A0A096MXJ0_PAPAN Loading...

Nudix hydrolase 8

AlphaFold DB , UniProt , Accession A0A096MXJ0, Species PAPAN (Papio anubis, Olive baboon), Gene NUDT8, Length 236 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
1M49.6Very low75.3Confident230 Ų23077.4 Ų77.4100%1.13342%0.422SS*.  0137.80-76.3-176140.100107.6
2L61.5Low76.9Confident78 Ų7881 Ų8141%0.40844%0.44SS..  trans-62.2132.1171.6-72.8166000107.9D4 A145 L148L2-D4 PolarHBondContact O-N 3.21Å; L2-A145 HydrophobicContact CD1-CB 3.81Å; L2-L148 HydrophobicContact CD2-CD1 3.16Å; L2-L148 HydrophobicContact CD2-CG 4.48Å
3P61Low78.3Confident38 Ų3881.2 Ų81.225%0.24743%0.43CS..  trans-56.9138.616919-24.3000108.1C5 A194P3-C5 PolarHBondContact O-N 2.99Å; P3-A194 HydrophobicContact CG-CB 3.85Å
4D69.3Low79.5Confident114 Ų11475.4 Ų75.461%0.6140%0.399SS*.  trans-73.370.4178.2-164.9-1.4000109.2L2 L6 S7L2-D4 PolarHBondContact O-N 3.21Å; D4-L6 PolarHBondContact O-N 2.92Å; D4-S7 VanDerWaalsContact O-CB 3.24Å; D4-S7 WeakPolarHBondContact O-CB 3.5Å; D4-S7 PolarHBondContact O-N 3.05Å; D4-S7 PolarHBondContact O-OG 2.95Å; D4-S7 PolarHBondContact OD1-N 3.33Å
5C69.9Low80.7Confident3 Ų375.2 Ų75.22%0.0239%0.391CS..THydrogen-bonded Turntrans-65.4-21.5-175.757.30000112.2P3 W100 L144 L193P3-C5 PolarHBondContact O-N 2.99Å; C5-W100 WeakPolarHBondContact O-CH2 3.43Å; C5-L144 WeakPolarHBondContact SG-CD1 3.31Å; C5-L193 HydrophobicContact CB-CB 4.22Å; C5-L193 HydrophobicContact CB-CD2 4.23Å
6L75.6Confident81.7Confident54 Ų5483.9 Ų83.928%0.28342%0.417SS..THydrogen-bonded Turntrans-86.4-5.2172.3-72.2177.9000113.2D4 L38 P45D4-L6 PolarHBondContact O-N 2.92Å; L6-L38 HydrophobicContact CD2-CD1 4.42Å; L6-L38 HydrophobicContact CD2-CD2 3.82Å; L6-L38 HydrophobicContact CD2-CG 3.7Å; L6-P45 HydrophobicContact CD1-CB 3.68Å; L6-P45 HydrophobicContact CG-CB 4.1Å
7S84.2Confident82.6Confident31 Ų3185.5 Ų85.522%0.21743%0.427CS..SBendtrans-66.8155.7173.468.80000111.6D4 E9 G10 E11D4-S7 VanDerWaalsContact O-CB 3.24Å; D4-S7 WeakPolarHBondContact O-CB 3.5Å; D4-S7 PolarHBondContact O-N 3.05Å; D4-S7 PolarHBondContact O-OG 2.95Å; D4-S7 PolarHBondContact OD1-N 3.33Å; S7-E9 PolarHBondContact O-N 2.74Å; S7-G10 WeakPolarHBondContact O-CA 3.24Å; S7-G10 PolarHBondContact O-N 2.99Å; S7-G10 PolarHBondContact OG-N 2.69Å; S7-E11 PolarHBondContact O-N 3.01Å
8A86.6Confident83.4Confident84 Ų8481.6 Ų81.669%0.69441%0.407SS*.Hα-helixtrans-55.6-34.5172.900000112.6L12A8-L12 VanDerWaalsContact O-CB 3.31Å; A8-L12 WeakPolarHBondContact O-CB 3.34Å; A8-L12 PolarHBondContact O-N 2.63Å
9E88.6Confident84.1Confident159 Ų15980.2 Ų80.274%0.74341%0.41SS*.Hα-helixtrans-69.8-42.5175.8-172.3-179.5175.200111.7S7 L12 R13S7-E9 PolarHBondContact O-N 2.74Å; E9-L12 PolarHBondContact O-N 3.42Å; E9-R13 WeakPolarHBondContact O-CB 3.25Å; E9-R13 PolarHBondContact O-N 3.5Å
10G89.3Confident84.6Confident1 Ų178.2 Ų78.21%0.0141%0.41CS..Hα-helixtrans-59.8-46.5175.100000112.2S7 R13 C14S7-G10 WeakPolarHBondContact O-CA 3.24Å; S7-G10 PolarHBondContact O-N 2.99Å; S7-G10 PolarHBondContact OG-N 2.69Å; G10-R13 PolarHBondContact O-N 2.88Å; G10-C14 PolarHBondContact O-N 3.36Å; G10-C14 PolarHBondContact O-SG 2.79Å
11E93.2Very high85Confident59 Ų5976.4 Ų76.428%0.27641%0.406SS..Hα-helixtrans-60-52.7174.8173.7169.6169.300111.6S7 R13 C14 R15 W100S7-E11 PolarHBondContact O-N 3.01Å; E11-R13 VanDerWaalsContact C-N 3.27Å; E11-R13 PolarHBondContact O-N 3.46Å; E11-C14 PolarHBondContact O-N 3.39Å; E11-C14 VanDerWaalsContact O-N 3.09Å; E11-R15 HydrophobicContact CG-CG 4.35Å; E11-R15 WeakPolarHBondContact O-CG 3.47Å; E11-R15 PolarHBondContact O-N 3.47Å; E11-R15 IonicContact OE1-CZ 2.81Å; E11-R15 IonicContact OE1-NE 3.97Å; E11-R15 PolarHBondContact OE1-NE 2.99Å; E11-R15 IonicContact OE1-NH2 2.74Å; E11-R15 PolarHBondContact OE1-NH2 3.06Å; E11-W100 HydrophobicContact CB-CD2 4.48Å; E11-W100 HydrophobicContact CB-CH2 4.08Å; E11-W100 HydrophobicContact CB-CZ2 3.7Å; E11-W100 VanDerWaalsContact CD-NE1 3.26Å; E11-W100 HydrophobicContact CG-CD2 4.08Å; E11-W100 HydrophobicContact CG-CG 4.33Å; E11-W100 HydrophobicContact CG-CZ2 3.87Å; E11-W100 PolarHBondContact OE1-NE1 3.27Å
12L94.4Very high87.2Confident121 Ų12166.5 Ų66.563%0.63436%0.359SS*.Hα-helixtrans-59-40.7-178.5-178.363.6000111.7A8 E9 R16A8-L12 VanDerWaalsContact O-CB 3.31Å; A8-L12 WeakPolarHBondContact O-CB 3.34Å; A8-L12 PolarHBondContact O-N 2.63Å; E9-L12 PolarHBondContact O-N 3.42Å; L12-R16 WeakPolarHBondContact O-CB 3.18Å; L12-R16 PolarHBondContact O-N 3.21Å
13R94.5Very high88.7Confident83 Ų8366 Ų6631%0.31337%0.366SS..Hα-helixtrans-59.4-50.1174.4-175.6-17074.7-130.14.6111.1E9 G10 E11 R16 L17 L192 L193E9-R13 WeakPolarHBondContact O-CB 3.25Å; E9-R13 PolarHBondContact O-N 3.5Å; G10-R13 PolarHBondContact O-N 2.88Å; E11-R13 VanDerWaalsContact C-N 3.27Å; E11-R13 PolarHBondContact O-N 3.46Å; R13-R16 PolarHBondContact O-N 3.26Å; R13-L17 HydrophobicContact CG-CD1 4.11Å; R13-L17 WeakPolarHBondContact O-CG 3.31Å; R13-L17 PolarHBondContact O-N 3.09Å; R13-L192 PolarHBondContact NH2-O 3.3Å; R13-L193 PolarHBondContact NH2-O 3.27Å
14C95.6Very high90.3Very high0 Ų073 Ų730%039%0.388CS..Hα-helixtrans-62-47.1-179.3-65.80000111.2G10 E11 R16 L17 L18 W100 L192G10-C14 PolarHBondContact O-N 3.36Å; G10-C14 PolarHBondContact O-SG 2.79Å; E11-C14 PolarHBondContact O-N 3.39Å; E11-C14 VanDerWaalsContact O-N 3.09Å; C14-R16 VanDerWaalsContact C-N 3.34Å; C14-R16 PolarHBondContact O-N 3.16Å; C14-L17 PolarHBondContact O-N 2.72Å; C14-L18 WeakPolarHBondContact O-CB 3.17Å; C14-L18 WeakPolarHBondContact O-CG 3.42Å; C14-L18 PolarHBondContact O-N 3.4Å; C14-W100 HydrophobicContact CB-CE3 3.77Å; C14-W100 HydrophobicContact CB-CZ3 4.27Å; C14-L192 HydrophobicContact CB-CD2 4.21Å; C14-L192 HydrophobicContact CB-CG 4.38Å
15R96.8Very high91.4Very high73 Ų7368.5 Ų68.528%0.27536%0.364SS..Hα-helixtrans-55.3-47.8175.6-73.8-179.6180-87.7-0.4112.1E11 L17 L18 A19 E97 V99 W100E11-R15 HydrophobicContact CG-CG 4.35Å; E11-R15 WeakPolarHBondContact O-CG 3.47Å; E11-R15 PolarHBondContact O-N 3.47Å; E11-R15 IonicContact OE1-CZ 2.81Å; E11-R15 IonicContact OE1-NE 3.97Å; E11-R15 PolarHBondContact OE1-NE 2.99Å; E11-R15 IonicContact OE1-NH2 2.74Å; E11-R15 PolarHBondContact OE1-NH2 3.06Å; R15-L17 PolarHBondContact O-N 2.98Å; R15-L18 PolarHBondContact O-N 3.39Å; R15-A19 WeakPolarHBondContact O-CB 3.27Å; R15-A19 PolarHBondContact O-N 3.15Å; R15-E97 PolarHBondContact NH2-O 3.02Å; R15-V99 PolarHBondContact NH1-O 3.47Å; R15-V99 PolarHBondContact NH2-O 3.49Å; R15-W100 WeakPolarHBondContact CA-O 3.45Å; R15-W100 HydrophobicContact CG-CB 4.2Å; R15-W100 HydrophobicContact CG-CG 4.5Å
16R96.9Very high92.5Very high214 Ų21472.1 Ų72.181%0.80838%0.377SS*.Hα-helixtrans-60.9-43178.3177.9178.4159-177.4-5.3112.2L12 R13 C14 L18L12-R16 WeakPolarHBondContact O-CB 3.18Å; L12-R16 PolarHBondContact O-N 3.21Å; R13-R16 PolarHBondContact O-N 3.26Å; C14-R16 VanDerWaalsContact C-N 3.34Å; C14-R16 PolarHBondContact O-N 3.16Å; R16-L18 VanDerWaalsContact C-N 3.35Å
17L96.7Very high93.1Very high111 Ų11173.8 Ų73.858%0.58140%0.398SS*.Hα-helixtrans-67.7-35.5178.7-70.7172.4000112.2R13 C14 R15 L192R13-L17 HydrophobicContact CG-CD1 4.11Å; R13-L17 WeakPolarHBondContact O-CG 3.31Å; R13-L17 PolarHBondContact O-N 3.09Å; C14-L17 PolarHBondContact O-N 2.72Å; R15-L17 PolarHBondContact O-N 2.98Å; L17-L192 HydrophobicContact CB-CD1 4.18Å; L17-L192 HydrophobicContact CD1-CD1 3.86Å
18L97.4Very high93.3Very high15 Ų1579.6 Ų79.68%0.07942%0.415CS..Hα-helixtrans-87.3-16.7-177.8-65-179.4000114.1C14 R15 R16 G20 A21 T22 L103 L118 L192C14-L18 WeakPolarHBondContact O-CB 3.17Å; C14-L18 WeakPolarHBondContact O-CG 3.42Å; C14-L18 PolarHBondContact O-N 3.4Å; R15-L18 PolarHBondContact O-N 3.39Å; R16-L18 VanDerWaalsContact C-N 3.35Å; L18-G20 PolarHBondContact O-N 3.27Å; L18-A21 PolarHBondContact O-N 2.89Å; L18-A21 VanDerWaalsContact O-N 3.12Å; L18-T22 VanDerWaalsContact O-CB 3.26Å; L18-T22 WeakPolarHBondContact O-CB 3.34Å; L18-T22 PolarHBondContact O-N 3.39Å; L18-T22 PolarHBondContact O-OG1 2.81Å; L18-L103 HydrophobicContact CD1-CD2 4.22Å; L18-L103 HydrophobicContact CD2-CD2 4.12Å; L18-L118 HydrophobicContact CD1-CD2 4.32Å; L18-L192 HydrophobicContact CD1-CD2 3.66Å; L18-L192 HydrophobicContact CD2-CD2 4.05Å; L18-L192 HydrophobicContact CG-CD2 3.95Å
19A96.3Very high93.3Very high56 Ų5681.6 Ų81.646%0.46342%0.421SS..Hα-helixtrans-51.3-49.7-171.900000113.5R15 A21 T22 A23R15-A19 WeakPolarHBondContact O-CB 3.27Å; R15-A19 PolarHBondContact O-N 3.15Å; A19-A21 PolarHBondContact O-N 2.64Å; A19-T22 PolarHBondContact O-N 3.06Å; A19-A23 PolarHBondContact O-N 3.02Å
20G94.8Very high93.4Very high40 Ų4075 Ų7541%0.41239%0.394SS..Hα-helixtrans-69.2-33.9-178.100000114L18 R24L18-G20 PolarHBondContact O-N 3.27Å; G20-R24 WeakPolarHBondContact O-CG 3.38Å; G20-R24 PolarHBondContact O-NE 3.01Å
21A92.6Very high93.7Very high40 Ų4077.7 Ų77.733%0.33141%0.413SS..Hα-helixtrans-73.6-42.8175.200000110.8L18 A19 A23 R24 L25L18-A21 PolarHBondContact O-N 2.89Å; L18-A21 VanDerWaalsContact O-N 3.12Å; A19-A21 PolarHBondContact O-N 2.64Å; A21-A23 PolarHBondContact O-N 2.86Å; A21-R24 PolarHBondContact O-N 2.88Å; A21-L25 WeakPolarHBondContact O-CB 3.4Å; A21-L25 VanDerWaalsContact O-CG 3.31Å; A21-L25 WeakPolarHBondContact O-CG 3.45Å; A21-L25 PolarHBondContact O-N 2.89Å
22T95.3Very high93.8Very high22 Ų2275.7 Ų75.714%0.13541%0.406CS..Hα-helixtrans-55.4-53.5178-630000111.4L18 A19 R24 L25 R26 G101 L102L18-T22 VanDerWaalsContact O-CB 3.26Å; L18-T22 WeakPolarHBondContact O-CB 3.34Å; L18-T22 PolarHBondContact O-N 3.39Å; L18-T22 PolarHBondContact O-OG1 2.81Å; A19-T22 PolarHBondContact O-N 3.06Å; T22-R24 PolarHBondContact O-N 2.95Å; T22-L25 PolarHBondContact O-N 2.91Å; T22-R26 HydrophobicContact CG2-CG 4.22Å; T22-R26 WeakPolarHBondContact O-CG 3.08Å; T22-R26 PolarHBondContact O-N 3.09Å; T22-G101 VanDerWaalsContact OG1-CA 3.24Å; T22-G101 WeakPolarHBondContact OG1-CA 3.37Å; T22-L102 HydrophobicContact CG2-CD1 3.82Å; T22-L102 PolarHBondContact OG1-N 3.41Å
23A93.8Very high93.9Very high68 Ų6870 Ų7056%0.56238%0.376SS*.Hα-helixtrans-56.5-38.3179.200000112.7A19 A21A19-A23 PolarHBondContact O-N 3.02Å; A21-A23 PolarHBondContact O-N 2.86Å
24R93.8Very high94.1Very high186 Ų18666.8 Ų66.870%0.70237%0.366SS*.Hα-helixtrans-74.4-39.7178.9-65.5177.9-140-170.2-0.1112.8G20 A21 T22 R28G20-R24 WeakPolarHBondContact O-CG 3.38Å; G20-R24 PolarHBondContact O-NE 3.01Å; A21-R24 PolarHBondContact O-N 2.88Å; T22-R24 PolarHBondContact O-N 2.95Å; R24-R28 WeakPolarHBondContact O-CG 3.36Å
25L93.6Very high94.3Very high19 Ų1966.8 Ų66.810%0.09937%0.366CS..Hα-helixtrans-78.4-33.9-174.2-69.5173.7000112.4A21 T22 A27 R28 L102 L103 P105A21-L25 WeakPolarHBondContact O-CB 3.4Å; A21-L25 VanDerWaalsContact O-CG 3.31Å; A21-L25 WeakPolarHBondContact O-CG 3.45Å; A21-L25 PolarHBondContact O-N 2.89Å; T22-L25 PolarHBondContact O-N 2.91Å; L25-A27 PolarHBondContact O-N 2.81Å; L25-R28 PolarHBondContact O-N 3.31Å; L25-R28 VanDerWaalsContact O-N 3.09Å; L25-L102 HydrophobicContact CB-CB 4.3Å; L25-L102 HydrophobicContact CB-CD2 3.44Å; L25-L102 VanDerWaalsContact CB-CD2 3.44Å; L25-L102 HydrophobicContact CD1-CB 3.84Å; L25-L102 HydrophobicContact CD1-CD2 4.46Å; L25-L103 WeakPolarHBondContact CD1-O 3.23Å; L25-P105 HydrophobicContact CD1-CG 4.05Å; L25-P105 HydrophobicContact CD2-CG 3.45Å; L25-P105 VanDerWaalsContact CD2-CG 3.45Å; L25-P105 HydrophobicContact CG-CG 4.4Å
26R93Very high94.4Very high79 Ų7963.3 Ų63.330%0.29835%0.353SS..Hα-helixtrans-58.8-33173-67.7-176.493.1163.411.6112.1T22 R28 D77 V79 E96 L102T22-R26 HydrophobicContact CG2-CG 4.22Å; T22-R26 WeakPolarHBondContact O-CG 3.08Å; T22-R26 PolarHBondContact O-N 3.09Å; R26-R28 VanDerWaalsContact C-N 3.34Å; R26-R28 PolarHBondContact O-N 2.88Å; R26-D77 IonicContact CZ-OD2 3.21Å; R26-D77 IonicContact NE-OD2 3.25Å; R26-D77 PolarHBondContact NE-OD2 3.43Å; R26-D77 IonicContact NH2-OD1 2.79Å; R26-D77 IonicContact NH2-OD2 3.93Å; R26-D77 PolarHBondContact NH2-OD2 2.89Å; R26-V79 HydrophobicContact CG-CG2 4.23Å; R26-E96 IonicContact CZ-OE1 3.1Å; R26-E96 VanDerWaalsContact CZ-OE1 3.25Å; R26-E96 IonicContact NH1-OE1 3.65Å; R26-E96 PolarHBondContact NH1-OE1 3.38Å; R26-E96 IonicContact NH2-OE1 3.15Å; R26-E96 PolarHBondContact NH2-OE1 3Å; R26-E96 IonicContact NH2-OE2 3.53Å; R26-L102 HydrophobicContact CG-CD1 4.34Å; R26-L102 HydrophobicContact CG-CD2 3.88Å
27A87Confident94.4Very high88 Ų8853.1 Ų53.173%0.72732%0.315SS*.THydrogen-bonded Turntrans-84.71178.900000114.6L25L25-A27 PolarHBondContact O-N 2.81Å
28R88.6Confident94.5Very high153 Ų15347.9 Ų47.958%0.57729%0.287SS*.SBendtrans-108.9142-175.7-76-179.472.8166.65.4111.6R24 L25 R26R24-R28 WeakPolarHBondContact O-CG 3.36Å; L25-R28 PolarHBondContact O-N 3.31Å; L25-R28 VanDerWaalsContact O-N 3.09Å; R26-R28 VanDerWaalsContact C-N 3.34Å; R26-R28 PolarHBondContact O-N 2.88Å
29P87.5Confident94.5Very high126 Ų12647.1 Ų47.182%0.81828%0.283SS*.  trans-65.4140.8171.727.9-33.4000110.4
30A91.4Very high94.4Very high22 Ų2245.3 Ų45.318%0.18227%0.267CS..  trans-133.2161172.300000109.7V78 V115A30-V78 HydrophobicContact CB-CG1 3.65Å; A30-V115 HydrophobicContact CB-CG2 3.64Å
31S94.2Very high94.5Very high57 Ų5744.7 Ų44.740%0.39926%0.255SS..SBendtrans-83.1-33.9175.4-52.10000111.3K70 C71 T113S31-K70 WeakPolarHBondContact O-CA 3.23Å; S31-C71 PolarHBondContact O-N 3.23Å; S31-C71 VanDerWaalsContact O-N 3.08Å; S31-T113 WeakPolarHBondContact CB-O 3.36Å; S31-T113 PolarHBondContact N-O 2.85Å; S31-T113 PolarHBondContact OG-N 2.8Å
32A95.6Very high94.6Very high17 Ų1753.9 Ų53.914%0.1428%0.281CS..EExtended strand (participates in β ladder)trans-154.2160.5-176.100000110.9G69 T113 V114 V115A32-G69 CarbonylContact C-O 3.53Å; A32-G69 WeakPolarHBondContact CA-O 3.39Å; A32-G69 WeakPolarHBondContact CB-O 3.3Å; A32-T113 PolarHBondContact N-O 2.88Å; A32-T113 VanDerWaalsContact N-O 3.13Å; A32-V114 HydrophobicContact CB-CG1 4.43Å; A32-V114 HydrophobicContact CB-CG2 4.27Å; A32-V114 WeakPolarHBondContact O-CA 3.34Å; A32-V115 PolarHBondContact O-N 2.84Å
33A97.6Very high94.4Very high0 Ų055.9 Ų55.90%031%0.306CS..EExtended strand (participates in β ladder)trans-136.7146.3171.300000110.5G68 G69 V78 T81 A82 V115A33-G68 WeakPolarHBondContact O-CA 3.33Å; A33-G69 PolarHBondContact N-O 3.28Å; A33-G69 PolarHBondContact O-N 3.44Å; A33-V78 HydrophobicContact CB-CB 4Å; A33-V78 WeakPolarHBondContact CB-O 3.11Å; A33-T81 HydrophobicContact CB-CG2 3.93Å; A33-A82 HydrophobicContact CB-CB 4.03Å; A33-V115 VanDerWaalsContact CA-O 3.27Å; A33-V115 WeakPolarHBondContact CA-O 3.46Å
34V98.4Very high94.5Very high17 Ų1755.7 Ų55.710%0.10330%0.298CS..EExtended strand (participates in β ladder)trans-129.4142.3177.9-60.40000110.4F66 P67 V114 V115 P116 V117 I185V34-F66 HydrophobicContact CB-CB 3.89Å; V34-F66 HydrophobicContact CG2-CB 4.06Å; V34-P67 CarbonylContact C-O 3.6Å; V34-P67 WeakPolarHBondContact CA-O 3.31Å; V34-V114 HydrophobicContact CG1-CG1 3.97Å; V34-V114 HydrophobicContact CG2-CG1 4.18Å; V34-V115 PolarHBondContact N-O 2.92Å; V34-P116 HydrophobicContact CG2-CB 4.11Å; V34-P116 CarbonylContact O-C 3.44Å; V34-P116 WeakPolarHBondContact O-CA 3.41Å; V34-V117 PolarHBondContact O-N 3.19Å; V34-I185 HydrophobicContact CG2-CD1 3.84Å
