A0A096NH14_PAPAN Loading...

Retinoblastoma-binding protein 5

In embryonic stem (ES) cells, plays a crucial role in the differentiation potential, particularly along the neural lineage, regulating gene induction and H3 'Lys-4' methylation at key developmental loci, including that mediated by retinoic acid. Does not affect ES cell self-renewal. Component or associated component of some histone methyltransferase complexes which regulates transcription through recruitment of those complexes to gene promoters. As part of the MLL1/MLL complex, involved in mono-, di- and trimethylation at 'Lys-4' of histone H3. Histone H3 'Lys-4' methylation represents a specific tag for epigenetic transcriptional activation. In association with ASH2L and WDR5, stimulates the histone methyltransferase activities of KMT2A, KMT2B, KMT2C, KMT2D, SETD1A and SETD1B.

AlphaFold DB (Q15291), UniProt , Accession A0A096NH14, Species PAPAN (Papio anubis, Olive baboon), Gene RBBP5, Length 538 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
1M50.9Low59.8Low140 Ų140100.8 Ų100.869%0.6952%0.516SS*.  0111.30174.4142.343.400105.9L3 L54 R307M1-L3 PolarHBondContact O-N 3.21Å; M1-L54 HydrophobicContact CE-CD2 3.95Å; M1-R307 PolarHBondContact SD-NH2 2.95Å
2N60.2Low61.9Low116 Ų11699.1 Ų99.162%0.6251%0.508SS*.  trans-75.490.7-173.6-72.3-6000109.6E4 L5N2-E4 PolarHBondContact O-N 3.35Å; N2-L5 HydrophobicContact CB-CB 4.35Å; N2-L5 HydrophobicContact CB-CD1 3.73Å; N2-L5 HydrophobicContact CB-CG 3.94Å; N2-L5 PolarHBondContact O-N 3.24Å
3L61.7Low63.9Low15 Ų1593.8 Ų93.88%0.07948%0.478CS..THydrogen-bonded Turntrans-60.2-32.1177.2-91.7107.6000112.1M1 L5 L6 E7 V306 I383 A385 F386M1-L3 PolarHBondContact O-N 3.21Å; L3-L5 PolarHBondContact O-N 3.36Å; L3-L6 WeakPolarHBondContact O-CA 3.32Å; L3-L6 WeakPolarHBondContact O-CB 3.3Å; L3-L6 PolarHBondContact O-N 3.27Å; L3-E7 PolarHBondContact O-N 3.16Å; L3-V306 HydrophobicContact CD2-CB 4.1Å; L3-V306 HydrophobicContact CD2-CG2 4.23Å; L3-V306 VanDerWaalsContact CD2-O 3.31Å; L3-V306 WeakPolarHBondContact CD2-O 3.28Å; L3-I383 HydrophobicContact CD1-CG2 3.81Å; L3-A385 HydrophobicContact CD2-CB 4.29Å; L3-F386 HydrophobicContact CD1-CE1 4.46Å; L3-F386 HydrophobicContact CD1-CZ 4.14Å
4E57.7Low65.9Low153 Ų15387.1 Ų87.172%0.71544%0.444SS*.Hα-helixtrans-61.3-29.5179.1-62.2-179.517500112.9N2 L6N2-E4 PolarHBondContact O-N 3.35Å; E4-L6 VanDerWaalsContact C-N 3.26Å; E4-L6 PolarHBondContact O-N 3.33Å
5L57.6Low67.5Low126 Ų12685.2 Ų85.266%0.6643%0.433SS*.Hα-helixtrans-73.9-17.1174.5-67.5176.2000113.1N2 L3 S8N2-L5 HydrophobicContact CB-CB 4.35Å; N2-L5 HydrophobicContact CB-CD1 3.73Å; N2-L5 HydrophobicContact CB-CG 3.94Å; N2-L5 PolarHBondContact O-N 3.24Å; L3-L5 PolarHBondContact O-N 3.36Å; L5-S8 PolarHBondContact O-OG 2.88Å
6L57.2Low68.9Low91 Ų9185.2 Ų85.248%0.47643%0.431SS..Hα-helixtrans-91.7-28.7177.6-75.4137.8000112.3L3 E4 S8 R307L3-L6 WeakPolarHBondContact O-CA 3.32Å; L3-L6 WeakPolarHBondContact O-CB 3.3Å; L3-L6 PolarHBondContact O-N 3.27Å; E4-L6 VanDerWaalsContact C-N 3.26Å; E4-L6 PolarHBondContact O-N 3.33Å; L6-S8 VanDerWaalsContact C-N 3.25Å; L6-S8 PolarHBondContact O-N 2.63Å; L6-R307 VanDerWaalsContact CD1-NH1 3.32Å
7E54.1Low70.2Confident124 Ų12483.8 Ų83.858%0.57944%0.436SS*.Hα-helixtrans-68.6-22.7-176.4-72.4-174.2177.300113.2L3 F9L3-E7 PolarHBondContact O-N 3.16Å; E7-F9 PolarHBondContact O-N 3.35Å
8S56.2Low71.2Confident70 Ų7083.2 Ų83.249%0.4943%0.433SS..THydrogen-bonded Turntrans-76.5-16.8-169.833.50000115.6L5 L6L5-S8 PolarHBondContact O-OG 2.88Å; L6-S8 VanDerWaalsContact C-N 3.25Å; L6-S8 PolarHBondContact O-N 2.63Å
9F58.4Low72.2Confident158 Ų15880.7 Ų80.769%0.69343%0.43SS*.SBendtrans-131.35.4-169.2-60.8-76.5000115.2E7E7-F9 PolarHBondContact O-N 3.35Å
10G65.8Low73.2Confident23 Ų2380 Ų8024%0.23743%0.428CS..SBendtrans-131.6157-169.500000117.1
11Q78.7Confident74Confident93 Ų9376.8 Ų76.844%0.43541%0.411SS..  trans-71.5138.3168.1-64.1-63.6-14.100110.3Y13 Q323Q11-Y13 HydrophobicContact CB-CD1 4.29Å; Q11-Y13 HydrophobicContact CB-CE1 3.93Å; Q11-Y13 HydrophobicContact CB-CE2 4.24Å; Q11-Y13 HydrophobicContact CG-CE1 4.3Å; Q11-Y13 PolarHBondContact O-N 2.92Å; Q11-Q323 PolarHBondContact O-OE1 3.34Å
12N84.5Confident75.5Confident80 Ų8076.8 Ų76.843%0.42841%0.414SS..SBendtrans-80.820.8-177.8-72.3-50.4000114.2Y265N12-Y265 HydrophobicContact CB-CE2 3.79Å
13Y87.9Confident76.3Confident30 Ų3074.3 Ų74.312%0.11841%0.405CS..SBendtrans-140.7151177.557.7-98.2000111.5Q11 E15 Y265 V287Q11-Y13 HydrophobicContact CB-CD1 4.29Å; Q11-Y13 HydrophobicContact CB-CE1 3.93Å; Q11-Y13 HydrophobicContact CB-CE2 4.24Å; Q11-Y13 HydrophobicContact CG-CE1 4.3Å; Q11-Y13 PolarHBondContact O-N 2.92Å; Y13-E15 HydrophobicContact CD2-CG 4.16Å; Y13-E15 HydrophobicContact CE2-CG 3.87Å; Y13-Y265 HydrophobicContact CD1-CD1 4.46Å; Y13-Y265 AromaticContact CD1-CE1 3.73Å; Y13-Y265 HydrophobicContact CD1-CE1 3.73Å; Y13-Y265 AromaticContact CD1-CZ 3.91Å; Y13-V287 HydrophobicContact CD1-CG1 3.83Å; Y13-V287 HydrophobicContact CD2-CG1 4.35Å; Y13-V287 HydrophobicContact CE1-CG1 3.46Å; Y13-V287 VanDerWaalsContact CE1-CG1 3.46Å; Y13-V287 HydrophobicContact CE2-CG1 4.05Å; Y13-V287 HydrophobicContact CG-CG1 4.27Å
14P91.9Very high77.3Confident0 Ų074 Ų740%040%0.403CS..  trans-69.7143.4176.125.6-32000111.8I278 L290 P308 I310 W321 A322P14-I278 HydrophobicContact CG-CD1 3.99Å; P14-L290 HydrophobicContact CB-CD1 4.27Å; P14-L290 HydrophobicContact CG-CD1 4.04Å; P14-P308 WeakPolarHBondContact CB-O 3.2Å; P14-I310 HydrophobicContact CG-CB 4.32Å; P14-I310 HydrophobicContact CG-CD1 3.43Å; P14-I310 VanDerWaalsContact CG-CD1 3.43Å; P14-I310 HydrophobicContact CG-CG1 3.76Å; P14-W321 HydrophobicContact CB-CB 4.03Å; P14-A322 WeakPolarHBondContact CA-O 3.33Å
15E90.1Very high78.7Confident59 Ų5969.6 Ų69.628%0.27639%0.39SS..  trans-114-27.5-174.6-60.4-158.1121.500113.5Y13 K288 L290 A322Y13-E15 HydrophobicContact CD2-CG 4.16Å; Y13-E15 HydrophobicContact CE2-CG 3.87Å; E15-K288 WeakPolarHBondContact O-CE 3.34Å; E15-L290 VanDerWaalsContact O-CD2 3.28Å; E15-L290 WeakPolarHBondContact O-CD2 3.44Å; E15-A322 PolarHBondContact N-O 2.9Å
16E89.6Confident80.3Confident85 Ų8567.5 Ų67.540%0.39738%0.377SS..EExtended strand (participates in β ladder)trans-145.5170.5-174.265.4-179.8-173.200113.3W321 A322 N324E16-W321 CarbonylContact O-C 3.48Å; E16-W321 VanDerWaalsContact O-CA 3.25Å; E16-W321 WeakPolarHBondContact O-CA 3.41Å; E16-A322 PolarHBondContact N-O 3.4Å; E16-A322 PolarHBondContact O-N 2.61Å; E16-N324 HydrophobicContact CG-CB 4.44Å; E16-N324 PolarHBondContact OE1-OD1 3.35Å
17A91.5Very high82.2Confident62 Ų6263.1 Ų63.151%0.51236%0.355SS..EExtended strand (participates in β ladder)trans-82.2119.2173.200000109.3W321A17-W321 HydrophobicContact CB-CE3 3.83Å; A17-W321 HydrophobicContact CB-CH2 4.3Å; A17-W321 HydrophobicContact CB-CZ3 3.71Å
18D88.1Confident84.2Confident73 Ų7358.7 Ų58.739%0.3934%0.335SS..EExtended strand (participates in β ladder)trans-87.4-23.8-179.5-173.639.4000111.9R56 I320 A322D18-R56 IonicContact OD2-NH2 3.37Å; D18-I320 HydrophobicContact CB-CG2 4.37Å; D18-I320 PolarHBondContact N-O 2.85Å; D18-A322 HydrophobicContact CB-CB 3.8Å
19G89.6Confident86.2Confident36 Ų3656.2 Ų56.237%0.37132%0.316SS..EExtended strand (participates in β ladder)trans156.1-173.5174.100000114.6S319 I320G19-S319 WeakPolarHBondContact O-CA 3.25Å; G19-I320 PolarHBondContact N-O 2.88Å; G19-I320 PolarHBondContact O-N 2.79Å
20T92Very high88.1Confident65 Ų6549 Ų4940%0.39929%0.286SS..EExtended strand (participates in β ladder)trans-118149.3175.152.10000111.2D22 V317 V318T20-D22 PolarHBondContact O-N 3.11Å; T20-D22 PolarHBondContact OG1-OD1 2.93Å; T20-V317 HydrophobicContact CG2-CG1 3.81Å; T20-V318 CarbonylContact C-O 3.54Å; T20-V318 VanDerWaalsContact CA-O 3.3Å; T20-V318 WeakPolarHBondContact CA-O 3.39Å
21L91.3Very high89.6Confident13 Ų1349.2 Ų49.27%0.06828%0.283CS..  trans-89.284175.8-53.3-172.7000110.2C23 I24 L39 W51 V318 I320L21-C23 PolarHBondContact O-N 3.17Å; L21-C23 VanDerWaalsContact O-N 3.15Å; L21-I24 HydrophobicContact CB-CD1 4.13Å; L21-I24 HydrophobicContact CB-CG1 4.25Å; L21-I24 HydrophobicContact CD1-CD1 3.86Å; L21-I24 PolarHBondContact O-N 2.88Å; L21-L39 HydrophobicContact CD1-CD2 4.24Å; L21-W51 HydrophobicContact CD1-CD2 3.82Å; L21-W51 HydrophobicContact CD1-CE3 4.12Å; L21-W51 HydrophobicContact CD1-CG 4Å; L21-W51 HydrophobicContact CD2-CD2 4.23Å; L21-W51 HydrophobicContact CD2-CH2 3.81Å; L21-W51 HydrophobicContact CD2-CZ2 3.45Å; L21-W51 VanDerWaalsContact CD2-CZ2 3.45Å; L21-W51 HydrophobicContact CD2-CZ3 4.31Å; L21-V318 HydrophobicContact CB-CB 4.16Å; L21-V318 HydrophobicContact CD1-CB 4.1Å; L21-V318 HydrophobicContact CD1-CG1 3.87Å; L21-V318 HydrophobicContact CG-CB 4.14Å; L21-V318 HydrophobicContact CG-CG1 4.21Å; L21-V318 PolarHBondContact N-O 2.94Å; L21-I320 HydrophobicContact CD1-CD1 4.29Å; L21-I320 HydrophobicContact CD2-CG1 3.94Å; L21-I320 HydrophobicContact CG-CD1 4.38Å; L21-I320 HydrophobicContact CG-CG1 4.17Å
22D82.5Confident90.5Very high140 Ų14045 Ų4575%0.74926%0.263SS*.THydrogen-bonded Turntrans-64.9-20-172.8-62.9-15.1000114T20 I24T20-D22 PolarHBondContact O-N 3.11Å; T20-D22 PolarHBondContact OG1-OD1 2.93Å; D22-I24 PolarHBondContact O-N 3.32Å
23C76.5Confident91Very high64 Ų6441.2 Ų41.243%0.43224%0.243SC..THydrogen-bonded Turntrans-75.2-10.7176.662.10000113.5L21 W51 I58L21-C23 PolarHBondContact O-N 3.17Å; L21-C23 VanDerWaalsContact O-N 3.15Å; C23-W51 VanDerWaalsContact SG-CD1 3.53Å; C23-I58 HydrophobicContact CB-CD1 3.88Å; C23-I58 HydrophobicContact CB-CG1 4.06Å
24I82.1Confident91.1Very high8 Ų841.6 Ų41.64%0.04124%0.244CC..  trans-109.4124.3-179.5-49.7-177.6000109.3L21 D22 A27 V41 V49 W51 V318L21-I24 HydrophobicContact CB-CD1 4.13Å; L21-I24 HydrophobicContact CB-CG1 4.25Å; L21-I24 HydrophobicContact CD1-CD1 3.86Å; L21-I24 PolarHBondContact O-N 2.88Å; D22-I24 PolarHBondContact O-N 3.32Å; I24-A27 HydrophobicContact CG2-CB 4.36Å; I24-V41 HydrophobicContact CD1-CB 4.39Å; I24-V41 HydrophobicContact CD1-CG2 3.84Å; I24-V41 HydrophobicContact CG2-CB 4.27Å; I24-V41 HydrophobicContact CG2-CG1 3.92Å; I24-V49 HydrophobicContact CD1-CG1 4.3Å; I24-V49 HydrophobicContact CG1-CG1 4.08Å; I24-W51 HydrophobicContact CD1-CB 3.99Å; I24-W51 HydrophobicContact CD1-CG 4.25Å; I24-V318 HydrophobicContact CB-CG2 4.47Å; I24-V318 HydrophobicContact CD1-CG2 4.37Å; I24-V318 HydrophobicContact CG2-CG2 4.3Å
25S87.2Confident91Very high62 Ų6241.9 Ų41.943%0.43425%0.245SC..  trans-115.8150.7175.855.90000111.5A27 C43S25-A27 VanDerWaalsContact C-N 3.3Å; S25-A27 PolarHBondContact O-N 3.32Å; S25-C43 PolarHBondContact O-SG 3.34Å; S25-C43 VanDerWaalsContact O-SG 3.34Å
26M92.2Very high91.1Very high81 Ų8139.1 Ų39.140%0.39923%0.232SC..SBendtrans59.534.5175-52.1177.5-74.400114.3C43 N44 D45 G316M26-C43 CarbonylContact O-C 3.58Å; M26-C43 VanDerWaalsContact O-CA 3.3Å; M26-C43 WeakPolarHBondContact O-CA 3.47Å; M26-N44 HydrophobicContact CB-CB 3.83Å; M26-N44 PolarHBondContact O-N 3.15Å; M26-D45 HydrophobicContact CE-CB 3.74Å; M26-D45 VanDerWaalsContact CE-OD2 3.26Å; M26-D45 WeakPolarHBondContact CE-OD2 3.09Å; M26-G316 PolarHBondContact N-O 3.26Å; M26-G316 VanDerWaalsContact N-O 3.13Å
27A96.1Very high91.2Very high0 Ų036.2 Ų36.20%022%0.22CC..EExtended strand (participates in β ladder)trans-60.9137.7177.200000112.1I24 S25 V41 I313 G316 V318I24-A27 HydrophobicContact CG2-CB 4.36Å; S25-A27 VanDerWaalsContact C-N 3.3Å; S25-A27 PolarHBondContact O-N 3.32Å; A27-V41 HydrophobicContact CB-CG1 3.51Å; A27-I313 HydrophobicContact CB-CD1 3.96Å; A27-I313 HydrophobicContact CB-CG1 4.2Å; A27-I313 HydrophobicContact CB-CG2 3.85Å; A27-I313 VanDerWaalsContact O-CG2 3.23Å; A27-I313 WeakPolarHBondContact O-CG2 3.18Å; A27-G316 PolarHBondContact N-O 2.62Å; A27-G316 WeakPolarHBondContact O-CA 3.44Å; A27-V318 HydrophobicContact CB-CG2 3.65Å
28L96.6Very high91.4Very high30 Ų3033.2 Ų33.216%0.15720%0.196CC..EExtended strand (participates in β ladder)trans-123.6-39.4178.7-70.4179.9000113.4G42 N44 P68 L299L28-G42 PolarHBondContact N-O 3.44Å; L28-N44 HydrophobicContact CD1-CB 3.85Å; L28-N44 HydrophobicContact CD2-CB 4.5Å; L28-N44 HydrophobicContact CG-CB 4.11Å; L28-P68 HydrophobicContact CD1-CB 3.66Å; L28-L299 HydrophobicContact CD2-CD1 3.88Å
29T97.6Very high91.8Very high18 Ų1829.8 Ų29.811%0.1118%0.177CC..EExtended strand (participates in β ladder)trans-143.6152177.9-175.80000110V41 G42 L72 D300T29-V41 CarbonylContact O-C 3.55Å; T29-V41 WeakPolarHBondContact O-CA 3.31Å; T29-G42 PolarHBondContact N-O 3.38Å; T29-G42 PolarHBondContact O-N 3.49Å; T29-L72 HydrophobicContact CG2-CD1 4.2Å; T29-L72 HydrophobicContact CG2-CG 4.27Å; T29-D300 WeakPolarHBondContact CA-OD2 3.48Å; T29-D300 WeakPolarHBondContact CB-OD2 3.39Å; T29-D300 PolarHBondContact OG1-OD2 3Å
30C97.8Very high92.2Very high7 Ų728 Ų285%0.04716%0.16CC..EExtended strand (participates in β ladder)trans-139.8153.2174.664.10000112.7L39 A40 V41 D300 I313C30-L39 HydrophobicContact CB-CD1 3.86Å; C30-L39 HydrophobicContact CB-CG 4.25Å; C30-A40 CarbonylContact C-O 3.58Å; C30-A40 WeakPolarHBondContact CA-O 3.43Å; C30-V41 HydrophobicContact CB-CG2 4.1Å; C30-D300 PolarHBondContact N-OD2 2.64Å; C30-I313 HydrophobicContact CB-CD1 3.74Å; C30-I313 HydrophobicContact CB-CG1 4.48Å
31T98.1Very high92.5Very high28 Ų2825 Ų2517%0.17214%0.141CC..EExtended strand (participates in β ladder)trans-148.7132172.9-1800000110.7A40 L72 W74T31-A40 HydrophobicContact CG2-CB 4.22Å; T31-A40 PolarHBondContact N-O 2.62Å; T31-A40 PolarHBondContact O-N 3.06Å; T31-L72 HydrophobicContact CG2-CB 3.55Å; T31-W74 PolarHBondContact O-NE1 2.97Å
32F96.8Very high92.8Very high4 Ų424.3 Ų24.32%0.01814%0.137CC..EExtended strand (participates in β ladder)trans-69.7148.8168.6-69.3-83.8000110.3L38 L39 F53 W74 A302 H304 P305 A311F32-L38 WeakPolarHBondContact CA-O 3.16Å; F32-L39 HydrophobicContact CD1-CB 4.48Å; F32-L39 HydrophobicContact CD1-CD1 4Å; F32-L39 HydrophobicContact CD2-CD1 4.02Å; F32-L39 HydrophobicContact CE1-CD1 4.03Å; F32-L39 HydrophobicContact CE2-CD1 4.02Å; F32-L39 HydrophobicContact CG-CD1 4Å; F32-L39 HydrophobicContact CZ-CD1 4.04Å; F32-F53 HydrophobicContact CD1-CE2 4.18Å; F32-F53 HydrophobicContact CE1-CD2 4.24Å; F32-F53 HydrophobicContact CE1-CE1 4.41Å; F32-F53 AromaticContact CE1-CE2 3.41Å; F32-F53 HydrophobicContact CE1-CE2 3.41Å; F32-F53 VanDerWaalsContact CE1-CE2 3.41Å; F32-F53 AromaticContact CE1-CZ 3.51Å; F32-F53 HydrophobicContact CE1-CZ 3.51Å; F32-F53 HydrophobicContact CZ-CE2 4.26Å; F32-F53 AromaticContact CZ-CZ 3.99Å; F32-F53 HydrophobicContact CZ-CZ 3.99Å; F32-W74 VanDerWaalsContact C-CD1 3.45Å; F32-A302 HydrophobicContact CD2-CB 3.94Å; F32-A302 HydrophobicContact CE2-CB 3.92Å; F32-H304 AromaticContact CD1-CD2 3.93Å; F32-H304 HydrophobicContact CE1-CB 4.28Å; F32-H304 AromaticContact CE1-CD2 3.59Å; F32-H304 HydrophobicContact CE2-CB 4.4Å; F32-H304 HydrophobicContact CZ-CB 4.12Å; F32-P305 HydrophobicContact CB-CG 4.5Å; F32-A311 HydrophobicContact CE2-CB 3.89Å; F32-A311 HydrophobicContact CZ-CB 3.81Å
33N94.8Very high93.5Very high1 Ų117.7 Ų17.71%0.00510%0.102CC..  trans-66.7-178.7161.871.5-21.7000110.5W35 G36 T37 L38 W74 L399N33-W35 VanDerWaalsContact C-N 3.31Å; N33-W35 PolarHBondContact O-N 3.09Å; N33-G36 PolarHBondContact O-N 3.34Å; N33-G36 VanDerWaalsContact OD1-CA 3.25Å; N33-G36 WeakPolarHBondContact OD1-CA 3.46Å; N33-G36 PolarHBondContact OD1-N 3.05Å; N33-T37 PolarHBondContact ND2-OG1 2.9Å; N33-T37 PolarHBondContact OD1-N 3.18Å; N33-L38 HydrophobicContact CB-CB 4.37Å; N33-L38 PolarHBondContact N-O 2.76Å; N33-L38 PolarHBondContact OD1-N 3.46Å; N33-L38 VanDerWaalsContact OD1-N 3.11Å; N33-L38 PolarHBondContact OD1-O 3.38Å; N33-W74 HydrophobicContact CB-CD2 3.79Å; N33-W74 HydrophobicContact CB-CE3 4.08Å; N33-W74 HydrophobicContact CB-CG 4.12Å; N33-W74 HydrophobicContact CB-CH2 4.5Å; N33-W74 HydrophobicContact CB-CZ2 4.25Å; N33-W74 HydrophobicContact CB-CZ3 4.4Å; N33-L399 PolarHBondContact ND2-O 2.9Å
34R91.4Very high94.5Very high38 Ų3818.5 Ų18.514%0.14310%0.102CC..SBendtrans-58.2-42.3-176.6179172.8172.1-177.91.9112.5R76 P305 F386 E391 D395R34-R76 WeakPolarHBondContact CD-O 3.37Å; R34-R76 VanDerWaalsContact CZ-NH2 3.32Å; R34-R76 VanDerWaalsContact NH1-CZ 3.34Å; R34-R76 VanDerWaalsContact NH2-NH2 3.16Å; R34-P305 VanDerWaalsContact O-CB 3.28Å; R34-P305 WeakPolarHBondContact O-CB 3.33Å; R34-P305 VanDerWaalsContact O-CG 3.3Å; R34-P305 WeakPolarHBondContact O-CG 3.41Å; R34-F386 PolarHBondContact NH2-O 2.89Å; R34-F386 VanDerWaalsContact NH2-O 3.16Å; R34-E391 IonicContact CZ-OE2 3.7Å; R34-E391 IonicContact NH2-OE2 3.99Å; R34-E391 PolarHBondContact NH2-OE2 2.87Å; R34-D395 IonicContact NH1-OD2 3.15Å
35W88.8Confident95.1Very high5 Ų520.4 Ų20.42%0.01911%0.112CC..SBendtrans-94.8-8.9-174.6-56.1-82.9000114.6N33 T37 F386 D395 A398 L400N33-W35 VanDerWaalsContact C-N 3.31Å; N33-W35 PolarHBondContact O-N 3.09Å; W35-T37 VanDerWaalsContact C-N 3.3Å; W35-T37 HydrophobicContact CB-CG2 4.44Å; W35-T37 PolarHBondContact O-N 3.15Å; W35-F386 HydrophobicContact CB-CE1 4.16Å; W35-F386 AromaticContact CD1-CD1 3.54Å; W35-F386 AromaticContact CD1-CE1 3.95Å; W35-F386 AromaticContact CD1-CG 3.59Å; W35-F386 HydrophobicContact CG-CD1 4.42Å; W35-F386 HydrophobicContact CG-CE1 4.49Å; W35-D395 HydrophobicContact CZ2-CB 4.35Å; W35-A398 HydrophobicContact CD2-CB 4.19Å; W35-A398 HydrophobicContact CE3-CB 4.08Å; W35-A398 HydrophobicContact CH2-CB 3Å; W35-A398 HydrophobicContact CZ2-CB 3.05Å; W35-A398 HydrophobicContact CZ3-CB 3.5Å; W35-L400 HydrophobicContact CB-CD2 3.9Å; W35-L400 HydrophobicContact CD2-CD2 3.38Å; W35-L400 HydrophobicContact CE3-CD2 3.67Å; W35-L400 HydrophobicContact CG-CD2 3.43Å; W35-L400 VanDerWaalsContact CG-CD2 3.43Å
36G92.1Very high95.5Very high1 Ų117.5 Ų17.51%0.019%0.092CC..SBendtrans80.75.6178.400000114.9N33 L38 H304 P305N33-G36 PolarHBondContact O-N 3.34Å; N33-G36 VanDerWaalsContact OD1-CA 3.25Å; N33-G36 WeakPolarHBondContact OD1-CA 3.46Å; N33-G36 PolarHBondContact OD1-N 3.05Å; G36-L38 VanDerWaalsContact C-N 3.33Å; G36-H304 WeakPolarHBondContact CA-NE2 3.34Å; G36-H304 PolarHBondContact O-NE2 2.82Å; G36-P305 VanDerWaalsContact CA-CG 3.44Å; G36-P305 VanDerWaalsContact N-CG 3.25Å
37T92.7Very high95.7Very high24 Ų2417.3 Ų17.315%0.1479%0.087CC..SBendtrans-69.4-32.3175.954.20000112.6N33 W35 F53 L400N33-T37 PolarHBondContact ND2-OG1 2.9Å; N33-T37 PolarHBondContact OD1-N 3.18Å; W35-T37 VanDerWaalsContact C-N 3.3Å; W35-T37 HydrophobicContact CB-CG2 4.44Å; W35-T37 PolarHBondContact O-N 3.15Å; T37-F53 PolarHBondContact O-N 2.83Å; T37-L400 WeakPolarHBondContact CB-O 3.37Å; T37-L400 PolarHBondContact OG1-O 3.35Å
38L95.3Very high95.8Very high0 Ų017.3 Ų17.30%09%0.087CC..EExtended strand (participates in β ladder)trans-120.9139.8-178.1-59.1177.3000111.1F32 N33 G36 I50 W51 D52 A59 W74 L402F32-L38 WeakPolarHBondContact CA-O 3.16Å; N33-L38 HydrophobicContact CB-CB 4.37Å; N33-L38 PolarHBondContact N-O 2.76Å; N33-L38 PolarHBondContact OD1-N 3.46Å; N33-L38 VanDerWaalsContact OD1-N 3.11Å; N33-L38 PolarHBondContact OD1-O 3.38Å; G36-L38 VanDerWaalsContact C-N 3.33Å; L38-I50 HydrophobicContact CB-CG2 4.06Å; L38-I50 HydrophobicContact CD1-CG2 4.24Å; L38-I50 HydrophobicContact CD2-CG2 4.23Å; L38-I50 HydrophobicContact CG-CG2 4.41Å; L38-W51 CarbonylContact C-O 3.56Å; L38-W51 WeakPolarHBondContact CA-O 3.21Å; L38-D52 HydrophobicContact CD2-CB 3.76Å; L38-A59 HydrophobicContact CD2-CB 4.38Å; L38-W74 HydrophobicContact CB-CH2 4.02Å; L38-W74 HydrophobicContact CB-CZ2 4.02Å; L38-W74 HydrophobicContact CD1-CH2 3.95Å; L38-W74 HydrophobicContact CD1-CZ3 4.48Å; L38-L402 HydrophobicContact CD1-CD2 3.91Å; L38-L402 HydrophobicContact CD1-CG 3.98Å
39L96.9Very high95.9Very high0 Ų016.1 Ų16.10%08%0.081CC..EExtended strand (participates in β ladder)trans-117.3113.5172-178.171.6000109.6L21 C30 F32 V41 I50 W51 F53 A311 V318L21-L39 HydrophobicContact CD1-CD2 4.24Å; C30-L39 HydrophobicContact CB-CD1 3.86Å; C30-L39 HydrophobicContact CB-CG 4.25Å; F32-L39 HydrophobicContact CD1-CB 4.48Å; F32-L39 HydrophobicContact CD1-CD1 4Å; F32-L39 HydrophobicContact CD2-CD1 4.02Å; F32-L39 HydrophobicContact CE1-CD1 4.03Å; F32-L39 HydrophobicContact CE2-CD1 4.02Å; F32-L39 HydrophobicContact CG-CD1 4Å; F32-L39 HydrophobicContact CZ-CD1 4.04Å; L39-V41 HydrophobicContact CD2-CG2 4.07Å; L39-V41 HydrophobicContact CG-CG2 4.01Å; L39-I50 WeakPolarHBondContact O-CA 2.96Å; L39-W51 PolarHBondContact N-O 2.79Å; L39-W51 PolarHBondContact O-N 3.11Å; L39-F53 HydrophobicContact CB-CE2 3.85Å; L39-F53 HydrophobicContact CD2-CE2 4.36Å; L39-A311 HydrophobicContact CD1-CB 4.46Å; L39-A311 HydrophobicContact CD2-CB 4.17Å; L39-V318 HydrophobicContact CD2-CG1 4.23Å
40A97.9Very high95.8Very high0 Ų015.3 Ų15.30%08%0.075CC..EExtended strand (participates in β ladder)trans-84127.3170.100000109.2C30 T31 I48 L72 W74 L81C30-A40 CarbonylContact C-O 3.58Å; C30-A40 WeakPolarHBondContact CA-O 3.43Å; T31-A40 HydrophobicContact CG2-CB 4.22Å; T31-A40 PolarHBondContact N-O 2.62Å; T31-A40 PolarHBondContact O-N 3.06Å; A40-I48 HydrophobicContact CB-CG2 4.23Å; A40-L72 HydrophobicContact CB-CD1 4.17Å; A40-W74 HydrophobicContact CB-CZ2 3.62Å; A40-L81 HydrophobicContact CB-CD1 3.93Å; A40-L81 HydrophobicContact CB-CD2 4.06Å
41V98.3Very high95.7Very high0 Ų015.6 Ų15.60%08%0.075CC..EExtended strand (participates in β ladder)trans-118.4122.6178.1-175.20000109.2I24 A27 T29 C30 L39 I48 V49 I313 V318I24-V41 HydrophobicContact CD1-CB 4.39Å; I24-V41 HydrophobicContact CD1-CG2 3.84Å; I24-V41 HydrophobicContact CG2-CB 4.27Å; I24-V41 HydrophobicContact CG2-CG1 3.92Å; A27-V41 HydrophobicContact CB-CG1 3.51Å; T29-V41 CarbonylContact O-C 3.55Å; T29-V41 WeakPolarHBondContact O-CA 3.31Å; C30-V41 HydrophobicContact CB-CG2 4.1Å; L39-V41 HydrophobicContact CD2-CG2 4.07Å; L39-V41 HydrophobicContact CG-CG2 4.01Å; V41-I48 CarbonylContact O-C 3.58Å; V41-I48 WeakPolarHBondContact O-CA 3.21Å; V41-V49 PolarHBondContact N-O 3.08Å; V41-V49 PolarHBondContact O-N 3.13Å; V41-I313 HydrophobicContact CG1-CD1 4.33Å; V41-V318 HydrophobicContact CG1-CG2 4.15Å; V41-V318 HydrophobicContact CG2-CG2 4.24Å
42G97.9Very high95.4Very high0 Ų015 Ų150%07%0.071CC..EExtended strand (participates in β ladder)trans-87.2125174.300000110.1L28 T29 L72L28-G42 PolarHBondContact N-O 3.44Å; T29-G42 PolarHBondContact N-O 3.38Å; T29-G42 PolarHBondContact O-N 3.49Å; G42-L72 VanDerWaalsContact N-CD1 3.3Å
43C97.3Very high95Very high0 Ų016.6 Ų16.60%08%0.078CC..EExtended strand (participates in β ladder)trans-101.6158.5-175-67.20000112.5S25 M26 D45 G46 R47 V69S25-C43 PolarHBondContact O-SG 3.34Å; S25-C43 VanDerWaalsContact O-SG 3.34Å; M26-C43 CarbonylContact O-C 3.58Å; M26-C43 VanDerWaalsContact O-CA 3.3Å; M26-C43 WeakPolarHBondContact O-CA 3.47Å; C43-D45 WeakPolarHBondContact CB-OD1 3.32Å; C43-D45 PolarHBondContact O-N 2.86Å; C43-G46 PolarHBondContact O-N 2.81Å; C43-G46 VanDerWaalsContact O-N 3.14Å; C43-R47 WeakPolarHBondContact CB-O 3.18Å; C43-R47 PolarHBondContact N-O 3.33Å; C43-V69 PolarHBondContact O-N 3.13Å; C43-V69 VanDerWaalsContact O-N 3.15Å
44N96.2Very high94.5Very high81 Ų8121.8 Ų21.843%0.43311%0.105SC..THydrogen-bonded Turntrans-67.6-19.2176.9-16237000113.4M26 L28 G46 P68M26-N44 HydrophobicContact CB-CB 3.83Å; M26-N44 PolarHBondContact O-N 3.15Å; L28-N44 HydrophobicContact CD1-CB 3.85Å; L28-N44 HydrophobicContact CD2-CB 4.5Å; L28-N44 HydrophobicContact CG-CB 4.11Å; N44-G46 VanDerWaalsContact C-N 3.27Å; N44-P68 WeakPolarHBondContact O-CG 3.45Å; N44-P68 WeakPolarHBondContact OD1-CB 3.01Å; N44-P68 WeakPolarHBondContact OD1-CG 3.24Å
45D95.1Very high94.3Very high49 Ų4924.1 Ų24.126%0.26212%0.124SC..THydrogen-bonded Turntrans-85.53.2174.563.28.1000113.4M26 C43 R47M26-D45 HydrophobicContact CE-CB 3.74Å; M26-D45 VanDerWaalsContact CE-OD2 3.26Å; M26-D45 WeakPolarHBondContact CE-OD2 3.09Å; C43-D45 WeakPolarHBondContact CB-OD1 3.32Å; C43-D45 PolarHBondContact O-N 2.86Å; D45-R47 VanDerWaalsContact C-N 3.34Å; D45-R47 WeakPolarHBondContact OD1-CB 3.45Å; D45-R47 PolarHBondContact OD1-N 3.42Å; D45-R47 IonicContact OD1-NE 2.71Å; D45-R47 IonicContact OD2-CZ 3.99Å; D45-R47 IonicContact OD2-NE 2.75Å; D45-R47 PolarHBondContact OD2-NE 2.99Å; D45-R47 IonicContact OD2-NH2 3.17Å; D45-R47 PolarHBondContact OD2-NH2 3.22Å
46G95.5Very high94.3Very high0 Ų031.7 Ų31.70%015%0.153CC..SBendtrans841.6-18000000115.1C43 N44 A64 H65 H67 V69C43-G46 PolarHBondContact O-N 2.81Å; C43-G46 VanDerWaalsContact O-N 3.14Å; N44-G46 VanDerWaalsContact C-N 3.27Å; G46-A64 WeakPolarHBondContact O-CB 3.09Å; G46-A64 PolarHBondContact O-N 2.75Å; G46-H65 CarbonylContact C-O 3.59Å; G46-H65 WeakPolarHBondContact CA-O 3.18Å; G46-H65 PolarHBondContact O-N 3.27Å; G46-H67 WeakPolarHBondContact CA-O 3.26Å; G46-V69 WeakPolarHBondContact O-CG2 3.35Å
47R97.4Very high94.3Very high78 Ų7832.7 Ų32.729%0.29416%0.162SC..EExtended strand (participates in β ladder)trans-79.9156172.9-62.7-173.6-66.5157.60.5111.9C43 D45 I62C43-R47 WeakPolarHBondContact CB-O 3.18Å; C43-R47 PolarHBondContact N-O 3.33Å; D45-R47 VanDerWaalsContact C-N 3.34Å; D45-R47 WeakPolarHBondContact OD1-CB 3.45Å; D45-R47 PolarHBondContact OD1-N 3.42Å; D45-R47 IonicContact OD1-NE 2.71Å; D45-R47 IonicContact OD2-CZ 3.99Å; D45-R47 IonicContact OD2-NE 2.75Å; D45-R47 PolarHBondContact OD2-NE 2.99Å; D45-R47 IonicContact OD2-NH2 3.17Å; D45-R47 PolarHBondContact OD2-NH2 3.22Å; R47-I62 WeakPolarHBondContact CA-O 3.48Å
48I97.9Very high94.3Very high0 Ų034.8 Ų34.80%017%0.172CC..EExtended strand (participates in β ladder)trans-112.3119.1165.2-56.1167.7000107A40 V41 I50 I62 A64 V69 L72 L81A40-I48 HydrophobicContact CB-CG2 4.23Å; V41-I48 CarbonylContact O-C 3.58Å; V41-I48 WeakPolarHBondContact O-CA 3.21Å; I48-I50 HydrophobicContact CG2-CG1 4.38Å; I48-I62 HydrophobicContact CB-CB 4.29Å; I48-I62 PolarHBondContact N-O 3.4Å; I48-I62 PolarHBondContact O-N 2.78Å; I48-A64 HydrophobicContact CD1-CB 3.55Å; I48-A64 HydrophobicContact CG1-CB 3.73Å; I48-V69 HydrophobicContact CG1-CG2 4.33Å; I48-L72 HydrophobicContact CD1-CD2 3.7Å; I48-L72 HydrophobicContact CG1-CD2 4.05Å; I48-L72 HydrophobicContact CG2-CD1 4.29Å; I48-L72 HydrophobicContact CG2-CD2 4.37Å; I48-L81 HydrophobicContact CG2-CD1 4.29Å
49V97.2Very high94.2Very high5 Ų536.4 Ų36.43%0.0319%0.186CC..EExtended strand (participates in β ladder)trans-102.2123.1175.2-177.40000107.9I24 V41 I58I24-V49 HydrophobicContact CD1-CG1 4.3Å; I24-V49 HydrophobicContact CG1-CG1 4.08Å; V41-V49 PolarHBondContact N-O 3.08Å; V41-V49 PolarHBondContact O-N 3.13Å; V49-I58 HydrophobicContact CG1-CD1 4.03Å; V49-I58 HydrophobicContact CG1-CG1 3.97Å; V49-I58 HydrophobicContact CG1-CG2 3.92Å
50I96.8Very high94Very high0 Ų039.7 Ų39.70%020%0.2CC..EExtended strand (participates in β ladder)trans-102.1117.2176.6-54.4-177.2000107.5L38 L39 I48 A59 K60 I62 W74 L81 V95 L402L38-I50 HydrophobicContact CB-CG2 4.06Å; L38-I50 HydrophobicContact CD1-CG2 4.24Å; L38-I50 HydrophobicContact CD2-CG2 4.23Å; L38-I50 HydrophobicContact CG-CG2 4.41Å; L39-I50 WeakPolarHBondContact O-CA 2.96Å; I48-I50 HydrophobicContact CG2-CG1 4.38Å; I50-A59 PolarHBondContact O-N 2.84Å; I50-K60 HydrophobicContact CB-CB 4.08Å; I50-K60 HydrophobicContact CD1-CB 4.13Å; I50-K60 HydrophobicContact CG1-CB 4.32Å; I50-K60 PolarHBondContact N-O 3.19Å; I50-K60 PolarHBondContact O-N 2.74Å; I50-I62 HydrophobicContact CD1-CD1 4.16Å; I50-W74 HydrophobicContact CD1-CH2 4.06Å; I50-W74 HydrophobicContact CG2-CH2 4.05Å; I50-W74 HydrophobicContact CG2-CZ2 4.25Å; I50-L81 HydrophobicContact CD1-CD1 3.84Å; I50-L81 HydrophobicContact CG1-CD1 4.41Å; I50-V95 HydrophobicContact CD1-CG1 3.72Å; I50-L402 HydrophobicContact CG2-CD1 4.46Å
51W95Very high93.9Very high13 Ų1343.4 Ų43.45%0.04922%0.219CC..EExtended strand (participates in β ladder)trans-106.2138-179.7-167.488.7000110.2L21 C23 I24 L38 L39 F53 R56 G57L21-W51 HydrophobicContact CD1-CD2 3.82Å; L21-W51 HydrophobicContact CD1-CE3 4.12Å; L21-W51 HydrophobicContact CD1-CG 4Å; L21-W51 HydrophobicContact CD2-CD2 4.23Å; L21-W51 HydrophobicContact CD2-CH2 3.81Å; L21-W51 HydrophobicContact CD2-CZ2 3.45Å; L21-W51 VanDerWaalsContact CD2-CZ2 3.45Å; L21-W51 HydrophobicContact CD2-CZ3 4.31Å; C23-W51 VanDerWaalsContact SG-CD1 3.53Å; I24-W51 HydrophobicContact CD1-CB 3.99Å; I24-W51 HydrophobicContact CD1-CG 4.25Å; L38-W51 CarbonylContact C-O 3.56Å; L38-W51 WeakPolarHBondContact CA-O 3.21Å; L39-W51 PolarHBondContact N-O 2.79Å; L39-W51 PolarHBondContact O-N 3.11Å; W51-F53 AromaticContact CE3-CD2 3.65Å; W51-F53 HydrophobicContact CE3-CD2 3.65Å; W51-F53 AromaticContact CE3-CE2 3.69Å; W51-F53 HydrophobicContact CE3-CE2 3.69Å; W51-F53 HydrophobicContact CE3-CG 4.16Å; W51-F53 HydrophobicContact CE3-CZ 4.29Å; W51-F53 VanDerWaalsContact CZ3-CA 3.47Å; W51-F53 HydrophobicContact CZ3-CB 4.12Å; W51-F53 AromaticContact CZ3-CD1 3.78Å; W51-F53 HydrophobicContact CZ3-CD1 3.78Å; W51-F53 AromaticContact CZ3-CD2 3.5Å; W51-F53 HydrophobicContact CZ3-CD2 3.5Å; W51-F53 AromaticContact CZ3-CE1 3.93Å; W51-F53 HydrophobicContact CZ3-CE1 3.93Å; W51-F53 AromaticContact CZ3-CE2 3.62Å; W51-F53 HydrophobicContact CZ3-CE2 3.62Å; W51-F53 AromaticContact CZ3-CG 3.56Å; W51-F53 HydrophobicContact CZ3-CG 3.56Å; W51-F53 AromaticContact CZ3-CZ 3.84Å; W51-F53 HydrophobicContact CZ3-CZ 3.84Å; W51-R56 VanDerWaalsContact CE2-C 3.5Å; W51-R56 HydrophobicContact CH2-CB 4.04Å; W51-R56 HydrophobicContact CH2-CG 4.02Å; W51-R56 HydrophobicContact CZ2-CB 3.74Å; W51-R56 HydrophobicContact CZ2-CG 4.24Å; W51-R56 WeakPolarHBondContact CZ2-O 3.24Å; W51-R56 PolarHBondContact NE1-O 3.36Å; W51-G57 WeakPolarHBondContact CA-O 3.45Å; W51-G57 VanDerWaalsContact CD1-O 3.26Å
52D92.9Very high93.8Very high15 Ų1543.6 Ų43.68%0.0822%0.22CC..EExtended strand (participates in β ladder)trans-104.5126.3-179.1169.331.8000111.1L38 L54 T55 R56 G57 A59L38-D52 HydrophobicContact CD2-CB 3.76Å; D52-L54 VanDerWaalsContact C-N 3.31Å; D52-L54 PolarHBondContact O-N 3.2Å; D52-L54 PolarHBondContact OD1-N 3.18Å; D52-T55 WeakPolarHBondContact CB-OG1 3.47Å; D52-T55 WeakPolarHBondContact OD2-CB 3.41Å; D52-T55 VanDerWaalsContact OD2-CG2 3.23Å; D52-T55 WeakPolarHBondContact OD2-CG2 3.49Å; D52-T55 PolarHBondContact OD2-N 3.11Å; D52-T55 VanDerWaalsContact OD2-N 3.11Å; D52-T55 PolarHBondContact OD2-OG1 2.48Å; D52-R56 VanDerWaalsContact O-CA 3.26Å; D52-R56 WeakPolarHBondContact O-CA 3.16Å; D52-R56 PolarHBondContact O-N 3.33Å; D52-G57 PolarHBondContact N-O 3.28Å; D52-G57 PolarHBondContact O-N 2.71Å; D52-A59 HydrophobicContact CB-CB 3.91Å
53F88.1Confident93.8Very high38 Ų3848.5 Ų48.517%0.16725%0.254CS..THydrogen-bonded Turntrans-69.7-25.4-179.6-90-98.3000113.5F32 T37 L39 W51 I309 I320F32-F53 HydrophobicContact CD1-CE2 4.18Å; F32-F53 HydrophobicContact CE1-CD2 4.24Å; F32-F53 HydrophobicContact CE1-CE1 4.41Å; F32-F53 AromaticContact CE1-CE2 3.41Å; F32-F53 HydrophobicContact CE1-CE2 3.41Å; F32-F53 VanDerWaalsContact CE1-CE2 3.41Å; F32-F53 AromaticContact CE1-CZ 3.51Å; F32-F53 HydrophobicContact CE1-CZ 3.51Å; F32-F53 HydrophobicContact CZ-CE2 4.26Å; F32-F53 AromaticContact CZ-CZ 3.99Å; F32-F53 HydrophobicContact CZ-CZ 3.99Å; T37-F53 PolarHBondContact O-N 2.83Å; L39-F53 HydrophobicContact CB-CE2 3.85Å; L39-F53 HydrophobicContact CD2-CE2 4.36Å; W51-F53 AromaticContact CE3-CD2 3.65Å; W51-F53 HydrophobicContact CE3-CD2 3.65Å; W51-F53 AromaticContact CE3-CE2 3.69Å; W51-F53 HydrophobicContact CE3-CE2 3.69Å; W51-F53 HydrophobicContact CE3-CG 4.16Å; W51-F53 HydrophobicContact CE3-CZ 4.29Å; W51-F53 VanDerWaalsContact CZ3-CA 3.47Å; W51-F53 HydrophobicContact CZ3-CB 4.12Å; W51-F53 AromaticContact CZ3-CD1 3.78Å; W51-F53 HydrophobicContact CZ3-CD1 3.78Å; W51-F53 AromaticContact CZ3-CD2 3.5Å; W51-F53 HydrophobicContact CZ3-CD2 3.5Å; W51-F53 AromaticContact CZ3-CE1 3.93Å; W51-F53 HydrophobicContact CZ3-CE1 3.93Å; W51-F53 AromaticContact CZ3-CE2 3.62Å; W51-F53 HydrophobicContact CZ3-CE2 3.62Å; W51-F53 AromaticContact CZ3-CG 3.56Å; W51-F53 HydrophobicContact CZ3-CG 3.56Å; W51-F53 AromaticContact CZ3-CZ 3.84Å; W51-F53 HydrophobicContact CZ3-CZ 3.84Å; F53-I309 HydrophobicContact CE1-CG2 4.27Å; F53-I320 HydrophobicContact CZ-CD1 4.08Å
54L84.9Confident93.7Very high110 Ų11049 Ų4958%0.57626%0.258SS*.THydrogen-bonded Turntrans-79.3-51.5-179-63.7178.7000111.4M1 D52 R56M1-L54 HydrophobicContact CE-CD2 3.95Å; D52-L54 VanDerWaalsContact C-N 3.31Å; D52-L54 PolarHBondContact O-N 3.2Å; D52-L54 PolarHBondContact OD1-N 3.18Å; L54-R56 VanDerWaalsContact C-N 3.26Å; L54-R56 PolarHBondContact O-N 2.91Å
