3.68Å; L36-M453 HydrophobicContact CD2-CE 3.64Å; L36-M453 HydrophobicContact CD2-SD 4.02Å; P451-M453 VanDerWaalsContact C-N 3.27Å; P451-M453 PolarHBondContact O-N 3.13Å; M453-E455 VanDerWaalsContact C-N 3.29Å; M453-E455 HydrophobicContact CE-CB 3.69Å; M453-E455 HydrophobicContact CE-CG 3.41Å; M453-E455 VanDerWaalsContact CE-CG 3.41Å; M453-E455 PolarHBondContact O-N 3.49Å
454P72.2Confident91.4Very high59 Ų5919.5 Ų19.538%0.38311%0.114SC..  trans-71.6-13.4-175.227.2-37.7000115.6S452 T456S452-P454 VanDerWaalsContact O-CD 3.22Å; S452-P454 WeakPolarHBondContact O-CD 3.42Å; P454-T456 VanDerWaalsContact C-N 3.29Å; P454-T456 PolarHBondContact O-N 3.31Å; P454-T456 VanDerWaalsContact O-N 3.11Å
455E83.8Confident91.6Very high47 Ų4718.4 Ų18.422%0.2211%0.108CC..  trans-90.152-172-56.5-65.3149.500112.4R25 L27 M453 T457 A458 L459R25-E455 IonicContact CZ-OE2 3.13Å; R25-E455 IonicContact NH1-OE1 2.71Å; R25-E455 IonicContact NH1-OE2 2.87Å; R25-E455 PolarHBondContact NH1-OE2 3.33Å; L27-E455 HydrophobicContact CD2-CB 3.68Å; L27-E455 HydrophobicContact CD2-CG 3.71Å; M453-E455 VanDerWaalsContact C-N 3.29Å; M453-E455 HydrophobicContact CE-CB 3.69Å; M453-E455 HydrophobicContact CE-CG 3.41Å; M453-E455 VanDerWaalsContact CE-CG 3.41Å; M453-E455 PolarHBondContact O-N 3.49Å; E455-T457 VanDerWaalsContact C-N 3.31Å; E455-T457 PolarHBondContact O-N 3.46Å; E455-A458 PolarHBondContact O-N 2.85Å; E455-L459 WeakPolarHBondContact O-CB 3.36Å; E455-L459 PolarHBondContact O-N 3.42Å
456T89.8Confident91.7Very high2 Ų216.7 Ų16.71%0.01210%0.097CC..Hα-helixtrans-63.5-34.1-175.253.50000112.8G268 Q269 D427 P451 P454 L459 G460G268-T456 WeakPolarHBondContact CA-O 3.4Å; Q269-T456 HydrophobicContact CG-CG2 3.88Å; D427-T456 HydrophobicContact CB-CG2 4.1Å; D427-T456 WeakPolarHBondContact CB-OG1 3.43Å; D427-T456 PolarHBondContact OD2-OG1 3.47Å; P451-T456 HydrophobicContact CG-CG2 3.84Å; P454-T456 VanDerWaalsContact C-N 3.29Å; P454-T456 PolarHBondContact O-N 3.31Å; P454-T456 VanDerWaalsContact O-N 3.11Å; T456-L459 PolarHBondContact O-N 2.91Å; T456-G460 PolarHBondContact O-N 3.02Å
457T93.6Very high91.8Very high19 Ų1916.4 Ų16.412%0.11710%0.099CC..Hα-helixtrans-56.1-56.5175.2-57.60000111.6T92 D261 A264 E455 L459 G460 A461T92-T457 HydrophobicContact CG2-CG2 3.8Å; D261-T457 HydrophobicContact CB-CG2 4.01Å; A264-T457 HydrophobicContact CB-CG2 4.23Å; A264-T457 VanDerWaalsContact CB-O 3.31Å; A264-T457 WeakPolarHBondContact CB-O 3.32Å; E455-T457 VanDerWaalsContact C-N 3.31Å; E455-T457 PolarHBondContact O-N 3.46Å; T457-L459 VanDerWaalsContact C-N 3.33Å; T457-L459 PolarHBondContact O-N 3.27Å; T457-G460 PolarHBondContact O-N 3.47Å; T457-A461 PolarHBondContact O-N 3.1Å
458A95.5Very high92Very high0 Ų015.9 Ų15.90%010%0.095CC..Hα-helixtrans-64.9-38.3178.600000112.2A16 D18 L27 F29 E455 G460 A461 A462A16-A458 HydrophobicContact CB-CB 4.12Å; A16-A458 WeakPolarHBondContact CB-O 3.29Å; D18-A458 HydrophobicContact CB-CB 4.21Å; L27-A458 HydrophobicContact CB-CB 4.3Å; L27-A458 HydrophobicContact CD1-CB 3.64Å; L27-A458 HydrophobicContact CD2-CB 4.02Å; L27-A458 HydrophobicContact CG-CB 4.19Å; F29-A458 HydrophobicContact CE2-CB 4.07Å; F29-A458 HydrophobicContact CZ-CB 4.1Å; E455-A458 PolarHBondContact O-N 2.85Å; A458-G460 VanDerWaalsContact C-N 3.34Å; A458-G460 PolarHBondContact O-N 3.41Å; A458-A461 PolarHBondContact O-N 3.22Å; A458-A462 PolarHBondContact O-N 3.31Å
459L94.9Very high92Very high6 Ų623.1 Ų23.13%0.03113%0.129CC..Hα-helixtrans-59.2-44.8175.9178.660.3000111.4F29 A34 E455 T456 T457 A461 A462 M463 W474F29-L459 HydrophobicContact CD1-CD1 3.97Å; F29-L459 HydrophobicContact CE1-CB 4.24Å; F29-L459 HydrophobicContact CE1-CD1 4.17Å; F29-L459 HydrophobicContact CG-CD1 4.25Å; F29-L459 HydrophobicContact CZ-CB 4.14Å; A34-L459 HydrophobicContact CB-CD1 4.05Å; E455-L459 WeakPolarHBondContact O-CB 3.36Å; E455-L459 PolarHBondContact O-N 3.42Å; T456-L459 PolarHBondContact O-N 2.91Å; T457-L459 VanDerWaalsContact C-N 3.33Å; T457-L459 PolarHBondContact O-N 3.27Å; L459-A461 VanDerWaalsContact C-N 3.33Å; L459-A461 PolarHBondContact O-N 3.18Å; L459-A462 WeakPolarHBondContact O-CB 3.29Å; L459-A462 PolarHBondContact O-N 3.13Å; L459-A462 VanDerWaalsContact O-N 3.17Å; L459-M463 HydrophobicContact CD1-CG 4.19Å; L459-M463 HydrophobicContact CD1-SD 4.35Å; L459-M463 HydrophobicContact CD2-SD 4.48Å; L459-M463 HydrophobicContact CG-CG 4.3Å; L459-M463 HydrophobicContact CG-SD 3.92Å; L459-M463 WeakPolarHBondContact O-CB 3.48Å; L459-M463 VanDerWaalsContact O-CG 3.24Å; L459-M463 WeakPolarHBondContact O-CG 3.38Å; L459-M463 PolarHBondContact O-N 3.26Å; L459-W474 HydrophobicContact CD1-CH2 3.54Å; L459-W474 HydrophobicContact CD1-CZ2 3.84Å
460G95.9Very high92.1Very high0 Ų025 Ų250%015%0.151CC..Hα-helixtrans-63.1-37.3178.600000113.6A264 T456 T457 A458 M463 A464A264-G460 WeakPolarHBondContact O-CA 3.35Å; T456-G460 PolarHBondContact O-N 3.02Å; T457-G460 PolarHBondContact O-N 3.47Å; A458-G460 VanDerWaalsContact C-N 3.34Å; A458-G460 PolarHBondContact O-N 3.41Å; G460-M463 PolarHBondContact O-N 3.46Å; G460-A464 WeakPolarHBondContact O-CB 3.23Å; G460-A464 PolarHBondContact O-N 3.43Å
461A98.3Very high92.4Very high0 Ų024.5 Ų24.50%015%0.151CC..Hα-helixtrans-65.9-41.317300000112A16 T92 T457 A458 L459 A464 A465A16-A461 HydrophobicContact CB-CB 4.24Å; T92-A461 HydrophobicContact CG2-CB 3.72Å; T457-A461 PolarHBondContact O-N 3.1Å; A458-A461 PolarHBondContact O-N 3.22Å; L459-A461 VanDerWaalsContact C-N 3.33Å; L459-A461 PolarHBondContact O-N 3.18Å; A461-A464 PolarHBondContact O-N 2.91Å; A461-A465 WeakPolarHBondContact O-CB 3.5Å; A461-A465 PolarHBondContact O-N 3.28Å
462A97.9Very high92.8Very high0 Ų032.8 Ų32.80%018%0.181CC..Hα-helixtrans-64-43.1174.200000111.9V14 A16 F29 A458 L459 A464 A465 G466 W474V14-A462 HydrophobicContact CB-CB 4.24Å; V14-A462 HydrophobicContact CG1-CB 3.91Å; V14-A462 WeakPolarHBondContact CG1-O 3.41Å; A16-A462 HydrophobicContact CB-CB 4.11Å; F29-A462 HydrophobicContact CD2-CB 3.68Å; F29-A462 HydrophobicContact CE2-CB 4.22Å; F29-A462 HydrophobicContact CG-CB 4.45Å; A458-A462 PolarHBondContact O-N 3.31Å; L459-A462 WeakPolarHBondContact O-CB 3.29Å; L459-A462 PolarHBondContact O-N 3.13Å; L459-A462 VanDerWaalsContact O-N 3.17Å; A462-A464 PolarHBondContact O-N 3.36Å; A462-A465 PolarHBondContact O-N 3.42Å; A462-G466 PolarHBondContact O-N 3.26Å; A462-W474 HydrophobicContact CB-CZ3 4.29Å