35L98.8Very high94.6Very high0 Ų048.1 Ų48.10%027%0.273CS..EExtended strand (participates in β ladder)trans-85.9127.8172.8-168.475.9000109.1P37 F66 P67 A82 L83 T86 V94 V117 A119L35-P37 HydrophobicContact CB-CG 4.47Å; L35-P37 HydrophobicContact CD2-CB 4.25Å; L35-P37 HydrophobicContact CD2-CG 4.07Å; L35-P37 HydrophobicContact CG-CG 4.18Å; L35-P37 WeakPolarHBondContact O-CD 3.34Å; L35-F66 WeakPolarHBondContact O-CB 3.49Å; L35-P67 HydrophobicContact CB-CG 4.3Å; L35-P67 PolarHBondContact N-O 2.85Å; L35-P67 WeakPolarHBondContact O-CD 3.23Å; L35-A82 HydrophobicContact CB-CB 4.32Å; L35-L83 HydrophobicContact CD1-CD2 3.95Å; L35-T86 VanDerWaalsContact CB-OG1 3.23Å; L35-T86 WeakPolarHBondContact CB-OG1 3.43Å; L35-T86 HydrophobicContact CD2-CG2 3.76Å; L35-V94 HydrophobicContact CD2-CB 4.48Å; L35-V94 HydrophobicContact CD2-CG2 3.94Å; L35-V117 CarbonylContact C-O 3.53Å; L35-V117 WeakPolarHBondContact CA-O 3.39Å; L35-V117 HydrophobicContact CD1-CB 4.26Å; L35-V117 HydrophobicContact CD1-CG1 4.1Å; L35-A119 HydrophobicContact CD1-CB 3.78Å
36V98.8Very high94.8Very high0 Ų047.2 Ų47.20%027%0.268CS..EExtended strand (participates in β ladder)trans-96.194.8169.5-177.80000106.9L38 L47 F66 L103 P116 V117 L118 A119 I185 A189V36-L38 PolarHBondContact O-N 3.42Å; V36-L47 HydrophobicContact CG1-CD2 4.02Å; V36-F66 HydrophobicContact CB-CE1 4.44Å; V36-F66 HydrophobicContact CG1-CE1 3.94Å; V36-F66 HydrophobicContact CG1-CZ 3.97Å; V36-F66 HydrophobicContact CG2-CD1 4.47Å; V36-F66 HydrophobicContact CG2-CD2 4.17Å; V36-F66 HydrophobicContact CG2-CE2 4.22Å; V36-F66 HydrophobicContact CG2-CG 4.31Å; V36-F66 HydrophobicContact CG2-CZ 4.38Å; V36-L103 HydrophobicContact CG2-CD1 4.17Å; V36-P116 HydrophobicContact CG2-CB 3.79Å; V36-V117 PolarHBondContact N-O 3.47Å; V36-L118 HydrophobicContact CB-CD1 4.22Å; V36-L118 HydrophobicContact CG1-CD1 3.95Å; V36-L118 WeakPolarHBondContact O-CD1 3.42Å; V36-A119 PolarHBondContact O-N 2.89Å; V36-I185 HydrophobicContact CG2-CG2 3.44Å; V36-I185 VanDerWaalsContact CG2-CG2 3.44Å; V36-A189 HydrophobicContact CG1-CB 4.1Å
37P98.3Very high95Very high0 Ų043.5 Ų43.50%025%0.254CS..EExtended strand (participates in β ladder)trans-89.6110.8-167.9-5.528.3000108.7L35 L47 L48 P67 V121L35-P37 HydrophobicContact CB-CG 4.47Å; L35-P37 HydrophobicContact CD2-CB 4.25Å; L35-P37 HydrophobicContact CD2-CG 4.07Å; L35-P37 HydrophobicContact CG-CG 4.18Å; L35-P37 WeakPolarHBondContact O-CD 3.34Å; P37-L47 WeakPolarHBondContact O-CA 3.44Å; P37-L48 HydrophobicContact CB-CB 3.93Å; P37-L48 HydrophobicContact CB-CD2 4.49Å; P37-L48 WeakPolarHBondContact CD-O 3.44Å; P37-L48 HydrophobicContact CG-CB 3.95Å; P37-L48 HydrophobicContact CG-CD2 4.42Å; P37-L48 PolarHBondContact O-N 2.91Å; P37-L48 VanDerWaalsContact O-N 3.1Å; P37-P67 HydrophobicContact CG-CG 3.85Å; P37-V121 HydrophobicContact CB-CG1 3.89Å; P37-V121 HydrophobicContact CB-CG2 4.38Å
38L97.9Very high95.6Very high0 Ų039.3 Ų39.30%022%0.219CC..EExtended strand (participates in β ladder)trans-89.9110173.2179.264.8000109L6 V36 L47 W100 L118 A119 G120 V121 L144 L193L6-L38 HydrophobicContact CD2-CD1 4.42Å; L6-L38 HydrophobicContact CD2-CD2 3.82Å; L6-L38 HydrophobicContact CD2-CG 3.7Å; V36-L38 PolarHBondContact O-N 3.42Å; L38-L47 HydrophobicContact CB-CD2 4.23Å; L38-L47 HydrophobicContact CD1-CD2 4.02Å; L38-W100 HydrophobicContact CD2-CH2 3.43Å; L38-W100 VanDerWaalsContact CD2-CH2 3.43Å; L38-W100 HydrophobicContact CD2-CZ2 4.28Å; L38-W100 HydrophobicContact CD2-CZ3 3.57Å; L38-L118 HydrophobicContact CB-CD1 4.27Å; L38-A119 PolarHBondContact N-O 3.17Å; L38-G120 CarbonylContact O-C 3.52Å; L38-G120 WeakPolarHBondContact O-CA 3.37Å; L38-V121 PolarHBondContact O-N 3.49Å; L38-L144 HydrophobicContact CD1-CD1 4.05Å; L38-L144 HydrophobicContact CD1-CG 4.46Å; L38-L193 HydrophobicContact CD1-CD1 4.04Å; L38-L193 HydrophobicContact CD2-CD1 4.14Å; L38-L193 HydrophobicContact CD2-CD2 3.66Å
39C96.5Very high96.1Very high0 Ų032 Ų320%019%0.192CC..EExtended strand (participates in β ladder)trans-119.7170.3-173.666.90000112P45 A46 V121 G122 L124C39-P45 WeakPolarHBondContact O-CA 3.21Å; C39-A46 PolarHBondContact N-O 3.17Å; C39-A46 PolarHBondContact O-N 3.29Å; C39-A46 PolarHBondContact SG-O 3.4Å; C39-V121 HydrophobicContact CB-CG2 3.26Å; C39-G122 CarbonylContact C-O 3.6Å; C39-G122 WeakPolarHBondContact CA-O 3.43Å; C39-L124 HydrophobicContact CB-CB 3.95Å; C39-L124 HydrophobicContact CB-CD2 4.2Å
40S95.9Very high96.6Very high18 Ų1826 Ų2613%0.12615%0.153CC..EExtended strand (participates in β ladder)trans-115.9112166.9-174.60000110G43 V44 G122 P123 L124S40-G43 VanDerWaalsContact OG-C 3.24Å; S40-G43 WeakPolarHBondContact OG-CA 3.4Å; S40-G43 PolarHBondContact OG-N 3.38Å; S40-V44 CarbonylContact C-O 3.59Å; S40-V44 WeakPolarHBondContact CA-O 3.4Å; S40-G122 PolarHBondContact N-O 3.22Å; S40-P123 VanDerWaalsContact O-CA 3.31Å; S40-P123 WeakPolarHBondContact O-CA 3.33Å; S40-L124 PolarHBondContact O-N 2.72Å
41V95.8Very high96.8Very high26 Ų2626.1 Ų26.116%0.15815%0.15CC..EExtended strand (participates in β ladder)trans-99109.4176-1770000107.8G43 V44 A46 P126 A141V41-G43 PolarHBondContact O-N 3.11Å; V41-V44 PolarHBondContact N-O 3.17Å; V41-V44 WeakPolarHBondContact O-CB 3.35Å; V41-V44 PolarHBondContact O-N 3.02Å; V41-A46 HydrophobicContact CG2-CB 4.26Å; V41-P126 HydrophobicContact CG2-CG 4.31Å; V41-A141 HydrophobicContact CG2-CB 3.79Å
42R94.4Very high96.7Very high234 Ų23426.5 Ų26.588%0.88314%0.143SC*.THydrogen-bonded Turntrans52.441.3-176.2-51.3178.6-142.1167.25.7112.7V44R42-V44 VanDerWaalsContact C-N 3.3Å; R42-V44 PolarHBondContact O-N 2.94Å
43G92.6Very high96.4Very high63 Ų6325.7 Ų25.765%0.64914%0.136SC*.THydrogen-bonded Turntrans83.6-1.5-179.200000114.9S40 V41S40-G43 VanDerWaalsContact OG-C 3.24Å; S40-G43 WeakPolarHBondContact OG-CA 3.4Å; S40-G43 PolarHBondContact OG-N 3.38Å; V41-G43 PolarHBondContact O-N 3.11Å
44V94.8Very high95.7Very high65 Ų6529.1 Ų29.139%0.39416%0.161SC..EExtended strand (participates in β ladder)trans-101.5124.3-179.1-176.50000110.3S40 V41 R42 A46 P143S40-V44 CarbonylContact C-O 3.59Å; S40-V44 WeakPolarHBondContact CA-O 3.4Å; V41-V44 PolarHBondContact N-O 3.17Å; V41-V44 WeakPolarHBondContact O-CB 3.35Å; V41-V44 PolarHBondContact O-N 3.02Å; R42-V44 VanDerWaalsContact C-N 3.3Å; R42-V44 PolarHBondContact O-N 2.94Å; V44-A46 PolarHBondContact O-N 3.36Å; V44-P143 HydrophobicContact CG1-CB 3.96Å; V44-P143 HydrophobicContact CG1-CG 4.46Å
45P95.9Very high94.9Very high26 Ų2635.5 Ų35.517%0.16918%0.183CC..EExtended strand (participates in β ladder)trans-65131.2177.325.9-33.8000111.2L6 C39 P143 L144L6-P45 HydrophobicContact CD1-CB 3.68Å; L6-P45 HydrophobicContact CG-CB 4.1Å; C39-P45 WeakPolarHBondContact O-CA 3.21Å; P45-P143 CarbonylContact O-C 3.59Å; P45-P143 WeakPolarHBondContact O-CA 3.14Å; P45-L144 HydrophobicContact CB-CD1 3.98Å; P45-L144 HydrophobicContact CB-CG 4.22Å; P45-L144 HydrophobicContact CG-CD1 4.48Å; P45-L144 PolarHBondContact O-N 2.84Å
46A97.5Very high94Very high1 Ų137.4 Ų37.41%0.00819%0.193CC..EExtended strand (participates in β ladder)trans-148156.9-175.900000112.1C39 V41 V44 A141 L142C39-A46 PolarHBondContact N-O 3.17Å; C39-A46 PolarHBondContact O-N 3.29Å; C39-A46 PolarHBondContact SG-O 3.4Å; V41-A46 HydrophobicContact CG2-CB 4.26Å; V44-A46 PolarHBondContact O-N 3.36Å; A46-A141 HydrophobicContact CB-CB 3.99Å; A46-L142 CarbonylContact C-O 3.57Å; A46-L142 VanDerWaalsContact CA-O 3.23Å; A46-L142 WeakPolarHBondContact CA-O 3.36Å; A46-L142 WeakPolarHBondContact CB-O 3.32Å
47L98.4Very high92.8Very high0 Ų044 Ų440%023%0.233CC..EExtended strand (participates in β ladder)trans-97.8134166.6-66-179.4000109.4V36 P37 L38 Y49 F66 A141 L142 L144 L147 T186 A189 L193V36-L47 HydrophobicContact CG1-CD2 4.02Å; P37-L47 WeakPolarHBondContact O-CA 3.44Å; L38-L47 HydrophobicContact CB-CD2 4.23Å; L38-L47 HydrophobicContact CD1-CD2 4.02Å; L47-Y49 HydrophobicContact CB-CE2 3.59Å; L47-Y49 WeakPolarHBondContact CD1-OH 3.29Å; L47-Y49 VanDerWaalsContact O-CD2 3.25Å; L47-Y49 WeakPolarHBondContact O-CD2 3.46Å; L47-Y49 WeakPolarHBondContact O-CE2 3.39Å; L47-F66 HydrophobicContact CB-CE1 4.48Å; L47-F66 HydrophobicContact CD1-CZ 4.39Å; L47-A141 CarbonylContact O-C 3.59Å; L47-A141 VanDerWaalsContact O-CA 3.28Å; L47-A141 WeakPolarHBondContact O-CA 3.32Å; L47-L142 PolarHBondContact N-O 3.15Å; L47-L142 PolarHBondContact O-N 2.93Å; L47-L144 HydrophobicContact CD1-CD2 4.37Å; L47-L144 HydrophobicContact CG-CD2 3.92Å; L47-L147 HydrophobicContact CB-CD1 4.45Å; L47-L147 HydrophobicContact CD1-CD1 3.98Å; L47-L147 HydrophobicContact CG-CD1 4.33Å; L47-T186 HydrophobicContact CD1-CG2 4.32Å; L47-A189 HydrophobicContact CD1-CB 4.26Å; L47-L193 HydrophobicContact CD2-CD1 4.41Å
48L98.4Very high91.4Very high0 Ų046.6 Ų46.60%026%0.26CS..EExtended strand (participates in β ladder)trans-86.4138.4175.8-166.876.8000110.6P37 F66 L90 L92 L124 P126 L129 V139 A141P37-L48 HydrophobicContact CB-CB 3.93Å; P37-L48 HydrophobicContact CB-CD2 4.49Å; P37-L48 WeakPolarHBondContact CD-O 3.44Å; P37-L48 HydrophobicContact CG-CB 3.95Å; P37-L48 HydrophobicContact CG-CD2 4.42Å; P37-L48 PolarHBondContact O-N 2.91Å; P37-L48 VanDerWaalsContact O-N 3.1Å; L48-F66 WeakPolarHBondContact O-CD1 3.48Å; L48-L90 HydrophobicContact CD2-CD1 3.86Å; L48-L92 HydrophobicContact CD2-CD2 4.29Å; L48-L124 HydrophobicContact CD1-CD2 3.98Å; L48-L124 HydrophobicContact CD2-CD2 3.84Å; L48-L124 HydrophobicContact CG-CD2 4.43Å; L48-P126 HydrophobicContact CD1-CB 4.28Å; L48-P126 HydrophobicContact CD1-CG 4.04Å; L48-L129 HydrophobicContact CD1-CD1 4.46Å; L48-L129 HydrophobicContact CD2-CD1 3.99Å; L48-V139 HydrophobicContact CD1-CG1 3.74Å; L48-V139 HydrophobicContact CD2-CG1 4.16Å; L48-V139 HydrophobicContact CG-CG1 3.95Å; L48-A141 HydrophobicContact CD1-CB 4.24Å
49Y98.6Very high89.9Confident0 Ų056.9 Ų56.90%030%0.299CS..EExtended strand (participates in β ladder)trans-133.3159179.3-60.7-89.1000110.9L47 V64 S65 F66 V139 F140 L142 V178 T182 T186L47-Y49 HydrophobicContact CB-CE2 3.59Å; L47-Y49 WeakPolarHBondContact CD1-OH 3.29Å; L47-Y49 VanDerWaalsContact O-CD2 3.25Å; L47-Y49 WeakPolarHBondContact O-CD2 3.46Å; L47-Y49 WeakPolarHBondContact O-CE2 3.39Å; Y49-V64 HydrophobicContact CD1-CG1 3.77Å; Y49-V64 HydrophobicContact CG-CG1 4.04Å; Y49-S65 WeakPolarHBondContact CA-O 3.45Å; Y49-F66 HydrophobicContact CD1-CD1 4.14Å; Y49-F66 AromaticContact CD1-CE1 3.82Å; Y49-F66 HydrophobicContact CD1-CE1 3.82Å; Y49-F66 HydrophobicContact CD1-CZ 4.14Å; Y49-F66 HydrophobicContact CE1-CD1 4.17Å; Y49-F66 AromaticContact CE1-CE1 3.42Å; Y49-F66 HydrophobicContact CE1-CE1 3.42Å; Y49-F66 VanDerWaalsContact CE1-CE1 3.42Å; Y49-F66 HydrophobicContact CE1-CE2 4.08Å; Y49-F66 AromaticContact CE1-CZ 3.37Å; Y49-F66 HydrophobicContact CE1-CZ 3.37Å; Y49-F66 AromaticContact CZ-CE1 3.9Å; Y49-F66 AromaticContact CZ-CZ 3.89Å; Y49-V139 WeakPolarHBondContact O-CA 3.24Å; Y49-F140 HydrophobicContact CD2-CE2 4.09Å; Y49-F140 HydrophobicContact CG-CE2 4.24Å; Y49-F140 HydrophobicContact CG-CZ 4.22Å; Y49-F140 PolarHBondContact N-O 3.1Å; Y49-F140 PolarHBondContact O-N 3.23Å; Y49-L142 HydrophobicContact CD2-CB 4.41Å; Y49-L142 HydrophobicContact CD2-CD1 4.33Å; Y49-L142 HydrophobicContact CD2-CG 4.33Å; Y49-L142 HydrophobicContact CE2-CB 3.89Å; Y49-L142 HydrophobicContact CE2-CD1 3.97Å; Y49-L142 HydrophobicContact CE2-CG 4.14Å; Y49-V178 HydrophobicContact CE1-CG1 4.14Å; Y49-T182 HydrophobicContact CD1-CG2 3.99Å; Y49-T182 HydrophobicContact CE1-CG2 3.97Å; Y49-T186 WeakPolarHBondContact OH-CG2 3.14Å; Y49-T186 PolarHBondContact OH-OG1 3.08Å
50T97.9Very high88.6Confident1 Ų161.8 Ų61.81%0.00632%0.321CS..EExtended strand (participates in β ladder)trans-114.6144.9171.562.60000110V64 S65 P67 L90 V136 E138T50-V64 CarbonylContact O-C 3.46Å; T50-V64 WeakPolarHBondContact O-CA 3.44Å; T50-S65 PolarHBondContact N-O 2.97Å; T50-S65 PolarHBondContact O-N 3.14Å; T50-S65 PolarHBondContact OG1-O 2.67Å; T50-S65 PolarHBondContact OG1-OG 2.91Å; T50-P67 HydrophobicContact CG2-CB 4.16Å; T50-L90 HydrophobicContact CG2-CD1 4.23Å; T50-L90 HydrophobicContact CG2-CD2 3.7Å; T50-L90 HydrophobicContact CG2-CG 4.4Å; T50-V136 HydrophobicContact CG2-CG1 4.25Å; T50-V136 HydrophobicContact CG2-CG2 4.31Å; T50-E138 CarbonylContact C-O 3.56Å; T50-E138 WeakPolarHBondContact CA-O 3.39Å
51L96.3Very high87.8Confident23 Ų2365.4 Ų65.412%0.1234%0.335CS..EExtended strand (participates in β ladder)trans-96114.9161.9-173.571.9000107.5G62 V64 D137 E138L51-G62 VanDerWaalsContact CD1-O 3.29Å; L51-G62 WeakPolarHBondContact CD1-O 3.46Å; L51-V64 HydrophobicContact CD1-CG2 4.33Å; L51-D137 HydrophobicContact CD2-CB 4.33Å; L51-D137 PolarHBondContact O-N 3.34Å; L51-E138 HydrophobicContact CB-CB 3.79Å; L51-E138 HydrophobicContact CD2-CB 4.21Å; L51-E138 PolarHBondContact N-O 3.45Å
52R92.9Very high87.3Confident65 Ų6566 Ų6625%0.24535%0.346CS..EExtended strand (participates in β ladder)trans-63.1138-178.6-66.3-176.764.375.21.5111S54 L56 H60 G62 D63 S65R52-S54 PolarHBondContact O-N 2.68Å; R52-L56 HydrophobicContact CB-CD1 4.14Å; R52-H60 WeakPolarHBondContact CB-O 3.44Å; R52-H60 WeakPolarHBondContact CD-O 3.22Å; R52-H60 PolarHBondContact NE-O 3.38Å; R52-G62 WeakPolarHBondContact O-CA 3.28Å; R52-G62 PolarHBondContact O-N 3.22Å; R52-D63 WeakPolarHBondContact CG-O 3.25Å; R52-D63 PolarHBondContact N-O 2.81Å; R52-S65 WeakPolarHBondContact CG-OG 3.28Å
53S89.1Confident87.1Confident0 Ų056.3 Ų56.30%031%0.312CS..  trans-59137.1-175.8-175.90000112.7R55 L56 S133 E135 D137S53-R55 PolarHBondContact O-N 2.97Å; S53-R55 WeakPolarHBondContact OG-CB 3.26Å; S53-R55 PolarHBondContact OG-N 3.1Å; S53-R55 VanDerWaalsContact OG-N 3.12Å; S53-L56 WeakPolarHBondContact O-CB 3.45Å; S53-L56 PolarHBondContact O-N 3.17Å; S53-S133 PolarHBondContact OG-O 2.8Å; S53-E135 PolarHBondContact N-O 3.4Å; S53-D137 VanDerWaalsContact CA-OD1 3.32Å; S53-D137 WeakPolarHBondContact CA-OD1 3.17Å; S53-D137 WeakPolarHBondContact CA-OD2 3.24Å; S53-D137 VanDerWaalsContact CB-OD1 3.24Å; S53-D137 WeakPolarHBondContact CB-OD1 3.33Å; S53-D137 PolarHBondContact OG-OD1 2.92Å
54S82.2Confident87.3Confident73 Ų7353.5 Ų53.551%0.5128%0.282SS..THydrogen-bonded Turntrans-60.3-20.9169.252.90000113.1R52 K61 D137R52-S54 PolarHBondContact O-N 2.68Å; S54-K61 PolarHBondContact O-NZ 2.8Å; S54-D137 WeakPolarHBondContact CB-OD2 3.41Å; S54-D137 PolarHBondContact N-OD2 3.23Å; S54-D137 PolarHBondContact OG-OD2 2.96Å
55R81.8Confident87.4Confident151 Ų15151 Ų5157%0.5727%0.268SS*.THydrogen-bonded Turntrans-73.5-33.4179.2-60.6177.4-174.9-171.13.4113S53 E134S53-R55 PolarHBondContact O-N 2.97Å; S53-R55 WeakPolarHBondContact OG-CB 3.26Å; S53-R55 PolarHBondContact OG-N 3.1Å; S53-R55 VanDerWaalsContact OG-N 3.12Å; R55-E134 IonicContact CZ-OE1 3.89Å; R55-E134 IonicContact NH1-OE1 3.24Å; R55-E134 PolarHBondContact NH1-OE1 3.24Å
56L80.6Confident87.5Confident39 Ų3950 Ų5020%0.20426%0.261CS..SBendtrans-53.3140.8-179.4-72.6169.6000111.7R52 S53 K61 E135R52-L56 HydrophobicContact CB-CD1 4.14Å; S53-L56 WeakPolarHBondContact O-CB 3.45Å; S53-L56 PolarHBondContact O-N 3.17Å; L56-K61 WeakPolarHBondContact O-CD 3.37Å; L56-K61 WeakPolarHBondContact O-CE 3.29Å; L56-K61 WeakPolarHBondContact O-CG 3.28Å; L56-K61 PolarHBondContact O-NZ 3.4Å; L56-E135 HydrophobicContact CD2-CG 4.34Å
57T72.4Confident87.5Confident138 Ų13850 Ų5085%0.84726%0.26SS*.  trans-84.4133.8173.555.20000111
58G69.7Low87.4Confident55 Ų5550.3 Ų50.357%0.56726%0.263SS*.SBendtrans135.3-166.7172.900000114.8
59R65.4Low87.3Confident217 Ų21751.1 Ų51.182%0.81927%0.272SS*.THydrogen-bonded Turntrans-84.9-11.4-173.4-69.4-177.6178.6169.11114.7
60H70.2Confident87.1Confident102 Ų10259.2 Ų59.247%0.47231%0.307SS..THydrogen-bonded Turntrans-110.323.4-172-57.5-60.7000113.3R52 D63R52-H60 WeakPolarHBondContact CB-O 3.44Å; R52-H60 WeakPolarHBondContact CD-O 3.22Å; R52-H60 PolarHBondContact NE-O 3.38Å; H60-D63 WeakPolarHBondContact CA-OD2 3.46Å; H60-D63 IonicContact CG-OD2 2.68Å; H60-D63 IonicContact ND1-OD2 3.52Å; H60-D63 PolarHBondContact ND1-OD2 3.2Å; H60-D63 PolarHBondContact O-N 2.87Å