55T87.4Confident93.6Very high87 Ų8746.2 Ų46.253%0.53424%0.243SC..THydrogen-bonded Turntrans-78.9-10.8177.7570000113.5D52 G57D52-T55 WeakPolarHBondContact CB-OG1 3.47Å; D52-T55 WeakPolarHBondContact OD2-CB 3.41Å; D52-T55 VanDerWaalsContact OD2-CG2 3.23Å; D52-T55 WeakPolarHBondContact OD2-CG2 3.49Å; D52-T55 PolarHBondContact OD2-N 3.11Å; D52-T55 VanDerWaalsContact OD2-N 3.11Å; D52-T55 PolarHBondContact OD2-OG1 2.48Å; T55-G57 PolarHBondContact O-N 2.83Å
56R88.5Confident93.7Very high165 Ų16551.2 Ų51.262%0.62327%0.268SS*.THydrogen-bonded Turntrans52.833.8-171-64.4-170.4165.8-160.3-8.7113.1D18 W51 D52 L54D18-R56 IonicContact OD2-NH2 3.37Å; W51-R56 VanDerWaalsContact CE2-C 3.5Å; W51-R56 HydrophobicContact CH2-CB 4.04Å; W51-R56 HydrophobicContact CH2-CG 4.02Å; W51-R56 HydrophobicContact CZ2-CB 3.74Å; W51-R56 HydrophobicContact CZ2-CG 4.24Å; W51-R56 WeakPolarHBondContact CZ2-O 3.24Å; W51-R56 PolarHBondContact NE1-O 3.36Å; D52-R56 VanDerWaalsContact O-CA 3.26Å; D52-R56 WeakPolarHBondContact O-CA 3.16Å; D52-R56 PolarHBondContact O-N 3.33Å; L54-R56 VanDerWaalsContact C-N 3.26Å; L54-R56 PolarHBondContact O-N 2.91Å
57G90.6Very high93.7Very high21 Ų2154.9 Ų54.922%0.21629%0.285CS..EExtended strand (participates in β ladder)trans-134.7172.7-171.900000113.9W51 D52 T55 A59W51-G57 WeakPolarHBondContact CA-O 3.45Å; W51-G57 VanDerWaalsContact CD1-O 3.26Å; D52-G57 PolarHBondContact N-O 3.28Å; D52-G57 PolarHBondContact O-N 2.71Å; T55-G57 PolarHBondContact O-N 2.83Å; G57-A59 PolarHBondContact O-N 2.88Å
58I93.2Very high93.7Very high69 Ų6951.8 Ų51.835%0.35428%0.275SS..EExtended strand (participates in β ladder)trans-75.9119.5172-61.3175.5000108.4C23 V49 I61C23-I58 HydrophobicContact CB-CD1 3.88Å; C23-I58 HydrophobicContact CB-CG1 4.06Å; V49-I58 HydrophobicContact CG1-CD1 4.03Å; V49-I58 HydrophobicContact CG1-CG1 3.97Å; V49-I58 HydrophobicContact CG1-CG2 3.92Å; I58-I61 HydrophobicContact CD1-CD1 4.48Å; I58-I61 HydrophobicContact CG2-CD1 4.22Å; I58-I61 HydrophobicContact CG2-CG1 3.7Å
59A92.7Very high93.7Very high34 Ų3451.8 Ų51.828%0.28128%0.275SS..EExtended strand (participates in β ladder)trans-88.9-32.2176.700000112.4L38 I50 D52 G57 L402L38-A59 HydrophobicContact CD2-CB 4.38Å; I50-A59 PolarHBondContact O-N 2.84Å; D52-A59 HydrophobicContact CB-CB 3.91Å; G57-A59 PolarHBondContact O-N 2.88Å; A59-L402 HydrophobicContact CB-CD1 3.69Å; A59-L402 HydrophobicContact CB-CG 4.24Å
60K93.9Very high93.6Very high68 Ų6852.4 Ų52.430%0.29628%0.279SS..EExtended strand (participates in β ladder)trans-155.7150.3177.9-15977.9-178.5-165.60112.1I50 I62 L96 L402I50-K60 HydrophobicContact CB-CB 4.08Å; I50-K60 HydrophobicContact CD1-CB 4.13Å; I50-K60 HydrophobicContact CG1-CB 4.32Å; I50-K60 PolarHBondContact N-O 3.19Å; I50-K60 PolarHBondContact O-N 2.74Å; K60-I62 HydrophobicContact CG-CG1 4.24Å; K60-L96 WeakPolarHBondContact CE-O 3.33Å; K60-L96 PolarHBondContact NZ-O 2.71Å; K60-L402 HydrophobicContact CB-CD1 3.77Å
61I95.7Very high93.7Very high79 Ų7953 Ų5341%0.40528%0.283SS..EExtended strand (participates in β ladder)trans-123.9125.2167.1-57.1178.7000108.3I58I58-I61 HydrophobicContact CD1-CD1 4.48Å; I58-I61 HydrophobicContact CG2-CD1 4.22Å; I58-I61 HydrophobicContact CG2-CG1 3.7Å
62I96.4Very high93.8Very high3 Ų353 Ų532%0.01528%0.284CS..EExtended strand (participates in β ladder)trans-111.9119.6176.9-56.1176.1000108.5R47 I48 I50 K60 A64 W93R47-I62 WeakPolarHBondContact CA-O 3.48Å; I48-I62 HydrophobicContact CB-CB 4.29Å; I48-I62 PolarHBondContact N-O 3.4Å; I48-I62 PolarHBondContact O-N 2.78Å; I50-I62 HydrophobicContact CD1-CD1 4.16Å; K60-I62 HydrophobicContact CG-CG1 4.24Å; I62-A64 HydrophobicContact CG2-CB 4.27Å; I62-A64 PolarHBondContact O-N 3.47Å; I62-W93 HydrophobicContact CD1-CB 4.33Å; I62-W93 HydrophobicContact CG2-CD2 3.92Å; I62-W93 HydrophobicContact CG2-CE3 3.49Å; I62-W93 VanDerWaalsContact CG2-CE3 3.49Å; I62-W93 HydrophobicContact CG2-CG 4.43Å; I62-W93 HydrophobicContact CG2-CZ3 3.95Å
63S96.4Very high94.1Very high103 Ų10353.4 Ų53.472%0.7229%0.288SS*.EExtended strand (participates in β ladder)trans-75.178.6171.1-62.20000109.9
64A95.8Very high94.5Very high11 Ų1152.4 Ų52.49%0.09128%0.283CS..  trans-80.2-53.5-166.100000113.5G46 I48 I62 W93G46-A64 WeakPolarHBondContact O-CB 3.09Å; G46-A64 PolarHBondContact O-N 2.75Å; I48-A64 HydrophobicContact CD1-CB 3.55Å; I48-A64 HydrophobicContact CG1-CB 3.73Å; I62-A64 HydrophobicContact CG2-CB 4.27Å; I62-A64 PolarHBondContact O-N 3.47Å; A64-W93 HydrophobicContact CB-CD2 4.39Å; A64-W93 HydrophobicContact CB-CH2 3.97Å; A64-W93 HydrophobicContact CB-CZ2 3.47Å; A64-W93 VanDerWaalsContact CB-CZ2 3.47Å; A64-W93 WeakPolarHBondContact O-CH2 3.39Å; A64-W93 WeakPolarHBondContact O-CZ2 3.32Å
65H95Very high95.1Very high22 Ų2247.2 Ų47.210%0.10226%0.256CS..  trans-134.5166.3-175.2-60.6-78.4000110.3G46 H67 S83 S85 S91G46-H65 CarbonylContact C-O 3.59Å; G46-H65 WeakPolarHBondContact CA-O 3.18Å; G46-H65 PolarHBondContact O-N 3.27Å; H65-H67 WeakPolarHBondContact CB-O 3.27Å; H65-S83 PolarHBondContact NE2-OG 3.22Å; H65-S85 VanDerWaalsContact CG-CB 3.41Å; H65-S91 PolarHBondContact CE1-OG 2.8Å
66I95.6Very high95.3Very high154 Ų15445.5 Ų45.579%0.7924%0.24SC*.SBendtrans-87.8-27.1168.7-62.3169.6000110
67H95.9Very high95.5Very high78 Ų7838.9 Ų38.936%0.36122%0.217SC..SBendtrans-99.2156.6-178.1-79.5-95.1000111G46 H65 V69 S85 D87G46-H67 WeakPolarHBondContact CA-O 3.26Å; H65-H67 WeakPolarHBondContact CB-O 3.27Å; H67-V69 PolarHBondContact O-N 3.44Å; H67-S85 WeakPolarHBondContact CB-OG 3.4Å; H67-S85 PolarHBondContact O-OG 3.36Å; H67-D87 HydrophobicContact CB-CB 4.01Å; H67-D87 IonicContact CD2-OD2 2.72Å
68P97Very high95.7Very high13 Ų1337.9 Ų37.98%0.08421%0.207CC..PPolyproline II helixtrans-49.7134.6-179.9-27.327.7000113.7L28 N44 S85 T86 L471L28-P68 HydrophobicContact CD1-CB 3.66Å; N44-P68 WeakPolarHBondContact O-CG 3.45Å; N44-P68 WeakPolarHBondContact OD1-CB 3.01Å; N44-P68 WeakPolarHBondContact OD1-CG 3.24Å; P68-S85 WeakPolarHBondContact O-CA 3.41Å; P68-T86 HydrophobicContact CB-CG2 4.01Å; P68-T86 VanDerWaalsContact CD-OG1 3.3Å; P68-T86 WeakPolarHBondContact CD-OG1 3.31Å; P68-T86 HydrophobicContact CG-CG2 4.48Å; P68-T86 PolarHBondContact O-N 2.79Å; P68-L471 HydrophobicContact CG-CD2 4.21Å
69V97.9Very high95.8Very high0 Ų037 Ų370%020%0.201CC..EExtended strand (participates in β ladder)trans-81.7116.3174.7-1720000109.3C43 G46 I48 H67 L72C43-V69 PolarHBondContact O-N 3.13Å; C43-V69 VanDerWaalsContact O-N 3.15Å; G46-V69 WeakPolarHBondContact O-CG2 3.35Å; I48-V69 HydrophobicContact CG1-CG2 4.33Å; H67-V69 PolarHBondContact O-N 3.44Å; V69-L72 HydrophobicContact CG1-CD2 4.01Å; V69-L72 HydrophobicContact CG1-CG 3.99Å
70C96.7Very high95.9Very high18 Ų1837.4 Ų37.412%0.12220%0.196CC..EExtended strand (participates in β ladder)trans-102.1-18.6-174.164.80000114.3A84 T86 I110 L470C70-A84 PolarHBondContact N-O 3.33Å; C70-A84 PolarHBondContact SG-O 2.93Å; C70-A84 VanDerWaalsContact SG-O 3.39Å; C70-T86 HydrophobicContact CB-CG2 4.28Å; C70-I110 PolarHBondContact SG-O 3.1Å; C70-I110 VanDerWaalsContact SG-O 3.34Å; C70-L470 HydrophobicContact CB-CD1 3.51Å
71S97.6Very high96.1Very high11 Ų1134.2 Ų34.28%0.07718%0.182CC..EExtended strand (participates in β ladder)trans-151.6142.4179.1-171.10000111S83 A84 V113S71-S83 WeakPolarHBondContact O-CA 3.15Å; S71-A84 PolarHBondContact N-O 2.8Å; S71-A84 PolarHBondContact O-N 3.16Å; S71-V113 PolarHBondContact OG-N 2.83Å; S71-V113 VanDerWaalsContact OG-N 3.08Å
72L98.2Very high96.2Very high13 Ų1330.5 Ų30.57%0.06816%0.163CC..EExtended strand (participates in β ladder)trans-136.5146.2179.2-74.3170.6000110.3T29 T31 A40 G42 I48 V69 V82 S83T29-L72 HydrophobicContact CG2-CD1 4.2Å; T29-L72 HydrophobicContact CG2-CG 4.27Å; T31-L72 HydrophobicContact CG2-CB 3.55Å; A40-L72 HydrophobicContact CB-CD1 4.17Å; G42-L72 VanDerWaalsContact N-CD1 3.3Å; I48-L72 HydrophobicContact CD1-CD2 3.7Å; I48-L72 HydrophobicContact CG1-CD2 4.05Å; I48-L72 HydrophobicContact CG2-CD1 4.29Å; I48-L72 HydrophobicContact CG2-CD2 4.37Å; V69-L72 HydrophobicContact CG1-CD2 4.01Å; V69-L72 HydrophobicContact CG1-CG 3.99Å; L72-V82 WeakPolarHBondContact CA-O 3.28Å; L72-S83 VanDerWaalsContact CD2-CB 3.43Å
73C98.1Very high96.3Very high24 Ų2430.4 Ų30.416%0.16216%0.163CC..EExtended strand (participates in β ladder)trans-149.4135.1169.9-173.80000110.4V82 Y115C73-V82 HydrophobicContact CB-CG1 3.72Å; C73-V82 PolarHBondContact N-O 2.94Å; C73-V82 PolarHBondContact O-N 2.89Å; C73-Y115 HydrophobicContact CB-CD2 4.24Å; C73-Y115 WeakPolarHBondContact O-CD2 3.22Å; C73-Y115 VanDerWaalsContact O-CE2 3.27Å; C73-Y115 WeakPolarHBondContact O-CE2 3.38Å; C73-Y115 PolarHBondContact SG-N 2.93Å
74W97.6Very high96.4Very high17 Ų1725.5 Ų25.56%0.06413%0.128CC..EExtended strand (participates in β ladder)trans-82.8146.4174.6-70.490.1000111.3T31 F32 N33 L38 A40 I50 G78 L81 V95 Y115T31-W74 PolarHBondContact O-NE1 2.97Å; F32-W74 VanDerWaalsContact C-CD1 3.45Å; N33-W74 HydrophobicContact CB-CD2 3.79Å; N33-W74 HydrophobicContact CB-CE3 4.08Å; N33-W74 HydrophobicContact CB-CG 4.12Å; N33-W74 HydrophobicContact CB-CH2 4.5Å; N33-W74 HydrophobicContact CB-CZ2 4.25Å; N33-W74 HydrophobicContact CB-CZ3 4.4Å; L38-W74 HydrophobicContact CB-CH2 4.02Å; L38-W74 HydrophobicContact CB-CZ2 4.02Å; L38-W74 HydrophobicContact CD1-CH2 3.95Å; L38-W74 HydrophobicContact CD1-CZ3 4.48Å; A40-W74 HydrophobicContact CB-CZ2 3.62Å; I50-W74 HydrophobicContact CD1-CH2 4.06Å; I50-W74 HydrophobicContact CG2-CH2 4.05Å; I50-W74 HydrophobicContact CG2-CZ2 4.25Å; W74-G78 WeakPolarHBondContact CZ3-O 3.45Å; W74-L81 HydrophobicContact CB-CD2 4.38Å; W74-L81 HydrophobicContact CD2-CD1 4.49Å; W74-L81 HydrophobicContact CD2-CD2 3.52Å; W74-L81 HydrophobicContact CD2-CG 3.93Å; W74-L81 HydrophobicContact CE3-CD1 4.44Å; W74-L81 HydrophobicContact CE3-CD2 4.01Å; W74-L81 HydrophobicContact CE3-CG 3.89Å; W74-L81 HydrophobicContact CG-CD2 3.67Å; W74-L81 HydrophobicContact CH2-CD1 4.12Å; W74-L81 HydrophobicContact CH2-CG 4.45Å; W74-L81 HydrophobicContact CZ2-CD1 4.14Å; W74-L81 HydrophobicContact CZ2-CD2 4.35Å; W74-L81 HydrophobicContact CZ2-CG 4.47Å; W74-L81 HydrophobicContact CZ3-CD1 4.28Å; W74-L81 HydrophobicContact CZ3-CG 4.18Å; W74-V95 HydrophobicContact CE3-CG2 4.13Å; W74-V95 HydrophobicContact CH2-CG1 4.1Å; W74-V95 HydrophobicContact CH2-CG2 4.24Å; W74-V95 HydrophobicContact CZ3-CB 4.29Å; W74-V95 HydrophobicContact CZ3-CG1 3.9Å; W74-V95 HydrophobicContact CZ3-CG2 3.53Å; W74-Y115 VanDerWaalsContact O-CD2 3.32Å; W74-Y115 WeakPolarHBondContact O-CD2 3.45Å
75S96.1Very high96.4Very high2 Ų225 Ų251%0.01412%0.124CC..  trans-65.8160162.759.30000110.9D77 G78 H79 K80 Q120S75-D77 VanDerWaalsContact C-N 3.27Å; S75-D77 WeakPolarHBondContact CB-OD1 3.2Å; S75-D77 PolarHBondContact O-N 2.91Å; S75-D77 PolarHBondContact OG-OD1 2.85Å; S75-G78 PolarHBondContact O-N 2.89Å; S75-G78 PolarHBondContact OG-N 3.35Å; S75-H79 PolarHBondContact OG-N 2.78Å; S75-K80 PolarHBondContact N-O 2.96Å; S75-K80 PolarHBondContact OG-N 3.04Å; S75-K80 PolarHBondContact OG-O 3.09Å; S75-Q120 VanDerWaalsContact CB-OE1 3.29Å
76R93Very high96.4Very high51 Ų5124.3 Ų24.319%0.19212%0.122CC..THydrogen-bonded Turntrans-56.8-40.1179.6-176.2-179.9-165.763.110.1112.9R34 G78 P117 E391R34-R76 WeakPolarHBondContact CD-O 3.37Å; R34-R76 VanDerWaalsContact CZ-NH2 3.32Å; R34-R76 VanDerWaalsContact NH1-CZ 3.34Å; R34-R76 VanDerWaalsContact NH2-NH2 3.16Å; R76-G78 VanDerWaalsContact C-N 3.31Å; R76-P117 VanDerWaalsContact CD-O 3.28Å; R76-P117 WeakPolarHBondContact CD-O 3.45Å; R76-P117 PolarHBondContact NH1-O 3.35Å; R76-E391 IonicContact CZ-OE1 3.87Å; R76-E391 IonicContact CZ-OE2 3.39Å; R76-E391 IonicContact NE-OE1 2.83Å; R76-E391 IonicContact NH2-OE1 3.91Å; R76-E391 PolarHBondContact NH2-OE1 2.83Å; R76-E391 IonicContact NH2-OE2 2.69Å; R76-E391 PolarHBondContact NH2-OE2 2.84Å
77D91.9Very high96.2Very high26 Ų2619 Ų1914%0.13910%0.095CC..THydrogen-bonded Turntrans-81.2-9.3179.564.34.6000113.4S75 H79 Q120 L399S75-D77 VanDerWaalsContact C-N 3.27Å; S75-D77 WeakPolarHBondContact CB-OD1 3.2Å; S75-D77 PolarHBondContact O-N 2.91Å; S75-D77 PolarHBondContact OG-OD1 2.85Å; D77-H79 VanDerWaalsContact C-N 3.28Å; D77-H79 PolarHBondContact O-CD2 3.29Å; D77-H79 PolarHBondContact O-N 3.04Å; D77-H79 IonicContact OD1-CD2 2.63Å; D77-H79 PolarHBondContact OD1-N 3.33Å; D77-H79 IonicContact OD2-CD2 3.62Å; D77-Q120 PolarHBondContact OD1-NE2 3.23Å; D77-Q120 PolarHBondContact OD1-OE1 3.33Å; D77-Q120 PolarHBondContact OD2-NE2 3.08Å; D77-Q120 PolarHBondContact OD2-OE1 2.82Å; D77-L399 WeakPolarHBondContact O-CB 3.46Å; D77-L399 PolarHBondContact O-N 2.54Å
78G94.3Very high96.2Very high0 Ų016.6 Ų16.60%09%0.085CC..SBendtrans77.4-1.7-177.400000115.8W74 S75 R76 L399W74-G78 WeakPolarHBondContact CZ3-O 3.45Å; S75-G78 PolarHBondContact O-N 2.89Å; S75-G78 PolarHBondContact OG-N 3.35Å; R76-G78 VanDerWaalsContact C-N 3.31Å; G78-L399 VanDerWaalsContact O-CD2 3.28Å; G78-L399 WeakPolarHBondContact O-CD2 3.33Å
79H95.5Very high96.1Very high51 Ų5116.5 Ų16.524%0.2368%0.083CC..SBendtrans-79.5-21.4-178.4-73.9-92.1000113.6S75 D77 V95 K397S75-H79 PolarHBondContact OG-N 2.78Å; D77-H79 VanDerWaalsContact C-N 3.28Å; D77-H79 PolarHBondContact O-CD2 3.29Å; D77-H79 PolarHBondContact O-N 3.04Å; D77-H79 IonicContact OD1-CD2 2.63Å; D77-H79 PolarHBondContact OD1-N 3.33Å; D77-H79 IonicContact OD2-CD2 3.62Å; H79-V95 WeakPolarHBondContact O-CB 3.33Å; H79-V95 WeakPolarHBondContact O-CG2 3.21Å; H79-V95 PolarHBondContact O-N 3.14Å; H79-K397 PolarHBondContact NE2-O 3.15Å
80K96.4Very high96.1Very high42 Ų4216.6 Ų16.618%0.1838%0.084CC..EExtended strand (participates in β ladder)trans-121145.7-176.8-53.6-62.3-174.9-178.80111.9S75 W93 D94 D101S75-K80 PolarHBondContact N-O 2.96Å; S75-K80 PolarHBondContact OG-N 3.04Å; S75-K80 PolarHBondContact OG-O 3.09Å; K80-W93 CarbonylContact C-O 3.57Å; K80-W93 VanDerWaalsContact CA-O 3.25Å; K80-W93 WeakPolarHBondContact CA-O 3.38Å; K80-D94 IonicContact NZ-OD1 2.89Å; K80-D94 PolarHBondContact NZ-OD1 2.8Å; K80-D101 WeakPolarHBondContact CD-OD2 3.23Å; K80-D101 VanDerWaalsContact CE-OD2 3.26Å; K80-D101 WeakPolarHBondContact CE-OD2 3.25Å; K80-D101 IonicContact NZ-OD1 3.46Å; K80-D101 IonicContact NZ-OD2 2.74Å; K80-D101 PolarHBondContact NZ-OD2 2.91Å
81L97.6Very high96.1Very high0 Ų015.8 Ų15.80%08%0.079CC..EExtended strand (participates in β ladder)trans-121.2135170-88.4169000109.3A40 I48 I50 W74 Q92 W93 V95A40-L81 HydrophobicContact CB-CD1 3.93Å; A40-L81 HydrophobicContact CB-CD2 4.06Å; I48-L81 HydrophobicContact CG2-CD1 4.29Å; I50-L81 HydrophobicContact CD1-CD1 3.84Å; I50-L81 HydrophobicContact CG1-CD1 4.41Å; W74-L81 HydrophobicContact CB-CD2 4.38Å; W74-L81 HydrophobicContact CD2-CD1 4.49Å; W74-L81 HydrophobicContact CD2-CD2 3.52Å; W74-L81 HydrophobicContact CD2-CG 3.93Å; W74-L81 HydrophobicContact CE3-CD1 4.44Å; W74-L81 HydrophobicContact CE3-CD2 4.01Å; W74-L81 HydrophobicContact CE3-CG 3.89Å; W74-L81 HydrophobicContact CG-CD2 3.67Å; W74-L81 HydrophobicContact CH2-CD1 4.12Å; W74-L81 HydrophobicContact CH2-CG 4.45Å; W74-L81 HydrophobicContact CZ2-CD1 4.14Å; W74-L81 HydrophobicContact CZ2-CD2 4.35Å; W74-L81 HydrophobicContact CZ2-CG 4.47Å; W74-L81 HydrophobicContact CZ3-CD1 4.28Å; W74-L81 HydrophobicContact CZ3-CG 4.18Å; L81-Q92 CarbonylContact O-C 3.57Å; L81-Q92 WeakPolarHBondContact O-CA 3.33Å; L81-W93 HydrophobicContact CB-CB 4.35Å; L81-W93 PolarHBondContact N-O 2.83Å; L81-W93 PolarHBondContact O-N 3.13Å; L81-V95 HydrophobicContact CB-CG2 4.3Å; L81-V95 HydrophobicContact CD1-CG2 3.94Å; L81-V95 HydrophobicContact CG-CG2 3.88Å
82V97.9Very high96.1Very high2 Ų216.1 Ų16.11%0.0128%0.079CC..EExtended strand (participates in β ladder)trans-104134.7164.766.30000108.4L72 C73 V90 S91 V113 Y115 V123L72-V82 WeakPolarHBondContact CA-O 3.28Å; C73-V82 HydrophobicContact CB-CG1 3.72Å; C73-V82 PolarHBondContact N-O 2.94Å; C73-V82 PolarHBondContact O-N 2.89Å; V82-V90 HydrophobicContact CG2-CG1 3.58Å; V82-S91 WeakPolarHBondContact CA-O 3.35Å; V82-V113 HydrophobicContact CG1-CB 4.16Å; V82-V113 HydrophobicContact CG1-CG2 3.89Å; V82-V113 HydrophobicContact CG2-CB 4.37Å; V82-V113 HydrophobicContact CG2-CG2 4.34Å; V82-Y115 HydrophobicContact CB-CD2 4.3Å; V82-Y115 HydrophobicContact CB-CE2 3.62Å; V82-Y115 HydrophobicContact CG1-CD2 3.64Å; V82-Y115 HydrophobicContact CG1-CE2 3.46Å; V82-Y115 VanDerWaalsContact CG1-CE2 3.46Å; V82-Y115 HydrophobicContact CG1-CG 4.36Å; V82-V123 HydrophobicContact CG1-CG1 4.38Å; V82-V123 HydrophobicContact CG2-CG1 4.19Å
83S98.1Very high96.1Very high0 Ų016.2 Ų16.20%08%0.079CC..EExtended strand (participates in β ladder)trans-129.7145.3178.371.50000111.5H65 S71 L72 V90 S91 W93H65-S83 PolarHBondContact NE2-OG 3.22Å; S71-S83 WeakPolarHBondContact O-CA 3.15Å; L72-S83 VanDerWaalsContact CD2-CB 3.43Å; S83-V90 CarbonylContact O-C 3.52Å; S83-V90 VanDerWaalsContact O-CA 3.28Å; S83-V90 WeakPolarHBondContact O-CA 3.32Å; S83-S91 PolarHBondContact N-O 3.36Å; S83-S91 PolarHBondContact O-N 3.18Å; S83-W93 PolarHBondContact OG-NE1 3.13Å
84A97.8Very high95.9Very high0 Ų016.3 Ų16.30%08%0.077CC..EExtended strand (participates in β ladder)trans-115.8140.3170.600000110.5C70 S71 I89 V90 I110 V113C70-A84 PolarHBondContact N-O 3.33Å; C70-A84 PolarHBondContact SG-O 2.93Å; C70-A84 VanDerWaalsContact SG-O 3.39Å; S71-A84 PolarHBondContact N-O 2.8Å; S71-A84 PolarHBondContact O-N 3.16Å; A84-I89 WeakPolarHBondContact CA-O 2.99Å; A84-V90 HydrophobicContact CB-CG2 4.27Å; A84-I110 HydrophobicContact CB-CB 3.98Å; A84-I110 HydrophobicContact CB-CG2 3.67Å; A84-V113 HydrophobicContact CB-CG1 3.8Å; A84-V113 HydrophobicContact CB-CG2 4.3Å
85S96.2Very high95.8Very high0 Ų015.5 Ų15.50%07%0.074CC..EExtended strand (participates in β ladder)trans-115.1158.4179.2160.10000111.3H65 H67 P68 D87 N88 I89H65-S85 VanDerWaalsContact CG-CB 3.41Å; H67-S85 WeakPolarHBondContact CB-OG 3.4Å; H67-S85 PolarHBondContact O-OG 3.36Å; P68-S85 WeakPolarHBondContact O-CA 3.41Å; S85-D87 WeakPolarHBondContact CB-OD1 3.31Å; S85-D87 PolarHBondContact O-N 3.27Å; S85-D87 VanDerWaalsContact O-N 3.14Å; S85-D87 VanDerWaalsContact OG-CG 3.28Å; S85-D87 PolarHBondContact OG-N 3.37Å; S85-D87 PolarHBondContact OG-OD1 3.25Å; S85-N88 PolarHBondContact O-N 3.44Å; S85-N88 VanDerWaalsContact O-N 3.13Å; S85-I89 PolarHBondContact N-O 3.31Å
86T95.2Very high95.7Very high8 Ų818.4 Ų18.45%0.0499%0.089CC..THydrogen-bonded Turntrans-68.1-4178.258.40000114.7P68 C70 N88 H468 L470 L471P68-T86 HydrophobicContact CB-CG2 4.01Å; P68-T86 VanDerWaalsContact CD-OG1 3.3Å; P68-T86 WeakPolarHBondContact CD-OG1 3.31Å; P68-T86 HydrophobicContact CG-CG2 4.48Å; P68-T86 PolarHBondContact O-N 2.79Å; C70-T86 HydrophobicContact CB-CG2 4.28Å; T86-N88 VanDerWaalsContact C-N 3.35Å; T86-H468 HydrophobicContact CG2-CB 3.96Å; T86-L470 HydrophobicContact CG2-CB 4.34Å; T86-L470 HydrophobicContact CG2-CD1 4.29Å; T86-L471 HydrophobicContact CG2-CG 4.44Å
87D91.9Very high95.7Very high44 Ų4418.6 Ų18.624%0.23510%0.099CC..THydrogen-bonded Turntrans-94.717.2170.267.9-12000113.8H67 S85 I89H67-D87 HydrophobicContact CB-CB 4.01Å; H67-D87 IonicContact CD2-OD2 2.72Å; S85-D87 WeakPolarHBondContact CB-OD1 3.31Å; S85-D87 PolarHBondContact O-N 3.27Å; S85-D87 VanDerWaalsContact O-N 3.14Å; S85-D87 VanDerWaalsContact OG-CG 3.28Å; S85-D87 PolarHBondContact OG-N 3.37Å; S85-D87 PolarHBondContact OG-OD1 3.25Å; D87-I89 PolarHBondContact O-N 3.25Å; D87-I89 WeakPolarHBondContact OD1-CB 3.42Å; D87-I89 WeakPolarHBondContact OD1-CG1 3.28Å; D87-I89 PolarHBondContact OD1-N 2.83Å; D87-I89 VanDerWaalsContact OD2-CD1 3.25Å; D87-I89 WeakPolarHBondContact OD2-CD1 3.21Å
88N94.5Very high95.8Very high26 Ų2618.2 Ų18.214%0.13910%0.101CC..SBendtrans67.418.1176.9-43.9-7.7000113.6S85 T86 F106 P107 S108 P109S85-N88 PolarHBondContact O-N 3.44Å; S85-N88 VanDerWaalsContact O-N 3.13Å; T86-N88 VanDerWaalsContact C-N 3.35Å; N88-F106 HydrophobicContact CB-CB 4.46Å; N88-F106 WeakPolarHBondContact CB-O 3.46Å; N88-F106 PolarHBondContact O-N 2.55Å; N88-P107 PolarHBondContact ND2-O 2.7Å; N88-S108 VanDerWaalsContact CG-C 3.45Å; N88-S108 VanDerWaalsContact ND2-C 3.35Å; N88-P109 WeakPolarHBondContact OD1-CA 3.35Å
89I96.3Very high95.8Very high11 Ų1121.7 Ų21.76%0.05612%0.119CC..EExtended strand (participates in β ladder)trans-93.1130.1175.9-59.5-175.4000109.9A84 S85 D87 R103 F104A84-I89 WeakPolarHBondContact CA-O 2.99Å; S85-I89 PolarHBondContact N-O 3.31Å; D87-I89 PolarHBondContact O-N 3.25Å; D87-I89 WeakPolarHBondContact OD1-CB 3.42Å; D87-I89 WeakPolarHBondContact OD1-CG1 3.28Å; D87-I89 PolarHBondContact OD1-N 2.83Å; D87-I89 VanDerWaalsContact OD2-CD1 3.25Å; D87-I89 WeakPolarHBondContact OD2-CD1 3.21Å; I89-R103 HydrophobicContact CG2-CG 3.43Å; I89-R103 VanDerWaalsContact CG2-CG 3.43Å; I89-F104 CarbonylContact C-O 3.59Å; I89-F104 WeakPolarHBondContact CA-O 3.31Å
90V97.2Very high95.8Very high2 Ų220.5 Ų20.51%0.01212%0.117CC..EExtended strand (participates in β ladder)trans-109.2125.7167.8-179.70000108.4V82 S83 A84 R103 F104 F106 I110 V113 V125V82-V90 HydrophobicContact CG2-CG1 3.58Å; S83-V90 CarbonylContact O-C 3.52Å; S83-V90 VanDerWaalsContact O-CA 3.28Å; S83-V90 WeakPolarHBondContact O-CA 3.32Å; A84-V90 HydrophobicContact CB-CG2 4.27Å; V90-R103 CarbonylContact O-C 3.59Å; V90-R103 WeakPolarHBondContact O-CA 3.41Å; V90-F104 HydrophobicContact CB-CB 4.47Å; V90-F104 PolarHBondContact N-O 2.89Å; V90-F104 PolarHBondContact O-N 2.84Å; V90-F106 HydrophobicContact CB-CE2 4.31Å; V90-F106 HydrophobicContact CG2-CD2 4Å; V90-F106 HydrophobicContact CG2-CE2 3.87Å; V90-I110 HydrophobicContact CG2-CG1 3.97Å; V90-I110 HydrophobicContact CG2-CG2 4.4Å; V90-V113 HydrophobicContact CG1-CG1 4Å; V90-V113 HydrophobicContact CG2-CG1 4.03Å; V90-V125 HydrophobicContact CG2-CG1 4.28Å
91S97.2Very high95.7Very high2 Ų221.8 Ų21.81%0.01413%0.125CC..EExtended strand (participates in β ladder)trans-128.3140.1-178.3-63.10000111.2H65 V82 S83 W93 Q102H65-S91 PolarHBondContact CE1-OG 2.8Å; V82-S91 WeakPolarHBondContact CA-O 3.35Å; S83-S91 PolarHBondContact N-O 3.36Å; S83-S91 PolarHBondContact O-N 3.18Å; S91-W93 VanDerWaalsContact CB-CE2 3.48Å; S91-W93 PolarHBondContact O-NE1 3.31Å; S91-Q102 CarbonylContact C-O 3.52Å; S91-Q102 VanDerWaalsContact CA-O 3.29Å; S91-Q102 WeakPolarHBondContact CA-O 3.28Å
92Q97.3Very high95.5Very high18 Ų1823.8 Ų23.88%0.08414%0.135CC..EExtended strand (participates in β ladder)trans-96.9136.9168178.2177.51600109.6L81 C100 D101 Q102 Y115L81-Q92 CarbonylContact O-C 3.57Å; L81-Q92 WeakPolarHBondContact O-CA 3.33Å; Q92-C100 CarbonylContact O-C 3.52Å; Q92-C100 WeakPolarHBondContact O-CA 3.37Å; Q92-D101 HydrophobicContact CB-CB 4.34Å; Q92-D101 HydrophobicContact CG-CB 4.08Å; Q92-D101 PolarHBondContact O-N 3.04Å; Q92-Q102 HydrophobicContact CB-CB 4.37Å; Q92-Q102 PolarHBondContact N-O 2.91Å; Q92-Y115 WeakPolarHBondContact CG-OH 3.43Å
93W97.3Very high95.4Very high15 Ų1527.3 Ų27.36%0.05715%0.148CC..EExtended strand (participates in β ladder)trans-124.7137.8-176.5-52.890.2000110.5I62 A64 K80 L81 S83 S91 D99 C100I62-W93 HydrophobicContact CD1-CB 4.33Å; I62-W93 HydrophobicContact CG2-CD2 3.92Å; I62-W93 HydrophobicContact CG2-CE3 3.49Å; I62-W93 VanDerWaalsContact CG2-CE3 3.49Å; I62-W93 HydrophobicContact CG2-CG 4.43Å; I62-W93 HydrophobicContact CG2-CZ3 3.95Å; A64-W93 HydrophobicContact CB-CD2 4.39Å; A64-W93 HydrophobicContact CB-CH2 3.97Å; A64-W93 HydrophobicContact CB-CZ2 3.47Å; A64-W93 VanDerWaalsContact CB-CZ2 3.47Å; A64-W93 WeakPolarHBondContact O-CH2 3.39Å; A64-W93 WeakPolarHBondContact O-CZ2 3.32Å; K80-W93 CarbonylContact C-O 3.57Å; K80-W93 VanDerWaalsContact CA-O 3.25Å; K80-W93 WeakPolarHBondContact CA-O 3.38Å; L81-W93 HydrophobicContact CB-CB 4.35Å; L81-W93 PolarHBondContact N-O 2.83Å; L81-W93 PolarHBondContact O-N 3.13Å; S83-W93 PolarHBondContact OG-NE1 3.13Å; S91-W93 VanDerWaalsContact CB-CE2 3.48Å; S91-W93 PolarHBondContact O-NE1 3.31Å; W93-D99 VanDerWaalsContact CA-O 3.29Å; W93-D99 WeakPolarHBondContact CA-O 3.37Å; W93-C100 HydrophobicContact CE3-CB 3.85Å; W93-C100 HydrophobicContact CH2-CB 3.76Å; W93-C100 HydrophobicContact CZ2-CB 4.5Å; W93-C100 HydrophobicContact CZ3-CB 3.43Å; W93-C100 VanDerWaalsContact CZ3-CB 3.43Å
94D95.7Very high95.3Very high25 Ų2527.5 Ų27.513%0.13415%0.148CC..EExtended strand (participates in β ladder)trans-78125.5161.1-17179.1000109.5K80 L96 S97 G98 D99K80-D94 IonicContact NZ-OD1 2.89Å; K80-D94 PolarHBondContact NZ-OD1 2.8Å; D94-L96 WeakPolarHBondContact OD2-CB 3.49Å; D94-L96 PolarHBondContact OD2-N 2.87Å; D94-L96 VanDerWaalsContact OD2-N 3.16Å; D94-S97 PolarHBondContact OD2-N 3.01Å; D94-S97 PolarHBondContact OD2-OG 2.82Å; D94-G98 WeakPolarHBondContact O-CA 3.33Å; D94-G98 PolarHBondContact O-N 3.11Å; D94-D99 PolarHBondContact N-O 2.84Å
95V95.4Very high95.1Very high0 Ų032.5 Ų32.50%017%0.167CC..THydrogen-bonded Turntrans-72-34.6-174.5171.50000111.3I50 W74 H79 L81 L399 L402I50-V95 HydrophobicContact CD1-CG1 3.72Å; W74-V95 HydrophobicContact CE3-CG2 4.13Å; W74-V95 HydrophobicContact CH2-CG1 4.1Å; W74-V95 HydrophobicContact CH2-CG2 4.24Å; W74-V95 HydrophobicContact CZ3-CB 4.29Å; W74-V95 HydrophobicContact CZ3-CG1 3.9Å; W74-V95 HydrophobicContact CZ3-CG2 3.53Å; H79-V95 WeakPolarHBondContact O-CB 3.33Å; H79-V95 WeakPolarHBondContact O-CG2 3.21Å; H79-V95 PolarHBondContact O-N 3.14Å; L81-V95 HydrophobicContact CB-CG2 4.3Å; L81-V95 HydrophobicContact CD1-CG2 3.94Å; L81-V95 HydrophobicContact CG-CG2 3.88Å; V95-L399 HydrophobicContact CB-CD2 4.24Å; V95-L399 HydrophobicContact CG1-CD2 3.92Å; V95-L402 HydrophobicContact CG1-CD1 4.39Å; V95-L402 HydrophobicContact CG1-CD2 3.66Å
96L93.4Very high95Very high63 Ų6332.7 Ų32.733%0.3317%0.168SC..THydrogen-bonded Turntrans-74-53.1-177.8-66.4174.1000111.1K60 D94 L399 L402 P403K60-L96 WeakPolarHBondContact CE-O 3.33Å; K60-L96 PolarHBondContact NZ-O 2.71Å; D94-L96 WeakPolarHBondContact OD2-CB 3.49Å; D94-L96 PolarHBondContact OD2-N 2.87Å; D94-L96 VanDerWaalsContact OD2-N 3.16Å; L96-L399 HydrophobicContact CD2-CD1 3.99Å; L96-L399 HydrophobicContact CD2-CD2 4.32Å; L96-L399 HydrophobicContact CG-CD2 4.48Å; L96-L402 HydrophobicContact CD2-CD2 4.02Å; L96-P403 VanDerWaalsContact CD2-CD 3.48Å; L96-P403 HydrophobicContact CD2-CG 4.02Å
97S93Very high94.9Very high56 Ų5634.5 Ų34.539%0.39218%0.18SC..THydrogen-bonded Turntrans-80.4-30.2-178.282.60000112.6D94 D99D94-S97 PolarHBondContact OD2-N 3.01Å; D94-S97 PolarHBondContact OD2-OG 2.82Å; S97-D99 VanDerWaalsContact C-N 3.26Å; S97-D99 VanDerWaalsContact CB-OD2 3.29Å; S97-D99 WeakPolarHBondContact CB-OD2 3.45Å; S97-D99 VanDerWaalsContact OG-CB 3.24Å; S97-D99 WeakPolarHBondContact OG-CB 3.48Å; S97-D99 PolarHBondContact OG-N 3.12Å; S97-D99 PolarHBondContact OG-OD2 3.28Å
98G93.2Very high94.8Very high18 Ų1832.4 Ų32.419%0.18617%0.169CC..  trans77.610-170.200000113.4D94D94-G98 WeakPolarHBondContact O-CA 3.33Å; D94-G98 PolarHBondContact O-N 3.11Å
99D95.1Very high94.7Very high73 Ų7331.1 Ų31.139%0.3916%0.162SC..  trans-77.7149.6-179.9-64.8-46000111.7W93 D94 S97 D101W93-D99 VanDerWaalsContact CA-O 3.29Å; W93-D99 WeakPolarHBondContact CA-O 3.37Å; D94-D99 PolarHBondContact N-O 2.84Å; S97-D99 VanDerWaalsContact C-N 3.26Å; S97-D99 VanDerWaalsContact CB-OD2 3.29Å; S97-D99 WeakPolarHBondContact CB-OD2 3.45Å; S97-D99 VanDerWaalsContact OG-CB 3.24Å; S97-D99 WeakPolarHBondContact OG-CB 3.48Å; S97-D99 PolarHBondContact OG-N 3.12Å; S97-D99 PolarHBondContact OG-OD2 3.28Å; D99-D101 PolarHBondContact O-N 3.31Å
100C95.7Very high94.6Very high26 Ų2630.6 Ų30.618%0.17616%0.159CC..EExtended strand (participates in β ladder)trans-84.9108.3172-174.50000109.3Q92 W93 Q102 P452Q92-C100 CarbonylContact O-C 3.52Å; Q92-C100 WeakPolarHBondContact O-CA 3.37Å; W93-C100 HydrophobicContact CE3-CB 3.85Å; W93-C100 HydrophobicContact CH2-CB 3.76Å; W93-C100 HydrophobicContact CZ2-CB 4.5Å; W93-C100 HydrophobicContact CZ3-CB 3.43Å; W93-C100 VanDerWaalsContact CZ3-CB 3.43Å; C100-Q102 PolarHBondContact SG-O 3.24Å; C100-Q102 VanDerWaalsContact SG-O 3.41Å; C100-P452 HydrophobicContact CB-CB 4.02Å; C100-P452 HydrophobicContact CB-CG 3.84Å
101D93.7Very high94.4Very high68 Ų6833.4 Ų33.436%0.36417%0.174SC..EExtended strand (participates in β ladder)trans-69.7-47.6178-69.1-36.6000111K80 Q92 D99K80-D101 WeakPolarHBondContact CD-OD2 3.23Å; K80-D101 VanDerWaalsContact CE-OD2 3.26Å; K80-D101 WeakPolarHBondContact CE-OD2 3.25Å; K80-D101 IonicContact NZ-OD1 3.46Å; K80-D101 IonicContact NZ-OD2 2.74Å; K80-D101 PolarHBondContact NZ-OD2 2.91Å; Q92-D101 HydrophobicContact CB-CB 4.34Å; Q92-D101 HydrophobicContact CG-CB 4.08Å; Q92-D101 PolarHBondContact O-N 3.04Å; D99-D101 PolarHBondContact O-N 3.31Å
102Q93.2Very high94.4Very high42 Ų4235.5 Ų35.520%0.19618%0.183CC..EExtended strand (participates in β ladder)trans-145.9149.4-175.4-58.5-166.63.600111.7S91 Q92 C100 F104 L137S91-Q102 CarbonylContact C-O 3.52Å; S91-Q102 VanDerWaalsContact CA-O 3.29Å; S91-Q102 WeakPolarHBondContact CA-O 3.28Å; Q92-Q102 HydrophobicContact CB-CB 4.37Å; Q92-Q102 PolarHBondContact N-O 2.91Å; C100-Q102 PolarHBondContact SG-O 3.24Å; C100-Q102 VanDerWaalsContact SG-O 3.41Å; Q102-F104 HydrophobicContact CB-CE2 3.78Å; Q102-F104 HydrophobicContact CB-CZ 4.33Å; Q102-L137 VanDerWaalsContact CD-O 3.26Å; Q102-L137 VanDerWaalsContact NE2-C 3.31Å; Q102-L137 PolarHBondContact NE2-O 3.44Å; Q102-L137 VanDerWaalsContact OE1-CA 3.31Å; Q102-L137 PolarHBondContact OE1-O 3.4Å
103R95.6Very high94.4Very high77 Ų7734.8 Ų34.829%0.29118%0.18SC..EExtended strand (participates in β ladder)trans-138.5127.3179.2-170.2167.167.7-168-0.4111.4I89 V90 T454 T455I89-R103 HydrophobicContact CG2-CG 3.43Å; I89-R103 VanDerWaalsContact CG2-CG 3.43Å; V90-R103 CarbonylContact O-C 3.59Å; V90-R103 WeakPolarHBondContact O-CA 3.41Å; R103-T454 HydrophobicContact CG-CG2 4.24Å; R103-T454 PolarHBondContact NE-OG1 3.04Å; R103-T454 PolarHBondContact NH2-OG1 2.74Å; R103-T454 CarbonylContact O-C 3.59Å; R103-T454 WeakPolarHBondContact O-CA 3.38Å; R103-T455 PolarHBondContact O-N 2.77Å
104F95.8Very high94.5Very high3 Ų335.8 Ų35.81%0.01319%0.185CC..EExtended strand (participates in β ladder)trans-120.9134.4179.7-59.4-86.6000110I89 V90 Q102 F106 L135 L137 T455 I457I89-F104 CarbonylContact C-O 3.59Å; I89-F104 WeakPolarHBondContact CA-O 3.31Å; V90-F104 HydrophobicContact CB-CB 4.47Å; V90-F104 PolarHBondContact N-O 2.89Å; V90-F104 PolarHBondContact O-N 2.84Å; Q102-F104 HydrophobicContact CB-CE2 3.78Å; Q102-F104 HydrophobicContact CB-CZ 4.33Å; F104-F106 HydrophobicContact CB-CE2 4.08Å; F104-L135 HydrophobicContact CD1-CD2 4.24Å; F104-L135 HydrophobicContact CD2-CD1 4.36Å; F104-L135 HydrophobicContact CE1-CD2 4.45Å; F104-L135 HydrophobicContact CG-CD1 4.39Å; F104-L137 HydrophobicContact CE2-CD2 3.66Å; F104-L137 HydrophobicContact CZ-CD2 4.19Å; F104-T455 CarbonylContact C-O 3.59Å; F104-T455 VanDerWaalsContact CA-O 3.25Å; F104-T455 WeakPolarHBondContact CA-O 3.13Å; F104-T455 HydrophobicContact CD1-CG2 4.19Å; F104-T455 HydrophobicContact CE1-CG2 4.29Å; F104-I457 HydrophobicContact CB-CG1 4.35Å; F104-I457 HydrophobicContact CD1-CD1 3.97Å; F104-I457 HydrophobicContact CD1-CG1 4.38Å
105R95.1Very high94.6Very high106 Ų10635 Ų3540%0.418%0.18SC..EExtended strand (participates in β ladder)trans-110.2127173.4179.7177.8-69.1117.1-4.1109.8T454 T455 N456 I457R105-T454 HydrophobicContact CB-CG2 4.32Å; R105-T455 PolarHBondContact N-O 3.12Å; R105-N456 PolarHBondContact NH1-OD1 3.07Å; R105-I457 PolarHBondContact O-N 3.41Å