463M96.8Very high93.5Very high0 Ų030.9 Ų30.90%017%0.167CC..Hα-helixtrans-57.8-49.2175.6-75174.571.500111.1V267 M270 F272 L459 G460 A465 G466 A467 W474 L476 L481V267-M463 HydrophobicContact CG1-CB 4.27Å; M270-M463 HydrophobicContact CE-CE 4.42Å; M270-M463 HydrophobicContact CG-CE 4.18Å; F272-M463 HydrophobicContact CE2-CE 4.07Å; F272-M463 HydrophobicContact CZ-CE 3.95Å; L459-M463 HydrophobicContact CD1-CG 4.19Å; L459-M463 HydrophobicContact CD1-SD 4.35Å; L459-M463 HydrophobicContact CD2-SD 4.48Å; L459-M463 HydrophobicContact CG-CG 4.3Å; L459-M463 HydrophobicContact CG-SD 3.92Å; L459-M463 WeakPolarHBondContact O-CB 3.48Å; L459-M463 VanDerWaalsContact O-CG 3.24Å; L459-M463 WeakPolarHBondContact O-CG 3.38Å; L459-M463 PolarHBondContact O-N 3.26Å; G460-M463 PolarHBondContact O-N 3.46Å; M463-A465 PolarHBondContact O-N 2.94Å; M463-G466 PolarHBondContact O-N 3.47Å; M463-A467 WeakPolarHBondContact O-CB 3.49Å; M463-A467 PolarHBondContact O-N 3.2Å; M463-W474 HydrophobicContact CG-CD2 4.12Å; M463-W474 HydrophobicContact CG-CH2 4.27Å; M463-W474 HydrophobicContact CG-CZ2 3.63Å; M463-L476 HydrophobicContact CB-CD2 3.94Å; M463-L476 HydrophobicContact CE-CD2 3.68Å; M463-L481 HydrophobicContact CE-CD2 4.12Å
464A98.2Very high94.3Very high0 Ų029.6 Ų29.60%016%0.159CC..Hα-helixtrans-62.5-41.5177.300000112.5S239 L259 M310 G460 A461 A462 A467 A468S239-A464 WeakPolarHBondContact CB-O 3.41Å; S239-A464 PolarHBondContact OG-O 3.12Å; L259-A464 HydrophobicContact CD1-CB 3.34Å; M310-A464 HydrophobicContact CE-CB 4.42Å; M310-A464 HydrophobicContact SD-CB 4.17Å; G460-A464 WeakPolarHBondContact O-CB 3.23Å; G460-A464 PolarHBondContact O-N 3.43Å; A461-A464 PolarHBondContact O-N 2.91Å; A462-A464 PolarHBondContact O-N 3.36Å; A464-A467 PolarHBondContact O-N 3.45Å; A464-A468 PolarHBondContact O-N 3.28Å
465A98.6Very high95.1Very high0 Ų028.8 Ų28.80%016%0.155CC..Hα-helixtrans-67.1-44.2178.200000112.6V14 A88 S256 A461 A462 M463 A467 A468V14-A465 HydrophobicContact CG1-CB 4.05Å; A88-A465 HydrophobicContact CB-CB 4.11Å; S256-A465 PolarHBondContact OG-O 3.36Å; S256-A465 VanDerWaalsContact OG-O 3.12Å; A461-A465 WeakPolarHBondContact O-CB 3.5Å; A461-A465 PolarHBondContact O-N 3.28Å; A462-A465 PolarHBondContact O-N 3.42Å; M463-A465 PolarHBondContact O-N 2.94Å; A465-A467 VanDerWaalsContact C-N 3.29Å; A465-A467 PolarHBondContact O-N 2.52Å; A465-A468 WeakPolarHBondContact O-CB 3.22Å; A465-A468 PolarHBondContact O-N 3.24Å
466G97.7Very high95.3Very high0 Ų028.1 Ų28.10%015%0.153CC..Hα-helixtrans-66.9-29.5178.500000113.6A462 M463 R472 V473 W474A462-G466 PolarHBondContact O-N 3.26Å; M463-G466 PolarHBondContact O-N 3.47Å; G466-R472 CarbonylContact O-C 3.58Å; G466-R472 WeakPolarHBondContact O-CA 3.44Å; G466-R472 PolarHBondContact O-N 3.01Å; G466-V473 PolarHBondContact O-N 2.92Å; G466-W474 PolarHBondContact O-N 3.19Å; G466-W474 VanDerWaalsContact O-N 3.1Å
467A97.1Very high95Very high25 Ų2533.4 Ų33.421%0.20718%0.177CC..Hα-helixtrans-81.7-14179.300000114.2M463 A464 A465 W474 L476M463-A467 WeakPolarHBondContact O-CB 3.49Å; M463-A467 PolarHBondContact O-N 3.2Å; A464-A467 PolarHBondContact O-N 3.45Å; A465-A467 VanDerWaalsContact C-N 3.29Å; A465-A467 PolarHBondContact O-N 2.52Å; A467-W474 WeakPolarHBondContact CA-O 3.19Å; A467-L476 HydrophobicContact CB-CD1 3.58Å; A467-L476 HydrophobicContact CB-CD2 4.3Å; A467-L476 HydrophobicContact CB-CG 3.67Å
468A97.9Very high94.1Very high0 Ų036.5 Ų36.50%020%0.198CC..SBendtrans-57.8143.4-17400000112.6S239 S256 A464 A465 G470 V471 R472S239-A468 WeakPolarHBondContact OG-CA 3.45Å; S239-A468 PolarHBondContact OG-N 2.99Å; S256-A468 WeakPolarHBondContact O-CB 3.15Å; A464-A468 PolarHBondContact O-N 3.28Å; A465-A468 WeakPolarHBondContact O-CB 3.22Å; A465-A468 PolarHBondContact O-N 3.24Å; A468-G470 PolarHBondContact O-N 2.89Å; A468-V471 HydrophobicContact CB-CG2 4.41Å; A468-V471 PolarHBondContact O-N 3.3Å; A468-R472 PolarHBondContact O-N 3.46Å
469E96Very high92.9Very high152 Ų15244 Ų4471%0.7123%0.233SC*.THydrogen-bonded Turntrans-59.4129.3174-171.4174.9-17800110.2I241I241-E469 WeakPolarHBondContact CD1-O 3.24Å
470G94.8Very high91.7Very high55 Ų5548.8 Ų48.857%0.56726%0.258SS*.THydrogen-bonded Turntrans94.1-18.5-172.800000114.6A468A468-G470 PolarHBondContact O-N 2.89Å
471V97Very high90.4Very high22 Ų2250.3 Ų50.313%0.13327%0.266CS..THydrogen-bonded Turntrans-100.9-63171.9-178.80000110.3A88 I241 P254 A468 V473A88-V471 HydrophobicContact CB-CG1 3.73Å; A88-V471 HydrophobicContact CB-CG2 4.28Å; I241-V471 HydrophobicContact CD1-CG2 4.37Å; I241-V471 HydrophobicContact CG1-CG2 4.26Å; P254-V471 HydrophobicContact CG-CG2 3.99Å; A468-V471 HydrophobicContact CB-CG2 4.41Å; A468-V471 PolarHBondContact O-N 3.3Å; V471-V473 VanDerWaalsContact C-N 3.29Å; V471-V473 HydrophobicContact CG1-CG1 4.14Å; V471-V473 HydrophobicContact CG1-CG2 3.87Å; V471-V473 PolarHBondContact O-N 3.02Å
472R95.1Very high88.6Confident184 Ų18452 Ų5269%0.69428%0.278SS*.  trans47.643.4173.8-66-176.9-91.7-178.8-15.8115.1G466 A468G466-R472 CarbonylContact O-C 3.58Å; G466-R472 WeakPolarHBondContact O-CA 3.44Å; G466-R472 PolarHBondContact O-N 3.01Å; A468-R472 PolarHBondContact O-N 3.46Å
473V95.3Very high86.9Confident34 Ų3458.7 Ų58.721%0.20632%0.319CS..  trans-98-12.7174.2-58.30000113.2P12 V14 S31 K87 G466 V471P12-V473 HydrophobicContact CB-CB 3.74Å; P12-V473 HydrophobicContact CB-CG1 3.8Å; P12-V473 HydrophobicContact CB-CG2 4.3Å; P12-V473 HydrophobicContact CG-CB 3.99Å; P12-V473 HydrophobicContact CG-CG1 3.97Å; V14-V473 HydrophobicContact CG2-CG2 3.6Å; S31-V473 VanDerWaalsContact CB-O 3.31Å; S31-V473 WeakPolarHBondContact CB-O 3.44Å; S31-V473 PolarHBondContact OG-O 3.16Å; K87-V473 HydrophobicContact CB-CG1 4Å; K87-V473 HydrophobicContact CB-CG2 4.46Å; K87-V473 HydrophobicContact CG-CG1 4.11Å; G466-V473 PolarHBondContact O-N 2.92Å; V471-V473 VanDerWaalsContact C-N 3.29Å; V471-V473 HydrophobicContact CG1-CG1 4.14Å; V471-V473 HydrophobicContact CG1-CG2 3.87Å; V471-V473 PolarHBondContact O-N 3.02Å
