A0A096LS17_POEFO Loading...

EGF-like domain-containing protein

AlphaFold DB , UniProt , Accession A0A096LS17, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 166 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
1A71.9Confident86.5Confident96 Ų9669.9 Ų69.979%0.79345%0.45SS*.  0142.5000000108.9C13 L14A1-C13 WeakPolarHBondContact CB-O 3.02Å; A1-L14 VanDerWaalsContact CB-O 3.24Å; A1-L14 WeakPolarHBondContact CB-O 3.25Å
2S86.1Confident87Confident76 Ų7671.6 Ų71.653%0.53146%0.459SS..  trans-119.6131.9179.2-176.50000110.2R16 N17S2-R16 VanDerWaalsContact O-CA 3.32Å; S2-R16 WeakPolarHBondContact O-CA 3.36Å; S2-N17 PolarHBondContact O-N 3.23Å
3C87.6Confident87.4Confident14 Ų1468.8 Ų68.810%0.09544%0.442CS..  trans-123.6117.6177.1-70.20000107.8P5 C13 A15C3-P5 CarbonylContact O-C 3.49Å; C3-C13 HydrophobicContact CB-CB 3.88Å; C3-C13 WeakPolarHBondContact CB-SG 3.02Å; C3-C13 PolarHBondContact N-SG 3.39Å; C3-C13 WeakPolarHBondContact SG-CB 3.36Å; C3-C13 CovalentContact SG-SG 2.04Å; C3-C13 PolarHBondContact SG-SG 2.82Å; C3-A15 PolarHBondContact SG-O 2.81Å
4E89.5Confident87.6Confident156 Ų15671.9 Ų71.973%0.72945%0.452SS*.SBendtrans-125.8115.4176.7-83-179.2170.700109.6N17E4-N17 PolarHBondContact N-OD1 3.26Å; E4-N17 PolarHBondContact O-OD1 3.16Å
5P88.3Confident87.5Confident73 Ų7370 Ų7047%0.47445%0.446SS..SBendcis-79161.70.24.313.5000112.4C3 R29C3-P5 CarbonylContact O-C 3.49Å; P5-R29 VanDerWaalsContact CB-CZ 3.5Å; P5-R29 PolarHBondContact O-NE 3.07Å; P5-R29 VanDerWaalsContact O-NE 3.12Å
6P89.8Confident87.5Confident90 Ų9079.4 Ų79.458%0.58447%0.47SS*.PPolyproline II helixtrans-62.9155.5-168.224.8-34.6000113.3R29P6-R29 PolarHBondContact O-NE 2.99Å; P6-R29 PolarHBondContact O-NH2 3.06Å
7C91.2Very high87.3Confident23 Ų2380.2 Ų80.216%0.15547%0.472CS..PPolyproline II helixtrans-62.5138.3171.9-49.20000110.1G11 C19C7-G11 WeakPolarHBondContact CB-O 3.36Å; C7-C19 VanDerWaalsContact CA-SG 3.55Å; C7-C19 HydrophobicContact CB-CB 3.81Å; C7-C19 WeakPolarHBondContact CB-SG 3.48Å; C7-C19 VanDerWaalsContact SG-CA 3.6Å; C7-C19 WeakPolarHBondContact SG-CB 3.29Å; C7-C19 CovalentContact SG-SG 2.03Å; C7-C19 PolarHBondContact SG-SG 3.1Å
8Q89.9Confident87.4Confident77 Ų7781.3 Ų81.336%0.3648%0.475SS..SBendtrans-92.8167.9-179.7-59.6-163.822.900112.1G10 G11 R29 C30Q8-G10 VanDerWaalsContact C-N 3.29Å; Q8-G10 PolarHBondContact O-N 2.78Å; Q8-G10 VanDerWaalsContact O-N 3.12Å; Q8-G11 PolarHBondContact O-N 2.77Å; Q8-R29 WeakPolarHBondContact CB-O 3.23Å; Q8-R29 PolarHBondContact N-O 3.39Å; Q8-C30 WeakPolarHBondContact O-CB 3.48Å
9H86.9Confident87.6Confident81 Ų8178 Ų7838%0.37546%0.456SS..THydrogen-bonded Turntrans49.840.9170.1-52.3117.2000115.5G11 Y25 C30H9-G11 VanDerWaalsContact C-N 3.34Å; H9-Y25 HydrophobicContact CB-CD1 3.37Å; H9-Y25 HydrophobicContact CB-CD2 4.06Å; H9-Y25 HydrophobicContact CB-CE1 3.29Å; H9-Y25 HydrophobicContact CB-CE2 4Å; H9-Y25 HydrophobicContact CB-CG 3.75Å; H9-Y25 AromaticContact CD2-CE1 3.63Å; H9-Y25 AromaticContact CG-CD1 3.45Å; H9-Y25 VanDerWaalsContact CG-CD1 3.45Å; H9-Y25 AromaticContact CG-CE1 3.21Å; H9-Y25 AromaticContact CG-CZ 3.94Å; H9-Y25 AromaticContact ND1-CD1 3.43Å; H9-Y25 WeakPolarHBondContact ND1-CD1 3.01Å; H9-Y25 AromaticContact ND1-CE1 3.55Å; H9-C30 PolarHBondContact ND1-O 3.16Å
10G82.4Confident87.7Confident67 Ų6777.3 Ų77.369%0.69145%0.453SS*.THydrogen-bonded Turntrans77.315.9178.500000114.7Q8Q8-G10 VanDerWaalsContact C-N 3.29Å; Q8-G10 PolarHBondContact O-N 2.78Å; Q8-G10 VanDerWaalsContact O-N 3.12Å
11G88.3Confident87.7Confident16 Ų1675.8 Ų75.817%0.16545%0.446CS..  trans-67143.5171.700000112.9C7 Q8 H9 T20C7-G11 WeakPolarHBondContact CB-O 3.36Å; Q8-G11 PolarHBondContact O-N 2.77Å; H9-G11 VanDerWaalsContact C-N 3.34Å; G11-T20 CarbonylContact C-O 3.39Å; G11-T20 WeakPolarHBondContact CA-O 3.22Å
12T92.1Very high88.2Confident90 Ų9073.2 Ų73.255%0.55243%0.425SS*.EExtended strand (participates in β ladder)trans-103.6132.5-179.8-55.60000110.9L14 T20T12-L14 PolarHBondContact O-N 3.23Å; T12-T20 PolarHBondContact N-O 3.28Å; T12-T20 PolarHBondContact O-N 3.44Å; T12-T20 PolarHBondContact O-OG1 2.94Å
13C92.8Very high87.7Confident36 Ų3680 Ų8024%0.24344%0.44CS..EExtended strand (participates in β ladder)trans-82.1115.2177.6-172.90000110.7A1 C3 A15A1-C13 WeakPolarHBondContact CB-O 3.02Å; C3-C13 HydrophobicContact CB-CB 3.88Å; C3-C13 WeakPolarHBondContact CB-SG 3.02Å; C3-C13 PolarHBondContact N-SG 3.39Å; C3-C13 WeakPolarHBondContact SG-CB 3.36Å; C3-C13 CovalentContact SG-SG 2.04Å; C3-C13 PolarHBondContact SG-SG 2.82Å; C13-A15 PolarHBondContact SG-O 2.04Å
14L90.2Very high87Confident112 Ų11280 Ų8059%0.58644%0.443SS*.EExtended strand (participates in β ladder)trans-96.7-35.1-178.6-96.3149.3000113.4A1 T12 L18 T20A1-L14 VanDerWaalsContact CB-O 3.24Å; A1-L14 WeakPolarHBondContact CB-O 3.25Å; T12-L14 PolarHBondContact O-N 3.23Å; L14-L18 PolarHBondContact N-O 3.24Å; L14-T20 HydrophobicContact CD1-CG2 3.15Å; L14-T20 WeakPolarHBondContact CD1-OG1 3.37Å
15A85.6Confident86.7Confident43 Ų4376 Ų7636%0.35542%0.422SS..EExtended strand (participates in β ladder)trans-147.4-178.817700000110C3 C13 N17 L18C3-A15 PolarHBondContact SG-O 2.81Å; C13-A15 PolarHBondContact SG-O 2.04Å; A15-N17 PolarHBondContact O-N 3.48Å; A15-L18 HydrophobicContact CB-CB 3.99Å; A15-L18 HydrophobicContact CB-CD2 4.12Å; A15-L18 PolarHBondContact O-N 3.14Å
16R87.6Confident86.4Confident220 Ų22074.5 Ų74.583%0.8341%0.411SS*.THydrogen-bonded Turntrans-56.5113.2-179.7-171.4178.2-178.3-175.30.5110.4S2 L18S2-R16 VanDerWaalsContact O-CA 3.32Å; S2-R16 WeakPolarHBondContact O-CA 3.36Å; R16-L18 PolarHBondContact O-N 3.18Å
17N83.9Confident86.1Confident94 Ų9471.6 Ų71.650%0.50340%0.397SS..THydrogen-bonded Turntrans55.328.2-177-61.9-21.5000115S2 E4 A15S2-N17 PolarHBondContact O-N 3.23Å; E4-N17 PolarHBondContact N-OD1 3.26Å; E4-N17 PolarHBondContact O-OD1 3.16Å; A15-N17 PolarHBondContact O-N 3.48Å