106F94.2Very high94.7Very high4 Ų435.9 Ų35.92%0.01818%0.184CC..  trans-100.3153.8175.6-75.1-101000111.3N88 V90 F104 S108 I110 V125 P127 V133 L135 I457 L459N88-F106 HydrophobicContact CB-CB 4.46Å; N88-F106 WeakPolarHBondContact CB-O 3.46Å; N88-F106 PolarHBondContact O-N 2.55Å; V90-F106 HydrophobicContact CB-CE2 4.31Å; V90-F106 HydrophobicContact CG2-CD2 4Å; V90-F106 HydrophobicContact CG2-CE2 3.87Å; F104-F106 HydrophobicContact CB-CE2 4.08Å; F106-S108 VanDerWaalsContact C-N 3.27Å; F106-S108 PolarHBondContact O-N 2.81Å; F106-I110 HydrophobicContact CB-CD1 3.75Å; F106-I110 HydrophobicContact CB-CG1 4.46Å; F106-I110 HydrophobicContact CD1-CD1 4.17Å; F106-I110 HydrophobicContact CD2-CD1 4.05Å; F106-I110 HydrophobicContact CD2-CG1 4.47Å; F106-I110 HydrophobicContact CG-CD1 3.73Å; F106-V125 HydrophobicContact CE1-CB 4.44Å; F106-V125 HydrophobicContact CE1-CG1 4.14Å; F106-V125 HydrophobicContact CE2-CG1 4.09Å; F106-V125 HydrophobicContact CE2-CG2 4.31Å; F106-V125 HydrophobicContact CZ-CB 4.01Å; F106-V125 HydrophobicContact CZ-CG1 3.84Å; F106-V125 HydrophobicContact CZ-CG2 3.96Å; F106-P127 HydrophobicContact CD1-CG 4.25Å; F106-V133 HydrophobicContact CE1-CB 4.15Å; F106-V133 HydrophobicContact CE1-CG1 4.3Å; F106-V133 HydrophobicContact CE1-CG2 4.22Å; F106-L135 HydrophobicContact CE2-CD1 4.11Å; F106-L135 HydrophobicContact CZ-CD1 3.88Å; F106-L135 HydrophobicContact CZ-CD2 4.08Å; F106-L135 HydrophobicContact CZ-CG 4.18Å; F106-I457 HydrophobicContact CD1-CB 4.07Å; F106-I457 HydrophobicContact CD1-CG1 4.42Å; F106-I457 HydrophobicContact CD1-CG2 4.02Å; F106-I457 HydrophobicContact CD2-CG1 4.36Å; F106-I457 HydrophobicContact CE1-CB 4.06Å; F106-I457 HydrophobicContact CE1-CG1 4.08Å; F106-I457 HydrophobicContact CE1-CG2 3.77Å; F106-I457 HydrophobicContact CE2-CG1 4Å; F106-I457 HydrophobicContact CG-CB 4.38Å; F106-I457 HydrophobicContact CZ-CB 4.35Å; F106-I457 HydrophobicContact CZ-CG1 3.85Å; F106-I457 HydrophobicContact CZ-CG2 4.36Å; F106-L459 HydrophobicContact CD1-CD1 4Å
107P91.3Very high94.7Very high45 Ų4534.3 Ų34.329%0.29218%0.178SC..SBendtrans-74.6-20.3176.429.7-33.7000112.5N88 I457 L459 V462N88-P107 PolarHBondContact ND2-O 2.7Å; P107-I457 WeakPolarHBondContact CD-O 3.45Å; P107-L459 HydrophobicContact CG-CB 3.9Å; P107-L459 HydrophobicContact CG-CD1 4.04Å; P107-L459 HydrophobicContact CG-CG 4.08Å; P107-V462 HydrophobicContact CB-CB 4.4Å; P107-V462 HydrophobicContact CB-CG1 4.14Å; P107-V462 HydrophobicContact CG-CB 4.25Å; P107-V462 HydrophobicContact CG-CG1 4.2Å; P107-V462 HydrophobicContact CG-CG2 4.09Å
108S89.9Confident94.8Very high0 Ų035.9 Ų35.90%018%0.175CC..SBendtrans-117.3149.5-178.6-172.50000112.1N88 F106 I110 M128N88-S108 VanDerWaalsContact CG-C 3.45Å; N88-S108 VanDerWaalsContact ND2-C 3.35Å; F106-S108 VanDerWaalsContact C-N 3.27Å; F106-S108 PolarHBondContact O-N 2.81Å; S108-I110 WeakPolarHBondContact O-CD1 3.48Å; S108-M128 WeakPolarHBondContact CB-O 3.42Å; S108-M128 PolarHBondContact OG-O 2.61Å
109P92.3Very high94.8Very high0 Ų037.4 Ų37.40%018%0.179CC..  trans-54.7141.8171.7-24.833.8000113.7N88 P127 M128 E466 H468N88-P109 WeakPolarHBondContact OD1-CA 3.35Å; P109-P127 CarbonylContact O-C 3.59Å; P109-P127 WeakPolarHBondContact O-CA 3.34Å; P109-M128 HydrophobicContact CB-CG 4.33Å; P109-M128 HydrophobicContact CB-SD 3.94Å; P109-M128 PolarHBondContact O-N 3.36Å; P109-E466 HydrophobicContact CG-CB 3.97Å; P109-E466 WeakPolarHBondContact CG-O 3.24Å; P109-H468 HydrophobicContact CB-CB 3.99Å
110I94.9Very high94.6Very high0 Ų036.6 Ų36.60%017%0.173CC..EExtended strand (participates in β ladder)trans-97.8128.6-176.1-55.6-51.2000110.7C70 A84 V90 F106 S108 V113 V125 P127 H468C70-I110 PolarHBondContact SG-O 3.1Å; C70-I110 VanDerWaalsContact SG-O 3.34Å; A84-I110 HydrophobicContact CB-CB 3.98Å; A84-I110 HydrophobicContact CB-CG2 3.67Å; V90-I110 HydrophobicContact CG2-CG1 3.97Å; V90-I110 HydrophobicContact CG2-CG2 4.4Å; F106-I110 HydrophobicContact CB-CD1 3.75Å; F106-I110 HydrophobicContact CB-CG1 4.46Å; F106-I110 HydrophobicContact CD1-CD1 4.17Å; F106-I110 HydrophobicContact CD2-CD1 4.05Å; F106-I110 HydrophobicContact CD2-CG1 4.47Å; F106-I110 HydrophobicContact CG-CD1 3.73Å; S108-I110 WeakPolarHBondContact O-CD1 3.48Å; I110-V113 HydrophobicContact CG2-CG1 3.94Å; I110-V125 HydrophobicContact CD1-CG1 3.62Å; I110-V125 HydrophobicContact CG1-CG1 4.2Å; I110-V125 HydrophobicContact CG2-CG1 3.75Å; I110-P127 HydrophobicContact CD1-CB 3.79Å; I110-P127 HydrophobicContact CD1-CG 3.99Å; I110-H468 PolarHBondContact O-CD2 2.81Å; I110-H468 PolarHBondContact O-NE2 3.5Å
111L93.7Very high94.6Very high61 Ų6137.9 Ų37.932%0.31918%0.178SC..EExtended strand (participates in β ladder)trans-90.3-41177.8-64.4178.9000113.1C126 M128L111-C126 WeakPolarHBondContact CB-O 3.23Å; L111-C126 PolarHBondContact N-O 3.32Å; L111-M128 HydrophobicContact CD1-CG 3.83Å; L111-M128 HydrophobicContact CD2-CG 3.39Å; L111-M128 HydrophobicContact CD2-SD 3.73Å; L111-M128 HydrophobicContact CG-CG 3.42Å; L111-M128 VanDerWaalsContact CG-CG 3.42Å; L111-M128 HydrophobicContact CG-SD 4.42Å
112K96.7Very high94.8Very high45 Ų4537.3 Ų37.320%0.19617%0.172CC..EExtended strand (participates in β ladder)trans-148.9140.9-175.4-169.7173.9-179.9174.60110.3C126 E205K112-C126 HydrophobicContact CB-CB 4.17Å; K112-C126 PolarHBondContact N-O 3.02Å; K112-C126 PolarHBondContact O-N 3.08Å; K112-E205 IonicContact NZ-OE1 3.97Å; K112-E205 PolarHBondContact NZ-OE1 2.95Å; K112-E205 VanDerWaalsContact NZ-OE1 3.17Å; K112-E205 IonicContact NZ-OE2 3.84Å; K112-E205 PolarHBondContact NZ-OE2 2.96Å; K112-E205 VanDerWaalsContact NZ-OE2 3.15Å
113V98Very high95Very high3 Ų335.3 Ų35.32%0.01816%0.163CC..EExtended strand (participates in β ladder)trans-119.7145.1164.1-67.70000109.4S71 V82 A84 V90 I110 L124 V125S71-V113 PolarHBondContact OG-N 2.83Å; S71-V113 VanDerWaalsContact OG-N 3.08Å; V82-V113 HydrophobicContact CG1-CB 4.16Å; V82-V113 HydrophobicContact CG1-CG2 3.89Å; V82-V113 HydrophobicContact CG2-CB 4.37Å; V82-V113 HydrophobicContact CG2-CG2 4.34Å; A84-V113 HydrophobicContact CB-CG1 3.8Å; A84-V113 HydrophobicContact CB-CG2 4.3Å; V90-V113 HydrophobicContact CG1-CG1 4Å; V90-V113 HydrophobicContact CG2-CG1 4.03Å; I110-V113 HydrophobicContact CG2-CG1 3.94Å; V113-L124 CarbonylContact C-O 3.57Å; V113-L124 WeakPolarHBondContact CA-O 3.15Å; V113-V125 HydrophobicContact CG1-CG1 4.37Å; V113-V125 HydrophobicContact CG1-CG2 4.25Å
114Q98.3Very high95.1Very high36 Ų3631.7 Ų31.717%0.16815%0.15CC..EExtended strand (participates in β ladder)trans-149.3123.9-179.5-169.4-175.830.800110.2V123 L124 S158 F159Q114-V123 CarbonylContact O-C 3.52Å; Q114-V123 WeakPolarHBondContact O-CA 3.43Å; Q114-L124 PolarHBondContact N-O 3.32Å; Q114-L124 PolarHBondContact O-N 3.36Å; Q114-S158 PolarHBondContact NE2-OG 3.43Å; Q114-S158 VanDerWaalsContact NE2-OG 3.17Å; Q114-S158 VanDerWaalsContact OE1-CA 3.25Å; Q114-S158 PolarHBondContact OE1-OG 2.82Å; Q114-F159 HydrophobicContact CG-CD2 4.24Å
115Y98.1Very high95.2Very high8 Ų831.6 Ų31.63%0.03115%0.149CC..EExtended strand (participates in β ladder)trans-64.5146.1167.7-83.1-71.6000110.7C73 W74 V82 Q92 Q120 V123 L137C73-Y115 HydrophobicContact CB-CD2 4.24Å; C73-Y115 WeakPolarHBondContact O-CD2 3.22Å; C73-Y115 VanDerWaalsContact O-CE2 3.27Å; C73-Y115 WeakPolarHBondContact O-CE2 3.38Å; C73-Y115 PolarHBondContact SG-N 2.93Å; W74-Y115 VanDerWaalsContact O-CD2 3.32Å; W74-Y115 WeakPolarHBondContact O-CD2 3.45Å; V82-Y115 HydrophobicContact CB-CD2 4.3Å; V82-Y115 HydrophobicContact CB-CE2 3.62Å; V82-Y115 HydrophobicContact CG1-CD2 3.64Å; V82-Y115 HydrophobicContact CG1-CE2 3.46Å; V82-Y115 VanDerWaalsContact CG1-CE2 3.46Å; V82-Y115 HydrophobicContact CG1-CG 4.36Å; Q92-Y115 WeakPolarHBondContact CG-OH 3.43Å; Y115-Q120 WeakPolarHBondContact CE1-O 3.35Å; Y115-V123 HydrophobicContact CD1-CG2 3.48Å; Y115-V123 VanDerWaalsContact CD1-CG2 3.48Å; Y115-V123 HydrophobicContact CE1-CG2 3.5Å; Y115-V123 VanDerWaalsContact CE1-CG2 3.5Å; Y115-V123 HydrophobicContact CG-CG2 4.3Å; Y115-L137 HydrophobicContact CE1-CD1 3.98Å
116H97.8Very high95.3Very high19 Ų1926.7 Ų26.79%0.08813%0.131CC..EExtended strand (participates in β ladder)trans-64.5126.1164.2178.6-75000108.9R118 D119 K122 F159 G163H116-R118 PolarHBondContact ND1-N 3.49Å; H116-R118 PolarHBondContact O-N 3.38Å; H116-D119 HydrophobicContact CB-CB 4.43Å; H116-D119 WeakPolarHBondContact CB-O 3.14Å; H116-D119 WeakPolarHBondContact ND1-CB 3.49Å; H116-D119 PolarHBondContact ND1-N 3.25Å; H116-D119 PolarHBondContact O-N 3.05Å; H116-K122 HydrophobicContact CB-CB 3.78Å; H116-K122 PolarHBondContact N-O 3.04Å; H116-F159 HydrophobicContact CB-CD2 4.32Å; H116-F159 HydrophobicContact CB-CE1 4.35Å; H116-F159 HydrophobicContact CB-CE2 3.83Å; H116-F159 HydrophobicContact CB-CZ 3.86Å; H116-F159 AromaticContact CD2-CD1 3.92Å; H116-F159 AromaticContact CD2-CE1 3.59Å; H116-F159 AromaticContact CD2-CZ 3.95Å; H116-G163 WeakPolarHBondContact NE2-CA 3.47Å; H116-G163 PolarHBondContact NE2-O 2.95Å
117P94.3Very high95.2Very high31 Ų3126.5 Ų26.520%0.20113%0.13CC..THydrogen-bonded Turntrans-67-14.6-165.626.8-37.3000114.3R76 F159 R161 R162 G163R76-P117 VanDerWaalsContact CD-O 3.28Å; R76-P117 WeakPolarHBondContact CD-O 3.45Å; R76-P117 PolarHBondContact NH1-O 3.35Å; P117-F159 HydrophobicContact CG-CB 4.47Å; P117-R161 WeakPolarHBondContact CB-O 3.36Å; P117-R161 WeakPolarHBondContact CG-O 3.35Å; P117-R162 VanDerWaalsContact CG-C 3.48Å; P117-G163 VanDerWaalsContact CG-N 3.29Å
118R93.4Very high95.2Very high89 Ų8925.4 Ų25.434%0.33612%0.121SC..THydrogen-bonded Turntrans-120-7.2176.9-69.6-169.6167.1-169.9-3.9115.6H116 R162 D390H116-R118 PolarHBondContact ND1-N 3.49Å; H116-R118 PolarHBondContact O-N 3.38Å; R118-R162 WeakPolarHBondContact CD-O 3.45Å; R118-R162 WeakPolarHBondContact CG-O 3.42Å; R118-D390 IonicContact CZ-OD2 2.84Å; R118-D390 IonicContact NH1-OD2 3.86Å; R118-D390 IonicContact NH2-OD1 2.75Å; R118-D390 PolarHBondContact NH2-OD1 3.33Å; R118-D390 VanDerWaalsContact NH2-OD1 3.08Å; R118-D390 IonicContact NH2-OD2 3.85Å; R118-D390 PolarHBondContact NH2-OD2 2.89Å
119D94.5Very high94.9Very high49 Ų4928.8 Ų28.826%0.26214%0.136SC..EExtended strand (participates in β ladder)trans-140.895.7-175.1-179.94.8000108.9H116 N121 K122H116-D119 HydrophobicContact CB-CB 4.43Å; H116-D119 WeakPolarHBondContact CB-O 3.14Å; H116-D119 WeakPolarHBondContact ND1-CB 3.49Å; H116-D119 PolarHBondContact ND1-N 3.25Å; H116-D119 PolarHBondContact O-N 3.05Å; D119-N121 PolarHBondContact O-N 3.3Å; D119-N121 WeakPolarHBondContact OD1-CB 3.24Å; D119-N121 PolarHBondContact OD1-N 3.08Å; D119-K122 PolarHBondContact O-N 3.37Å; D119-K122 IonicContact OD2-NZ 3.13Å; D119-K122 PolarHBondContact OD2-NZ 3.41Å
120Q91.3Very high94.7Very high57 Ų5729.5 Ų29.527%0.26614%0.141SC..EExtended strand (participates in β ladder)trans-66.3-12.3-174.9-53.2179.63300113.2S75 D77 Y115 K122 L137S75-Q120 VanDerWaalsContact CB-OE1 3.29Å; D77-Q120 PolarHBondContact OD1-NE2 3.23Å; D77-Q120 PolarHBondContact OD1-OE1 3.33Å; D77-Q120 PolarHBondContact OD2-NE2 3.08Å; D77-Q120 PolarHBondContact OD2-OE1 2.82Å; Y115-Q120 WeakPolarHBondContact CE1-O 3.35Å; Q120-K122 VanDerWaalsContact C-N 3.26Å; Q120-K122 PolarHBondContact O-N 3.05Å; Q120-L137 WeakPolarHBondContact O-CD1 3.39Å
121N95.3Very high94.6Very high52 Ų5230.2 Ų30.228%0.27815%0.147SC..EExtended strand (participates in β ladder)trans-74.9-16.2175.4-170.931.1000112.4D119 T136 L137 S138D119-N121 PolarHBondContact O-N 3.3Å; D119-N121 WeakPolarHBondContact OD1-CB 3.24Å; D119-N121 PolarHBondContact OD1-N 3.08Å; N121-T136 WeakPolarHBondContact ND2-CG2 3.45Å; N121-T136 CarbonylContact O-C 3.59Å; N121-T136 WeakPolarHBondContact O-CA 3.26Å; N121-L137 PolarHBondContact O-N 2.89Å; N121-L137 PolarHBondContact OD1-N 3.19Å; N121-S138 VanDerWaalsContact CG-OG 3.22Å; N121-S138 PolarHBondContact ND2-OG 2.86Å; N121-S138 WeakPolarHBondContact OD1-CB 3.49Å; N121-S138 PolarHBondContact OD1-N 3.39Å; N121-S138 PolarHBondContact OD1-OG 2.87Å
122K97Very high94.7Very high57 Ų5727.4 Ų27.425%0.24813%0.132CC..EExtended strand (participates in β ladder)trans-108.1133.5-179.6-62.6-172.4-174.2900111.6H116 D119 Q120 M134 L135H116-K122 HydrophobicContact CB-CB 3.78Å; H116-K122 PolarHBondContact N-O 3.04Å; D119-K122 PolarHBondContact O-N 3.37Å; D119-K122 IonicContact OD2-NZ 3.13Å; D119-K122 PolarHBondContact OD2-NZ 3.41Å; Q120-K122 VanDerWaalsContact C-N 3.26Å; Q120-K122 PolarHBondContact O-N 3.05Å; K122-M134 HydrophobicContact CD-SD 4.02Å; K122-L135 VanDerWaalsContact CA-O 3.32Å; K122-L135 WeakPolarHBondContact CA-O 3.44Å
123V97.9Very high94.7Very high0 Ų025.2 Ų25.20%012%0.123CC..EExtended strand (participates in β ladder)trans-130.9126.4176.31770000109.7V82 Q114 Y115 V125 M134 L135 L137V82-V123 HydrophobicContact CG1-CG1 4.38Å; V82-V123 HydrophobicContact CG2-CG1 4.19Å; Q114-V123 CarbonylContact O-C 3.52Å; Q114-V123 WeakPolarHBondContact O-CA 3.43Å; Y115-V123 HydrophobicContact CD1-CG2 3.48Å; Y115-V123 VanDerWaalsContact CD1-CG2 3.48Å; Y115-V123 HydrophobicContact CE1-CG2 3.5Å; Y115-V123 VanDerWaalsContact CE1-CG2 3.5Å; Y115-V123 HydrophobicContact CG-CG2 4.3Å; V123-V125 HydrophobicContact CG1-CG2 4.19Å; V123-M134 CarbonylContact O-C 3.59Å; V123-L135 HydrophobicContact CB-CB 4.46Å; V123-L135 PolarHBondContact N-O 2.98Å; V123-L135 PolarHBondContact O-N 3.36Å; V123-L137 HydrophobicContact CG2-CD1 3.79Å; V123-L137 HydrophobicContact CG2-CD2 4.25Å; V123-L137 HydrophobicContact CG2-CG 4.17Å
124L98Very high94.7Very high1 Ų125.4 Ų25.41%0.00512%0.124CC..EExtended strand (participates in β ladder)trans-86.8129.6170.3179.863.2000109.8V113 Q114 P132 L145 A157 F159 I166V113-L124 CarbonylContact C-O 3.57Å; V113-L124 WeakPolarHBondContact CA-O 3.15Å; Q114-L124 PolarHBondContact N-O 3.32Å; Q114-L124 PolarHBondContact O-N 3.36Å; L124-P132 HydrophobicContact CD1-CB 4.14Å; L124-L145 HydrophobicContact CD1-CD1 3.73Å; L124-A157 HydrophobicContact CD1-CB 4.39Å; L124-A157 HydrophobicContact CD2-CB 3.78Å; L124-A157 HydrophobicContact CG-CB 4.41Å; L124-F159 HydrophobicContact CB-CD2 4.05Å; L124-F159 HydrophobicContact CB-CE2 3.37Å; L124-F159 HydrophobicContact CB-CZ 3.84Å; L124-F159 HydrophobicContact CD2-CD2 4.3Å; L124-F159 HydrophobicContact CD2-CE2 4.29Å; L124-F159 HydrophobicContact CG-CE2 4.47Å; L124-I166 HydrophobicContact CD2-CG2 3.89Å
125V97.5Very high94.5Very high0 Ų023.8 Ų23.80%012%0.116CC..EExtended strand (participates in β ladder)trans-118.4131.7177.5-175.90000108.2V90 F106 I110 V113 V123 P127 P132 V133 L135V90-V125 HydrophobicContact CG2-CG1 4.28Å; F106-V125 HydrophobicContact CE1-CB 4.44Å; F106-V125 HydrophobicContact CE1-CG1 4.14Å; F106-V125 HydrophobicContact CE2-CG1 4.09Å; F106-V125 HydrophobicContact CE2-CG2 4.31Å; F106-V125 HydrophobicContact CZ-CB 4.01Å; F106-V125 HydrophobicContact CZ-CG1 3.84Å; F106-V125 HydrophobicContact CZ-CG2 3.96Å; I110-V125 HydrophobicContact CD1-CG1 3.62Å; I110-V125 HydrophobicContact CG1-CG1 4.2Å; I110-V125 HydrophobicContact CG2-CG1 3.75Å; V113-V125 HydrophobicContact CG1-CG1 4.37Å; V113-V125 HydrophobicContact CG1-CG2 4.25Å; V123-V125 HydrophobicContact CG1-CG2 4.19Å; V125-P127 HydrophobicContact CG1-CG 4.42Å; V125-P127 WeakPolarHBondContact O-CD 3.28Å; V125-P132 CarbonylContact O-C 3.45Å; V125-P132 WeakPolarHBondContact O-CA 3.43Å; V125-V133 PolarHBondContact N-O 2.59Å; V125-V133 PolarHBondContact O-N 3.27Å; V125-L135 HydrophobicContact CG2-CD1 3.42Å; V125-L135 VanDerWaalsContact CG2-CD1 3.42Å; V125-L135 HydrophobicContact CG2-CG 4.11Å
126C96Very high94.4Very high3 Ų324.6 Ų24.62%0.0212%0.122CC..EExtended strand (participates in β ladder)trans-110.993.4174.7-60.30000109.2L111 K112 A157L111-C126 WeakPolarHBondContact CB-O 3.23Å; L111-C126 PolarHBondContact N-O 3.32Å; K112-C126 HydrophobicContact CB-CB 4.17Å; K112-C126 PolarHBondContact N-O 3.02Å; K112-C126 PolarHBondContact O-N 3.08Å; C126-A157 PolarHBondContact SG-N 3.13Å; C126-A157 VanDerWaalsContact SG-N 3.37Å
127P93.8Very high94.1Very high0 Ų024.1 Ų24.10%012%0.12CC..EExtended strand (participates in β ladder)trans-72.1160.7171.6-8.825.6000111.3F106 P109 I110 V125 V133 L459F106-P127 HydrophobicContact CD1-CG 4.25Å; P109-P127 CarbonylContact O-C 3.59Å; P109-P127 WeakPolarHBondContact O-CA 3.34Å; I110-P127 HydrophobicContact CD1-CB 3.79Å; I110-P127 HydrophobicContact CD1-CG 3.99Å; V125-P127 HydrophobicContact CG1-CG 4.42Å; V125-P127 WeakPolarHBondContact O-CD 3.28Å; P127-V133 HydrophobicContact CG-CG2 4.43Å; P127-L459 HydrophobicContact CG-CD1 4.31Å
128M90Very high93.9Very high22 Ų2226.7 Ų26.711%0.10814%0.139CC..THydrogen-bonded Turntrans-72.5149.4165.6-69.5-17462.200110.1S108 P109 L111 S130 P469S108-M128 WeakPolarHBondContact CB-O 3.42Å; S108-M128 PolarHBondContact OG-O 2.61Å; P109-M128 HydrophobicContact CB-CG 4.33Å; P109-M128 HydrophobicContact CB-SD 3.94Å; P109-M128 PolarHBondContact O-N 3.36Å; L111-M128 HydrophobicContact CD1-CG 3.83Å; L111-M128 HydrophobicContact CD2-CG 3.39Å; L111-M128 HydrophobicContact CD2-SD 3.73Å; L111-M128 HydrophobicContact CG-CG 3.42Å; L111-M128 VanDerWaalsContact CG-CG 3.42Å; L111-M128 HydrophobicContact CG-SD 4.42Å; M128-S130 PolarHBondContact O-N 2.7Å; M128-P469 HydrophobicContact CE-CG 3.81Å; M128-P469 WeakPolarHBondContact SD-CD 3.23Å; M128-P469 HydrophobicContact SD-CG 3.69Å
129K84.8Confident93.8Very high72 Ų7225.7 Ų25.731%0.31314%0.14SC..THydrogen-bonded Turntrans51.827.7169.6-52.1-148.7-147.9145.70115.1L153 N154 E466K129-L153 CarbonylContact C-O 3.52Å; K129-L153 VanDerWaalsContact C-O 3.28Å; K129-L153 WeakPolarHBondContact CA-O 3.37Å; K129-L153 HydrophobicContact CB-CB 4.12Å; K129-L153 HydrophobicContact CB-CD2 4.46Å; K129-L153 HydrophobicContact CD-CB 4.34Å; K129-L153 HydrophobicContact CD-CD1 4.13Å; K129-L153 HydrophobicContact CG-CB 4.08Å; K129-L153 PolarHBondContact N-O 3.07Å; K129-N154 PolarHBondContact N-OD1 3.39Å; K129-E466 WeakPolarHBondContact CD-OE1 3.29Å; K129-E466 VanDerWaalsContact CD-OE2 3.25Å; K129-E466 WeakPolarHBondContact CD-OE2 3.44Å; K129-E466 VanDerWaalsContact CE-CD 3.42Å; K129-E466 WeakPolarHBondContact CE-OE1 3.3Å; K129-E466 WeakPolarHBondContact CE-OE2 3.36Å; K129-E466 VanDerWaalsContact CG-OE2 3.26Å; K129-E466 WeakPolarHBondContact CG-OE2 3.45Å; K129-E466 IonicContact NZ-OE1 3.36Å; K129-E466 PolarHBondContact NZ-OE1 3.44Å; K129-E466 IonicContact NZ-OE2 2.71Å; K129-E466 PolarHBondContact NZ-OE2 3.49Å; K129-E466 VanDerWaalsContact NZ-OE2 3.13Å
130S88.4Confident93.6Very high14 Ų1425.3 Ų25.310%0.09814%0.141CC..BIsolated β-bridgetrans-153.4155.4180177.30000109M128 L153M128-S130 PolarHBondContact O-N 2.7Å; S130-L153 PolarHBondContact N-O 2.56Å; S130-L153 VanDerWaalsContact N-O 3.14Å
131A93Very high93.6Very high16 Ų1628.9 Ų28.913%0.13216%0.156CC..  trans-58.1147.1169.700000111.3V144 V147A131-V144 HydrophobicContact CB-CG1 3.56Å; A131-V147 HydrophobicContact CB-CG2 3.44Å; A131-V147 VanDerWaalsContact CB-CG2 3.44Å
132P95.7Very high93.6Very high1 Ų129.7 Ų29.71%0.00616%0.158CC..  trans-61.9150.6171.6-18.131.2000111.2L124 V125 L145 V155 A157L124-P132 HydrophobicContact CD1-CB 4.14Å; V125-P132 CarbonylContact O-C 3.45Å; V125-P132 WeakPolarHBondContact O-CA 3.43Å; P132-L145 HydrophobicContact CB-CD1 4.1Å; P132-L145 HydrophobicContact CB-CG 4.5Å; P132-L145 WeakPolarHBondContact O-CB 2.99Å; P132-L145 PolarHBondContact O-N 3.31Å; P132-V155 HydrophobicContact CG-CB 4.17Å; P132-V155 HydrophobicContact CG-CG1 3.79Å; P132-A157 HydrophobicContact CB-CB 3.88Å; P132-A157 HydrophobicContact CG-CB 3.77Å
133V96.2Very high93.4Very high0 Ų029.5 Ų29.50%016%0.161CC..EExtended strand (participates in β ladder)trans-127.8127.5-173.6-176.90000109.3F106 V125 P127 H142 V143 V144 L459F106-V133 HydrophobicContact CE1-CB 4.15Å; F106-V133 HydrophobicContact CE1-CG1 4.3Å; F106-V133 HydrophobicContact CE1-CG2 4.22Å; V125-V133 PolarHBondContact N-O 2.59Å; V125-V133 PolarHBondContact O-N 3.27Å; P127-V133 HydrophobicContact CG-CG2 4.43Å; V133-H142 HydrophobicContact CG1-CB 3.67Å; V133-V143 CarbonylContact C-O 3.56Å; V133-V143 WeakPolarHBondContact CA-O 3.35Å; V133-V144 HydrophobicContact CG2-CG2 4.41Å; V133-L459 HydrophobicContact CG2-CD1 4.19Å; V133-L459 HydrophobicContact CG2-CD2 3.78Å
134M96.8Very high93.3Very high7 Ų732.9 Ų32.93%0.03418%0.182CC..EExtended strand (participates in β ladder)trans-94.2116.4170.4-174174.962.400109.4K122 V123 H142 V143 L145 F159 I166 T180 Q183K122-M134 HydrophobicContact CD-SD 4.02Å; V123-M134 CarbonylContact O-C 3.59Å; M134-H142 CarbonylContact O-C 3.54Å; M134-H142 VanDerWaalsContact O-CA 3.28Å; M134-H142 WeakPolarHBondContact O-CA 3.46Å; M134-V143 HydrophobicContact CE-CB 4.5Å; M134-V143 PolarHBondContact N-O 3.2Å; M134-V143 PolarHBondContact O-N 3.03Å; M134-L145 HydrophobicContact CB-CD2 4.4Å; M134-F159 HydrophobicContact SD-CE1 4.49Å; M134-F159 HydrophobicContact SD-CZ 4.28Å; M134-I166 HydrophobicContact SD-CD1 4.24Å; M134-T180 WeakPolarHBondContact CE-O 3.31Å; M134-T180 HydrophobicContact SD-CG2 3.97Å; M134-Q183 VanDerWaalsContact CE-NE2 3.28Å
135L95.8Very high93.1Very high1 Ų133 Ų331%0.00518%0.182CC..EExtended strand (participates in β ladder)trans-90.3142.7174.9-67.2164.9000110.4F104 F106 K122 V123 V125 H142 I457F104-L135 HydrophobicContact CD1-CD2 4.24Å; F104-L135 HydrophobicContact CD2-CD1 4.36Å; F104-L135 HydrophobicContact CE1-CD2 4.45Å; F104-L135 HydrophobicContact CG-CD1 4.39Å; F106-L135 HydrophobicContact CE2-CD1 4.11Å; F106-L135 HydrophobicContact CZ-CD1 3.88Å; F106-L135 HydrophobicContact CZ-CD2 4.08Å; F106-L135 HydrophobicContact CZ-CG 4.18Å; K122-L135 VanDerWaalsContact CA-O 3.32Å; K122-L135 WeakPolarHBondContact CA-O 3.44Å; V123-L135 HydrophobicContact CB-CB 4.46Å; V123-L135 PolarHBondContact N-O 2.98Å; V123-L135 PolarHBondContact O-N 3.36Å; V125-L135 HydrophobicContact CG2-CD1 3.42Å; V125-L135 VanDerWaalsContact CG2-CD1 3.42Å; V125-L135 HydrophobicContact CG2-CG 4.11Å; L135-H142 HydrophobicContact CD2-CB 3.93Å; L135-I457 HydrophobicContact CD2-CD1 3.73Å; L135-I457 HydrophobicContact CD2-CG1 4.24Å
136T94.7Very high92.9Very high26 Ų2635.6 Ų35.616%0.1620%0.199CC..EExtended strand (participates in β ladder)trans-109.3118.1163.1-56.30000108.1N121 D139 S140 K141N121-T136 WeakPolarHBondContact ND2-CG2 3.45Å; N121-T136 CarbonylContact O-C 3.59Å; N121-T136 WeakPolarHBondContact O-CA 3.26Å; T136-D139 WeakPolarHBondContact CB-OD1 3.49Å; T136-D139 VanDerWaalsContact CG2-OD1 3.24Å; T136-D139 WeakPolarHBondContact CG2-OD1 3.43Å; T136-S140 VanDerWaalsContact O-CA 3.27Å; T136-S140 WeakPolarHBondContact O-CA 3.04Å; T136-S140 PolarHBondContact O-N 2.83Å; T136-K141 PolarHBondContact N-O 3.45Å; T136-K141 PolarHBondContact O-N 2.78Å
137L91.8Very high92.7Very high8 Ų837.3 Ų37.34%0.04221%0.21CC..THydrogen-bonded Turntrans-70.9-48.6-168.9-64.7166.9000111.5Q102 F104 Y115 Q120 N121 V123 D139 S140Q102-L137 VanDerWaalsContact CD-O 3.26Å; Q102-L137 VanDerWaalsContact NE2-C 3.31Å; Q102-L137 PolarHBondContact NE2-O 3.44Å; Q102-L137 VanDerWaalsContact OE1-CA 3.31Å; Q102-L137 PolarHBondContact OE1-O 3.4Å; F104-L137 HydrophobicContact CE2-CD2 3.66Å; F104-L137 HydrophobicContact CZ-CD2 4.19Å; Y115-L137 HydrophobicContact CE1-CD1 3.98Å; Q120-L137 WeakPolarHBondContact O-CD1 3.39Å; N121-L137 PolarHBondContact O-N 2.89Å; N121-L137 PolarHBondContact OD1-N 3.19Å; V123-L137 HydrophobicContact CG2-CD1 3.79Å; V123-L137 HydrophobicContact CG2-CD2 4.25Å; V123-L137 HydrophobicContact CG2-CG 4.17Å; L137-D139 VanDerWaalsContact C-N 3.32Å; L137-D139 PolarHBondContact O-N 3.18Å; L137-S140 PolarHBondContact O-N 3.25Å
138S90.5Very high92.4Very high85 Ų8541 Ų4159%0.59423%0.229SC*.THydrogen-bonded Turntrans-53.8-40.6-177.347.80000114.8N121N121-S138 VanDerWaalsContact CG-OG 3.22Å; N121-S138 PolarHBondContact ND2-OG 2.86Å; N121-S138 WeakPolarHBondContact OD1-CB 3.49Å; N121-S138 PolarHBondContact OD1-N 3.39Å; N121-S138 PolarHBondContact OD1-OG 2.87Å
139D90.4Very high92Very high69 Ų6943.1 Ų43.137%0.36924%0.241SC..THydrogen-bonded Turntrans-109.62.3-178.667.9-2.6000113.7T136 L137 K141T136-D139 WeakPolarHBondContact CB-OD1 3.49Å; T136-D139 VanDerWaalsContact CG2-OD1 3.24Å; T136-D139 WeakPolarHBondContact CG2-OD1 3.43Å; L137-D139 VanDerWaalsContact C-N 3.32Å; L137-D139 PolarHBondContact O-N 3.18Å; D139-K141 HydrophobicContact CB-CG 4.29Å; D139-K141 PolarHBondContact O-N 3.25Å; D139-K141 VanDerWaalsContact O-N 3.11Å; D139-K141 WeakPolarHBondContact OD1-CB 3.25Å; D139-K141 PolarHBondContact OD1-N 3.01Å; D139-K141 VanDerWaalsContact OD1-N 3.15Å; D139-K141 WeakPolarHBondContact OD2-CD 3.36Å; D139-K141 WeakPolarHBondContact OD2-CE 3.48Å; D139-K141 WeakPolarHBondContact OD2-CG 3.48Å; D139-K141 IonicContact OD2-NZ 3.56Å; D139-K141 PolarHBondContact OD2-NZ 2.81Å
140S90.8Very high91.5Very high41 Ų4147.6 Ų47.629%0.28727%0.269SS..THydrogen-bonded Turntrans53.526-177.5-61.50000113.7T136 L137T136-S140 VanDerWaalsContact O-CA 3.27Å; T136-S140 WeakPolarHBondContact O-CA 3.04Å; T136-S140 PolarHBondContact O-N 2.83Å; L137-S140 PolarHBondContact O-N 3.25Å
141K92.3Very high91.2Very high131 Ų13150.2 Ų50.257%0.5729%0.287SS*.EExtended strand (participates in β ladder)trans-83.5161.3173.8-67-172-163.9128.70110.8T136 D139T136-K141 PolarHBondContact N-O 3.45Å; T136-K141 PolarHBondContact O-N 2.78Å; D139-K141 HydrophobicContact CB-CG 4.29Å; D139-K141 PolarHBondContact O-N 3.25Å; D139-K141 VanDerWaalsContact O-N 3.11Å; D139-K141 WeakPolarHBondContact OD1-CB 3.25Å; D139-K141 PolarHBondContact OD1-N 3.01Å; D139-K141 VanDerWaalsContact OD1-N 3.15Å; D139-K141 WeakPolarHBondContact OD2-CD 3.36Å; D139-K141 WeakPolarHBondContact OD2-CE 3.48Å; D139-K141 WeakPolarHBondContact OD2-CG 3.48Å; D139-K141 IonicContact OD2-NZ 3.56Å; D139-K141 PolarHBondContact OD2-NZ 2.81Å
142H93.7Very high90.5Very high70 Ų7050 Ų5032%0.32428%0.284SS..EExtended strand (participates in β ladder)trans-140.6149.2176.666.8-89.3000111.1V133 M134 L135 I457V133-H142 HydrophobicContact CG1-CB 3.67Å; M134-H142 CarbonylContact O-C 3.54Å; M134-H142 VanDerWaalsContact O-CA 3.28Å; M134-H142 WeakPolarHBondContact O-CA 3.46Å; L135-H142 HydrophobicContact CD2-CB 3.93Å; H142-I457 HydrophobicContact CB-CD1 4.47Å
143V94.6Very high89.8Confident53 Ų5354 Ų5432%0.32131%0.305SS..EExtended strand (participates in β ladder)trans-122.1122.6172.8-1780000107.7V133 M134 Q183V133-V143 CarbonylContact C-O 3.56Å; V133-V143 WeakPolarHBondContact CA-O 3.35Å; M134-V143 HydrophobicContact CE-CB 4.5Å; M134-V143 PolarHBondContact N-O 3.2Å; M134-V143 PolarHBondContact O-N 3.03Å; V143-Q183 HydrophobicContact CG1-CG 3.93Å
144V94.6Very high89.4Confident70 Ų7057.5 Ų57.542%0.42432%0.323SS..EExtended strand (participates in β ladder)trans-80.8124172.9-175.80000107.8A131 V133 L459A131-V144 HydrophobicContact CB-CG1 3.56Å; V133-V144 HydrophobicContact CG2-CG2 4.41Å; V144-L459 HydrophobicContact CG2-CD2 3.87Å
145L94.7Very high89.3Confident3 Ų357.3 Ų57.32%0.01632%0.322CS..PPolyproline II helixtrans-74.5144.4-177.8-58.8-171.4000110.9L124 P132 M134 I166 T168 L178 Q183L124-L145 HydrophobicContact CD1-CD1 3.73Å; P132-L145 HydrophobicContact CB-CD1 4.1Å; P132-L145 HydrophobicContact CB-CG 4.5Å; P132-L145 WeakPolarHBondContact O-CB 2.99Å; P132-L145 PolarHBondContact O-N 3.31Å; M134-L145 HydrophobicContact CB-CD2 4.4Å; L145-I166 HydrophobicContact CD1-CB 4.4Å; L145-I166 HydrophobicContact CD1-CD1 3.8Å; L145-I166 HydrophobicContact CD1-CG2 3.72Å; L145-I166 HydrophobicContact CD2-CD1 4.07Å; L145-T168 HydrophobicContact CD1-CG2 4.37Å; L145-L178 HydrophobicContact CB-CD1 4.15Å; L145-L178 HydrophobicContact CD1-CD1 4.46Å; L145-Q183 HydrophobicContact CD2-CG 3.81Å
146P92.9Very high89.3Confident56 Ų5658.5 Ų58.536%0.36433%0.33SS..PPolyproline II helixtrans-62.3146.3175.626.4-35.3000111.7L178P146-L178 HydrophobicContact CG-CD1 3.67Å; P146-L178 HydrophobicContact CG-CD2 3.78Å; P146-L178 HydrophobicContact CG-CG 4.36Å
147V90.6Very high89.5Confident39 Ų3957.4 Ų57.424%0.23632%0.323CS..  trans-120.4148.1178-175.60000108.4A131 D149 D152 V155A131-V147 HydrophobicContact CB-CG2 3.44Å; A131-V147 VanDerWaalsContact CB-CG2 3.44Å; V147-D149 WeakPolarHBondContact CG1-O 3.45Å; V147-D152 HydrophobicContact CG1-CB 3.63Å; V147-V155 HydrophobicContact CG1-CG2 3.97Å; V147-V155 HydrophobicContact CG2-CG2 4.49Å
148D87.9Confident89.8Confident76 Ų7657.1 Ų57.141%0.40632%0.322SS..SBendtrans-65.7-44.8-176.7-169.548.4000111.8K174 L176D148-K174 HydrophobicContact CB-CG 4.11Å; D148-K174 WeakPolarHBondContact OD2-CD 3.38Å; D148-K174 VanDerWaalsContact OD2-CG 3.28Å; D148-K174 WeakPolarHBondContact OD2-CG 3.49Å; D148-L176 HydrophobicContact CB-CD1 4.08Å; D148-L176 HydrophobicContact CB-CD2 4.25Å; D148-L176 HydrophobicContact CB-CG 4.46Å
149D81.4Confident90.1Very high68 Ų6853.1 Ų53.136%0.36429%0.293SS..SBendtrans-133.3127.4-178.5-176.2-25000108.5V147 S151 D152 K172V147-D149 WeakPolarHBondContact CG1-O 3.45Å; D149-S151 PolarHBondContact O-N 3.41Å; D149-S151 WeakPolarHBondContact OD1-CB 3.47Å; D149-S151 PolarHBondContact OD1-N 3.11Å; D149-S151 PolarHBondContact OD1-OG 2.91Å; D149-S151 PolarHBondContact OD2-OG 3.34Å; D149-D152 VanDerWaalsContact O-CB 3.29Å; D149-D152 WeakPolarHBondContact O-CB 3.46Å; D149-D152 PolarHBondContact O-N 3.05Å; D149-K172 VanDerWaalsContact CG-NZ 3.27Å; D149-K172 IonicContact OD1-NZ 3.2Å; D149-K172 IonicContact OD2-NZ 3.11Å; D149-K172 PolarHBondContact OD2-NZ 3.07Å
150D75.9Confident90.5Very high166 Ų16651 Ų5189%0.88828%0.282SS*.THydrogen-bonded Turntrans-57.4-18.3-178.7-65.4-37.3000113D152D150-D152 VanDerWaalsContact C-N 3.32Å
151S81.3Confident90.6Very high69 Ų6951.4 Ų51.448%0.48328%0.277SS..THydrogen-bonded Turntrans-80.7-5.4174.765.80000114.8D149 L153 K172D149-S151 PolarHBondContact O-N 3.41Å; D149-S151 WeakPolarHBondContact OD1-CB 3.47Å; D149-S151 PolarHBondContact OD1-N 3.11Å; D149-S151 PolarHBondContact OD1-OG 2.91Å; D149-S151 PolarHBondContact OD2-OG 3.34Å; S151-L153 PolarHBondContact O-N 2.75Å; S151-K172 PolarHBondContact OG-NZ 2.5Å
152D79.1Confident90.7Very high12 Ų1249.4 Ų49.46%0.06427%0.266CS..  trans-77.492.5-178.9-67.7-26.3000111.3V147 D149 D150 V155 N170 K172V147-D152 HydrophobicContact CG1-CB 3.63Å; D149-D152 VanDerWaalsContact O-CB 3.29Å; D149-D152 WeakPolarHBondContact O-CB 3.46Å; D149-D152 PolarHBondContact O-N 3.05Å; D150-D152 VanDerWaalsContact C-N 3.32Å; D152-V155 HydrophobicContact CB-CG2 3.96Å; D152-N170 HydrophobicContact CB-CB 4.11Å; D152-N170 WeakPolarHBondContact OD2-CB 3.23Å; D152-N170 PolarHBondContact OD2-ND2 3.36Å; D152-K172 WeakPolarHBondContact OD1-CE 3.45Å; D152-K172 IonicContact OD1-NZ 3.14Å; D152-K172 PolarHBondContact OD1-NZ 3.4Å
153L80.3Confident90.8Very high85 Ų8546.1 Ų46.145%0.44525%0.251SS..  trans-72.1-41.5-179.9-61.1178.4000111.9K129 S130 S151K129-L153 CarbonylContact C-O 3.52Å; K129-L153 VanDerWaalsContact C-O 3.28Å; K129-L153 WeakPolarHBondContact CA-O 3.37Å; K129-L153 HydrophobicContact CB-CB 4.12Å; K129-L153 HydrophobicContact CB-CD2 4.46Å; K129-L153 HydrophobicContact CD-CB 4.34Å; K129-L153 HydrophobicContact CD-CD1 4.13Å; K129-L153 HydrophobicContact CG-CB 4.08Å; K129-L153 PolarHBondContact N-O 3.07Å; S130-L153 PolarHBondContact N-O 2.56Å; S130-L153 VanDerWaalsContact N-O 3.14Å; S151-L153 PolarHBondContact O-N 2.75Å
154N87.8Confident90.9Very high73 Ų7347.4 Ų47.439%0.3925%0.254SS..BIsolated β-bridgetrans-108.597.3-174.3-66.9-37.4000110.5K129 A171K129-N154 PolarHBondContact N-OD1 3.39Å; N154-A171 PolarHBondContact O-N 2.96Å
155V94.2Very high91.1Very high3 Ų347 Ų472%0.01825%0.245CC..EExtended strand (participates in β ladder)trans-115.8123176.6-176.80000108.8P132 V147 D152 G169 N170P132-V155 HydrophobicContact CG-CB 4.17Å; P132-V155 HydrophobicContact CG-CG1 3.79Å; V147-V155 HydrophobicContact CG1-CG2 3.97Å; V147-V155 HydrophobicContact CG2-CG2 4.49Å; D152-V155 HydrophobicContact CB-CG2 3.96Å; V155-G169 WeakPolarHBondContact CA-O 3.5Å; V155-N170 HydrophobicContact CG2-CB 4.21Å
156V96.4Very high91.2Very high26 Ų2647 Ų4716%0.15825%0.245CC..EExtended strand (participates in β ladder)trans-94.4148.1169.8-64.40000109.3T168 G169 I201 I204V156-T168 CarbonylContact O-C 3.58Å; V156-T168 VanDerWaalsContact O-CA 3.26Å; V156-T168 WeakPolarHBondContact O-CA 3.28Å; V156-G169 WeakPolarHBondContact CG2-O 3.29Å; V156-G169 PolarHBondContact N-O 3.42Å; V156-G169 PolarHBondContact O-N 3.26Å; V156-I201 HydrophobicContact CG2-CB 4.31Å; V156-I201 HydrophobicContact CG2-CG2 3.72Å; V156-I204 HydrophobicContact CG2-CD1 4.35Å; V156-I204 HydrophobicContact CG2-CG1 4.25Å
157A97.8Very high91.5Very high3 Ų344.4 Ų44.43%0.02523%0.228CC..EExtended strand (participates in β ladder)trans-138.4153.217600000112L124 C126 P132 I166 Y167 T168L124-A157 HydrophobicContact CD1-CB 4.39Å; L124-A157 HydrophobicContact CD2-CB 3.78Å; L124-A157 HydrophobicContact CG-CB 4.41Å; C126-A157 PolarHBondContact SG-N 3.13Å; C126-A157 VanDerWaalsContact SG-N 3.37Å; P132-A157 HydrophobicContact CB-CB 3.88Å; P132-A157 HydrophobicContact CG-CB 3.77Å; A157-I166 HydrophobicContact CB-CG2 4.14Å; A157-Y167 CarbonylContact C-O 3.6Å; A157-Y167 WeakPolarHBondContact CA-O 3.29Å; A157-T168 HydrophobicContact CB-CG2 3.89Å