474W93.9Very high85.5Confident17 Ų1761 Ų616%0.06433%0.334CS..SBendtrans-123.8125.1-179.9-155.9-57.4000110V14 F29 S31 A34 L459 A462 M463 G466 A467V14-W474 HydrophobicContact CB-CE3 4.37Å; V14-W474 HydrophobicContact CB-CZ3 4.44Å; V14-W474 HydrophobicContact CG2-CE3 4.03Å; F29-W474 HydrophobicContact CB-CH2 4.06Å; F29-W474 HydrophobicContact CB-CZ3 3.97Å; S31-W474 VanDerWaalsContact CA-CE3 3.43Å; A34-W474 HydrophobicContact CB-CH2 4.08Å; A34-W474 HydrophobicContact CB-CZ2 3.83Å; L459-W474 HydrophobicContact CD1-CH2 3.54Å; L459-W474 HydrophobicContact CD1-CZ2 3.84Å; A462-W474 HydrophobicContact CB-CZ3 4.29Å; M463-W474 HydrophobicContact CG-CD2 4.12Å; M463-W474 HydrophobicContact CG-CH2 4.27Å; M463-W474 HydrophobicContact CG-CZ2 3.63Å; G466-W474 PolarHBondContact O-N 3.19Å; G466-W474 VanDerWaalsContact O-N 3.1Å; A467-W474 WeakPolarHBondContact CA-O 3.19Å
475S89.9Confident84.5Confident42 Ų4265.6 Ų65.629%0.29436%0.362SS..  trans-91.1133174.3-171.60000110.3E477 D480S475-E477 PolarHBondContact OG-N 3.06Å; S475-D480 VanDerWaalsContact CB-OD2 3.29Å; S475-D480 WeakPolarHBondContact CB-OD2 3.3Å; S475-D480 WeakPolarHBondContact OG-CB 3.26Å; S475-D480 PolarHBondContact OG-OD2 3.32Å
476L87.6Confident83.9Confident33 Ų3368.8 Ų68.817%0.17338%0.384CS..  trans-101.64.2174.3-56.7-179.3000112F272 M310 M463 A467F272-L476 HydrophobicContact CZ-CD2 4.26Å; M310-L476 HydrophobicContact CE-CD1 4.25Å; M310-L476 HydrophobicContact CG-CD1 4.09Å; M310-L476 HydrophobicContact SD-CD1 4.14Å; M463-L476 HydrophobicContact CB-CD2 3.94Å; M463-L476 HydrophobicContact CE-CD2 3.68Å; A467-L476 HydrophobicContact CB-CD1 3.58Å; A467-L476 HydrophobicContact CB-CD2 4.3Å; A467-L476 HydrophobicContact CB-CG 3.67Å
477E82.3Confident83.6Confident113 Ų11372.4 Ų72.453%0.52840%0.401SS..SBendtrans-71.2135.6177.3-61.1-59.2153.200109.7S475 E479 D480 L481S475-E477 PolarHBondContact OG-N 3.06Å; E477-E479 PolarHBondContact O-N 2.76Å; E477-D480 PolarHBondContact O-N 2.94Å; E477-L481 WeakPolarHBondContact O-CG 3.47Å; E477-L481 PolarHBondContact O-N 3.19Å
478P74.4Confident83.4Confident84 Ų8477.8 Ų77.855%0.54542%0.416SS..THydrogen-bonded Turntrans-53.1-32.3-173.9-28.135.6000115D480P478-D480 VanDerWaalsContact C-N 3.33Å
479E71.9Confident83.4Confident158 Ų15878.5 Ų78.574%0.73842%0.419SS*.THydrogen-bonded Turntrans-73.5-24.4-177.9-58.476.5-163.800113.3E477E477-E479 PolarHBondContact O-N 2.76Å
480D69.6Low83.4Confident105 Ų10574.8 Ų74.856%0.56140%0.404SS*.THydrogen-bonded Turntrans-97.5-9.1-177.7-67.7-33.7000112.8S475 E477 P478 S482S475-D480 VanDerWaalsContact CB-OD2 3.29Å; S475-D480 WeakPolarHBondContact CB-OD2 3.3Å; S475-D480 WeakPolarHBondContact OG-CB 3.26Å; S475-D480 PolarHBondContact OG-OD2 3.32Å; E477-D480 PolarHBondContact O-N 2.94Å; P478-D480 VanDerWaalsContact C-N 3.33Å; D480-S482 PolarHBondContact O-N 3.39Å
481L67.2Low83.5Confident32 Ų3274.5 Ų74.517%0.16839%0.392CS..SBendtrans-70.2118.9178.4-66.5173.2000109.3M270 F272 M463 E477 T483M270-L481 HydrophobicContact CB-CD1 4.38Å; M270-L481 HydrophobicContact CE-CB 4.16Å; M270-L481 HydrophobicContact CE-CD2 3.92Å; M270-L481 HydrophobicContact CE-CG 4.44Å; M270-L481 HydrophobicContact CG-CD1 4.25Å; M270-L481 HydrophobicContact SD-CB 3.91Å; M270-L481 HydrophobicContact SD-CD1 3.74Å; M270-L481 HydrophobicContact SD-CD2 4.11Å; M270-L481 HydrophobicContact SD-CG 4.12Å; F272-L481 HydrophobicContact CD2-CD1 4.42Å; F272-L481 HydrophobicContact CE2-CD1 4.3Å; M463-L481 HydrophobicContact CE-CD2 4.12Å; E477-L481 WeakPolarHBondContact O-CG 3.47Å; E477-L481 PolarHBondContact O-N 3.19Å; L481-T483 PolarHBondContact O-N 3.4Å
482S62Low83.5Confident37 Ų3780.6 Ų80.626%0.25942%0.419SS..  trans-57.4138.617357.60000109.6T33 D480 V484T33-S482 PolarHBondContact O-OG 2.96Å; T33-S482 VanDerWaalsContact O-OG 3.06Å; D480-S482 PolarHBondContact O-N 3.39Å; S482-V484 PolarHBondContact O-N 3.28Å
483T62.6Low83.4Confident139 Ų13973.4 Ų73.485%0.85339%0.394SS*.  trans-63.7104.2175.5-45.70000108.6L481 T485L481-T483 PolarHBondContact O-N 3.4Å; T483-T485 PolarHBondContact O-N 3.36Å
484V67.3Low83.4Confident50 Ų5079.2 Ų79.230%0.30342%0.417SS..  trans-64.7118.7173-179.20000107.1M270 P451 S482 S486M270-V484 HydrophobicContact CE-CG2 3.6Å; M270-V484 HydrophobicContact SD-CG2 4.26Å; P451-V484 HydrophobicContact CB-CG1 3.76Å; S482-V484 PolarHBondContact O-N 3.28Å; V484-S486 PolarHBondContact O-N 3.26Å
485T76.3Confident83.4Confident96 Ų9683.2 Ų83.259%0.58944%0.438SS*.  trans-63.1133.217445.10000108.7S452 T483S452-T485 WeakPolarHBondContact CB-O 3.38Å; S452-T485 VanDerWaalsContact CB-OG1 3.32Å; S452-T485 WeakPolarHBondContact CB-OG1 3.33Å; S452-T485 PolarHBondContact N-O 3Å; S452-T485 PolarHBondContact OG-O 2.96Å; S452-T485 PolarHBondContact OG-OG1 3.35Å; T483-T485 PolarHBondContact O-N 3.36Å
486S85.2Confident83.8Confident67 Ų6787.7 Ų87.747%0.46946%0.455SS..EExtended strand (participates in β ladder)trans-139.4143.4-174.464.90000112K450 V484K450-S486 CarbonylContact O-C 3.26Å; K450-S486 WeakPolarHBondContact O-CA 3.22Å; K450-S486 WeakPolarHBondContact O-CB 3.27Å; V484-S486 PolarHBondContact O-N 3.26Å
487E91.3Very high84.1Confident75 Ų7590 Ų9035%0.3547%0.465SS..EExtended strand (participates in β ladder)trans-86.5132165.9-167173-160.700108.3K434 K450 F489K434-E487 IonicContact NZ-OE1 3.87Å; K434-E487 PolarHBondContact NZ-OE1 3.35Å; K434-E487 IonicContact NZ-OE2 2.93Å; K450-E487 PolarHBondContact N-O 3.25Å; K450-E487 PolarHBondContact O-N 3.26Å; E487-F489 HydrophobicContact CB-CE2 4.15Å; E487-F489 VanDerWaalsContact CD-CZ 3.48Å; E487-F489 HydrophobicContact CG-CE2 3.77Å; E487-F489 HydrophobicContact CG-CZ 3.76Å
488R94.3Very high84.7Confident138 Ų13884.6 Ų84.652%0.52144%0.439SS..EExtended strand (participates in β ladder)trans-114131.2-179.1-179.9178.4177.1134.1-0.9109.7S447 V449 D490S447-R488 PolarHBondContact OG-NE 3.21Å; S447-R488 PolarHBondContact OG-NH2 2.96Å; V449-R488 HydrophobicContact CG2-CG 4.29Å; R488-D490 IonicContact CZ-OD1 3.9Å; R488-D490 IonicContact NE-OD1 2.74Å; R488-D490 PolarHBondContact NE-OD1 2.88Å; R488-D490 IonicContact NE-OD2 2.88Å; R488-D490 PolarHBondContact NE-OD2 3.36Å; R488-D490 IonicContact NH2-OD1 2.75Å; R488-D490 PolarHBondContact NH2-OD1 3.14Å