61K78.9Confident87Confident95 Ų9561 Ų6141%0.41332%0.32SS..THydrogen-bonded Turntrans-68.2131.7175.7-62.5-179.1-172.8-115.10109.4S54 L56 D63S54-K61 PolarHBondContact O-NZ 2.8Å; L56-K61 WeakPolarHBondContact O-CD 3.37Å; L56-K61 WeakPolarHBondContact O-CE 3.29Å; L56-K61 WeakPolarHBondContact O-CG 3.28Å; L56-K61 PolarHBondContact O-NZ 3.4Å; K61-D63 PolarHBondContact O-N 2.98Å
62G84.6Confident86.9Confident38 Ų3864 Ų6439%0.39234%0.335SS..THydrogen-bonded Turntrans68.511.2179.800000114.4L51 R52L51-G62 VanDerWaalsContact CD1-O 3.29Å; L51-G62 WeakPolarHBondContact CD1-O 3.46Å; R52-G62 WeakPolarHBondContact O-CA 3.28Å; R52-G62 PolarHBondContact O-N 3.22Å
63D91.1Very high87Confident30 Ų3067.2 Ų67.216%0.1637%0.365CS..  trans-79144.7171.6-79.8-18.3000110.2R52 H60 K61 W179R52-D63 WeakPolarHBondContact CG-O 3.25Å; R52-D63 PolarHBondContact N-O 2.81Å; H60-D63 WeakPolarHBondContact CA-OD2 3.46Å; H60-D63 IonicContact CG-OD2 2.68Å; H60-D63 IonicContact ND1-OD2 3.52Å; H60-D63 PolarHBondContact ND1-OD2 3.2Å; H60-D63 PolarHBondContact O-N 2.87Å; K61-D63 PolarHBondContact O-N 2.98Å; D63-W179 WeakPolarHBondContact OD1-CZ2 3.3Å; D63-W179 PolarHBondContact OD1-NE1 3.46Å
64V96.9Very high87.2Confident4 Ų471 Ų712%0.02440%0.396CS..EExtended strand (participates in β ladder)trans-73.9128.9167.8179.70000109.3Y49 T50 L51 F140 H176 R177 V178 T182Y49-V64 HydrophobicContact CD1-CG1 3.77Å; Y49-V64 HydrophobicContact CG-CG1 4.04Å; T50-V64 CarbonylContact O-C 3.46Å; T50-V64 WeakPolarHBondContact O-CA 3.44Å; L51-V64 HydrophobicContact CD1-CG2 4.33Å; V64-F140 HydrophobicContact CB-CZ 4.46Å; V64-F140 HydrophobicContact CG1-CE1 4.18Å; V64-F140 HydrophobicContact CG1-CZ 3.67Å; V64-F140 HydrophobicContact CG2-CE1 4.25Å; V64-F140 HydrophobicContact CG2-CZ 3.89Å; V64-H176 HydrophobicContact CG2-CB 3.33Å; V64-R177 WeakPolarHBondContact CG2-O 3.41Å; V64-V178 HydrophobicContact CG1-CG1 4.42Å; V64-V178 HydrophobicContact CG1-CG2 4.17Å; V64-T182 HydrophobicContact CG1-CG2 4.37Å; V64-T182 WeakPolarHBondContact O-CB 3.35Å; V64-T182 PolarHBondContact O-OG1 3.44Å
65S96.8Very high87.8Confident14 Ų1468.4 Ų68.410%0.09838%0.377CS..EExtended strand (participates in β ladder)trans-131.4163.7175.449.60000112.2Y49 T50 R52Y49-S65 WeakPolarHBondContact CA-O 3.45Å; T50-S65 PolarHBondContact N-O 2.97Å; T50-S65 PolarHBondContact O-N 3.14Å; T50-S65 PolarHBondContact OG1-O 2.67Å; T50-S65 PolarHBondContact OG1-OG 2.91Å; R52-S65 WeakPolarHBondContact CG-OG 3.28Å
66F98.4Very high88.5Confident5 Ų569 Ų692%0.02239%0.386CS..  trans-77.7150155.4-75.8-60.8000109.1V34 L35 V36 L47 L48 Y49 T182 I185V34-F66 HydrophobicContact CB-CB 3.89Å; V34-F66 HydrophobicContact CG2-CB 4.06Å; L35-F66 WeakPolarHBondContact O-CB 3.49Å; V36-F66 HydrophobicContact CB-CE1 4.44Å; V36-F66 HydrophobicContact CG1-CE1 3.94Å; V36-F66 HydrophobicContact CG1-CZ 3.97Å; V36-F66 HydrophobicContact CG2-CD1 4.47Å; V36-F66 HydrophobicContact CG2-CD2 4.17Å; V36-F66 HydrophobicContact CG2-CE2 4.22Å; V36-F66 HydrophobicContact CG2-CG 4.31Å; V36-F66 HydrophobicContact CG2-CZ 4.38Å; L47-F66 HydrophobicContact CB-CE1 4.48Å; L47-F66 HydrophobicContact CD1-CZ 4.39Å; L48-F66 WeakPolarHBondContact O-CD1 3.48Å; Y49-F66 HydrophobicContact CD1-CD1 4.14Å; Y49-F66 AromaticContact CD1-CE1 3.82Å; Y49-F66 HydrophobicContact CD1-CE1 3.82Å; Y49-F66 HydrophobicContact CD1-CZ 4.14Å; Y49-F66 HydrophobicContact CE1-CD1 4.17Å; Y49-F66 AromaticContact CE1-CE1 3.42Å; Y49-F66 HydrophobicContact CE1-CE1 3.42Å; Y49-F66 VanDerWaalsContact CE1-CE1 3.42Å; Y49-F66 HydrophobicContact CE1-CE2 4.08Å; Y49-F66 AromaticContact CE1-CZ 3.37Å; Y49-F66 HydrophobicContact CE1-CZ 3.37Å; Y49-F66 AromaticContact CZ-CE1 3.9Å; Y49-F66 AromaticContact CZ-CZ 3.89Å; F66-T182 HydrophobicContact CD2-CG2 3.9Å; F66-T182 HydrophobicContact CE2-CG2 3.93Å; F66-I185 HydrophobicContact CD2-CB 4.11Å; F66-I185 HydrophobicContact CD2-CD1 4.39Å; F66-I185 HydrophobicContact CD2-CG2 3.69Å; F66-I185 HydrophobicContact CE2-CB 3.78Å; F66-I185 HydrophobicContact CE2-CG2 3.41Å; F66-I185 VanDerWaalsContact CE2-CG2 3.41Å; F66-I185 HydrophobicContact CZ-CG2 4.35Å
67P97.8Very high89.2Confident0 Ų068.7 Ų68.70%038%0.384CS..SBendtrans-62.1139.7174.426.5-33.4000110.7V34 L35 P37 T50 T86 E89 L90V34-P67 CarbonylContact C-O 3.6Å; V34-P67 WeakPolarHBondContact CA-O 3.31Å; L35-P67 HydrophobicContact CB-CG 4.3Å; L35-P67 PolarHBondContact N-O 2.85Å; L35-P67 WeakPolarHBondContact O-CD 3.23Å; P37-P67 HydrophobicContact CG-CG 3.85Å; T50-P67 HydrophobicContact CG2-CB 4.16Å; P67-T86 HydrophobicContact CB-CG2 4.24Å; P67-T86 HydrophobicContact CG-CG2 4.19Å; P67-E89 WeakPolarHBondContact CA-OE2 3.22Å; P67-E89 WeakPolarHBondContact CB-OE2 3.14Å; P67-L90 HydrophobicContact CB-CD1 3.79Å; P67-L90 HydrophobicContact CB-CG 4.21Å; P67-L90 HydrophobicContact CG-CD1 3.93Å
68G96.7Very high90.4Very high6 Ų662.3 Ų62.36%0.06235%0.345CS..EExtended strand (participates in β ladder)trans145.2170.8-175.400000114.8A33 E89A33-G68 WeakPolarHBondContact O-CA 3.33Å; G68-E89 PolarHBondContact N-OE2 3.23Å
69G94.7Very high91.8Very high18 Ų1859.7 Ų59.719%0.18632%0.318CS..EExtended strand (participates in β ladder)trans-163.7-158.6-170.800000113.5A32 A33 E85A32-G69 CarbonylContact C-O 3.53Å; A32-G69 WeakPolarHBondContact CA-O 3.39Å; A32-G69 WeakPolarHBondContact CB-O 3.3Å; A33-G69 PolarHBondContact N-O 3.28Å; A33-G69 PolarHBondContact O-N 3.44Å; G69-E85 WeakPolarHBondContact CA-OE2 3.39Å
70K95.5Very high93.3Very high169 Ų16952.4 Ų52.474%0.73529%0.294SS*.EExtended strand (participates in β ladder)trans-74.1146.3-174.8-70.4179.7-179.3173.60110.4S31 D72 T81 R84S31-K70 WeakPolarHBondContact O-CA 3.23Å; K70-D72 PolarHBondContact O-N 3.07Å; K70-T81 WeakPolarHBondContact O-CG2 3.45Å; K70-R84 PolarHBondContact O-NH2 3.37Å
71C96.1Very high94.7Very high40 Ų4047.6 Ų47.627%0.2727%0.271SS..PPolyproline II helixtrans-69.5130.8170.3-60.40000109.7S31 T81S31-C71 PolarHBondContact O-N 3.23Å; S31-C71 VanDerWaalsContact O-N 3.08Å; C71-T81 HydrophobicContact CB-CG2 4.41Å
72D94.3Very high95.6Very high84 Ų8443.1 Ų43.145%0.44925%0.252SS..PPolyproline II helixtrans-96.2144.8172.7-169-73.7000109.8K70 A74 D75K70-D72 PolarHBondContact O-N 3.07Å; D72-A74 PolarHBondContact O-N 3.19Å; D72-A74 VanDerWaalsContact O-N 3.09Å; D72-A74 VanDerWaalsContact OD1-CB 3.3Å; D72-A74 WeakPolarHBondContact OD1-CB 3.45Å; D72-A74 PolarHBondContact OD1-N 3.49Å; D72-D75 PolarHBondContact N-OD2 2.81Å; D72-D75 VanDerWaalsContact O-CB 3.29Å; D72-D75 WeakPolarHBondContact O-CB 3.49Å; D72-D75 PolarHBondContact O-N 3.43Å
73P93.1Very high96.3Very high133 Ų13342.5 Ų42.586%0.86424%0.239SC*.THydrogen-bonded Turntrans-54.4-22.8172.8-27.435.8000115.5D75P73-D75 VanDerWaalsContact C-N 3.34Å
74A93.7Very high96.6Very high79 Ų7943.4 Ų43.465%0.65324%0.24SC*.THydrogen-bonded Turntrans-80.2-12.9174.400000113.5D72D72-A74 PolarHBondContact O-N 3.19Å; D72-A74 VanDerWaalsContact O-N 3.09Å; D72-A74 VanDerWaalsContact OD1-CB 3.3Å; D72-A74 WeakPolarHBondContact OD1-CB 3.45Å; D72-A74 PolarHBondContact OD1-N 3.49Å
75D95.9Very high96.7Very high20 Ų2044.3 Ų44.311%0.10725%0.245CC..  trans-71.2130.5177.2-69-40.5000110.9D72 P73 D77 H80 T81 R84D72-D75 PolarHBondContact N-OD2 2.81Å; D72-D75 VanDerWaalsContact O-CB 3.29Å; D72-D75 WeakPolarHBondContact O-CB 3.49Å; D72-D75 PolarHBondContact O-N 3.43Å; P73-D75 VanDerWaalsContact C-N 3.34Å; D75-D77 VanDerWaalsContact C-N 3.31Å; D75-D77 PolarHBondContact O-N 3.5Å; D75-H80 HydrophobicContact CB-CB 4.47Å; D75-H80 IonicContact OD1-CE1 2.67Å; D75-H80 IonicContact OD1-CG 3.13Å; D75-H80 IonicContact OD1-ND1 2.91Å; D75-H80 PolarHBondContact OD1-ND1 3.35Å; D75-T81 WeakPolarHBondContact CB-OG1 3.26Å; D75-T81 WeakPolarHBondContact OD2-CB 3.35Å; D75-T81 PolarHBondContact OD2-OG1 3.12Å; D75-R84 IonicContact OD1-CZ 2.74Å; D75-R84 IonicContact OD1-NE 2.81Å; D75-R84 PolarHBondContact OD1-NE 3.07Å; D75-R84 IonicContact OD1-NH2 3.55Å; D75-R84 IonicContact OD2-CZ 3.79Å; D75-R84 IonicContact OD2-NE 3.73Å; D75-R84 IonicContact OD2-NH2 3.75Å; D75-R84 PolarHBondContact OD2-NH2 3.24Å
76Q95.3Very high96.7Very high164 Ų16443.7 Ų43.777%0.76624%0.24SC*.SBendtrans-65.4-37.8179.8-64.7176.46100111.9H80Q76-H80 HydrophobicContact CB-CB 4.26Å
77D96.6Very high96.7Very high31 Ų3149 Ų4917%0.16627%0.265CS..SBendtrans-163-177.2174.663.821.3000110.6R26 D75 V79 H80 T81R26-D77 IonicContact CZ-OD2 3.21Å; R26-D77 IonicContact NE-OD2 3.25Å; R26-D77 PolarHBondContact NE-OD2 3.43Å; R26-D77 IonicContact NH2-OD1 2.79Å; R26-D77 IonicContact NH2-OD2 3.93Å; R26-D77 PolarHBondContact NH2-OD2 2.89Å; D75-D77 VanDerWaalsContact C-N 3.31Å; D75-D77 PolarHBondContact O-N 3.5Å; D77-V79 PolarHBondContact O-N 3.47Å; D77-V79 WeakPolarHBondContact OD1-CA 3.44Å; D77-V79 VanDerWaalsContact OD1-CB 3.26Å; D77-V79 WeakPolarHBondContact OD1-CB 3.35Å; D77-V79 PolarHBondContact OD1-N 3.17Å; D77-H80 WeakPolarHBondContact O-CB 3.47Å; D77-H80 PolarHBondContact O-N 3.18Å; D77-H80 PolarHBondContact OD1-N 2.92Å; D77-T81 PolarHBondContact O-N 2.79Å; D77-T81 PolarHBondContact O-OG1 2.89Å
78V97.4Very high96.6Very high5 Ų553.7 Ų53.73%0.0329%0.287CS..Hα-helixtrans-63.7-22.4177.7-62.70000114.3A30 A33 A82 L102 V115A30-V78 HydrophobicContact CB-CG1 3.65Å; A33-V78 HydrophobicContact CB-CB 4Å; A33-V78 WeakPolarHBondContact CB-O 3.11Å; V78-A82 PolarHBondContact O-N 2.93Å; V78-A82 VanDerWaalsContact O-N 3.16Å; V78-L102 HydrophobicContact CG2-CD2 3.51Å; V78-L102 HydrophobicContact CG2-CG 4.42Å; V78-V115 HydrophobicContact CB-CB 4.28Å; V78-V115 HydrophobicContact CB-CG1 4.36Å; V78-V115 HydrophobicContact CG1-CB 4.36Å; V78-V115 HydrophobicContact CG1-CG2 4.26Å; V78-V115 HydrophobicContact CG2-CB 4.41Å; V78-V115 HydrophobicContact CG2-CG1 3.97Å
79V98.3Very high96.6Very high0 Ų053.7 Ų53.70%029%0.285CS..Hα-helixtrans-71.8-47.4173.8176.10000108.8R26 D77 T81 A82 L83 E96 V99 L102 V117R26-V79 HydrophobicContact CG-CG2 4.23Å; D77-V79 PolarHBondContact O-N 3.47Å; D77-V79 WeakPolarHBondContact OD1-CA 3.44Å; D77-V79 VanDerWaalsContact OD1-CB 3.26Å; D77-V79 WeakPolarHBondContact OD1-CB 3.35Å; D77-V79 PolarHBondContact OD1-N 3.17Å; V79-T81 VanDerWaalsContact C-N 3.31Å; V79-T81 PolarHBondContact O-N 3.31Å; V79-A82 PolarHBondContact O-N 2.93Å; V79-L83 HydrophobicContact CG1-CD1 3.79Å; V79-L83 HydrophobicContact CG1-CG 4.2Å; V79-L83 VanDerWaalsContact O-CG 3.29Å; V79-L83 WeakPolarHBondContact O-CG 3.39Å; V79-L83 PolarHBondContact O-N 3.09Å; V79-E96 HydrophobicContact CG1-CG 4.16Å; V79-V99 HydrophobicContact CG1-CG1 4.34Å; V79-V99 HydrophobicContact CG1-CG2 3.86Å; V79-L102 HydrophobicContact CG2-CD1 3.57Å; V79-L102 HydrophobicContact CG2-CG 4.5Å; V79-V117 HydrophobicContact CG1-CG1 4.37Å; V79-V117 HydrophobicContact CG2-CG1 4.24Å; V79-V117 HydrophobicContact CG2-CG2 4.38Å
80H97.9Very high96.7Very high64 Ų6452.8 Ų52.830%0.29628%0.276SS..Hα-helixtrans-55.4-46.2174.9-170.4-93.7000111.7D75 Q76 D77 A82 L83 R84D75-H80 HydrophobicContact CB-CB 4.47Å; D75-H80 IonicContact OD1-CE1 2.67Å; D75-H80 IonicContact OD1-CG 3.13Å; D75-H80 IonicContact OD1-ND1 2.91Å; D75-H80 PolarHBondContact OD1-ND1 3.35Å; Q76-H80 HydrophobicContact CB-CB 4.26Å; D77-H80 WeakPolarHBondContact O-CB 3.47Å; D77-H80 PolarHBondContact O-N 3.18Å; D77-H80 PolarHBondContact OD1-N 2.92Å; H80-A82 PolarHBondContact O-N 3.2Å; H80-L83 PolarHBondContact O-N 3.38Å; H80-R84 VanDerWaalsContact O-CB 3.28Å; H80-R84 WeakPolarHBondContact O-CB 3.34Å; H80-R84 PolarHBondContact O-N 3.14Å
81T98.2Very high96.8Very high1 Ų147.2 Ų47.21%0.00627%0.267CS..Hα-helixtrans-54.9-53.3174.3-57.20000111.6A33 K70 C71 D75 D77 V79 L83 R84 E85A33-T81 HydrophobicContact CB-CG2 3.93Å; K70-T81 WeakPolarHBondContact O-CG2 3.45Å; C71-T81 HydrophobicContact CB-CG2 4.41Å; D75-T81 WeakPolarHBondContact CB-OG1 3.26Å; D75-T81 WeakPolarHBondContact OD2-CB 3.35Å; D75-T81 PolarHBondContact OD2-OG1 3.12Å; D77-T81 PolarHBondContact O-N 2.79Å; D77-T81 PolarHBondContact O-OG1 2.89Å; V79-T81 VanDerWaalsContact C-N 3.31Å; V79-T81 PolarHBondContact O-N 3.31Å; T81-L83 VanDerWaalsContact C-N 3.32Å; T81-L83 PolarHBondContact O-N 3.45Å; T81-R84 PolarHBondContact O-N 3.21Å; T81-E85 HydrophobicContact CG2-CG 4.15Å; T81-E85 WeakPolarHBondContact O-CB 3.42Å; T81-E85 WeakPolarHBondContact O-CG 3.46Å; T81-E85 PolarHBondContact O-N 3.28Å
82A98.4Very high96.8Very high0 Ų046.4 Ų46.40%026%0.259CS..Hα-helixtrans-62.2-39.1-176.200000112.6A33 L35 V78 V79 H80 T86 V117A33-A82 HydrophobicContact CB-CB 4.03Å; L35-A82 HydrophobicContact CB-CB 4.32Å; V78-A82 PolarHBondContact O-N 2.93Å; V78-A82 VanDerWaalsContact O-N 3.16Å; V79-A82 PolarHBondContact O-N 2.93Å; H80-A82 PolarHBondContact O-N 3.2Å; A82-T86 VanDerWaalsContact O-CB 3.3Å; A82-T86 WeakPolarHBondContact O-CB 3.47Å; A82-T86 PolarHBondContact O-N 3.28Å; A82-T86 VanDerWaalsContact O-N 3.09Å; A82-T86 PolarHBondContact O-OG1 3.34Å; A82-V117 HydrophobicContact CB-CB 4Å; A82-V117 HydrophobicContact CB-CG2 3.73Å
83L98.6Very high97Very high25 Ų2545.8 Ų45.813%0.13127%0.266CS..Hα-helixtrans-70.6-45.9179.1-64177.7000111.8L35 V79 H80 T81 T86 Q87 V94 E96 V99L35-L83 HydrophobicContact CD1-CD2 3.95Å; V79-L83 HydrophobicContact CG1-CD1 3.79Å; V79-L83 HydrophobicContact CG1-CG 4.2Å; V79-L83 VanDerWaalsContact O-CG 3.29Å; V79-L83 WeakPolarHBondContact O-CG 3.39Å; V79-L83 PolarHBondContact O-N 3.09Å; H80-L83 PolarHBondContact O-N 3.38Å; T81-L83 VanDerWaalsContact C-N 3.32Å; T81-L83 PolarHBondContact O-N 3.45Å; L83-T86 PolarHBondContact O-N 2.91Å; L83-Q87 PolarHBondContact O-N 3.4Å; L83-V94 HydrophobicContact CD2-CB 3.79Å; L83-V94 HydrophobicContact CD2-CG1 4.02Å; L83-E96 HydrophobicContact CD1-CB 4.25Å; L83-E96 HydrophobicContact CD1-CG 4.49Å; L83-V99 HydrophobicContact CD1-CG2 4.36Å; L83-V99 HydrophobicContact CD2-CG2 4.24Å
84R98.1Very high97.2Very high49 Ų4940.2 Ų40.219%0.18523%0.23CC..Hα-helixtrans-58.3-53.9177176.2-176.658.166.53.7111K70 D75 H80 T81 T86 Q87 E88K70-R84 PolarHBondContact O-NH2 3.37Å; D75-R84 IonicContact OD1-CZ 2.74Å; D75-R84 IonicContact OD1-NE 2.81Å; D75-R84 PolarHBondContact OD1-NE 3.07Å; D75-R84 IonicContact OD1-NH2 3.55Å; D75-R84 IonicContact OD2-CZ 3.79Å; D75-R84 IonicContact OD2-NE 3.73Å; D75-R84 IonicContact OD2-NH2 3.75Å; D75-R84 PolarHBondContact OD2-NH2 3.24Å; H80-R84 VanDerWaalsContact O-CB 3.28Å; H80-R84 WeakPolarHBondContact O-CB 3.34Å; H80-R84 PolarHBondContact O-N 3.14Å; T81-R84 PolarHBondContact O-N 3.21Å; R84-T86 VanDerWaalsContact C-N 3.3Å; R84-T86 PolarHBondContact O-N 3.14Å; R84-Q87 WeakPolarHBondContact O-CB 3.41Å; R84-Q87 PolarHBondContact O-N 3.36Å; R84-E88 WeakPolarHBondContact CD-OE1 3.3Å; R84-E88 HydrophobicContact CG-CG 4.49Å; R84-E88 WeakPolarHBondContact CG-OE1 3.3Å; R84-E88 IonicContact NH1-OE1 2.99Å; R84-E88 PolarHBondContact NH1-OE1 3.38Å; R84-E88 VanDerWaalsContact NH1-OE1 3.15Å; R84-E88 IonicContact NH1-OE2 3.77Å; R84-E88 PolarHBondContact NH1-OE2 2.81Å; R84-E88 VanDerWaalsContact NH1-OE2 3.1Å; R84-E88 WeakPolarHBondContact O-CG 3.31Å; R84-E88 PolarHBondContact O-N 2.92Å
85E98.1Very high97.3Very high24 Ų2438.8 Ų38.811%0.11221%0.214CC..Hα-helixtrans-61.5-39-179.5-66.2-80.4163.800111.3G69 T81 Q87 E88 E89G69-E85 WeakPolarHBondContact CA-OE2 3.39Å; T81-E85 HydrophobicContact CG2-CG 4.15Å; T81-E85 WeakPolarHBondContact O-CB 3.42Å; T81-E85 WeakPolarHBondContact O-CG 3.46Å; T81-E85 PolarHBondContact O-N 3.28Å; E85-Q87 VanDerWaalsContact C-N 3.3Å; E85-Q87 PolarHBondContact O-N 3.01Å; E85-E88 PolarHBondContact O-N 3.07Å; E85-E89 WeakPolarHBondContact O-CB 3.38Å; E85-E89 WeakPolarHBondContact O-CG 3.43Å; E85-E89 PolarHBondContact O-N 2.86Å