18L88.8Confident85.8Confident100 Ų10075 Ų7552%0.52442%0.419SS..EExtended strand (participates in β ladder)trans-114.5103.9174.6-17764.5000110L14 A15 R16L14-L18 PolarHBondContact N-O 3.24Å; A15-L18 HydrophobicContact CB-CB 3.99Å; A15-L18 HydrophobicContact CB-CD2 4.12Å; A15-L18 PolarHBondContact O-N 3.14Å; R16-L18 PolarHBondContact O-N 3.18Å
19C90.8Very high85.8Confident18 Ų1874.7 Ų74.712%0.12241%0.414CS..EExtended strand (participates in β ladder)trans-93.1138.7177-64.10000111.5C7 P28C7-C19 VanDerWaalsContact CA-SG 3.55Å; C7-C19 HydrophobicContact CB-CB 3.81Å; C7-C19 WeakPolarHBondContact CB-SG 3.48Å; C7-C19 VanDerWaalsContact SG-CA 3.6Å; C7-C19 WeakPolarHBondContact SG-CB 3.29Å; C7-C19 CovalentContact SG-SG 2.03Å; C7-C19 PolarHBondContact SG-SG 3.1Å; C19-P28 WeakPolarHBondContact CB-O 3.41Å; C19-P28 PolarHBondContact SG-O 3.42Å
20T91.2Very high85.8Confident63 Ų6370.9 Ų70.939%0.38740%0.397SS..EExtended strand (participates in β ladder)trans-101.7126.3160.638.70000109.6G11 T12 L14G11-T20 CarbonylContact C-O 3.39Å; G11-T20 WeakPolarHBondContact CA-O 3.22Å; T12-T20 PolarHBondContact N-O 3.28Å; T12-T20 PolarHBondContact O-N 3.44Å; T12-T20 PolarHBondContact O-OG1 2.94Å; L14-T20 HydrophobicContact CD1-CG2 3.15Å; L14-T20 WeakPolarHBondContact CD1-OG1 3.37Å
21C86.9Confident86Confident46 Ų4671 Ų7131%0.31138%0.379SS..PPolyproline II helixtrans-94.1145.5-173.5-53.70000112Y25 C30C21-Y25 WeakPolarHBondContact CB-O 3.44Å; C21-C30 WeakPolarHBondContact CA-SG 3.38Å; C21-C30 HydrophobicContact CB-CB 3.67Å; C21-C30 WeakPolarHBondContact CB-SG 3.43Å; C21-C30 WeakPolarHBondContact SG-CA 3.05Å; C21-C30 WeakPolarHBondContact SG-CB 3.12Å; C21-C30 CovalentContact SG-SG 2.03Å; C21-C30 PolarHBondContact SG-SG 2.8Å
22A81.7Confident85.7Confident42 Ų4272.9 Ų72.935%0.34739%0.385SS..PPolyproline II helixtrans-63.5157.2167.900000110.7G24 Y25A22-G24 PolarHBondContact O-N 3.38Å; A22-Y25 HydrophobicContact CB-CD2 4.23Å; A22-Y25 PolarHBondContact O-N 2.97Å; A22-Y25 VanDerWaalsContact O-N 3.07Å
23Y75.8Confident85Confident219 Ų21972.5 Ų72.586%0.85938%0.379SS*.THydrogen-bonded Turntrans-55.1129.8178.1-178.3-92.9000110.9
24G74.2Confident84.4Confident14 Ų1470.9 Ų70.914%0.14437%0.368CS..THydrogen-bonded Turntrans914.7-176.900000115A22 A34A22-G24 PolarHBondContact O-N 3.38Å; G24-A34 WeakPolarHBondContact CA-O 3.46Å; G24-A34 CarbonylContact O-C 3.3Å; G24-A34 WeakPolarHBondContact O-CA 3.05Å; G24-A34 PolarHBondContact O-N 2.81Å
25Y83.1Confident84Confident73 Ų7369 Ų6929%0.28636%0.361SS..EExtended strand (participates in β ladder)trans-127.7142.4172.9-58.8-88.8000111.1H9 C21 A22 I32 I33H9-Y25 HydrophobicContact CB-CD1 3.37Å; H9-Y25 HydrophobicContact CB-CD2 4.06Å; H9-Y25 HydrophobicContact CB-CE1 3.29Å; H9-Y25 HydrophobicContact CB-CE2 4Å; H9-Y25 HydrophobicContact CB-CG 3.75Å; H9-Y25 AromaticContact CD2-CE1 3.63Å; H9-Y25 AromaticContact CG-CD1 3.45Å; H9-Y25 VanDerWaalsContact CG-CD1 3.45Å; H9-Y25 AromaticContact CG-CE1 3.21Å; H9-Y25 AromaticContact CG-CZ 3.94Å; H9-Y25 AromaticContact ND1-CD1 3.43Å; H9-Y25 WeakPolarHBondContact ND1-CD1 3.01Å; H9-Y25 AromaticContact ND1-CE1 3.55Å; C21-Y25 WeakPolarHBondContact CB-O 3.44Å; A22-Y25 HydrophobicContact CB-CD2 4.23Å; A22-Y25 PolarHBondContact O-N 2.97Å; A22-Y25 VanDerWaalsContact O-N 3.07Å; Y25-I32 CarbonylContact C-O 3.52Å; Y25-I32 VanDerWaalsContact CA-O 3.26Å; Y25-I32 WeakPolarHBondContact CA-O 3.42Å; Y25-I33 HydrophobicContact CD1-CG1 4.15Å; Y25-I33 HydrophobicContact CE1-CD1 4.5Å; Y25-I33 HydrophobicContact CE1-CG1 3.85Å
26V82.1Confident83.9Confident41 Ų4167.9 Ų67.925%0.24835%0.35CS..EExtended strand (participates in β ladder)trans-142.6177.4177.8-57.90000110.7C30 E31 I32 A34 I47V26-C30 CarbonylContact O-C 3.49Å; V26-C30 WeakPolarHBondContact O-CA 3.41Å; V26-E31 PolarHBondContact O-N 2.96Å; V26-I32 HydrophobicContact CG2-CB 3.77Å; V26-I32 HydrophobicContact CG2-CD1 4.39Å; V26-I32 HydrophobicContact CG2-CG2 3.86Å; V26-I32 PolarHBondContact N-O 3.15Å; V26-I32 VanDerWaalsContact O-CB 3.26Å; V26-I32 WeakPolarHBondContact O-CB 3.24Å; V26-I32 PolarHBondContact O-N 3.31Å; V26-A34 HydrophobicContact CB-CB 4.46Å; V26-A34 HydrophobicContact CG1-CB 3.89Å; V26-A34 HydrophobicContact CG2-CB 3.86Å; V26-I47 WeakPolarHBondContact CG2-O 3.01Å
27G81.8Confident83.8Confident29 Ų2961.9 Ų61.930%0.29934%0.342SS..SBendtrans102.1164.5-175.700000112.1R29 C30G27-R29 PolarHBondContact O-N 3.3Å; G27-R29 VanDerWaalsContact O-N 3.13Å; G27-C30 PolarHBondContact O-N 2.03Å
28P86.2Confident84Confident93 Ų9360.8 Ų60.860%0.60434%0.34SS*.THydrogen-bonded Turntrans-61.2-23-175.525.1-34.5000113.2C19 E31C19-P28 WeakPolarHBondContact CB-O 3.41Å; C19-P28 PolarHBondContact SG-O 3.42Å; P28-E31 WeakPolarHBondContact CD-OE1 3.29Å; P28-E31 WeakPolarHBondContact CG-OE1 3.06Å
29R89.3Confident83.9Confident72 Ų7259.5 Ų59.527%0.27234%0.338SS..THydrogen-bonded Turntrans-125.418.9178.2-61.6178.858.3-140-15.5112.3P5 P6 Q8 G27 E31P5-R29 VanDerWaalsContact CB-CZ 3.5Å; P5-R29 PolarHBondContact O-NE 3.07Å; P5-R29 VanDerWaalsContact O-NE 3.12Å; P6-R29 PolarHBondContact O-NE 2.99Å; P6-R29 PolarHBondContact O-NH2 3.06Å; Q8-R29 WeakPolarHBondContact CB-O 3.23Å; Q8-R29 PolarHBondContact N-O 3.39Å; G27-R29 PolarHBondContact O-N 3.3Å; G27-R29 VanDerWaalsContact O-N 3.13Å; R29-E31 WeakPolarHBondContact CA-OE2 3.41Å; R29-E31 WeakPolarHBondContact CB-OE2 3.41Å; R29-E31 PolarHBondContact N-OE2 3.43Å; R29-E31 PolarHBondContact O-N 2.04Å
30C87.7Confident83.9Confident0 Ų059.8 Ų59.80%034%0.34CS..SBendtrans57.627.7-177.9-460000114Q8 H9 C21 V26 G27Q8-C30 WeakPolarHBondContact O-CB 3.48Å; H9-C30 PolarHBondContact ND1-O 3.16Å; C21-C30 WeakPolarHBondContact CA-SG 3.38Å; C21-C30 HydrophobicContact CB-CB 3.67Å; C21-C30 WeakPolarHBondContact CB-SG 3.43Å; C21-C30 WeakPolarHBondContact SG-CA 3.05Å; C21-C30 WeakPolarHBondContact SG-CB 3.12Å; C21-C30 CovalentContact SG-SG 2.03Å; C21-C30 PolarHBondContact SG-SG 2.8Å; V26-C30 CarbonylContact O-C 3.49Å; V26-C30 WeakPolarHBondContact O-CA 3.41Å; G27-C30 PolarHBondContact O-N 2.03Å