489F96.6Very high85.8Confident15 Ų1584.4 Ų84.47%0.06643%0.431CS..EExtended strand (participates in β ladder)trans-112.8114.6174.8-57.2-96.8000107.8K434 M437 Q438 A441 S447 V448 K450 E487K434-F489 HydrophobicContact CB-CE1 4.44Å; M437-F489 HydrophobicContact CB-CD1 3.91Å; M437-F489 HydrophobicContact CB-CD2 3.75Å; M437-F489 HydrophobicContact CB-CE1 3.82Å; M437-F489 HydrophobicContact CB-CE2 3.68Å; M437-F489 HydrophobicContact CB-CG 3.88Å; M437-F489 HydrophobicContact CB-CZ 3.71Å; M437-F489 HydrophobicContact CG-CE2 4.06Å; M437-F489 HydrophobicContact CG-CZ 4.15Å; Q438-F489 HydrophobicContact CB-CD1 4.42Å; A441-F489 HydrophobicContact CB-CB 4.13Å; A441-F489 WeakPolarHBondContact CB-O 3.15Å; S447-F489 WeakPolarHBondContact CA-O 3.42Å; V448-F489 HydrophobicContact CB-CB 4.29Å; V448-F489 PolarHBondContact N-O 3.03Å; V448-F489 PolarHBondContact O-N 2.85Å; K450-F489 HydrophobicContact CB-CE2 4.28Å; E487-F489 HydrophobicContact CB-CE2 4.15Å; E487-F489 VanDerWaalsContact CD-CZ 3.48Å; E487-F489 HydrophobicContact CG-CE2 3.77Å; E487-F489 HydrophobicContact CG-CZ 3.76Å
490D97.4Very high86.9Confident74 Ų7483.1 Ų83.140%0.39642%0.424SS..  trans-98.3146.8177.3-70-55.9000110.1Q438 S447 R488 Q492Q438-D490 PolarHBondContact NE2-O 3.33Å; S447-D490 WeakPolarHBondContact CB-OD1 3.2Å; S447-D490 PolarHBondContact OG-OD1 2.88Å; R488-D490 IonicContact CZ-OD1 3.9Å; R488-D490 IonicContact NE-OD1 2.74Å; R488-D490 PolarHBondContact NE-OD1 2.88Å; R488-D490 IonicContact NE-OD2 2.88Å; R488-D490 PolarHBondContact NE-OD2 3.36Å; R488-D490 IonicContact NH2-OD1 2.75Å; R488-D490 PolarHBondContact NH2-OD1 3.14Å; D490-Q492 PolarHBondContact O-N 3.41Å
491P96.8Very high88.2Confident50 Ų5079.7 Ų79.733%0.32540%0.403SS..  trans-61.3132.3-177.824.9-34.3000111.4
492Q95.9Very high89.6Confident149 Ų14978.8 Ų78.870%0.69640%0.397SS*.  trans-106.2-9.3179.4-67.2178.711.700112.9Q438 D442 D490Q438-Q492 VanDerWaalsContact OE1-NE2 3.14Å; D442-Q492 PolarHBondContact OD1-N 3.31Å; D490-Q492 PolarHBondContact O-N 3.41Å
493I94.3Very high91.2Very high33 Ų3379.6 Ų79.617%0.16941%0.406CS..SBendtrans-105.7162174.372.2173.3000111.7D442 E497D442-I493 HydrophobicContact CB-CD1 3.79Å; D442-I493 HydrophobicContact CB-CG1 3.72Å; D442-I493 HydrophobicContact CB-CG2 4.29Å; D442-I493 WeakPolarHBondContact O-CD1 3.41Å; D442-I493 WeakPolarHBondContact O-CG1 3.36Å; I493-E497 HydrophobicContact CD1-CB 4.47Å; I493-E497 HydrophobicContact CD1-CG 4.37Å
494K94.9Very high92.8Very high157 Ų15779.7 Ų79.768%0.68339%0.391SS*.  trans-83.2156.8173.8-58.7-177179.7179.50111.3E496 E497 S498K494-E496 WeakPolarHBondContact CB-OE2 3.47Å; K494-E496 PolarHBondContact O-N 3.37Å; K494-E497 PolarHBondContact O-N 2.94Å; K494-E497 VanDerWaalsContact O-N 3.14Å; K494-S498 PolarHBondContact O-N 3.46Å
495L94.3Very high94.2Very high100 Ų10077.4 Ų77.452%0.52438%0.377SS..Hα-helixtrans-54.9-40177.5-177.162.2000112.2C445 E497 S498 E499C445-L495 HydrophobicContact CB-CD1 4.25Å; L495-E497 VanDerWaalsContact C-N 3.3Å; L495-E497 PolarHBondContact O-N 3.44Å; L495-S498 WeakPolarHBondContact O-CB 3.18Å; L495-S498 PolarHBondContact O-N 3.42Å; L495-E499 HydrophobicContact CD1-CG 4.31Å; L495-E499 HydrophobicContact CG-CG 4.32Å; L495-E499 WeakPolarHBondContact O-CG 3.49Å; L495-E499 PolarHBondContact O-N 2.98Å
496E97.1Very high95.1Very high136 Ų13676.8 Ų76.864%0.63637%0.366SS*.Hα-helixtrans-63.8-36.2-178.3-5784.6-178.900112.7K494 F500K494-E496 WeakPolarHBondContact CB-OE2 3.47Å; K494-E496 PolarHBondContact O-N 3.37Å; E496-F500 WeakPolarHBondContact O-CB 3.39Å; E496-F500 PolarHBondContact O-N 3.42Å
497E94.8Very high95.7Very high81 Ų8176.9 Ų76.938%0.37936%0.359SS..Hα-helixtrans-69.6-43.3176.8-176.3176.8168.400111I493 K494 L495 F500 R501I493-E497 HydrophobicContact CD1-CB 4.47Å; I493-E497 HydrophobicContact CD1-CG 4.37Å; K494-E497 PolarHBondContact O-N 2.94Å; K494-E497 VanDerWaalsContact O-N 3.14Å; L495-E497 VanDerWaalsContact C-N 3.3Å; L495-E497 PolarHBondContact O-N 3.44Å; E497-F500 PolarHBondContact O-N 3.11Å; E497-R501 WeakPolarHBondContact O-CG 3.34Å; E497-R501 PolarHBondContact O-N 2.67Å; E497-R501 IonicContact OE1-CZ 3.35Å; E497-R501 IonicContact OE1-NE 2.94Å; E497-R501 PolarHBondContact OE1-NE 3.03Å; E497-R501 IonicContact OE1-NH2 3.24Å; E497-R501 PolarHBondContact OE1-NH2 2.89Å
498S95.5Very high95.9Very high0 Ų073.5 Ų73.50%034%0.344CS..Hα-helixtrans-59.4-47.5175.8-177.20000111.9R407 I443 C445 K494 L495 F500 R501 Y502R407-S498 PolarHBondContact NH1-OG 3.47Å; I443-S498 PolarHBondContact O-OG 2.99Å; C445-S498 VanDerWaalsContact SG-CB 3.53Å; K494-S498 PolarHBondContact O-N 3.46Å; L495-S498 WeakPolarHBondContact O-CB 3.18Å; L495-S498 PolarHBondContact O-N 3.42Å; S498-F500 PolarHBondContact O-N 2.75Å; S498-R501 PolarHBondContact O-N 3.4Å; S498-Y502 VanDerWaalsContact O-CB 3.3Å; S498-Y502 WeakPolarHBondContact O-CB 3.27Å; S498-Y502 PolarHBondContact O-N 3.26Å
499E96.7Very high96Very high81 Ų8167 Ų6738%0.37932%0.319SS..Hα-helixtrans-60.5-42.2175.3-72-52.3135.300112.6R407 L495 Y502 A503R407-E499 IonicContact CZ-OE1 3.84Å; R407-E499 IonicContact NH1-OE1 3.29Å; R407-E499 VanDerWaalsContact NH2-CD 3.29Å; R407-E499 IonicContact NH2-OE1 2.87Å; R407-E499 PolarHBondContact NH2-OE1 3.34Å; R407-E499 IonicContact NH2-OE2 2.68Å; R407-E499 PolarHBondContact NH2-OE2 3.07Å; L495-E499 HydrophobicContact CD1-CG 4.31Å; L495-E499 HydrophobicContact CG-CG 4.32Å; L495-E499 WeakPolarHBondContact O-CG 3.49Å; L495-E499 PolarHBondContact O-N 2.98Å; E499-Y502 PolarHBondContact O-N 3.14Å; E499-A503 VanDerWaalsContact O-CB 3.29Å; E499-A503 WeakPolarHBondContact O-CB 3.4Å; E499-A503 PolarHBondContact O-N 3.03Å
500F95.6Very high95.9Very high131 Ų13172.8 Ų72.858%0.57534%0.344SS*.Hα-helixtrans-61.1-48.5178.7174-97.1000111.8E496 E497 S498 A503 R504E496-F500 WeakPolarHBondContact O-CB 3.39Å; E496-F500 PolarHBondContact O-N 3.42Å; E497-F500 PolarHBondContact O-N 3.11Å; S498-F500 PolarHBondContact O-N 2.75Å; F500-A503 PolarHBondContact O-N 2.94Å; F500-R504 HydrophobicContact CZ-CG 4.43Å; F500-R504 WeakPolarHBondContact O-CG 3.42Å; F500-R504 PolarHBondContact O-N 2.74Å