86T98.4Very high97.4Very high0 Ų042.3 Ų42.30%023%0.23CC..Hα-helixtrans-62.3-39174.7-62.20000112.1L35 P67 A82 L83 R84 L90 L92L35-T86 VanDerWaalsContact CB-OG1 3.23Å; L35-T86 WeakPolarHBondContact CB-OG1 3.43Å; L35-T86 HydrophobicContact CD2-CG2 3.76Å; P67-T86 HydrophobicContact CB-CG2 4.24Å; P67-T86 HydrophobicContact CG-CG2 4.19Å; A82-T86 VanDerWaalsContact O-CB 3.3Å; A82-T86 WeakPolarHBondContact O-CB 3.47Å; A82-T86 PolarHBondContact O-N 3.28Å; A82-T86 VanDerWaalsContact O-N 3.09Å; A82-T86 PolarHBondContact O-OG1 3.34Å; L83-T86 PolarHBondContact O-N 2.91Å; R84-T86 VanDerWaalsContact C-N 3.3Å; R84-T86 PolarHBondContact O-N 3.14Å; T86-L90 HydrophobicContact CG2-CD1 4.28Å; T86-L90 VanDerWaalsContact O-CB 3.31Å; T86-L90 WeakPolarHBondContact O-CB 3.49Å; T86-L90 PolarHBondContact O-N 2.87Å; T86-L92 HydrophobicContact CG2-CB 4.07Å; T86-L92 HydrophobicContact CG2-CD2 4.14Å; T86-L92 HydrophobicContact CG2-CG 4.35Å
87Q97.7Very high97.5Very high116 Ų11640.7 Ų40.754%0.54222%0.222SC..Hα-helixtrans-68.2-41.8176.4-174.7177.85.700111.6L83 R84 E85 G91L83-Q87 PolarHBondContact O-N 3.4Å; R84-Q87 WeakPolarHBondContact O-CB 3.41Å; R84-Q87 PolarHBondContact O-N 3.36Å; E85-Q87 VanDerWaalsContact C-N 3.3Å; E85-Q87 PolarHBondContact O-N 3.01Å; Q87-G91 WeakPolarHBondContact O-CA 3.27Å; Q87-G91 PolarHBondContact O-N 2.99Å
88E96.3Very high97.5Very high100 Ų10043 Ų4347%0.46723%0.232SC..Hα-helixtrans-65.5-46.4177.4-70.7170.2-16800112R84 E85R84-E88 WeakPolarHBondContact CD-OE1 3.3Å; R84-E88 HydrophobicContact CG-CG 4.49Å; R84-E88 WeakPolarHBondContact CG-OE1 3.3Å; R84-E88 IonicContact NH1-OE1 2.99Å; R84-E88 PolarHBondContact NH1-OE1 3.38Å; R84-E88 VanDerWaalsContact NH1-OE1 3.15Å; R84-E88 IonicContact NH1-OE2 3.77Å; R84-E88 PolarHBondContact NH1-OE2 2.81Å; R84-E88 VanDerWaalsContact NH1-OE2 3.1Å; R84-E88 WeakPolarHBondContact O-CG 3.31Å; R84-E88 PolarHBondContact O-N 2.92Å; E85-E88 PolarHBondContact O-N 3.07Å
89E96.4Very high97.6Very high5 Ų543.4 Ų43.42%0.02323%0.234CC..Hα-helixtrans-73.3-39.2-177.2-75.2-172.6153.300112.5P67 G68 E85 P131 N132 V136P67-E89 WeakPolarHBondContact CA-OE2 3.22Å; P67-E89 WeakPolarHBondContact CB-OE2 3.14Å; G68-E89 PolarHBondContact N-OE2 3.23Å; E85-E89 WeakPolarHBondContact O-CB 3.38Å; E85-E89 WeakPolarHBondContact O-CG 3.43Å; E85-E89 PolarHBondContact O-N 2.86Å; E89-P131 CarbonylContact O-C 3.56Å; E89-P131 VanDerWaalsContact O-CA 3.22Å; E89-P131 WeakPolarHBondContact O-CA 3.11Å; E89-N132 PolarHBondContact O-N 2.97Å; E89-V136 HydrophobicContact CB-CG2 4.11Å; E89-V136 HydrophobicContact CG-CG2 4.38Å
90L97.1Very high97.5Very high0 Ų043.9 Ų43.90%024%0.236CC..Hα-helixtrans-118.1-12.8-167.8-54.8-172.3000115.2L48 T50 P67 T86 L92 R130 V136 V139L48-L90 HydrophobicContact CD2-CD1 3.86Å; T50-L90 HydrophobicContact CG2-CD1 4.23Å; T50-L90 HydrophobicContact CG2-CD2 3.7Å; T50-L90 HydrophobicContact CG2-CG 4.4Å; P67-L90 HydrophobicContact CB-CD1 3.79Å; P67-L90 HydrophobicContact CB-CG 4.21Å; P67-L90 HydrophobicContact CG-CD1 3.93Å; T86-L90 HydrophobicContact CG2-CD1 4.28Å; T86-L90 VanDerWaalsContact O-CB 3.31Å; T86-L90 WeakPolarHBondContact O-CB 3.49Å; T86-L90 PolarHBondContact O-N 2.87Å; L90-L92 HydrophobicContact CB-CB 4.01Å; L90-L92 PolarHBondContact O-N 3.18Å; L90-R130 CarbonylContact C-O 3.6Å; L90-R130 CarbonylContact O-C 3.55Å; L90-R130 PolarHBondContact O-N 2.79Å; L90-R130 VanDerWaalsContact O-N 3.14Å; L90-V136 HydrophobicContact CD2-CG1 4.44Å; L90-V136 HydrophobicContact CD2-CG2 4.42Å; L90-V139 HydrophobicContact CD2-CG1 4.44Å; L90-V139 HydrophobicContact CD2-CG2 3.57Å
91G96.8Very high97.5Very high52 Ų5241 Ų4154%0.53622%0.223SC..  trans67.914.5-165.900000113.4Q87Q87-G91 WeakPolarHBondContact O-CA 3.27Å; Q87-G91 PolarHBondContact O-N 2.99Å
92L97.1Very high97.6Very high22 Ų2241 Ų4112%0.11522%0.223CC..  trans-92.6107.8-175.7178.663.2000110.5L48 T86 L90 V94 L124 L129L48-L92 HydrophobicContact CD2-CD2 4.29Å; T86-L92 HydrophobicContact CG2-CB 4.07Å; T86-L92 HydrophobicContact CG2-CD2 4.14Å; T86-L92 HydrophobicContact CG2-CG 4.35Å; L90-L92 HydrophobicContact CB-CB 4.01Å; L90-L92 PolarHBondContact O-N 3.18Å; L92-V94 HydrophobicContact CD2-CG2 4.05Å; L92-V94 HydrophobicContact CG-CG2 3.84Å; L92-L124 HydrophobicContact CD1-CD1 4.21Å; L92-L129 HydrophobicContact CB-CD2 3.96Å; L92-L129 HydrophobicContact CD1-CD2 4.17Å; L92-L129 HydrophobicContact CG-CD2 4.48Å
93A96.9Very high97.5Very high72 Ų7241.2 Ų41.260%0.59522%0.224SC*.  trans-82.2117.2171.900000110.3
94V97.6Very high97.3Very high15 Ų1548.6 Ų48.69%0.09125%0.25CS..  trans-113.7115.3175.3-1780000108.4L35 L83 L92 H98 A119 V121L35-V94 HydrophobicContact CD2-CB 4.48Å; L35-V94 HydrophobicContact CD2-CG2 3.94Å; L83-V94 HydrophobicContact CD2-CB 3.79Å; L83-V94 HydrophobicContact CD2-CG1 4.02Å; L92-V94 HydrophobicContact CD2-CG2 4.05Å; L92-V94 HydrophobicContact CG-CG2 3.84Å; V94-H98 HydrophobicContact CG1-CB 4.14Å; V94-A119 HydrophobicContact CG1-CB 4.09Å; V94-V121 HydrophobicContact CG1-CG1 4.21Å; V94-V121 HydrophobicContact CG2-CG1 3.78Å
95P97.4Very high97.2Very high50 Ų5047.3 Ų47.333%0.32525%0.249SC..  trans-61.8145.5176.1-21.732.6000111.7E97 H98P95-E97 HydrophobicContact CB-CG 4.04Å; P95-E97 VanDerWaalsContact CB-OE1 3.25Å; P95-E97 WeakPolarHBondContact CB-OE1 3.29Å; P95-E97 WeakPolarHBondContact CB-OE2 3.38Å; P95-E97 PolarHBondContact O-N 3.36Å; P95-H98 WeakPolarHBondContact O-CB 3.16Å; P95-H98 PolarHBondContact O-N 2.91Å
96E97.1Very high97Very high94 Ų9446.6 Ų46.644%0.43925%0.246SC..G310 helixtrans-63.1-31.6-178.3-170.7-179.7150.700111.8R26 V79 L83 H98 V99R26-E96 IonicContact CZ-OE1 3.1Å; R26-E96 VanDerWaalsContact CZ-OE1 3.25Å; R26-E96 IonicContact NH1-OE1 3.65Å; R26-E96 PolarHBondContact NH1-OE1 3.38Å; R26-E96 IonicContact NH2-OE1 3.15Å; R26-E96 PolarHBondContact NH2-OE1 3Å; R26-E96 IonicContact NH2-OE2 3.53Å; V79-E96 HydrophobicContact CG1-CG 4.16Å; L83-E96 HydrophobicContact CD1-CB 4.25Å; L83-E96 HydrophobicContact CD1-CG 4.49Å; E96-H98 PolarHBondContact O-N 3.41Å; E96-H98 VanDerWaalsContact O-N 3.09Å; E96-V99 VanDerWaalsContact O-CB 3.23Å; E96-V99 WeakPolarHBondContact O-CB 3.33Å; E96-V99 WeakPolarHBondContact O-CG2 3.38Å; E96-V99 PolarHBondContact O-N 3.37Å
97E96.9Very high96.5Very high130 Ų13051 Ų5161%0.60726%0.263SS*.G310 helixtrans-60.7-19.9175.465-90.9-149.800113.2R15 P95 V99R15-E97 PolarHBondContact NH2-O 3.02Å; P95-E97 HydrophobicContact CB-CG 4.04Å; P95-E97 VanDerWaalsContact CB-OE1 3.25Å; P95-E97 WeakPolarHBondContact CB-OE1 3.29Å; P95-E97 WeakPolarHBondContact CB-OE2 3.38Å; P95-E97 PolarHBondContact O-N 3.36Å; E97-V99 VanDerWaalsContact C-N 3.33Å
98H97.3Very high95.4Very high79 Ų7946.7 Ų46.737%0.36624%0.244SC..G310 helixtrans-84.7-6.6175-70.2-176.9000113.3V94 P95 E96 W100 A119 G120V94-H98 HydrophobicContact CG1-CB 4.14Å; P95-H98 WeakPolarHBondContact O-CB 3.16Å; P95-H98 PolarHBondContact O-N 2.91Å; E96-H98 PolarHBondContact O-N 3.41Å; E96-H98 VanDerWaalsContact O-N 3.09Å; H98-W100 PolarHBondContact O-N 2.69Å; H98-A119 WeakPolarHBondContact O-CA 3.36Å; H98-G120 WeakPolarHBondContact CB-O 3.39Å; H98-G120 PolarHBondContact O-N 3.09Å
99V98.3Very high94.1Very high13 Ų1346.9 Ų46.98%0.07925%0.253CS..EExtended strand (participates in β ladder)trans-73.1122174.1176.40000109.5R15 V79 L83 E96 E97 V117 A119R15-V99 PolarHBondContact NH1-O 3.47Å; R15-V99 PolarHBondContact NH2-O 3.49Å; V79-V99 HydrophobicContact CG1-CG1 4.34Å; V79-V99 HydrophobicContact CG1-CG2 3.86Å; L83-V99 HydrophobicContact CD1-CG2 4.36Å; L83-V99 HydrophobicContact CD2-CG2 4.24Å; E96-V99 VanDerWaalsContact O-CB 3.23Å; E96-V99 WeakPolarHBondContact O-CB 3.33Å; E96-V99 WeakPolarHBondContact O-CG2 3.38Å; E96-V99 PolarHBondContact O-N 3.37Å; E97-V99 VanDerWaalsContact C-N 3.33Å; V99-V117 HydrophobicContact CG1-CG1 3.59Å; V99-V117 HydrophobicContact CG2-CG1 4.19Å; V99-A119 HydrophobicContact CG2-CB 4.29Å
100W98Very high92.8Very high11 Ų1153.6 Ų53.64%0.04229%0.285CS..EExtended strand (participates in β ladder)trans-85.8-29.5179.9-65.76000112C5 E11 C14 R15 L38 H98 L118 L193C5-W100 WeakPolarHBondContact O-CH2 3.43Å; E11-W100 HydrophobicContact CB-CD2 4.48Å; E11-W100 HydrophobicContact CB-CH2 4.08Å; E11-W100 HydrophobicContact CB-CZ2 3.7Å; E11-W100 VanDerWaalsContact CD-NE1 3.26Å; E11-W100 HydrophobicContact CG-CD2 4.08Å; E11-W100 HydrophobicContact CG-CG 4.33Å; E11-W100 HydrophobicContact CG-CZ2 3.87Å; E11-W100 PolarHBondContact OE1-NE1 3.27Å; C14-W100 HydrophobicContact CB-CE3 3.77Å; C14-W100 HydrophobicContact CB-CZ3 4.27Å; R15-W100 WeakPolarHBondContact CA-O 3.45Å; R15-W100 HydrophobicContact CG-CB 4.2Å; R15-W100 HydrophobicContact CG-CG 4.5Å; L38-W100 HydrophobicContact CD2-CH2 3.43Å; L38-W100 VanDerWaalsContact CD2-CH2 3.43Å; L38-W100 HydrophobicContact CD2-CZ2 4.28Å; L38-W100 HydrophobicContact CD2-CZ3 3.57Å; H98-W100 PolarHBondContact O-N 2.69Å; W100-L118 HydrophobicContact CB-CD2 4.47Å; W100-L118 HydrophobicContact CB-CG 4.34Å; W100-L118 HydrophobicContact CE3-CD2 3.9Å; W100-L118 HydrophobicContact CE3-CG 4.25Å; W100-L118 PolarHBondContact N-O 3.17Å; W100-L193 HydrophobicContact CE3-CD2 4.44Å; W100-L193 HydrophobicContact CZ3-CD2 3.78Å
101G98Very high91.4Very high2 Ų262 Ų622%0.02132%0.321CS..EExtended strand (participates in β ladder)trans151.1-176.8174.900000113T22 L118T22-G101 VanDerWaalsContact OG1-CA 3.24Å; T22-G101 WeakPolarHBondContact OG1-CA 3.37Å; G101-L118 PolarHBondContact N-O 3.2Å; G101-L118 PolarHBondContact O-N 3.04Å
102L98.4Very high90.6Very high1 Ų161 Ų611%0.00531%0.308CS..EExtended strand (participates in β ladder)trans-100.2129.4-176-75.354.1000109.9T22 L25 R26 V78 V79 V115 P116 V117T22-L102 HydrophobicContact CG2-CD1 3.82Å; T22-L102 PolarHBondContact OG1-N 3.41Å; L25-L102 HydrophobicContact CB-CB 4.3Å; L25-L102 HydrophobicContact CB-CD2 3.44Å; L25-L102 VanDerWaalsContact CB-CD2 3.44Å; L25-L102 HydrophobicContact CD1-CB 3.84Å; L25-L102 HydrophobicContact CD1-CD2 4.46Å; R26-L102 HydrophobicContact CG-CD1 4.34Å; R26-L102 HydrophobicContact CG-CD2 3.88Å; V78-L102 HydrophobicContact CG2-CD2 3.51Å; V78-L102 HydrophobicContact CG2-CG 4.42Å; V79-L102 HydrophobicContact CG2-CD1 3.57Å; V79-L102 HydrophobicContact CG2-CG 4.5Å; L102-V115 HydrophobicContact CB-CG1 4.3Å; L102-V115 HydrophobicContact CD2-CG1 3.89Å; L102-V115 HydrophobicContact CG-CG1 4.03Å; L102-P116 WeakPolarHBondContact CA-O 3.12Å; L102-V117 HydrophobicContact CD1-CG2 4.44Å; L102-V117 HydrophobicContact CG-CG2 4.28Å
103L97.7Very high90.4Very high6 Ų661.5 Ų61.53%0.03131%0.312CS..PPolyproline II helixtrans-76.7173172.2-56.3-179.1000110.5L18 L25 V36 P116 L118 I185 F188 A189 L192L18-L103 HydrophobicContact CD1-CD2 4.22Å; L18-L103 HydrophobicContact CD2-CD2 4.12Å; L25-L103 WeakPolarHBondContact CD1-O 3.23Å; V36-L103 HydrophobicContact CG2-CD1 4.17Å; L103-P116 HydrophobicContact CB-CB 4.04Å; L103-P116 HydrophobicContact CB-CG 4.12Å; L103-P116 HydrophobicContact CD1-CB 4.21Å; L103-P116 HydrophobicContact CG-CB 4.42Å; L103-P116 PolarHBondContact N-O 3.25Å; L103-L118 HydrophobicContact CD2-CB 4.38Å; L103-L118 HydrophobicContact CD2-CD2 4.46Å; L103-L118 HydrophobicContact CG-CB 4.34Å; L103-I185 HydrophobicContact CD1-CG2 4.38Å; L103-F188 HydrophobicContact CD1-CB 4.39Å; L103-A189 HydrophobicContact CD1-CB 4.15Å; L103-L192 HydrophobicContact CD2-CD2 3.85Å
104R94.9Very high90.4Very high179 Ų17959 Ų5968%0.67529%0.289SS*.PPolyproline II helixtrans-58.6129.8175.9-177.4-179.1-64.3-166.81.5109.9F188R104-F188 HydrophobicContact CB-CD2 3.97Å; R104-F188 HydrophobicContact CB-CE2 3.78Å; R104-F188 HydrophobicContact CB-CZ 4.4Å; R104-F188 HydrophobicContact CG-CE2 4.12Å; R104-F188 HydrophobicContact CG-CZ 4.47Å
105P95.1Very high90.4Very high23 Ų2358.5 Ų58.515%0.14929%0.287CS..PPolyproline II helixtrans-59.2145.8174.3-23.533.7000111.7L25 T113 V114 V115L25-P105 HydrophobicContact CD1-CG 4.05Å; L25-P105 HydrophobicContact CD2-CG 3.45Å; L25-P105 VanDerWaalsContact CD2-CG 3.45Å; L25-P105 HydrophobicContact CG-CG 4.4Å; P105-T113 HydrophobicContact CB-CG2 3.88Å; P105-V114 WeakPolarHBondContact CA-O 3.38Å; P105-V115 HydrophobicContact CB-CG2 4.35Å; P105-V115 HydrophobicContact CG-CG2 4.28Å
106V93.3Very high90.4Very high8 Ų856.1 Ų56.15%0.04827%0.271CS..EExtended strand (participates in β ladder)trans-113.6153.9172.5-60.20000109.5V114 L181 V184 I185 F188V106-V114 HydrophobicContact CG2-CB 3.88Å; V106-V114 PolarHBondContact N-O 3.09Å; V106-V114 PolarHBondContact O-N 3.5Å; V106-L181 HydrophobicContact CB-CD2 4.14Å; V106-L181 HydrophobicContact CG2-CB 4.23Å; V106-L181 HydrophobicContact CG2-CD1 4.23Å; V106-L181 HydrophobicContact CG2-CD2 4.1Å; V106-L181 HydrophobicContact CG2-CG 4.42Å; V106-V184 HydrophobicContact CG1-CB 4.35Å; V106-V184 HydrophobicContact CG1-CG1 3.72Å; V106-I185 HydrophobicContact CG1-CG1 3.93Å; V106-I185 HydrophobicContact CG2-CD1 3.87Å; V106-I185 HydrophobicContact CG2-CG1 3.95Å; V106-F188 HydrophobicContact CG1-CD2 4.32Å; V106-F188 HydrophobicContact CG1-CE2 3.66Å; V106-F188 HydrophobicContact CG1-CZ 4.5Å
107Y88.8Confident90.5Very high93 Ų9351.7 Ų51.737%0.36525%0.25SS..EExtended strand (participates in β ladder)trans-117.6128.3-176.6-60.5-86000108.9A112 T113 L181 W207Y107-A112 WeakPolarHBondContact CA-O 3.16Å; Y107-T113 HydrophobicContact CD1-CG2 4.48Å; Y107-T113 HydrophobicContact CE1-CG2 3.99Å; Y107-T113 VanDerWaalsContact CE1-OG1 3.27Å; Y107-T113 WeakPolarHBondContact CE1-OG1 3.43Å; Y107-L181 WeakPolarHBondContact O-CD2 3.46Å; Y107-W207 VanDerWaalsContact O-CE2 3.26Å; Y107-W207 WeakPolarHBondContact O-CZ2 3.25Å; Y107-W207 PolarHBondContact O-NE1 3.16Å; Y107-W207 VanDerWaalsContact O-NE1 3.13Å
108D74.9Confident90.6Very high26 Ų2645.5 Ų45.514%0.13922%0.221CC..  trans-73.1170.2171.494.1-25.1000111.1Q110 K111 A112 L181D108-Q110 PolarHBondContact O-N 3.04Å; D108-Q110 VanDerWaalsContact O-N 3.13Å; D108-Q110 WeakPolarHBondContact OD1-CA 3.4Å; D108-Q110 WeakPolarHBondContact OD1-CB 3.4Å; D108-Q110 PolarHBondContact OD1-N 2.87Å; D108-K111 WeakPolarHBondContact O-CA 3.27Å; D108-K111 PolarHBondContact O-N 3.27Å; D108-K111 PolarHBondContact OD1-N 3.37Å; D108-A112 PolarHBondContact N-O 2.79Å; D108-A112 WeakPolarHBondContact OD1-CB 3.33Å; D108-A112 PolarHBondContact OD1-N 2.75Å; D108-L181 HydrophobicContact CB-CD1 3.8Å
109P68.3Low90.6Very high103 Ų10341.7 Ų41.767%0.66920%0.204SC*.THydrogen-bonded Turntrans-60.8-17.7176.2-25.636.1000115.1K111P109-K111 VanDerWaalsContact C-N 3.32Å
110Q68.6Low90.6Very high146 Ų14641.6 Ų41.668%0.68221%0.205SC*.THydrogen-bonded Turntrans-92.26.1174.5-54.4-178.234.700112.3D108 A112D108-Q110 PolarHBondContact O-N 3.04Å; D108-Q110 VanDerWaalsContact O-N 3.13Å; D108-Q110 WeakPolarHBondContact OD1-CA 3.4Å; D108-Q110 WeakPolarHBondContact OD1-CB 3.4Å; D108-Q110 PolarHBondContact OD1-N 2.87Å; Q110-A112 PolarHBondContact O-N 2.82Å
111K69.1Low90.5Very high177 Ų17742.1 Ų42.177%0.7721%0.209SC*.  trans65.116.2-175.9-51.5-179.8179-179.30114.5D108 P109 T113D108-K111 WeakPolarHBondContact O-CA 3.27Å; D108-K111 PolarHBondContact O-N 3.27Å; D108-K111 PolarHBondContact OD1-N 3.37Å; P109-K111 VanDerWaalsContact C-N 3.32Å; K111-T113 PolarHBondContact O-N 3.27Å
112A79.7Confident90.3Very high31 Ų3143.4 Ų43.426%0.25622%0.223SC..  trans-64.4130.2167.800000109Y107 D108 Q110Y107-A112 WeakPolarHBondContact CA-O 3.16Å; D108-A112 PolarHBondContact N-O 2.79Å; D108-A112 WeakPolarHBondContact OD1-CB 3.33Å; D108-A112 PolarHBondContact OD1-N 2.75Å; Q110-A112 PolarHBondContact O-N 2.82Å