31E86.8Confident83.9Confident71 Ų7162 Ų6233%0.33234%0.344SS..  trans-80.4-19.5-176.769.2-86-144.700112.7V26 P28 R29V26-E31 PolarHBondContact O-N 2.96Å; P28-E31 WeakPolarHBondContact CD-OE1 3.29Å; P28-E31 WeakPolarHBondContact CG-OE1 3.06Å; R29-E31 WeakPolarHBondContact CA-OE2 3.41Å; R29-E31 WeakPolarHBondContact CB-OE2 3.41Å; R29-E31 PolarHBondContact N-OE2 3.43Å; R29-E31 PolarHBondContact O-N 2.04Å
32I80.5Confident84.1Confident54 Ų5463.4 Ų63.428%0.27735%0.348SS..EExtended strand (participates in β ladder)trans-93.1120.7-177.4-52.9174.8000109.2Y25 V26 A34 R48Y25-I32 CarbonylContact C-O 3.52Å; Y25-I32 VanDerWaalsContact CA-O 3.26Å; Y25-I32 WeakPolarHBondContact CA-O 3.42Å; V26-I32 HydrophobicContact CG2-CB 3.77Å; V26-I32 HydrophobicContact CG2-CD1 4.39Å; V26-I32 HydrophobicContact CG2-CG2 3.86Å; V26-I32 PolarHBondContact N-O 3.15Å; V26-I32 VanDerWaalsContact O-CB 3.26Å; V26-I32 WeakPolarHBondContact O-CB 3.24Å; V26-I32 PolarHBondContact O-N 3.31Å; I32-A34 PolarHBondContact O-N 3.36Å; I32-R48 HydrophobicContact CG2-CG 4.21Å
33I78.6Confident84.3Confident83 Ų8364.7 Ų64.743%0.42637%0.366SS..EExtended strand (participates in β ladder)trans-75.1114.2169.3-52-178.1000108.6Y25 V35 N49Y25-I33 HydrophobicContact CD1-CG1 4.15Å; Y25-I33 HydrophobicContact CE1-CD1 4.5Å; Y25-I33 HydrophobicContact CE1-CG1 3.85Å; I33-V35 HydrophobicContact CG2-CB 4.24Å; I33-V35 HydrophobicContact CG2-CG2 3.61Å; I33-N49 PolarHBondContact O-N 2.92Å; I33-N49 VanDerWaalsContact O-N 3.07Å
34A79.3Confident85Confident2 Ų255 Ų552%0.01733%0.332CS..  trans-112.361.2176.200000110.2G24 V26 I32 C46G24-A34 WeakPolarHBondContact CA-O 3.46Å; G24-A34 CarbonylContact O-C 3.3Å; G24-A34 WeakPolarHBondContact O-CA 3.05Å; G24-A34 PolarHBondContact O-N 2.81Å; V26-A34 HydrophobicContact CB-CB 4.46Å; V26-A34 HydrophobicContact CG1-CB 3.89Å; V26-A34 HydrophobicContact CG2-CB 3.86Å; I32-A34 PolarHBondContact O-N 3.36Å; A34-C46 HydrophobicContact CB-CB 4.35Å; A34-C46 WeakPolarHBondContact CB-O 3.23Å; A34-C46 WeakPolarHBondContact O-CB 3.5Å; A34-C46 PolarHBondContact O-SG 2.77Å
35V81.4Confident85.6Confident73 Ų7361 Ų6144%0.44236%0.356SS..  trans-89.4124.2171177.10000108.4I33 C46 N49 N50I33-V35 HydrophobicContact CG2-CB 4.24Å; I33-V35 HydrophobicContact CG2-CG2 3.61Å; V35-C46 VanDerWaalsContact C-SG 3.52Å; V35-N49 WeakPolarHBondContact O-CA 3.46Å; V35-N49 PolarHBondContact O-OD1 3.2Å; V35-N50 PolarHBondContact O-N 2.85Å
36C84.1Confident85.9Confident18 Ų1858.7 Ų58.712%0.12235%0.351CS..  trans-115.1111.8174.4-74.60000107.9P38 P39 C46C36-P38 CarbonylContact C-O 3.57Å; C36-P38 CarbonylContact O-C 3.56Å; C36-P38 VanDerWaalsContact O-C 3.32Å; C36-P39 WeakPolarHBondContact O-CA 3.33Å; C36-C46 HydrophobicContact CB-CB 3.83Å; C36-C46 WeakPolarHBondContact CB-SG 3.23Å; C36-C46 PolarHBondContact N-SG 2.77Å; C36-C46 WeakPolarHBondContact SG-CB 3.48Å; C36-C46 CovalentContact SG-SG 2.03Å; C36-C46 PolarHBondContact SG-SG 2.81Å
37S86.3Confident86Confident94 Ų9460.4 Ų60.466%0.65736%0.357SS*.SBendtrans-125.2110.5175.9-168.70000110N50S37-N50 PolarHBondContact N-OD1 3.26Å; S37-N50 PolarHBondContact O-OD1 2.03Å
38P87.8Confident86.1Confident71 Ų7166.4 Ų66.446%0.46137%0.371SS..SBendcis-78.8160.94.9-3.120.5000112.8C36 R62C36-P38 CarbonylContact C-O 3.57Å; C36-P38 CarbonylContact O-C 3.56Å; C36-P38 VanDerWaalsContact O-C 3.32Å; P38-R62 PolarHBondContact O-NE 2.77Å
39P87Confident86Confident74 Ų7466.6 Ų66.648%0.48137%0.367SS..PPolyproline II helixtrans-63.7155.9-169.924.9-34.7000113.2C36 R62C36-P39 WeakPolarHBondContact O-CA 3.33Å; P39-R62 VanDerWaalsContact O-CZ 3.26Å; P39-R62 PolarHBondContact O-NE 3.48Å; P39-R62 PolarHBondContact O-NH2 3.31Å
40C90.5Very high85.7Confident24 Ų2467.6 Ų67.616%0.16238%0.378CS..PPolyproline II helixtrans-59.3142.4171.5-520000110.3G44 C52C40-G44 VanDerWaalsContact CB-O 3.23Å; C40-G44 WeakPolarHBondContact CB-O 3.45Å; C40-C52 VanDerWaalsContact CA-SG 3.52Å; C40-C52 HydrophobicContact CB-CB 3.83Å; C40-C52 WeakPolarHBondContact CB-SG 3.44Å; C40-C52 WeakPolarHBondContact SG-CB 3.01Å; C40-C52 CovalentContact SG-SG 2.03Å; C40-C52 PolarHBondContact SG-SG 2.84Å
41K91.6Very high85.8Confident110 Ų11070.8 Ų70.848%0.47840%0.397SS..PPolyproline II helixtrans-100.4169.1179-69-161.8171.3-166.70111.2G43 G44 R62 C63 Q64K41-G43 VanDerWaalsContact C-N 3.25Å; K41-G43 PolarHBondContact O-N 2.84Å; K41-G43 VanDerWaalsContact O-N 3.16Å; K41-G44 PolarHBondContact O-N 3.41Å; K41-R62 WeakPolarHBondContact CB-O 3.46Å; K41-R62 PolarHBondContact N-O 3.38Å; K41-C63 WeakPolarHBondContact O-CB 3.33Å; K41-Q64 HydrophobicContact CD-CB 4.1Å
42N89.6Confident86Confident75 Ų7568.3 Ų68.340%0.40139%0.387SS..THydrogen-bonded Turntrans54.136.3169.9-57.2-39000114.4G44 P55 Y58 C63N42-G44 VanDerWaalsContact C-N 3.31Å; N42-G44 PolarHBondContact O-N 3.23Å; N42-P55 WeakPolarHBondContact O-CG 3.42Å; N42-Y58 HydrophobicContact CB-CD1 3.61Å; N42-Y58 HydrophobicContact CB-CD2 4.34Å; N42-Y58 HydrophobicContact CB-CE1 3.47Å; N42-Y58 VanDerWaalsContact CB-CE1 3.47Å; N42-Y58 HydrophobicContact CB-CE2 4.2Å; N42-Y58 HydrophobicContact CB-CG 4.03Å; N42-Y58 VanDerWaalsContact CG-CE1 3.42Å; N42-Y58 WeakPolarHBondContact ND2-CD1 3.28Å; N42-Y58 WeakPolarHBondContact ND2-CE1 3.09Å; N42-C63 PolarHBondContact ND2-O 3.25Å
43G86.6Confident86.5Confident69 Ų6968.5 Ų68.571%0.71139%0.393SS*.THydrogen-bonded Turntrans78.68.8-178.800000115K41K41-G43 VanDerWaalsContact C-N 3.25Å; K41-G43 PolarHBondContact O-N 2.84Å; K41-G43 VanDerWaalsContact O-N 3.16Å
44G90.3Very high87.1Confident14 Ų1466.6 Ų66.614%0.14439%0.387CS..PPolyproline II helixtrans-59.6139.217300000112.6C40 K41 N42 S53C40-G44 VanDerWaalsContact CB-O 3.23Å; C40-G44 WeakPolarHBondContact CB-O 3.45Å; K41-G44 PolarHBondContact O-N 3.41Å; N42-G44 VanDerWaalsContact C-N 3.31Å; N42-G44 PolarHBondContact O-N 3.23Å; G44-S53 CarbonylContact C-O 3.3Å; G44-S53 VanDerWaalsContact CA-O 3.27Å; G44-S53 WeakPolarHBondContact CA-O 3.39Å