158S98.3Very high91.8Very high1 Ų142.8 Ų42.81%0.00722%0.218CC..EExtended strand (participates in β ladder)trans-145.7140.1172.3-175.20000110.1Q114 Y167Q114-S158 PolarHBondContact NE2-OG 3.43Å; Q114-S158 VanDerWaalsContact NE2-OG 3.17Å; Q114-S158 VanDerWaalsContact OE1-CA 3.25Å; Q114-S158 PolarHBondContact OE1-OG 2.82Å; S158-Y167 PolarHBondContact N-O 3.03Å; S158-Y167 PolarHBondContact O-N 3.48Å
159F98.2Very high92.2Very high1 Ų139.2 Ų39.20%0.00420%0.199CC..EExtended strand (participates in β ladder)trans-60.4147.6158.1-70.5-66.3000110.1Q114 H116 P117 L124 M134 Y165 I166 T180 F206Q114-F159 HydrophobicContact CG-CD2 4.24Å; H116-F159 HydrophobicContact CB-CD2 4.32Å; H116-F159 HydrophobicContact CB-CE1 4.35Å; H116-F159 HydrophobicContact CB-CE2 3.83Å; H116-F159 HydrophobicContact CB-CZ 3.86Å; H116-F159 AromaticContact CD2-CD1 3.92Å; H116-F159 AromaticContact CD2-CE1 3.59Å; H116-F159 AromaticContact CD2-CZ 3.95Å; P117-F159 HydrophobicContact CG-CB 4.47Å; L124-F159 HydrophobicContact CB-CD2 4.05Å; L124-F159 HydrophobicContact CB-CE2 3.37Å; L124-F159 HydrophobicContact CB-CZ 3.84Å; L124-F159 HydrophobicContact CD2-CD2 4.3Å; L124-F159 HydrophobicContact CD2-CE2 4.29Å; L124-F159 HydrophobicContact CG-CE2 4.47Å; M134-F159 HydrophobicContact SD-CE1 4.49Å; M134-F159 HydrophobicContact SD-CZ 4.28Å; F159-Y165 WeakPolarHBondContact CA-O 3.3Å; F159-I166 HydrophobicContact CD1-CD1 4.33Å; F159-I166 HydrophobicContact CD1-CG1 3.72Å; F159-I166 HydrophobicContact CE1-CD1 3.69Å; F159-I166 HydrophobicContact CE1-CG1 3.59Å; F159-I166 HydrophobicContact CZ-CD1 4.33Å; F159-T180 HydrophobicContact CE1-CG2 3.8Å; F159-F206 WeakPolarHBondContact O-CD2 3.34Å
160D96.9Very high92.9Very high24 Ų2436.2 Ų36.213%0.12818%0.183CC..  trans-68.9173.8161.579.8-28.1000110.6R162 G163 E164 Y165 Y167 F206D160-R162 PolarHBondContact O-N 2.92Å; D160-R162 VanDerWaalsContact O-N 3.08Å; D160-G163 PolarHBondContact O-N 3.27Å; D160-G163 VanDerWaalsContact O-N 3.14Å; D160-G163 VanDerWaalsContact OD1-C 3.29Å; D160-G163 WeakPolarHBondContact OD1-CA 3.21Å; D160-G163 PolarHBondContact OD1-N 3.09Å; D160-E164 PolarHBondContact OD1-N 3.47Å; D160-Y165 PolarHBondContact N-O 2.99Å; D160-Y165 PolarHBondContact OD1-N 3.14Å; D160-Y167 HydrophobicContact CB-CD2 4.45Å; D160-Y167 HydrophobicContact CB-CE2 4.19Å; D160-F206 HydrophobicContact CB-CD1 4Å; D160-F206 HydrophobicContact CB-CE1 3.63Å; D160-F206 HydrophobicContact CB-CE2 4.48Å; D160-F206 HydrophobicContact CB-CZ 3.92Å
161R94.7Very high93.7Very high50 Ų5030.5 Ų30.519%0.18916%0.159CC..THydrogen-bonded Turntrans-52.4-36.3-176.6-178.5-176.860.280-3113.1P117 R208 G210 S388 S389 D390P117-R161 WeakPolarHBondContact CB-O 3.36Å; P117-R161 WeakPolarHBondContact CG-O 3.35Å; R161-R208 WeakPolarHBondContact CD-O 3.49Å; R161-G210 WeakPolarHBondContact CD-O 3.19Å; R161-G210 PolarHBondContact NE-O 2.75Å; R161-S388 PolarHBondContact NH1-OG 2.89Å; R161-S389 PolarHBondContact NH2-OG 3.33Å; R161-D390 IonicContact CZ-OD1 3.59Å; R161-D390 IonicContact NH1-OD1 2.79Å; R161-D390 PolarHBondContact NH1-OD1 2.78Å; R161-D390 IonicContact NH1-OD2 3.69Å; R161-D390 IonicContact NH2-OD1 3.2Å; R161-D390 IonicContact NH2-OD2 2.68Å
162R94.1Very high94.3Very high89 Ų8930.4 Ų30.434%0.33615%0.15SC..THydrogen-bonded Turntrans-95.2-16.1-176-71175.254.2144.7-11.6113.8P117 R118 D160 E164 D390P117-R162 VanDerWaalsContact CG-C 3.48Å; R118-R162 WeakPolarHBondContact CD-O 3.45Å; R118-R162 WeakPolarHBondContact CG-O 3.42Å; D160-R162 PolarHBondContact O-N 2.92Å; D160-R162 VanDerWaalsContact O-N 3.08Å; R162-E164 VanDerWaalsContact C-N 3.31Å; R162-E164 HydrophobicContact CB-CG 3.85Å; R162-E164 IonicContact NE-OE1 2.66Å; R162-E164 IonicContact NH2-OE1 3.89Å; R162-E164 PolarHBondContact NH2-OE1 3.3Å; R162-D390 WeakPolarHBondContact CD-OD2 3.27Å; R162-D390 IonicContact CZ-OD2 2.59Å; R162-D390 IonicContact NE-OD2 2.79Å; R162-D390 IonicContact NH1-OD2 3.35Å; R162-D390 PolarHBondContact NH1-OD2 2.93Å
163G95.7Very high95Very high1 Ų129.9 Ų29.91%0.0115%0.147CC..SBendtrans80.38.5-173.400000113.9H116 P117 D160 Y165 T180H116-G163 WeakPolarHBondContact NE2-CA 3.47Å; H116-G163 PolarHBondContact NE2-O 2.95Å; P117-G163 VanDerWaalsContact CG-N 3.29Å; D160-G163 PolarHBondContact O-N 3.27Å; D160-G163 VanDerWaalsContact O-N 3.14Å; D160-G163 VanDerWaalsContact OD1-C 3.29Å; D160-G163 WeakPolarHBondContact OD1-CA 3.21Å; D160-G163 PolarHBondContact OD1-N 3.09Å; G163-Y165 VanDerWaalsContact C-N 3.28Å; G163-Y165 PolarHBondContact O-N 3.07Å; G163-T180 WeakPolarHBondContact O-CB 3.04Å; G163-T180 PolarHBondContact O-OG1 2.84Å
164E96.4Very high95.7Very high81 Ų8126.6 Ų26.638%0.37913%0.129SC..SBendtrans-69.8-31.9179.1-59.1-69.9169.600111.2D160 R162 T180D160-E164 PolarHBondContact OD1-N 3.47Å; R162-E164 VanDerWaalsContact C-N 3.31Å; R162-E164 HydrophobicContact CB-CG 3.85Å; R162-E164 IonicContact NE-OE1 2.66Å; R162-E164 IonicContact NH2-OE1 3.89Å; R162-E164 PolarHBondContact NH2-OE1 3.3Å; E164-T180 PolarHBondContact O-N 2.83Å; E164-T180 PolarHBondContact O-OG1 3.21Å
165Y98Very high96.1Very high62 Ų6223.1 Ų23.124%0.24311%0.11CC..EExtended strand (participates in β ladder)trans-128.7150.8-178.2-55.8-76.8000112F159 D160 G163 V177 L178 K179 T180 V186 L231F159-Y165 WeakPolarHBondContact CA-O 3.3Å; D160-Y165 PolarHBondContact N-O 2.99Å; D160-Y165 PolarHBondContact OD1-N 3.14Å; G163-Y165 VanDerWaalsContact C-N 3.28Å; G163-Y165 PolarHBondContact O-N 3.07Å; Y165-V177 HydrophobicContact CD1-CG1 4.2Å; Y165-V177 HydrophobicContact CG-CG1 4.2Å; Y165-L178 CarbonylContact C-O 3.53Å; Y165-L178 WeakPolarHBondContact CA-O 3.2Å; Y165-K179 HydrophobicContact CD1-CB 4.44Å; Y165-K179 HydrophobicContact CD1-CG 4.4Å; Y165-K179 HydrophobicContact CE1-CG 4.22Å; Y165-T180 PolarHBondContact N-OG1 2.84Å; Y165-V186 HydrophobicContact CD1-CG2 3.72Å; Y165-V186 HydrophobicContact CE1-CG1 4.31Å; Y165-V186 HydrophobicContact CE1-CG2 3.76Å; Y165-L231 HydrophobicContact CD1-CD2 4.34Å; Y165-L231 HydrophobicContact CD2-CD1 4.19Å; Y165-L231 HydrophobicContact CE1-CD2 4.07Å; Y165-L231 HydrophobicContact CE2-CD1 3.62Å; Y165-L231 HydrophobicContact CE2-CD2 4.25Å
166I98.3Very high96.2Very high1 Ų123.4 Ų23.41%0.00511%0.112CC..EExtended strand (participates in β ladder)trans-112.4120.2170.5-51.2179000108.2L124 M134 L145 A157 F159 T168 L178 T180L124-I166 HydrophobicContact CD2-CG2 3.89Å; M134-I166 HydrophobicContact SD-CD1 4.24Å; L145-I166 HydrophobicContact CD1-CB 4.4Å; L145-I166 HydrophobicContact CD1-CD1 3.8Å; L145-I166 HydrophobicContact CD1-CG2 3.72Å; L145-I166 HydrophobicContact CD2-CD1 4.07Å; A157-I166 HydrophobicContact CB-CG2 4.14Å; F159-I166 HydrophobicContact CD1-CD1 4.33Å; F159-I166 HydrophobicContact CD1-CG1 3.72Å; F159-I166 HydrophobicContact CE1-CD1 3.69Å; F159-I166 HydrophobicContact CE1-CG1 3.59Å; F159-I166 HydrophobicContact CZ-CD1 4.33Å; I166-T168 HydrophobicContact CG2-CG2 4.2Å; I166-L178 PolarHBondContact N-O 2.92Å; I166-L178 PolarHBondContact O-N 3.27Å; I166-T180 HydrophobicContact CD1-CG2 4.42Å; I166-T180 WeakPolarHBondContact CG1-OG1 3.33Å
167Y98.2Very high96.3Very high3 Ų322.1 Ų22.11%0.01210%0.104CC..EExtended strand (participates in β ladder)trans-94.5121.6174.5-76.6-118.2000108.4A157 S158 D160 I175 L176 V177 F206 F213 I230A157-Y167 CarbonylContact C-O 3.6Å; A157-Y167 WeakPolarHBondContact CA-O 3.29Å; S158-Y167 PolarHBondContact N-O 3.03Å; S158-Y167 PolarHBondContact O-N 3.48Å; D160-Y167 HydrophobicContact CB-CD2 4.45Å; D160-Y167 HydrophobicContact CB-CE2 4.19Å; Y167-I175 HydrophobicContact CD1-CG2 4.26Å; Y167-L176 CarbonylContact C-O 3.52Å; Y167-L176 WeakPolarHBondContact CA-O 3.26Å; Y167-V177 HydrophobicContact CD1-CG2 3.71Å; Y167-V177 HydrophobicContact CD2-CG1 4.01Å; Y167-V177 HydrophobicContact CE1-CB 4.47Å; Y167-V177 HydrophobicContact CE1-CG1 4.23Å; Y167-V177 HydrophobicContact CE1-CG2 3.44Å; Y167-V177 VanDerWaalsContact CE1-CG2 3.44Å; Y167-V177 HydrophobicContact CE2-CG1 3.55Å; Y167-V177 HydrophobicContact CE2-CG2 4.3Å; Y167-V177 HydrophobicContact CG-CG2 4.25Å; Y167-F206 AromaticContact CD1-CZ 3.97Å; Y167-F206 HydrophobicContact CD1-CZ 3.97Å; Y167-F206 HydrophobicContact CD2-CE1 4.38Å; Y167-F206 HydrophobicContact CD2-CE2 4.02Å; Y167-F206 AromaticContact CD2-CZ 3.41Å; Y167-F206 HydrophobicContact CD2-CZ 3.41Å; Y167-F206 VanDerWaalsContact CD2-CZ 3.41Å; Y167-F206 HydrophobicContact CE1-CZ 4.13Å; Y167-F206 HydrophobicContact CE2-CE1 4.18Å; Y167-F206 AromaticContact CE2-CZ 3.61Å; Y167-F206 HydrophobicContact CE2-CZ 3.61Å; Y167-F206 HydrophobicContact CG-CE2 4.03Å; Y167-F206 AromaticContact CG-CZ 3.61Å; Y167-F206 HydrophobicContact CG-CZ 3.61Å; Y167-F206 AromaticContact CZ-CZ 3.98Å; Y167-F213 HydrophobicContact CD1-CE2 4.12Å; Y167-F213 HydrophobicContact CD1-CZ 4.1Å; Y167-F213 AromaticContact CE1-CE1 3.9Å; Y167-F213 HydrophobicContact CE1-CE1 3.9Å; Y167-F213 HydrophobicContact CE1-CE2 4.22Å; Y167-F213 AromaticContact CE1-CZ 3.74Å; Y167-F213 HydrophobicContact CE1-CZ 3.74Å; Y167-I230 HydrophobicContact CE1-CG2 4.38Å
168T97.6Very high96.3Very high5 Ų522 Ų223%0.03110%0.103CC..EExtended strand (participates in β ladder)trans-112.4147.7175750000110.2L145 V156 A157 I166 I175 L176 L178L145-T168 HydrophobicContact CD1-CG2 4.37Å; V156-T168 CarbonylContact O-C 3.58Å; V156-T168 VanDerWaalsContact O-CA 3.26Å; V156-T168 WeakPolarHBondContact O-CA 3.28Å; A157-T168 HydrophobicContact CB-CG2 3.89Å; I166-T168 HydrophobicContact CG2-CG2 4.2Å; T168-I175 CarbonylContact O-C 3.59Å; T168-I175 VanDerWaalsContact O-CA 3.23Å; T168-I175 WeakPolarHBondContact O-CA 3.36Å; T168-L176 PolarHBondContact N-O 3.24Å; T168-L176 PolarHBondContact O-N 2.91Å; T168-L176 WeakPolarHBondContact OG1-CB 3.49Å; T168-L178 HydrophobicContact CG2-CD1 4.06Å
169G96.4Very high96.3Very high0 Ų025.5 Ų25.50%012%0.118CC..EExtended strand (participates in β ladder)trans-141.1129.4179.600000112V155 V156 K174V155-G169 WeakPolarHBondContact CA-O 3.5Å; V156-G169 WeakPolarHBondContact CG2-O 3.29Å; V156-G169 PolarHBondContact N-O 3.42Å; V156-G169 PolarHBondContact O-N 3.26Å; G169-K174 WeakPolarHBondContact CA-O 3.38Å
170N95Very high96.2Very high6 Ų625.8 Ų25.83%0.03212%0.12CC..EExtended strand (participates in β ladder)trans-100.2175.9-175.572.39000113.5D152 V155 K172 G173 K174 I201D152-N170 HydrophobicContact CB-CB 4.11Å; D152-N170 WeakPolarHBondContact OD2-CB 3.23Å; D152-N170 PolarHBondContact OD2-ND2 3.36Å; V155-N170 HydrophobicContact CG2-CB 4.21Å; N170-K172 PolarHBondContact O-N 2.92Å; N170-K172 VanDerWaalsContact OD1-C 3.25Å; N170-K172 WeakPolarHBondContact OD1-CA 3.41Å; N170-K172 PolarHBondContact OD1-N 3.45Å; N170-G173 PolarHBondContact O-N 3.42Å; N170-G173 PolarHBondContact OD1-N 2.82Å; N170-K174 PolarHBondContact N-O 3.1Å; N170-K174 VanDerWaalsContact N-O 3.09Å; N170-K174 WeakPolarHBondContact ND2-CB 3.47Å; N170-K174 WeakPolarHBondContact OD1-CB 3.44Å; N170-K174 PolarHBondContact OD1-N 3.14Å; N170-K174 PolarHBondContact OD1-O 3.21Å; N170-I201 WeakPolarHBondContact O-CG1 3.29Å; N170-I201 PolarHBondContact O-N 2.79Å; N170-I201 VanDerWaalsContact O-N 3.14Å
171A93.3Very high96.1Very high45 Ų4529.3 Ų29.337%0.37214%0.139SC..THydrogen-bonded Turntrans-68-11.717600000114.5N154 A200N154-A171 PolarHBondContact O-N 2.96Å; A171-A200 HydrophobicContact CB-CB 4.36Å; A171-A200 VanDerWaalsContact O-CA 3.23Å; A171-A200 WeakPolarHBondContact O-CA 3.23Å; A171-A200 VanDerWaalsContact O-CB 3.3Å; A171-A200 WeakPolarHBondContact O-CB 3.34Å
172K92.6Very high96.1Very high68 Ų6829 Ų2930%0.29614%0.144SC..THydrogen-bonded Turntrans-99.36.7178-59.9173.1-173.7136.70112.8D149 S151 D152 N170 K174 T198D149-K172 VanDerWaalsContact CG-NZ 3.27Å; D149-K172 IonicContact OD1-NZ 3.2Å; D149-K172 IonicContact OD2-NZ 3.11Å; D149-K172 PolarHBondContact OD2-NZ 3.07Å; S151-K172 PolarHBondContact OG-NZ 2.5Å; D152-K172 WeakPolarHBondContact OD1-CE 3.45Å; D152-K172 IonicContact OD1-NZ 3.14Å; D152-K172 PolarHBondContact OD1-NZ 3.4Å; N170-K172 PolarHBondContact O-N 2.92Å; N170-K172 VanDerWaalsContact OD1-C 3.25Å; N170-K172 WeakPolarHBondContact OD1-CA 3.41Å; N170-K172 PolarHBondContact OD1-N 3.45Å; K172-K174 VanDerWaalsContact C-N 3.31Å; K172-K174 PolarHBondContact O-N 2.8Å; K172-T198 HydrophobicContact CB-CG2 4.46Å; K172-T198 WeakPolarHBondContact O-CB 3.29Å; K172-T198 WeakPolarHBondContact O-CG2 3.4Å
173G93.8Very high96.2Very high0 Ų026.7 Ų26.70%014%0.137CC..SBendtrans78.28.9177.500000115.2N170 R190 V191 T199N170-G173 PolarHBondContact O-N 3.42Å; N170-G173 PolarHBondContact OD1-N 2.82Å; G173-R190 WeakPolarHBondContact O-CA 3.4Å; G173-V191 PolarHBondContact O-N 2.94Å; G173-T199 WeakPolarHBondContact CA-O 3.5Å; G173-T199 PolarHBondContact N-O 2.85Å; G173-T199 VanDerWaalsContact N-O 3.13Å
174K95.3Very high96.2Very high16 Ų1631.4 Ų31.47%0.0716%0.162CC..EExtended strand (participates in β ladder)trans-74.9135.2170.4-170.581171.4178.40109.1D148 G169 N170 K172 L176 D236D148-K174 HydrophobicContact CB-CG 4.11Å; D148-K174 WeakPolarHBondContact OD2-CD 3.38Å; D148-K174 VanDerWaalsContact OD2-CG 3.28Å; D148-K174 WeakPolarHBondContact OD2-CG 3.49Å; G169-K174 WeakPolarHBondContact CA-O 3.38Å; N170-K174 PolarHBondContact N-O 3.1Å; N170-K174 VanDerWaalsContact N-O 3.09Å; N170-K174 WeakPolarHBondContact ND2-CB 3.47Å; N170-K174 WeakPolarHBondContact OD1-CB 3.44Å; N170-K174 PolarHBondContact OD1-N 3.14Å; N170-K174 PolarHBondContact OD1-O 3.21Å; K172-K174 VanDerWaalsContact C-N 3.31Å; K172-K174 PolarHBondContact O-N 2.8Å; K174-L176 HydrophobicContact CG-CD2 3.93Å; K174-D236 IonicContact NZ-OD1 3.81Å; K174-D236 PolarHBondContact NZ-OD1 2.79Å
175I97Very high96.2Very high0 Ų029.9 Ų29.90%016%0.156CC..EExtended strand (participates in β ladder)trans-112.5130.3169.5-56.7-63.8000108.4Y167 T168 S188 F189 V191 I201 I204 I215Y167-I175 HydrophobicContact CD1-CG2 4.26Å; T168-I175 CarbonylContact O-C 3.59Å; T168-I175 VanDerWaalsContact O-CA 3.23Å; T168-I175 WeakPolarHBondContact O-CA 3.36Å; I175-S188 VanDerWaalsContact O-CA 3.29Å; I175-S188 WeakPolarHBondContact O-CA 3.41Å; I175-F189 HydrophobicContact CB-CD1 3.9Å; I175-F189 HydrophobicContact CB-CE1 3.56Å; I175-F189 HydrophobicContact CB-CE2 4.3Å; I175-F189 HydrophobicContact CB-CG 4.41Å; I175-F189 HydrophobicContact CB-CZ 3.79Å; I175-F189 HydrophobicContact CG1-CE1 4.04Å; I175-F189 HydrophobicContact CG1-CE2 4Å; I175-F189 HydrophobicContact CG1-CZ 3.7Å; I175-F189 HydrophobicContact CG2-CD1 4.15Å; I175-F189 HydrophobicContact CG2-CE1 3.5Å; I175-F189 VanDerWaalsContact CG2-CE1 3.5Å; I175-F189 HydrophobicContact CG2-CZ 3.95Å; I175-F189 PolarHBondContact N-O 3Å; I175-F189 PolarHBondContact O-N 2.77Å; I175-V191 HydrophobicContact CG1-CG2 3.94Å; I175-I201 HydrophobicContact CD1-CD1 3.97Å; I175-I201 HydrophobicContact CD1-CG1 3.76Å; I175-I201 HydrophobicContact CD1-CG2 4.28Å; I175-I204 HydrophobicContact CD1-CD1 4.15Å; I175-I215 HydrophobicContact CD1-CD1 3.94Å; I175-I215 HydrophobicContact CG1-CD1 3.97Å
176L97.2Very high96.2Very high9 Ų929.2 Ų29.25%0.04716%0.158CC..EExtended strand (participates in β ladder)trans-113.1140.1169.6-51.5-178.8000109D148 Y167 T168 K174 L178 L185D148-L176 HydrophobicContact CB-CD1 4.08Å; D148-L176 HydrophobicContact CB-CD2 4.25Å; D148-L176 HydrophobicContact CB-CG 4.46Å; Y167-L176 CarbonylContact C-O 3.52Å; Y167-L176 WeakPolarHBondContact CA-O 3.26Å; T168-L176 PolarHBondContact N-O 3.24Å; T168-L176 PolarHBondContact O-N 2.91Å; T168-L176 WeakPolarHBondContact OG1-CB 3.49Å; K174-L176 HydrophobicContact CG-CD2 3.93Å; L176-L178 HydrophobicContact CB-CD2 4.34Å; L176-L185 HydrophobicContact CB-CD1 3.77Å; L176-L185 HydrophobicContact CD2-CD1 3.95Å; L176-L185 HydrophobicContact CG-CD1 4.3Å
177V98Very high96.1Very high0 Ų029.1 Ų29.10%016%0.158CC..EExtended strand (participates in β ladder)trans-113.2113.1172.3-171.60000107.1Y165 Y167 V186 A187 I230 L231Y165-V177 HydrophobicContact CD1-CG1 4.2Å; Y165-V177 HydrophobicContact CG-CG1 4.2Å; Y167-V177 HydrophobicContact CD1-CG2 3.71Å; Y167-V177 HydrophobicContact CD2-CG1 4.01Å; Y167-V177 HydrophobicContact CE1-CB 4.47Å; Y167-V177 HydrophobicContact CE1-CG1 4.23Å; Y167-V177 HydrophobicContact CE1-CG2 3.44Å; Y167-V177 VanDerWaalsContact CE1-CG2 3.44Å; Y167-V177 HydrophobicContact CE2-CG1 3.55Å; Y167-V177 HydrophobicContact CE2-CG2 4.3Å; Y167-V177 HydrophobicContact CG-CG2 4.25Å; V177-V186 HydrophobicContact CB-CG2 3.96Å; V177-V186 HydrophobicContact CG1-CG2 3.64Å; V177-V186 WeakPolarHBondContact O-CG2 3.42Å; V177-V186 PolarHBondContact O-N 2.84Å; V177-A187 HydrophobicContact CB-CB 3.98Å; V177-A187 HydrophobicContact CG2-CB 4.02Å; V177-A187 PolarHBondContact N-O 2.97Å; V177-A187 PolarHBondContact O-N 3.23Å; V177-I230 HydrophobicContact CG2-CG2 3.82Å; V177-L231 HydrophobicContact CG1-CD2 4.01Å
178L97.8Very high96.1Very high1 Ų129 Ų291%0.00516%0.158CC..EExtended strand (participates in β ladder)trans-107.8142.5-177.4-52.1175.3000109L145 P146 Y165 I166 T168 L176 D184 L185L145-L178 HydrophobicContact CB-CD1 4.15Å; L145-L178 HydrophobicContact CD1-CD1 4.46Å; P146-L178 HydrophobicContact CG-CD1 3.67Å; P146-L178 HydrophobicContact CG-CD2 3.78Å; P146-L178 HydrophobicContact CG-CG 4.36Å; Y165-L178 CarbonylContact C-O 3.53Å; Y165-L178 WeakPolarHBondContact CA-O 3.2Å; I166-L178 PolarHBondContact N-O 2.92Å; I166-L178 PolarHBondContact O-N 3.27Å; T168-L178 HydrophobicContact CG2-CD1 4.06Å; L176-L178 HydrophobicContact CB-CD2 4.34Å; L178-D184 CarbonylContact C-O 3.58Å; L178-D184 WeakPolarHBondContact CA-O 3.28Å; L178-L185 HydrophobicContact CD2-CB 4.2Å; L178-L185 HydrophobicContact CD2-CD1 3.81Å
179K97.5Very high96Very high73 Ų7329 Ų2932%0.31716%0.157SC..EExtended strand (participates in β ladder)trans-74.2132168.9-157.5-175.6174.3-141.90109.4Y165 D181 Q183 D184 V186Y165-K179 HydrophobicContact CD1-CB 4.44Å; Y165-K179 HydrophobicContact CD1-CG 4.4Å; Y165-K179 HydrophobicContact CE1-CG 4.22Å; K179-D181 VanDerWaalsContact C-N 3.33Å; K179-D181 WeakPolarHBondContact CD-OD1 2.92Å; K179-D181 WeakPolarHBondContact CE-OD1 3.14Å; K179-D181 WeakPolarHBondContact CE-OD2 3.21Å; K179-D181 WeakPolarHBondContact CG-OD1 3.41Å; K179-D181 IonicContact NZ-OD1 3.07Å; K179-D181 PolarHBondContact NZ-OD1 3.45Å; K179-D181 IonicContact NZ-OD2 2.75Å; K179-D181 PolarHBondContact NZ-OD2 2.87Å; K179-D181 PolarHBondContact O-N 3.39Å; K179-Q183 WeakPolarHBondContact O-CA 3.3Å; K179-Q183 PolarHBondContact O-N 3.21Å; K179-D184 PolarHBondContact N-O 2.83Å; K179-V186 HydrophobicContact CB-CG1 4.1Å
180T96.9Very high95.9Very high7 Ų736 Ų364%0.04318%0.184CC..THydrogen-bonded Turntrans-61.8-37.1-170.5-67.30000113.9M134 F159 G163 E164 Y165 I166 Q183M134-T180 WeakPolarHBondContact CE-O 3.31Å; M134-T180 HydrophobicContact SD-CG2 3.97Å; F159-T180 HydrophobicContact CE1-CG2 3.8Å; G163-T180 WeakPolarHBondContact O-CB 3.04Å; G163-T180 PolarHBondContact O-OG1 2.84Å; E164-T180 PolarHBondContact O-N 2.83Å; E164-T180 PolarHBondContact O-OG1 3.21Å; Y165-T180 PolarHBondContact N-OG1 2.84Å; I166-T180 HydrophobicContact CD1-CG2 4.42Å; I166-T180 WeakPolarHBondContact CG1-OG1 3.33Å; T180-Q183 PolarHBondContact O-NE2 2.88Å
181D94.5Very high95.9Very high99 Ų9935.8 Ų35.853%0.52918%0.183SC..THydrogen-bonded Turntrans-74.6-48.1-17458.4-9.6000113.3K179 Q183K179-D181 VanDerWaalsContact C-N 3.33Å; K179-D181 WeakPolarHBondContact CD-OD1 2.92Å; K179-D181 WeakPolarHBondContact CE-OD1 3.14Å; K179-D181 WeakPolarHBondContact CE-OD2 3.21Å; K179-D181 WeakPolarHBondContact CG-OD1 3.41Å; K179-D181 IonicContact NZ-OD1 3.07Å; K179-D181 PolarHBondContact NZ-OD1 3.45Å; K179-D181 IonicContact NZ-OD2 2.75Å; K179-D181 PolarHBondContact NZ-OD2 2.87Å; K179-D181 PolarHBondContact O-N 3.39Å; D181-Q183 PolarHBondContact O-NE2 2.75Å; D181-Q183 PolarHBondContact O-OE1 2.99Å
182S95.3Very high95.6Very high43 Ų4337.1 Ų37.130%0.30119%0.186SC..THydrogen-bonded Turntrans-100.8-15.4-171.144.70000113.3D184S182-D184 PolarHBondContact O-N 2.89Å; S182-D184 VanDerWaalsContact O-N 3.11Å
183Q94.9Very high95.4Very high41 Ų4135.7 Ų35.719%0.19218%0.183CC..  trans58.516-172-58.47927.600113.5M134 V143 L145 K179 T180 D181M134-Q183 VanDerWaalsContact CE-NE2 3.28Å; V143-Q183 HydrophobicContact CG1-CG 3.93Å; L145-Q183 HydrophobicContact CD2-CG 3.81Å; K179-Q183 WeakPolarHBondContact O-CA 3.3Å; K179-Q183 PolarHBondContact O-N 3.21Å; T180-Q183 PolarHBondContact O-NE2 2.88Å; D181-Q183 PolarHBondContact O-NE2 2.75Å; D181-Q183 PolarHBondContact O-OE1 2.99Å
184D96Very high94.8Very high99 Ų9939.1 Ų39.153%0.52922%0.219SC..  trans-69.2135.7176.9-74.3-30.1000110.5L178 K179 S182 V186L178-D184 CarbonylContact C-O 3.58Å; L178-D184 WeakPolarHBondContact CA-O 3.28Å; K179-D184 PolarHBondContact N-O 2.83Å; S182-D184 PolarHBondContact O-N 2.89Å; S182-D184 VanDerWaalsContact O-N 3.11Å; D184-V186 PolarHBondContact O-N 2.91Å
185L96.8Very high94.1Very high49 Ų4942.2 Ų42.226%0.25724%0.239SC..EExtended strand (participates in β ladder)trans-68115.7173.9-177.367.5000110L176 L178 A187 R235L176-L185 HydrophobicContact CB-CD1 3.77Å; L176-L185 HydrophobicContact CD2-CD1 3.95Å; L176-L185 HydrophobicContact CG-CD1 4.3Å; L178-L185 HydrophobicContact CD2-CB 4.2Å; L178-L185 HydrophobicContact CD2-CD1 3.81Å; L185-A187 VanDerWaalsContact CD1-O 3.29Å; L185-A187 WeakPolarHBondContact CD1-O 3.31Å; L185-R235 HydrophobicContact CD2-CG 4.47Å; L185-R235 HydrophobicContact CG-CG 4.44Å; L185-R235 PolarHBondContact O-NE 2.81Å; L185-R235 PolarHBondContact O-NH2 3.26Å
186V96.9Very high93.4Very high48 Ų4848.3 Ų48.329%0.29128%0.282SS..EExtended strand (participates in β ladder)trans-100.5-36178.8-64.20000112.6Y165 V177 K179 D184 L231Y165-V186 HydrophobicContact CD1-CG2 3.72Å; Y165-V186 HydrophobicContact CE1-CG1 4.31Å; Y165-V186 HydrophobicContact CE1-CG2 3.76Å; V177-V186 HydrophobicContact CB-CG2 3.96Å; V177-V186 HydrophobicContact CG1-CG2 3.64Å; V177-V186 WeakPolarHBondContact O-CG2 3.42Å; V177-V186 PolarHBondContact O-N 2.84Å; K179-V186 HydrophobicContact CB-CG1 4.1Å; D184-V186 PolarHBondContact O-N 2.91Å; V186-L231 HydrophobicContact CG2-CD2 3.83Å
187A97.4Very high93.1Very high0 Ų053.1 Ų53.10%031%0.308CS..EExtended strand (participates in β ladder)trans-146.5156176.600000110.5V177 L185 I230 G234V177-A187 HydrophobicContact CB-CB 3.98Å; V177-A187 HydrophobicContact CG2-CB 4.02Å; V177-A187 PolarHBondContact N-O 2.97Å; V177-A187 PolarHBondContact O-N 3.23Å; L185-A187 VanDerWaalsContact CD1-O 3.29Å; L185-A187 WeakPolarHBondContact CD1-O 3.31Å; A187-I230 HydrophobicContact CB-CG2 4.17Å; A187-G234 VanDerWaalsContact CA-O 3.29Å; A187-G234 WeakPolarHBondContact CA-O 3.45Å; A187-G234 WeakPolarHBondContact CB-O 3.33Å
188S97.1Very high92.8Very high1 Ų156.8 Ų56.81%0.00733%0.33CS..EExtended strand (participates in β ladder)trans-154.7147.2175.556.60000109.9I175 G234 D236 G237I175-S188 VanDerWaalsContact O-CA 3.29Å; I175-S188 WeakPolarHBondContact O-CA 3.41Å; S188-G234 PolarHBondContact N-O 2.68Å; S188-G234 VanDerWaalsContact N-O 3.08Å; S188-D236 CarbonylContact O-C 3.28Å; S188-D236 WeakPolarHBondContact O-CA 3.5Å; S188-D236 PolarHBondContact O-N 2.82Å; S188-D236 PolarHBondContact OG-N 2.91Å; S188-D236 PolarHBondContact OG-OD1 2.86Å; S188-G237 PolarHBondContact O-N 2.89Å
189F95.9Very high92.6Very high3 Ų357 Ų571%0.01333%0.332CS..EExtended strand (participates in β ladder)trans-155.4166.3173.767.4-80.8000110.3I175 V191 I215 Y225 I230 G237 P239I175-F189 HydrophobicContact CB-CD1 3.9Å; I175-F189 HydrophobicContact CB-CE1 3.56Å; I175-F189 HydrophobicContact CB-CE2 4.3Å; I175-F189 HydrophobicContact CB-CG 4.41Å; I175-F189 HydrophobicContact CB-CZ 3.79Å; I175-F189 HydrophobicContact CG1-CE1 4.04Å; I175-F189 HydrophobicContact CG1-CE2 4Å; I175-F189 HydrophobicContact CG1-CZ 3.7Å; I175-F189 HydrophobicContact CG2-CD1 4.15Å; I175-F189 HydrophobicContact CG2-CE1 3.5Å; I175-F189 VanDerWaalsContact CG2-CE1 3.5Å; I175-F189 HydrophobicContact CG2-CZ 3.95Å; I175-F189 PolarHBondContact N-O 3Å; I175-F189 PolarHBondContact O-N 2.77Å; F189-V191 HydrophobicContact CD2-CG2 4.49Å; F189-V191 HydrophobicContact CE2-CG2 3.88Å; F189-I215 HydrophobicContact CZ-CD1 4.11Å; F189-Y225 HydrophobicContact CE2-CE1 4.18Å; F189-Y225 HydrophobicContact CE2-CE2 4.32Å; F189-Y225 AromaticContact CE2-CZ 3.85Å; F189-Y225 HydrophobicContact CZ-CE2 4.39Å; F189-I230 HydrophobicContact CD1-CD1 4.4Å; F189-I230 HydrophobicContact CD1-CG2 3.89Å; F189-I230 HydrophobicContact CE1-CD1 3.88Å; F189-I230 HydrophobicContact CE1-CG1 4.32Å; F189-I230 HydrophobicContact CE1-CG2 3.75Å; F189-I230 HydrophobicContact CZ-CD1 4.09Å; F189-G237 WeakPolarHBondContact CB-O 3.46Å; F189-P239 VanDerWaalsContact CB-CD 3.49Å; F189-P239 HydrophobicContact CB-CG 3.85Å; F189-P239 HydrophobicContact CD1-CG 3.91Å; F189-P239 HydrophobicContact CD2-CG 3.57Å; F189-P239 HydrophobicContact CE1-CG 4.31Å; F189-P239 HydrophobicContact CE2-CG 3.99Å; F189-P239 HydrophobicContact CG-CG 3.51Å; F189-P239 HydrophobicContact CZ-CG 4.34Å
190R95Very high92.5Very high147 Ų14755.1 Ų55.156%0.55533%0.329SS*.EExtended strand (participates in β ladder)trans-114.2126.9172.8-174.5176.4-70.2156.61.2109.4G173 T192G173-R190 WeakPolarHBondContact O-CA 3.4Å; R190-T192 PolarHBondContact O-N 2.9Å
191V94.5Very high92.5Very high2 Ų255.2 Ų55.21%0.01233%0.329CS..  trans-64.7120.2177.5176.20000109.9G173 I175 F189 T199 I201 I215G173-V191 PolarHBondContact O-N 2.94Å; I175-V191 HydrophobicContact CG1-CG2 3.94Å; F189-V191 HydrophobicContact CD2-CG2 4.49Å; F189-V191 HydrophobicContact CE2-CG2 3.88Å; V191-T199 HydrophobicContact CB-CG2 4.45Å; V191-T199 HydrophobicContact CG1-CG2 3.93Å; V191-I201 HydrophobicContact CB-CD1 4.38Å; V191-I201 HydrophobicContact CG2-CD1 3.92Å; V191-I215 HydrophobicContact CG2-CD1 4.12Å
192T88.1Confident92.6Very high73 Ų7354.9 Ų54.945%0.44832%0.323SS..  trans-81.3140176.9-179.20000112.3R190 G194 R223R190-T192 PolarHBondContact O-N 2.9Å; T192-G194 PolarHBondContact OG1-N 2.91Å; T192-G194 VanDerWaalsContact OG1-N 3.11Å; T192-R223 PolarHBondContact O-NE 2.87Å; T192-R223 PolarHBondContact O-NH2 2.91Å
193T86.6Confident92.7Very high38 Ų3853.7 Ų53.723%0.23332%0.315CS..  trans-92.83.5171.557.90000112.7T195 N197 T199T193-T195 PolarHBondContact O-N 3.27Å; T193-T195 PolarHBondContact OG1-N 2.79Å; T193-T195 PolarHBondContact OG1-O 3.08Å; T193-T195 PolarHBondContact OG1-OG1 2.8Å; T193-N197 VanDerWaalsContact CG2-O 3.24Å; T193-N197 WeakPolarHBondContact CG2-O 3.21Å; T193-N197 PolarHBondContact OG1-O 2.83Å; T193-T199 HydrophobicContact CG2-CG2 3.8Å
194G81.2Confident92.8Very high72 Ų7251.9 Ų51.974%0.74231%0.306SS*.SBendtrans79.2-9.7-165.600000113.3T192T192-G194 PolarHBondContact OG1-N 2.91Å; T192-G194 VanDerWaalsContact OG1-N 3.11Å
195T82.2Confident92.9Very high81 Ų8148.5 Ų48.550%0.49729%0.287SS..SBendtrans-119.7174.3167.967.40000108.9T193 N197T193-T195 PolarHBondContact O-N 3.27Å; T193-T195 PolarHBondContact OG1-N 2.79Å; T193-T195 PolarHBondContact OG1-O 3.08Å; T193-T195 PolarHBondContact OG1-OG1 2.8Å; T195-N197 PolarHBondContact O-N 2.69Å; T195-N197 VanDerWaalsContact O-N 3.08Å; T195-N197 WeakPolarHBondContact OG1-CB 3.17Å; T195-N197 PolarHBondContact OG1-N 3.35Å; T195-N197 PolarHBondContact OG1-ND2 3.09Å
196S82Confident93Very high128 Ų12847.7 Ų47.790%0.89528%0.282SS*.SBendtrans-691.9173.259.30000114.1
197N89.7Confident92.9Very high111 Ų11145.5 Ų45.559%0.59427%0.269SS*.  trans-79.7145.4179.6-68.1-40.4000112.3T193 T195T193-N197 VanDerWaalsContact CG2-O 3.24Å; T193-N197 WeakPolarHBondContact CG2-O 3.21Å; T193-N197 PolarHBondContact OG1-O 2.83Å; T195-N197 PolarHBondContact O-N 2.69Å; T195-N197 VanDerWaalsContact O-N 3.08Å; T195-N197 WeakPolarHBondContact OG1-CB 3.17Å; T195-N197 PolarHBondContact OG1-N 3.35Å; T195-N197 PolarHBondContact OG1-ND2 3.09Å
198T92Very high92.6Very high76 Ų7650.8 Ų50.847%0.46629%0.289SS..  trans-83.1150.8173.156.40000111.8K172K172-T198 HydrophobicContact CB-CG2 4.46Å; K172-T198 WeakPolarHBondContact O-CB 3.29Å; K172-T198 WeakPolarHBondContact O-CG2 3.4Å
199T94.9Very high92.2Very high7 Ų756.2 Ų56.24%0.04331%0.312CS..  trans-124.7134.7171.5-176.10000110G173 V191 T193 T217 A218 D219G173-T199 WeakPolarHBondContact CA-O 3.5Å; G173-T199 PolarHBondContact N-O 2.85Å; G173-T199 VanDerWaalsContact N-O 3.13Å; V191-T199 HydrophobicContact CB-CG2 4.45Å; V191-T199 HydrophobicContact CG1-CG2 3.93Å; T193-T199 HydrophobicContact CG2-CG2 3.8Å; T199-T217 HydrophobicContact CG2-CG2 4.07Å; T199-A218 PolarHBondContact OG1-N 3.16Å; T199-D219 VanDerWaalsContact OG1-CG 3.31Å; T199-D219 PolarHBondContact OG1-N 3.03Å; T199-D219 VanDerWaalsContact OG1-N 3.11Å; T199-D219 PolarHBondContact OG1-OD1 3.11Å
200A95.2Very high91.9Very high32 Ų3257.7 Ų57.726%0.26433%0.328SS..  trans-70.7133.5-178.800000111.1A171 T217 A218A171-A200 HydrophobicContact CB-CB 4.36Å; A171-A200 VanDerWaalsContact O-CA 3.23Å; A171-A200 WeakPolarHBondContact O-CA 3.23Å; A171-A200 VanDerWaalsContact O-CB 3.3Å; A171-A200 WeakPolarHBondContact O-CB 3.34Å; A200-T217 CarbonylContact O-C 3.58Å; A200-T217 VanDerWaalsContact O-CA 3.28Å; A200-T217 WeakPolarHBondContact O-CA 2.91Å; A200-A218 HydrophobicContact CB-CB 3.98Å; A200-A218 PolarHBondContact O-N 3.46Å
201I96.8Very high91.8Very high10 Ų1052.1 Ų52.15%0.05131%0.312CS..EExtended strand (participates in β ladder)trans-77.9122.5175-49.7-52.6000109V156 N170 I175 V191 I204 I215 T217V156-I201 HydrophobicContact CG2-CB 4.31Å; V156-I201 HydrophobicContact CG2-CG2 3.72Å; N170-I201 WeakPolarHBondContact O-CG1 3.29Å; N170-I201 PolarHBondContact O-N 2.79Å; N170-I201 VanDerWaalsContact O-N 3.14Å; I175-I201 HydrophobicContact CD1-CD1 3.97Å; I175-I201 HydrophobicContact CD1-CG1 3.76Å; I175-I201 HydrophobicContact CD1-CG2 4.28Å; V191-I201 HydrophobicContact CB-CD1 4.38Å; V191-I201 HydrophobicContact CG2-CD1 3.92Å; I201-I204 HydrophobicContact CG2-CD1 4.4Å; I201-I204 HydrophobicContact CG2-CG1 3.97Å; I201-I215 HydrophobicContact CD1-CG2 3.84Å; I201-I215 HydrophobicContact CG2-CG2 3.71Å; I201-T217 HydrophobicContact CD1-CG2 3.69Å
202K95.8Very high91.9Very high91 Ų9152.6 Ų52.640%0.39632%0.316SS..EExtended strand (participates in β ladder)trans-95.1-39.7-179.2-63.4-178.965.2-174.50112.6N216 W254K202-N216 WeakPolarHBondContact CA-O 3.35Å; K202-N216 HydrophobicContact CB-CB 4.43Å; K202-N216 WeakPolarHBondContact CB-O 3.42Å; K202-N216 PolarHBondContact N-O 2.65Å; K202-W254 PolarHBondContact NZ-O 2.85Å
203S97.3Very high92.4Very high18 Ų1849.1 Ų49.113%0.12629%0.294CS..EExtended strand (participates in β ladder)trans-160.3150.4177.161.80000110.9N216S203-N216 PolarHBondContact N-O 3.43Å; S203-N216 PolarHBondContact O-N 2.9Å; S203-N216 WeakPolarHBondContact OG-CB 3.44Å
204I98.2Very high93Very high3 Ų347.3 Ų47.32%0.01528%0.283CS..EExtended strand (participates in β ladder)trans-119.8128.1171.8-55.9172.1000106V156 I175 I201 F206 F213V156-I204 HydrophobicContact CG2-CD1 4.35Å; V156-I204 HydrophobicContact CG2-CG1 4.25Å; I175-I204 HydrophobicContact CD1-CD1 4.15Å; I201-I204 HydrophobicContact CG2-CD1 4.4Å; I201-I204 HydrophobicContact CG2-CG1 3.97Å; I204-F206 HydrophobicContact CG2-CD2 4.36Å; I204-F206 HydrophobicContact CG2-CE2 3.84Å; I204-F213 HydrophobicContact CG2-CD2 4.07Å
205E98Very high93.8Very high28 Ų2843.9 Ų43.913%0.13125%0.248CC..EExtended strand (participates in β ladder)trans-135.2135.4-179.5-56.1-67172.200109.2K112 F213 L214 K256 F259K112-E205 IonicContact NZ-OE1 3.97Å; K112-E205 PolarHBondContact NZ-OE1 2.95Å; K112-E205 VanDerWaalsContact NZ-OE1 3.17Å; K112-E205 IonicContact NZ-OE2 3.84Å; K112-E205 PolarHBondContact NZ-OE2 2.96Å; K112-E205 VanDerWaalsContact NZ-OE2 3.15Å; E205-F213 CarbonylContact O-C 3.48Å; E205-F213 WeakPolarHBondContact O-CA 3.47Å; E205-F213 WeakPolarHBondContact O-CB 3.33Å; E205-L214 HydrophobicContact CB-CD1 3.95Å; E205-L214 HydrophobicContact CB-CG 4.15Å; E205-L214 HydrophobicContact CG-CD1 4.25Å; E205-L214 PolarHBondContact N-O 2.8Å; E205-L214 PolarHBondContact O-N 2.9Å; E205-K256 IonicContact OE1-NZ 3.48Å; E205-K256 PolarHBondContact OE1-NZ 2.67Å; E205-K256 IonicContact OE2-NZ 3.4Å; E205-F259 WeakPolarHBondContact O-CE2 3.19Å