113T92.8Very high90.1Very high32 Ų3249.1 Ų49.120%0.19626%0.26CS..EExtended strand (participates in β ladder)trans-90.1122.1-178.1-56.20000109.2S31 A32 P105 Y107 K111 V115S31-T113 WeakPolarHBondContact CB-O 3.36Å; S31-T113 PolarHBondContact N-O 2.85Å; S31-T113 PolarHBondContact OG-N 2.8Å; A32-T113 PolarHBondContact N-O 2.88Å; A32-T113 VanDerWaalsContact N-O 3.13Å; P105-T113 HydrophobicContact CB-CG2 3.88Å; Y107-T113 HydrophobicContact CD1-CG2 4.48Å; Y107-T113 HydrophobicContact CE1-CG2 3.99Å; Y107-T113 VanDerWaalsContact CE1-OG1 3.27Å; Y107-T113 WeakPolarHBondContact CE1-OG1 3.43Å; K111-T113 PolarHBondContact O-N 3.27Å; T113-V115 HydrophobicContact CG2-CG2 4.44Å
114V95.5Very high90Very high20 Ų2049.9 Ų49.912%0.12126%0.264CS..EExtended strand (participates in β ladder)trans-109.5124.8175.3-172.80000109A32 V34 P105 V106 L181A32-V114 HydrophobicContact CB-CG1 4.43Å; A32-V114 HydrophobicContact CB-CG2 4.27Å; A32-V114 WeakPolarHBondContact O-CA 3.34Å; V34-V114 HydrophobicContact CG1-CG1 3.97Å; V34-V114 HydrophobicContact CG2-CG1 4.18Å; P105-V114 WeakPolarHBondContact CA-O 3.38Å; V106-V114 HydrophobicContact CG2-CB 3.88Å; V106-V114 PolarHBondContact N-O 3.09Å; V106-V114 PolarHBondContact O-N 3.5Å; V114-L181 HydrophobicContact CG2-CD1 4.32Å
115V97.6Very high90.1Very high5 Ų545 Ų453%0.0325%0.251CS..EExtended strand (participates in β ladder)trans-103.5117.5179.7-1790000110.3A30 A32 A33 V34 V78 L102 P105 T113A30-V115 HydrophobicContact CB-CG2 3.64Å; A32-V115 PolarHBondContact O-N 2.84Å; A33-V115 VanDerWaalsContact CA-O 3.27Å; A33-V115 WeakPolarHBondContact CA-O 3.46Å; V34-V115 PolarHBondContact N-O 2.92Å; V78-V115 HydrophobicContact CB-CB 4.28Å; V78-V115 HydrophobicContact CB-CG1 4.36Å; V78-V115 HydrophobicContact CG1-CB 4.36Å; V78-V115 HydrophobicContact CG1-CG2 4.26Å; V78-V115 HydrophobicContact CG2-CB 4.41Å; V78-V115 HydrophobicContact CG2-CG1 3.97Å; L102-V115 HydrophobicContact CB-CG1 4.3Å; L102-V115 HydrophobicContact CD2-CG1 3.89Å; L102-V115 HydrophobicContact CG-CG1 4.03Å; P105-V115 HydrophobicContact CB-CG2 4.35Å; P105-V115 HydrophobicContact CG-CG2 4.28Å; T113-V115 HydrophobicContact CG2-CG2 4.44Å
116P98.4Very high90Very high0 Ų045 Ų450%025%0.251CS..EExtended strand (participates in β ladder)trans-86.3131.1176.8-3.522.2000111.5V34 V36 L102 L103 I185V34-P116 HydrophobicContact CG2-CB 4.11Å; V34-P116 CarbonylContact O-C 3.44Å; V34-P116 WeakPolarHBondContact O-CA 3.41Å; V36-P116 HydrophobicContact CG2-CB 3.79Å; L102-P116 WeakPolarHBondContact CA-O 3.12Å; L103-P116 HydrophobicContact CB-CB 4.04Å; L103-P116 HydrophobicContact CB-CG 4.12Å; L103-P116 HydrophobicContact CD1-CB 4.21Å; L103-P116 HydrophobicContact CG-CB 4.42Å; L103-P116 PolarHBondContact N-O 3.25Å; P116-I185 HydrophobicContact CB-CD1 4.21Å; P116-I185 HydrophobicContact CB-CG1 4.27Å; P116-I185 HydrophobicContact CB-CG2 3.58Å; P116-I185 HydrophobicContact CG-CB 4.38Å; P116-I185 HydrophobicContact CG-CD1 3.81Å; P116-I185 HydrophobicContact CG-CG1 3.68Å; P116-I185 HydrophobicContact CG-CG2 3.89Å
117V98.8Very high90Very high0 Ų052.4 Ų52.40%029%0.285CS..EExtended strand (participates in β ladder)trans-109.8111.3-179.2-178.80000108.5V34 L35 V36 V79 A82 V99 L102V34-V117 PolarHBondContact O-N 3.19Å; L35-V117 CarbonylContact C-O 3.53Å; L35-V117 WeakPolarHBondContact CA-O 3.39Å; L35-V117 HydrophobicContact CD1-CB 4.26Å; L35-V117 HydrophobicContact CD1-CG1 4.1Å; V36-V117 PolarHBondContact N-O 3.47Å; V79-V117 HydrophobicContact CG1-CG1 4.37Å; V79-V117 HydrophobicContact CG2-CG1 4.24Å; V79-V117 HydrophobicContact CG2-CG2 4.38Å; A82-V117 HydrophobicContact CB-CB 4Å; A82-V117 HydrophobicContact CB-CG2 3.73Å; V99-V117 HydrophobicContact CG1-CG1 3.59Å; V99-V117 HydrophobicContact CG2-CG1 4.19Å; L102-V117 HydrophobicContact CD1-CG2 4.44Å; L102-V117 HydrophobicContact CG-CG2 4.28Å
118L98.7Very high90.2Very high0 Ų051.1 Ų51.10%029%0.29CS..EExtended strand (participates in β ladder)trans-83.3127.7177.9178.464.5000110.1L18 V36 L38 W100 G101 L103 L192 L193L18-L118 HydrophobicContact CD1-CD2 4.32Å; V36-L118 HydrophobicContact CB-CD1 4.22Å; V36-L118 HydrophobicContact CG1-CD1 3.95Å; V36-L118 WeakPolarHBondContact O-CD1 3.42Å; L38-L118 HydrophobicContact CB-CD1 4.27Å; W100-L118 HydrophobicContact CB-CD2 4.47Å; W100-L118 HydrophobicContact CB-CG 4.34Å; W100-L118 HydrophobicContact CE3-CD2 3.9Å; W100-L118 HydrophobicContact CE3-CG 4.25Å; W100-L118 PolarHBondContact N-O 3.17Å; G101-L118 PolarHBondContact N-O 3.2Å; G101-L118 PolarHBondContact O-N 3.04Å; L103-L118 HydrophobicContact CD2-CB 4.38Å; L103-L118 HydrophobicContact CD2-CD2 4.46Å; L103-L118 HydrophobicContact CG-CB 4.34Å; L118-L192 HydrophobicContact CD2-CD2 3.6Å; L118-L193 HydrophobicContact CD2-CD2 4.28Å
119A98.3Very high91.2Very high0 Ų050.6 Ų50.60%029%0.287CS..EExtended strand (participates in β ladder)trans-137.9142.9176.200000111.8L35 V36 L38 V94 H98 V99L35-A119 HydrophobicContact CD1-CB 3.78Å; V36-A119 PolarHBondContact O-N 2.89Å; L38-A119 PolarHBondContact N-O 3.17Å; V94-A119 HydrophobicContact CG1-CB 4.09Å; H98-A119 WeakPolarHBondContact O-CA 3.36Å; V99-A119 HydrophobicContact CG2-CB 4.29Å
120G97.1Very high92.4Very high10 Ų1054.5 Ų54.510%0.10329%0.288CS..EExtended strand (participates in β ladder)trans-85.3111.7169.900000110.2L38 H98L38-G120 CarbonylContact O-C 3.52Å; L38-G120 WeakPolarHBondContact O-CA 3.37Å; H98-G120 WeakPolarHBondContact CB-O 3.39Å; H98-G120 PolarHBondContact O-N 3.09Å
121V95.9Very high93.7Very high22 Ų2250.2 Ų50.213%0.13327%0.273CS..EExtended strand (participates in β ladder)trans-95.8-0.9-176.7-54.90000113.5P37 L38 C39 V94 L124P37-V121 HydrophobicContact CB-CG1 3.89Å; P37-V121 HydrophobicContact CB-CG2 4.38Å; L38-V121 PolarHBondContact O-N 3.49Å; C39-V121 HydrophobicContact CB-CG2 3.26Å; V94-V121 HydrophobicContact CG1-CG1 4.21Å; V94-V121 HydrophobicContact CG2-CG1 3.78Å; V121-L124 HydrophobicContact CG2-CD2 4.28Å
122G93.6Very high94.9Very high29 Ų2944.6 Ų44.630%0.29925%0.251SS..EExtended strand (participates in β ladder)trans72.2-160.8179.700000113.7C39 S40 L124C39-G122 CarbonylContact C-O 3.6Å; C39-G122 WeakPolarHBondContact CA-O 3.43Å; S40-G122 PolarHBondContact N-O 3.22Å; G122-L124 PolarHBondContact O-N 2.86Å
123P95.7Very high95.5Very high121 Ų12146 Ų4679%0.78626%0.259SS*.EExtended strand (participates in β ladder)trans-60.9127.1174.4-22.434.4000111.4S40S40-P123 VanDerWaalsContact O-CA 3.31Å; S40-P123 WeakPolarHBondContact O-CA 3.33Å
124L95.3Very high95.4Very high23 Ų2349.3 Ų49.312%0.1227%0.272CS..  trans-140.3135.7-177.8-176.267.6000110.2C39 S40 L48 L92 V121 G122 L129C39-L124 HydrophobicContact CB-CB 3.95Å; C39-L124 HydrophobicContact CB-CD2 4.2Å; S40-L124 PolarHBondContact O-N 2.72Å; L48-L124 HydrophobicContact CD1-CD2 3.98Å; L48-L124 HydrophobicContact CD2-CD2 3.84Å; L48-L124 HydrophobicContact CG-CD2 4.43Å; L92-L124 HydrophobicContact CD1-CD1 4.21Å; V121-L124 HydrophobicContact CG2-CD2 4.28Å; G122-L124 PolarHBondContact O-N 2.86Å; L124-L129 HydrophobicContact CD1-CD2 4.1Å; L124-L129 HydrophobicContact CD1-CG 4.46Å; L124-L129 HydrophobicContact CD2-CD1 4.39Å
125D95.6Very high95.1Very high77 Ų7751.4 Ų51.441%0.41228%0.281SS..  trans-103.8111.3163.7-179.16.1000109Q127 S128D125-Q127 PolarHBondContact O-N 3.41Å; D125-Q127 VanDerWaalsContact O-N 3.08Å; D125-Q127 PolarHBondContact OD1-N 3.45Å; D125-S128 WeakPolarHBondContact O-CB 3.47Å; D125-S128 PolarHBondContact O-N 3.34Å; D125-S128 PolarHBondContact O-OG 3.23Å
126P94Very high94.9Very high21 Ų2151.3 Ų51.314%0.13628%0.28CS..G310 helixtrans-54.9-27.7178-26.935.4000113.8V41 L48 S128 L129 A141V41-P126 HydrophobicContact CG2-CG 4.31Å; L48-P126 HydrophobicContact CD1-CB 4.28Å; L48-P126 HydrophobicContact CD1-CG 4.04Å; P126-S128 VanDerWaalsContact C-N 3.26Å; P126-S128 PolarHBondContact O-N 2.89Å; P126-L129 WeakPolarHBondContact O-CB 3.41Å; P126-L129 PolarHBondContact O-N 2.98Å; P126-A141 HydrophobicContact CG-CB 4.08Å
127Q92.9Very high94.8Very high165 Ų16554.8 Ų54.877%0.77130%0.299SS*.G310 helixtrans-73.1-18.3178.2-61.2-171.5-25.400113.4D125 L129D125-Q127 PolarHBondContact O-N 3.41Å; D125-Q127 VanDerWaalsContact O-N 3.08Å; D125-Q127 PolarHBondContact OD1-N 3.45Å; Q127-L129 VanDerWaalsContact C-N 3.31Å
128S93.3Very high94.6Very high66 Ų6658.2 Ų58.246%0.46232%0.315SS..G310 helixtrans-79.2-15.6176.772.30000113.3D125 P126 R130D125-S128 WeakPolarHBondContact O-CB 3.47Å; D125-S128 PolarHBondContact O-N 3.34Å; D125-S128 PolarHBondContact O-OG 3.23Å; P126-S128 VanDerWaalsContact C-N 3.26Å; P126-S128 PolarHBondContact O-N 2.89Å; S128-R130 PolarHBondContact O-NH1 3.12Å
129L95.7Very high94.6Very high15 Ų1559.2 Ų59.28%0.07932%0.321CS..  trans-69.4164.6-179.5-64.9175000112.2L48 L92 L124 P126 Q127 V139L48-L129 HydrophobicContact CD1-CD1 4.46Å; L48-L129 HydrophobicContact CD2-CD1 3.99Å; L92-L129 HydrophobicContact CB-CD2 3.96Å; L92-L129 HydrophobicContact CD1-CD2 4.17Å; L92-L129 HydrophobicContact CG-CD2 4.48Å; L124-L129 HydrophobicContact CD1-CD2 4.1Å; L124-L129 HydrophobicContact CD1-CG 4.46Å; L124-L129 HydrophobicContact CD2-CD1 4.39Å; P126-L129 WeakPolarHBondContact O-CB 3.41Å; P126-L129 PolarHBondContact O-N 2.98Å; Q127-L129 VanDerWaalsContact C-N 3.31Å; L129-V139 HydrophobicContact CD1-CB 4.46Å; L129-V139 HydrophobicContact CD1-CG1 3.68Å
130R94.3Very high94.5Very high185 Ų18559.9 Ų59.970%0.69832%0.324SS*.  trans-126.575.6-179.3-65.6-67.1179.7-95.1-0108.8L90 S128L90-R130 CarbonylContact C-O 3.6Å; L90-R130 CarbonylContact O-C 3.55Å; L90-R130 PolarHBondContact O-N 2.79Å; L90-R130 VanDerWaalsContact O-N 3.14Å; S128-R130 PolarHBondContact O-NH1 3.12Å
131P95.4Very high94.6Very high55 Ų5560.6 Ų60.636%0.35733%0.329SS..  trans-64138.5-179.225.4-32.4000111.4E89 S133 V136 V139E89-P131 CarbonylContact O-C 3.56Å; E89-P131 VanDerWaalsContact O-CA 3.22Å; E89-P131 WeakPolarHBondContact O-CA 3.11Å; P131-S133 PolarHBondContact O-N 3.08Å; P131-V136 HydrophobicContact CB-CB 3.98Å; P131-V136 HydrophobicContact CB-CG1 3.84Å; P131-V139 HydrophobicContact CB-CG2 3.82Å; P131-V139 HydrophobicContact CG-CG2 4.11Å
132N94.8Very high94.7Very high59 Ų5959.8 Ų59.832%0.31632%0.324SS..  trans-69.7109.8168.5177.95.7000109.3E89 E134 E135 V136E89-N132 PolarHBondContact O-N 2.97Å; N132-E134 PolarHBondContact O-N 3.27Å; N132-E134 VanDerWaalsContact O-N 3.07Å; N132-E134 PolarHBondContact OD1-N 3.07Å; N132-E134 VanDerWaalsContact OD1-N 3.16Å; N132-E135 PolarHBondContact O-N 2.92Å; N132-V136 PolarHBondContact O-N 3.34Å
133S92.1Very high94.9Very high61 Ų6160.7 Ų60.743%0.42733%0.325SS..THydrogen-bonded Turntrans-64.8-14.2-175.461.60000114.8S53 P131 E135S53-S133 PolarHBondContact OG-O 2.8Å; P131-S133 PolarHBondContact O-N 3.08Å; S133-E135 VanDerWaalsContact C-N 3.29Å
134E89.9Confident94.9Very high101 Ų10155.1 Ų55.147%0.47229%0.288SS..THydrogen-bonded Turntrans-77.1-19.8174.6-62.9-54.5114.600112.3R55 N132R55-E134 IonicContact CZ-OE1 3.89Å; R55-E134 IonicContact NH1-OE1 3.24Å; R55-E134 PolarHBondContact NH1-OE1 3.24Å; N132-E134 PolarHBondContact O-N 3.27Å; N132-E134 VanDerWaalsContact O-N 3.07Å; N132-E134 PolarHBondContact OD1-N 3.07Å; N132-E134 VanDerWaalsContact OD1-N 3.16Å
135E88.8Confident94.9Very high64 Ų6455.9 Ų55.930%0.29930%0.297SS..THydrogen-bonded Turntrans-122.9-29.8-173.4-61.8-173.716200113.2S53 L56 N132 S133S53-E135 PolarHBondContact N-O 3.4Å; L56-E135 HydrophobicContact CD2-CG 4.34Å; N132-E135 PolarHBondContact O-N 2.92Å; S133-E135 VanDerWaalsContact C-N 3.29Å
136V95.2Very high95Very high3 Ų353.8 Ų53.82%0.01829%0.285CS..EExtended strand (participates in β ladder)trans-130118-174.3-179.10000110.5T50 E89 L90 P131 N132 E138 V139T50-V136 HydrophobicContact CG2-CG1 4.25Å; T50-V136 HydrophobicContact CG2-CG2 4.31Å; E89-V136 HydrophobicContact CB-CG2 4.11Å; E89-V136 HydrophobicContact CG-CG2 4.38Å; L90-V136 HydrophobicContact CD2-CG1 4.44Å; L90-V136 HydrophobicContact CD2-CG2 4.42Å; P131-V136 HydrophobicContact CB-CB 3.98Å; P131-V136 HydrophobicContact CB-CG1 3.84Å; N132-V136 PolarHBondContact O-N 3.34Å; V136-E138 VanDerWaalsContact CG1-O 3.25Å; V136-E138 WeakPolarHBondContact CG1-O 3.44Å; V136-V139 HydrophobicContact CG1-CG2 3.88Å
137D94.8Very high95.1Very high73 Ų7352.8 Ų52.839%0.3928%0.279SS..EExtended strand (participates in β ladder)trans-83.9-32.2174.9-80.2-5.1000111.6L51 S53 S54L51-D137 HydrophobicContact CD2-CB 4.33Å; L51-D137 PolarHBondContact O-N 3.34Å; S53-D137 VanDerWaalsContact CA-OD1 3.32Å; S53-D137 WeakPolarHBondContact CA-OD1 3.17Å; S53-D137 WeakPolarHBondContact CA-OD2 3.24Å; S53-D137 VanDerWaalsContact CB-OD1 3.24Å; S53-D137 WeakPolarHBondContact CB-OD1 3.33Å; S53-D137 PolarHBondContact OG-OD1 2.92Å; S54-D137 WeakPolarHBondContact CB-OD2 3.41Å; S54-D137 PolarHBondContact N-OD2 3.23Å; S54-D137 PolarHBondContact OG-OD2 2.96Å
138E95.9Very high95.2Very high73 Ų7346 Ų4634%0.34125%0.248SC..EExtended strand (participates in β ladder)trans-149.4148.3-178.4-168.3-176.7147.800111.9T50 L51 V136 H176T50-E138 CarbonylContact C-O 3.56Å; T50-E138 WeakPolarHBondContact CA-O 3.39Å; L51-E138 HydrophobicContact CB-CB 3.79Å; L51-E138 HydrophobicContact CD2-CB 4.21Å; L51-E138 PolarHBondContact N-O 3.45Å; V136-E138 VanDerWaalsContact CG1-O 3.25Å; V136-E138 WeakPolarHBondContact CG1-O 3.44Å; E138-H176 IonicContact OE1-NE2 2.92Å; E138-H176 IonicContact OE2-CD2 2.79Å; E138-H176 IonicContact OE2-CE1 3.93Å; E138-H176 IonicContact OE2-NE2 3.83Å; E138-H176 PolarHBondContact OE2-NE2 2.97Å
139V97.5Very high95.2Very high21 Ų2146.9 Ų46.913%0.12724%0.244CC..EExtended strand (participates in β ladder)trans-120.7127.8168.3-169.40000108.8L48 Y49 L90 L129 P131 V136L48-V139 HydrophobicContact CD1-CG1 3.74Å; L48-V139 HydrophobicContact CD2-CG1 4.16Å; L48-V139 HydrophobicContact CG-CG1 3.95Å; Y49-V139 WeakPolarHBondContact O-CA 3.24Å; L90-V139 HydrophobicContact CD2-CG1 4.44Å; L90-V139 HydrophobicContact CD2-CG2 3.57Å; L129-V139 HydrophobicContact CD1-CB 4.46Å; L129-V139 HydrophobicContact CD1-CG1 3.68Å; P131-V139 HydrophobicContact CB-CG2 3.82Å; P131-V139 HydrophobicContact CG-CG2 4.11Å; V136-V139 HydrophobicContact CG1-CG2 3.88Å
140F97.8Very high95.1Very high13 Ų1350 Ų506%0.05727%0.265CS..EExtended strand (participates in β ladder)trans-144.2160.2-178.768.3-83.5000111.1Y49 V64 L142 P175 H176Y49-F140 HydrophobicContact CD2-CE2 4.09Å; Y49-F140 HydrophobicContact CG-CE2 4.24Å; Y49-F140 HydrophobicContact CG-CZ 4.22Å; Y49-F140 PolarHBondContact N-O 3.1Å; Y49-F140 PolarHBondContact O-N 3.23Å; V64-F140 HydrophobicContact CB-CZ 4.46Å; V64-F140 HydrophobicContact CG1-CE1 4.18Å; V64-F140 HydrophobicContact CG1-CZ 3.67Å; V64-F140 HydrophobicContact CG2-CE1 4.25Å; V64-F140 HydrophobicContact CG2-CZ 3.89Å; F140-L142 HydrophobicContact CD2-CG 4.31Å; F140-L142 HydrophobicContact CE2-CD1 4.2Å; F140-L142 HydrophobicContact CE2-CG 4.03Å; F140-P175 HydrophobicContact CB-CG 4.28Å; F140-P175 HydrophobicContact CD2-CG 3.36Å; F140-P175 HydrophobicContact CE2-CG 3.73Å; F140-P175 HydrophobicContact CG-CG 3.84Å; F140-P175 HydrophobicContact CZ-CG 4.5Å; F140-H176 AromaticContact CD1-CD2 3.8Å; F140-H176 HydrophobicContact CE1-CB 4.27Å; F140-H176 AromaticContact CE1-CD2 3.51Å; F140-H176 HydrophobicContact CZ-CB 3.94Å; F140-H176 AromaticContact CZ-CD2 3.92Å
141A97.9Very high95.1Very high25 Ų2546.8 Ų46.821%0.20726%0.257CS..EExtended strand (participates in β ladder)trans-120.7137.517800000110.5V41 A46 L47 L48 P126V41-A141 HydrophobicContact CG2-CB 3.79Å; A46-A141 HydrophobicContact CB-CB 3.99Å; L47-A141 CarbonylContact O-C 3.59Å; L47-A141 VanDerWaalsContact O-CA 3.28Å; L47-A141 WeakPolarHBondContact O-CA 3.32Å; L48-A141 HydrophobicContact CD1-CB 4.24Å; P126-A141 HydrophobicContact CG-CB 4.08Å