45Q88.1Confident87.6Confident141 Ų14168.8 Ų68.866%0.65940%0.401SS*.EExtended strand (participates in β ladder)trans-99.1131.1178-68.2-175.8-3.700110I47 C52 S53Q45-I47 PolarHBondContact O-N 3.11Å; Q45-C52 CarbonylContact O-C 3.48Å; Q45-C52 WeakPolarHBondContact O-CA 3.3Å; Q45-S53 PolarHBondContact N-O 3.25Å; Q45-S53 PolarHBondContact O-N 3.31Å
46C87.8Confident88Confident25 Ų2574 Ų7417%0.16942%0.42CS..EExtended strand (participates in β ladder)trans-75118.7171.8-163.50000108.4A34 V35 C36 R48A34-C46 HydrophobicContact CB-CB 4.35Å; A34-C46 WeakPolarHBondContact CB-O 3.23Å; A34-C46 WeakPolarHBondContact O-CB 3.5Å; A34-C46 PolarHBondContact O-SG 2.77Å; V35-C46 VanDerWaalsContact C-SG 3.52Å; C36-C46 HydrophobicContact CB-CB 3.83Å; C36-C46 WeakPolarHBondContact CB-SG 3.23Å; C36-C46 PolarHBondContact N-SG 2.77Å; C36-C46 WeakPolarHBondContact SG-CB 3.48Å; C36-C46 CovalentContact SG-SG 2.03Å; C36-C46 PolarHBondContact SG-SG 2.81Å; C46-R48 PolarHBondContact SG-O 3.07Å
47I85.9Confident88.1Confident76 Ų7674.1 Ų74.139%0.3943%0.425SS..EExtended strand (participates in β ladder)trans-111.6-11-176.858.4161.3000112.7V26 Q45 V51V26-I47 WeakPolarHBondContact CG2-O 3.01Å; Q45-I47 PolarHBondContact O-N 3.11Å; I47-V51 HydrophobicContact CD1-CG1 4.22Å; I47-V51 HydrophobicContact CG1-CB 4.47Å; I47-V51 HydrophobicContact CG1-CG1 4.07Å; I47-V51 WeakPolarHBondContact CG1-O 3.24Å; I47-V51 PolarHBondContact N-O 3.1Å
48R81.9Confident88.3Confident156 Ų15672.4 Ų72.459%0.58940%0.404SS*.EExtended strand (participates in β ladder)trans-161.7163.5172.1-165.4176.5-72.2175.7-4.4107.8I32 C46 N50 V51I32-R48 HydrophobicContact CG2-CG 4.21Å; C46-R48 PolarHBondContact SG-O 3.07Å; R48-N50 PolarHBondContact O-N 3.31Å; R48-V51 HydrophobicContact CB-CB 3.96Å; R48-V51 HydrophobicContact CB-CG2 4.12Å; R48-V51 PolarHBondContact N-O 2.04Å; R48-V51 PolarHBondContact O-N 2.04Å
49N84.2Confident88.3Confident96 Ų9672.3 Ų72.351%0.51340%0.402SS..THydrogen-bonded Turntrans-45.7115.1175.4-168.533.3000112I33 V35 V51I33-N49 PolarHBondContact O-N 2.92Å; I33-N49 VanDerWaalsContact O-N 3.07Å; V35-N49 WeakPolarHBondContact O-CA 3.46Å; V35-N49 PolarHBondContact O-OD1 3.2Å; N49-V51 PolarHBondContact O-N 3.07Å
50N84.6Confident88.5Confident94 Ų9470.1 Ų70.150%0.50339%0.393SS..THydrogen-bonded Turntrans55.421.8-175.5-62.5-43.4000116.7V35 S37 R48V35-N50 PolarHBondContact O-N 2.85Å; S37-N50 PolarHBondContact N-OD1 3.26Å; S37-N50 PolarHBondContact O-OD1 2.03Å; R48-N50 PolarHBondContact O-N 3.31Å
51V88.8Confident88.5Confident67 Ų6777.8 Ų77.841%0.40642%0.424SS..EExtended strand (participates in β ladder)trans-117114.1174.5-175.30000109.7I47 R48 N49I47-V51 HydrophobicContact CD1-CG1 4.22Å; I47-V51 HydrophobicContact CG1-CB 4.47Å; I47-V51 HydrophobicContact CG1-CG1 4.07Å; I47-V51 WeakPolarHBondContact CG1-O 3.24Å; I47-V51 PolarHBondContact N-O 3.1Å; R48-V51 HydrophobicContact CB-CB 3.96Å; R48-V51 HydrophobicContact CB-CG2 4.12Å; R48-V51 PolarHBondContact N-O 2.04Å; R48-V51 PolarHBondContact O-N 2.04Å; N49-V51 PolarHBondContact O-N 3.07Å
52C90.4Very high88.5Confident19 Ų1976 Ų7613%0.12841%0.414CS..EExtended strand (participates in β ladder)trans-95.7130.9175.2-61.20000110.8C40 Q45C40-C52 VanDerWaalsContact CA-SG 3.52Å; C40-C52 HydrophobicContact CB-CB 3.83Å; C40-C52 WeakPolarHBondContact CB-SG 3.44Å; C40-C52 WeakPolarHBondContact SG-CB 3.01Å; C40-C52 CovalentContact SG-SG 2.03Å; C40-C52 PolarHBondContact SG-SG 2.84Å; Q45-C52 CarbonylContact O-C 3.48Å; Q45-C52 WeakPolarHBondContact O-CA 3.3Å
53S91.3Very high88.6Confident57 Ų5772.4 Ų72.440%0.39940%0.395SS..EExtended strand (participates in β ladder)trans-83.1122.7160.5-172.70000108.7G44 Q45G44-S53 CarbonylContact C-O 3.3Å; G44-S53 VanDerWaalsContact CA-O 3.27Å; G44-S53 WeakPolarHBondContact CA-O 3.39Å; Q45-S53 PolarHBondContact N-O 3.25Å; Q45-S53 PolarHBondContact O-N 3.31Å
54C92.4Very high88.8Confident43 Ų4373.1 Ų73.129%0.29138%0.38SS..PPolyproline II helixtrans-96138.1-175.4-58.10000111.7Y58 C63C54-Y58 WeakPolarHBondContact CB-O 3.3Å; C54-C63 WeakPolarHBondContact CA-SG 3.26Å; C54-C63 HydrophobicContact CB-CB 3.69Å; C54-C63 WeakPolarHBondContact CB-SG 3.15Å; C54-C63 WeakPolarHBondContact SG-CA 3.33Å; C54-C63 WeakPolarHBondContact SG-CB 3.33Å; C54-C63 CovalentContact SG-SG 2.04Å; C54-C63 PolarHBondContact SG-SG 2.98Å
55P89.9Confident88.6Confident48 Ų4878.7 Ų78.731%0.31240%0.4SS..PPolyproline II helixtrans-65.7162.1170.725.5-28.8000110.6N42 G57 Y58N42-P55 WeakPolarHBondContact O-CG 3.42Å; P55-G57 PolarHBondContact O-N 2.76Å; P55-Y58 HydrophobicContact CG-CD2 3.81Å; P55-Y58 HydrophobicContact CG-CE2 4.43Å; P55-Y58 HydrophobicContact CG-CG 4.5Å; P55-Y58 PolarHBondContact O-N 2.95Å; P55-Y58 VanDerWaalsContact O-N 3.1Å
56E88.5Confident88.5Confident183 Ų18373.5 Ų73.586%0.85538%0.379SS*.THydrogen-bonded Turntrans-53.1137.5179-165.6-179.2171.200111.3Y58E56-Y58 VanDerWaalsContact C-N 3.32Å; E56-Y58 PolarHBondContact O-N 3.14Å
57G86.5Confident88.2Confident20 Ų2075.2 Ų75.221%0.20639%0.389CS..THydrogen-bonded Turntrans77.89.9-176.800000115.1P55 S66 V67P55-G57 PolarHBondContact O-N 2.76Å; G57-S66 CarbonylContact O-C 3.57Å; G57-V67 PolarHBondContact O-N 2.81Å
58Y89.8Confident87.7Confident59 Ų5972.9 Ų72.923%0.23138%0.379CS..EExtended strand (participates in β ladder)trans-128.7150.5172-64.3-86.7000112.6N42 C54 P55 E56 K65 P81N42-Y58 HydrophobicContact CB-CD1 3.61Å; N42-Y58 HydrophobicContact CB-CD2 4.34Å; N42-Y58 HydrophobicContact CB-CE1 3.47Å; N42-Y58 VanDerWaalsContact CB-CE1 3.47Å; N42-Y58 HydrophobicContact CB-CE2 4.2Å; N42-Y58 HydrophobicContact CB-CG 4.03Å; N42-Y58 VanDerWaalsContact CG-CE1 3.42Å; N42-Y58 WeakPolarHBondContact ND2-CD1 3.28Å; N42-Y58 WeakPolarHBondContact ND2-CE1 3.09Å; C54-Y58 WeakPolarHBondContact CB-O 3.3Å; P55-Y58 HydrophobicContact CG-CD2 3.81Å; P55-Y58 HydrophobicContact CG-CE2 4.43Å; P55-Y58 HydrophobicContact CG-CG 4.5Å; P55-Y58 PolarHBondContact O-N 2.95Å; P55-Y58 VanDerWaalsContact O-N 3.1Å; E56-Y58 VanDerWaalsContact C-N 3.32Å; E56-Y58 PolarHBondContact O-N 3.14Å; Y58-K65 CarbonylContact C-O 3.51Å; Y58-K65 VanDerWaalsContact CA-O 3.3Å; Y58-K65 WeakPolarHBondContact CA-O 3.28Å; Y58-P81 HydrophobicContact CD2-CG 3.84Å; Y58-P81 HydrophobicContact CE1-CG 4.27Å; Y58-P81 HydrophobicContact CE2-CG 3.27Å; Y58-P81 WeakPolarHBondContact OH-CD 3.03Å