501R95.6Very high95.7Very high32 Ų3275.6 Ų75.612%0.12135%0.35CS..Hα-helixtrans-63.3-43.2178.1-67.4176.6-178.9-145.613.9111.2Y361 E400 F404 E497 S498 R504 W505Y361-R501 WeakPolarHBondContact CE1-O 3.31Å; Y361-R501 PolarHBondContact OH-O 3.34Å; E400-R501 IonicContact OE1-CZ 3.4Å; E400-R501 IonicContact OE1-NH1 3.48Å; E400-R501 PolarHBondContact OE1-NH1 2.83Å; F404-R501 HydrophobicContact CE1-CB 4.13Å; F404-R501 HydrophobicContact CZ-CB 3.87Å; E497-R501 WeakPolarHBondContact O-CG 3.34Å; E497-R501 PolarHBondContact O-N 2.67Å; E497-R501 IonicContact OE1-CZ 3.35Å; E497-R501 IonicContact OE1-NE 2.94Å; E497-R501 PolarHBondContact OE1-NE 3.03Å; E497-R501 IonicContact OE1-NH2 3.24Å; E497-R501 PolarHBondContact OE1-NH2 2.89Å; S498-R501 PolarHBondContact O-N 3.4Å; R501-R504 WeakPolarHBondContact O-CB 3.39Å; R501-R504 PolarHBondContact O-N 3.46Å; R501-W505 PolarHBondContact O-N 3.35Å
502Y96.3Very high95.6Very high14 Ų1473.2 Ų73.26%0.05533%0.334CS..Hα-helixtrans-67.3-37.5179.3-175.5-126.6000113.3F404 R407 E408 D411 S498 E499 R504 W505 K506F404-Y502 AromaticContact CD1-CD2 3.82Å; F404-Y502 HydrophobicContact CD1-CD2 3.82Å; F404-Y502 HydrophobicContact CE1-CD2 4.48Å; R407-Y502 HydrophobicContact CG-CD2 4.5Å; R407-Y502 HydrophobicContact CG-CE2 4.23Å; R407-Y502 VanDerWaalsContact CZ-CD1 3.43Å; E408-Y502 HydrophobicContact CG-CE2 3.77Å; E408-Y502 WeakPolarHBondContact CG-OH 3.18Å; D411-Y502 WeakPolarHBondContact OD2-CE1 3.45Å; S498-Y502 VanDerWaalsContact O-CB 3.3Å; S498-Y502 WeakPolarHBondContact O-CB 3.27Å; S498-Y502 PolarHBondContact O-N 3.26Å; E499-Y502 PolarHBondContact O-N 3.14Å; Y502-R504 VanDerWaalsContact C-N 3.3Å; Y502-R504 PolarHBondContact O-N 2.72Å; Y502-W505 HydrophobicContact CD2-CB 4.48Å; Y502-W505 AromaticContact CD2-CD1 3.9Å; Y502-W505 HydrophobicContact CD2-CG 4.5Å; Y502-W505 AromaticContact CE2-CD1 3.79Å; Y502-W505 WeakPolarHBondContact O-CB 3.49Å; Y502-W505 PolarHBondContact O-N 3.18Å; Y502-K506 HydrophobicContact CD1-CD 4.5Å; Y502-K506 HydrophobicContact CE1-CD 3.97Å; Y502-K506 HydrophobicContact CE1-CG 4.48Å; Y502-K506 HydrophobicContact CE2-CG 4.24Å; Y502-K506 PolarHBondContact O-N 3.45Å
503A96.6Very high95.4Very high54 Ų5468.1 Ų68.145%0.44631%0.311SS..Hα-helixtrans-61.2-39.9174.300000112E499 F500 E507E499-A503 VanDerWaalsContact O-CB 3.29Å; E499-A503 WeakPolarHBondContact O-CB 3.4Å; E499-A503 PolarHBondContact O-N 3.03Å; F500-A503 PolarHBondContact O-N 2.94Å; A503-E507 PolarHBondContact O-N 2.65Å
504R96Very high95Very high141 Ų14172.4 Ų72.453%0.53233%0.334SS..Hα-helixtrans-68.8-39.6174.6-70.8-64.4-145.5164.77.8112.5Y361 F500 R501 Y502 E507 A508Y361-R504 HydrophobicContact CE1-CB 3.92Å; Y361-R504 HydrophobicContact CE2-CB 3.68Å; Y361-R504 HydrophobicContact CE2-CG 4.44Å; Y361-R504 WeakPolarHBondContact OH-CB 3.4Å; F500-R504 HydrophobicContact CZ-CG 4.43Å; F500-R504 WeakPolarHBondContact O-CG 3.42Å; F500-R504 PolarHBondContact O-N 2.74Å; R501-R504 WeakPolarHBondContact O-CB 3.39Å; R501-R504 PolarHBondContact O-N 3.46Å; Y502-R504 VanDerWaalsContact C-N 3.3Å; Y502-R504 PolarHBondContact O-N 2.72Å; R504-E507 WeakPolarHBondContact O-CB 3.38Å; R504-E507 PolarHBondContact O-N 3.22Å; R504-A508 PolarHBondContact O-N 3.05Å
505W96.6Very high94.6Very high1 Ų173 Ų730%0.00433%0.332CS..Hα-helixtrans-55.4-51171.9164.8-99.2000111.6Y361 F362 V363 A401 F404 Q405 E408 R501 Y502 E507 A508 V509Y361-W505 HydrophobicContact CD1-CB 4.08Å; Y361-W505 HydrophobicContact CD1-CE3 4.22Å; Y361-W505 HydrophobicContact CE1-CB 4.04Å; F362-W505 VanDerWaalsContact O-CZ3 3.3Å; F362-W505 WeakPolarHBondContact O-CZ3 3.3Å; V363-W505 HydrophobicContact CB-CH2 4.19Å; V363-W505 HydrophobicContact CB-CZ3 4.36Å; V363-W505 HydrophobicContact CG1-CH2 4.14Å; V363-W505 HydrophobicContact CG2-CE3 4.41Å; V363-W505 HydrophobicContact CG2-CH2 4.01Å; V363-W505 HydrophobicContact CG2-CZ3 3.85Å; A401-W505 HydrophobicContact CB-CH2 3.95Å; A401-W505 HydrophobicContact CB-CZ3 3.74Å; F404-W505 HydrophobicContact CB-CB 4.31Å; F404-W505 HydrophobicContact CB-CD2 3.47Å; F404-W505 VanDerWaalsContact CB-CD2 3.47Å; F404-W505 HydrophobicContact CB-CE3 4.12Å; F404-W505 HydrophobicContact CB-CG 3.52Å; F404-W505 HydrophobicContact CB-CZ2 4.17Å; F404-W505 HydrophobicContact CD1-CB 4.1Å; F404-W505 HydrophobicContact CD1-CG 4.18Å; F404-W505 HydrophobicContact CD2-CB 3.71Å; F404-W505 AromaticContact CD2-CD2 3.58Å; F404-W505 HydrophobicContact CD2-CD2 3.58Å; F404-W505 AromaticContact CD2-CE3 3.55Å; F404-W505 HydrophobicContact CD2-CE3 3.55Å; F404-W505 AromaticContact CD2-CG 3.65Å; F404-W505 HydrophobicContact CD2-CG 3.65Å; F404-W505 HydrophobicContact CD2-CZ3 4.35Å; F404-W505 HydrophobicContact CE1-CB 4.35Å; F404-W505 HydrophobicContact CE2-CB 3.97Å; F404-W505 HydrophobicContact CE2-CE3 4.35Å; F404-W505 HydrophobicContact CE2-CG 4.4Å; F404-W505 HydrophobicContact CG-CB 3.79Å; F404-W505 AromaticContact CG-CD2 3.75Å; F404-W505 HydrophobicContact CG-CD2 3.75Å; F404-W505 HydrophobicContact CG-CE3 4.19Å; F404-W505 AromaticContact CG-CG 3.53Å; F404-W505 HydrophobicContact CG-CG 3.53Å; F404-W505 HydrophobicContact CZ-CB 4.3Å; Q405-W505 HydrophobicContact CG-CH2 4.15Å; Q405-W505 HydrophobicContact CG-CZ2 3.69Å; E408-W505 PolarHBondContact OE1-NE1 2.82Å; E408-W505 PolarHBondContact OE2-NE1 3.26Å; R501-W505 PolarHBondContact O-N 3.35Å; Y502-W505 HydrophobicContact CD2-CB 4.48Å; Y502-W505 AromaticContact CD2-CD1 3.9Å; Y502-W505 HydrophobicContact CD2-CG 4.5Å; Y502-W505 AromaticContact CE2-CD1 3.79Å; Y502-W505 WeakPolarHBondContact O-CB 3.49Å; Y502-W505 PolarHBondContact O-N 3.18Å; W505-E507 PolarHBondContact O-N 3.37Å; W505-E507 VanDerWaalsContact O-N 3.16Å; W505-A508 CarbonylContact O-C 3.54Å; W505-A508 WeakPolarHBondContact O-CA 3.39Å; W505-A508 VanDerWaalsContact O-CB 3.3Å; W505-A508 WeakPolarHBondContact O-CB 3.38Å; W505-A508 PolarHBondContact O-N 2.83Å; W505-V509 HydrophobicContact CD2-CG2 3.94Å; W505-V509 HydrophobicContact CG-CG2 4.37Å; W505-V509 HydrophobicContact CH2-CG2 4.27Å; W505-V509 HydrophobicContact CZ2-CG2 3.52Å; W505-V509 WeakPolarHBondContact O-CG2 3.45Å; W505-V509 PolarHBondContact O-N 3.08Å
506K95.9Very high93.8Very high83 Ų8372.7 Ų72.736%0.36133%0.328SS..Hα-helixtrans-57.1-34.3178.2-72-173-64.8-165.80112.7Y502 V509 K510Y502-K506 HydrophobicContact CD1-CD 4.5Å; Y502-K506 HydrophobicContact CE1-CD 3.97Å; Y502-K506 HydrophobicContact CE1-CG 4.48Å; Y502-K506 HydrophobicContact CE2-CG 4.24Å; Y502-K506 PolarHBondContact O-N 3.45Å; K506-V509 PolarHBondContact O-N 3.23Å; K506-K510 WeakPolarHBondContact O-CG 3.31Å; K506-K510 PolarHBondContact O-N 2.98Å