206F97.4Very high94.5Very high33 Ų3340.1 Ų40.115%0.14522%0.224CC..EExtended strand (participates in β ladder)trans-102.1147.9-179.8-81.3-98.7000110.9F159 D160 Y167 I204 F213F159-F206 WeakPolarHBondContact O-CD2 3.34Å; D160-F206 HydrophobicContact CB-CD1 4Å; D160-F206 HydrophobicContact CB-CE1 3.63Å; D160-F206 HydrophobicContact CB-CE2 4.48Å; D160-F206 HydrophobicContact CB-CZ 3.92Å; Y167-F206 AromaticContact CD1-CZ 3.97Å; Y167-F206 HydrophobicContact CD1-CZ 3.97Å; Y167-F206 HydrophobicContact CD2-CE1 4.38Å; Y167-F206 HydrophobicContact CD2-CE2 4.02Å; Y167-F206 AromaticContact CD2-CZ 3.41Å; Y167-F206 HydrophobicContact CD2-CZ 3.41Å; Y167-F206 VanDerWaalsContact CD2-CZ 3.41Å; Y167-F206 HydrophobicContact CE1-CZ 4.13Å; Y167-F206 HydrophobicContact CE2-CE1 4.18Å; Y167-F206 AromaticContact CE2-CZ 3.61Å; Y167-F206 HydrophobicContact CE2-CZ 3.61Å; Y167-F206 HydrophobicContact CG-CE2 4.03Å; Y167-F206 AromaticContact CG-CZ 3.61Å; Y167-F206 HydrophobicContact CG-CZ 3.61Å; Y167-F206 AromaticContact CZ-CZ 3.98Å; I204-F206 HydrophobicContact CG2-CD2 4.36Å; I204-F206 HydrophobicContact CG2-CE2 3.84Å; F206-F213 HydrophobicContact CB-CB 4.48Å; F206-F213 HydrophobicContact CD1-CB 3.51Å; F206-F213 HydrophobicContact CD1-CG 4.34Å; F206-F213 HydrophobicContact CD2-CB 4.07Å; F206-F213 HydrophobicContact CE1-CB 3.52Å; F206-F213 AromaticContact CE1-CD1 3.97Å; F206-F213 HydrophobicContact CE1-CD1 3.97Å; F206-F213 AromaticContact CE1-CG 3.84Å; F206-F213 HydrophobicContact CE1-CG 3.84Å; F206-F213 HydrophobicContact CE2-CB 4.07Å; F206-F213 HydrophobicContact CE2-CG 4.39Å; F206-F213 HydrophobicContact CG-CB 3.78Å; F206-F213 HydrophobicContact CZ-CB 3.78Å; F206-F213 HydrophobicContact CZ-CD1 4.21Å; F206-F213 HydrophobicContact CZ-CD2 4.26Å; F206-F213 AromaticContact CZ-CG 3.84Å; F206-F213 HydrophobicContact CZ-CG 3.84Å
207A95.4Very high95.3Very high2 Ų234 Ų342%0.01718%0.182CC..  trans-67.8144.4168.500000110.3K209 C212 F259A207-K209 VanDerWaalsContact CB-O 3.26Å; A207-K209 WeakPolarHBondContact CB-O 3.2Å; A207-K209 PolarHBondContact O-N 2.85Å; A207-C212 WeakPolarHBondContact CB-O 3.38Å; A207-C212 PolarHBondContact N-O 3.02Å; A207-F259 HydrophobicContact CB-CB 4.3Å; A207-F259 HydrophobicContact CB-CD1 4.13Å; A207-F259 HydrophobicContact CB-CD2 3.97Å; A207-F259 HydrophobicContact CB-CE1 4.43Å; A207-F259 HydrophobicContact CB-CE2 4.28Å; A207-F259 HydrophobicContact CB-CG 3.88Å
208R90.8Very high95.5Very high110 Ų11031.4 Ų31.442%0.41518%0.175SC..SBendtrans-72.9-20176-62.2-170.1-170.8-144.87.4112.3R161R161-R208 WeakPolarHBondContact CD-O 3.49Å
209K89.4Confident95.7Very high115 Ų11529.5 Ų29.550%0.516%0.162SC..SBendtrans-124.6143.3176.7-163.7178.7-177.1174.60109.6A207 D262A207-K209 VanDerWaalsContact CB-O 3.26Å; A207-K209 WeakPolarHBondContact CB-O 3.2Å; A207-K209 PolarHBondContact O-N 2.85Å; K209-D262 WeakPolarHBondContact CB-O 3.37Å
210G89Confident95.8Very high34 Ų3434.5 Ų34.535%0.35118%0.181SC..SBendtrans77.5-156.1-17800000114.2R161R161-G210 WeakPolarHBondContact CD-O 3.19Å; R161-G210 PolarHBondContact NE-O 2.75Å
211S93.8Very high95.8Very high30 Ų3034.1 Ų34.121%0.2117%0.174CC..SBendtrans-123.65.4-17751.90000113.7D226 G227 R228S211-D226 VanDerWaalsContact CB-OD1 3.24Å; S211-D226 WeakPolarHBondContact CB-OD1 3.26Å; S211-D226 VanDerWaalsContact OG-CG 3.26Å; S211-D226 PolarHBondContact OG-OD1 3.18Å; S211-D226 PolarHBondContact OG-OD2 3.01Å; S211-G227 PolarHBondContact O-N 3.03Å; S211-R228 PolarHBondContact OG-NE 3.48Å; S211-R228 VanDerWaalsContact OG-NE 3.13Å
212C96.9Very high95.9Very high13 Ų1333.6 Ų33.69%0.08817%0.171CC..EExtended strand (participates in β ladder)trans-72.5146.5179.9-60.40000111.6A207 Y225 F259 K281A207-C212 WeakPolarHBondContact CB-O 3.38Å; A207-C212 PolarHBondContact N-O 3.02Å; C212-Y225 CarbonylContact C-O 3.51Å; C212-Y225 VanDerWaalsContact CA-O 3.28Å; C212-Y225 WeakPolarHBondContact CA-O 3.25Å; C212-F259 HydrophobicContact CB-CE1 4.5Å; C212-F259 HydrophobicContact CB-CZ 4.43Å; C212-K281 HydrophobicContact CB-CD 4.26Å
213F98.1Very high96Very high0 Ų029.5 Ų29.50%015%0.153CC..EExtended strand (participates in β ladder)trans-142.6157.1171.572.7-80.3000110.2Y167 I204 E205 F206 I215 V224 Y225 I230Y167-F213 HydrophobicContact CD1-CE2 4.12Å; Y167-F213 HydrophobicContact CD1-CZ 4.1Å; Y167-F213 AromaticContact CE1-CE1 3.9Å; Y167-F213 HydrophobicContact CE1-CE1 3.9Å; Y167-F213 HydrophobicContact CE1-CE2 4.22Å; Y167-F213 AromaticContact CE1-CZ 3.74Å; Y167-F213 HydrophobicContact CE1-CZ 3.74Å; I204-F213 HydrophobicContact CG2-CD2 4.07Å; E205-F213 CarbonylContact O-C 3.48Å; E205-F213 WeakPolarHBondContact O-CA 3.47Å; E205-F213 WeakPolarHBondContact O-CB 3.33Å; F206-F213 HydrophobicContact CB-CB 4.48Å; F206-F213 HydrophobicContact CD1-CB 3.51Å; F206-F213 HydrophobicContact CD1-CG 4.34Å; F206-F213 HydrophobicContact CD2-CB 4.07Å; F206-F213 HydrophobicContact CE1-CB 3.52Å; F206-F213 AromaticContact CE1-CD1 3.97Å; F206-F213 HydrophobicContact CE1-CD1 3.97Å; F206-F213 AromaticContact CE1-CG 3.84Å; F206-F213 HydrophobicContact CE1-CG 3.84Å; F206-F213 HydrophobicContact CE2-CB 4.07Å; F206-F213 HydrophobicContact CE2-CG 4.39Å; F206-F213 HydrophobicContact CG-CB 3.78Å; F206-F213 HydrophobicContact CZ-CB 3.78Å; F206-F213 HydrophobicContact CZ-CD1 4.21Å; F206-F213 HydrophobicContact CZ-CD2 4.26Å; F206-F213 AromaticContact CZ-CG 3.84Å; F206-F213 HydrophobicContact CZ-CG 3.84Å; F213-I215 HydrophobicContact CD2-CG1 4.08Å; F213-I215 HydrophobicContact CE2-CD1 3.83Å; F213-I215 HydrophobicContact CE2-CG1 3.75Å; F213-V224 WeakPolarHBondContact O-CA 3.5Å; F213-Y225 VanDerWaalsContact CE1-CB 3.45Å; F213-Y225 HydrophobicContact CE1-CG 4.4Å; F213-Y225 HydrophobicContact CE2-CD2 4.14Å; F213-Y225 HydrophobicContact CZ-CD2 4.03Å; F213-Y225 HydrophobicContact CZ-CG 4.05Å; F213-Y225 PolarHBondContact N-O 2.63Å; F213-Y225 PolarHBondContact O-N 3.13Å; F213-I230 HydrophobicContact CE1-CD1 4.49Å; F213-I230 HydrophobicContact CE1-CG1 3.69Å; F213-I230 HydrophobicContact CZ-CD1 4.31Å; F213-I230 HydrophobicContact CZ-CG1 3.81Å
214L98.3Very high96Very high0 Ų028.6 Ų28.60%015%0.147CC..EExtended strand (participates in β ladder)trans-119150.5178.366.681.2000110.9E205 I222 R223 V224 C257 F259 I266E205-L214 HydrophobicContact CB-CD1 3.95Å; E205-L214 HydrophobicContact CB-CG 4.15Å; E205-L214 HydrophobicContact CG-CD1 4.25Å; E205-L214 PolarHBondContact N-O 2.8Å; E205-L214 PolarHBondContact O-N 2.9Å; L214-I222 HydrophobicContact CB-CG2 3.99Å; L214-I222 HydrophobicContact CD1-CG2 4.31Å; L214-R223 CarbonylContact C-O 3.59Å; L214-R223 VanDerWaalsContact CA-O 3.31Å; L214-R223 WeakPolarHBondContact CA-O 3.44Å; L214-V224 HydrophobicContact CB-CG2 4.38Å; L214-C257 HydrophobicContact CD1-CB 3.8Å; L214-C257 HydrophobicContact CD2-CB 4.35Å; L214-F259 HydrophobicContact CB-CE2 3.84Å; L214-F259 HydrophobicContact CB-CZ 3.78Å; L214-F259 HydrophobicContact CD2-CD2 3.8Å; L214-F259 HydrophobicContact CD2-CE1 4.34Å; L214-F259 HydrophobicContact CD2-CE2 3.5Å; L214-F259 HydrophobicContact CD2-CG 4.34Å; L214-F259 HydrophobicContact CD2-CZ 3.8Å; L214-F259 HydrophobicContact CG-CD2 4.2Å; L214-F259 HydrophobicContact CG-CE2 3.53Å; L214-F259 HydrophobicContact CG-CZ 3.96Å; L214-I266 HydrophobicContact CD2-CD1 4.43Å; L214-I266 HydrophobicContact CD2-CG1 4.22Å; L214-I266 HydrophobicContact CD2-CG2 3.7Å
215I98.3Very high96Very high0 Ų028.6 Ų28.60%015%0.147CC..EExtended strand (participates in β ladder)trans-121.8120.2175.7-50.1-174.7000108.2I175 F189 V191 I201 F213 T217 I222 R223 Y225I175-I215 HydrophobicContact CD1-CD1 3.94Å; I175-I215 HydrophobicContact CG1-CD1 3.97Å; F189-I215 HydrophobicContact CZ-CD1 4.11Å; V191-I215 HydrophobicContact CG2-CD1 4.12Å; I201-I215 HydrophobicContact CD1-CG2 3.84Å; I201-I215 HydrophobicContact CG2-CG2 3.71Å; F213-I215 HydrophobicContact CD2-CG1 4.08Å; F213-I215 HydrophobicContact CE2-CD1 3.83Å; F213-I215 HydrophobicContact CE2-CG1 3.75Å; I215-T217 HydrophobicContact CG2-CG2 3.65Å; I215-I222 WeakPolarHBondContact O-CA 3.44Å; I215-R223 PolarHBondContact N-O 3.17Å; I215-R223 PolarHBondContact O-N 3.15Å; I215-Y225 HydrophobicContact CD1-CD2 3.98Å; I215-Y225 HydrophobicContact CD1-CE2 3.61Å; I215-Y225 HydrophobicContact CG1-CD2 4.2Å; I215-Y225 HydrophobicContact CG1-CE2 4.11Å
216N97.9Very high96Very high1 Ų127.8 Ų27.81%0.00514%0.144CC..EExtended strand (participates in β ladder)trans-91.6129.9169.4-178.312.9000109.1K202 S203 W254K202-N216 WeakPolarHBondContact CA-O 3.35Å; K202-N216 HydrophobicContact CB-CB 4.43Å; K202-N216 WeakPolarHBondContact CB-O 3.42Å; K202-N216 PolarHBondContact N-O 2.65Å; S203-N216 PolarHBondContact N-O 3.43Å; S203-N216 PolarHBondContact O-N 2.9Å; S203-N216 WeakPolarHBondContact OG-CB 3.44Å; N216-W254 PolarHBondContact ND2-O 3.36Å; N216-W254 VanDerWaalsContact ND2-O 3.1Å
217T97.2Very high95.8Very high1 Ų126.5 Ų26.51%0.00614%0.14CC..EExtended strand (participates in β ladder)trans-131.6162.3-172.255.20000112.6T199 A200 I201 I215 D219 R220 I221 R223T199-T217 HydrophobicContact CG2-CG2 4.07Å; A200-T217 CarbonylContact O-C 3.58Å; A200-T217 VanDerWaalsContact O-CA 3.28Å; A200-T217 WeakPolarHBondContact O-CA 2.91Å; I201-T217 HydrophobicContact CD1-CG2 3.69Å; I215-T217 HydrophobicContact CG2-CG2 3.65Å; T217-D219 VanDerWaalsContact C-N 3.29Å; T217-D219 WeakPolarHBondContact CB-OD1 3.27Å; T217-D219 PolarHBondContact O-N 3.4Å; T217-D219 PolarHBondContact OG1-OD1 3.35Å; T217-R220 PolarHBondContact O-N 3.22Å; T217-R220 VanDerWaalsContact O-N 3.13Å; T217-I221 PolarHBondContact OG1-O 3.17Å; T217-R223 PolarHBondContact OG1-NH1 2.75Å
218A96Very high95.8Very high55 Ų5534.2 Ų34.246%0.45517%0.168SC..THydrogen-bonded Turntrans-67.3-23.6-174.200000114.9T199 A200 R220T199-A218 PolarHBondContact OG1-N 3.16Å; A200-A218 HydrophobicContact CB-CB 3.98Å; A200-A218 PolarHBondContact O-N 3.46Å; A218-R220 PolarHBondContact O-N 3.34Å
219D95Very high96.1Very high36 Ų3633.2 Ų33.219%0.19317%0.168CC..THydrogen-bonded Turntrans-74.73.7172.964.6-32.8000113.8T199 T217 I221 R223T199-D219 VanDerWaalsContact OG1-CG 3.31Å; T199-D219 PolarHBondContact OG1-N 3.03Å; T199-D219 VanDerWaalsContact OG1-N 3.11Å; T199-D219 PolarHBondContact OG1-OD1 3.11Å; T217-D219 VanDerWaalsContact C-N 3.29Å; T217-D219 WeakPolarHBondContact CB-OD1 3.27Å; T217-D219 PolarHBondContact O-N 3.4Å; T217-D219 PolarHBondContact OG1-OD1 3.35Å; D219-I221 VanDerWaalsContact C-N 3.29Å; D219-I221 PolarHBondContact O-N 3.44Å; D219-R223 IonicContact OD1-NH1 2.68Å; D219-R223 PolarHBondContact OD1-NH1 3.44Å; D219-R223 IonicContact OD2-CZ 3.15Å; D219-R223 IonicContact OD2-NH1 3.61Å; D219-R223 PolarHBondContact OD2-NH1 3.41Å; D219-R223 VanDerWaalsContact OD2-NH1 3.11Å; D219-R223 IonicContact OD2-NH2 2.86Å; D219-R223 PolarHBondContact OD2-NH2 2.96Å
220R96.3Very high96.4Very high113 Ų11327.8 Ų27.843%0.42615%0.145SC..SBendtrans71.320.4171.7-41.3177.1-164.6167.64.3114.1T217 A218 R251 P253 W254T217-R220 PolarHBondContact O-N 3.22Å; T217-R220 VanDerWaalsContact O-N 3.13Å; A218-R220 PolarHBondContact O-N 3.34Å; R220-R251 WeakPolarHBondContact CD-O 3.44Å; R220-R251 PolarHBondContact NH1-O 3.41Å; R220-P253 HydrophobicContact CG-CB 4.22Å; R220-W254 PolarHBondContact O-NE1 2.96Å
221I97.1Very high96.7Very high23 Ų2328.9 Ų28.912%0.11814%0.142CC..  trans-113.4119.3178.1-56.5175.7000108.3T217 D219 R223 K244 L245 Q246T217-I221 PolarHBondContact OG1-O 3.17Å; D219-I221 VanDerWaalsContact C-N 3.29Å; D219-I221 PolarHBondContact O-N 3.44Å; I221-R223 HydrophobicContact CG2-CG 4.32Å; I221-R223 PolarHBondContact O-NH1 3Å; I221-K244 HydrophobicContact CG2-CB 4.12Å; I221-L245 CarbonylContact C-O 3.47Å; I221-Q246 HydrophobicContact CG1-CB 4.12Å
222I98.1Very high96.8Very high0 Ų033.4 Ų33.40%017%0.169CC..EExtended strand (participates in β ladder)trans-80.8129.8172-58.6160.2000107.5L214 I215 K244 L245 W254 C257 A268 W279L214-I222 HydrophobicContact CB-CG2 3.99Å; L214-I222 HydrophobicContact CD1-CG2 4.31Å; I215-I222 WeakPolarHBondContact O-CA 3.44Å; I222-K244 CarbonylContact O-C 3.58Å; I222-K244 WeakPolarHBondContact O-CA 3.14Å; I222-L245 HydrophobicContact CB-CB 4.19Å; I222-L245 PolarHBondContact N-O 3.49Å; I222-L245 PolarHBondContact O-N 2.71Å; I222-W254 HydrophobicContact CD1-CD2 4.15Å; I222-W254 HydrophobicContact CD1-CG 3.93Å; I222-W254 HydrophobicContact CG1-CG 4.13Å; I222-C257 HydrophobicContact CD1-CB 4.49Å; I222-C257 VanDerWaalsContact CD1-SG 3.55Å; I222-A268 HydrophobicContact CD1-CB 3.5Å; I222-W279 HydrophobicContact CD1-CZ3 4.49Å
223R97.8Very high96.7Very high4 Ų435.6 Ų35.62%0.01518%0.184CC..EExtended strand (participates in β ladder)trans-114.3124.9178.9-65.5170.7176.474.3-4.7109.3T192 L214 I215 T217 D219 I221 Y225 P241 Q243T192-R223 PolarHBondContact O-NE 2.87Å; T192-R223 PolarHBondContact O-NH2 2.91Å; L214-R223 CarbonylContact C-O 3.59Å; L214-R223 VanDerWaalsContact CA-O 3.31Å; L214-R223 WeakPolarHBondContact CA-O 3.44Å; I215-R223 PolarHBondContact N-O 3.17Å; I215-R223 PolarHBondContact O-N 3.15Å; T217-R223 PolarHBondContact OG1-NH1 2.75Å; D219-R223 IonicContact OD1-NH1 2.68Å; D219-R223 PolarHBondContact OD1-NH1 3.44Å; D219-R223 IonicContact OD2-CZ 3.15Å; D219-R223 IonicContact OD2-NH1 3.61Å; D219-R223 PolarHBondContact OD2-NH1 3.41Å; D219-R223 VanDerWaalsContact OD2-NH1 3.11Å; D219-R223 IonicContact OD2-NH2 2.86Å; D219-R223 PolarHBondContact OD2-NH2 2.96Å; I221-R223 HydrophobicContact CG2-CG 4.32Å; I221-R223 PolarHBondContact O-NH1 3Å; R223-Y225 HydrophobicContact CB-CD2 4.33Å; R223-Y225 HydrophobicContact CB-CE2 3.56Å; R223-P241 HydrophobicContact CB-CB 4.23Å; R223-P241 HydrophobicContact CB-CG 4.32Å; R223-P241 HydrophobicContact CG-CG 4.31Å; R223-Q243 WeakPolarHBondContact CA-O 3.25Å
224V98Very high96.6Very high0 Ų036.5 Ų36.50%019%0.192CC..EExtended strand (participates in β ladder)trans-103.3132.9178.8-171.70000108.4F213 L214 P241 M242 Q243 L245 F259 I266 K281F213-V224 WeakPolarHBondContact O-CA 3.5Å; L214-V224 HydrophobicContact CB-CG2 4.38Å; V224-P241 CarbonylContact O-C 3.58Å; V224-P241 VanDerWaalsContact O-CA 3.32Å; V224-P241 WeakPolarHBondContact O-CA 3.4Å; V224-P241 WeakPolarHBondContact O-CB 3.37Å; V224-M242 PolarHBondContact O-N 3.24Å; V224-Q243 HydrophobicContact CB-CB 4.06Å; V224-Q243 HydrophobicContact CG2-CB 4.13Å; V224-Q243 PolarHBondContact N-O 2.88Å; V224-Q243 PolarHBondContact O-N 3.45Å; V224-L245 HydrophobicContact CG2-CD1 4.38Å; V224-F259 HydrophobicContact CG1-CE1 4.41Å; V224-F259 HydrophobicContact CG1-CZ 4.29Å; V224-I266 HydrophobicContact CG1-CD1 4.45Å; V224-I266 HydrophobicContact CG2-CD1 3.42Å; V224-I266 VanDerWaalsContact CG2-CD1 3.42Å; V224-K281 HydrophobicContact CG1-CG 4.28Å
225Y97.7Very high96.4Very high2 Ų244.1 Ų44.11%0.00822%0.221CC..EExtended strand (participates in β ladder)trans-132.7157.1179-63-91.1000110F189 C212 F213 I215 R223 I230 P239 P241F189-Y225 HydrophobicContact CE2-CE1 4.18Å; F189-Y225 HydrophobicContact CE2-CE2 4.32Å; F189-Y225 AromaticContact CE2-CZ 3.85Å; F189-Y225 HydrophobicContact CZ-CE2 4.39Å; C212-Y225 CarbonylContact C-O 3.51Å; C212-Y225 VanDerWaalsContact CA-O 3.28Å; C212-Y225 WeakPolarHBondContact CA-O 3.25Å; F213-Y225 VanDerWaalsContact CE1-CB 3.45Å; F213-Y225 HydrophobicContact CE1-CG 4.4Å; F213-Y225 HydrophobicContact CE2-CD2 4.14Å; F213-Y225 HydrophobicContact CZ-CD2 4.03Å; F213-Y225 HydrophobicContact CZ-CG 4.05Å; F213-Y225 PolarHBondContact N-O 2.63Å; F213-Y225 PolarHBondContact O-N 3.13Å; I215-Y225 HydrophobicContact CD1-CD2 3.98Å; I215-Y225 HydrophobicContact CD1-CE2 3.61Å; I215-Y225 HydrophobicContact CG1-CD2 4.2Å; I215-Y225 HydrophobicContact CG1-CE2 4.11Å; R223-Y225 HydrophobicContact CB-CD2 4.33Å; R223-Y225 HydrophobicContact CB-CE2 3.56Å; Y225-I230 HydrophobicContact CD1-CD1 3.84Å; Y225-I230 HydrophobicContact CG-CD1 4.16Å; Y225-P239 HydrophobicContact CD1-CB 4.45Å; Y225-P239 HydrophobicContact CE1-CB 4.44Å; Y225-P239 HydrophobicContact CE1-CG 4.42Å; Y225-P241 HydrophobicContact CD1-CB 4.27Å; Y225-P241 HydrophobicContact CE1-CB 3.89Å; Y225-P241 HydrophobicContact CE1-CG 3.68Å; Y225-P241 HydrophobicContact CE2-CB 4.46Å; Y225-P241 HydrophobicContact CE2-CG 4.46Å
226D96.7Very high96.2Very high12 Ų1249.4 Ų49.46%0.06425%0.249CC..EExtended strand (participates in β ladder)trans-90.7123.1163.1-171.9-21.6000109.3S211 R228 E229 I230 M242S211-D226 VanDerWaalsContact CB-OD1 3.24Å; S211-D226 WeakPolarHBondContact CB-OD1 3.26Å; S211-D226 VanDerWaalsContact OG-CG 3.26Å; S211-D226 PolarHBondContact OG-OD1 3.18Å; S211-D226 PolarHBondContact OG-OD2 3.01Å; D226-R228 PolarHBondContact O-N 3.18Å; D226-R228 VanDerWaalsContact O-N 3.11Å; D226-R228 WeakPolarHBondContact OD1-CB 3.06Å; D226-R228 PolarHBondContact OD1-N 2.97Å; D226-R228 IonicContact OD1-NE 2.74Å; D226-R228 PolarHBondContact OD1-NE 3.35Å; D226-R228 IonicContact OD2-CZ 3.9Å; D226-R228 IonicContact OD2-NE 3.08Å; D226-R228 PolarHBondContact OD2-NE 2.95Å; D226-R228 VanDerWaalsContact OD2-NE 3.07Å; D226-R228 IonicContact OD2-NH2 2.82Å; D226-R228 PolarHBondContact OD2-NH2 2.74Å; D226-E229 HydrophobicContact CB-CB 4.4Å; D226-E229 HydrophobicContact CB-CG 4Å; D226-E229 WeakPolarHBondContact O-CB 3.23Å; D226-E229 PolarHBondContact O-N 3.31Å; D226-I230 PolarHBondContact O-N 3.38Å; D226-M242 HydrophobicContact CB-SD 3.73Å
227G95.1Very high95.9Very high6 Ų650 Ų506%0.06226%0.257CS..Hα-helixtrans-55.4-28.917700000113.8S211 I230 L231S211-G227 PolarHBondContact O-N 3.03Å; G227-I230 PolarHBondContact O-N 3.37Å; G227-L231 WeakPolarHBondContact O-CG 3.34Å; G227-L231 PolarHBondContact O-N 3.42Å; G227-L231 VanDerWaalsContact O-N 3.09Å
228R95.3Very high95.7Very high164 Ų16458.9 Ų58.962%0.61930%0.298SS*.Hα-helixtrans-68.4-37.8177-63.1177.5-65.8-177.4-0112.3S211 D226 I230 L231 T232S211-R228 PolarHBondContact OG-NE 3.48Å; S211-R228 VanDerWaalsContact OG-NE 3.13Å; D226-R228 PolarHBondContact O-N 3.18Å; D226-R228 VanDerWaalsContact O-N 3.11Å; D226-R228 WeakPolarHBondContact OD1-CB 3.06Å; D226-R228 PolarHBondContact OD1-N 2.97Å; D226-R228 IonicContact OD1-NE 2.74Å; D226-R228 PolarHBondContact OD1-NE 3.35Å; D226-R228 IonicContact OD2-CZ 3.9Å; D226-R228 IonicContact OD2-NE 3.08Å; D226-R228 PolarHBondContact OD2-NE 2.95Å; D226-R228 VanDerWaalsContact OD2-NE 3.07Å; D226-R228 IonicContact OD2-NH2 2.82Å; D226-R228 PolarHBondContact OD2-NH2 2.74Å; R228-I230 VanDerWaalsContact C-N 3.34Å; R228-L231 PolarHBondContact O-N 3.32Å; R228-T232 WeakPolarHBondContact O-CB 3.38Å; R228-T232 PolarHBondContact O-N 2.83Å; R228-T232 PolarHBondContact O-OG1 2.93Å
229E95.3Very high95.7Very high88 Ų8857 Ų5741%0.41128%0.281SS..Hα-helixtrans-66.2-39.9176.3-68174.9168.400110.6D226 T232 C233D226-E229 HydrophobicContact CB-CB 4.4Å; D226-E229 HydrophobicContact CB-CG 4Å; D226-E229 WeakPolarHBondContact O-CB 3.23Å; D226-E229 PolarHBondContact O-N 3.31Å; E229-T232 PolarHBondContact O-N 3.07Å; E229-C233 PolarHBondContact O-N 3.13Å; E229-C233 PolarHBondContact O-SG 3.32Å
230I96.7Very high95.6Very high1 Ų163.3 Ų63.31%0.00531%0.309CS..Hα-helixtrans-62.1-47.4176.1-51.5-54.7000111.3Y167 V177 A187 F189 F213 Y225 D226 G227 R228 T232 C233 G234 P239Y167-I230 HydrophobicContact CE1-CG2 4.38Å; V177-I230 HydrophobicContact CG2-CG2 3.82Å; A187-I230 HydrophobicContact CB-CG2 4.17Å; F189-I230 HydrophobicContact CD1-CD1 4.4Å; F189-I230 HydrophobicContact CD1-CG2 3.89Å; F189-I230 HydrophobicContact CE1-CD1 3.88Å; F189-I230 HydrophobicContact CE1-CG1 4.32Å; F189-I230 HydrophobicContact CE1-CG2 3.75Å; F189-I230 HydrophobicContact CZ-CD1 4.09Å; F213-I230 HydrophobicContact CE1-CD1 4.49Å; F213-I230 HydrophobicContact CE1-CG1 3.69Å; F213-I230 HydrophobicContact CZ-CD1 4.31Å; F213-I230 HydrophobicContact CZ-CG1 3.81Å; Y225-I230 HydrophobicContact CD1-CD1 3.84Å; Y225-I230 HydrophobicContact CG-CD1 4.16Å; D226-I230 PolarHBondContact O-N 3.38Å; G227-I230 PolarHBondContact O-N 3.37Å; R228-I230 VanDerWaalsContact C-N 3.34Å; I230-T232 VanDerWaalsContact C-N 3.26Å; I230-T232 PolarHBondContact O-N 2.91Å; I230-C233 PolarHBondContact O-N 3.05Å; I230-G234 PolarHBondContact O-N 3.39Å; I230-P239 HydrophobicContact CD1-CB 3.42Å; I230-P239 VanDerWaalsContact CD1-CB 3.42Å; I230-P239 HydrophobicContact CD1-CG 3.48Å; I230-P239 VanDerWaalsContact CD1-CG 3.48Å
231L95.8Very high95.6Very high58 Ų5858.9 Ų58.930%0.30430%0.295SS..Hα-helixtrans-62.5-35.5177.8-68.6173.3000111.8Y165 V177 V186 G227 R228 G234Y165-L231 HydrophobicContact CD1-CD2 4.34Å; Y165-L231 HydrophobicContact CD2-CD1 4.19Å; Y165-L231 HydrophobicContact CE1-CD2 4.07Å; Y165-L231 HydrophobicContact CE2-CD1 3.62Å; Y165-L231 HydrophobicContact CE2-CD2 4.25Å; V177-L231 HydrophobicContact CG1-CD2 4.01Å; V186-L231 HydrophobicContact CG2-CD2 3.83Å; G227-L231 WeakPolarHBondContact O-CG 3.34Å; G227-L231 PolarHBondContact O-N 3.42Å; G227-L231 VanDerWaalsContact O-N 3.09Å; R228-L231 PolarHBondContact O-N 3.32Å; L231-G234 PolarHBondContact O-N 3.07Å
232T95.9Very high95.5Very high125 Ų12562.2 Ų62.277%0.76731%0.312SS*.Hα-helixtrans-71.4-36.5176.7-54.70000112.1R228 E229 I230 G234R228-T232 WeakPolarHBondContact O-CB 3.38Å; R228-T232 PolarHBondContact O-N 2.83Å; R228-T232 PolarHBondContact O-OG1 2.93Å; E229-T232 PolarHBondContact O-N 3.07Å; I230-T232 VanDerWaalsContact C-N 3.26Å; I230-T232 PolarHBondContact O-N 2.91Å; T232-G234 VanDerWaalsContact C-N 3.25Å; T232-G234 PolarHBondContact O-N 3.15Å
233C94.6Very high95.4Very high59 Ų5964.4 Ų64.440%0.39932%0.322SS..Hα-helixtrans-64.9-29.2174.9-70.90000112.7E229 I230E229-C233 PolarHBondContact O-N 3.13Å; E229-C233 PolarHBondContact O-SG 3.32Å; I230-C233 PolarHBondContact O-N 3.05Å
234G95.1Very high95.3Very high18 Ų1869.5 Ų69.519%0.18634%0.344CS..  trans73.6-153.7176.400000114.1A187 S188 I230 L231 T232A187-G234 VanDerWaalsContact CA-O 3.29Å; A187-G234 WeakPolarHBondContact CA-O 3.45Å; A187-G234 WeakPolarHBondContact CB-O 3.33Å; S188-G234 PolarHBondContact N-O 2.68Å; S188-G234 VanDerWaalsContact N-O 3.08Å; I230-G234 PolarHBondContact O-N 3.39Å; L231-G234 PolarHBondContact O-N 3.07Å; T232-G234 VanDerWaalsContact C-N 3.25Å; T232-G234 PolarHBondContact O-N 3.15Å
235R94.8Very high95.3Very high161 Ų16169.6 Ų69.661%0.60834%0.344SS*.THydrogen-bonded Turntrans-78.9133.8-176.9-63-178.7-177.9175.51110.9L185 G237L185-R235 HydrophobicContact CD2-CG 4.47Å; L185-R235 HydrophobicContact CG-CG 4.44Å; L185-R235 PolarHBondContact O-NE 2.81Å; L185-R235 PolarHBondContact O-NH2 3.26Å; R235-G237 PolarHBondContact O-N 2.84Å
236D93.5Very high95.2Very high110 Ų11072 Ų7259%0.58836%0.356SS*.THydrogen-bonded Turntrans55.135.6-178-59.6-50.3000113.9K174 S188K174-D236 IonicContact NZ-OD1 3.81Å; K174-D236 PolarHBondContact NZ-OD1 2.79Å; S188-D236 CarbonylContact O-C 3.28Å; S188-D236 WeakPolarHBondContact O-CA 3.5Å; S188-D236 PolarHBondContact O-N 2.82Å; S188-D236 PolarHBondContact OG-N 2.91Å; S188-D236 PolarHBondContact OG-OD1 2.86Å
237G92.5Very high95.2Very high15 Ų1572 Ų7216%0.15536%0.356CS..BIsolated β-bridgetrans-76.5170.5175.700000113.4S188 F189 R235 P239S188-G237 PolarHBondContact O-N 2.89Å; F189-G237 WeakPolarHBondContact CB-O 3.46Å; R235-G237 PolarHBondContact O-N 2.84Å; G237-P239 WeakPolarHBondContact O-CD 3.38Å
238E93.4Very high95.1Very high187 Ų18777.8 Ų77.887%0.87439%0.385SS*.  trans-121.765.4177.8-62-174.3152.400110.5
239P94.5Very high95Very high16 Ų1675.9 Ų75.910%0.10439%0.391CS..PPolyproline II helixtrans-67.1135.8-179.928.4-33.4000110.8F189 Y225 I230 G237F189-P239 VanDerWaalsContact CB-CD 3.49Å; F189-P239 HydrophobicContact CB-CG 3.85Å; F189-P239 HydrophobicContact CD1-CG 3.91Å; F189-P239 HydrophobicContact CD2-CG 3.57Å; F189-P239 HydrophobicContact CE1-CG 4.31Å; F189-P239 HydrophobicContact CE2-CG 3.99Å; F189-P239 HydrophobicContact CG-CG 3.51Å; F189-P239 HydrophobicContact CZ-CG 4.34Å; Y225-P239 HydrophobicContact CD1-CB 4.45Å; Y225-P239 HydrophobicContact CE1-CB 4.44Å; Y225-P239 HydrophobicContact CE1-CG 4.42Å; I230-P239 HydrophobicContact CD1-CB 3.42Å; I230-P239 VanDerWaalsContact CD1-CB 3.42Å; I230-P239 HydrophobicContact CD1-CG 3.48Å; I230-P239 VanDerWaalsContact CD1-CG 3.48Å; G237-P239 WeakPolarHBondContact O-CD 3.38Å
240E93.7Very high94.9Very high167 Ų16775.9 Ų75.978%0.7839%0.394SS*.PPolyproline II helixtrans-83.2137.6172.2-63.7-161.3146.100110.4M242E240-M242 PolarHBondContact O-N 2.94Å
241P95.6Very high94.8Very high21 Ų2181.4 Ų81.414%0.13641%0.414CS..PPolyproline II helixtrans-65.9132.8172.8-14.927.5000110.3R223 V224 Y225 Q243 K244R223-P241 HydrophobicContact CB-CB 4.23Å; R223-P241 HydrophobicContact CB-CG 4.32Å; R223-P241 HydrophobicContact CG-CG 4.31Å; V224-P241 CarbonylContact O-C 3.58Å; V224-P241 VanDerWaalsContact O-CA 3.32Å; V224-P241 WeakPolarHBondContact O-CA 3.4Å; V224-P241 WeakPolarHBondContact O-CB 3.37Å; Y225-P241 HydrophobicContact CD1-CB 4.27Å; Y225-P241 HydrophobicContact CE1-CB 3.89Å; Y225-P241 HydrophobicContact CE1-CG 3.68Å; Y225-P241 HydrophobicContact CE2-CB 4.46Å; Y225-P241 HydrophobicContact CE2-CG 4.46Å; P241-Q243 PolarHBondContact O-N 3.47Å; P241-K244 HydrophobicContact CB-CG 4.13Å; P241-K244 HydrophobicContact CG-CG 4.19Å
242M95Very high94.7Very high93 Ų9378.8 Ų78.846%0.45840%0.401SS..SBendtrans-53.6-39.8167.4-64.2-179.576.300111.2V224 D226 E240V224-M242 PolarHBondContact O-N 3.24Å; D226-M242 HydrophobicContact CB-SD 3.73Å; E240-M242 PolarHBondContact O-N 2.94Å
243Q95.7Very high94.7Very high45 Ų4575.6 Ų75.621%0.2138%0.383CS..EExtended strand (participates in β ladder)trans-146.6147.7179-168.252.6-86.200112.7R223 V224 P241 L245 I283R223-Q243 WeakPolarHBondContact CA-O 3.25Å; V224-Q243 HydrophobicContact CB-CB 4.06Å; V224-Q243 HydrophobicContact CG2-CB 4.13Å; V224-Q243 PolarHBondContact N-O 2.88Å; V224-Q243 PolarHBondContact O-N 3.45Å; P241-Q243 PolarHBondContact O-N 3.47Å; Q243-L245 HydrophobicContact CG-CD2 3.43Å; Q243-L245 VanDerWaalsContact CG-CD2 3.43Å; Q243-L245 HydrophobicContact CG-CG 3.96Å; Q243-I283 PolarHBondContact NE2-O 2.88Å; Q243-I283 VanDerWaalsContact NE2-O 3.09Å
244K96.7Very high94.9Very high111 Ų11172.9 Ų72.948%0.48336%0.364SS..EExtended strand (participates in β ladder)trans-123104.9174.2-66.4175.3-176.5166.30109.7I221 I222 P241I221-K244 HydrophobicContact CG2-CB 4.12Å; I222-K244 CarbonylContact O-C 3.58Å; I222-K244 WeakPolarHBondContact O-CA 3.14Å; P241-K244 HydrophobicContact CB-CG 4.13Å; P241-K244 HydrophobicContact CG-CG 4.19Å
245L97.3Very high94.9Very high2 Ų276.8 Ų76.81%0.0138%0.376CS..EExtended strand (participates in β ladder)trans-101130.2-177.8-50173.3000110.6I221 I222 V224 Q243 I266 W279I221-L245 CarbonylContact C-O 3.47Å; I222-L245 HydrophobicContact CB-CB 4.19Å; I222-L245 PolarHBondContact N-O 3.49Å; I222-L245 PolarHBondContact O-N 2.71Å; V224-L245 HydrophobicContact CG2-CD1 4.38Å; Q243-L245 HydrophobicContact CG-CD2 3.43Å; Q243-L245 VanDerWaalsContact CG-CD2 3.43Å; Q243-L245 HydrophobicContact CG-CG 3.96Å; L245-I266 HydrophobicContact CD1-CB 4.14Å; L245-I266 HydrophobicContact CD1-CD1 3.73Å; L245-I266 HydrophobicContact CD1-CG2 4.12Å; L245-W279 HydrophobicContact CB-CD2 4.28Å; L245-W279 HydrophobicContact CB-CG 4.48Å; L245-W279 HydrophobicContact CD1-CB 3.89Å; L245-W279 HydrophobicContact CD1-CD2 4.14Å; L245-W279 HydrophobicContact CD1-CE3 4.27Å; L245-W279 HydrophobicContact CD1-CG 4.01Å; L245-W279 HydrophobicContact CD2-CB 3.96Å; L245-W279 HydrophobicContact CD2-CD2 4.45Å; L245-W279 HydrophobicContact CD2-CG 3.82Å; L245-W279 HydrophobicContact CG-CG 4.33Å
246Q96.5Very high95.1Very high53 Ų5371.4 Ų71.425%0.24836%0.357CS..  trans-155.9158175.965-178-38.500111.1I221 L248I221-Q246 HydrophobicContact CG1-CB 4.12Å; Q246-L248 HydrophobicContact CG-CD2 3.8Å; Q246-L248 HydrophobicContact CG-CG 4.09Å; Q246-L248 PolarHBondContact O-N 2.82Å
247D95.8Very high95.3Very high12 Ų1266.1 Ų66.16%0.06433%0.329CS..  trans-83.9100.4166.5174.83.4000108.7V249 N250 R251 T252 W254 Y277D247-V249 PolarHBondContact O-N 3.08Å; D247-V249 WeakPolarHBondContact OD1-CA 3.35Å; D247-V249 PolarHBondContact OD1-N 2.63Å; D247-N250 PolarHBondContact OD1-N 2.87Å; D247-N250 WeakPolarHBondContact OD2-CB 3.3Å; D247-N250 PolarHBondContact OD2-N 2.92Å; D247-N250 PolarHBondContact OD2-ND2 3.14Å; D247-N250 VanDerWaalsContact OD2-ND2 3.13Å; D247-R251 WeakPolarHBondContact O-CA 3.4Å; D247-R251 PolarHBondContact O-N 3.37Å; D247-T252 VanDerWaalsContact OD2-CB 3.32Å; D247-T252 WeakPolarHBondContact OD2-CB 3.49Å; D247-T252 PolarHBondContact OD2-OG1 3.08Å; D247-W254 HydrophobicContact CB-CH2 3.99Å; D247-W254 HydrophobicContact CB-CZ2 3.98Å; D247-Y277 HydrophobicContact CB-CE1 4.38Å; D247-Y277 PolarHBondContact OD2-OH 2.68Å
248L93.6Very high95.5Very high128 Ų12866.3 Ų66.367%0.6733%0.327SS*.THydrogen-bonded Turntrans-67.5-23.1178.6-70.4173.4000112.9Q246Q246-L248 HydrophobicContact CG-CD2 3.8Å; Q246-L248 HydrophobicContact CG-CG 4.09Å; Q246-L248 PolarHBondContact O-N 2.82Å
249V94.2Very high95.7Very high124 Ų12458 Ų5875%0.75229%0.288SS*.THydrogen-bonded Turntrans-86.7-60.3-174.2-1780000110.7D247D247-V249 PolarHBondContact O-N 3.08Å; D247-V249 WeakPolarHBondContact OD1-CA 3.35Å; D247-V249 PolarHBondContact OD1-N 2.63Å
250N92.8Very high95.8Very high88 Ų8857.4 Ų57.447%0.47129%0.285SS..THydrogen-bonded Turntrans-96.9-5.2-175.9-45-75.3000113.9D247 T252 Q273D247-N250 PolarHBondContact OD1-N 2.87Å; D247-N250 WeakPolarHBondContact OD2-CB 3.3Å; D247-N250 PolarHBondContact OD2-N 2.92Å; D247-N250 PolarHBondContact OD2-ND2 3.14Å; D247-N250 VanDerWaalsContact OD2-ND2 3.13Å; N250-T252 VanDerWaalsContact C-N 3.28Å; N250-T252 PolarHBondContact O-N 2.79Å; N250-Q273 VanDerWaalsContact CG-NE2 3.31Å; N250-Q273 PolarHBondContact ND2-NE2 3.34Å
251R93.6Very high95.7Very high116 Ų11650.1 Ų50.144%0.43825%0.254SS..  trans53.348.9-176.1-56.3-70.9-67.3179.25.5110.5R220 D247R220-R251 WeakPolarHBondContact CD-O 3.44Å; R220-R251 PolarHBondContact NH1-O 3.41Å; D247-R251 WeakPolarHBondContact O-CA 3.4Å; D247-R251 PolarHBondContact O-N 3.37Å
252T94.6Very high95.4Very high4 Ų451.8 Ų51.83%0.02526%0.262CS..PPolyproline II helixtrans-71.9131.5-170.6-67.80000112.8D247 N250 W254 S270 Q273D247-T252 VanDerWaalsContact OD2-CB 3.32Å; D247-T252 WeakPolarHBondContact OD2-CB 3.49Å; D247-T252 PolarHBondContact OD2-OG1 3.08Å; N250-T252 VanDerWaalsContact C-N 3.28Å; N250-T252 PolarHBondContact O-N 2.79Å; T252-W254 HydrophobicContact CG2-CE3 4.38Å; T252-W254 HydrophobicContact CG2-CH2 4.23Å; T252-W254 HydrophobicContact CG2-CZ3 4Å; T252-S270 VanDerWaalsContact CG2-CB 3.42Å; T252-S270 WeakPolarHBondContact CG2-OG 3.08Å; T252-Q273 PolarHBondContact OG1-OE1 3.39Å
253P96.1Very high95.3Very high58 Ų5847.4 Ų47.438%0.37724%0.24SC..PPolyproline II helixtrans-79.7139.3172.632.2-33.7000111.9R220R220-P253 HydrophobicContact CG-CB 4.22Å
254W97.4Very high95.2Very high1 Ų148.8 Ų48.80%0.00425%0.246CC..EExtended strand (participates in β ladder)trans-92.4122.8-178-48.5113.3000112.2K202 N216 R220 I222 D247 T252 A268 Y277 W279K202-W254 PolarHBondContact NZ-O 2.85Å; N216-W254 PolarHBondContact ND2-O 3.36Å; N216-W254 VanDerWaalsContact ND2-O 3.1Å; R220-W254 PolarHBondContact O-NE1 2.96Å; I222-W254 HydrophobicContact CD1-CD2 4.15Å; I222-W254 HydrophobicContact CD1-CG 3.93Å; I222-W254 HydrophobicContact CG1-CG 4.13Å; D247-W254 HydrophobicContact CB-CH2 3.99Å; D247-W254 HydrophobicContact CB-CZ2 3.98Å; T252-W254 HydrophobicContact CG2-CE3 4.38Å; T252-W254 HydrophobicContact CG2-CH2 4.23Å; T252-W254 HydrophobicContact CG2-CZ3 4Å; W254-A268 HydrophobicContact CB-CB 4.46Å; W254-A268 HydrophobicContact CD2-CB 3.7Å; W254-A268 HydrophobicContact CE3-CB 3.36Å; W254-A268 HydrophobicContact CG-CB 4.17Å; W254-A268 HydrophobicContact CZ3-CB 3.89Å; W254-Y277 HydrophobicContact CH2-CD1 4.08Å; W254-Y277 HydrophobicContact CH2-CD2 4.05Å; W254-Y277 HydrophobicContact CH2-CE1 4.44Å; W254-Y277 HydrophobicContact CH2-CE2 4.41Å; W254-Y277 AromaticContact CH2-CG 3.88Å; W254-Y277 HydrophobicContact CH2-CG 3.88Å; W254-Y277 AromaticContact CZ3-CD2 3.76Å; W254-Y277 HydrophobicContact CZ3-CD2 3.76Å; W254-Y277 HydrophobicContact CZ3-CE2 4.28Å; W254-Y277 AromaticContact CZ3-CG 3.95Å; W254-Y277 HydrophobicContact CZ3-CG 3.95Å; W254-W279 AromaticContact CH2-CH2 3.44Å; W254-W279 HydrophobicContact CH2-CH2 3.44Å; W254-W279 VanDerWaalsContact CH2-CH2 3.44Å; W254-W279 HydrophobicContact CH2-CZ2 4.03Å; W254-W279 AromaticContact CZ2-CH2 3.66Å; W254-W279 HydrophobicContact CZ2-CH2 3.66Å; W254-W279 HydrophobicContact CZ2-CZ2 4.1Å; W254-W279 AromaticContact CZ3-CH2 3.95Å; W254-W279 HydrophobicContact CZ3-CH2 3.95Å
255K96.7Very high95.2Very high100 Ų10044.9 Ų44.944%0.43523%0.229SC..EExtended strand (participates in β ladder)trans-77.1-51.2177.717358-178.1173.40111.6G269 A271 L299K255-G269 PolarHBondContact N-O 3.14Å; K255-A271 HydrophobicContact CB-CB 3.85Å; K255-A271 HydrophobicContact CG-CB 4.24Å; K255-L299 WeakPolarHBondContact CE-O 3.08Å