59T89.5Confident87.2Confident69 Ų6972.9 Ų72.942%0.42339%0.386SS..EExtended strand (participates in β ladder)trans-149177.9-177.5-166.90000112.2C63 Q64 K65 V67T59-C63 CarbonylContact O-C 3.34Å; T59-C63 VanDerWaalsContact O-C 3.3Å; T59-C63 VanDerWaalsContact O-CA 3.3Å; T59-C63 WeakPolarHBondContact O-CA 3Å; T59-Q64 PolarHBondContact O-N 2.92Å; T59-K65 HydrophobicContact CG2-CB 3.68Å; T59-K65 HydrophobicContact CG2-CD 4.43Å; T59-K65 PolarHBondContact N-O 3.36Å; T59-K65 WeakPolarHBondContact O-CB 3.03Å; T59-K65 PolarHBondContact O-N 3.45Å; T59-V67 HydrophobicContact CG2-CG2 3.55Å
60G90.1Very high86.6Confident28 Ų2871.4 Ų71.429%0.28938%0.378SS..SBendtrans91.1165.3-175.600000113.2R62 C63G60-R62 PolarHBondContact O-N 3.2Å; G60-C63 PolarHBondContact O-N 2.95Å
61K90.1Very high86.6Confident184 Ų18472.2 Ų72.280%0.839%0.386SS*.THydrogen-bonded Turntrans-53.4-28.8-173.4-69.2-174.8171.8-1780114.6
62R92.2Very high86.5Confident72 Ų7270.1 Ų70.127%0.27237%0.374SS..THydrogen-bonded Turntrans-123.520.6179.8-66.7175.852-154.9-5.5112.1P38 P39 K41 G60 Q64P38-R62 PolarHBondContact O-NE 2.77Å; P39-R62 VanDerWaalsContact O-CZ 3.26Å; P39-R62 PolarHBondContact O-NE 3.48Å; P39-R62 PolarHBondContact O-NH2 3.31Å; K41-R62 WeakPolarHBondContact CB-O 3.46Å; K41-R62 PolarHBondContact N-O 3.38Å; G60-R62 PolarHBondContact O-N 3.2Å; R62-Q64 PolarHBondContact O-N 2.78Å; R62-Q64 VanDerWaalsContact O-N 3.15Å
63C91.9Very high86.5Confident0 Ų073.2 Ų73.20%039%0.388CS..SBendtrans58.326.5-176.7-44.10000113.8K41 N42 C54 T59 G60K41-C63 WeakPolarHBondContact O-CB 3.33Å; N42-C63 PolarHBondContact ND2-O 3.25Å; C54-C63 WeakPolarHBondContact CA-SG 3.26Å; C54-C63 HydrophobicContact CB-CB 3.69Å; C54-C63 WeakPolarHBondContact CB-SG 3.15Å; C54-C63 WeakPolarHBondContact SG-CA 3.33Å; C54-C63 WeakPolarHBondContact SG-CB 3.33Å; C54-C63 CovalentContact SG-SG 2.04Å; C54-C63 PolarHBondContact SG-SG 2.98Å; T59-C63 CarbonylContact O-C 3.34Å; T59-C63 VanDerWaalsContact O-C 3.3Å; T59-C63 VanDerWaalsContact O-CA 3.3Å; T59-C63 WeakPolarHBondContact O-CA 3Å; G60-C63 PolarHBondContact O-N 2.95Å
64Q90.8Very high86.5Confident85 Ų8574 Ų7440%0.39739%0.388SS..  trans-83.3-13-173.475.5-79.71100113.7K41 T59 R62K41-Q64 HydrophobicContact CD-CB 4.1Å; T59-Q64 PolarHBondContact O-N 2.92Å; R62-Q64 PolarHBondContact O-N 2.78Å; R62-Q64 VanDerWaalsContact O-N 3.15Å
65K87.1Confident86.2Confident130 Ų13074.8 Ų74.857%0.56540%0.402SS*.EExtended strand (participates in β ladder)trans-101.1129.9179.4-63.9-178176.1-174.40108.7Y58 T59Y58-K65 CarbonylContact C-O 3.51Å; Y58-K65 VanDerWaalsContact CA-O 3.3Å; Y58-K65 WeakPolarHBondContact CA-O 3.28Å; T59-K65 HydrophobicContact CG2-CB 3.68Å; T59-K65 HydrophobicContact CG2-CD 4.43Å; T59-K65 PolarHBondContact N-O 3.36Å; T59-K65 WeakPolarHBondContact O-CB 3.03Å; T59-K65 PolarHBondContact O-N 3.45Å
66S84.5Confident86.3Confident33 Ų3373.1 Ų73.123%0.23139%0.394CS..EExtended strand (participates in β ladder)trans-82.1137.9170.9-50.30000109.5G57G57-S66 CarbonylContact O-C 3.57Å
67V82Confident86.3Confident60 Ų6071.8 Ų71.836%0.36439%0.385SS..PPolyproline II helixtrans-96.5117.6171-178.70000107G57 T59G57-V67 PolarHBondContact O-N 2.81Å; T59-V67 HydrophobicContact CG2-CG2 3.55Å
68C75.3Confident86.4Confident28 Ų2873.2 Ų73.219%0.18939%0.392CS..  trans-104110167.8-73.10000107.2L70 C78 G80C68-L70 WeakPolarHBondContact CB-O 3.5Å; C68-L70 PolarHBondContact O-N 3.39Å; C68-C78 HydrophobicContact CB-CB 3.93Å; C68-C78 WeakPolarHBondContact CB-SG 3Å; C68-C78 WeakPolarHBondContact SG-CB 3.39Å; C68-C78 CovalentContact SG-SG 2.03Å; C68-C78 PolarHBondContact SG-SG 3.07Å; C68-G80 PolarHBondContact SG-O 2.97Å
69E71.2Confident86.3Confident156 Ų15674.6 Ų74.673%0.72941%0.406SS*.SBendtrans-64.2-32168.9-61.9-178147.400110T71 N82E69-T71 PolarHBondContact O-N 2.04Å; E69-N82 PolarHBondContact N-OD1 2.79Å
70L72.5Confident85.9Confident65 Ų6571.7 Ų71.734%0.3439%0.39SS..SBendtrans-83.4107.9172.3-68.7155.1000110.3C68 C72 N82 R94C68-L70 WeakPolarHBondContact CB-O 3.5Å; C68-L70 PolarHBondContact O-N 3.39Å; L70-C72 PolarHBondContact O-N 3.13Å; L70-N82 HydrophobicContact CD1-CB 3.96Å; L70-N82 PolarHBondContact N-OD1 2.92Å; L70-R94 HydrophobicContact CB-CG 3.94Å; L70-R94 HydrophobicContact CD2-CG 3.94Å; L70-R94 HydrophobicContact CG-CG 4.48Å
71T83Confident85.4Confident111 Ų11172.3 Ų72.368%0.68139%0.389SS*.PPolyproline II helixtrans-61.9120.3173.5-50.60000110.9E69 M73E69-T71 PolarHBondContact O-N 2.04Å; T71-M73 PolarHBondContact O-N 3.08Å
72C88.7Confident84.9Confident23 Ų2366.6 Ų66.616%0.15537%0.367CS..PPolyproline II helixtrans-68.6121.1173.3-52.30000109.9L70 G76 C84L70-C72 PolarHBondContact O-N 3.13Å; C72-G76 WeakPolarHBondContact CB-O 3.35Å; C72-C84 WeakPolarHBondContact CA-SG 3.46Å; C72-C84 HydrophobicContact CB-CB 3.78Å; C72-C84 WeakPolarHBondContact CB-SG 3.17Å; C72-C84 VanDerWaalsContact SG-CA 3.58Å; C72-C84 WeakPolarHBondContact SG-CB 3.43Å; C72-C84 CovalentContact SG-SG 2.03Å; C72-C84 PolarHBondContact SG-SG 3.46Å
73M90.1Very high84.5Confident83 Ų8366.7 Ų66.741%0.40938%0.376SS..PPolyproline II helixtrans-89.2171-178.4-58.1-172.411200111.8T71 G75 G76 R94 C95 N96T71-M73 PolarHBondContact O-N 3.08Å; M73-G75 VanDerWaalsContact C-N 3.26Å; M73-G75 PolarHBondContact O-N 3Å; M73-G75 VanDerWaalsContact O-N 3.13Å; M73-G76 PolarHBondContact O-N 2.94Å; M73-R94 WeakPolarHBondContact CB-O 3.21Å; M73-R94 PolarHBondContact N-O 3.49Å; M73-R94 PolarHBondContact SD-NH2 3.12Å; M73-C95 WeakPolarHBondContact O-CB 3.39Å; M73-N96 HydrophobicContact SD-CB 4.1Å