142L97.9Very high95.1Very high6 Ų644.6 Ų44.63%0.03124%0.242CC..EExtended strand (participates in β ladder)trans-104.8121.2170.7-72.6173.4000110A46 L47 Y49 F140 L147 V178A46-L142 CarbonylContact C-O 3.57Å; A46-L142 VanDerWaalsContact CA-O 3.23Å; A46-L142 WeakPolarHBondContact CA-O 3.36Å; A46-L142 WeakPolarHBondContact CB-O 3.32Å; L47-L142 PolarHBondContact N-O 3.15Å; L47-L142 PolarHBondContact O-N 2.93Å; Y49-L142 HydrophobicContact CD2-CB 4.41Å; Y49-L142 HydrophobicContact CD2-CD1 4.33Å; Y49-L142 HydrophobicContact CD2-CG 4.33Å; Y49-L142 HydrophobicContact CE2-CB 3.89Å; Y49-L142 HydrophobicContact CE2-CD1 3.97Å; Y49-L142 HydrophobicContact CE2-CG 4.14Å; F140-L142 HydrophobicContact CD2-CG 4.31Å; F140-L142 HydrophobicContact CE2-CD1 4.2Å; F140-L142 HydrophobicContact CE2-CG 4.03Å; L142-L147 HydrophobicContact CB-CD1 4.24Å; L142-L147 HydrophobicContact CB-CD2 4.22Å; L142-L147 HydrophobicContact CB-CG 4.13Å; L142-L147 HydrophobicContact CD1-CD2 3.9Å; L142-V178 HydrophobicContact CD1-CG2 3.7Å
143P97.2Very high95.1Very high48 Ų4842.7 Ų42.731%0.31223%0.232SC..EExtended strand (participates in β ladder)trans-55.7141.5173.6-26.135.2000111.5V44 P45 A145 H146 L147V44-P143 HydrophobicContact CG1-CB 3.96Å; V44-P143 HydrophobicContact CG1-CG 4.46Å; P45-P143 CarbonylContact O-C 3.59Å; P45-P143 WeakPolarHBondContact O-CA 3.14Å; P143-A145 HydrophobicContact CB-CB 4.47Å; P143-A145 PolarHBondContact O-N 2.92Å; P143-H146 HydrophobicContact CB-CB 4.29Å; P143-H146 VanDerWaalsContact O-CB 3.28Å; P143-H146 WeakPolarHBondContact O-CB 3.5Å; P143-H146 PolarHBondContact O-N 2.83Å; P143-L147 PolarHBondContact O-N 2.99Å; P143-L147 VanDerWaalsContact O-N 3.14Å
144L96.8Very high95.2Very high4 Ų440.6 Ų40.62%0.02122%0.22CC..Hα-helixtrans-58.7-35.5173.3-66.1-171.7000111.2C5 L38 P45 L47 H146 L147 L148 L190 L193C5-L144 WeakPolarHBondContact SG-CD1 3.31Å; L38-L144 HydrophobicContact CD1-CD1 4.05Å; L38-L144 HydrophobicContact CD1-CG 4.46Å; P45-L144 HydrophobicContact CB-CD1 3.98Å; P45-L144 HydrophobicContact CB-CG 4.22Å; P45-L144 HydrophobicContact CG-CD1 4.48Å; P45-L144 PolarHBondContact O-N 2.84Å; L47-L144 HydrophobicContact CD1-CD2 4.37Å; L47-L144 HydrophobicContact CG-CD2 3.92Å; L144-H146 PolarHBondContact O-N 3.07Å; L144-L147 HydrophobicContact CD2-CD1 4.22Å; L144-L147 PolarHBondContact O-N 2.86Å; L144-L147 VanDerWaalsContact O-N 3.17Å; L144-L148 HydrophobicContact CB-CD1 4.34Å; L144-L148 WeakPolarHBondContact O-CB 3.48Å; L144-L148 WeakPolarHBondContact O-CD1 3.09Å; L144-L148 WeakPolarHBondContact O-CG 3.46Å; L144-L148 PolarHBondContact O-N 3.45Å; L144-L190 HydrophobicContact CD2-CD2 3.98Å; L144-L193 HydrophobicContact CD1-CD1 4.4Å; L144-L193 HydrophobicContact CD2-CD1 4.42Å
145A95.3Very high95.3Very high38 Ų3838 Ų3831%0.31421%0.206SC..Hα-helixtrans-53.4-42.3173.100000112.5L2 P143 Q149L2-A145 HydrophobicContact CD1-CB 3.81Å; P143-A145 HydrophobicContact CB-CB 4.47Å; P143-A145 PolarHBondContact O-N 2.92Å; A145-Q149 WeakPolarHBondContact O-CG 3.34Å; A145-Q149 PolarHBondContact O-N 2.89Å
146H96.6Very high95.3Very high34 Ų3437.5 Ų37.516%0.15721%0.207CC..Hα-helixtrans-66.6-47.5177.4-179.789.8000111.1P143 L144 L148 Q149 N152 L172 H173P143-H146 HydrophobicContact CB-CB 4.29Å; P143-H146 VanDerWaalsContact O-CB 3.28Å; P143-H146 WeakPolarHBondContact O-CB 3.5Å; P143-H146 PolarHBondContact O-N 2.83Å; L144-H146 PolarHBondContact O-N 3.07Å; H146-L148 VanDerWaalsContact C-N 3.26Å; H146-L148 PolarHBondContact O-N 3.3Å; H146-Q149 PolarHBondContact O-N 2.89Å; H146-N152 PolarHBondContact CE1-ND2 3.07Å; H146-N152 PolarHBondContact ND1-ND2 2.99Å; H146-N152 WeakPolarHBondContact O-CB 3.48Å; H146-N152 PolarHBondContact O-ND2 2.67Å; H146-L172 PolarHBondContact NE2-O 2.87Å; H146-H173 VanDerWaalsContact CE1-C 3.48Å; H146-H173 PolarHBondContact CE1-O 2.91Å
147L96.7Very high95Very high0 Ų042.8 Ų42.80%023%0.232CC..Hα-helixtrans-66.2-27.9-178.4-67172.1000112.9L47 L142 P143 L144 Q153 F171 T186 L190L47-L147 HydrophobicContact CB-CD1 4.45Å; L47-L147 HydrophobicContact CD1-CD1 3.98Å; L47-L147 HydrophobicContact CG-CD1 4.33Å; L142-L147 HydrophobicContact CB-CD1 4.24Å; L142-L147 HydrophobicContact CB-CD2 4.22Å; L142-L147 HydrophobicContact CB-CG 4.13Å; L142-L147 HydrophobicContact CD1-CD2 3.9Å; P143-L147 PolarHBondContact O-N 2.99Å; P143-L147 VanDerWaalsContact O-N 3.14Å; L144-L147 HydrophobicContact CD2-CD1 4.22Å; L144-L147 PolarHBondContact O-N 2.86Å; L144-L147 VanDerWaalsContact O-N 3.17Å; L147-Q153 PolarHBondContact O-NE2 2.99Å; L147-F171 HydrophobicContact CB-CD1 4.49Å; L147-F171 HydrophobicContact CD2-CB 4.06Å; L147-F171 HydrophobicContact CD2-CD1 3.73Å; L147-F171 HydrophobicContact CD2-CE1 4.37Å; L147-F171 HydrophobicContact CD2-CG 3.93Å; L147-T186 HydrophobicContact CD1-CG2 4.19Å; L147-T186 HydrophobicContact CD2-CG2 4.2Å; L147-L190 HydrophobicContact CB-CD1 3.95Å; L147-L190 HydrophobicContact CB-CD2 3.94Å; L147-L190 HydrophobicContact CD1-CD2 4.26Å
148L95.3Very high94.4Very high23 Ų2342 Ų4212%0.1223%0.225CC..Hα-helixtrans-85.7-10.6-179.2-68.2168.1000113.7L2 L144 H146 T150 Q153 L190 A194 T197 Y198L2-L148 HydrophobicContact CD2-CD1 3.16Å; L2-L148 HydrophobicContact CD2-CG 4.48Å; L144-L148 HydrophobicContact CB-CD1 4.34Å; L144-L148 WeakPolarHBondContact O-CB 3.48Å; L144-L148 WeakPolarHBondContact O-CD1 3.09Å; L144-L148 WeakPolarHBondContact O-CG 3.46Å; L144-L148 PolarHBondContact O-N 3.45Å; H146-L148 VanDerWaalsContact C-N 3.26Å; H146-L148 PolarHBondContact O-N 3.3Å; L148-T150 PolarHBondContact O-N 3.3Å; L148-Q153 PolarHBondContact O-NE2 2.88Å; L148-L190 HydrophobicContact CD2-CD2 4.15Å; L148-L190 HydrophobicContact CG-CD2 4.34Å; L148-A194 HydrophobicContact CD1-CB 3.9Å; L148-A194 HydrophobicContact CD2-CB 3.82Å; L148-T197 HydrophobicContact CD1-CG2 4.38Å; L148-T197 HydrophobicContact CD2-CG2 4.41Å; L148-Y198 HydrophobicContact CD2-CD2 3.87Å; L148-Y198 HydrophobicContact CD2-CG 4.13Å
149Q94.3Very high93.9Very high83 Ų8341.5 Ų41.539%0.38823%0.229SC..  trans-74.2121.7175.2-82.2173.2-1.100111.1A145 H146 Q151 N152A145-Q149 WeakPolarHBondContact O-CG 3.34Å; A145-Q149 PolarHBondContact O-N 2.89Å; H146-Q149 PolarHBondContact O-N 2.89Å; Q149-Q151 HydrophobicContact CB-CG 4.45Å; Q149-Q151 PolarHBondContact O-N 2.99Å; Q149-Q151 VanDerWaalsContact O-N 3.14Å; Q149-N152 HydrophobicContact CB-CB 4.44Å; Q149-N152 PolarHBondContact O-N 2.87Å; Q149-N152 PolarHBondContact OE1-ND2 2.96Å
150T92.4Very high93Very high82 Ų8245 Ų4550%0.50324%0.244SC..G310 helixtrans-55.8-33.6-177.7-53.90000113.3L148 N152 Q153 R201L148-T150 PolarHBondContact O-N 3.3Å; T150-N152 VanDerWaalsContact C-N 3.25Å; T150-N152 PolarHBondContact O-N 2.74Å; T150-Q153 PolarHBondContact O-N 3.03Å; T150-R201 PolarHBondContact O-NH2 2.8Å
151Q94.4Very high92.4Very high117 Ų11755.2 Ų55.255%0.54728%0.282SS..G310 helixtrans-68.7-21.5177.267.1-87.724.400113.7Q149 Q153 H173Q149-Q151 HydrophobicContact CB-CG 4.45Å; Q149-Q151 PolarHBondContact O-N 2.99Å; Q149-Q151 VanDerWaalsContact O-N 3.14Å; Q151-Q153 VanDerWaalsContact C-N 3.34Å; Q151-H173 PolarHBondContact O-CE1 2.8Å; Q151-H173 PolarHBondContact O-ND1 2.84Å
152N96.2Very high91.7Very high8 Ų857.4 Ų57.44%0.04331%0.307CS..G310 helixtrans-93.91.4177.3-60.1-23.2000112H146 Q149 T150 F171 L172 H173H146-N152 PolarHBondContact CE1-ND2 3.07Å; H146-N152 PolarHBondContact ND1-ND2 2.99Å; H146-N152 WeakPolarHBondContact O-CB 3.48Å; H146-N152 PolarHBondContact O-ND2 2.67Å; Q149-N152 HydrophobicContact CB-CB 4.44Å; Q149-N152 PolarHBondContact O-N 2.87Å; Q149-N152 PolarHBondContact OE1-ND2 2.96Å; T150-N152 VanDerWaalsContact C-N 3.25Å; T150-N152 PolarHBondContact O-N 2.74Å; N152-F171 CarbonylContact O-C 3.57Å; N152-F171 VanDerWaalsContact O-CA 3.27Å; N152-F171 WeakPolarHBondContact O-CA 3.09Å; N152-L172 PolarHBondContact O-N 3.43Å; N152-H173 PolarHBondContact OD1-ND1 3.16Å
153Q95.1Very high90.8Very high20 Ų2063.5 Ų63.59%0.09334%0.335CS..EExtended strand (participates in β ladder)trans-110.2139179.3-64167.316.400109L147 L148 T150 Q151 F171 R201L147-Q153 PolarHBondContact O-NE2 2.99Å; L148-Q153 PolarHBondContact O-NE2 2.88Å; T150-Q153 PolarHBondContact O-N 3.03Å; Q151-Q153 VanDerWaalsContact C-N 3.34Å; Q153-F171 HydrophobicContact CG-CD1 4Å; Q153-F171 HydrophobicContact CG-CE1 3.91Å; Q153-R201 VanDerWaalsContact C-NH2 3.32Å; Q153-R201 VanDerWaalsContact CB-NH2 3.29Å; Q153-R201 PolarHBondContact O-NH2 2.84Å
154G93.5Very high90.1Very high17 Ų1766.4 Ų66.418%0.17534%0.343CS..EExtended strand (participates in β ladder)trans-147.4-175.6172.500000111V170G154-V170 PolarHBondContact N-O 3.25Å; G154-V170 PolarHBondContact O-N 3.33Å
155Y92.5Very high89.5Confident45 Ų4572.5 Ų72.518%0.17637%0.365CS..EExtended strand (participates in β ladder)trans-136.8136.6176.4-71.7-81000109.6T167 L168 P169 E187 R201 L202Y155-T167 HydrophobicContact CD1-CG2 4.09Å; Y155-T167 HydrophobicContact CG-CG2 4.22Å; Y155-L168 CarbonylContact C-O 3.53Å; Y155-L168 VanDerWaalsContact CA-O 3.29Å; Y155-L168 WeakPolarHBondContact CA-O 3.44Å; Y155-P169 HydrophobicContact CD1-CB 4.33Å; Y155-P169 HydrophobicContact CE1-CB 4Å; Y155-E187 PolarHBondContact OH-OE2 3.48Å; Y155-E187 VanDerWaalsContact OH-OE2 3.07Å; Y155-R201 HydrophobicContact CE2-CB 3.75Å; Y155-R201 PolarHBondContact OH-N 3.49Å; Y155-L202 HydrophobicContact CD1-CD1 3.2Å; Y155-L202 HydrophobicContact CD1-CG 3.86Å; Y155-L202 HydrophobicContact CD2-CD1 4.42Å; Y155-L202 HydrophobicContact CD2-CG 4.42Å; Y155-L202 HydrophobicContact CE1-CB 4.18Å; Y155-L202 HydrophobicContact CE1-CD1 3.57Å; Y155-L202 HydrophobicContact CE1-CG 3.83Å; Y155-L202 HydrophobicContact CE2-CG 4.42Å; Y155-L202 HydrophobicContact CG-CD1 3.68Å; Y155-L202 HydrophobicContact CG-CG 4.15Å
156T89.1Confident88.9Confident54 Ų5472.7 Ų72.733%0.33136%0.358SS..EExtended strand (participates in β ladder)trans-104.7120.6176.6-570000109.1F158 T167 L168T156-F158 HydrophobicContact CG2-CD2 4.28Å; T156-F158 HydrophobicContact CG2-CE1 4.49Å; T156-F158 HydrophobicContact CG2-CE2 3.73Å; T156-F158 HydrophobicContact CG2-CZ 3.85Å; T156-F158 WeakPolarHBondContact O-CD2 3.12Å; T156-T167 WeakPolarHBondContact O-CA 3.35Å; T156-T167 WeakPolarHBondContact O-CG2 3.39Å; T156-L168 PolarHBondContact N-O 3.27Å; T156-L168 PolarHBondContact O-N 3.08Å
157H87.1Confident88.4Confident114 Ų11471.6 Ų71.653%0.52835%0.354SS..EExtended strand (participates in β ladder)trans-88120.4175.8-57.1-64.9000110F164 T167H157-F164 HydrophobicContact CB-CE2 4.36Å; H157-F164 AromaticContact ND1-CE2 3.87Å; H157-T167 WeakPolarHBondContact ND1-CG2 3.17Å; H157-T167 PolarHBondContact ND1-OG1 2.92Å
158F83.5Confident88.1Confident56 Ų5671.9 Ų71.925%0.24636%0.355CS..EExtended strand (participates in β ladder)trans-94.7121.5176.4-69.3-92.3000109.6T156 R165 Y166 L168T156-F158 HydrophobicContact CG2-CD2 4.28Å; T156-F158 HydrophobicContact CG2-CE1 4.49Å; T156-F158 HydrophobicContact CG2-CE2 3.73Å; T156-F158 HydrophobicContact CG2-CZ 3.85Å; T156-F158 WeakPolarHBondContact O-CD2 3.12Å; F158-R165 WeakPolarHBondContact O-CB 3.45Å; F158-R165 PolarHBondContact O-N 3.46Å; F158-Y166 HydrophobicContact CB-CD1 4.48Å; F158-Y166 HydrophobicContact CB-CD2 3.97Å; F158-Y166 HydrophobicContact CB-CE1 4.22Å; F158-Y166 HydrophobicContact CB-CE2 3.67Å; F158-Y166 HydrophobicContact CB-CG 4.36Å; F158-Y166 HydrophobicContact CD1-CE2 4.23Å; F158-Y166 AromaticContact CD2-CD2 3.67Å; F158-Y166 HydrophobicContact CD2-CD2 3.67Å; F158-Y166 AromaticContact CD2-CE2 3.29Å; F158-Y166 HydrophobicContact CD2-CE2 3.29Å; F158-Y166 AromaticContact CE2-CE2 3.96Å; F158-Y166 HydrophobicContact CE2-CE2 3.96Å; F158-Y166 HydrophobicContact CG-CD2 4.05Å; F158-Y166 AromaticContact CG-CE2 3.45Å; F158-Y166 HydrophobicContact CG-CE2 3.45Å; F158-Y166 VanDerWaalsContact CG-CE2 3.45Å; F158-Y166 AromaticContact CG-CZ 3.84Å; F158-Y166 PolarHBondContact N-O 3.44Å; F158-Y166 PolarHBondContact O-N 3.01Å; F158-L168 HydrophobicContact CD2-CG 4.41Å; F158-L168 HydrophobicContact CE2-CB 4.03Å; F158-L168 HydrophobicContact CE2-CD1 3.88Å; F158-L168 HydrophobicContact CE2-CG 3.97Å; F158-L168 HydrophobicContact CZ-CD1 4.39Å
159C84.3Confident88.1Confident63 Ų6370.9 Ų70.943%0.42635%0.35SS..EExtended strand (participates in β ladder)trans-115.2139.6177.4-63.50000110.1H163C159-H163 CarbonylContact C-O 3.52Å; C159-H163 WeakPolarHBondContact CA-O 3.29Å
160Q79.6Confident88.2Confident95 Ų9567.3 Ų67.344%0.44433%0.334SS..EExtended strand (participates in β ladder)trans-121.3124.3172.4-172.9177.31600109.3G162 H163 R165Q160-G162 PolarHBondContact O-N 2.97Å; Q160-H163 PolarHBondContact N-O 2.76Å; Q160-H163 PolarHBondContact O-N 3.34Å; Q160-R165 HydrophobicContact CB-CG 3.74Å
161R84.3Confident88.4Confident228 Ų22863.6 Ų63.686%0.8631%0.311SS*.THydrogen-bonded Turntrans52.140.8-176.6-61.2178.8177.2171.6-1.3112.7H163R161-H163 PolarHBondContact O-CD2 3.39Å; R161-H163 VanDerWaalsContact O-CD2 3.25Å; R161-H163 PolarHBondContact O-N 2.93Å
162G82.8Confident88.5Confident70 Ų7060.8 Ų60.872%0.72230%0.299SS*.THydrogen-bonded Turntrans79.8-5-179.200000115.4Q160Q160-G162 PolarHBondContact O-N 2.97Å
163H79.9Confident88.4Confident134 Ų13466.9 Ų66.962%0.6233%0.328SS*.EExtended strand (participates in β ladder)trans-100133.7178.4-61.2-78.5000111.7C159 Q160 R161C159-H163 CarbonylContact C-O 3.52Å; C159-H163 WeakPolarHBondContact CA-O 3.29Å; Q160-H163 PolarHBondContact N-O 2.76Å; Q160-H163 PolarHBondContact O-N 3.34Å; R161-H163 PolarHBondContact O-CD2 3.39Å; R161-H163 VanDerWaalsContact O-CD2 3.25Å; R161-H163 PolarHBondContact O-N 2.93Å
164F83.3Confident88.3Confident109 Ų10967.2 Ų67.248%0.47834%0.336SS..EExtended strand (participates in β ladder)trans-54.6136.8170.6177.2-95.9000111H157 T167H157-F164 HydrophobicContact CB-CE2 4.36Å; H157-F164 AromaticContact ND1-CE2 3.87Å; F164-T167 WeakPolarHBondContact CE2-OG1 3.27Å; F164-T167 VanDerWaalsContact CZ-OG1 3.26Å; F164-T167 WeakPolarHBondContact CZ-OG1 3.45Å
165R83.8Confident88.3Confident132 Ų13270 Ų7050%0.49835%0.351SS..EExtended strand (participates in β ladder)trans-116.2-59.7177-55.7-62.9-84.3-127.7-4.6111.2F158 Q160F158-R165 WeakPolarHBondContact O-CB 3.45Å; F158-R165 PolarHBondContact O-N 3.46Å; Q160-R165 HydrophobicContact CB-CG 3.74Å
166Y82Confident88.5Confident42 Ų4270.2 Ų70.217%0.16535%0.354CS..EExtended strand (participates in β ladder)trans-160.7166.7-176.955.4-95.8000110.3F158 L168 S206 W207 P208F158-Y166 HydrophobicContact CB-CD1 4.48Å; F158-Y166 HydrophobicContact CB-CD2 3.97Å; F158-Y166 HydrophobicContact CB-CE1 4.22Å; F158-Y166 HydrophobicContact CB-CE2 3.67Å; F158-Y166 HydrophobicContact CB-CG 4.36Å; F158-Y166 HydrophobicContact CD1-CE2 4.23Å; F158-Y166 AromaticContact CD2-CD2 3.67Å; F158-Y166 HydrophobicContact CD2-CD2 3.67Å; F158-Y166 AromaticContact CD2-CE2 3.29Å; F158-Y166 HydrophobicContact CD2-CE2 3.29Å; F158-Y166 AromaticContact CE2-CE2 3.96Å; F158-Y166 HydrophobicContact CE2-CE2 3.96Å; F158-Y166 HydrophobicContact CG-CD2 4.05Å; F158-Y166 AromaticContact CG-CE2 3.45Å; F158-Y166 HydrophobicContact CG-CE2 3.45Å; F158-Y166 VanDerWaalsContact CG-CE2 3.45Å; F158-Y166 AromaticContact CG-CZ 3.84Å; F158-Y166 PolarHBondContact N-O 3.44Å; F158-Y166 PolarHBondContact O-N 3.01Å; Y166-L168 HydrophobicContact CD2-CD2 4.48Å; Y166-L168 HydrophobicContact CD2-CG 4.07Å; Y166-L168 HydrophobicContact CE2-CD1 4.26Å; Y166-L168 HydrophobicContact CE2-CG 4.11Å; Y166-S206 WeakPolarHBondContact CB-O 3.17Å; Y166-W207 AromaticContact CD2-CE3 3.94Å; Y166-W207 HydrophobicContact CD2-CE3 3.94Å; Y166-W207 AromaticContact CD2-CZ3 3.68Å; Y166-W207 HydrophobicContact CD2-CZ3 3.68Å; Y166-W207 HydrophobicContact CE2-CE3 4.13Å; Y166-W207 HydrophobicContact CE2-CH2 4.13Å; Y166-W207 AromaticContact CE2-CZ3 3.4Å; Y166-W207 HydrophobicContact CE2-CZ3 3.4Å; Y166-W207 VanDerWaalsContact CE2-CZ3 3.4Å; Y166-W207 HydrophobicContact CG-CE3 4.34Å; Y166-W207 HydrophobicContact CG-CZ3 4.4Å; Y166-W207 AromaticContact CZ-CZ3 3.91Å; Y166-P208 HydrophobicContact CD1-CG 3.84Å; Y166-P208 HydrophobicContact CE1-CG 4.05Å