507E96.4Very high92.4Very high70 Ų7071 Ų7133%0.32733%0.327SS..Hα-helixtrans-71.3-34.6176.4-16744.6-147.700111.7A503 R504 W505 K510 R511A503-E507 PolarHBondContact O-N 2.65Å; R504-E507 WeakPolarHBondContact O-CB 3.38Å; R504-E507 PolarHBondContact O-N 3.22Å; W505-E507 PolarHBondContact O-N 3.37Å; W505-E507 VanDerWaalsContact O-N 3.16Å; E507-K510 IonicContact OE2-NZ 3.7Å; E507-R511 PolarHBondContact O-N 3.07Å; E507-R511 PolarHBondContact O-NH1 3.19Å; E507-R511 IonicContact OE1-CZ 2.74Å; E507-R511 VanDerWaalsContact OE1-CZ 3.24Å; E507-R511 IonicContact OE1-NH1 2.97Å; E507-R511 PolarHBondContact OE1-NH1 3.05Å; E507-R511 IonicContact OE1-NH2 3.68Å; E507-R511 PolarHBondContact OE1-NH2 2.94Å
508A96.3Very high90.3Very high3 Ų373.5 Ų73.53%0.02535%0.348CS..Hα-helixtrans-65.3-46.9168.800000111.6Y361 V363 I381 R504 W505 K510 R511 S512Y361-A508 HydrophobicContact CG-CB 4.38Å; V363-A508 HydrophobicContact CG2-CB 3.76Å; I381-A508 WeakPolarHBondContact CD1-O 3.31Å; R504-A508 PolarHBondContact O-N 3.05Å; W505-A508 CarbonylContact O-C 3.54Å; W505-A508 WeakPolarHBondContact O-CA 3.39Å; W505-A508 VanDerWaalsContact O-CB 3.3Å; W505-A508 WeakPolarHBondContact O-CB 3.38Å; W505-A508 PolarHBondContact O-N 2.83Å; A508-K510 VanDerWaalsContact C-N 3.31Å; A508-K510 PolarHBondContact O-N 3.18Å; A508-R511 WeakPolarHBondContact O-CB 3.49Å; A508-R511 PolarHBondContact O-N 3.29Å; A508-S512 PolarHBondContact O-N 3.09Å
509V95.4Very high87.8Confident1 Ų180.7 Ų80.71%0.00638%0.381CS..Hα-helixtrans-57.6-43177.8-177.60000111.4V363 L369 Y373 W505 K506 R511 S512 M513V363-V509 HydrophobicContact CG1-CG2 4.34Å; V363-V509 HydrophobicContact CG2-CG2 4.17Å; L369-V509 HydrophobicContact CD1-CG1 3.53Å; Y373-V509 HydrophobicContact CD2-CG1 4.18Å; Y373-V509 HydrophobicContact CE1-CG1 4.48Å; Y373-V509 HydrophobicContact CE2-CG1 3.72Å; W505-V509 HydrophobicContact CD2-CG2 3.94Å; W505-V509 HydrophobicContact CG-CG2 4.37Å; W505-V509 HydrophobicContact CH2-CG2 4.27Å; W505-V509 HydrophobicContact CZ2-CG2 3.52Å; W505-V509 WeakPolarHBondContact O-CG2 3.45Å; W505-V509 PolarHBondContact O-N 3.08Å; K506-V509 PolarHBondContact O-N 3.23Å; V509-R511 PolarHBondContact O-N 3.04Å; V509-S512 WeakPolarHBondContact O-CB 3.46Å; V509-S512 PolarHBondContact O-N 2.91Å; V509-S512 PolarHBondContact O-OG 2.91Å; V509-M513 HydrophobicContact CG1-CE 3.75Å; V509-M513 WeakPolarHBondContact O-CG 3.18Å; V509-M513 PolarHBondContact O-N 3.48Å
510K94.6Very high85.1Confident137 Ų13783 Ų8360%0.59640%0.401SS*.Hα-helixtrans-57.5-34175.5-73.2174-171.4173.40113.5K506 E507 A508 S512K506-K510 WeakPolarHBondContact O-CG 3.31Å; K506-K510 PolarHBondContact O-N 2.98Å; E507-K510 IonicContact OE2-NZ 3.7Å; A508-K510 VanDerWaalsContact C-N 3.31Å; A508-K510 PolarHBondContact O-N 3.18Å; K510-S512 VanDerWaalsContact C-N 3.29Å
511R94.7Very high82.4Confident134 Ų13481.9 Ų81.951%0.50641%0.405SS..Hα-helixtrans-73.3-21.1176.2-75172.9-179.763.88.3113.1I381 E507 A508 V509I381-R511 HydrophobicContact CD1-CB 3.66Å; E507-R511 PolarHBondContact O-N 3.07Å; E507-R511 PolarHBondContact O-NH1 3.19Å; E507-R511 IonicContact OE1-CZ 2.74Å; E507-R511 VanDerWaalsContact OE1-CZ 3.24Å; E507-R511 IonicContact OE1-NH1 2.97Å; E507-R511 PolarHBondContact OE1-NH1 3.05Å; E507-R511 IonicContact OE1-NH2 3.68Å; E507-R511 PolarHBondContact OE1-NH2 2.94Å; A508-R511 WeakPolarHBondContact O-CB 3.49Å; A508-R511 PolarHBondContact O-N 3.29Å; V509-R511 PolarHBondContact O-N 3.04Å
512S93.3Very high79.5Confident0 Ų088.6 Ų88.60%044%0.438CS..Hα-helixtrans-81.7-23.3179.4750000112.7A378 R379 A508 V509 K510A378-S512 CarbonylContact C-O 3.6Å; A378-S512 WeakPolarHBondContact CA-O 3.24Å; R379-S512 PolarHBondContact N-O 3.25Å; R379-S512 VanDerWaalsContact N-O 3.07Å; R379-S512 WeakPolarHBondContact O-CB 3.38Å; A508-S512 PolarHBondContact O-N 3.09Å; V509-S512 WeakPolarHBondContact O-CB 3.46Å; V509-S512 PolarHBondContact O-N 2.91Å; V509-S512 PolarHBondContact O-OG 2.91Å; K510-S512 VanDerWaalsContact C-N 3.29Å
513M91.4Very high76.7Confident42 Ų4293.5 Ų93.521%0.20747%0.469CS..THydrogen-bonded Turntrans-76.3156.1-177.3-61.6-178.4178.900112.5L369 Y373 E375 V509 W515L369-M513 HydrophobicContact CD1-CE 4.15Å; L369-M513 HydrophobicContact CD1-CG 4.34Å; Y373-M513 HydrophobicContact CD1-CE 3.29Å; Y373-M513 HydrophobicContact CD2-CE 4.26Å; Y373-M513 HydrophobicContact CE1-CE 3.75Å; Y373-M513 HydrophobicContact CG-CE 3.56Å; E375-M513 HydrophobicContact CG-CB 4.06Å; E375-M513 HydrophobicContact CG-CG 3.94Å; V509-M513 HydrophobicContact CG1-CE 3.75Å; V509-M513 WeakPolarHBondContact O-CG 3.18Å; V509-M513 PolarHBondContact O-N 3.48Å; M513-W515 PolarHBondContact O-N 2.94Å
514N87.4Confident74Confident123 Ų12399.8 Ų99.866%0.65849%0.489SS*.THydrogen-bonded Turntrans56.629.1179.8-55.1-66.4000113.4S377S377-N514 VanDerWaalsContact OG-CA 3.22Å; S377-N514 WeakPolarHBondContact OG-CA 3.42Å; S377-N514 PolarHBondContact OG-N 2.98Å
515W85.3Confident71.2Confident169 Ų16997.4 Ų97.464%0.6449%0.494SS*.  trans-77.8-48179.2-176-85.9000111.2S377 R379 M513S377-W515 PolarHBondContact O-N 3.21Å; R379-W515 HydrophobicContact CB-CB 4.07Å; R379-W515 HydrophobicContact CB-CG 3.85Å; R379-W515 HydrophobicContact CG-CB 4.11Å; R379-W515 VanDerWaalsContact CG-CD1 3.41Å; R379-W515 HydrophobicContact CG-CG 3.95Å; M513-W515 PolarHBondContact O-N 2.94Å
516E78.6Confident68.9Low94 Ų94109.8 Ų109.844%0.43954%0.541SS..SBendtrans-86.4120.9173.3-158.382.2-136.800110S377 R379S377-E516 VanDerWaalsContact CB-O 3.24Å; S377-E516 WeakPolarHBondContact CB-O 3.41Å; S377-E516 PolarHBondContact O-N 2.9Å; R379-E516 IonicContact CZ-OE2 3.74Å; R379-E516 VanDerWaalsContact CZ-OE2 3.3Å; R379-E516 IonicContact NE-OE2 3.08Å; R379-E516 PolarHBondContact NE-OE2 3.31Å; R379-E516 VanDerWaalsContact NE-OE2 3.08Å; R379-E516 IonicContact NH2-OE2 2.83Å; R379-E516 PolarHBondContact NH2-OE2 3.09Å
517T66.1Low66.2Low99 Ų99108.4 Ų108.461%0.60755%0.55SS*.  trans-88.3119.8173.950.10000110.2H519T517-H519 PolarHBondContact O-N 3.34Å
518T51.6Low63.6Low134 Ų134111 Ų11182%0.82257%0.571SS**  trans-72.11.7172.946.10000113.9T520T518-T520 PolarHBondContact O-N 3.39Å