74N90.1Very high84.5Confident75 Ų7567.6 Ų67.640%0.40138%0.382SS..THydrogen-bonded Turntrans53.139169-56.8-49.3000114.6G76 W90 C95N74-G76 VanDerWaalsContact C-N 3.31Å; N74-G76 PolarHBondContact O-N 2.74Å; N74-W90 HydrophobicContact CB-CD2 3.59Å; N74-W90 VanDerWaalsContact CB-CE2 3.47Å; N74-W90 HydrophobicContact CB-CE3 4.18Å; N74-W90 HydrophobicContact CB-CG 3.82Å; N74-W90 HydrophobicContact CB-CZ2 3.97Å; N74-W90 WeakPolarHBondContact ND2-CZ3 3.04Å; N74-C95 PolarHBondContact ND2-O 2.8Å
75G87.1Confident84.6Confident58 Ų5866.6 Ų66.660%0.59838%0.384SS*.THydrogen-bonded Turntrans77.210.2-18000000115M73 S87M73-G75 VanDerWaalsContact C-N 3.26Å; M73-G75 PolarHBondContact O-N 3Å; M73-G75 VanDerWaalsContact O-N 3.13Å; G75-S87 PolarHBondContact O-OG 3.11Å; G75-S87 VanDerWaalsContact O-OG 3.07Å
76G90.9Very high84.8Confident14 Ų1462.2 Ų62.214%0.14437%0.37CS..  trans-62.4147.7173.400000112.6C72 M73 N74 S85C72-G76 WeakPolarHBondContact CB-O 3.35Å; M73-G76 PolarHBondContact O-N 2.94Å; N74-G76 VanDerWaalsContact C-N 3.31Å; N74-G76 PolarHBondContact O-N 2.74Å; G76-S85 CarbonylContact C-O 3.53Å; G76-S85 VanDerWaalsContact CA-O 3.28Å; G76-S85 WeakPolarHBondContact CA-O 3.23Å
77K89.9Confident85.1Confident154 Ų15463 Ų6367%0.6738%0.375SS*.EExtended strand (participates in β ladder)trans-108.1133.5179.7-65.6-176.9-177.8177.40110.9V79 C84 S85K77-V79 PolarHBondContact O-N 3.37Å; K77-C84 CarbonylContact O-C 3.32Å; K77-C84 WeakPolarHBondContact O-CA 3.01Å; K77-S85 PolarHBondContact N-O 3.32Å; K77-S85 PolarHBondContact O-N 2.03Å
78C87.8Confident85.4Confident50 Ų5064.6 Ų64.634%0.33839%0.389SS..EExtended strand (participates in β ladder)trans-69.5114170.5-177.10000109.1C68C68-C78 HydrophobicContact CB-CB 3.93Å; C68-C78 WeakPolarHBondContact CB-SG 3Å; C68-C78 WeakPolarHBondContact SG-CB 3.39Å; C68-C78 CovalentContact SG-SG 2.03Å; C68-C78 PolarHBondContact SG-SG 3.07Å
79V86.8Confident86.1Confident88 Ų8863.5 Ų63.553%0.53338%0.383SS..EExtended strand (participates in β ladder)trans-110.5-15.1-178.8-66.40000112.7K77 T83K77-V79 PolarHBondContact O-N 3.37Å; V79-T83 HydrophobicContact CG2-CG2 3.95Å; V79-T83 WeakPolarHBondContact CG2-O 3.34Å; V79-T83 PolarHBondContact N-O 2.9Å
80G81.8Confident87.1Confident8 Ų859.1 Ų59.18%0.08236%0.36CS..EExtended strand (participates in β ladder)trans-160.7174175.800000110.6C68 N82 T83C68-G80 PolarHBondContact SG-O 2.97Å; G80-N82 PolarHBondContact O-N 2.85Å; G80-N82 VanDerWaalsContact O-N 3.09Å; G80-T83 PolarHBondContact N-O 2.9Å; G80-T83 PolarHBondContact O-N 3.45Å
81P80.6Confident87.9Confident42 Ų4258.1 Ų58.127%0.27336%0.358SS..THydrogen-bonded Turntrans-48.7118.5173.3-27.534000110.4Y58 T83Y58-P81 HydrophobicContact CD2-CG 3.84Å; Y58-P81 HydrophobicContact CE1-CG 4.27Å; Y58-P81 HydrophobicContact CE2-CG 3.27Å; Y58-P81 WeakPolarHBondContact OH-CD 3.03Å; P81-T83 PolarHBondContact O-N 3.13Å; P81-T83 PolarHBondContact O-OG1 2.99Å
82N78.5Confident88.2Confident64 Ų6454.2 Ų54.234%0.34234%0.34SS..THydrogen-bonded Turntrans50.825-179.9-70.2-31.4000114.8E69 L70 G80E69-N82 PolarHBondContact N-OD1 2.79Å; L70-N82 HydrophobicContact CD1-CB 3.96Å; L70-N82 PolarHBondContact N-OD1 2.92Å; G80-N82 PolarHBondContact O-N 2.85Å; G80-N82 VanDerWaalsContact O-N 3.09Å
83T85Confident88.2Confident74 Ų7461.6 Ų61.645%0.45437%0.369SS..EExtended strand (participates in β ladder)trans-121.5111.8-175.5-570000109.6V79 G80 P81V79-T83 HydrophobicContact CG2-CG2 3.95Å; V79-T83 WeakPolarHBondContact CG2-O 3.34Å; V79-T83 PolarHBondContact N-O 2.9Å; G80-T83 PolarHBondContact N-O 2.9Å; G80-T83 PolarHBondContact O-N 3.45Å; P81-T83 PolarHBondContact O-N 3.13Å; P81-T83 PolarHBondContact O-OG1 2.99Å
84C90.5Very high88.1Confident19 Ų1962.2 Ų62.213%0.12837%0.367CS..EExtended strand (participates in β ladder)trans-99.5128.7178.2-64.20000111.2C72 K77 K93 C95C72-C84 WeakPolarHBondContact CA-SG 3.46Å; C72-C84 HydrophobicContact CB-CB 3.78Å; C72-C84 WeakPolarHBondContact CB-SG 3.17Å; C72-C84 VanDerWaalsContact SG-CA 3.58Å; C72-C84 WeakPolarHBondContact SG-CB 3.43Å; C72-C84 CovalentContact SG-SG 2.03Å; C72-C84 PolarHBondContact SG-SG 3.46Å; K77-C84 CarbonylContact O-C 3.32Å; K77-C84 WeakPolarHBondContact O-CA 3.01Å; C84-K93 WeakPolarHBondContact CB-O 3.39Å; C84-K93 PolarHBondContact SG-O 3.41Å; C84-C95 VanDerWaalsContact CB-SG 3.6Å
85S92.3Very high88.2Confident63 Ų6358.6 Ų58.644%0.44135%0.348SS..EExtended strand (participates in β ladder)trans-85.2112.2161.9-179.80000108.5G76 K77G76-S85 CarbonylContact C-O 3.53Å; G76-S85 VanDerWaalsContact CA-O 3.28Å; G76-S85 WeakPolarHBondContact CA-O 3.23Å; K77-S85 PolarHBondContact N-O 3.32Å; K77-S85 PolarHBondContact O-N 2.03Å
86C92Very high88.4Confident39 Ų3959.4 Ų59.426%0.26434%0.338SS..PPolyproline II helixtrans-81.2146.9-176.1-56.80000113.1W90 C95C86-W90 HydrophobicContact CB-CB 4.3Å; C86-W90 WeakPolarHBondContact CB-O 3.49Å; C86-C95 WeakPolarHBondContact CA-SG 3.44Å; C86-C95 HydrophobicContact CB-CB 3.68Å; C86-C95 WeakPolarHBondContact CB-SG 3.48Å; C86-C95 WeakPolarHBondContact SG-CA 3.28Å; C86-C95 WeakPolarHBondContact SG-CB 3.48Å; C86-C95 CovalentContact SG-SG 2.04Å; C86-C95 PolarHBondContact SG-SG 2.86Å
87S90.5Very high88.3Confident50 Ų5063.7 Ų63.735%0.3536%0.356SS..PPolyproline II helixtrans-67.5159.2168.9-670000111.2G75 G89 W90G75-S87 PolarHBondContact O-OG 3.11Å; G75-S87 VanDerWaalsContact O-OG 3.07Å; S87-G89 PolarHBondContact O-N 3.25Å; S87-W90 PolarHBondContact O-N 2.85Å; S87-W90 VanDerWaalsContact O-N 3.13Å
88S89.4Confident88.3Confident92 Ų9258.4 Ų58.464%0.64334%0.337SS*.THydrogen-bonded Turntrans-52.4134.2176.9-172.40000111.4
89G89.2Confident88.3Confident6 Ų658.5 Ų58.56%0.06234%0.336CS..THydrogen-bonded Turntrans81.211.9-177.700000115.4S87 V99 A113S87-G89 PolarHBondContact O-N 3.25Å; G89-V99 VanDerWaalsContact CA-O 3.28Å; G89-V99 WeakPolarHBondContact CA-O 3.36Å; G89-V99 PolarHBondContact O-N 2.94Å; G89-A113 WeakPolarHBondContact O-CA 3.22Å