256K97.3Very high95.3Very high48 Ų4844.8 Ų44.821%0.20923%0.229CC..EExtended strand (participates in β ladder)trans-143.1143.9178-179.566.3174.8-179.20108.6E205 G269 V301E205-K256 IonicContact OE1-NZ 3.48Å; E205-K256 PolarHBondContact OE1-NZ 2.67Å; E205-K256 IonicContact OE2-NZ 3.4Å; K256-G269 PolarHBondContact O-N 2.83Å; K256-V301 HydrophobicContact CB-CB 4.31Å; K256-V301 HydrophobicContact CB-CG2 4.42Å; K256-V301 HydrophobicContact CG-CB 4.15Å; K256-V301 WeakPolarHBondContact CG-O 3.45Å
257C97.8Very high95.3Very high0 Ų042.3 Ų42.30%022%0.217CC..EExtended strand (participates in β ladder)trans-131.5150175.3-52.80000108.4L214 I222 V267 A268L214-C257 HydrophobicContact CD1-CB 3.8Å; L214-C257 HydrophobicContact CD2-CB 4.35Å; I222-C257 HydrophobicContact CD1-CB 4.49Å; I222-C257 VanDerWaalsContact CD1-SG 3.55Å; C257-V267 CarbonylContact C-O 3.52Å; C257-V267 WeakPolarHBondContact CA-O 3.09Å; C257-A268 HydrophobicContact CB-CB 4.47Å
258C97.8Very high95.5Very high19 Ų1941.7 Ų41.713%0.12821%0.214CC..EExtended strand (participates in β ladder)trans-156.5160.8170.3520000110.6V267C258-V267 PolarHBondContact N-O 3.47Å; C258-V267 PolarHBondContact O-N 2.97Å; C258-V267 WeakPolarHBondContact SG-CG1 3.26Å
259F97.6Very high95.6Very high13 Ų1335.6 Ų35.66%0.05718%0.182CC..EExtended strand (participates in β ladder)trans-81157.7170.6-69.8-87.5000110.6E205 A207 C212 L214 V224 Y265 I266 K281 W303E205-F259 WeakPolarHBondContact O-CE2 3.19Å; A207-F259 HydrophobicContact CB-CB 4.3Å; A207-F259 HydrophobicContact CB-CD1 4.13Å; A207-F259 HydrophobicContact CB-CD2 3.97Å; A207-F259 HydrophobicContact CB-CE1 4.43Å; A207-F259 HydrophobicContact CB-CE2 4.28Å; A207-F259 HydrophobicContact CB-CG 3.88Å; C212-F259 HydrophobicContact CB-CE1 4.5Å; C212-F259 HydrophobicContact CB-CZ 4.43Å; L214-F259 HydrophobicContact CB-CE2 3.84Å; L214-F259 HydrophobicContact CB-CZ 3.78Å; L214-F259 HydrophobicContact CD2-CD2 3.8Å; L214-F259 HydrophobicContact CD2-CE1 4.34Å; L214-F259 HydrophobicContact CD2-CE2 3.5Å; L214-F259 HydrophobicContact CD2-CG 4.34Å; L214-F259 HydrophobicContact CD2-CZ 3.8Å; L214-F259 HydrophobicContact CG-CD2 4.2Å; L214-F259 HydrophobicContact CG-CE2 3.53Å; L214-F259 HydrophobicContact CG-CZ 3.96Å; V224-F259 HydrophobicContact CG1-CE1 4.41Å; V224-F259 HydrophobicContact CG1-CZ 4.29Å; F259-Y265 CarbonylContact C-O 3.58Å; F259-Y265 WeakPolarHBondContact CA-O 3.3Å; F259-I266 HydrophobicContact CD1-CD1 4.17Å; F259-I266 HydrophobicContact CD1-CG1 3.54Å; F259-I266 HydrophobicContact CE1-CD1 3.66Å; F259-I266 HydrophobicContact CE1-CG1 3.58Å; F259-I266 HydrophobicContact CG-CG1 4.38Å; F259-I266 HydrophobicContact CZ-CD1 4.33Å; F259-I266 HydrophobicContact CZ-CG1 4.43Å; F259-K281 HydrophobicContact CE1-CD 4.42Å; F259-W303 WeakPolarHBondContact O-CB 3.26Å
260S95.6Very high95.7Very high3 Ų329.7 Ų29.72%0.02115%0.146CC..  trans-61.8165.9157.656.10000111.6D262 G263 E264 Y265 W303S260-D262 VanDerWaalsContact C-N 3.34Å; S260-D262 VanDerWaalsContact CB-OD1 3.25Å; S260-D262 WeakPolarHBondContact CB-OD1 3.46Å; S260-D262 PolarHBondContact O-N 2.91Å; S260-D262 PolarHBondContact OG-OD1 2.75Å; S260-G263 PolarHBondContact O-N 2.8Å; S260-G263 VanDerWaalsContact O-N 3.07Å; S260-G263 PolarHBondContact OG-N 3.4Å; S260-E264 PolarHBondContact OG-N 2.54Å; S260-Y265 PolarHBondContact N-O 2.83Å; S260-Y265 PolarHBondContact OG-N 3.49Å; S260-Y265 PolarHBondContact OG-O 3.08Å; S260-W303 VanDerWaalsContact CA-CD2 3.49Å
261G91.2Very high95.8Very high13 Ų1326.5 Ų26.513%0.13413%0.132CC..THydrogen-bonded Turntrans-54.5-45.7179.400000114.5G263 P305G261-G263 VanDerWaalsContact C-N 3.31Å; G261-P305 WeakPolarHBondContact CA-O 3.17Å
262D89.4Confident95.4Very high57 Ų5731.8 Ų31.831%0.30515%0.152SC..THydrogen-bonded Turntrans-76.6-14.9176.864.9-11.6000113.9K209 S260 E264K209-D262 WeakPolarHBondContact CB-O 3.37Å; S260-D262 VanDerWaalsContact C-N 3.34Å; S260-D262 VanDerWaalsContact CB-OD1 3.25Å; S260-D262 WeakPolarHBondContact CB-OD1 3.46Å; S260-D262 PolarHBondContact O-N 2.91Å; S260-D262 PolarHBondContact OG-OD1 2.75Å; D262-E264 PolarHBondContact OD1-N 2.73Å; D262-E264 VanDerWaalsContact OD1-N 3.12Å
263G93.2Very high95.2Very high0 Ų035 Ų350%017%0.167CC..SBendtrans78.613.1-178.400000115.1S260 G261 K281S260-G263 PolarHBondContact O-N 2.8Å; S260-G263 VanDerWaalsContact O-N 3.07Å; S260-G263 PolarHBondContact OG-N 3.4Å; G261-G263 VanDerWaalsContact C-N 3.31Å; G263-K281 VanDerWaalsContact O-CD 3.28Å; G263-K281 WeakPolarHBondContact O-CD 3.42Å; G263-K281 WeakPolarHBondContact O-CE 3.35Å; G263-K281 PolarHBondContact O-NZ 3.44Å
264E94.2Very high95.2Very high74 Ų7432.5 Ų32.535%0.34615%0.15SC..SBendtrans-92.4-20.8178.7-65.9-51.1133.700114.1S260 D262 K281S260-E264 PolarHBondContact OG-N 2.54Å; D262-E264 PolarHBondContact OD1-N 2.73Å; D262-E264 VanDerWaalsContact OD1-N 3.12Å; E264-K281 WeakPolarHBondContact O-CB 3.38Å; E264-K281 PolarHBondContact O-N 2.89Å; E264-K281 IonicContact OE1-NZ 2.71Å; E264-K281 PolarHBondContact OE1-NZ 3.15Å; E264-K281 VanDerWaalsContact OE2-CE 3.31Å; E264-K281 WeakPolarHBondContact OE2-CE 3.38Å; E264-K281 IonicContact OE2-NZ 3.38Å; E264-K281 PolarHBondContact OE2-NZ 2.91Å; E264-K281 VanDerWaalsContact OE2-NZ 3.14Å
265Y96.8Very high95.1Very high30 Ų3032.4 Ų32.412%0.11815%0.149CC..EExtended strand (participates in β ladder)trans-115.3153.1175.2-60.2-90.1000111.4N12 Y13 F259 S260 I278 W279 E280 V287 W303N12-Y265 HydrophobicContact CB-CE2 3.79Å; Y13-Y265 HydrophobicContact CD1-CD1 4.46Å; Y13-Y265 AromaticContact CD1-CE1 3.73Å; Y13-Y265 HydrophobicContact CD1-CE1 3.73Å; Y13-Y265 AromaticContact CD1-CZ 3.91Å; F259-Y265 CarbonylContact C-O 3.58Å; F259-Y265 WeakPolarHBondContact CA-O 3.3Å; S260-Y265 PolarHBondContact N-O 2.83Å; S260-Y265 PolarHBondContact OG-N 3.49Å; S260-Y265 PolarHBondContact OG-O 3.08Å; Y265-I278 HydrophobicContact CD1-CG2 4.12Å; Y265-W279 CarbonylContact C-O 3.4Å; Y265-W279 WeakPolarHBondContact CA-O 3.49Å; Y265-E280 HydrophobicContact CE1-CB 4.5Å; Y265-E280 HydrophobicContact CE1-CG 4.28Å; Y265-V287 HydrophobicContact CE1-CG2 4.3Å; Y265-W303 VanDerWaalsContact CB-CH2 3.46Å; Y265-W303 HydrophobicContact CG-CH2 4.14Å
266I98.2Very high95.2Very high0 Ų027.8 Ų27.80%013%0.129CC..EExtended strand (participates in β ladder)trans-126.1125.6174.9-65.6164000108.1L214 V224 L245 F259 I278 W279 K281L214-I266 HydrophobicContact CD2-CD1 4.43Å; L214-I266 HydrophobicContact CD2-CG1 4.22Å; L214-I266 HydrophobicContact CD2-CG2 3.7Å; V224-I266 HydrophobicContact CG1-CD1 4.45Å; V224-I266 HydrophobicContact CG2-CD1 3.42Å; V224-I266 VanDerWaalsContact CG2-CD1 3.42Å; L245-I266 HydrophobicContact CD1-CB 4.14Å; L245-I266 HydrophobicContact CD1-CD1 3.73Å; L245-I266 HydrophobicContact CD1-CG2 4.12Å; F259-I266 HydrophobicContact CD1-CD1 4.17Å; F259-I266 HydrophobicContact CD1-CG1 3.54Å; F259-I266 HydrophobicContact CE1-CD1 3.66Å; F259-I266 HydrophobicContact CE1-CG1 3.58Å; F259-I266 HydrophobicContact CG-CG1 4.38Å; F259-I266 HydrophobicContact CZ-CD1 4.33Å; F259-I266 HydrophobicContact CZ-CG1 4.43Å; I266-I278 WeakPolarHBondContact O-CA 3.49Å; I266-W279 PolarHBondContact N-O 3.04Å; I266-W279 PolarHBondContact O-N 3.11Å; I266-K281 HydrophobicContact CD1-CB 4.35Å; I266-K281 HydrophobicContact CD1-CG 4.46Å
267V98.2Very high95.2Very high0 Ų026 Ų260%012%0.121CC..EExtended strand (participates in β ladder)trans-100.8138.1169.366.10000110.6C257 C258 L276 Y277 I278 V301 W303 I310C257-V267 CarbonylContact C-O 3.52Å; C257-V267 WeakPolarHBondContact CA-O 3.09Å; C258-V267 PolarHBondContact N-O 3.47Å; C258-V267 PolarHBondContact O-N 2.97Å; C258-V267 WeakPolarHBondContact SG-CG1 3.26Å; V267-L276 HydrophobicContact CG2-CB 3.87Å; V267-Y277 CarbonylContact C-O 3.56Å; V267-Y277 VanDerWaalsContact CA-O 3.27Å; V267-Y277 WeakPolarHBondContact CA-O 3.2Å; V267-I278 HydrophobicContact CB-CG1 4.37Å; V267-I278 HydrophobicContact CG2-CG1 4.15Å; V267-V301 HydrophobicContact CG1-CG1 3.91Å; V267-V301 HydrophobicContact CG2-CG1 4.28Å; V267-W303 HydrophobicContact CB-CE3 3.86Å; V267-W303 HydrophobicContact CB-CZ3 3.87Å; V267-W303 HydrophobicContact CG1-CE3 3.69Å; V267-W303 HydrophobicContact CG1-CZ3 4.23Å; V267-I310 HydrophobicContact CB-CD1 4.04Å; V267-I310 HydrophobicContact CG1-CD1 4.22Å; V267-I310 HydrophobicContact CG2-CD1 3.95Å
268A98.2Very high95.2Very high0 Ų026 Ų260%012%0.121CC..EExtended strand (participates in β ladder)trans-128.1127.316800000111.9I222 W254 C257 Y277 W279I222-A268 HydrophobicContact CD1-CB 3.5Å; W254-A268 HydrophobicContact CB-CB 4.46Å; W254-A268 HydrophobicContact CD2-CB 3.7Å; W254-A268 HydrophobicContact CE3-CB 3.36Å; W254-A268 HydrophobicContact CG-CB 4.17Å; W254-A268 HydrophobicContact CZ3-CB 3.89Å; C257-A268 HydrophobicContact CB-CB 4.47Å; A268-Y277 PolarHBondContact N-O 2.93Å; A268-Y277 PolarHBondContact O-N 3.35Å; A268-W279 HydrophobicContact CB-CH2 4.03Å; A268-W279 HydrophobicContact CB-CZ3 3.55Å
269G97.5Very high95.2Very high0 Ų025.5 Ų25.50%012%0.117CC..EExtended strand (participates in β ladder)trans-88.6122.817900000113.1K255 K256K255-G269 PolarHBondContact N-O 3.14Å; K256-G269 PolarHBondContact O-N 2.83Å
270S96.2Very high95.2Very high0 Ų027.2 Ų27.20%013%0.125CC..EExtended strand (participates in β ladder)trans-89.8111.3169.2177.40000110.6T252 R272 Q273 H274 A275T252-S270 VanDerWaalsContact CG2-CB 3.42Å; T252-S270 WeakPolarHBondContact CG2-OG 3.08Å; S270-R272 PolarHBondContact O-N 3.49Å; S270-Q273 PolarHBondContact OG-N 3.39Å; S270-H274 WeakPolarHBondContact O-CA 3.34Å; S270-H274 PolarHBondContact O-N 3.06Å; S270-H274 VanDerWaalsContact O-N 3.08Å; S270-A275 WeakPolarHBondContact CB-O 3.18Å; S270-A275 PolarHBondContact N-O 2.95Å; S270-A275 PolarHBondContact O-N 3.24Å
271A94Very high95.1Very high21 Ų2128.6 Ų28.617%0.17413%0.13CC..THydrogen-bonded Turntrans-66.5-35.7176.900000113.8K255 L297 L298K255-A271 HydrophobicContact CB-CB 3.85Å; K255-A271 HydrophobicContact CG-CB 4.24Å; A271-L297 HydrophobicContact CB-CD1 3.9Å; A271-L298 HydrophobicContact CB-CB 4.45Å; A271-L298 WeakPolarHBondContact CB-O 3.12Å
272R85.3Confident95.3Very high227 Ų22731.3 Ų31.386%0.85715%0.147SC*.THydrogen-bonded Turntrans-77.9-36.7-173.8-174177.9-178.9-173.60.3112.8S270S270-R272 PolarHBondContact O-N 3.49Å
273Q91.2Very high95.5Very high72 Ų7233.7 Ų33.734%0.33616%0.159SC..THydrogen-bonded Turntrans-93.8-9.1-179-65.1174.7-25.200112.3N250 T252 S270 A275 Y277N250-Q273 VanDerWaalsContact CG-NE2 3.31Å; N250-Q273 PolarHBondContact ND2-NE2 3.34Å; T252-Q273 PolarHBondContact OG1-OE1 3.39Å; S270-Q273 PolarHBondContact OG-N 3.39Å; Q273-A275 HydrophobicContact CB-CB 4.24Å; Q273-Y277 PolarHBondContact OE1-OH 3.49Å
274H95Very high95.6Very high4 Ų434.6 Ų34.62%0.01917%0.168CC..THydrogen-bonded Turntrans48.958.9-167.9-166.2-165.2000111.4S270 G292 T293 E296 S314S270-H274 WeakPolarHBondContact O-CA 3.34Å; S270-H274 PolarHBondContact O-N 3.06Å; S270-H274 VanDerWaalsContact O-N 3.08Å; H274-G292 WeakPolarHBondContact O-CA 3.45Å; H274-G292 PolarHBondContact O-N 2.89Å; H274-T293 PolarHBondContact CE1-OG1 3.34Å; H274-T293 PolarHBondContact ND1-N 2.99Å; H274-T293 PolarHBondContact ND1-O 3.32Å; H274-T293 PolarHBondContact ND1-OG1 3.14Å; H274-E296 IonicContact CE1-OE2 3.9Å; H274-E296 PolarHBondContact CE1-OE2 3.47Å; H274-S314 VanDerWaalsContact CE1-CB 3.43Å; H274-S314 WeakPolarHBondContact CE1-CB 3.5Å; H274-S314 PolarHBondContact CE1-OG 2.94Å; H274-S314 VanDerWaalsContact CE1-OG 3.27Å; H274-S314 WeakPolarHBondContact NE2-CB 3.48Å; H274-S314 PolarHBondContact NE2-OG 2.91Å
275A96.3Very high95.7Very high0 Ų034.3 Ų34.30%017%0.169CC..EExtended strand (participates in β ladder)trans-137.7144.9-176.500000111.2S270 Q273 Y277 I289 L290S270-A275 WeakPolarHBondContact CB-O 3.18Å; S270-A275 PolarHBondContact N-O 2.95Å; S270-A275 PolarHBondContact O-N 3.24Å; Q273-A275 HydrophobicContact CB-CB 4.24Å; A275-Y277 HydrophobicContact CB-CD2 4.36Å; A275-Y277 HydrophobicContact CB-CE2 3.93Å; A275-I289 HydrophobicContact CB-CG2 4.05Å; A275-L290 CarbonylContact C-O 3.52Å; A275-L290 VanDerWaalsContact CA-O 3.24Å; A275-L290 WeakPolarHBondContact CA-O 3.44Å
276L97.5Very high95.7Very high2 Ų236.6 Ų36.61%0.0118%0.183CC..EExtended strand (participates in β ladder)trans-109.3119.3174.7-48.7179.5000108.5V267 I289 L290 L298 V301 I310 W321V267-L276 HydrophobicContact CG2-CB 3.87Å; L276-I289 CarbonylContact O-C 3.54Å; L276-I289 WeakPolarHBondContact O-CA 3.47Å; L276-L290 HydrophobicContact CB-CB 4.15Å; L276-L290 HydrophobicContact CD1-CD1 4.36Å; L276-L290 PolarHBondContact N-O 3.28Å; L276-L290 PolarHBondContact O-N 3.37Å; L276-L298 HydrophobicContact CD2-CD1 4.22Å; L276-L298 HydrophobicContact CD2-CD2 3.67Å; L276-V301 HydrophobicContact CD2-CG1 4.31Å; L276-V301 HydrophobicContact CD2-CG2 3.67Å; L276-I310 HydrophobicContact CD1-CG2 3.91Å; L276-W321 HydrophobicContact CD1-CD2 4.31Å; L276-W321 HydrophobicContact CD1-CG 4.26Å
277Y97.8Very high95.5Very high11 Ų1138.6 Ų38.64%0.04320%0.195CC..EExtended strand (participates in β ladder)trans-98.3132.3177.7-73-120.1000108.2D247 W254 V267 A268 Q273 A275 W279 L286 I289D247-Y277 HydrophobicContact CB-CE1 4.38Å; D247-Y277 PolarHBondContact OD2-OH 2.68Å; W254-Y277 HydrophobicContact CH2-CD1 4.08Å; W254-Y277 HydrophobicContact CH2-CD2 4.05Å; W254-Y277 HydrophobicContact CH2-CE1 4.44Å; W254-Y277 HydrophobicContact CH2-CE2 4.41Å; W254-Y277 AromaticContact CH2-CG 3.88Å; W254-Y277 HydrophobicContact CH2-CG 3.88Å; W254-Y277 AromaticContact CZ3-CD2 3.76Å; W254-Y277 HydrophobicContact CZ3-CD2 3.76Å; W254-Y277 HydrophobicContact CZ3-CE2 4.28Å; W254-Y277 AromaticContact CZ3-CG 3.95Å; W254-Y277 HydrophobicContact CZ3-CG 3.95Å; V267-Y277 CarbonylContact C-O 3.56Å; V267-Y277 VanDerWaalsContact CA-O 3.27Å; V267-Y277 WeakPolarHBondContact CA-O 3.2Å; A268-Y277 PolarHBondContact N-O 2.93Å; A268-Y277 PolarHBondContact O-N 3.35Å; Q273-Y277 PolarHBondContact OE1-OH 3.49Å; A275-Y277 HydrophobicContact CB-CD2 4.36Å; A275-Y277 HydrophobicContact CB-CE2 3.93Å; Y277-W279 HydrophobicContact CD1-CH2 4.06Å; Y277-W279 AromaticContact CD1-CZ2 3.96Å; Y277-W279 HydrophobicContact CD1-CZ2 3.96Å; Y277-W279 AromaticContact CG-CH2 3.87Å; Y277-W279 HydrophobicContact CG-CH2 3.87Å; Y277-W279 HydrophobicContact CG-CZ2 4.24Å; Y277-W279 HydrophobicContact CG-CZ3 4.49Å; Y277-W279 VanDerWaalsContact O-CZ3 3.26Å; Y277-W279 WeakPolarHBondContact O-CZ3 3.4Å; Y277-L286 HydrophobicContact CD1-CD1 3.78Å; Y277-L286 HydrophobicContact CD1-CD2 4.07Å; Y277-L286 HydrophobicContact CE1-CD2 4.41Å; Y277-L286 HydrophobicContact CG-CD1 4.32Å; Y277-I289 HydrophobicContact CD1-CD1 3.98Å; Y277-I289 HydrophobicContact CD1-CG1 3.9Å; Y277-I289 HydrophobicContact CD2-CG2 4.19Å; Y277-I289 HydrophobicContact CE1-CD1 3.56Å; Y277-I289 HydrophobicContact CE1-CG1 4.01Å; Y277-I289 HydrophobicContact CE2-CG2 4.08Å; Y277-I289 HydrophobicContact CG-CG1 4.25Å
278I97.9Very high95.4Very high0 Ų042.3 Ų42.30%021%0.211CC..EExtended strand (participates in β ladder)trans-118.8122.6-178.5-57.6175.8000108.6P14 Y265 I266 V267 L286 V287 K288 L290 W303 I310P14-I278 HydrophobicContact CG-CD1 3.99Å; Y265-I278 HydrophobicContact CD1-CG2 4.12Å; I266-I278 WeakPolarHBondContact O-CA 3.49Å; V267-I278 HydrophobicContact CB-CG1 4.37Å; V267-I278 HydrophobicContact CG2-CG1 4.15Å; I278-L286 WeakPolarHBondContact O-CD1 3.46Å; I278-V287 PolarHBondContact O-N 2.89Å; I278-K288 HydrophobicContact CB-CB 4.48Å; I278-K288 PolarHBondContact N-O 3.46Å; I278-K288 PolarHBondContact O-N 2.99Å; I278-L290 HydrophobicContact CD1-CD1 3.95Å; I278-L290 HydrophobicContact CD1-CG 4.3Å; I278-W303 HydrophobicContact CG2-CH2 4Å; I278-W303 HydrophobicContact CG2-CZ3 4.2Å; I278-I310 HydrophobicContact CD1-CD1 4.12Å
279W98.1Very high95.3Very high9 Ų944.7 Ų44.73%0.03422%0.223CC..EExtended strand (participates in β ladder)trans-115.2150.8174.1-62.6-99000110.9I222 L245 W254 Y265 I266 A268 Y277 N285 L286I222-W279 HydrophobicContact CD1-CZ3 4.49Å; L245-W279 HydrophobicContact CB-CD2 4.28Å; L245-W279 HydrophobicContact CB-CG 4.48Å; L245-W279 HydrophobicContact CD1-CB 3.89Å; L245-W279 HydrophobicContact CD1-CD2 4.14Å; L245-W279 HydrophobicContact CD1-CE3 4.27Å; L245-W279 HydrophobicContact CD1-CG 4.01Å; L245-W279 HydrophobicContact CD2-CB 3.96Å; L245-W279 HydrophobicContact CD2-CD2 4.45Å; L245-W279 HydrophobicContact CD2-CG 3.82Å; L245-W279 HydrophobicContact CG-CG 4.33Å; W254-W279 AromaticContact CH2-CH2 3.44Å; W254-W279 HydrophobicContact CH2-CH2 3.44Å; W254-W279 VanDerWaalsContact CH2-CH2 3.44Å; W254-W279 HydrophobicContact CH2-CZ2 4.03Å; W254-W279 AromaticContact CZ2-CH2 3.66Å; W254-W279 HydrophobicContact CZ2-CH2 3.66Å; W254-W279 HydrophobicContact CZ2-CZ2 4.1Å; W254-W279 AromaticContact CZ3-CH2 3.95Å; W254-W279 HydrophobicContact CZ3-CH2 3.95Å; Y265-W279 CarbonylContact C-O 3.4Å; Y265-W279 WeakPolarHBondContact CA-O 3.49Å; I266-W279 PolarHBondContact N-O 3.04Å; I266-W279 PolarHBondContact O-N 3.11Å; A268-W279 HydrophobicContact CB-CH2 4.03Å; A268-W279 HydrophobicContact CB-CZ3 3.55Å; Y277-W279 HydrophobicContact CD1-CH2 4.06Å; Y277-W279 AromaticContact CD1-CZ2 3.96Å; Y277-W279 HydrophobicContact CD1-CZ2 3.96Å; Y277-W279 AromaticContact CG-CH2 3.87Å; Y277-W279 HydrophobicContact CG-CH2 3.87Å; Y277-W279 HydrophobicContact CG-CZ2 4.24Å; Y277-W279 HydrophobicContact CG-CZ3 4.49Å; Y277-W279 VanDerWaalsContact O-CZ3 3.26Å; Y277-W279 WeakPolarHBondContact O-CZ3 3.4Å; W279-N285 WeakPolarHBondContact CA-O 3.5Å; W279-N285 WeakPolarHBondContact CB-O 3.34Å; W279-L286 VanDerWaalsContact CD1-CA 3.49Å; W279-L286 HydrophobicContact CD2-CD1 3.9Å; W279-L286 HydrophobicContact CG-CD1 4.19Å; W279-L286 HydrophobicContact CZ2-CD1 3.95Å
280E96.7Very high95.2Very high49 Ų4944.9 Ų44.923%0.22922%0.224CC..EExtended strand (participates in β ladder)trans-79.6132.5164.7-156.8-173.915500109Y265 S282 I283 G284 N285 V287Y265-E280 HydrophobicContact CE1-CB 4.5Å; Y265-E280 HydrophobicContact CE1-CG 4.28Å; E280-S282 VanDerWaalsContact CD-OG 3.26Å; E280-S282 WeakPolarHBondContact CG-OG 3.28Å; E280-S282 PolarHBondContact OE1-OG 2.84Å; E280-I283 WeakPolarHBondContact OE2-CD1 3.43Å; E280-G284 WeakPolarHBondContact O-CA 2.95Å; E280-G284 PolarHBondContact O-N 2.79Å; E280-N285 WeakPolarHBondContact CB-OD1 3.37Å; E280-N285 PolarHBondContact N-O 2.86Å; E280-N285 PolarHBondContact OE2-OD1 2.63Å; E280-V287 HydrophobicContact CB-CG2 3.99Å
281K95.3Very high95.2Very high31 Ų3151.4 Ų51.414%0.13525%0.254CS..THydrogen-bonded Turntrans-68.7-44.5-176.6176.7-161.666.2-1560111.8C212 V224 F259 G263 E264 I266C212-K281 HydrophobicContact CB-CD 4.26Å; V224-K281 HydrophobicContact CG1-CG 4.28Å; F259-K281 HydrophobicContact CE1-CD 4.42Å; G263-K281 VanDerWaalsContact O-CD 3.28Å; G263-K281 WeakPolarHBondContact O-CD 3.42Å; G263-K281 WeakPolarHBondContact O-CE 3.35Å; G263-K281 PolarHBondContact O-NZ 3.44Å; E264-K281 WeakPolarHBondContact O-CB 3.38Å; E264-K281 PolarHBondContact O-N 2.89Å; E264-K281 IonicContact OE1-NZ 2.71Å; E264-K281 PolarHBondContact OE1-NZ 3.15Å; E264-K281 VanDerWaalsContact OE2-CE 3.31Å; E264-K281 WeakPolarHBondContact OE2-CE 3.38Å; E264-K281 IonicContact OE2-NZ 3.38Å; E264-K281 PolarHBondContact OE2-NZ 2.91Å; E264-K281 VanDerWaalsContact OE2-NZ 3.14Å; I266-K281 HydrophobicContact CD1-CB 4.35Å; I266-K281 HydrophobicContact CD1-CG 4.46Å
282S94Very high95.1Very high70 Ų7051.3 Ų51.349%0.4926%0.256SS..THydrogen-bonded Turntrans-59.2-52.5-17653.10000111.8E280E280-S282 VanDerWaalsContact CD-OG 3.26Å; E280-S282 WeakPolarHBondContact CG-OG 3.28Å; E280-S282 PolarHBondContact OE1-OG 2.84Å
283I94.9Very high95.4Very high108 Ų10844.2 Ų44.255%0.55424%0.238SC*.THydrogen-bonded Turntrans-92.7-35.6-175.7-54.1179.6000111.3Q243 E280 N285Q243-I283 PolarHBondContact NE2-O 2.88Å; Q243-I283 VanDerWaalsContact NE2-O 3.09Å; E280-I283 WeakPolarHBondContact OE2-CD1 3.43Å; I283-N285 VanDerWaalsContact C-N 3.33Å; I283-N285 HydrophobicContact CG2-CB 4.18Å
284G94.5Very high95.3Very high18 Ų1852.7 Ų52.719%0.18627%0.267CS..  trans78.510.7-173.600000115.4E280E280-G284 WeakPolarHBondContact O-CA 2.95Å; E280-G284 PolarHBondContact O-N 2.79Å
285N95.7Very high94.8Very high69 Ų6956.2 Ų56.237%0.36930%0.304SS..  trans-69.6148.2172.159.2-10.2000110.3W279 E280 I283 V287W279-N285 WeakPolarHBondContact CA-O 3.5Å; W279-N285 WeakPolarHBondContact CB-O 3.34Å; E280-N285 WeakPolarHBondContact CB-OD1 3.37Å; E280-N285 PolarHBondContact N-O 2.86Å; E280-N285 PolarHBondContact OE2-OD1 2.63Å; I283-N285 VanDerWaalsContact C-N 3.33Å; I283-N285 HydrophobicContact CG2-CB 4.18Å; N285-V287 PolarHBondContact O-N 2.85Å
286L96.9Very high94.6Very high78 Ų7859 Ų5941%0.40832%0.317SS..EExtended strand (participates in β ladder)trans-80.4115.3171.1-179.869.7000108Y277 I278 W279 I289Y277-L286 HydrophobicContact CD1-CD1 3.78Å; Y277-L286 HydrophobicContact CD1-CD2 4.07Å; Y277-L286 HydrophobicContact CE1-CD2 4.41Å; Y277-L286 HydrophobicContact CG-CD1 4.32Å; I278-L286 WeakPolarHBondContact O-CD1 3.46Å; W279-L286 VanDerWaalsContact CD1-CA 3.49Å; W279-L286 HydrophobicContact CD2-CD1 3.9Å; W279-L286 HydrophobicContact CG-CD1 4.19Å; W279-L286 HydrophobicContact CZ2-CD1 3.95Å; L286-I289 HydrophobicContact CD1-CG1 4.39Å; L286-I289 HydrophobicContact CD2-CD1 3.92Å; L286-I289 HydrophobicContact CD2-CG1 3.9Å; L286-I289 HydrophobicContact CG-CG1 4.42Å
287V95.2Very high94.4Very high42 Ų4263.5 Ų63.526%0.25534%0.341SS..EExtended strand (participates in β ladder)trans-85.5-47.7-175.5179.20000110.8Y13 Y265 I278 E280 N285Y13-V287 HydrophobicContact CD1-CG1 3.83Å; Y13-V287 HydrophobicContact CD2-CG1 4.35Å; Y13-V287 HydrophobicContact CE1-CG1 3.46Å; Y13-V287 VanDerWaalsContact CE1-CG1 3.46Å; Y13-V287 HydrophobicContact CE2-CG1 4.05Å; Y13-V287 HydrophobicContact CG-CG1 4.27Å; Y265-V287 HydrophobicContact CE1-CG2 4.3Å; I278-V287 PolarHBondContact O-N 2.89Å; E280-V287 HydrophobicContact CB-CG2 3.99Å; N285-V287 PolarHBondContact O-N 2.85Å
288K94.9Very high94.3Very high78 Ų7863.1 Ų63.134%0.33934%0.339SS..EExtended strand (participates in β ladder)trans-150.5152.2-175.3-167.173.4174.9-155.20111.7E15 I278 L290E15-K288 WeakPolarHBondContact O-CE 3.34Å; I278-K288 HydrophobicContact CB-CB 4.48Å; I278-K288 PolarHBondContact N-O 3.46Å; I278-K288 PolarHBondContact O-N 2.99Å; K288-L290 HydrophobicContact CG-CD2 3.95Å; K288-L290 HydrophobicContact CG-CG 4.49Å
289I96.1Very high94.2Very high50 Ų5064.9 Ų64.926%0.25635%0.349SS..EExtended strand (participates in β ladder)trans-121.1118.9163.8-53.8174.6000108.6A275 L276 Y277 L286 H291A275-I289 HydrophobicContact CB-CG2 4.05Å; L276-I289 CarbonylContact O-C 3.54Å; L276-I289 WeakPolarHBondContact O-CA 3.47Å; Y277-I289 HydrophobicContact CD1-CD1 3.98Å; Y277-I289 HydrophobicContact CD1-CG1 3.9Å; Y277-I289 HydrophobicContact CD2-CG2 4.19Å; Y277-I289 HydrophobicContact CE1-CD1 3.56Å; Y277-I289 HydrophobicContact CE1-CG1 4.01Å; Y277-I289 HydrophobicContact CE2-CG2 4.08Å; Y277-I289 HydrophobicContact CG-CG1 4.25Å; L286-I289 HydrophobicContact CD1-CG1 4.39Å; L286-I289 HydrophobicContact CD2-CD1 3.92Å; L286-I289 HydrophobicContact CD2-CG1 3.9Å; L286-I289 HydrophobicContact CG-CG1 4.42Å; I289-H291 VanDerWaalsContact CG2-CE1 3.48Å; I289-H291 WeakPolarHBondContact CG2-CE1 3.32Å; I289-H291 PolarHBondContact O-ND1 2.94Å
290L96Very high94.2Very high4 Ų465.2 Ų65.22%0.02135%0.351CS..EExtended strand (participates in β ladder)trans-92.2122.3172.9-54.9175.1000109P14 E15 A275 L276 I278 K288 W321P14-L290 HydrophobicContact CB-CD1 4.27Å; P14-L290 HydrophobicContact CG-CD1 4.04Å; E15-L290 VanDerWaalsContact O-CD2 3.28Å; E15-L290 WeakPolarHBondContact O-CD2 3.44Å; A275-L290 CarbonylContact C-O 3.52Å; A275-L290 VanDerWaalsContact CA-O 3.24Å; A275-L290 WeakPolarHBondContact CA-O 3.44Å; L276-L290 HydrophobicContact CB-CB 4.15Å; L276-L290 HydrophobicContact CD1-CD1 4.36Å; L276-L290 PolarHBondContact N-O 3.28Å; L276-L290 PolarHBondContact O-N 3.37Å; I278-L290 HydrophobicContact CD1-CD1 3.95Å; I278-L290 HydrophobicContact CD1-CG 4.3Å; K288-L290 HydrophobicContact CG-CD2 3.95Å; K288-L290 HydrophobicContact CG-CG 4.49Å; L290-W321 HydrophobicContact CB-CD2 4.33Å; L290-W321 HydrophobicContact CB-CE3 3.76Å; L290-W321 HydrophobicContact CB-CH2 4.38Å; L290-W321 HydrophobicContact CB-CZ3 3.79Å; L290-W321 HydrophobicContact CD1-CB 3.98Å; L290-W321 HydrophobicContact CD1-CD2 4.04Å; L290-W321 HydrophobicContact CD1-CE3 3.91Å; L290-W321 HydrophobicContact CD1-CG 4.08Å; L290-W321 HydrophobicContact CD2-CE3 4.34Å; L290-W321 HydrophobicContact CG-CE3 4.23Å
291H95.1Very high94.2Very high136 Ų13663 Ų6363%0.6334%0.341SS*.EExtended strand (participates in β ladder)trans-101.2117.7-176.7-66.486.1000110.3I289 W321I289-H291 VanDerWaalsContact CG2-CE1 3.48Å; I289-H291 WeakPolarHBondContact CG2-CE1 3.32Å; I289-H291 PolarHBondContact O-ND1 2.94Å; H291-W321 WeakPolarHBondContact O-CH2 3.27Å
292G92Very high94.4Very high19 Ų1962.1 Ų62.120%0.19634%0.34CS..  trans-78.2178.2170.800000112.8H274 R294H274-G292 WeakPolarHBondContact O-CA 3.45Å; H274-G292 PolarHBondContact O-N 2.89Å; G292-R294 PolarHBondContact O-N 3.45Å
293T91.5Very high94.5Very high79 Ų7959.2 Ų59.249%0.48532%0.318SS..  trans-62.4125.4176.545.80000111.3H274 G295 E296H274-T293 PolarHBondContact CE1-OG1 3.34Å; H274-T293 PolarHBondContact ND1-N 2.99Å; H274-T293 PolarHBondContact ND1-O 3.32Å; H274-T293 PolarHBondContact ND1-OG1 3.14Å; T293-G295 PolarHBondContact O-N 3.26Å; T293-E296 PolarHBondContact O-N 2.84Å; T293-E296 WeakPolarHBondContact OG1-CG 3.43Å; T293-E296 PolarHBondContact OG1-OE1 3.4Å; T293-E296 PolarHBondContact OG1-OE2 2.74Å
294R89.1Confident94.6Very high249 Ų24954.4 Ų54.494%0.9429%0.293SS*.THydrogen-bonded Turntrans-62.4127.2-177.7-176.3-179.9178.7179.30.8111.1G292G292-R294 PolarHBondContact O-N 3.45Å
295G85.9Confident94.5Very high79 Ų7954 Ų5481%0.81429%0.287SS*.THydrogen-bonded Turntrans102.4-11.5174.500000114.1T293T293-G295 PolarHBondContact O-N 3.26Å
296E91.9Very high94.1Very high57 Ų5751.9 Ų51.927%0.26628%0.277SS..  trans-78.5150168.7-68179.8-157.200111.7H274 T293 S314 S315H274-E296 IonicContact CE1-OE2 3.9Å; H274-E296 PolarHBondContact CE1-OE2 3.47Å; T293-E296 PolarHBondContact O-N 2.84Å; T293-E296 WeakPolarHBondContact OG1-CG 3.43Å; T293-E296 PolarHBondContact OG1-OE1 3.4Å; T293-E296 PolarHBondContact OG1-OE2 2.74Å; E296-S314 VanDerWaalsContact OE2-CB 3.31Å; E296-S314 WeakPolarHBondContact OE2-CB 3.33Å; E296-S314 PolarHBondContact OE2-OG 3.37Å; E296-S315 WeakPolarHBondContact CA-OG 3.1Å; E296-S315 WeakPolarHBondContact CB-OG 3.39Å; E296-S315 WeakPolarHBondContact CG-OG 3.28Å
297L93.2Very high93.7Very high98 Ų9850.8 Ų50.851%0.51327%0.267SS..  trans-101.8112.6180-179.268.4000109.2A271 L299 S314 S315A271-L297 HydrophobicContact CB-CD1 3.9Å; L297-L299 HydrophobicContact CD2-CD2 4.1Å; L297-L299 HydrophobicContact CG-CD2 4.18Å; L297-L299 PolarHBondContact O-N 3.3Å; L297-S314 WeakPolarHBondContact O-CA 3.19Å; L297-S315 PolarHBondContact N-OG 3.11Å; L297-S315 PolarHBondContact O-N 2.86Å
298L95.9Very high93.6Very high2 Ų250.2 Ų50.21%0.0126%0.264CS..EExtended strand (participates in β ladder)trans-64.8126.8174.1-168.673.2000110.3A271 L276 V301A271-L298 HydrophobicContact CB-CB 4.45Å; A271-L298 WeakPolarHBondContact CB-O 3.12Å; L276-L298 HydrophobicContact CD2-CD1 4.22Å; L276-L298 HydrophobicContact CD2-CD2 3.67Å; L298-V301 HydrophobicContact CD1-CG2 4.2Å; L298-V301 HydrophobicContact CD2-CG2 3.75Å; L298-V301 HydrophobicContact CG-CG2 4.18Å
299L95.6Very high93.5Very high37 Ų3747.8 Ų47.819%0.19426%0.255CS..EExtended strand (participates in β ladder)trans-105.6-47-177.9-59.4-177.2000111.9L28 K255 L297 I313L28-L299 HydrophobicContact CD2-CD1 3.88Å; K255-L299 WeakPolarHBondContact CE-O 3.08Å; L297-L299 HydrophobicContact CD2-CD2 4.1Å; L297-L299 HydrophobicContact CG-CD2 4.18Å; L297-L299 PolarHBondContact O-N 3.3Å; L299-I313 HydrophobicContact CB-CB 4.46Å; L299-I313 HydrophobicContact CB-CG2 4.1Å; L299-I313 HydrophobicContact CD1-CG2 4.14Å; L299-I313 HydrophobicContact CG-CG2 4.5Å; L299-I313 PolarHBondContact N-O 2.96Å
300D97.5Very high93.6Very high16 Ų1645.4 Ų45.49%0.08624%0.243CC..EExtended strand (participates in β ladder)trans-146.3158.1-174.3-155.77.6000112.2T29 C30 S312 I313T29-D300 WeakPolarHBondContact CA-OD2 3.48Å; T29-D300 WeakPolarHBondContact CB-OD2 3.39Å; T29-D300 PolarHBondContact OG1-OD2 3Å; C30-D300 PolarHBondContact N-OD2 2.64Å; D300-S312 WeakPolarHBondContact O-CA 3.19Å; D300-I313 HydrophobicContact CB-CB 4.24Å; D300-I313 HydrophobicContact CB-CD1 4.25Å; D300-I313 PolarHBondContact N-O 3.24Å; D300-I313 PolarHBondContact O-N 3.4Å
301V98Very high93.7Very high2 Ų245.2 Ų45.21%0.01224%0.242CC..EExtended strand (participates in β ladder)trans-146.7129-179.6-176.10000109.5K256 V267 L276 L298 I310 A311K256-V301 HydrophobicContact CB-CB 4.31Å; K256-V301 HydrophobicContact CB-CG2 4.42Å; K256-V301 HydrophobicContact CG-CB 4.15Å; K256-V301 WeakPolarHBondContact CG-O 3.45Å; V267-V301 HydrophobicContact CG1-CG1 3.91Å; V267-V301 HydrophobicContact CG2-CG1 4.28Å; L276-V301 HydrophobicContact CD2-CG1 4.31Å; L276-V301 HydrophobicContact CD2-CG2 3.67Å; L298-V301 HydrophobicContact CD1-CG2 4.2Å; L298-V301 HydrophobicContact CD2-CG2 3.75Å; L298-V301 HydrophobicContact CG-CG2 4.18Å; V301-I310 HydrophobicContact CG1-CG2 3.8Å; V301-A311 WeakPolarHBondContact CA-O 3.1Å
302A98Very high93.8Very high14 Ų1438.7 Ų38.712%0.11621%0.212CC..EExtended strand (participates in β ladder)trans-135.3132.1174.800000110.7F32 I310 A311F32-A302 HydrophobicContact CD2-CB 3.94Å; F32-A302 HydrophobicContact CE2-CB 3.92Å; A302-I310 WeakPolarHBondContact O-CA 3.23Å; A302-A311 PolarHBondContact N-O 2.79Å; A302-A311 PolarHBondContact O-N 2.93Å
303W97.5Very high94Very high9 Ų937.8 Ų37.83%0.03420%0.202CC..EExtended strand (participates in β ladder)trans-88.8137.3170.7-155-51.1000109.8F259 S260 Y265 V267 I278 R307 I309 I310F259-W303 WeakPolarHBondContact O-CB 3.26Å; S260-W303 VanDerWaalsContact CA-CD2 3.49Å; Y265-W303 VanDerWaalsContact CB-CH2 3.46Å; Y265-W303 HydrophobicContact CG-CH2 4.14Å; V267-W303 HydrophobicContact CB-CE3 3.86Å; V267-W303 HydrophobicContact CB-CZ3 3.87Å; V267-W303 HydrophobicContact CG1-CE3 3.69Å; V267-W303 HydrophobicContact CG1-CZ3 4.23Å; I278-W303 HydrophobicContact CG2-CH2 4Å; I278-W303 HydrophobicContact CG2-CZ3 4.2Å; W303-R307 PolarHBondContact NE1-O 3.33Å; W303-R307 VanDerWaalsContact NE1-O 3.14Å; W303-I309 VanDerWaalsContact CD1-O 3.28Å; W303-I310 HydrophobicContact CB-CG1 4.33Å; W303-I310 HydrophobicContact CD2-CD1 3.94Å; W303-I310 HydrophobicContact CD2-CG1 3.73Å; W303-I310 HydrophobicContact CE3-CD1 3.73Å; W303-I310 HydrophobicContact CE3-CG1 4.02Å; W303-I310 HydrophobicContact CG-CG1 3.89Å; W303-I310 HydrophobicContact CH2-CD1 4.33Å; W303-I310 HydrophobicContact CZ3-CD1 3.93Å
304H95.7Very high94.2Very high7 Ų734 Ų343%0.03218%0.179CC..  trans-58.7135.4172.1-171.8-79.1000111.2F32 G36 V306 R307 I309F32-H304 AromaticContact CD1-CD2 3.93Å; F32-H304 HydrophobicContact CE1-CB 4.28Å; F32-H304 AromaticContact CE1-CD2 3.59Å; F32-H304 HydrophobicContact CE2-CB 4.4Å; F32-H304 HydrophobicContact CZ-CB 4.12Å; G36-H304 WeakPolarHBondContact CA-NE2 3.34Å; G36-H304 PolarHBondContact O-NE2 2.82Å; H304-V306 VanDerWaalsContact C-N 3.27Å; H304-V306 VanDerWaalsContact CE1-CG2 3.42Å; H304-V306 WeakPolarHBondContact CE1-CG2 3.32Å; H304-V306 PolarHBondContact ND1-N 3.22Å; H304-V306 VanDerWaalsContact ND1-N 3.18Å; H304-V306 PolarHBondContact O-N 2.84Å; H304-R307 HydrophobicContact CB-CB 4.35Å; H304-R307 WeakPolarHBondContact ND1-CB 3.36Å; H304-R307 PolarHBondContact ND1-N 3.01Å; H304-R307 VanDerWaalsContact ND1-N 3.1Å; H304-I309 HydrophobicContact CB-CB 3.82Å; H304-I309 HydrophobicContact CB-CG2 4.4Å; H304-I309 WeakPolarHBondContact CB-O 3.2Å; H304-I309 PolarHBondContact N-O 2.9Å
305P92.5Very high94.3Very high9 Ų925.6 Ų25.66%0.05816%0.158CC..THydrogen-bonded Turntrans-62.3-26.4-173.516.3-28.6000116.3F32 R34 G36 G261F32-P305 HydrophobicContact CB-CG 4.5Å; R34-P305 VanDerWaalsContact O-CB 3.28Å; R34-P305 WeakPolarHBondContact O-CB 3.33Å; R34-P305 VanDerWaalsContact O-CG 3.3Å; R34-P305 WeakPolarHBondContact O-CG 3.41Å; G36-P305 VanDerWaalsContact CA-CG 3.44Å; G36-P305 VanDerWaalsContact N-CG 3.25Å; G261-P305 WeakPolarHBondContact CA-O 3.17Å