519H44Very low60.7Low151 Ų151115.1 Ų115.170%0.69960%0.599SS**SBendtrans-81.8112.4169-67.1-68.2000109.1T517 V521T517-H519 PolarHBondContact O-N 3.34Å; H519-V521 VanDerWaalsContact C-N 3.33Å; H519-V521 PolarHBondContact O-N 2.95Å
520T38.6Very low58.7Low129 Ų129122.9 Ų122.979%0.79164%0.639SS**  trans-53.9107.9150.5380000106.1T518 E522T518-T520 PolarHBondContact O-N 3.39Å; T520-E522 VanDerWaalsContact C-N 3.34Å; T520-E522 PolarHBondContact O-N 2.98Å
521V39.1Very low56.4Low109 Ų109125.5 Ų125.566%0.66165%0.651SS**  trans-54.4110.1161.9179.20000104.3H519 T523H519-V521 VanDerWaalsContact C-N 3.33Å; H519-V521 PolarHBondContact O-N 2.95Å; V521-T523 HydrophobicContact CG1-CG2 4.08Å; V521-T523 PolarHBondContact O-N 2.78Å
522E35.6Very low54.1Low173 Ų173123.7 Ų123.781%0.80866%0.659SS**  trans-58.793.9162-76.8-176.8162.500104.9T520 E524T520-E522 VanDerWaalsContact C-N 3.34Å; T520-E522 PolarHBondContact O-N 2.98Å; E522-E524 PolarHBondContact O-N 2.76Å
523T36.8Very low52.4Low117 Ų117128.7 Ų128.772%0.71869%0.694SS**  trans-71.377173.140.50000107.6V521 S525V521-T523 HydrophobicContact CG1-CG2 4.08Å; V521-T523 PolarHBondContact O-N 2.78Å; T523-S525 PolarHBondContact O-N 2.98Å
524E40Very low51Low186 Ų186132.4 Ų132.487%0.86971%0.713SS**  trans-66.876.8144.1-78.5-164.2156.300107.6E522E522-E524 PolarHBondContact O-N 2.76Å
525S37.5Very low50.1Low91 Ų91130.4 Ų130.464%0.63671%0.707SS**SBendtrans164.3124144.350.30000109.9T523 G527T523-S525 PolarHBondContact O-N 2.98Å; S525-G527 VanDerWaalsContact C-N 3.34Å; S525-G527 PolarHBondContact O-N 2.95Å
526R47.6Very low49.2Very low261 Ų261128.4 Ų128.499%0.98571%0.708SS**  trans-54.6100.3152.6-76.1173.1167.6176.1-4.1108
527G40.1Very low49Very low53 Ų53125.9 Ų125.955%0.54671%0.707SS.*  trans-14294.4178.300000110.8S525S525-G527 VanDerWaalsContact C-N 3.34Å; S525-G527 PolarHBondContact O-N 2.95Å
528T40.5Very low49.5Very low126 Ų126128.3 Ų128.377%0.77371%0.71SS**  trans31.6105.2149.647.50000117.6I530T528-I530 PolarHBondContact O-N 3.06Å
529S37.4Very low50.7Low88 Ų88129.1 Ų129.162%0.61570%0.699SS**  trans-46.8122.4157167.20000109.9F531 S532S529-F531 PolarHBondContact O-N 3.34Å; S529-F531 PolarHBondContact OG-N 3.39Å; S529-S532 PolarHBondContact O-N 3.19Å
530I51.8Low52.4Low164 Ų164126 Ų12684%0.84169%0.686SS**SBendtrans-65.9-5179.4-68.9168.5000111.9T528T528-I530 PolarHBondContact O-N 3.06Å
531F46Very low54.6Low192 Ų192124.6 Ų124.684%0.84267%0.673SS**  trans-107.753.9171.2-71-80.5000112.2S529S529-F531 PolarHBondContact O-N 3.34Å; S529-F531 PolarHBondContact OG-N 3.39Å
532S46.3Very low56.8Low97 Ų97121 Ų12168%0.67866%0.658SS**  trans-92.794.2163.5630000109.5S529 I534S529-S532 PolarHBondContact O-N 3.19Å; S532-I534 PolarHBondContact O-N 3.5Å
533S59Low59.1Low105 Ų105115 Ų11573%0.73464%0.635SS**PPolyproline II helixtrans-59.4135.2159.651.30000108.7P535S533-P535 WeakPolarHBondContact O-CD 3.43Å; S533-P535 VanDerWaalsContact O-N 3.13Å
534I61Low61.3Low119 Ų119115.2 Ų115.261%0.6163%0.629SS**PPolyproline II helixtrans-51.9122.5173.6-62.6174000107.3S532 L536 F538S532-I534 PolarHBondContact O-N 3.5Å; I534-L536 PolarHBondContact O-N 3.27Å; I534-F538 HydrophobicContact CG2-CB 3.53Å
535P69.1Low63.6Low81 Ų81111.8 Ų111.853%0.52662%0.617SS.*PPolyproline II helixtrans-53.3133.4178.3-2431.7000109.3S533 G537 F538 Y539S533-P535 WeakPolarHBondContact O-CD 3.43Å; S533-P535 VanDerWaalsContact O-N 3.13Å; P535-G537 PolarHBondContact O-N 3.33Å; P535-F538 HydrophobicContact CB-CD2 4.13Å; P535-F538 HydrophobicContact CG-CD2 4.03Å; P535-F538 PolarHBondContact O-N 2.79Å; P535-Y539 PolarHBondContact O-N 2.9Å
536L66.6Low65.9Low128 Ų128114.7 Ų114.767%0.6762%0.622SS**Hα-helixtrans-47.8-33.6-172.6-172.469.9000113.1I534 Y539 I540I534-L536 PolarHBondContact O-N 3.27Å; L536-Y539 PolarHBondContact O-N 2.96Å; L536-I540 HydrophobicContact CD2-CD1 4.36Å; L536-I540 HydrophobicContact CG-CD1 3.92Å; L536-I540 HydrophobicContact CG-CG1 4.47Å; L536-I540 VanDerWaalsContact O-CG1 3.31Å; L536-I540 WeakPolarHBondContact O-CG1 3.31Å; L536-I540 PolarHBondContact O-N 3.41Å
537G73.4Confident67.6Low41 Ų41107.7 Ų107.742%0.42360%0.604SS.*Hα-helixtrans-59.3-44.4174.200000114.1P535 I540 I541P535-G537 PolarHBondContact O-N 3.33Å; G537-I540 PolarHBondContact O-N 2.75Å; G537-I541 WeakPolarHBondContact O-CB 3.32Å; G537-I541 WeakPolarHBondContact O-CD1 3.47Å; G537-I541 WeakPolarHBondContact O-CG1 3.41Å; G537-I541 PolarHBondContact O-N 3.39Å
538F77.4Confident69.6Low150 Ų150109.6 Ų109.666%0.65860%0.604SS**Hα-helixtrans-68.3-35177.4-79.8-73000112.2I534 P535 G542I534-F538 HydrophobicContact CG2-CB 3.53Å; P535-F538 HydrophobicContact CB-CD2 4.13Å; P535-F538 HydrophobicContact CG-CD2 4.03Å; P535-F538 PolarHBondContact O-N 2.79Å; F538-G542 PolarHBondContact O-N 2.99Å
539Y77.3Confident71.7Confident150 Ų150105 Ų10559%0.58858%0.582SS**Hα-helixtrans-65.3-45173.8178.7-99000111.9P535 L536 S543P535-Y539 PolarHBondContact O-N 2.9Å; L536-Y539 PolarHBondContact O-N 2.96Å; Y539-S543 WeakPolarHBondContact O-CB 3.19Å; Y539-S543 PolarHBondContact O-N 2.92Å; Y539-S543 PolarHBondContact O-OG 3.44Å
540I79.8Confident73.7Confident86 Ų86103.3 Ų103.344%0.44157%0.573SS.*Hα-helixtrans-65.6-45.5178.4-68170.3000110.9L536 G537 S543 M544L536-I540 HydrophobicContact CD2-CD1 4.36Å; L536-I540 HydrophobicContact CG-CD1 3.92Å; L536-I540 HydrophobicContact CG-CG1 4.47Å; L536-I540 VanDerWaalsContact O-CG1 3.31Å; L536-I540 WeakPolarHBondContact O-CG1 3.31Å; L536-I540 PolarHBondContact O-N 3.41Å; G537-I540 PolarHBondContact O-N 2.75Å; I540-S543 PolarHBondContact O-N 2.91Å; I540-M544 WeakPolarHBondContact O-CB 3.46Å; I540-M544 WeakPolarHBondContact O-CG 3.38Å; I540-M544 PolarHBondContact O-N 3.37Å
541I83.8Confident74.8Confident100 Ų100102 Ų10251%0.51356%0.561SS.*Hα-helixtrans-63.8-46.4179.2-68.6166.4000110.6G537 S543 M544 L545G537-I541 WeakPolarHBondContact O-CB 3.32Å; G537-I541 WeakPolarHBondContact O-CD1 3.47Å; G537-I541 WeakPolarHBondContact O-CG1 3.41Å; G537-I541 PolarHBondContact O-N 3.39Å; I541-S543 VanDerWaalsContact C-N 3.32Å; I541-S543 PolarHBondContact O-N 3.03Å; I541-M544 PolarHBondContact O-N 3.46Å; I541-L545 HydrophobicContact CG2-CD1 3.79Å; I541-L545 HydrophobicContact CG2-CG 4.32Å; I541-L545 WeakPolarHBondContact O-CB 3.21Å; I541-L545 WeakPolarHBondContact O-CG 3.43Å; I541-L545 PolarHBondContact O-N 2.89Å