90W91.8Very high88.4Confident64 Ų6455.2 Ų55.224%0.24232%0.317CS..EExtended strand (participates in β ladder)trans-133.4151.6175-62.596.5000112.2N74 C86 S87 C95 M97 P98 A113N74-W90 HydrophobicContact CB-CD2 3.59Å; N74-W90 VanDerWaalsContact CB-CE2 3.47Å; N74-W90 HydrophobicContact CB-CE3 4.18Å; N74-W90 HydrophobicContact CB-CG 3.82Å; N74-W90 HydrophobicContact CB-CZ2 3.97Å; N74-W90 WeakPolarHBondContact ND2-CZ3 3.04Å; C86-W90 HydrophobicContact CB-CB 4.3Å; C86-W90 WeakPolarHBondContact CB-O 3.49Å; S87-W90 PolarHBondContact O-N 2.85Å; S87-W90 VanDerWaalsContact O-N 3.13Å; W90-C95 HydrophobicContact CB-CB 4.29Å; W90-M97 CarbonylContact C-O 3.57Å; W90-M97 WeakPolarHBondContact CA-O 3.41Å; W90-P98 HydrophobicContact CE3-CB 4.3Å; W90-P98 HydrophobicContact CZ3-CB 4Å; W90-A113 HydrophobicContact CZ2-CB 4.26Å
91S90.4Very high88.5Confident43 Ų4360.3 Ų60.330%0.30134%0.342SS..EExtended strand (participates in β ladder)trans-150.8-175.317969.10000111.9C95 N96 M97 V99S91-C95 CarbonylContact O-C 3.46Å; S91-C95 VanDerWaalsContact O-C 3.3Å; S91-C95 WeakPolarHBondContact O-CA 3.42Å; S91-N96 PolarHBondContact O-N 3.09Å; S91-N96 VanDerWaalsContact O-N 3.12Å; S91-M97 PolarHBondContact N-O 2.03Å; S91-M97 WeakPolarHBondContact O-CB 3.1Å; S91-M97 PolarHBondContact O-N 3.17Å; S91-M97 WeakPolarHBondContact OG-CB 3.02Å; S91-M97 PolarHBondContact OG-O 3.21Å; S91-V99 VanDerWaalsContact CB-CG2 3.42Å; S91-V99 WeakPolarHBondContact OG-CG2 3.38Å
92G88.9Confident88.8Confident30 Ų3064.1 Ų64.131%0.30936%0.356SS..SBendtrans86.5164.6-17400000112.1R94 C95G92-R94 PolarHBondContact O-N 3.38Å; G92-R94 VanDerWaalsContact O-N 3.08Å; G92-C95 PolarHBondContact O-N 3.02Å
93K87.6Confident89.3Confident178 Ų17869.8 Ų69.877%0.77438%0.377SS*.THydrogen-bonded Turntrans-57-29.5-174.4-67.1-174.6177.6-177.80113.6C84C84-K93 WeakPolarHBondContact CB-O 3.39Å; C84-K93 PolarHBondContact SG-O 3.41Å
94R89.3Confident89.7Confident95 Ų9567.4 Ų67.436%0.35836%0.364SS..THydrogen-bonded Turntrans-110.710.6178.5-78.5178.833.6-155.4-10.2113.9L70 M73 G92 N96L70-R94 HydrophobicContact CB-CG 3.94Å; L70-R94 HydrophobicContact CD2-CG 3.94Å; L70-R94 HydrophobicContact CG-CG 4.48Å; M73-R94 WeakPolarHBondContact CB-O 3.21Å; M73-R94 PolarHBondContact N-O 3.49Å; M73-R94 PolarHBondContact SD-NH2 3.12Å; G92-R94 PolarHBondContact O-N 3.38Å; G92-R94 VanDerWaalsContact O-N 3.08Å; R94-N96 PolarHBondContact O-N 3.47Å
95C92.1Very high89.9Confident0 Ų072.4 Ų72.40%038%0.383CS..SBendtrans58.633.8-174.7-48.10000113.3M73 N74 C84 C86 W90 S91 G92M73-C95 WeakPolarHBondContact O-CB 3.39Å; N74-C95 PolarHBondContact ND2-O 2.8Å; C84-C95 VanDerWaalsContact CB-SG 3.6Å; C86-C95 WeakPolarHBondContact CA-SG 3.44Å; C86-C95 HydrophobicContact CB-CB 3.68Å; C86-C95 WeakPolarHBondContact CB-SG 3.48Å; C86-C95 WeakPolarHBondContact SG-CA 3.28Å; C86-C95 WeakPolarHBondContact SG-CB 3.48Å; C86-C95 CovalentContact SG-SG 2.04Å; C86-C95 PolarHBondContact SG-SG 2.86Å; W90-C95 HydrophobicContact CB-CB 4.29Å; S91-C95 CarbonylContact O-C 3.46Å; S91-C95 VanDerWaalsContact O-C 3.3Å; S91-C95 WeakPolarHBondContact O-CA 3.42Å; G92-C95 PolarHBondContact O-N 3.02Å
96N90.8Very high90Very high74 Ų7473.1 Ų73.140%0.39638%0.382SS..  trans-99.1-10.7-176.666.8-58.6000113.3M73 S91 R94M73-N96 HydrophobicContact SD-CB 4.1Å; S91-N96 PolarHBondContact O-N 3.09Å; S91-N96 VanDerWaalsContact O-N 3.12Å; R94-N96 PolarHBondContact O-N 3.47Å
97M89.3Confident90Very high105 Ų10574.7 Ų74.752%0.51741%0.405SS..EExtended strand (participates in β ladder)trans-95.3118.9179-64.4176.9173.800109.1W90 S91W90-M97 CarbonylContact C-O 3.57Å; W90-M97 WeakPolarHBondContact CA-O 3.41Å; S91-M97 PolarHBondContact N-O 2.03Å; S91-M97 WeakPolarHBondContact O-CB 3.1Å; S91-M97 PolarHBondContact O-N 3.17Å; S91-M97 WeakPolarHBondContact OG-CB 3.02Å; S91-M97 PolarHBondContact OG-O 3.21Å
98P88.7Confident90.2Very high42 Ų4273.1 Ų73.127%0.27340%0.397SS..EExtended strand (participates in β ladder)trans-65.7146.6176.228.9-34.4000110.4W90 C110W90-P98 HydrophobicContact CE3-CB 4.3Å; W90-P98 HydrophobicContact CZ3-CB 4Å; P98-C110 WeakPolarHBondContact CG-O 3.03Å
99V89.4Confident90.3Very high52 Ų5274.9 Ų74.932%0.31540%0.395SS..  trans-126.9131.3174.4-179.40000108.1G89 S91 C110 N114G89-V99 VanDerWaalsContact CA-O 3.28Å; G89-V99 WeakPolarHBondContact CA-O 3.36Å; G89-V99 PolarHBondContact O-N 2.94Å; S91-V99 VanDerWaalsContact CB-CG2 3.42Å; S91-V99 WeakPolarHBondContact OG-CG2 3.38Å; V99-C110 VanDerWaalsContact C-SG 3.51Å; V99-N114 PolarHBondContact O-N 3.16Å
100C88.1Confident90.5Very high20 Ų2076.3 Ų76.314%0.13540%0.403CS..  trans-102.6112.1172.6-68.80000107.6Q102 C110C100-Q102 VanDerWaalsContact CB-O 3.28Å; C100-Q102 WeakPolarHBondContact CB-O 3.3Å; C100-Q102 PolarHBondContact O-N 2.81Å; C100-C110 HydrophobicContact CB-CB 3.94Å; C100-C110 WeakPolarHBondContact CB-SG 3.48Å; C100-C110 PolarHBondContact N-SG 2.74Å; C100-C110 WeakPolarHBondContact SG-CB 3.27Å; C100-C110 CovalentContact SG-SG 2.04Å; C100-C110 PolarHBondContact SG-SG 2.96Å
101L83.8Confident90.5Very high115 Ų11577 Ų7760%0.60241%0.414SS*.SBendtrans-54.8-37.8177.9-70.6170.6000111.2N114L101-N114 WeakPolarHBondContact CB-OD1 3.21Å; L101-N114 VanDerWaalsContact CG-OD1 3.26Å; L101-N114 WeakPolarHBondContact CG-OD1 3Å; L101-N114 PolarHBondContact N-OD1 3Å
102Q87.2Confident90.3Very high121 Ų12175.5 Ų75.557%0.56541%0.406SS*.SBendtrans-104.9128.7168.5-64.3-59-48.800108.7C100 C104 H126C100-Q102 VanDerWaalsContact CB-O 3.28Å; C100-Q102 WeakPolarHBondContact CB-O 3.3Å; C100-Q102 PolarHBondContact O-N 2.81Å; Q102-C104 PolarHBondContact O-N 3.1Å; Q102-H126 VanDerWaalsContact CB-CE1 3.48Å; Q102-H126 WeakPolarHBondContact CB-CE1 3.46Å
103K89.3Confident90.1Very high183 Ų18375.8 Ų75.880%0.79641%0.405SS*.PPolyproline II helixtrans-62.8133.4179.8-67.9-172.8178.6-176.10110.3K105K103-K105 PolarHBondContact O-N 3.46Å