167T86.6Confident88.8Confident11 Ų1174.7 Ų74.77%0.06736%0.364CS..EExtended strand (participates in β ladder)trans-124.1137.5175.8-52.20000109.6Y155 T156 H157 F164 L202Y155-T167 HydrophobicContact CD1-CG2 4.09Å; Y155-T167 HydrophobicContact CG-CG2 4.22Å; T156-T167 WeakPolarHBondContact O-CA 3.35Å; T156-T167 WeakPolarHBondContact O-CG2 3.39Å; H157-T167 WeakPolarHBondContact ND1-CG2 3.17Å; H157-T167 PolarHBondContact ND1-OG1 2.92Å; F164-T167 WeakPolarHBondContact CE2-OG1 3.27Å; F164-T167 VanDerWaalsContact CZ-OG1 3.26Å; F164-T167 WeakPolarHBondContact CZ-OG1 3.45Å; T167-L202 HydrophobicContact CG2-CD1 3.28Å
168L90.4Very high89.3Confident6 Ų669.2 Ų69.23%0.03134%0.339CS..EExtended strand (participates in β ladder)trans-118.9149.7173.9-68.6-174.6000111.7Y155 T156 F158 Y166 V184 W207Y155-L168 CarbonylContact C-O 3.53Å; Y155-L168 VanDerWaalsContact CA-O 3.29Å; Y155-L168 WeakPolarHBondContact CA-O 3.44Å; T156-L168 PolarHBondContact N-O 3.27Å; T156-L168 PolarHBondContact O-N 3.08Å; F158-L168 HydrophobicContact CD2-CG 4.41Å; F158-L168 HydrophobicContact CE2-CB 4.03Å; F158-L168 HydrophobicContact CE2-CD1 3.88Å; F158-L168 HydrophobicContact CE2-CG 3.97Å; F158-L168 HydrophobicContact CZ-CD1 4.39Å; Y166-L168 HydrophobicContact CD2-CD2 4.48Å; Y166-L168 HydrophobicContact CD2-CG 4.07Å; Y166-L168 HydrophobicContact CE2-CD1 4.26Å; Y166-L168 HydrophobicContact CE2-CG 4.11Å; L168-V184 HydrophobicContact CD2-CG2 3.62Å; L168-W207 HydrophobicContact CD1-CH2 4.26Å; L168-W207 HydrophobicContact CD1-CZ3 3.69Å; L168-W207 HydrophobicContact CD2-CE3 3.58Å; L168-W207 HydrophobicContact CD2-CZ3 3.46Å; L168-W207 VanDerWaalsContact CD2-CZ3 3.46Å; L168-W207 HydrophobicContact CG-CE3 4.37Å; L168-W207 HydrophobicContact CG-CZ3 3.81Å
169P94.9Very high89.9Confident2 Ų270.6 Ų70.61%0.01334%0.343CS..EExtended strand (participates in β ladder)trans-63154.516929.4-35.7000110.9Y155 F171 A183 V184 E187Y155-P169 HydrophobicContact CD1-CB 4.33Å; Y155-P169 HydrophobicContact CE1-CB 4Å; P169-F171 HydrophobicContact CB-CE2 4.4Å; P169-A183 HydrophobicContact CB-CB 4.38Å; P169-A183 HydrophobicContact CG-CB 4.01Å; P169-A183 WeakPolarHBondContact O-CB 3Å; P169-V184 HydrophobicContact CG-CG2 4.15Å; P169-E187 HydrophobicContact CB-CB 4.45Å; P169-E187 HydrophobicContact CG-CB 4.12Å
170V95.8Very high90.2Very high9 Ų968.4 Ų68.46%0.05533%0.33CS..EExtended strand (participates in β ladder)trans-140.6138.7167.957.40000108.8G154 L172 R177 V178 W179G154-V170 PolarHBondContact N-O 3.25Å; G154-V170 PolarHBondContact O-N 3.33Å; V170-L172 HydrophobicContact CG2-CD2 3.74Å; V170-L172 HydrophobicContact CG2-CG 4.19Å; V170-R177 HydrophobicContact CG2-CG 3.62Å; V170-V178 WeakPolarHBondContact CA-O 3.29Å; V170-V178 WeakPolarHBondContact CG2-O 3.47Å; V170-W179 HydrophobicContact CG2-CB 4.13Å
171F96.9Very high90.9Very high4 Ų465.8 Ų65.82%0.01832%0.32CS..EExtended strand (participates in β ladder)trans-109.7130.8171.8-56.4-96.8000109.7L147 N152 Q153 P169 V178 A183 T186 E187 L190 Y198L147-F171 HydrophobicContact CB-CD1 4.49Å; L147-F171 HydrophobicContact CD2-CB 4.06Å; L147-F171 HydrophobicContact CD2-CD1 3.73Å; L147-F171 HydrophobicContact CD2-CE1 4.37Å; L147-F171 HydrophobicContact CD2-CG 3.93Å; N152-F171 CarbonylContact O-C 3.57Å; N152-F171 VanDerWaalsContact O-CA 3.27Å; N152-F171 WeakPolarHBondContact O-CA 3.09Å; Q153-F171 HydrophobicContact CG-CD1 4Å; Q153-F171 HydrophobicContact CG-CE1 3.91Å; P169-F171 HydrophobicContact CB-CE2 4.4Å; F171-V178 HydrophobicContact CB-CB 4.11Å; F171-V178 HydrophobicContact CB-CG2 4.46Å; F171-V178 HydrophobicContact CD2-CB 4.46Å; F171-V178 PolarHBondContact N-O 3.09Å; F171-V178 PolarHBondContact O-N 3.12Å; F171-A183 HydrophobicContact CD2-CB 4.08Å; F171-A183 HydrophobicContact CE2-CB 4.2Å; F171-T186 HydrophobicContact CD2-CG2 3.95Å; F171-T186 HydrophobicContact CE1-CG2 4.28Å; F171-T186 HydrophobicContact CE2-CG2 3.54Å; F171-T186 HydrophobicContact CG-CG2 4.49Å; F171-T186 HydrophobicContact CZ-CG2 3.73Å; F171-E187 HydrophobicContact CZ-CB 4.48Å; F171-L190 HydrophobicContact CE1-CD1 3.44Å; F171-L190 VanDerWaalsContact CE1-CD1 3.44Å; F171-L190 HydrophobicContact CZ-CD1 3.59Å; F171-Y198 HydrophobicContact CE1-CE2 4.26Å; F171-Y198 HydrophobicContact CZ-CE2 4.44Å
172L96.2Very high91.4Very high57 Ų5755.9 Ų55.930%0.29828%0.284SS..  trans-120.2173-167.7-61.9174000111.3H146 N152 V170 G174 R177H146-L172 PolarHBondContact NE2-O 2.87Å; N152-L172 PolarHBondContact O-N 3.43Å; V170-L172 HydrophobicContact CG2-CD2 3.74Å; V170-L172 HydrophobicContact CG2-CG 4.19Å; L172-G174 PolarHBondContact O-N 2.87Å; L172-R177 HydrophobicContact CD2-CG 3.97Å
173H94.5Very high92.1Very high137 Ų13752.5 Ų52.563%0.63425%0.25SC*.SBendtrans60.314.4174.5-43.9128.3000115.4H146 Q151 N152H146-H173 VanDerWaalsContact CE1-C 3.48Å; H146-H173 PolarHBondContact CE1-O 2.91Å; Q151-H173 PolarHBondContact O-CE1 2.8Å; Q151-H173 PolarHBondContact O-ND1 2.84Å; N152-H173 PolarHBondContact OD1-ND1 3.16Å
174G93.5Very high92.9Very high26 Ų2646.7 Ų46.727%0.26822%0.223SC..SBendtrans-84.9-174.7162.600000111.7L172 H176L172-G174 PolarHBondContact O-N 2.87Å; G174-H176 PolarHBondContact O-N 3.49Å
175P94.1Very high93.5Very high77 Ų7741.7 Ų41.750%0.520%0.202SC..SBendtrans-61.1-34.6173.826.7-33.1000111.4F140F140-P175 HydrophobicContact CB-CG 4.28Å; F140-P175 HydrophobicContact CD2-CG 3.36Å; F140-P175 HydrophobicContact CE2-CG 3.73Å; F140-P175 HydrophobicContact CG-CG 3.84Å; F140-P175 HydrophobicContact CZ-CG 4.5Å
176H96.4Very high94.2Very high48 Ų4835.4 Ų35.422%0.22218%0.178CC..SBendtrans-132.9150.5176.3-59.7-72.6000110.7V64 E138 F140 G174 V178V64-H176 HydrophobicContact CG2-CB 3.33Å; E138-H176 IonicContact OE1-NE2 2.92Å; E138-H176 IonicContact OE2-CD2 2.79Å; E138-H176 IonicContact OE2-CE1 3.93Å; E138-H176 IonicContact OE2-NE2 3.83Å; E138-H176 PolarHBondContact OE2-NE2 2.97Å; F140-H176 AromaticContact CD1-CD2 3.8Å; F140-H176 HydrophobicContact CE1-CB 4.27Å; F140-H176 AromaticContact CE1-CD2 3.51Å; F140-H176 HydrophobicContact CZ-CB 3.94Å; F140-H176 AromaticContact CZ-CD2 3.92Å; G174-H176 PolarHBondContact O-N 3.49Å; H176-V178 PolarHBondContact O-N 2.71Å
177R95.9Very high94.9Very high148 Ų14833.5 Ų33.556%0.55817%0.171SC*.  trans-71.9124.1173.7176.3177.570-146.7-1.4109.7V64 V170 L172 W179V64-R177 WeakPolarHBondContact CG2-O 3.41Å; V170-R177 HydrophobicContact CG2-CG 3.62Å; L172-R177 HydrophobicContact CD2-CG 3.97Å; R177-W179 HydrophobicContact CG-CB 4.29Å
178V97.4Very high95.4Very high0 Ų034.3 Ų34.30%017%0.173CC..BIsolated β-bridgetrans-93.2116172.8-168.80000108.8Y49 V64 L142 V170 F171 H176 T182 A183Y49-V178 HydrophobicContact CE1-CG1 4.14Å; V64-V178 HydrophobicContact CG1-CG1 4.42Å; V64-V178 HydrophobicContact CG1-CG2 4.17Å; L142-V178 HydrophobicContact CD1-CG2 3.7Å; V170-V178 WeakPolarHBondContact CA-O 3.29Å; V170-V178 WeakPolarHBondContact CG2-O 3.47Å; F171-V178 HydrophobicContact CB-CB 4.11Å; F171-V178 HydrophobicContact CB-CG2 4.46Å; F171-V178 HydrophobicContact CD2-CB 4.46Å; F171-V178 PolarHBondContact N-O 3.09Å; F171-V178 PolarHBondContact O-N 3.12Å; H176-V178 PolarHBondContact O-N 2.71Å; V178-T182 HydrophobicContact CG1-CG2 3.69Å; V178-A183 HydrophobicContact CG1-CB 4.35Å
179W94.4Very high95.7Very high85 Ų8534 Ų3432%0.32217%0.172SC..  trans-143.7178.1-174.669.7-68.3000111.3D63 V170 R177 A183D63-W179 WeakPolarHBondContact OD1-CZ2 3.3Å; D63-W179 PolarHBondContact OD1-NE1 3.46Å; V170-W179 HydrophobicContact CG2-CB 4.13Å; R177-W179 HydrophobicContact CG-CB 4.29Å; W179-A183 PolarHBondContact O-N 3.05Å
180G91.8Very high95.8Very high16 Ų1633.9 Ų33.917%0.16517%0.171CC..Hα-helixtrans66.2-144.6177.600000113.1T182 A183 V184G180-T182 VanDerWaalsContact C-N 3.29Å; G180-T182 PolarHBondContact O-N 2.8Å; G180-A183 PolarHBondContact O-N 3.01Å; G180-V184 PolarHBondContact O-N 3.08Å
181L92.9Very high95.7Very high41 Ų4137.4 Ų37.422%0.21519%0.187CC..Hα-helixtrans-61.3-37.7179.7-64.8-175.4000112.3V106 Y107 D108 V114 A183 V184 I185 W207V106-L181 HydrophobicContact CB-CD2 4.14Å; V106-L181 HydrophobicContact CG2-CB 4.23Å; V106-L181 HydrophobicContact CG2-CD1 4.23Å; V106-L181 HydrophobicContact CG2-CD2 4.1Å; V106-L181 HydrophobicContact CG2-CG 4.42Å; Y107-L181 WeakPolarHBondContact O-CD2 3.46Å; D108-L181 HydrophobicContact CB-CD1 3.8Å; V114-L181 HydrophobicContact CG2-CD1 4.32Å; L181-A183 VanDerWaalsContact C-N 3.27Å; L181-A183 PolarHBondContact O-N 2.84Å; L181-V184 WeakPolarHBondContact O-CB 3.19Å; L181-V184 PolarHBondContact O-N 3.13Å; L181-V184 VanDerWaalsContact O-N 3.08Å; L181-I185 WeakPolarHBondContact O-CG1 3.04Å; L181-I185 PolarHBondContact O-N 3.25Å; L181-W207 HydrophobicContact CD2-CZ2 4.36Å
182T96.4Very high95.6Very high19 Ų1938.3 Ų38.312%0.11719%0.192CC..Hα-helixtrans-58.3-41.3178.1-47.80000111.3Y49 V64 F66 V178 G180 I185 T186Y49-T182 HydrophobicContact CD1-CG2 3.99Å; Y49-T182 HydrophobicContact CE1-CG2 3.97Å; V64-T182 HydrophobicContact CG1-CG2 4.37Å; V64-T182 WeakPolarHBondContact O-CB 3.35Å; V64-T182 PolarHBondContact O-OG1 3.44Å; F66-T182 HydrophobicContact CD2-CG2 3.9Å; F66-T182 HydrophobicContact CE2-CG2 3.93Å; V178-T182 HydrophobicContact CG1-CG2 3.69Å; G180-T182 VanDerWaalsContact C-N 3.29Å; G180-T182 PolarHBondContact O-N 2.8Å; T182-I185 PolarHBondContact O-N 3.47Å; T182-T186 WeakPolarHBondContact O-CB 3.37Å; T182-T186 PolarHBondContact O-N 2.87Å; T182-T186 PolarHBondContact O-OG1 3.03Å
183A96.7Very high95.5Very high0 Ų035.6 Ų35.60%018%0.178CC..Hα-helixtrans-68.7-36.1176.100000112.7P169 F171 V178 W179 G180 L181 T186 E187P169-A183 HydrophobicContact CB-CB 4.38Å; P169-A183 HydrophobicContact CG-CB 4.01Å; P169-A183 WeakPolarHBondContact O-CB 3Å; F171-A183 HydrophobicContact CD2-CB 4.08Å; F171-A183 HydrophobicContact CE2-CB 4.2Å; V178-A183 HydrophobicContact CG1-CB 4.35Å; W179-A183 PolarHBondContact O-N 3.05Å; G180-A183 PolarHBondContact O-N 3.01Å; L181-A183 VanDerWaalsContact C-N 3.27Å; L181-A183 PolarHBondContact O-N 2.84Å; A183-T186 WeakPolarHBondContact O-CB 3.39Å; A183-T186 PolarHBondContact O-N 3.42Å; A183-E187 WeakPolarHBondContact O-CB 3.26Å; A183-E187 PolarHBondContact O-N 3.13Å
184V95.8Very high95.4Very high11 Ų1129.2 Ų29.27%0.06715%0.148CC..Hα-helixtrans-63.2-45.8174.3177.40000110.8V106 L168 P169 G180 L181 T186 E187 F188 L205V106-V184 HydrophobicContact CG1-CB 4.35Å; V106-V184 HydrophobicContact CG1-CG1 3.72Å; L168-V184 HydrophobicContact CD2-CG2 3.62Å; P169-V184 HydrophobicContact CG-CG2 4.15Å; G180-V184 PolarHBondContact O-N 3.08Å; L181-V184 WeakPolarHBondContact O-CB 3.19Å; L181-V184 PolarHBondContact O-N 3.13Å; L181-V184 VanDerWaalsContact O-N 3.08Å; V184-T186 VanDerWaalsContact C-N 3.3Å; V184-T186 PolarHBondContact O-N 3.2Å; V184-E187 WeakPolarHBondContact O-CB 3.39Å; V184-E187 PolarHBondContact O-N 2.82Å; V184-F188 HydrophobicContact CG1-CD2 4.39Å; V184-F188 HydrophobicContact CG1-CE1 4.05Å; V184-F188 HydrophobicContact CG1-CE2 3.75Å; V184-F188 HydrophobicContact CG1-CZ 3.54Å; V184-F188 WeakPolarHBondContact O-CG 3.47Å; V184-F188 PolarHBondContact O-N 3.41Å; V184-L205 HydrophobicContact CG1-CD1 4.39Å
185I97.8Very high95.1Very high5 Ų531.3 Ų31.33%0.02616%0.157CC..Hα-helixtrans-62.6-41.5176.8-64171.4000110.4V34 V36 F66 L103 V106 P116 L181 T182 E187 F188 A189V34-I185 HydrophobicContact CG2-CD1 3.84Å; V36-I185 HydrophobicContact CG2-CG2 3.44Å; V36-I185 VanDerWaalsContact CG2-CG2 3.44Å; F66-I185 HydrophobicContact CD2-CB 4.11Å; F66-I185 HydrophobicContact CD2-CD1 4.39Å; F66-I185 HydrophobicContact CD2-CG2 3.69Å; F66-I185 HydrophobicContact CE2-CB 3.78Å; F66-I185 HydrophobicContact CE2-CG2 3.41Å; F66-I185 VanDerWaalsContact CE2-CG2 3.41Å; F66-I185 HydrophobicContact CZ-CG2 4.35Å; L103-I185 HydrophobicContact CD1-CG2 4.38Å; V106-I185 HydrophobicContact CG1-CG1 3.93Å; V106-I185 HydrophobicContact CG2-CD1 3.87Å; V106-I185 HydrophobicContact CG2-CG1 3.95Å; P116-I185 HydrophobicContact CB-CD1 4.21Å; P116-I185 HydrophobicContact CB-CG1 4.27Å; P116-I185 HydrophobicContact CB-CG2 3.58Å; P116-I185 HydrophobicContact CG-CB 4.38Å; P116-I185 HydrophobicContact CG-CD1 3.81Å; P116-I185 HydrophobicContact CG-CG1 3.68Å; P116-I185 HydrophobicContact CG-CG2 3.89Å; L181-I185 WeakPolarHBondContact O-CG1 3.04Å; L181-I185 PolarHBondContact O-N 3.25Å; T182-I185 PolarHBondContact O-N 3.47Å; I185-E187 VanDerWaalsContact C-N 3.35Å; I185-E187 PolarHBondContact O-N 3.02Å; I185-F188 PolarHBondContact O-N 2.96Å; I185-A189 PolarHBondContact O-N 2.95Å
186T98.2Very high94.6Very high0 Ų030.8 Ų30.80%017%0.166CC..Hα-helixtrans-59.5-46174.7-57.40000110.9L47 Y49 L147 F171 T182 A183 V184 F188 A189 L190L47-T186 HydrophobicContact CD1-CG2 4.32Å; Y49-T186 WeakPolarHBondContact OH-CG2 3.14Å; Y49-T186 PolarHBondContact OH-OG1 3.08Å; L147-T186 HydrophobicContact CD1-CG2 4.19Å; L147-T186 HydrophobicContact CD2-CG2 4.2Å; F171-T186 HydrophobicContact CD2-CG2 3.95Å; F171-T186 HydrophobicContact CE1-CG2 4.28Å; F171-T186 HydrophobicContact CE2-CG2 3.54Å; F171-T186 HydrophobicContact CG-CG2 4.49Å; F171-T186 HydrophobicContact CZ-CG2 3.73Å; T182-T186 WeakPolarHBondContact O-CB 3.37Å; T182-T186 PolarHBondContact O-N 2.87Å; T182-T186 PolarHBondContact O-OG1 3.03Å; A183-T186 WeakPolarHBondContact O-CB 3.39Å; A183-T186 PolarHBondContact O-N 3.42Å; V184-T186 VanDerWaalsContact C-N 3.3Å; V184-T186 PolarHBondContact O-N 3.2Å; T186-F188 VanDerWaalsContact C-N 3.33Å; T186-F188 PolarHBondContact O-N 3.33Å; T186-A189 PolarHBondContact O-N 3.12Å; T186-L190 HydrophobicContact CG2-CD1 4.07Å; T186-L190 HydrophobicContact CG2-CG 4.34Å; T186-L190 VanDerWaalsContact O-CG 3.29Å; T186-L190 WeakPolarHBondContact O-CG 3.2Å; T186-L190 PolarHBondContact O-N 3.09Å
187E96.3Very high94.3Very high1 Ų132 Ų321%0.00518%0.176CC..Hα-helixtrans-60.1-40176.3174.1163.980.200111.7Y155 P169 F171 A183 V184 I185 Q191 Y198Y155-E187 PolarHBondContact OH-OE2 3.48Å; Y155-E187 VanDerWaalsContact OH-OE2 3.07Å; P169-E187 HydrophobicContact CB-CB 4.45Å; P169-E187 HydrophobicContact CG-CB 4.12Å; F171-E187 HydrophobicContact CZ-CB 4.48Å; A183-E187 WeakPolarHBondContact O-CB 3.26Å; A183-E187 PolarHBondContact O-N 3.13Å; V184-E187 WeakPolarHBondContact O-CB 3.39Å; V184-E187 PolarHBondContact O-N 2.82Å; I185-E187 VanDerWaalsContact C-N 3.35Å; I185-E187 PolarHBondContact O-N 3.02Å; E187-Q191 VanDerWaalsContact O-CG 3.3Å; E187-Q191 WeakPolarHBondContact O-CG 3.36Å; E187-Q191 PolarHBondContact O-N 2.79Å; E187-Q191 VanDerWaalsContact O-N 3.09Å; E187-Q191 PolarHBondContact O-NE2 3.34Å; E187-Y198 HydrophobicContact CB-CE1 4.5Å; E187-Y198 HydrophobicContact CG-CE1 3.83Å; E187-Y198 VanDerWaalsContact CG-OH 3.3Å; E187-Y198 WeakPolarHBondContact CG-OH 3.48Å; E187-Y198 PolarHBondContact OE2-OH 3.06Å; E187-Y198 VanDerWaalsContact OE2-OH 3.08Å