542G85.8Confident76.4Confident34 Ų34101.1 Ų101.135%0.35155%0.554SS.*Hα-helixtrans-59.7-42.6177.200000112.3F538 L545 M546F538-G542 PolarHBondContact O-N 2.99Å; G542-L545 PolarHBondContact O-N 2.92Å; G542-M546 WeakPolarHBondContact O-CG 3.35Å; G542-M546 PolarHBondContact O-N 3.41Å
543S84.1Confident77.8Confident46 Ų46103.7 Ų103.732%0.32256%0.559SS.*Hα-helixtrans-66.8-41.4177.9-57.20000112.4Y539 I540 I541 M546 L547Y539-S543 WeakPolarHBondContact O-CB 3.19Å; Y539-S543 PolarHBondContact O-N 2.92Å; Y539-S543 PolarHBondContact O-OG 3.44Å; I540-S543 PolarHBondContact O-N 2.91Å; I541-S543 VanDerWaalsContact C-N 3.32Å; I541-S543 PolarHBondContact O-N 3.03Å; S543-M546 PolarHBondContact O-N 2.83Å; S543-L547 PolarHBondContact O-N 3.46Å
544M83.5Confident78.7Confident121 Ų121103.4 Ų103.460%0.59655%0.553SS**Hα-helixtrans-65.1-43175.5-82.9-78.8-17400112I540 I541 M546 L547 V548I540-M544 WeakPolarHBondContact O-CB 3.46Å; I540-M544 WeakPolarHBondContact O-CG 3.38Å; I540-M544 PolarHBondContact O-N 3.37Å; I541-M544 PolarHBondContact O-N 3.46Å; M544-M546 VanDerWaalsContact C-N 3.33Å; M544-M546 PolarHBondContact O-N 3.43Å; M544-L547 PolarHBondContact O-N 2.89Å; M544-V548 WeakPolarHBondContact O-CG2 3.3Å; M544-V548 PolarHBondContact O-N 3Å
545L87.4Confident78.7Confident115 Ų115101.1 Ų101.160%0.60256%0.559SS**Hα-helixtrans-63.7-38.8177-75.4170.8000111.9I541 G542 V548 G549I541-L545 HydrophobicContact CG2-CD1 3.79Å; I541-L545 HydrophobicContact CG2-CG 4.32Å; I541-L545 WeakPolarHBondContact O-CB 3.21Å; I541-L545 WeakPolarHBondContact O-CG 3.43Å; I541-L545 PolarHBondContact O-N 2.89Å; G542-L545 PolarHBondContact O-N 2.92Å; L545-V548 PolarHBondContact O-N 3.31Å; L545-G549 PolarHBondContact O-N 3.05Å
546M86.2Confident78.3Confident151 Ų151107 Ų10774%0.74457%0.571SS**Hα-helixtrans-63.9-41.4173.8-71.1-112.7-7400112G542 S543 M544 G549 A550G542-M546 WeakPolarHBondContact O-CG 3.35Å; G542-M546 PolarHBondContact O-N 3.41Å; S543-M546 PolarHBondContact O-N 2.83Å; M544-M546 VanDerWaalsContact C-N 3.33Å; M544-M546 PolarHBondContact O-N 3.43Å; M546-G549 PolarHBondContact O-N 3.47Å; M546-A550 VanDerWaalsContact O-CB 3.3Å; M546-A550 WeakPolarHBondContact O-CB 3.33Å; M546-A550 PolarHBondContact O-N 2.87Å
547L82.7Confident77.6Confident115 Ų115110.8 Ų110.860%0.60259%0.59SS**Hα-helixtrans-65.6-41.5175.5-88.1157.9000112.7S543 M544 A550 K551S543-L547 PolarHBondContact O-N 3.46Å; M544-L547 PolarHBondContact O-N 2.89Å; L547-A550 PolarHBondContact O-N 2.94Å; L547-K551 PolarHBondContact O-N 3.46Å
548V83.4Confident77.8Confident92 Ų92114.3 Ų114.356%0.55860%0.599SS**Hα-helixtrans-66.4-44.3175.6171.70000110.6M544 L545 A550 K551 Y552M544-V548 WeakPolarHBondContact O-CG2 3.3Å; M544-V548 PolarHBondContact O-N 3Å; L545-V548 PolarHBondContact O-N 3.31Å; V548-A550 VanDerWaalsContact C-N 3.34Å; V548-A550 PolarHBondContact O-N 3.31Å; V548-K551 PolarHBondContact O-N 3.23Å; V548-Y552 PolarHBondContact O-N 2.91Å
549G82.8Confident77.9Confident30 Ų30112.4 Ų112.431%0.30960%0.596SS.*Hα-helixtrans-59.9-42.8174.900000112.5L545 M546 Y552 L553L545-G549 PolarHBondContact O-N 3.05Å; M546-G549 PolarHBondContact O-N 3.47Å; G549-Y552 PolarHBondContact O-N 3.23Å; G549-L553 WeakPolarHBondContact O-CB 3.34Å; G549-L553 WeakPolarHBondContact O-CG 3.45Å; G549-L553 PolarHBondContact O-N 3.47Å
550A80.3Confident77.9Confident52 Ų52110.3 Ų110.343%0.4360%0.596SS.*Hα-helixtrans-64.9-38.7175.900000112.5M546 L547 V548 T554M546-A550 VanDerWaalsContact O-CB 3.3Å; M546-A550 WeakPolarHBondContact O-CB 3.33Å; M546-A550 PolarHBondContact O-N 2.87Å; L547-A550 PolarHBondContact O-N 2.94Å; V548-A550 VanDerWaalsContact C-N 3.34Å; V548-A550 PolarHBondContact O-N 3.31Å; A550-T554 WeakPolarHBondContact O-CB 3.39Å; A550-T554 WeakPolarHBondContact O-CG2 3.47Å; A550-T554 PolarHBondContact O-N 2.75Å; A550-T554 VanDerWaalsContact O-N 3.11Å; A550-T554 PolarHBondContact O-OG1 3.38Å
551K76Confident77.8Confident136 Ų136111.7 Ų111.759%0.59161%0.605SS**Hα-helixtrans-65.6-40.3173.4-86.4-170.5172.4-172.30112.6L547 V548 T554 G555L547-K551 PolarHBondContact O-N 3.46Å; V548-K551 PolarHBondContact O-N 3.23Å; K551-T554 WeakPolarHBondContact CA-OG1 3.49Å; K551-T554 PolarHBondContact O-N 3.23Å; K551-T554 PolarHBondContact O-OG1 3.39Å; K551-G555 PolarHBondContact O-N 3.39Å
552Y77.8Confident77.4Confident174 Ų174112.4 Ų112.468%0.68261%0.611SS**Hα-helixtrans-64.2-43.7176.2-168.2-96.4000111.8V548 G549 T554 G555 L557V548-Y552 PolarHBondContact O-N 2.91Å; G549-Y552 PolarHBondContact O-N 3.23Å; Y552-T554 VanDerWaalsContact C-N 3.3Å; Y552-T554 PolarHBondContact O-N 3.11Å; Y552-G555 PolarHBondContact O-N 3.4Å; Y552-L557 HydrophobicContact CD2-CD1 3.97Å; Y552-L557 HydrophobicContact CE2-CD1 4.4Å
553L77.3Confident76.9Confident152 Ų152117.7 Ų117.780%0.79663%0.628SS**Hα-helixtrans-69.4-24.1178.6-73.3167.2000113.9G549G549-L553 WeakPolarHBondContact O-CB 3.34Å; G549-L553 WeakPolarHBondContact O-CG 3.45Å; G549-L553 PolarHBondContact O-N 3.47Å
554T76.5Confident76.3Confident99 Ų99122.8 Ų122.861%0.60765%0.65SS**THydrogen-bonded Turntrans-93.53179.449.90000113.9A550 K551 Y552 R556A550-T554 WeakPolarHBondContact O-CB 3.39Å; A550-T554 WeakPolarHBondContact O-CG2 3.47Å; A550-T554 PolarHBondContact O-N 2.75Å; A550-T554 VanDerWaalsContact O-N 3.11Å; A550-T554 PolarHBondContact O-OG1 3.38Å; K551-T554 WeakPolarHBondContact CA-OG1 3.49Å; K551-T554 PolarHBondContact O-N 3.23Å; K551-T554 PolarHBondContact O-OG1 3.39Å; Y552-T554 VanDerWaalsContact C-N 3.3Å; Y552-T554 PolarHBondContact O-N 3.11Å; T554-R556 PolarHBondContact O-N 3.22Å
555G61.9Low75.8Confident71 Ų71122.9 Ų122.973%0.73265%0.654SS**THydrogen-bonded Turntrans66.118.4173.700000114.9K551 Y552K551-G555 PolarHBondContact O-N 3.39Å; Y552-G555 PolarHBondContact O-N 3.4Å
556R61Low74.8Confident204 Ų204123.6 Ų123.677%0.7766%0.659SS**  trans-111.379.5176.3-70.9-174178.9-174.70.4109.3T554T554-R556 PolarHBondContact O-N 3.22Å
557L52.1Low73.8Confident207 Ų207121.1 Ų121.1100%1.08465%0.651SS**  trans-92.10163.5-106.2157.8000109.4Y552Y552-L557 HydrophobicContact CD2-CD1 3.97Å; Y552-L557 HydrophobicContact CE2-CD1 4.4Å

Retrieved 557 of 557 residues in 289.3 ms (Link to these results)

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