306V88.6Confident94.6Very high25 Ų2522.3 Ų22.315%0.15213%0.125CC..THydrogen-bonded Turntrans-136.411-173.3-570000114.2L3 H304 A385 F386L3-V306 HydrophobicContact CD2-CB 4.1Å; L3-V306 HydrophobicContact CD2-CG2 4.23Å; L3-V306 VanDerWaalsContact CD2-O 3.31Å; L3-V306 WeakPolarHBondContact CD2-O 3.28Å; H304-V306 VanDerWaalsContact C-N 3.27Å; H304-V306 VanDerWaalsContact CE1-CG2 3.42Å; H304-V306 WeakPolarHBondContact CE1-CG2 3.32Å; H304-V306 PolarHBondContact ND1-N 3.22Å; H304-V306 VanDerWaalsContact ND1-N 3.18Å; H304-V306 PolarHBondContact O-N 2.84Å; V306-A385 HydrophobicContact CB-CB 4.06Å; V306-A385 HydrophobicContact CG1-CB 3.8Å; V306-A385 VanDerWaalsContact CG1-O 3.31Å; V306-A385 WeakPolarHBondContact CG1-O 3.24Å; V306-F386 HydrophobicContact CB-CE1 4.34Å; V306-F386 HydrophobicContact CG1-CD1 3.79Å; V306-F386 HydrophobicContact CG1-CE1 3.86Å; V306-F386 HydrophobicContact CG2-CE1 3.83Å
307R88.4Confident94.8Very high55 Ų5522.1 Ų22.121%0.20813%0.127CC..SBendtrans-138.7155-177.4-69.5-168.5179.9-92.2-9110.8M1 L6 W303 H304 I309M1-R307 PolarHBondContact SD-NH2 2.95Å; L6-R307 VanDerWaalsContact CD1-NH1 3.32Å; W303-R307 PolarHBondContact NE1-O 3.33Å; W303-R307 VanDerWaalsContact NE1-O 3.14Å; H304-R307 HydrophobicContact CB-CB 4.35Å; H304-R307 WeakPolarHBondContact ND1-CB 3.36Å; H304-R307 PolarHBondContact ND1-N 3.01Å; H304-R307 VanDerWaalsContact ND1-N 3.1Å; R307-I309 HydrophobicContact CB-CB 4.39Å; R307-I309 HydrophobicContact CB-CD1 3.99Å; R307-I309 HydrophobicContact CB-CG1 4.01Å; R307-I309 PolarHBondContact O-N 2.94Å
308P91.5Very high94.9Very high29 Ų2917.4 Ų17.419%0.18810%0.103CC..SBendtrans-73.354.617033.3-37.3000111.2P14 Q323P14-P308 WeakPolarHBondContact CB-O 3.2Å; P308-Q323 HydrophobicContact CG-CB 4.27Å
309I94.4Very high94.9Very high27 Ų2718 Ų1814%0.13811%0.107CC..  trans-122.8134.7-179.9-63.6172.8000108.8F53 W303 H304 R307 I320 W321 A322F53-I309 HydrophobicContact CE1-CG2 4.27Å; W303-I309 VanDerWaalsContact CD1-O 3.28Å; H304-I309 HydrophobicContact CB-CB 3.82Å; H304-I309 HydrophobicContact CB-CG2 4.4Å; H304-I309 WeakPolarHBondContact CB-O 3.2Å; H304-I309 PolarHBondContact N-O 2.9Å; R307-I309 HydrophobicContact CB-CB 4.39Å; R307-I309 HydrophobicContact CB-CD1 3.99Å; R307-I309 HydrophobicContact CB-CG1 4.01Å; R307-I309 PolarHBondContact O-N 2.94Å; I309-I320 HydrophobicContact CG2-CG2 3.73Å; I309-W321 CarbonylContact C-O 3.56Å; I309-W321 VanDerWaalsContact CA-O 3.23Å; I309-W321 WeakPolarHBondContact CA-O 3.45Å; I309-A322 HydrophobicContact CG1-CB 4.21Å
310I97.6Very high95Very high0 Ų016.7 Ų16.70%010%0.1CC..EExtended strand (participates in β ladder)trans-119.9134.6173-66.9169.6000108.9P14 V267 L276 I278 V301 A302 W303 I320 W321P14-I310 HydrophobicContact CG-CB 4.32Å; P14-I310 HydrophobicContact CG-CD1 3.43Å; P14-I310 VanDerWaalsContact CG-CD1 3.43Å; P14-I310 HydrophobicContact CG-CG1 3.76Å; V267-I310 HydrophobicContact CB-CD1 4.04Å; V267-I310 HydrophobicContact CG1-CD1 4.22Å; V267-I310 HydrophobicContact CG2-CD1 3.95Å; L276-I310 HydrophobicContact CD1-CG2 3.91Å; I278-I310 HydrophobicContact CD1-CD1 4.12Å; V301-I310 HydrophobicContact CG1-CG2 3.8Å; A302-I310 WeakPolarHBondContact O-CA 3.23Å; W303-I310 HydrophobicContact CB-CG1 4.33Å; W303-I310 HydrophobicContact CD2-CD1 3.94Å; W303-I310 HydrophobicContact CD2-CG1 3.73Å; W303-I310 HydrophobicContact CE3-CD1 3.73Å; W303-I310 HydrophobicContact CE3-CG1 4.02Å; W303-I310 HydrophobicContact CG-CG1 3.89Å; W303-I310 HydrophobicContact CH2-CD1 4.33Å; W303-I310 HydrophobicContact CZ3-CD1 3.93Å; I310-I320 WeakPolarHBondContact O-CA 3.33Å; I310-W321 HydrophobicContact CB-CB 4.26Å; I310-W321 PolarHBondContact N-O 2.79Å; I310-W321 PolarHBondContact O-N 3.21Å
311A97.6Very high94.9Very high0 Ų016.5 Ų16.50%010%0.098CC..EExtended strand (participates in β ladder)trans-99.4130165.300000109F32 L39 V301 A302 S319 I320F32-A311 HydrophobicContact CE2-CB 3.89Å; F32-A311 HydrophobicContact CZ-CB 3.81Å; L39-A311 HydrophobicContact CD1-CB 4.46Å; L39-A311 HydrophobicContact CD2-CB 4.17Å; V301-A311 WeakPolarHBondContact CA-O 3.1Å; A302-A311 PolarHBondContact N-O 2.79Å; A302-A311 PolarHBondContact O-N 2.93Å; A311-S319 WeakPolarHBondContact CA-O 3.45Å; A311-I320 HydrophobicContact CB-CD1 3.94Å
312S97.4Very high94.6Very high0 Ų017 Ų170%010%0.102CC..EExtended strand (participates in β ladder)trans-124.8145.8173.866.90000110.9D300 V318 S319 W321D300-S312 WeakPolarHBondContact O-CA 3.19Å; S312-V318 CarbonylContact O-C 3.53Å; S312-V318 WeakPolarHBondContact O-CA 3.03Å; S312-S319 PolarHBondContact N-O 2.83Å; S312-S319 PolarHBondContact O-N 2.68Å; S312-W321 PolarHBondContact OG-NE1 2.9Å
313I97.1Very high94Very high0 Ų018.8 Ų18.80%011%0.108CC..EExtended strand (participates in β ladder)trans-111.4125.7174-64.3175.5000109.4A27 C30 V41 L299 D300 V317 V318A27-I313 HydrophobicContact CB-CD1 3.96Å; A27-I313 HydrophobicContact CB-CG1 4.2Å; A27-I313 HydrophobicContact CB-CG2 3.85Å; A27-I313 VanDerWaalsContact O-CG2 3.23Å; A27-I313 WeakPolarHBondContact O-CG2 3.18Å; C30-I313 HydrophobicContact CB-CD1 3.74Å; C30-I313 HydrophobicContact CB-CG1 4.48Å; V41-I313 HydrophobicContact CG1-CD1 4.33Å; L299-I313 HydrophobicContact CB-CB 4.46Å; L299-I313 HydrophobicContact CB-CG2 4.1Å; L299-I313 HydrophobicContact CD1-CG2 4.14Å; L299-I313 HydrophobicContact CG-CG2 4.5Å; L299-I313 PolarHBondContact N-O 2.96Å; D300-I313 HydrophobicContact CB-CB 4.24Å; D300-I313 HydrophobicContact CB-CD1 4.25Å; D300-I313 PolarHBondContact N-O 3.24Å; D300-I313 PolarHBondContact O-N 3.4Å; I313-V317 WeakPolarHBondContact CA-O 3.43Å; I313-V318 HydrophobicContact CG1-CG2 4.19Å
314S95Very high92.9Very high0 Ų021.7 Ų21.70%012%0.124CC..EExtended strand (participates in β ladder)trans-137.3130.2175.157.60000110.2H274 E296 L297 G316 V317H274-S314 VanDerWaalsContact CE1-CB 3.43Å; H274-S314 WeakPolarHBondContact CE1-CB 3.5Å; H274-S314 PolarHBondContact CE1-OG 2.94Å; H274-S314 VanDerWaalsContact CE1-OG 3.27Å; H274-S314 WeakPolarHBondContact NE2-CB 3.48Å; H274-S314 PolarHBondContact NE2-OG 2.91Å; E296-S314 VanDerWaalsContact OE2-CB 3.31Å; E296-S314 WeakPolarHBondContact OE2-CB 3.33Å; E296-S314 PolarHBondContact OE2-OG 3.37Å; L297-S314 WeakPolarHBondContact O-CA 3.19Å; S314-G316 PolarHBondContact O-N 3.16Å; S314-V317 PolarHBondContact N-O 2.84Å; S314-V317 PolarHBondContact O-N 2.85Å
315S91.6Very high91.7Very high71 Ų7129 Ų2950%0.49716%0.159SC..THydrogen-bonded Turntrans49.828.1177.5-56.80000116E296 L297E296-S315 WeakPolarHBondContact CA-OG 3.1Å; E296-S315 WeakPolarHBondContact CB-OG 3.39Å; E296-S315 WeakPolarHBondContact CG-OG 3.28Å; L297-S315 PolarHBondContact N-OG 3.11Å; L297-S315 PolarHBondContact O-N 2.86Å
316G92.7Very high90.5Very high11 Ų1133.9 Ų33.911%0.11319%0.188CC..THydrogen-bonded Turntrans91.1-0.1-178.600000115.9M26 A27 S314M26-G316 PolarHBondContact N-O 3.26Å; M26-G316 VanDerWaalsContact N-O 3.13Å; A27-G316 PolarHBondContact N-O 2.62Å; A27-G316 WeakPolarHBondContact O-CA 3.44Å; S314-G316 PolarHBondContact O-N 3.16Å
317V95.1Very high89.7Confident52 Ų5239 Ų3932%0.31521%0.21SC..EExtended strand (participates in β ladder)trans-106.6140.8178.4-178.60000109.3T20 I313 S314T20-V317 HydrophobicContact CG2-CG1 3.81Å; I313-V317 WeakPolarHBondContact CA-O 3.43Å; S314-V317 PolarHBondContact N-O 2.84Å; S314-V317 PolarHBondContact O-N 2.85Å
318V96.2Very high88.7Confident0 Ų038.4 Ų38.40%021%0.211CC..EExtended strand (participates in β ladder)trans-96.5121.9172.3-1710000108.4T20 L21 I24 A27 L39 V41 S312 I313 I320T20-V318 CarbonylContact C-O 3.54Å; T20-V318 VanDerWaalsContact CA-O 3.3Å; T20-V318 WeakPolarHBondContact CA-O 3.39Å; L21-V318 HydrophobicContact CB-CB 4.16Å; L21-V318 HydrophobicContact CD1-CB 4.1Å; L21-V318 HydrophobicContact CD1-CG1 3.87Å; L21-V318 HydrophobicContact CG-CB 4.14Å; L21-V318 HydrophobicContact CG-CG1 4.21Å; L21-V318 PolarHBondContact N-O 2.94Å; I24-V318 HydrophobicContact CB-CG2 4.47Å; I24-V318 HydrophobicContact CD1-CG2 4.37Å; I24-V318 HydrophobicContact CG2-CG2 4.3Å; A27-V318 HydrophobicContact CB-CG2 3.65Å; L39-V318 HydrophobicContact CD2-CG1 4.23Å; V41-V318 HydrophobicContact CG1-CG2 4.15Å; V41-V318 HydrophobicContact CG2-CG2 4.24Å; S312-V318 CarbonylContact O-C 3.53Å; S312-V318 WeakPolarHBondContact O-CA 3.03Å; I313-V318 HydrophobicContact CG1-CG2 4.19Å; V318-I320 HydrophobicContact CG1-CD1 4.29Å
319S96Very high87.7Confident15 Ų1544.2 Ų44.211%0.10523%0.23CC..EExtended strand (participates in β ladder)trans-106.9139.2172.9-52.60000110.2G19 A311 S312G19-S319 WeakPolarHBondContact O-CA 3.25Å; A311-S319 WeakPolarHBondContact CA-O 3.45Å; S312-S319 PolarHBondContact N-O 2.83Å; S312-S319 PolarHBondContact O-N 2.68Å
320I95.8Very high86.8Confident9 Ų944.5 Ų44.55%0.04623%0.234CC..EExtended strand (participates in β ladder)trans-106.1131.6175.5-55.2-55.4000108.4D18 G19 L21 F53 I309 I310 A311 V318D18-I320 HydrophobicContact CB-CG2 4.37Å; D18-I320 PolarHBondContact N-O 2.85Å; G19-I320 PolarHBondContact N-O 2.88Å; G19-I320 PolarHBondContact O-N 2.79Å; L21-I320 HydrophobicContact CD1-CD1 4.29Å; L21-I320 HydrophobicContact CD2-CG1 3.94Å; L21-I320 HydrophobicContact CG-CD1 4.38Å; L21-I320 HydrophobicContact CG-CG1 4.17Å; F53-I320 HydrophobicContact CZ-CD1 4.08Å; I309-I320 HydrophobicContact CG2-CG2 3.73Å; I310-I320 WeakPolarHBondContact O-CA 3.33Å; A311-I320 HydrophobicContact CB-CD1 3.94Å; V318-I320 HydrophobicContact CG1-CD1 4.29Å
321W96.1Very high85.8Confident11 Ų1148.4 Ų48.44%0.04227%0.266CS..EExtended strand (participates in β ladder)trans-115129.5175.3-50.281.3000107.6P14 E16 A17 L276 L290 H291 I309 I310 S312P14-W321 HydrophobicContact CB-CB 4.03Å; E16-W321 CarbonylContact O-C 3.48Å; E16-W321 VanDerWaalsContact O-CA 3.25Å; E16-W321 WeakPolarHBondContact O-CA 3.41Å; A17-W321 HydrophobicContact CB-CE3 3.83Å; A17-W321 HydrophobicContact CB-CH2 4.3Å; A17-W321 HydrophobicContact CB-CZ3 3.71Å; L276-W321 HydrophobicContact CD1-CD2 4.31Å; L276-W321 HydrophobicContact CD1-CG 4.26Å; L290-W321 HydrophobicContact CB-CD2 4.33Å; L290-W321 HydrophobicContact CB-CE3 3.76Å; L290-W321 HydrophobicContact CB-CH2 4.38Å; L290-W321 HydrophobicContact CB-CZ3 3.79Å; L290-W321 HydrophobicContact CD1-CB 3.98Å; L290-W321 HydrophobicContact CD1-CD2 4.04Å; L290-W321 HydrophobicContact CD1-CE3 3.91Å; L290-W321 HydrophobicContact CD1-CG 4.08Å; L290-W321 HydrophobicContact CD2-CE3 4.34Å; L290-W321 HydrophobicContact CG-CE3 4.23Å; H291-W321 WeakPolarHBondContact O-CH2 3.27Å; I309-W321 CarbonylContact C-O 3.56Å; I309-W321 VanDerWaalsContact CA-O 3.23Å; I309-W321 WeakPolarHBondContact CA-O 3.45Å; I310-W321 HydrophobicContact CB-CB 4.26Å; I310-W321 PolarHBondContact N-O 2.79Å; I310-W321 PolarHBondContact O-N 3.21Å; S312-W321 PolarHBondContact OG-NE1 2.9Å
322A92.1Very high85Confident12 Ų1254.8 Ų54.810%0.09929%0.294CS..EExtended strand (participates in β ladder)trans-135.1173.1-178.100000110.5P14 E15 E16 D18 I309P14-A322 WeakPolarHBondContact CA-O 3.33Å; E15-A322 PolarHBondContact N-O 2.9Å; E16-A322 PolarHBondContact N-O 3.4Å; E16-A322 PolarHBondContact O-N 2.61Å; D18-A322 HydrophobicContact CB-CB 3.8Å; I309-A322 HydrophobicContact CG1-CB 4.21Å
323Q86.2Confident84.3Confident53 Ų5356 Ų5625%0.24830%0.303CS..  trans-70.6144.1168-164.4-165.9-15.300109.5Q11 P308 Q325Q11-Q323 PolarHBondContact O-OE1 3.34Å; P308-Q323 HydrophobicContact CG-CB 4.27Å; Q323-Q325 PolarHBondContact O-N 3.36Å
324N74.4Confident83.5Confident69 Ų6962.8 Ų62.837%0.36935%0.348SS..  trans-62.4130.8171.6-170.9-0.1000109.4E16 V326E16-N324 HydrophobicContact CG-CB 4.44Å; E16-N324 PolarHBondContact OE1-OD1 3.35Å; N324-V326 PolarHBondContact O-N 3.33Å
325Q68.9Low83Confident161 Ų16168.5 Ų68.575%0.75238%0.379SS*.  trans-80.1100.8174.1-66.2-169.724.400108.3Q323Q323-Q325 PolarHBondContact O-N 3.36Å
326V68.8Low82.5Confident111 Ų11170.5 Ų70.567%0.67338%0.378SS*.  trans-81.4117.8167.3-176.80000107.2N324 N328N324-V326 PolarHBondContact O-N 3.33Å; V326-N328 PolarHBondContact O-N 3.44Å; V326-N328 VanDerWaalsContact O-N 3.13Å
327E70Confident81.8Confident132 Ų13278.7 Ų78.762%0.61741%0.411SS*.  trans-63.1112.6172.9-67.7179163.500108.5W329E327-W329 VanDerWaalsContact O-CD1 3.29Å; E327-W329 PolarHBondContact O-N 2.91Å; E327-W329 VanDerWaalsContact O-N 3.16Å
328N68.6Low80.8Confident44 Ų4481.3 Ų81.324%0.23542%0.42CS..  trans-78.2100.6177-177.2-4000109.2V326 S330 A331V326-N328 PolarHBondContact O-N 3.44Å; V326-N328 VanDerWaalsContact O-N 3.13Å; N328-S330 VanDerWaalsContact CG-OG 3.31Å; N328-S330 PolarHBondContact ND2-OG 3.5Å; N328-S330 PolarHBondContact O-N 3.13Å; N328-S330 WeakPolarHBondContact OD1-CB 3.38Å; N328-S330 PolarHBondContact OD1-N 2.99Å; N328-S330 PolarHBondContact OD1-OG 2.85Å; N328-A331 HydrophobicContact CB-CB 4.4Å; N328-A331 WeakPolarHBondContact O-CB 3.39Å; N328-A331 PolarHBondContact O-N 3.14Å; N328-A331 VanDerWaalsContact O-N 3.08Å
329W70.6Confident80Confident151 Ų15186.5 Ų86.557%0.57245%0.447SS*.G310 helixtrans-68.4-22.4-178.2-72.586.3000112.8E327 A331 F332E327-W329 VanDerWaalsContact O-CD1 3.29Å; E327-W329 PolarHBondContact O-N 2.91Å; E327-W329 VanDerWaalsContact O-N 3.16Å; W329-A331 PolarHBondContact O-N 2.94Å; W329-F332 HydrophobicContact CB-CD2 4.27Å; W329-F332 HydrophobicContact CB-CE2 4.44Å; W329-F332 HydrophobicContact CD2-CD2 4.04Å; W329-F332 AromaticContact CD2-CE2 3.61Å; W329-F332 HydrophobicContact CD2-CE2 3.61Å; W329-F332 AromaticContact CE3-CD2 3.46Å; W329-F332 HydrophobicContact CE3-CD2 3.46Å; W329-F332 VanDerWaalsContact CE3-CD2 3.46Å; W329-F332 AromaticContact CE3-CE2 3.26Å; W329-F332 HydrophobicContact CE3-CE2 3.26Å; W329-F332 HydrophobicContact CE3-CZ 4.21Å; W329-F332 HydrophobicContact CG-CD2 4.41Å; W329-F332 HydrophobicContact CG-CE2 4.15Å; W329-F332 HydrophobicContact CH2-CE2 4.29Å; W329-F332 HydrophobicContact CZ3-CD2 4.06Å; W329-F332 AromaticContact CZ3-CE2 3.64Å; W329-F332 HydrophobicContact CZ3-CE2 3.64Å; W329-F332 HydrophobicContact CZ3-CZ 4.16Å; W329-F332 WeakPolarHBondContact O-CD2 3.29Å; W329-F332 PolarHBondContact O-N 3.05Å
330S75.5Confident79.2Confident33 Ų3393.9 Ų93.923%0.23149%0.485CS..G310 helixtrans-66.6-15.7173.173.30000113.4N328 F336N328-S330 VanDerWaalsContact CG-OG 3.31Å; N328-S330 PolarHBondContact ND2-OG 3.5Å; N328-S330 PolarHBondContact O-N 3.13Å; N328-S330 WeakPolarHBondContact OD1-CB 3.38Å; N328-S330 PolarHBondContact OD1-N 2.99Å; N328-S330 PolarHBondContact OD1-OG 2.85Å; S330-F336 WeakPolarHBondContact CB-O 3.46Å
331A76.3Confident78.8Confident81 Ų81101.3 Ų101.367%0.66952%0.52SS*.G310 helixtrans-83.7-6.6178.400000114.3N328 W329N328-A331 HydrophobicContact CB-CB 4.4Å; N328-A331 WeakPolarHBondContact O-CB 3.39Å; N328-A331 PolarHBondContact O-N 3.14Å; N328-A331 VanDerWaalsContact O-N 3.08Å; W329-A331 PolarHBondContact O-N 2.94Å
332F81.2Confident78.5Confident135 Ų135109 Ų10959%0.59256%0.561SS**G310 helixtrans-75.4-24.5-180-74.2-73.3000113.6W329W329-F332 HydrophobicContact CB-CD2 4.27Å; W329-F332 HydrophobicContact CB-CE2 4.44Å; W329-F332 HydrophobicContact CD2-CD2 4.04Å; W329-F332 AromaticContact CD2-CE2 3.61Å; W329-F332 HydrophobicContact CD2-CE2 3.61Å; W329-F332 AromaticContact CE3-CD2 3.46Å; W329-F332 HydrophobicContact CE3-CD2 3.46Å; W329-F332 VanDerWaalsContact CE3-CD2 3.46Å; W329-F332 AromaticContact CE3-CE2 3.26Å; W329-F332 HydrophobicContact CE3-CE2 3.26Å; W329-F332 HydrophobicContact CE3-CZ 4.21Å; W329-F332 HydrophobicContact CG-CD2 4.41Å; W329-F332 HydrophobicContact CG-CE2 4.15Å; W329-F332 HydrophobicContact CH2-CE2 4.29Å; W329-F332 HydrophobicContact CZ3-CD2 4.06Å; W329-F332 AromaticContact CZ3-CE2 3.64Å; W329-F332 HydrophobicContact CZ3-CE2 3.64Å; W329-F332 HydrophobicContact CZ3-CZ 4.16Å; W329-F332 WeakPolarHBondContact O-CD2 3.29Å; W329-F332 PolarHBondContact O-N 3.05Å
333A82.3Confident78.3Confident24 Ų24113.3 Ų113.320%0.19859%0.586CS.*SBendtrans-149.1142.4174.700000109.6D335 F336A333-D335 WeakPolarHBondContact CB-OD1 3.48Å; A333-D335 PolarHBondContact O-N 2.92Å; A333-D335 VanDerWaalsContact O-N 3.09Å; A333-F336 HydrophobicContact CB-CD1 3.71Å; A333-F336 HydrophobicContact CB-CD2 4.32Å; A333-F336 HydrophobicContact CB-CE1 3.84Å; A333-F336 HydrophobicContact CB-CE2 4.44Å; A333-F336 HydrophobicContact CB-CG 3.97Å; A333-F336 HydrophobicContact CB-CZ 4.21Å; A333-F336 PolarHBondContact O-N 2.83Å
334P80.6Confident78.4Confident144 Ų144119.5 Ų119.594%0.93562%0.615SS**THydrogen-bonded Turntrans-63.6-19.8-171.526.9-35.7000114
335D83.1Confident79.1Confident120 Ų120122.4 Ų122.464%0.64262%0.622SS**THydrogen-bonded Turntrans-91.9-8.4179.758-39.5000113.6A333A333-D335 WeakPolarHBondContact CB-OD1 3.48Å; A333-D335 PolarHBondContact O-N 2.92Å; A333-D335 VanDerWaalsContact O-N 3.09Å
336F81.6Confident80Confident112 Ų112123.1 Ų123.149%0.49163%0.625SS.*  trans-76.1140.3-179.4-76.416.7000110.9S330 A333S330-F336 WeakPolarHBondContact CB-O 3.46Å; A333-F336 HydrophobicContact CB-CD1 3.71Å; A333-F336 HydrophobicContact CB-CD2 4.32Å; A333-F336 HydrophobicContact CB-CE1 3.84Å; A333-F336 HydrophobicContact CB-CE2 4.44Å; A333-F336 HydrophobicContact CB-CG 3.97Å; A333-F336 HydrophobicContact CB-CZ 4.21Å; A333-F336 PolarHBondContact O-N 2.83Å
337K78.4Confident80.9Confident183 Ų183124.7 Ų124.780%0.79663%0.626SS**  trans-129.8127172.5-64.7-179.8-177.41760107.9
338E75Confident81.7Confident108 Ų108123.6 Ų123.651%0.50562%0.616SS.*  trans-80.6134.4172.7-167.8165.5-174.600108.5
339L78.4Confident82.3Confident109 Ų109129.5 Ų129.557%0.57164%0.642SS**  trans-118.2119.5-178.2-65177.1000108.3E341 V343L339-E341 VanDerWaalsContact C-N 3.31Å; L339-V343 HydrophobicContact CD1-CB 4.28Å; L339-V343 HydrophobicContact CD1-CG2 4.07Å; L339-V343 HydrophobicContact CD2-CG2 3.77Å; L339-V343 HydrophobicContact CG-CG2 4.45Å
340D78.7Confident82.9Confident169 Ų169122.6 Ų122.690%0.90462%0.616SS**SBendtrans-71.4-30.5174.9-72-45.7000112
341E87.8Confident83.1Confident165 Ų165125 Ų12577%0.77162%0.624SS**SBendtrans-131.2150.3178.5-64.3-171.9164.700109.8L339 V343L339-E341 VanDerWaalsContact C-N 3.31Å; E341-V343 PolarHBondContact O-N 2.81Å
342N89.5Confident83.4Confident172 Ų172129.3 Ų129.392%0.9263%0.628SS**PPolyproline II helixtrans-61.3124.4176.4-69-11.6000109.7
343V88.5Confident83.5Confident103 Ų103127 Ų12762%0.62462%0.622SS**PPolyproline II helixtrans-96.2127.8173.2-179.30000108.1L339 E341 Y345L339-V343 HydrophobicContact CD1-CB 4.28Å; L339-V343 HydrophobicContact CD1-CG2 4.07Å; L339-V343 HydrophobicContact CD2-CG2 3.77Å; L339-V343 HydrophobicContact CG-CG2 4.45Å; E341-V343 PolarHBondContact O-N 2.81Å; V343-Y345 PolarHBondContact O-N 2.88Å
344E89.3Confident83.4Confident183 Ų183134.2 Ų134.286%0.85566%0.655SS**PPolyproline II helixtrans-68.2121.5169.6-172.8170-16500108.4E346E344-E346 PolarHBondContact O-N 2.9Å
345Y88.4Confident82.9Confident130 Ų130134.4 Ų134.451%0.5164%0.644SS.*PPolyproline II helixtrans-72.7118.1178179.5-109.3000109.1V343 E347 E351V343-Y345 PolarHBondContact O-N 2.88Å; Y345-E347 HydrophobicContact CD1-CG 3.99Å; Y345-E347 HydrophobicContact CE1-CB 4.45Å; Y345-E347 HydrophobicContact CE1-CG 4.2Å; Y345-E347 PolarHBondContact O-N 3.5Å; Y345-E351 PolarHBondContact OH-OE2 2.56Å
346E88.2Confident82.2Confident176 Ų176131.2 Ų131.282%0.82263%0.627SS**  trans-75.9105.4167.6-70.3-166.9155.100108.5E344 R348E344-E346 PolarHBondContact O-N 2.9Å; E346-R348 PolarHBondContact O-N 3.42Å
347E86.9Confident81.5Confident145 Ų145133.8 Ų133.868%0.67864%0.64SS**  trans-57.9126.2178.1-65.5-179.3-176.300110.5Y345Y345-E347 HydrophobicContact CD1-CG 3.99Å; Y345-E347 HydrophobicContact CE1-CB 4.45Å; Y345-E347 HydrophobicContact CE1-CG 4.2Å; Y345-E347 PolarHBondContact O-N 3.5Å
348R85.8Confident80.9Confident108 Ų108128.6 Ų128.641%0.40862%0.621SS.*  trans-75.2152.4173.2-63.9-172.4-66.6125.10.1109.9E346 S350 E351 D356E346-R348 PolarHBondContact O-N 3.42Å; R348-S350 VanDerWaalsContact C-N 3.26Å; R348-S350 PolarHBondContact O-N 3.07Å; R348-E351 VanDerWaalsContact O-CB 3.3Å; R348-E351 WeakPolarHBondContact O-CB 3.29Å; R348-E351 PolarHBondContact O-N 3.5Å; R348-E351 VanDerWaalsContact O-N 3.16Å; R348-D356 IonicContact CZ-OD1 3.88Å; R348-D356 IonicContact CZ-OD2 3.75Å; R348-D356 IonicContact NH1-OD1 3.84Å; R348-D356 PolarHBondContact NH1-OD1 3.21Å; R348-D356 IonicContact NH1-OD2 3.97Å; R348-D356 PolarHBondContact NH1-OD2 2.81Å; R348-D356 VanDerWaalsContact NH1-OD2 3.15Å; R348-D356 IonicContact NH2-OD2 3.34Å; R348-D356 PolarHBondContact NH2-OD2 2.9Å
349E81.5Confident80.3Confident169 Ų169130.3 Ų130.379%0.7963%0.627SS**G310 helixtrans-59.3-40.2178.1173.7172.5-155.100111E351 D358E349-E351 VanDerWaalsContact C-N 3.3Å; E349-E351 PolarHBondContact O-N 2.82Å; E349-D358 WeakPolarHBondContact CB-OD2 3.37Å
350S83.3Confident79.3Confident5 Ų5129.9 Ų129.94%0.03563%0.633CS.*G310 helixtrans-75.84.8176.7-62.70000117R348 F352 D353 D356 E357 D358R348-S350 VanDerWaalsContact C-N 3.26Å; R348-S350 PolarHBondContact O-N 3.07Å; S350-F352 PolarHBondContact O-N 2.67Å; S350-F352 VanDerWaalsContact O-N 3.11Å; S350-D353 PolarHBondContact O-N 3.11Å; S350-D356 WeakPolarHBondContact CB-OD1 3.34Å; S350-E357 PolarHBondContact OG-N 2.97Å; S350-D358 WeakPolarHBondContact CB-OD2 3.22Å; S350-D358 PolarHBondContact N-OD2 3.39Å; S350-D358 WeakPolarHBondContact OG-CB 3.39Å; S350-D358 PolarHBondContact OG-N 2.79Å; S350-D358 PolarHBondContact OG-OD2 3.26Å
351E80.2Confident78Confident84 Ų84129.7 Ų129.739%0.39363%0.627SS.*G310 helixtrans-59.1-29.2-173.6-173.868.2-150.100113.3Y345 R348 E349Y345-E351 PolarHBondContact OH-OE2 2.56Å; R348-E351 VanDerWaalsContact O-CB 3.3Å; R348-E351 WeakPolarHBondContact O-CB 3.29Å; R348-E351 PolarHBondContact O-N 3.5Å; R348-E351 VanDerWaalsContact O-N 3.16Å; E349-E351 VanDerWaalsContact C-N 3.3Å; E349-E351 PolarHBondContact O-N 2.82Å
352F82.3Confident76.3Confident171 Ų171126.3 Ų126.375%0.7562%0.619SS**G310 helixtrans-108.94.7-177.6-63.2-82.9000113.7S350S350-F352 PolarHBondContact O-N 2.67Å; S350-F352 VanDerWaalsContact O-N 3.11Å
353D84.4Confident74.2Confident87 Ų87125.6 Ų125.647%0.46561%0.61SS.*  trans-86.4146.3-179.4-66.2-28.6000111.2S350 E355S350-D353 PolarHBondContact O-N 3.11Å; D353-E355 VanDerWaalsContact C-N 3.3Å; D353-E355 VanDerWaalsContact CB-O 3.31Å; D353-E355 WeakPolarHBondContact CB-O 3.28Å
354I80.1Confident72.2Confident176 Ų176126.8 Ų126.890%0.90361%0.609SS**SBendtrans-71.7-33.5177.2-62.4172.3000110.2
355E69.2Low70.1Confident147 Ų147124.6 Ų124.669%0.68761%0.608SS**SBendtrans-111.7116.2175.4-64.1179.9-175.900105.8D353 E357D353-E355 VanDerWaalsContact C-N 3.3Å; D353-E355 VanDerWaalsContact CB-O 3.31Å; D353-E355 WeakPolarHBondContact CB-O 3.28Å; E355-E357 VanDerWaalsContact C-N 3.26Å; E355-E357 PolarHBondContact O-N 2.85Å
356D69.6Low68.2Low54 Ų54119.9 Ų119.929%0.28960%0.599SS.*  trans-73.183.8-179.4-170.1-5.6000107.7R348 S350 D358 K359R348-D356 IonicContact CZ-OD1 3.88Å; R348-D356 IonicContact CZ-OD2 3.75Å; R348-D356 IonicContact NH1-OD1 3.84Å; R348-D356 PolarHBondContact NH1-OD1 3.21Å; R348-D356 IonicContact NH1-OD2 3.97Å; R348-D356 PolarHBondContact NH1-OD2 2.81Å; R348-D356 VanDerWaalsContact NH1-OD2 3.15Å; R348-D356 IonicContact NH2-OD2 3.34Å; R348-D356 PolarHBondContact NH2-OD2 2.9Å; S350-D356 WeakPolarHBondContact CB-OD1 3.34Å; D356-D358 PolarHBondContact O-N 2.75Å; D356-K359 HydrophobicContact CB-CB 3.8Å; D356-K359 HydrophobicContact CB-CD 4.33Å; D356-K359 VanDerWaalsContact CG-CB 3.49Å; D356-K359 WeakPolarHBondContact O-CB 3.25Å; D356-K359 PolarHBondContact O-N 2.66Å; D356-K359 PolarHBondContact OD1-N 2.84Å; D356-K359 VanDerWaalsContact OD1-N 3.15Å
357E65.6Low66.4Low165 Ų165113.5 Ų113.577%0.77158%0.577SS**THydrogen-bonded Turntrans-63.8-26.5-177.3-69.3-169.117600111.6S350 E355S350-E357 PolarHBondContact OG-N 2.97Å; E355-E357 VanDerWaalsContact C-N 3.26Å; E355-E357 PolarHBondContact O-N 2.85Å
358D65.4Low64.6Low75 Ų75111.6 Ų111.640%0.40157%0.571SS.*THydrogen-bonded Turntrans-89.7-1.3175-56-41000113.4E349 S350 D356 S360E349-D358 WeakPolarHBondContact CB-OD2 3.37Å; S350-D358 WeakPolarHBondContact CB-OD2 3.22Å; S350-D358 PolarHBondContact N-OD2 3.39Å; S350-D358 WeakPolarHBondContact OG-CB 3.39Å; S350-D358 PolarHBondContact OG-N 2.79Å; S350-D358 PolarHBondContact OG-OD2 3.26Å; D356-D358 PolarHBondContact O-N 2.75Å; D358-S360 PolarHBondContact O-N 2.92Å
359K62.4Low63.2Low144 Ų144109.6 Ų109.663%0.62658%0.577SS**SBendtrans-64.3105.8170.7-161.1168.9-177.2173.20106.3D356 E361D356-K359 HydrophobicContact CB-CB 3.8Å; D356-K359 HydrophobicContact CB-CD 4.33Å; D356-K359 VanDerWaalsContact CG-CB 3.49Å; D356-K359 WeakPolarHBondContact O-CB 3.25Å; D356-K359 PolarHBondContact O-N 2.66Å; D356-K359 PolarHBondContact OD1-N 2.84Å; D356-K359 VanDerWaalsContact OD1-N 3.15Å; K359-E361 PolarHBondContact O-N 2.77Å
360S58.5Low62.1Low99 Ų99104.2 Ų104.269%0.69256%0.562SS**  trans-44.1119.216554.50000106.8D358D358-S360 PolarHBondContact O-N 2.92Å
361E51.4Low61.2Low166 Ų166111.6 Ų111.678%0.77660%0.596SS**  trans-44.7134.7167.5-73.3-169.7156.300106K359 E363K359-E361 PolarHBondContact O-N 2.77Å; E361-E363 PolarHBondContact O-N 3.5Å
362P52Low60.7Low93 Ų93114.5 Ų114.560%0.60461%0.614SS**  trans-48.4126.217422.9-30.5000105Q364P362-Q364 HydrophobicContact CG-CG 4.43Å; P362-Q364 PolarHBondContact O-N 3.2Å
363E46.3Very low60.5Low157 Ų157113.1 Ų113.173%0.73461%0.61SS**  trans-58.178.2-178.9-76.5-172.1148.900108.4E361 T365 G366 A367E361-E363 PolarHBondContact O-N 3.5Å; E363-T365 PolarHBondContact O-N 3.04Å; E363-G366 PolarHBondContact O-N 3.04Å; E363-A367 WeakPolarHBondContact O-CB 3.17Å; E363-A367 PolarHBondContact O-N 3.05Å
364Q46.2Very low60.3Low129 Ų129118.4 Ų118.460%0.60363%0.632SS**Hα-helixtrans-68.9-21.8177-87.3174.5-10.900108.7P362 G366 D368P362-Q364 HydrophobicContact CG-CG 4.43Å; P362-Q364 PolarHBondContact O-N 3.2Å; Q364-G366 VanDerWaalsContact C-N 3.25Å; Q364-G366 PolarHBondContact O-N 3.14Å; Q364-D368 PolarHBondContact O-N 3.31Å
365T44.2Very low60.5Low136 Ų136115.7 Ų115.783%0.83462%0.623SS**Hα-helixtrans-73.5-13.4172.253.70000113.7E363E363-T365 PolarHBondContact O-N 3.04Å
366G48.9Very low61.3Low31 Ų31113 Ų11332%0.3261%0.614SS.*Hα-helixtrans-112.2-28.6172.200000114E363 Q364 A369 A370E363-G366 PolarHBondContact O-N 3.04Å; Q364-G366 VanDerWaalsContact C-N 3.25Å; Q364-G366 PolarHBondContact O-N 3.14Å; G366-A369 PolarHBondContact O-N 2.83Å; G366-A370 PolarHBondContact O-N 3.41Å
367A50Low62Low43 Ų43116.5 Ų116.536%0.35564%0.637SS.*Hα-helixtrans-64.6-43.4178.700000112.2E363 A369 A370 E371E363-A367 WeakPolarHBondContact O-CB 3.17Å; E363-A367 PolarHBondContact O-N 3.05Å; A367-A369 VanDerWaalsContact C-N 3.25Å; A367-A369 PolarHBondContact O-N 3.1Å; A367-A370 PolarHBondContact O-N 3.08Å; A367-E371 WeakPolarHBondContact O-CG 3.07Å; A367-E371 PolarHBondContact O-N 2.85Å
368D49.9Very low63Low105 Ų105114.4 Ų114.456%0.56164%0.635SS**Hα-helixtrans-65-31.1176.1-70-8.4000111.7Q364 D372Q364-D368 PolarHBondContact O-N 3.31Å; D368-D372 PolarHBondContact O-N 3.16Å
369A55.1Low63.9Low65 Ų65113.6 Ų113.654%0.53764%0.636SS.*Hα-helixtrans-75.7-29.2177.300000112.9G366 A367G366-A369 PolarHBondContact O-N 2.83Å; A367-A369 VanDerWaalsContact C-N 3.25Å; A367-A369 PolarHBondContact O-N 3.1Å
370A58.5Low64.7Low57 Ų57113.1 Ų113.147%0.47165%0.645SS.*Hα-helixtrans-78.8-30.5173.800000112.3G366 A367 D372 E373G366-A370 PolarHBondContact O-N 3.41Å; A367-A370 PolarHBondContact O-N 3.08Å; A370-D372 VanDerWaalsContact C-N 3.25Å; A370-D372 PolarHBondContact O-N 3.06Å; A370-E373 PolarHBondContact O-N 2.93Å
371E64.8Low65.8Low159 Ų159114.6 Ų114.674%0.74365%0.645SS**Hα-helixtrans-68.8-23.8173.9-74.3-172.8-176.400113A367A367-E371 WeakPolarHBondContact O-CG 3.07Å; A367-E371 PolarHBondContact O-N 2.85Å
372D70.2Confident67Low145 Ų145109.1 Ų109.178%0.77562%0.624SS**THydrogen-bonded Turntrans-91.35.6176.2-79.8-22.6000113.8D368 A370D368-D372 PolarHBondContact O-N 3.16Å; A370-D372 VanDerWaalsContact C-N 3.25Å; A370-D372 PolarHBondContact O-N 3.06Å
373E77.7Confident68.1Low143 Ų143106.8 Ų106.867%0.66861%0.605SS**SBendtrans-64.5136.3175-77.2-173.1172.100111.4A370 V375A370-E373 PolarHBondContact O-N 2.93Å; E373-V375 PolarHBondContact O-N 2.94Å
374E81.4Confident69.5Low197 Ų197102.8 Ų102.892%0.92160%0.599SS**  trans-67.9101.7176.1-173.4175.6-168.800109.7D376E374-D376 PolarHBondContact O-N 3.36Å
375V83.4Confident70.8Confident119 Ų11998.7 Ų98.772%0.72159%0.588SS**  trans-79.6111.6178.4-174.50000110.2E373 V377E373-V375 PolarHBondContact O-N 2.94Å; V375-V377 HydrophobicContact CG1-CG1 3.93Å
376D85.1Confident72.3Confident92 Ų9293.8 Ų93.849%0.49256%0.555SS.*  trans-86.6117.6170-167.7-3.8000111E374 T378 S379E374-D376 PolarHBondContact O-N 3.36Å; D376-T378 WeakPolarHBondContact OD1-CA 3.49Å; D376-T378 PolarHBondContact OD1-N 3.41Å; D376-T378 PolarHBondContact OD1-OG1 2.57Å; D376-S379 PolarHBondContact OD1-N 3.47Å; D376-S379 WeakPolarHBondContact OD2-CB 3.35Å; D376-S379 PolarHBondContact OD2-OG 2.93Å
377V84.7Confident73.4Confident126 Ų12693.4 Ų93.476%0.76455%0.547SS*.SBendtrans-112.65.8174.6-61.20000112.4V375V375-V377 HydrophobicContact CG1-CG1 3.93Å
378T86.9Confident74.6Confident121 Ų12192.2 Ų92.274%0.74254%0.536SS*.SBendtrans-114.9-28.9-171.560.30000113.2D376D376-T378 WeakPolarHBondContact OD1-CA 3.49Å; D376-T378 PolarHBondContact OD1-N 3.41Å; D376-T378 PolarHBondContact OD1-OG1 2.57Å
379S84.3Confident75.7Confident59 Ų5990.3 Ų90.341%0.41353%0.531SS..  trans-64.1141.6169.659.30000110.6D376D376-S379 PolarHBondContact OD1-N 3.47Å; D376-S379 WeakPolarHBondContact OD2-CB 3.35Å; D376-S379 PolarHBondContact OD2-OG 2.93Å
380V80.1Confident76.7Confident134 Ų13490 Ų9081%0.81252%0.52SS*.  trans-122.4100.4170.3-179.30000105.2
381D80.2Confident77.7Confident129 Ų12990 Ų9069%0.6951%0.51SS*.  trans-66.6133.3176.9-70.3-38.1000109.7I383D381-I383 PolarHBondContact O-N 3.39Å
382P77.3Confident78.2Confident52 Ų5290.8 Ų90.834%0.33851%0.514SS..  trans-65.7132.7176.527.7-33000109.2A384 E392 E394P382-A384 PolarHBondContact O-N 2.78Å; P382-A384 VanDerWaalsContact O-N 3.11Å; P382-E392 WeakPolarHBondContact CG-O 3.41Å; P382-E394 HydrophobicContact CB-CG 4.11Å
383I75.6Confident78.6Confident43 Ų4389.9 Ų89.922%0.22151%0.509CS..  trans-70.5111.6174.5-63.1167000107.2L3 D381 A385 F386 C387 E394L3-I383 HydrophobicContact CD1-CG2 3.81Å; D381-I383 PolarHBondContact O-N 3.39Å; I383-A385 HydrophobicContact CG2-CB 4.16Å; I383-A385 PolarHBondContact O-N 3.06Å; I383-F386 HydrophobicContact CB-CB 4.41Å; I383-F386 HydrophobicContact CB-CD2 3.65Å; I383-F386 HydrophobicContact CB-CE2 4.18Å; I383-F386 HydrophobicContact CB-CG 4.1Å; I383-F386 HydrophobicContact CD1-CD2 3.71Å; I383-F386 HydrophobicContact CD1-CE2 3.44Å; I383-F386 VanDerWaalsContact CD1-CE2 3.44Å; I383-F386 HydrophobicContact CD1-CZ 4.41Å; I383-F386 HydrophobicContact CG1-CD2 4.22Å; I383-F386 HydrophobicContact CG1-CE2 4.39Å; I383-F386 HydrophobicContact CG2-CD2 3.91Å; I383-F386 HydrophobicContact CG2-CE2 4.19Å; I383-F386 HydrophobicContact CG2-CG 4.08Å; I383-F386 WeakPolarHBondContact O-CA 3.2Å; I383-F386 WeakPolarHBondContact O-CB 3.43Å; I383-F386 PolarHBondContact O-N 3.28Å; I383-C387 PolarHBondContact O-N 2.82Å; I383-E394 VanDerWaalsContact CB-OE1 3.27Å; I383-E394 WeakPolarHBondContact CB-OE1 3.22Å; I383-E394 PolarHBondContact N-OE1 3.47Å
384A75.3Confident78.6Confident73 Ų7386.3 Ų86.360%0.60349%0.492SS*.THydrogen-bonded Turntrans-54.1-30-175.600000113.5P382 F386 C387P382-A384 PolarHBondContact O-N 2.78Å; P382-A384 VanDerWaalsContact O-N 3.11Å; A384-F386 VanDerWaalsContact C-N 3.3Å; A384-F386 PolarHBondContact O-N 3.39Å; A384-C387 PolarHBondContact O-N 3.13Å
385A73.3Confident78.5Confident44 Ų4479.1 Ų79.136%0.36446%0.46SS..THydrogen-bonded Turntrans-69.4-21.8175.800000114.2L3 V306 I383L3-A385 HydrophobicContact CD2-CB 4.29Å; V306-A385 HydrophobicContact CB-CB 4.06Å; V306-A385 HydrophobicContact CG1-CB 3.8Å; V306-A385 VanDerWaalsContact CG1-O 3.31Å; V306-A385 WeakPolarHBondContact CG1-O 3.24Å; I383-A385 HydrophobicContact CG2-CB 4.16Å; I383-A385 PolarHBondContact O-N 3.06Å