188F96.6Very high94Very high28 Ų2825.4 Ų25.412%0.12315%0.152CC..Hα-helixtrans-65.4-42173.4-64-17.5000112.8L103 R104 V106 V184 I185 T186 L192 L205L103-F188 HydrophobicContact CD1-CB 4.39Å; R104-F188 HydrophobicContact CB-CD2 3.97Å; R104-F188 HydrophobicContact CB-CE2 3.78Å; R104-F188 HydrophobicContact CB-CZ 4.4Å; R104-F188 HydrophobicContact CG-CE2 4.12Å; R104-F188 HydrophobicContact CG-CZ 4.47Å; V106-F188 HydrophobicContact CG1-CD2 4.32Å; V106-F188 HydrophobicContact CG1-CE2 3.66Å; V106-F188 HydrophobicContact CG1-CZ 4.5Å; V184-F188 HydrophobicContact CG1-CD2 4.39Å; V184-F188 HydrophobicContact CG1-CE1 4.05Å; V184-F188 HydrophobicContact CG1-CE2 3.75Å; V184-F188 HydrophobicContact CG1-CZ 3.54Å; V184-F188 WeakPolarHBondContact O-CG 3.47Å; V184-F188 PolarHBondContact O-N 3.41Å; I185-F188 PolarHBondContact O-N 2.96Å; T186-F188 VanDerWaalsContact C-N 3.33Å; T186-F188 PolarHBondContact O-N 3.33Å; F188-L192 PolarHBondContact O-N 3.24Å; F188-L205 HydrophobicContact CE1-CD1 3.82Å; F188-L205 HydrophobicContact CZ-CD1 4.23Å
189A97.4Very high93.2Very high0 Ų032.2 Ų32.20%018%0.183CC..Hα-helixtrans-62.5-45.5176.600000111.1V36 L47 L103 I185 T186 Q191 L192 L193V36-A189 HydrophobicContact CG1-CB 4.1Å; L47-A189 HydrophobicContact CD1-CB 4.26Å; L103-A189 HydrophobicContact CD1-CB 4.15Å; I185-A189 PolarHBondContact O-N 2.95Å; T186-A189 PolarHBondContact O-N 3.12Å; A189-Q191 PolarHBondContact O-N 2.97Å; A189-L192 PolarHBondContact O-N 2.91Å; A189-L192 VanDerWaalsContact O-N 3.17Å; A189-L193 HydrophobicContact CB-CD1 4.42Å; A189-L193 WeakPolarHBondContact O-CB 2.72Å; A189-L193 WeakPolarHBondContact O-CG 3.38Å; A189-L193 PolarHBondContact O-N 3.37Å
190L96.3Very high92.5Very high0 Ų030.1 Ų30.10%018%0.181CC..Hα-helixtrans-64.9-39.5180-66.1173.9000112.9L144 L147 L148 F171 T186 L192 L193 A194 Y198L144-L190 HydrophobicContact CD2-CD2 3.98Å; L147-L190 HydrophobicContact CB-CD1 3.95Å; L147-L190 HydrophobicContact CB-CD2 3.94Å; L147-L190 HydrophobicContact CD1-CD2 4.26Å; L148-L190 HydrophobicContact CD2-CD2 4.15Å; L148-L190 HydrophobicContact CG-CD2 4.34Å; F171-L190 HydrophobicContact CE1-CD1 3.44Å; F171-L190 VanDerWaalsContact CE1-CD1 3.44Å; F171-L190 HydrophobicContact CZ-CD1 3.59Å; T186-L190 HydrophobicContact CG2-CD1 4.07Å; T186-L190 HydrophobicContact CG2-CG 4.34Å; T186-L190 VanDerWaalsContact O-CG 3.29Å; T186-L190 WeakPolarHBondContact O-CG 3.2Å; T186-L190 PolarHBondContact O-N 3.09Å; L190-L192 PolarHBondContact O-N 2.97Å; L190-L193 PolarHBondContact O-N 3.24Å; L190-A194 PolarHBondContact O-N 3.38Å; L190-Y198 HydrophobicContact CB-CD1 3.76Å; L190-Y198 HydrophobicContact CB-CD2 3.85Å; L190-Y198 HydrophobicContact CB-CE1 4.07Å; L190-Y198 HydrophobicContact CB-CE2 4.15Å; L190-Y198 HydrophobicContact CB-CG 3.62Å; L190-Y198 HydrophobicContact CD1-CD2 3.79Å; L190-Y198 HydrophobicContact CD1-CE2 3.53Å; L190-Y198 HydrophobicContact CD1-CG 4.42Å; L190-Y198 HydrophobicContact CG-CD2 4.43Å
191Q93.9Very high91.5Very high82 Ų8235.4 Ų35.438%0.38320%0.196SC..Hα-helixtrans-58.5-36.6173.9-76175.462.400112.3E187 A189 Y198 P200E187-Q191 VanDerWaalsContact O-CG 3.3Å; E187-Q191 WeakPolarHBondContact O-CG 3.36Å; E187-Q191 PolarHBondContact O-N 2.79Å; E187-Q191 VanDerWaalsContact O-N 3.09Å; E187-Q191 PolarHBondContact O-NE2 3.34Å; A189-Q191 PolarHBondContact O-N 2.97Å; Q191-Y198 HydrophobicContact CG-CD1 3.7Å; Q191-Y198 HydrophobicContact CG-CE1 3.89Å; Q191-P200 HydrophobicContact CG-CG 3.81Å
192L94.4Very high90.2Very high23 Ų2336.3 Ų36.312%0.1220%0.201CC..Hα-helixtrans-79.8-44.7179.3-177.970.3000112.8R13 C14 L17 L18 L103 L118 F188 A189 L190R13-L192 PolarHBondContact NH2-O 3.3Å; C14-L192 HydrophobicContact CB-CD2 4.21Å; C14-L192 HydrophobicContact CB-CG 4.38Å; L17-L192 HydrophobicContact CB-CD1 4.18Å; L17-L192 HydrophobicContact CD1-CD1 3.86Å; L18-L192 HydrophobicContact CD1-CD2 3.66Å; L18-L192 HydrophobicContact CD2-CD2 4.05Å; L18-L192 HydrophobicContact CG-CD2 3.95Å; L103-L192 HydrophobicContact CD2-CD2 3.85Å; L118-L192 HydrophobicContact CD2-CD2 3.6Å; F188-L192 PolarHBondContact O-N 3.24Å; A189-L192 PolarHBondContact O-N 2.91Å; A189-L192 VanDerWaalsContact O-N 3.17Å; L190-L192 PolarHBondContact O-N 2.97Å
193L94.7Very high87.8Confident1 Ų140.5 Ų40.51%0.00524%0.238CC..Hα-helixtrans-76.8-36.3-172.7-67.1174.8000112.4C5 R13 L38 L47 W100 L118 L144 A189 L190 P195C5-L193 HydrophobicContact CB-CB 4.22Å; C5-L193 HydrophobicContact CB-CD2 4.23Å; R13-L193 PolarHBondContact NH2-O 3.27Å; L38-L193 HydrophobicContact CD1-CD1 4.04Å; L38-L193 HydrophobicContact CD2-CD1 4.14Å; L38-L193 HydrophobicContact CD2-CD2 3.66Å; L47-L193 HydrophobicContact CD2-CD1 4.41Å; W100-L193 HydrophobicContact CE3-CD2 4.44Å; W100-L193 HydrophobicContact CZ3-CD2 3.78Å; L118-L193 HydrophobicContact CD2-CD2 4.28Å; L144-L193 HydrophobicContact CD1-CD1 4.4Å; L144-L193 HydrophobicContact CD2-CD1 4.42Å; A189-L193 HydrophobicContact CB-CD1 4.42Å; A189-L193 WeakPolarHBondContact O-CB 2.72Å; A189-L193 WeakPolarHBondContact O-CG 3.38Å; A189-L193 PolarHBondContact O-N 3.37Å; L190-L193 PolarHBondContact O-N 3.24Å; L193-P195 WeakPolarHBondContact O-CD 3.15Å
194A92.1Very high85.5Confident2 Ų242.8 Ų42.82%0.01726%0.261CS..SBendtrans-126.158.4-175.300000112.8P3 L148 L190 G196 T197 Y198P3-A194 HydrophobicContact CG-CB 3.85Å; L148-A194 HydrophobicContact CD1-CB 3.9Å; L148-A194 HydrophobicContact CD2-CB 3.82Å; L190-A194 PolarHBondContact O-N 3.38Å; A194-G196 PolarHBondContact O-N 2.76Å; A194-T197 PolarHBondContact O-N 2.87Å; A194-T197 VanDerWaalsContact O-N 3.11Å; A194-Y198 PolarHBondContact O-N 2.92Å
195P87.3Confident83.2Confident71 Ų7144.6 Ų44.646%0.46127%0.27SS..BIsolated β-bridgetrans-59.3135.3-178.327.4-34.7000110.3L193 T197L193-P195 WeakPolarHBondContact O-CD 3.15Å; P195-T197 PolarHBondContact O-N 2.81Å; P195-T197 VanDerWaalsContact O-N 3.15Å
196G84.4Confident80.6Confident66 Ų6647.6 Ų47.668%0.6829%0.291SS*.THydrogen-bonded Turntrans79.2-20.7-178.600000115.3A194A194-G196 PolarHBondContact O-N 2.76Å
197T88.8Confident78.3Confident72 Ų7249.8 Ų49.844%0.44230%0.3SS..THydrogen-bonded Turntrans-89.9-45.8172.1-54.40000111L148 A194 P195L148-T197 HydrophobicContact CD1-CG2 4.38Å; L148-T197 HydrophobicContact CD2-CG2 4.41Å; A194-T197 PolarHBondContact O-N 2.87Å; A194-T197 VanDerWaalsContact O-N 3.11Å; P195-T197 PolarHBondContact O-N 2.81Å; P195-T197 VanDerWaalsContact O-N 3.15Å
198Y89.6Confident75.6Confident11 Ų1153.7 Ų53.74%0.04333%0.325CS..BIsolated β-bridgetrans-85.9122.9173.7-172.1-103.5000110.3L148 F171 E187 L190 Q191 A194 P200L148-Y198 HydrophobicContact CD2-CD2 3.87Å; L148-Y198 HydrophobicContact CD2-CG 4.13Å; F171-Y198 HydrophobicContact CE1-CE2 4.26Å; F171-Y198 HydrophobicContact CZ-CE2 4.44Å; E187-Y198 HydrophobicContact CB-CE1 4.5Å; E187-Y198 HydrophobicContact CG-CE1 3.83Å; E187-Y198 VanDerWaalsContact CG-OH 3.3Å; E187-Y198 WeakPolarHBondContact CG-OH 3.48Å; E187-Y198 PolarHBondContact OE2-OH 3.06Å; E187-Y198 VanDerWaalsContact OE2-OH 3.08Å; L190-Y198 HydrophobicContact CB-CD1 3.76Å; L190-Y198 HydrophobicContact CB-CD2 3.85Å; L190-Y198 HydrophobicContact CB-CE1 4.07Å; L190-Y198 HydrophobicContact CB-CE2 4.15Å; L190-Y198 HydrophobicContact CB-CG 3.62Å; L190-Y198 HydrophobicContact CD1-CD2 3.79Å; L190-Y198 HydrophobicContact CD1-CE2 3.53Å; L190-Y198 HydrophobicContact CD1-CG 4.42Å; L190-Y198 HydrophobicContact CG-CD2 4.43Å; Q191-Y198 HydrophobicContact CG-CD1 3.7Å; Q191-Y198 HydrophobicContact CG-CE1 3.89Å; A194-Y198 PolarHBondContact O-N 2.92Å; Y198-P200 HydrophobicContact CD1-CG 4.34Å; Y198-P200 HydrophobicContact CE1-CG 3.92Å
199Q82.3Confident72.9Confident142 Ų14255.7 Ų55.766%0.66435%0.353SS*.  trans-123.4110.9173.7-64.1-158.81.400109.5R201Q199-R201 PolarHBondContact O-N 3.13Å
200P78.9Confident70.3Confident42 Ų4258.3 Ų58.327%0.27338%0.375SS..  trans-57124.7170.5-17.227.8000108.7Q191 Y198 L202Q191-P200 HydrophobicContact CG-CG 3.81Å; Y198-P200 HydrophobicContact CD1-CG 4.34Å; Y198-P200 HydrophobicContact CE1-CG 3.92Å; P200-L202 PolarHBondContact O-N 2.85Å
201R70.8Confident67.3Low127 Ų12767.6 Ų67.648%0.47942%0.419SS..SBendtrans-78-12.9178.9-67.3178.5-83.2-166.1-4.4112.5T150 Q153 Y155 Q199T150-R201 PolarHBondContact O-NH2 2.8Å; Q153-R201 VanDerWaalsContact C-NH2 3.32Å; Q153-R201 VanDerWaalsContact CB-NH2 3.29Å; Q153-R201 PolarHBondContact O-NH2 2.84Å; Y155-R201 HydrophobicContact CE2-CB 3.75Å; Y155-R201 PolarHBondContact OH-N 3.49Å; Q199-R201 PolarHBondContact O-N 3.13Å
202L64.8Low64.5Low59 Ų5967.3 Ų67.331%0.30944%0.437SS..SBendtrans-104.8103.7169.9-64.1176.9000109.3Y155 T167 P200 G204Y155-L202 HydrophobicContact CD1-CD1 3.2Å; Y155-L202 HydrophobicContact CD1-CG 3.86Å; Y155-L202 HydrophobicContact CD2-CD1 4.42Å; Y155-L202 HydrophobicContact CD2-CG 4.42Å; Y155-L202 HydrophobicContact CE1-CB 4.18Å; Y155-L202 HydrophobicContact CE1-CD1 3.57Å; Y155-L202 HydrophobicContact CE1-CG 3.83Å; Y155-L202 HydrophobicContact CE2-CG 4.42Å; Y155-L202 HydrophobicContact CG-CD1 3.68Å; Y155-L202 HydrophobicContact CG-CG 4.15Å; T167-L202 HydrophobicContact CG2-CD1 3.28Å; P200-L202 PolarHBondContact O-N 2.85Å; L202-G204 PolarHBondContact O-N 2.86Å
203A47.1Very low61.6Low108 Ų10873.2 Ų73.289%0.89347%0.468SS*.SBendtrans-69.8110.9165.900000108.4
204G49Very low58.6Low48 Ų4878 Ų7850%0.49551%0.508SS..SBendtrans87.591.9179.600000113L202 S206L202-G204 PolarHBondContact O-N 2.86Å; G204-S206 PolarHBondContact O-N 2.64Å
205L46.1Very low56Low48 Ų4885.1 Ų85.125%0.25154%0.541SS..  trans-58.7102.3161.9-75.7154.5000108.6V184 F188 W207V184-L205 HydrophobicContact CG1-CD1 4.39Å; F188-L205 HydrophobicContact CE1-CD1 3.82Å; F188-L205 HydrophobicContact CZ-CD1 4.23Å; L205-W207 VanDerWaalsContact C-N 3.35Å; L205-W207 PolarHBondContact O-N 2.83Å; L205-W207 VanDerWaalsContact O-N 3.12Å
206S43.8Very low53.3Low68 Ų6887.6 Ų87.648%0.47656%0.557SS.*  trans-79.687.5167.347.80000108.6Y166 G204Y166-S206 WeakPolarHBondContact CB-O 3.17Å; G204-S206 PolarHBondContact O-N 2.64Å
207W49.6Very low51.1Low46 Ų4693.7 Ų93.717%0.17457%0.568CS.*  trans-95.8149.5173.3-173.5-102.8000110.6Y107 Y166 L168 L181 L205 G209 A210Y107-W207 VanDerWaalsContact O-CE2 3.26Å; Y107-W207 WeakPolarHBondContact O-CZ2 3.25Å; Y107-W207 PolarHBondContact O-NE1 3.16Å; Y107-W207 VanDerWaalsContact O-NE1 3.13Å; Y166-W207 AromaticContact CD2-CE3 3.94Å; Y166-W207 HydrophobicContact CD2-CE3 3.94Å; Y166-W207 AromaticContact CD2-CZ3 3.68Å; Y166-W207 HydrophobicContact CD2-CZ3 3.68Å; Y166-W207 HydrophobicContact CE2-CE3 4.13Å; Y166-W207 HydrophobicContact CE2-CH2 4.13Å; Y166-W207 AromaticContact CE2-CZ3 3.4Å; Y166-W207 HydrophobicContact CE2-CZ3 3.4Å; Y166-W207 VanDerWaalsContact CE2-CZ3 3.4Å; Y166-W207 HydrophobicContact CG-CE3 4.34Å; Y166-W207 HydrophobicContact CG-CZ3 4.4Å; Y166-W207 AromaticContact CZ-CZ3 3.91Å; L168-W207 HydrophobicContact CD1-CH2 4.26Å; L168-W207 HydrophobicContact CD1-CZ3 3.69Å; L168-W207 HydrophobicContact CD2-CE3 3.58Å; L168-W207 HydrophobicContact CD2-CZ3 3.46Å; L168-W207 VanDerWaalsContact CD2-CZ3 3.46Å; L168-W207 HydrophobicContact CG-CE3 4.37Å; L168-W207 HydrophobicContact CG-CZ3 3.81Å; L181-W207 HydrophobicContact CD2-CZ2 4.36Å; L205-W207 VanDerWaalsContact C-N 3.35Å; L205-W207 PolarHBondContact O-N 2.83Å; L205-W207 VanDerWaalsContact O-N 3.12Å; W207-G209 PolarHBondContact O-N 3.24Å; W207-A210 PolarHBondContact O-N 3.32Å
208P38.9Very low48.4Very low84 Ų8499.2 Ų99.255%0.54559%0.588SS.*THydrogen-bonded Turntrans-58104.9167.4-20.432000110.8Y166Y166-P208 HydrophobicContact CD1-CG 3.84Å; Y166-P208 HydrophobicContact CE1-CG 4.05Å
209G41.3Very low45.7Very low69 Ų69104.3 Ų104.371%0.71162%0.623SS**THydrogen-bonded Turntrans119.5-0.8-175.200000115.5W207 E211W207-G209 PolarHBondContact O-N 3.24Å; G209-E211 VanDerWaalsContact C-N 3.28Å; G209-E211 PolarHBondContact O-N 3.44Å
210A41.8Very low44.1Very low56 Ų56105.8 Ų105.846%0.46364%0.635SS.*  trans-86.214.2173.500000114.1W207 G212W207-A210 PolarHBondContact O-N 3.32Å; A210-G212 PolarHBondContact O-N 3.41Å; A210-G212 VanDerWaalsContact O-N 3.09Å
211E34.7Very low42.1Very low195 Ų195110.4 Ų110.491%0.91166%0.661SS**THydrogen-bonded Turntrans-67.5108.6-178.1-66.8-175.5148.200110.5G209G209-E211 VanDerWaalsContact C-N 3.28Å; G209-E211 PolarHBondContact O-N 3.44Å
212G33.4Very low40.5Very low75 Ų75109.2 Ų109.277%0.77367%0.673SS**THydrogen-bonded Turntrans160.4-9176.400000116.5A210A210-G212 PolarHBondContact O-N 3.41Å; A210-G212 VanDerWaalsContact O-N 3.09Å
213L35.2Very low39Very low147 Ų147112.1 Ų112.177%0.7770%0.695SS**  trans-119.8107.1178.6-71.4161.9000110
214A30.3Very low38.5Very low102 Ų102112 Ų11284%0.84369%0.686SS**  trans-60.6132.7176.500000110.6
215H37.6Very low37.8Very low151 Ų151118.6 Ų118.670%0.69970%0.704SS**  trans-131.8149.5167.4-76.6-55.3000111.6
216P30.5Very low37.3Very low123 Ų123120.8 Ų120.880%0.79973%0.73SS**  trans-72.3139.1-173.9-4.622.2000110.6
217Q38Very low36.7Very low194 Ų194123.1 Ų123.191%0.90775%0.746SS**  trans-67.2129.1173.3-66.6-179-18.100110.7
218Q32.8Very low35.8Very low188 Ų188125.8 Ų125.888%0.87977%0.771SS**  trans-142.7153.7152.1-82.5-150.3-11.600110.6
219P32.6Very low35.4Very low118 Ų118128.5 Ų128.577%0.76679%0.787SS**  -93.7159-129.833.5-34.9000116
220L49.7Very low34.8Very low174 Ų174130.6 Ų130.691%0.91179%0.791SS**  trans-59137.7174.3-8989000114
221V35.3Very low34.1Very low138 Ų138131.4 Ų131.484%0.83680%0.804SS**  trans-164.2131.1142.8-108.70000106.4
222S37.2Very low33.9Very low103 Ų103129 Ų12972%0.7280%0.797SS**  cis-150169.428.1-700000110.3C224S222-C224 PolarHBondContact O-N 3.01Å
223P33.3Very low33.6Very low119 Ų119133.2 Ų133.277%0.77380%0.802SS**  trans-66.4131.3178.3-10.725.3000111Q225P223-Q225 PolarHBondContact O-N 3.29Å
224C38Very low33.4Very low105 Ų105135.5 Ų135.571%0.70981%0.805SS**  trans-60107.8167.9-78.90000109.2S222 A226S222-C224 PolarHBondContact O-N 3.01Å; C224-A226 PolarHBondContact O-N 3.3Å
225Q33.2Very low33.2Very low187 Ų187133.8 Ų133.887%0.87480%0.798SS**  trans-68.7125.2167.1-70.9-170.1-14.900108.9P223 S227P223-Q225 PolarHBondContact O-N 3.29Å; Q225-S227 PolarHBondContact O-N 3.04Å
226A35.9Very low32.9Very low95 Ų95139.1 Ų139.179%0.78583%0.83SS**  trans-72106.2170.500000108.7C224 S228C224-A226 PolarHBondContact O-N 3.3Å; A226-S228 VanDerWaalsContact C-N 3.31Å; A226-S228 PolarHBondContact O-N 3.13Å; A226-S228 VanDerWaalsContact O-N 3.13Å
227S31.6Very low33Very low116 Ų116139.9 Ų139.981%0.81183%0.832SS**  trans-80.287162.546.20000108.8Q225 T229Q225-S227 PolarHBondContact O-N 3.04Å; S227-T229 PolarHBondContact O-N 3.25Å
228S31.1Very low32.7Very low102 Ų102137.1 Ų137.171%0.71383%0.828SS**  trans-68.1109.3160.551.70000108.7A226A226-S228 VanDerWaalsContact C-N 3.31Å; A226-S228 PolarHBondContact O-N 3.13Å; A226-S228 VanDerWaalsContact O-N 3.13Å
229T30.5Very low32.7Very low141 Ų141134.2 Ų134.287%0.86583%0.825SS**  trans-111.491.515240.60000107.7S227S227-T229 PolarHBondContact O-N 3.25Å
230S29.2Very low32.7Very low114 Ų114135.2 Ų135.280%0.79783%0.829SS**  trans-66.9120.7158.650.80000108.5
231G25.9Very low31.7Very low73 Ų73132.8 Ų132.875%0.75382%0.823SS**  trans-15199.8169.800000109
232L30.5Very low31.4Very low143 Ų143132.4 Ų132.475%0.74982%0.823SS**  trans-55.2145.5178.6-68.691.8000112.3
233N26.8Very low31Very low165 Ų165134.5 Ų134.588%0.88283%0.83SS**  -158.2136109.6-112.9-14.1000113.6
234K31Very low30.9Very low194 Ų194135.7 Ų135.784%0.84383%0.834SS**  trans-77.1155.1174.5-65.2170.7173.4177.70110.1
235G26.9Very low30.3Very low67 Ų67138.3 Ų138.369%0.69185%0.845SS**  trans137.1112144.900000115.6
236L30.5Very low30Very low262 Ų262133.8 Ų133.8100%1.37284%0.842SS**  trans74.30171.6-71105.2000117.9

Retrieved 236 of 236 residues in 49 ms (Link to these results)

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