386F76.4Confident78.3Confident32 Ų3279.2 Ų79.214%0.1447%0.466CS..THydrogen-bonded Turntrans-90-18.9176.7-64.4-21.8000113.2L3 R34 W35 V306 I383 A384 E394L3-F386 HydrophobicContact CD1-CE1 4.46Å; L3-F386 HydrophobicContact CD1-CZ 4.14Å; R34-F386 PolarHBondContact NH2-O 2.89Å; R34-F386 VanDerWaalsContact NH2-O 3.16Å; W35-F386 HydrophobicContact CB-CE1 4.16Å; W35-F386 AromaticContact CD1-CD1 3.54Å; W35-F386 AromaticContact CD1-CE1 3.95Å; W35-F386 AromaticContact CD1-CG 3.59Å; W35-F386 HydrophobicContact CG-CD1 4.42Å; W35-F386 HydrophobicContact CG-CE1 4.49Å; V306-F386 HydrophobicContact CB-CE1 4.34Å; V306-F386 HydrophobicContact CG1-CD1 3.79Å; V306-F386 HydrophobicContact CG1-CE1 3.86Å; V306-F386 HydrophobicContact CG2-CE1 3.83Å; I383-F386 HydrophobicContact CB-CB 4.41Å; I383-F386 HydrophobicContact CB-CD2 3.65Å; I383-F386 HydrophobicContact CB-CE2 4.18Å; I383-F386 HydrophobicContact CB-CG 4.1Å; I383-F386 HydrophobicContact CD1-CD2 3.71Å; I383-F386 HydrophobicContact CD1-CE2 3.44Å; I383-F386 VanDerWaalsContact CD1-CE2 3.44Å; I383-F386 HydrophobicContact CD1-CZ 4.41Å; I383-F386 HydrophobicContact CG1-CD2 4.22Å; I383-F386 HydrophobicContact CG1-CE2 4.39Å; I383-F386 HydrophobicContact CG2-CD2 3.91Å; I383-F386 HydrophobicContact CG2-CE2 4.19Å; I383-F386 HydrophobicContact CG2-CG 4.08Å; I383-F386 WeakPolarHBondContact O-CA 3.2Å; I383-F386 WeakPolarHBondContact O-CB 3.43Å; I383-F386 PolarHBondContact O-N 3.28Å; A384-F386 VanDerWaalsContact C-N 3.3Å; A384-F386 PolarHBondContact O-N 3.39Å; F386-E394 HydrophobicContact CB-CG 4.05Å
387C71.3Confident78.3Confident23 Ų2382.3 Ų82.316%0.15548%0.475CS..SBendtrans-80.6137.1173.3-64.20000110.9I383 A384I383-C387 PolarHBondContact O-N 2.82Å; A384-C387 PolarHBondContact O-N 3.13Å
388S74.6Confident78.3Confident18 Ų1877.3 Ų77.313%0.12645%0.447CS..  trans-62.8153.8163-176.90000108.8R161 D390 E391R161-S388 PolarHBondContact NH1-OG 2.89Å; S388-D390 WeakPolarHBondContact CB-OD1 3.38Å; S388-D390 PolarHBondContact O-N 3.34Å; S388-D390 PolarHBondContact OG-OD1 2.89Å; S388-E391 PolarHBondContact O-N 2.94Å
389S73Confident78.3Confident66 Ų6672.2 Ų72.246%0.46242%0.415SS..THydrogen-bonded Turntrans-61.4-1.617968.30000115.2R161R161-S389 PolarHBondContact NH2-OG 3.33Å
390D76.4Confident78.2Confident57 Ų5772.2 Ų72.231%0.30541%0.41SS..THydrogen-bonded Turntrans-13320.317964.8-31000112.3R118 R161 R162 S388R118-D390 IonicContact CZ-OD2 2.84Å; R118-D390 IonicContact NH1-OD2 3.86Å; R118-D390 IonicContact NH2-OD1 2.75Å; R118-D390 PolarHBondContact NH2-OD1 3.33Å; R118-D390 VanDerWaalsContact NH2-OD1 3.08Å; R118-D390 IonicContact NH2-OD2 3.85Å; R118-D390 PolarHBondContact NH2-OD2 2.89Å; R161-D390 IonicContact CZ-OD1 3.59Å; R161-D390 IonicContact NH1-OD1 2.79Å; R161-D390 PolarHBondContact NH1-OD1 2.78Å; R161-D390 IonicContact NH1-OD2 3.69Å; R161-D390 IonicContact NH2-OD1 3.2Å; R161-D390 IonicContact NH2-OD2 2.68Å; R162-D390 WeakPolarHBondContact CD-OD2 3.27Å; R162-D390 IonicContact CZ-OD2 2.59Å; R162-D390 IonicContact NE-OD2 2.79Å; R162-D390 IonicContact NH1-OD2 3.35Å; R162-D390 PolarHBondContact NH1-OD2 2.93Å; S388-D390 WeakPolarHBondContact CB-OD1 3.38Å; S388-D390 PolarHBondContact O-N 3.34Å; S388-D390 PolarHBondContact OG-OD1 2.89Å
391E79.5Confident78.4Confident57 Ų5773.3 Ų73.327%0.26640%0.401SS..  trans-122.5137.6170.2-70.6176.5171.600108.5R34 R76 S388R34-E391 IonicContact CZ-OE2 3.7Å; R34-E391 IonicContact NH2-OE2 3.99Å; R34-E391 PolarHBondContact NH2-OE2 2.87Å; R76-E391 IonicContact CZ-OE1 3.87Å; R76-E391 IonicContact CZ-OE2 3.39Å; R76-E391 IonicContact NE-OE1 2.83Å; R76-E391 IonicContact NH2-OE1 3.91Å; R76-E391 PolarHBondContact NH2-OE1 2.83Å; R76-E391 IonicContact NH2-OE2 2.69Å; R76-E391 PolarHBondContact NH2-OE2 2.84Å; S388-E391 PolarHBondContact O-N 2.94Å
392E75.1Confident78.7Confident176 Ų17668.2 Ų68.282%0.82237%0.374SS*.SBendtrans-92.8-19.5178.7-66.4175.6179.300112.4P382P382-E392 WeakPolarHBondContact CG-O 3.41Å
393L78.8Confident78.8Confident127 Ų12770.2 Ų70.267%0.66539%0.387SS*.SBendtrans-126.9151.2-174.1-62.1176.5000111.7
394E77Confident78.7Confident68 Ų6874.5 Ų74.532%0.31841%0.409SS..  trans-68.6153.6170.2-62.1-175.2-168.300111.8P382 I383 F386 S396P382-E394 HydrophobicContact CB-CG 4.11Å; I383-E394 VanDerWaalsContact CB-OE1 3.27Å; I383-E394 WeakPolarHBondContact CB-OE1 3.22Å; I383-E394 PolarHBondContact N-OE1 3.47Å; F386-E394 HydrophobicContact CB-CG 4.05Å; E394-S396 PolarHBondContact O-N 2.93Å
395D79.6Confident78.2Confident46 Ų4674.9 Ų74.925%0.24641%0.412CS..  trans-78.6105.6175-174.5-7.5000110R34 W35 K397 A398R34-D395 IonicContact NH1-OD2 3.15Å; W35-D395 HydrophobicContact CZ2-CB 4.35Å; D395-K397 PolarHBondContact O-N 2.95Å; D395-K397 VanDerWaalsContact O-N 3.08Å; D395-K397 PolarHBondContact OD1-N 2.88Å; D395-K397 VanDerWaalsContact OD1-N 3.1Å; D395-A398 WeakPolarHBondContact O-CB 3.25Å; D395-A398 PolarHBondContact O-N 3.32Å
396S81Confident77.8Confident121 Ų12178.2 Ų78.285%0.84643%0.429SS*.THydrogen-bonded Turntrans-63.8-14.1-178.359.40000114.7E394 A398E394-S396 PolarHBondContact O-N 2.93Å; S396-A398 VanDerWaalsContact C-N 3.35Å
397K83.7Confident77Confident156 Ų15685.6 Ų85.668%0.67847%0.465SS*.THydrogen-bonded Turntrans-93.82.7177.6-63.9-178.4-178.5176.90113.2H79 D395 L399H79-K397 PolarHBondContact NE2-O 3.15Å; D395-K397 PolarHBondContact O-N 2.95Å; D395-K397 VanDerWaalsContact O-N 3.08Å; D395-K397 PolarHBondContact OD1-N 2.88Å; D395-K397 VanDerWaalsContact OD1-N 3.1Å; K397-L399 PolarHBondContact O-N 3.39Å
398A85.7Confident76.2Confident22 Ų2290.8 Ų90.818%0.18250%0.495CS..  trans-49.4124.9177.300000114.3W35 D395 S396 L400W35-A398 HydrophobicContact CD2-CB 4.19Å; W35-A398 HydrophobicContact CE3-CB 4.08Å; W35-A398 HydrophobicContact CH2-CB 3Å; W35-A398 HydrophobicContact CZ2-CB 3.05Å; W35-A398 HydrophobicContact CZ3-CB 3.5Å; D395-A398 WeakPolarHBondContact O-CB 3.25Å; D395-A398 PolarHBondContact O-N 3.32Å; S396-A398 VanDerWaalsContact C-N 3.35Å; A398-L400 HydrophobicContact CB-CD2 4.16Å; A398-L400 HydrophobicContact CB-CG 4.14Å; A398-L400 PolarHBondContact O-N 3.11Å; A398-L400 VanDerWaalsContact O-N 3.13Å
399L87.1Confident75.1Confident13 Ų1398.5 Ų98.57%0.06853%0.529CS..  trans-78.293.5163.8-169.165.3000109.6N33 D77 G78 V95 L96 K397 Y401 L402N33-L399 PolarHBondContact ND2-O 2.9Å; D77-L399 WeakPolarHBondContact O-CB 3.46Å; D77-L399 PolarHBondContact O-N 2.54Å; G78-L399 VanDerWaalsContact O-CD2 3.28Å; G78-L399 WeakPolarHBondContact O-CD2 3.33Å; V95-L399 HydrophobicContact CB-CD2 4.24Å; V95-L399 HydrophobicContact CG1-CD2 3.92Å; L96-L399 HydrophobicContact CD2-CD1 3.99Å; L96-L399 HydrophobicContact CD2-CD2 4.32Å; L96-L399 HydrophobicContact CG-CD2 4.48Å; K397-L399 PolarHBondContact O-N 3.39Å; L399-Y401 VanDerWaalsContact CD1-O 3.22Å; L399-Y401 WeakPolarHBondContact CD1-O 3.26Å; L399-L402 HydrophobicContact CD1-CD2 4.36Å; L399-L402 HydrophobicContact CD2-CD2 3.62Å; L399-L402 HydrophobicContact CG-CD2 4.18Å
400L82Confident74.1Confident59 Ų59100.9 Ų100.931%0.30954%0.537SS..  trans-83.2-36176.5-63.6177.9000112.4W35 T37 A398W35-L400 HydrophobicContact CB-CD2 3.9Å; W35-L400 HydrophobicContact CD2-CD2 3.38Å; W35-L400 HydrophobicContact CE3-CD2 3.67Å; W35-L400 HydrophobicContact CG-CD2 3.43Å; W35-L400 VanDerWaalsContact CG-CD2 3.43Å; T37-L400 WeakPolarHBondContact CB-O 3.37Å; T37-L400 PolarHBondContact OG1-O 3.35Å; A398-L400 HydrophobicContact CB-CD2 4.16Å; A398-L400 HydrophobicContact CB-CG 4.14Å; A398-L400 PolarHBondContact O-N 3.11Å; A398-L400 VanDerWaalsContact O-N 3.13Å
401Y84.2Confident73.1Confident157 Ų157103.7 Ų103.762%0.61656%0.558SS**SBendtrans-144.3152.4-17749.5-91.3000110.2L399L399-Y401 VanDerWaalsContact CD1-O 3.22Å; L399-Y401 WeakPolarHBondContact CD1-O 3.26Å
402L85Confident72Confident22 Ų22109.7 Ų109.712%0.11559%0.586CS.*PPolyproline II helixtrans-84.5128.9171.3-57.3-170.3000108.9L38 I50 A59 K60 V95 L96 L399 I404L38-L402 HydrophobicContact CD1-CD2 3.91Å; L38-L402 HydrophobicContact CD1-CG 3.98Å; I50-L402 HydrophobicContact CG2-CD1 4.46Å; A59-L402 HydrophobicContact CB-CD1 3.69Å; A59-L402 HydrophobicContact CB-CG 4.24Å; K60-L402 HydrophobicContact CB-CD1 3.77Å; V95-L402 HydrophobicContact CG1-CD1 4.39Å; V95-L402 HydrophobicContact CG1-CD2 3.66Å; L96-L402 HydrophobicContact CD2-CD2 4.02Å; L399-L402 HydrophobicContact CD1-CD2 4.36Å; L399-L402 HydrophobicContact CD2-CD2 3.62Å; L399-L402 HydrophobicContact CG-CD2 4.18Å; L402-I404 PolarHBondContact O-N 3.27Å
403P80.7Confident70.8Confident94 Ų94109.7 Ų109.761%0.6159%0.586SS**PPolyproline II helixtrans-65.1127.3174.427.6-32.4000109.2L96L96-P403 VanDerWaalsContact CD2-CD 3.48Å; L96-P403 HydrophobicContact CD2-CG 4.02Å
404I72.8Confident69.3Low134 Ų134108.4 Ų108.469%0.68758%0.58SS**PPolyproline II helixtrans-97.9122.5171.6-60.7172.9000106.6L402L402-I404 PolarHBondContact O-N 3.27Å
405A64.3Low68.3Low80 Ų80111 Ų11166%0.66160%0.602SS**PPolyproline II helixtrans-71.4129.616600000107.2E407A405-E407 PolarHBondContact O-N 2.91Å; A405-E407 VanDerWaalsContact O-N 3.12Å
406P65.7Low67Low114 Ų114118.5 Ų118.574%0.7463%0.629SS**PPolyproline II helixtrans-57.7123.1172.923.7-30.9000108.1V408P406-V408 PolarHBondContact O-N 3.23Å
407E59.4Low65.5Low188 Ų188114.9 Ų114.988%0.87961%0.611SS**  trans-63.3110.4169.1-68.2-177.717200106.5A405 E409A405-E407 PolarHBondContact O-N 2.91Å; A405-E407 VanDerWaalsContact O-N 3.12Å; E407-E409 PolarHBondContact O-N 3.4Å
408V55Low63.5Low132 Ų132113.1 Ų113.180%0.862%0.616SS**  trans-76.7102.3167.8-177.50000104.7P406 D410P406-V408 PolarHBondContact O-N 3.23Å; V408-D410 PolarHBondContact O-N 2.81Å
409E50.4Low61.6Low179 Ų179117.5 Ų117.584%0.83664%0.642SS**  trans-56.1114.3166.4-80.5-178.2159.900107.5E407 P411E407-E409 PolarHBondContact O-N 3.4Å; E409-P411 WeakPolarHBondContact O-CD 3.34Å
410D52.7Low59.9Low117 Ų117122.9 Ų122.963%0.62668%0.678SS**  trans-65.1124.1174.6-130.7-27.3000107.2V408 E412 E413V408-D410 PolarHBondContact O-N 2.81Å; D410-E412 PolarHBondContact O-N 2.84Å; D410-E413 PolarHBondContact O-N 3Å; D410-E413 VanDerWaalsContact O-N 3.16Å
411P55.6Low58.1Low115 Ų115127.5 Ų127.575%0.74770%0.703SS**THydrogen-bonded Turntrans-60-5-174-23.732.5000115.5E409E409-P411 WeakPolarHBondContact O-CD 3.34Å
412E56.1Low55.7Low183 Ų183124.8 Ų124.886%0.85571%0.713SS**THydrogen-bonded Turntrans-87.7-11.6-179.6-61.5-165.3166.500113.9D410 N414D410-E412 PolarHBondContact O-N 2.84Å; E412-N414 VanDerWaalsContact C-N 3.29Å; E412-N414 PolarHBondContact O-N 2.83Å
413E51Low53.6Low177 Ų177130.3 Ų130.383%0.82775%0.747SS**  trans-90.252.5171.7-70.8-165.1158.800112D410 P415D410-E413 PolarHBondContact O-N 3Å; D410-E413 VanDerWaalsContact O-N 3.16Å; E413-P415 WeakPolarHBondContact O-CD 3.39Å
414N46.5Very low51.5Low100 Ų100134.2 Ų134.254%0.53576%0.757SS.*  trans-85.8117.1168.5-171.918.4000110E412 Y416 G417E412-N414 VanDerWaalsContact C-N 3.29Å; E412-N414 PolarHBondContact O-N 2.83Å; N414-Y416 PolarHBondContact O-N 2.89Å; N414-Y416 PolarHBondContact OD1-N 2.9Å; N414-G417 PolarHBondContact O-N 2.78Å
415P55.8Low49.5Very low121 Ų121134.8 Ų134.879%0.78677%0.767SS**THydrogen-bonded Turntrans-65-3.2176.9-17.931.5000114.4E413E413-P415 WeakPolarHBondContact O-CD 3.39Å
416Y52.3Low48.2Very low204 Ų204135.8 Ų135.880%0.877%0.769SS**THydrogen-bonded Turntrans-112.317-179-71.1-85000114.3N414N414-Y416 PolarHBondContact O-N 2.89Å; N414-Y416 PolarHBondContact OD1-N 2.9Å
417G49.3Very low46.8Very low46 Ų46137.5 Ų137.547%0.47477%0.772SS.*SBendtrans-66.7142.6170.300000112.3N414N414-G417 PolarHBondContact O-N 2.78Å
418P42.4Very low45.6Very low119 Ų119137 Ų13777%0.77377%0.771SS**PPolyproline II helixtrans-63.8141.1178.528.2-32000109.7
419P45.1Very low44.6Very low113 Ų113137.9 Ų137.973%0.73477%0.771SS**PPolyproline II helixtrans-65.3141.5179.228-32000109.3D421P419-D421 PolarHBondContact O-N 2.71Å
420P50.8Low43.8Very low127 Ų127138.2 Ų138.283%0.82577%0.773SS**PPolyproline II helixtrans-66.8124.1177.426.2-30.2000109.2A422P420-A422 PolarHBondContact O-N 2.72Å
421D45.3Very low42.9Very low155 Ų155136.1 Ų136.183%0.82978%0.779SS**PPolyproline II helixtrans-51.8131.7177.8-91-42.1000111.7P419 V423P419-D421 PolarHBondContact O-N 2.71Å; D421-V423 PolarHBondContact O-N 3.37Å
422A33.7Very low41.9Very low100 Ų100135 Ų13583%0.82678%0.779SS**  trans-64.294.917200000110.1P420P420-A422 PolarHBondContact O-N 2.72Å
423V41.4Very low40.7Very low139 Ų139131.8 Ų131.884%0.84278%0.777SS**PPolyproline II helixtrans-96.9118.5164.2-172.70000109.2D421D421-V423 PolarHBondContact O-N 3.37Å
424Q37Very low40Very low176 Ų176129.1 Ų129.182%0.82278%0.778SS**PPolyproline II helixtrans-54.8141.2-173-69.9162.3-33.400114.4
425T30.6Very low39.3Very low145 Ų145133.7 Ų133.789%0.8980%0.796SS**PPolyproline II helixtrans-61.2122.9157.538.20000112.5
426S37Very low38.3Very low101 Ų101137.4 Ų137.471%0.70680%0.8SS**  trans-155.6101.3146.254.90000108.3
427L35.4Very low37.3Very low151 Ų151137.7 Ų137.779%0.79181%0.805SS**  69.5115.8101.3-78.4169.8000115.2
428M33.7Very low36.4Very low177 Ų177146.9 Ų146.987%0.87283%0.826SS**  trans70137.8151.6-56.4171145.300114
429D35.4Very low35.8Very low150 Ų150150.5 Ų150.580%0.80283%0.832SS**  cis-170.2170.441.6-166.810.2000109.1
430E33.5Very low35.3Very low187 Ų187150.7 Ų150.787%0.87484%0.836SS**  trans-48.9158.7-174.4-59.8-160.8130.300119
431G32.5Very low34.5Very low72 Ų72150 Ų15074%0.74283%0.834SS**  trans156.594.6149.400000118.3
432A34.8Very low33.9Very low92 Ų92147.7 Ų147.776%0.7684%0.837SS**  trans61.9105.9138.300000121.4
433S31.8Very low33.9Very low115 Ų115150.5 Ų150.580%0.80484%0.838SS**  28.3117.3129.663.50000119.8
434S36Very low33.5Very low122 Ų122147.3 Ų147.385%0.85383%0.834SS**  -162.8127.2125.946.50000111.7
435E31.5Very low33.1Very low196 Ų196144.4 Ų144.492%0.91683%0.833SS**  trans-60.2127.5174-65.9174.6118.100111.2
436K35.1Very low33.5Very low198 Ų198145.3 Ų145.386%0.86183%0.827SS**  trans-143.7104.7154.4-104.5175.4-174.7173.30110R438K436-R438 PolarHBondContact O-N 2.82Å
437K30.8Very low33.5Very low211 Ų211145.8 Ų145.892%0.91783%0.828SS**  trans-28.9118157.9-87.7173.1167.6173.40111.5
438R31Very low33.8Very low238 Ų238144.4 Ų144.490%0.89883%0.828SS**  trans-135.1131.7155.8-87.9-172.7171-177.7-3.2109.8K436K436-R438 PolarHBondContact O-N 2.82Å
439Q30.4Very low34.8Very low195 Ų195143.8 Ų143.891%0.91182%0.82SS**  trans-51.4129178.6-74.9148.7-53.100111.1S441Q439-S441 PolarHBondContact O-N 2.76Å
440S34Very low35.7Very low117 Ų117146.4 Ų146.482%0.81882%0.824SS**  trans-75.7115.4163.852.50000108.7
441S34.3Very low37.2Very low112 Ų112146.8 Ų146.878%0.78382%0.823SS**  trans-54.2137.816439.60000110.6Q439 D443Q439-S441 PolarHBondContact O-N 2.76Å; S441-D443 PolarHBondContact O-N 3.41Å
442A31.6Very low39Very low108 Ų108145 Ų14589%0.89380%0.799SS**  trans-65.8117.3172.300000109.1
443D34.5Very low41Very low158 Ų158149.1 Ų149.185%0.84580%0.799SS**  trans-122.7135.6166.2-149.7-5.7000108.7S441 S445S441-D443 PolarHBondContact O-N 3.41Å; D443-S445 PolarHBondContact O-N 3.47Å
444G31.8Very low43.7Very low73 Ų73145.6 Ų145.675%0.75377%0.773SS**  trans-63.499.9-156.600000114.1Q446G444-Q446 PolarHBondContact O-N 2.87Å
445S30.2Very low46.3Very low114 Ų114141.4 Ų141.480%0.79774%0.742SS**  trans-73.3107.316750.10000109.9D443D443-S445 PolarHBondContact O-N 3.47Å
446Q38.5Very low49.2Very low164 Ų164136.9 Ų136.977%0.76672%0.724SS**PPolyproline II helixtrans-57132.1163.8-79-162.4-800108.8G444G444-Q446 PolarHBondContact O-N 2.87Å
447P36.5Very low51.8Low111 Ų111127.9 Ų127.972%0.72169%0.686SS**PPolyproline II helixtrans-62.5144.9177.626-32.1000109.6K449P447-K449 PolarHBondContact O-N 2.95Å
448P41.2Very low54.3Low123 Ų123125.7 Ų125.780%0.79968%0.679SS**PPolyproline II helixtrans-59.4123.2-178.223.4-32.5000110.4K450P448-K450 PolarHBondContact O-N 2.85Å
449K55.2Low56.7Low164 Ų164115.5 Ų115.571%0.71364%0.642SS**  trans-54.3111.1176.8-65.9-171.8178.2-168.70109.8P447 K451P447-K449 PolarHBondContact O-N 2.95Å; K449-K451 PolarHBondContact O-N 3.16Å
450K55Low58.8Low204 Ų204115.6 Ų115.689%0.88764%0.642SS**PPolyproline II helixtrans-63.4121.7174.8-77.3-179.1178.7173.80108.5P448P448-K450 PolarHBondContact O-N 2.85Å
451K64.7Low60.4Low195 Ų195114 Ų11485%0.84864%0.644SS**PPolyproline II helixtrans-61.5133.3174.8-69.2-176.6178.9179.80109.4K449 K453K449-K451 PolarHBondContact O-N 3.16Å; K451-K453 PolarHBondContact O-N 2.81Å
452P70.4Confident62.1Low35 Ų35109.6 Ų109.623%0.22761%0.612CS.*PPolyproline II helixtrans-62.3133.3-179.625.6-35.2000110.7C100 T454C100-P452 HydrophobicContact CB-CB 4.02Å; C100-P452 HydrophobicContact CB-CG 3.84Å; P452-T454 PolarHBondContact O-N 3.4Å
453K77.5Confident63.9Low179 Ų179107 Ų10778%0.77859%0.586SS**PPolyproline II helixtrans-64.1130.2173.5-173.4-179.3177.5-172.80108.3K451K451-K453 PolarHBondContact O-N 2.81Å
454T88.3Confident65Low40 Ų40105.8 Ų105.825%0.24558%0.58CS.*EExtended strand (participates in β ladder)trans-99.1121.3176.9-49.20000109.4R103 R105 P452R103-T454 HydrophobicContact CG-CG2 4.24Å; R103-T454 PolarHBondContact NE-OG1 3.04Å; R103-T454 PolarHBondContact NH2-OG1 2.74Å; R103-T454 CarbonylContact O-C 3.59Å; R103-T454 WeakPolarHBondContact O-CA 3.38Å; R105-T454 HydrophobicContact CB-CG2 4.32Å; P452-T454 PolarHBondContact O-N 3.4Å
455T90.5Very high66.8Low35 Ų35110 Ų11022%0.21559%0.586CS.*EExtended strand (participates in β ladder)trans-97.8122.8174.1-57.20000108.2R103 F104 R105R103-T455 PolarHBondContact O-N 2.77Å; F104-T455 CarbonylContact C-O 3.59Å; F104-T455 VanDerWaalsContact CA-O 3.25Å; F104-T455 WeakPolarHBondContact CA-O 3.13Å; F104-T455 HydrophobicContact CD1-CG2 4.19Å; F104-T455 HydrophobicContact CE1-CG2 4.29Å; R105-T455 PolarHBondContact N-O 3.12Å
456N91.3Very high69Low100 Ų100106.3 Ų106.354%0.53556%0.555SS.*EExtended strand (participates in β ladder)trans-83.9130.2172.7-62.7-36000108.2R105R105-N456 PolarHBondContact NH1-OD1 3.07Å
457I89.3Confident70.9Confident9 Ų9102.6 Ų102.65%0.04654%0.544CS..PPolyproline II helixtrans-91.4128.7173.5-58-61.3000107.9F104 R105 F106 P107 L135 H142 L459F104-I457 HydrophobicContact CB-CG1 4.35Å; F104-I457 HydrophobicContact CD1-CD1 3.97Å; F104-I457 HydrophobicContact CD1-CG1 4.38Å; R105-I457 PolarHBondContact O-N 3.41Å; F106-I457 HydrophobicContact CD1-CB 4.07Å; F106-I457 HydrophobicContact CD1-CG1 4.42Å; F106-I457 HydrophobicContact CD1-CG2 4.02Å; F106-I457 HydrophobicContact CD2-CG1 4.36Å; F106-I457 HydrophobicContact CE1-CB 4.06Å; F106-I457 HydrophobicContact CE1-CG1 4.08Å; F106-I457 HydrophobicContact CE1-CG2 3.77Å; F106-I457 HydrophobicContact CE2-CG1 4Å; F106-I457 HydrophobicContact CG-CB 4.38Å; F106-I457 HydrophobicContact CZ-CB 4.35Å; F106-I457 HydrophobicContact CZ-CG1 3.85Å; F106-I457 HydrophobicContact CZ-CG2 4.36Å; P107-I457 WeakPolarHBondContact CD-O 3.45Å; L135-I457 HydrophobicContact CD2-CD1 3.73Å; L135-I457 HydrophobicContact CD2-CG1 4.24Å; H142-I457 HydrophobicContact CB-CD1 4.47Å; I457-L459 HydrophobicContact CG2-CD2 3.98Å; I457-L459 HydrophobicContact CG2-CG 4.12Å
458E83.9Confident73.1Confident166 Ų16697.8 Ų97.878%0.77651%0.512SS*.PPolyproline II helixtrans-100120.5177.8-65.7-179-177.600109.1
459L81.7Confident75Confident24 Ų2495.8 Ų95.813%0.12650%0.499CS..  trans-120135.7176.5-59.2176.8000109F106 P107 P127 V133 V144 I457 V462F106-L459 HydrophobicContact CD1-CD1 4Å; P107-L459 HydrophobicContact CG-CB 3.9Å; P107-L459 HydrophobicContact CG-CD1 4.04Å; P107-L459 HydrophobicContact CG-CG 4.08Å; P127-L459 HydrophobicContact CG-CD1 4.31Å; V133-L459 HydrophobicContact CG2-CD1 4.19Å; V133-L459 HydrophobicContact CG2-CD2 3.78Å; V144-L459 HydrophobicContact CG2-CD2 3.87Å; I457-L459 HydrophobicContact CG2-CD2 3.98Å; I457-L459 HydrophobicContact CG2-CG 4.12Å; L459-V462 HydrophobicContact CB-CG2 3.61Å; L459-V462 HydrophobicContact CD1-CG2 4.48Å
460Q73.6Confident76.1Confident196 Ų19691.8 Ų91.892%0.91649%0.485SS*.THydrogen-bonded Turntrans-77.9142-179.1-62.7-176.95.200110.9V462Q460-V462 VanDerWaalsContact C-N 3.32Å; Q460-V462 PolarHBondContact O-N 3.21Å
461G68.7Low77.1Confident83 Ų8385.5 Ų85.586%0.85646%0.461SS*.THydrogen-bonded Turntrans75.88170.200000116.6
462V70.7Confident76.7Confident20 Ų2078.9 Ų78.912%0.12145%0.448CS..PPolyproline II helixtrans-74.9128.5-178.7-179.30000110.9P107 L459 Q460 N464P107-V462 HydrophobicContact CB-CB 4.4Å; P107-V462 HydrophobicContact CB-CG1 4.14Å; P107-V462 HydrophobicContact CG-CB 4.25Å; P107-V462 HydrophobicContact CG-CG1 4.2Å; P107-V462 HydrophobicContact CG-CG2 4.09Å; L459-V462 HydrophobicContact CB-CG2 3.61Å; L459-V462 HydrophobicContact CD1-CG2 4.48Å; Q460-V462 VanDerWaalsContact C-N 3.32Å; Q460-V462 PolarHBondContact O-N 3.21Å; V462-N464 PolarHBondContact O-N 3.07Å
463P67.3Low75.2Confident53 Ų5383 Ų8334%0.34447%0.471SS..PPolyproline II helixtrans-62.2127.4171.3-20.132.4000111E466P463-E466 HydrophobicContact CB-CG 4.27Å
464N59.6Low72.9Confident134 Ų13483.9 Ų83.972%0.71748%0.475SS*.THydrogen-bonded Turntrans-73.7144.6168-66-30.8000109V462V462-N464 PolarHBondContact O-N 3.07Å
465D68.9Low70.1Confident162 Ų16285.3 Ų85.387%0.86650%0.498SS*.THydrogen-bonded Turntrans88.424.6177-51.9-28.9000118.1
466E75.8Confident67.2Low35 Ų3591 Ų9116%0.16453%0.528CS..PPolyproline II helixtrans-79.5133.4173.7-55.2-133.8159.900112.8P109 K129 P463P109-E466 HydrophobicContact CG-CB 3.97Å; P109-E466 WeakPolarHBondContact CG-O 3.24Å; K129-E466 WeakPolarHBondContact CD-OE1 3.29Å; K129-E466 VanDerWaalsContact CD-OE2 3.25Å; K129-E466 WeakPolarHBondContact CD-OE2 3.44Å; K129-E466 VanDerWaalsContact CE-CD 3.42Å; K129-E466 WeakPolarHBondContact CE-OE1 3.3Å; K129-E466 WeakPolarHBondContact CE-OE2 3.36Å; K129-E466 VanDerWaalsContact CG-OE2 3.26Å; K129-E466 WeakPolarHBondContact CG-OE2 3.45Å; K129-E466 IonicContact NZ-OE1 3.36Å; K129-E466 PolarHBondContact NZ-OE1 3.44Å; K129-E466 IonicContact NZ-OE2 2.71Å; K129-E466 PolarHBondContact NZ-OE2 3.49Å; K129-E466 VanDerWaalsContact NZ-OE2 3.13Å; P463-E466 HydrophobicContact CB-CG 4.27Å
467V79.4Confident64.3Low86 Ų8689.9 Ų89.952%0.52154%0.539SS..PPolyproline II helixtrans-103132.6177.4-1800000109.5L471V467-L471 HydrophobicContact CG1-CB 3.74Å; V467-L471 HydrophobicContact CG1-CD1 4.13Å
468H82.6Confident61.6Low11 Ų1198.9 Ų98.95%0.05158%0.578CS.*PPolyproline II helixtrans-58.8138178-168.3-88.9000111.7T86 P109 I110 L470 L471T86-H468 HydrophobicContact CG2-CB 3.96Å; P109-H468 HydrophobicContact CB-CB 3.99Å; I110-H468 PolarHBondContact O-CD2 2.81Å; I110-H468 PolarHBondContact O-NE2 3.5Å; H468-L470 VanDerWaalsContact CE1-CD1 3.5Å; H468-L470 WeakPolarHBondContact CE1-CD1 3.41Å; H468-L470 WeakPolarHBondContact ND1-CB 3.14Å; H468-L470 PolarHBondContact ND1-N 3.16Å; H468-L470 PolarHBondContact O-N 3.24Å; H468-L471 WeakPolarHBondContact O-CB 3.21Å; H468-L471 PolarHBondContact O-N 3.26Å
469P80Confident59.3Low80 Ų8095.9 Ų95.952%0.51958%0.576SS.*G310 helixtrans-55.6-28.8-176.2-29.833000115.1M128 L471 G472M128-P469 HydrophobicContact CE-CG 3.81Å; M128-P469 WeakPolarHBondContact SD-CD 3.23Å; M128-P469 HydrophobicContact SD-CG 3.69Å; P469-L471 PolarHBondContact O-N 2.74Å; P469-G472 PolarHBondContact O-N 2.75Å
470L79.3Confident57.1Low80 Ų80104.9 Ų104.942%0.41961%0.614SS.*G310 helixtrans-65.8-24.5176.4-68173.4000113.3C70 T86 H468 G472C70-L470 HydrophobicContact CB-CD1 3.51Å; T86-L470 HydrophobicContact CG2-CB 4.34Å; T86-L470 HydrophobicContact CG2-CD1 4.29Å; H468-L470 VanDerWaalsContact CE1-CD1 3.5Å; H468-L470 WeakPolarHBondContact CE1-CD1 3.41Å; H468-L470 WeakPolarHBondContact ND1-CB 3.14Å; H468-L470 PolarHBondContact ND1-N 3.16Å; H468-L470 PolarHBondContact O-N 3.24Å; L470-G472 PolarHBondContact O-N 3.4Å
471L75.6Confident55.3Low73 Ų73104.7 Ų104.738%0.38261%0.61SS.*G310 helixtrans-87.112179.5-59.8178.2000112.9P68 T86 V467 H468 P469 V473P68-L471 HydrophobicContact CG-CD2 4.21Å; T86-L471 HydrophobicContact CG2-CG 4.44Å; V467-L471 HydrophobicContact CG1-CB 3.74Å; V467-L471 HydrophobicContact CG1-CD1 4.13Å; H468-L471 WeakPolarHBondContact O-CB 3.21Å; H468-L471 PolarHBondContact O-N 3.26Å; P469-L471 PolarHBondContact O-N 2.74Å; L471-V473 PolarHBondContact O-N 3.42Å
472G56.3Low53.8Low56 Ų56110.2 Ų110.258%0.57761%0.61SS**  trans-18.1113-173.900000116.2P469 L470 K474P469-G472 PolarHBondContact O-N 2.75Å; L470-G472 PolarHBondContact O-N 3.4Å; G472-K474 PolarHBondContact O-N 3.4Å
473V38.3Very low52.1Low120 Ų120118.5 Ų118.573%0.72765%0.648SS**  trans-56.8110176.6-176.70000109.3L471 G475L471-V473 PolarHBondContact O-N 3.42Å; V473-G475 PolarHBondContact O-N 3.25Å
474K30.4Very low50.7Low198 Ų198120.7 Ų120.786%0.86167%0.67SS**  trans-56106156.4-88.3-179.3175.81730106.3G472 D476G472-K474 PolarHBondContact O-N 3.4Å; K474-D476 PolarHBondContact O-N 3.27Å
475G29.3Very low49.6Very low70 Ų70118.2 Ų118.272%0.72268%0.676SS**  trans-60101.3176.700000110.1V473 G477V473-G475 PolarHBondContact O-N 3.25Å; G475-G477 VanDerWaalsContact C-N 3.28Å; G475-G477 PolarHBondContact O-N 3.03Å
476D29.9Very low47.9Very low156 Ų156122.3 Ų122.383%0.83468%0.68SS**  trans-67.296.5155.8-88-22.2000107.2K474 K478K474-D476 PolarHBondContact O-N 3.27Å; D476-K478 PolarHBondContact O-N 3.17Å
477G29.6Very low46.1Very low76 Ų76125.7 Ų125.778%0.78470%0.704SS**  trans-6375.8166.700000110.9G475 S479G475-G477 VanDerWaalsContact C-N 3.28Å; G475-G477 PolarHBondContact O-N 3.03Å; G477-S479 PolarHBondContact O-N 3.22Å
478K32.9Very low43.9Very low198 Ų198131.7 Ų131.786%0.86172%0.724SS**  trans-74.684.6156.3-90.8-176.8179.81710108.3D476 K480D476-K478 PolarHBondContact O-N 3.17Å; K478-K480 PolarHBondContact O-N 2.97Å
479S35Very low41.7Very low103 Ų103134.9 Ų134.972%0.7276%0.759SS**  trans-35.8117.6161.645.70000112.1G477 K481G477-S479 PolarHBondContact O-N 3.22Å; S479-K481 VanDerWaalsContact C-N 3.29Å; S479-K481 PolarHBondContact O-N 3.02Å
480K36.3Very low39.8Very low213 Ų213136.5 Ų136.593%0.92677%0.772SS**  trans-62.292.7158.8-92.5179.2174170.40107.9K478 K482K478-K480 PolarHBondContact O-N 2.97Å; K480-K482 PolarHBondContact O-N 3.35Å; K480-K482 VanDerWaalsContact O-N 3.08Å
481K34.6Very low37.8Very low192 Ų192142.9 Ų142.984%0.83580%0.797SS**  trans-77.589.7170.9-149.6174.4-170.51750108.5S479 Q483S479-K481 VanDerWaalsContact C-N 3.29Å; S479-K481 PolarHBondContact O-N 3.02Å; K481-Q483 PolarHBondContact O-N 3.46Å
482K37.5Very low35.9Very low199 Ų199143.2 Ų143.287%0.86582%0.818SS**  trans-66.6114159-93.7-176.6172.9-179.90107.5K480 A484K480-K482 PolarHBondContact O-N 3.35Å; K480-K482 VanDerWaalsContact O-N 3.08Å; K482-A484 PolarHBondContact O-N 3.27Å
483Q34.7Very low35Very low194 Ų194150.6 Ų150.691%0.90783%0.834SS**  trans-68.6114166.7-87.3177.4-13.600109.1K481K481-Q483 PolarHBondContact O-N 3.46Å
484A39.8Very low35Very low99 Ų99153.2 Ų153.282%0.81884%0.839SS**  trans-147.4117.8152.600000106.7K482K482-A484 PolarHBondContact O-N 3.27Å
485G35.7Very low35.5Very low82 Ų82153.2 Ų153.285%0.84584%0.839SS**  trans-82.9158.6-167.600000114.7
486R33.4Very low35.7Very low248 Ų248157.6 Ų157.694%0.93685%0.845SS**  trans-170.9147.4130.2-156.6160.7177.2-175.6-2109.7
487P37.1Very low36.2Very low105 Ų105155.4 Ų155.468%0.68284%0.842SS**  trans-110.2159-156.938.6-29.3000116.6
488K34Very low36.6Very low213 Ų213157.5 Ų157.593%0.92684%0.842SS**  trans70.1130140.2-77.1-176.6-180-175.20122.6
489G35.7Very low36.6Very low77 Ų77158 Ų15879%0.79485%0.845SS**  trans116134.6150.600000113.2
490S40.5Very low36.7Very low114 Ų114162.1 Ų162.180%0.79785%0.85SS**  cis-173.8138.1-14.648.30000107.7
491K37Very low36.9Very low214 Ų214158.1 Ų158.193%0.9385%0.846SS**  trans48.2121.2153.6-67.3-174.3175.9178.60121.1
492G36.8Very low36.9Very low81 Ų81158.8 Ų158.884%0.83585%0.848SS**  trans-169.2128.6154.900000110.8
493K37.1Very low36.5Very low210 Ų210156.9 Ų156.991%0.91385%0.847SS**  trans-80.5148-169.4-66.2171.9168.8178.60113.3
494E38.5Very low36.4Very low176 Ų176158.2 Ų158.282%0.82285%0.845SS**  trans-171.8112.8143.4-106.9173.8-179.200109
495K40.3Very low35.8Very low197 Ų197162.7 Ų162.786%0.85785%0.846SS**  83.812595.1-88.8-171.6176.41770114.9
496D34.5Very low35.7Very low162 Ų162162.3 Ų162.387%0.86684%0.842SS**  trans-63.6143.5-171.8-62.5-68.8000116.2
497S38.9Very low35.5Very low110 Ų110157.9 Ų157.977%0.76984%0.837SS**  -176.7138115.9640000110.8
498P38.3Very low35.5Very low121 Ų121164.5 Ų164.579%0.78685%0.848SS**  trans-112.6120.416933.7-21.1000111.1
499F33.7Very low35.2Very low209 Ų209157.4 Ų157.492%0.91784%0.836SS**  trans-101.8113.3165.7-118.2-91.8000109.9
500K35.9Very low35.1Very low188 Ų188162 Ų16282%0.81784%0.841SS**PPolyproline II helixtrans-102.8134.6163.1-75.2-175.3176.2-178.40108.1
501P42Very low34.7Very low130 Ų130162.1 Ų162.184%0.84484%0.839SS**PPolyproline II helixtrans-76.6133.1167.7-4.922.1000110.2
502K34.5Very low34.3Very low205 Ų205159.8 Ų159.889%0.89184%0.836SS**PPolyproline II helixtrans-79.5138.7174.8-77.7-178.2174.9176.90110.9
503L28.4Very low33.9Very low160 Ų160165.2 Ų165.284%0.83884%0.84SS**PPolyproline II helixtrans-59.5134.3159.2-110.178.5000109.8
504Y31.8Very low33.7Very low222 Ų222159 Ų15987%0.87184%0.835SS**  trans-107.7111.4163.1-133.6-97.4000108.6
505K28.5Very low33.2Very low193 Ų193156.6 Ų156.684%0.83984%0.838SS**  trans-92.5122.1157-85.1-172.5172.7-172.50106.2
506G33.6Very low33Very low73 Ų73152 Ų15275%0.75384%0.836SS**  trans-124.594.5171.600000108.8
507D29.3Very low32.9Very low155 Ų155154.7 Ų154.783%0.82984%0.84SS**  trans-89.5129.6167.8-163.26.9000106.9
508R36.6Very low32.6Very low244 Ų244153.1 Ų153.192%0.92184%0.841SS**  trans-179.8102.6159.8-102.5170.3-156.7-150.95.2109.6
509G27.6Very low32.4Very low64 Ų64157.2 Ų157.266%0.6685%0.847SS**  trans-73.5166.2157.500000111.8
510L34.3Very low32.3Very low174 Ų174154.2 Ų154.291%0.91185%0.845SS**  trans173.2160.7139.1-91.2169.7000108.9
511P30.8Very low32.2Very low117 Ų117153.9 Ų153.976%0.7685%0.847SS**  -115.8-178-123.241.9-31.8000115.1
512L29.3Very low31.7Very low164 Ų164152.3 Ų152.386%0.85984%0.844SS**  trans-54.8159.4176.8-74.7152.2000116.3
513E28.5Very low31.7Very low196 Ų196151.1 Ų151.192%0.91684%0.842SS**  trans85.7124.3162-66.6-166150.100120.1
514G32.1Very low31.9Very low78 Ų78152 Ų15280%0.80485%0.846SS**  trans167.486.8169.100000112.7
515S28.7Very low32.1Very low127 Ų127147 Ų14789%0.88884%0.844SS**  trans-53.4138171.465.70000112.7
516A36.1Very low32.5Very low99 Ų99146.3 Ų146.382%0.81884%0.844SS**  trans-147.8116.9159.800000111.7
517K31Very low33Very low219 Ų219148.9 Ų148.995%0.95285%0.848SS**  trans-61.7124.1166.5-69.5175.5172.5178.50109.6
518G34Very low33.5Very low77 Ų77149.8 Ų149.879%0.79485%0.851SS**  trans-105.2112.6169.100000110.9
519K33.1Very low33.3Very low207 Ų207144.7 Ų144.790%0.985%0.847SS**  trans-70.1136167.4-83177.6169-178.50109.5
520V32.8Very low33.9Very low147 Ų147146.6 Ų146.689%0.89186%0.857SS**  trans-78.1124.6164.8-1800000108.2
521Q32.9Very low33.9Very low181 Ų181142.5 Ų142.585%0.84686%0.857SS**  trans-131113.3167-159.8167.812.800106.4
522A32.6Very low34.3Very low96 Ų96140.7 Ų140.779%0.79386%0.859SS**  trans-76.4123.3174.700000108.9
523E33.7Very low34.8Very low181 Ų181137.5 Ų137.585%0.84686%0.857SS**  trans-115.7118.7164-83.3-168.5136.100109.3
524L32.1Very low35.6Very low177 Ų177136.6 Ų136.693%0.92786%0.857SS**  trans-57.6130.7164.3-11779.9000109.4
525S37.3Very low35.9Very low118 Ų118137.5 Ų137.583%0.82585%0.85SS**  trans-128.6122.5160.850.90000110.4
526Q37.3Very low36.6Very low179 Ų179139.4 Ų139.484%0.83685%0.845SS**PPolyproline II helixtrans-69.5150.3178.6-68170.7-19.200111.7
527P43.8Very low36.9Very low127 Ų127142.2 Ų142.283%0.82585%0.845SS**PPolyproline II helixtrans-83.7131.5165.331.3-27.9000111.3
528L38.5Very low37.7Very low173 Ų173143.3 Ų143.391%0.90686%0.861SS**PPolyproline II helixtrans-72.7129174.1-82.9156.2000111.3
529T32.9Very low37.9Very low137 Ų137146.7 Ų146.784%0.8486%0.864SS**PPolyproline II helixtrans-69.4131.5166.652.70000111.4
530A40.9Very low38.1Very low104 Ų104143.5 Ų143.586%0.8686%0.862SS**  trans-142.6117157.500000109.5
531G33.4Very low38.4Very low88 Ų88143.3 Ų143.391%0.90786%0.861SS**  trans-74.6159.7-17300000115.3
532G40.3Very low38.7Very low79 Ų79141.1 Ų141.181%0.81486%0.861SS**  trans-155.1114.2167.400000108.5
533A38.6Very low39.1Very low97 Ų97143.9 Ų143.980%0.80287%0.866SS**  trans-58.5154.8-173.400000114.7
534I45.7Very low39.5Very low178 Ų178141.4 Ų141.491%0.91387%0.867SS**  trans-157.6142.7130.7-90.5142000108.2
535S38.6Very low40Very low96 Ų96138.9 Ų138.967%0.67186%0.863SS**  trans-99.1170.4-162.2176.60000113.1
536E43.1Very low40.2Very low168 Ų168140.5 Ų140.579%0.78587%0.866SS**  trans95.1100.5160.3-58-161.2152.900116.1
537L43.4Very low40.4Very low157 Ų157137.3 Ų137.382%0.82287%0.868SS**  80.877.177.6-81.1166.6000113.4
538L46.2Very low40.1Very low243 Ų243138.2 Ų138.2100%1.27287%0.872SS**  1790119.3-104.4160.2000109.7

Retrieved 538 of 538 residues in 911.6 ms (Link to these results)

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