104C93.4Very high89.9Confident25 Ų2569.8 Ų69.817%0.16938%0.382CS..PPolyproline II helixtrans-60.6127.9168-51.40000109Q102 G108 C116Q102-C104 PolarHBondContact O-N 3.1Å; C104-G108 VanDerWaalsContact CB-C 3.48Å; C104-G108 VanDerWaalsContact CB-O 3.23Å; C104-G108 WeakPolarHBondContact CB-O 3.43Å; C104-C116 WeakPolarHBondContact CA-SG 3.42Å; C104-C116 HydrophobicContact CB-CB 3.77Å; C104-C116 WeakPolarHBondContact CB-SG 3.32Å; C104-C116 VanDerWaalsContact SG-CA 3.57Å; C104-C116 WeakPolarHBondContact SG-CB 2.99Å; C104-C116 CovalentContact SG-SG 2.03Å; C104-C116 PolarHBondContact SG-SG 2.04Å
105K94.1Very high90Very high124 Ų12468.9 Ų68.954%0.53939%0.387SS..PPolyproline II helixtrans-90.6169.6-178.4-63.3-170.6176.7-174.30110.9K103 G107 G108 H126 C127 Q128K103-K105 PolarHBondContact O-N 3.46Å; K105-G107 PolarHBondContact O-N 3.45Å; K105-G107 VanDerWaalsContact O-N 3.07Å; K105-G108 PolarHBondContact O-N 3.23Å; K105-H126 WeakPolarHBondContact CB-O 3.37Å; K105-H126 PolarHBondContact N-O 3.48Å; K105-C127 WeakPolarHBondContact O-CB 3.34Å; K105-Q128 HydrophobicContact CD-CB 4.3Å
106N93.9Very high90.1Very high77 Ų7769.7 Ų69.741%0.41239%0.392SS..THydrogen-bonded Turntrans5433.3169.5-54.3-52.5000114.7P119 W122 C127N106-P119 VanDerWaalsContact O-CG 3.24Å; N106-P119 WeakPolarHBondContact O-CG 3.01Å; N106-W122 HydrophobicContact CB-CD2 3.61Å; N106-W122 VanDerWaalsContact CB-CE2 3.46Å; N106-W122 HydrophobicContact CB-CE3 4.06Å; N106-W122 HydrophobicContact CB-CG 4.02Å; N106-W122 HydrophobicContact CB-CH2 4.24Å; N106-W122 HydrophobicContact CB-CZ2 3.8Å; N106-W122 HydrophobicContact CB-CZ3 4.37Å; N106-W122 VanDerWaalsContact CG-CH2 3.46Å; N106-W122 VanDerWaalsContact CG-CZ2 3.49Å; N106-W122 WeakPolarHBondContact ND2-CH2 3.23Å; N106-W122 WeakPolarHBondContact ND2-CZ3 3.04Å; N106-C127 PolarHBondContact ND2-O 2.74Å
107G92.2Very high90.3Very high73 Ų7371.8 Ų71.875%0.75340%0.4SS*.THydrogen-bonded Turntrans83.112.7-179.400000115K105K105-G107 PolarHBondContact O-N 3.45Å; K105-G107 VanDerWaalsContact O-N 3.07Å
108G94.3Very high90.6Very high16 Ų1668.2 Ų68.217%0.16538%0.384CS..  trans-65.3147.3172.600000113.1C104 K105 H117C104-G108 VanDerWaalsContact CB-C 3.48Å; C104-G108 VanDerWaalsContact CB-O 3.23Å; C104-G108 WeakPolarHBondContact CB-O 3.43Å; K105-G108 PolarHBondContact O-N 3.23Å; G108-H117 CarbonylContact C-O 3.59Å; G108-H117 VanDerWaalsContact CA-O 3.24Å; G108-H117 WeakPolarHBondContact CA-O 3.21Å
109E93.3Very high90.9Very high130 Ų13068.3 Ų68.361%0.60739%0.385SS*.EExtended strand (participates in β ladder)trans-107.2139-179.6-171.8175.6-178.500110.9V111 C116 H117E109-V111 HydrophobicContact CB-CG1 4.43Å; E109-V111 HydrophobicContact CG-CG1 4.31Å; E109-V111 PolarHBondContact O-N 2.9Å; E109-C116 CarbonylContact O-C 3.59Å; E109-C116 WeakPolarHBondContact O-CA 3.19Å; E109-H117 PolarHBondContact N-O 2.78Å; E109-H117 PolarHBondContact O-N 3.29Å
110C93Very high91.1Very high36 Ų3670.4 Ų70.424%0.24341%0.408CS..EExtended strand (participates in β ladder)trans-81.4107.6175.7-168.80000109.8P98 V99 C100 G112P98-C110 WeakPolarHBondContact CG-O 3.03Å; V99-C110 VanDerWaalsContact C-SG 3.51Å; C100-C110 HydrophobicContact CB-CB 3.94Å; C100-C110 WeakPolarHBondContact CB-SG 3.48Å; C100-C110 PolarHBondContact N-SG 2.74Å; C100-C110 WeakPolarHBondContact SG-CB 3.27Å; C100-C110 CovalentContact SG-SG 2.04Å; C100-C110 PolarHBondContact SG-SG 2.96Å; C110-G112 PolarHBondContact SG-O 2.03Å
111V90.9Very high91.4Very high78 Ų7870.4 Ų70.447%0.47341%0.412SS..EExtended strand (participates in β ladder)trans-107.5-10.1-174.4-63.40000113.4E109 T115 H117E109-V111 HydrophobicContact CB-CG1 4.43Å; E109-V111 HydrophobicContact CG-CG1 4.31Å; E109-V111 PolarHBondContact O-N 2.9Å; V111-T115 HydrophobicContact CG2-CG2 4.18Å; V111-T115 PolarHBondContact N-O 2.77Å; V111-H117 HydrophobicContact CB-CB 4.4Å; V111-H117 HydrophobicContact CG1-CB 3.56Å; V111-H117 HydrophobicContact CG2-CB 3.91Å
112G86.8Confident91.9Very high12 Ų1267.3 Ų67.312%0.12439%0.392CS..EExtended strand (participates in β ladder)trans-157.6176.1178.100000111.5C110 N114 T115C110-G112 PolarHBondContact SG-O 2.03Å; G112-N114 PolarHBondContact O-N 3.15Å; G112-T115 PolarHBondContact N-O 3.33Å; G112-T115 PolarHBondContact O-N 3.25Å
113A84.4Confident92.2Very high36 Ų3666 Ų6630%0.29839%0.385SS..THydrogen-bonded Turntrans-57.7105.5177.200000111.2G89 W90 T115G89-A113 WeakPolarHBondContact O-CA 3.22Å; W90-A113 HydrophobicContact CZ2-CB 4.26Å; A113-T115 PolarHBondContact O-N 3.07Å; A113-T115 PolarHBondContact O-OG1 2.95Å
114N84.4Confident92.4Very high51 Ų5159.1 Ų59.127%0.27337%0.367SS..THydrogen-bonded Turntrans56.824.2-172.4-58.7-43.7000115.1V99 L101 G112V99-N114 PolarHBondContact O-N 3.16Å; L101-N114 WeakPolarHBondContact CB-OD1 3.21Å; L101-N114 VanDerWaalsContact CG-OD1 3.26Å; L101-N114 WeakPolarHBondContact CG-OD1 3Å; L101-N114 PolarHBondContact N-OD1 3Å; G112-N114 PolarHBondContact O-N 3.15Å
115T90.1Very high92.3Very high76 Ų7663.3 Ų63.347%0.46639%0.387SS..EExtended strand (participates in β ladder)trans-111.9117.3179.8-560000110.2V111 G112 A113V111-T115 HydrophobicContact CG2-CG2 4.18Å; V111-T115 PolarHBondContact N-O 2.77Å; G112-T115 PolarHBondContact N-O 3.33Å; G112-T115 PolarHBondContact O-N 3.25Å; A113-T115 PolarHBondContact O-N 3.07Å; A113-T115 PolarHBondContact O-OG1 2.95Å
116C94.3Very high92.3Very high18 Ų1859.6 Ų59.612%0.12237%0.371CS..EExtended strand (participates in β ladder)trans-95.5132.7175.5-63.90000111.2C104 E109C104-C116 WeakPolarHBondContact CA-SG 3.42Å; C104-C116 HydrophobicContact CB-CB 3.77Å; C104-C116 WeakPolarHBondContact CB-SG 3.32Å; C104-C116 VanDerWaalsContact SG-CA 3.57Å; C104-C116 WeakPolarHBondContact SG-CB 2.99Å; C104-C116 CovalentContact SG-SG 2.03Å; C104-C116 PolarHBondContact SG-SG 2.04Å; E109-C116 CarbonylContact O-C 3.59Å; E109-C116 WeakPolarHBondContact O-CA 3.19Å
117H95.6Very high92.3Very high118 Ų11855.9 Ų55.955%0.54635%0.352SS..EExtended strand (participates in β ladder)trans-86118.4161.4-178.268.8000108.6G108 E109 V111G108-H117 CarbonylContact C-O 3.59Å; G108-H117 VanDerWaalsContact CA-O 3.24Å; G108-H117 WeakPolarHBondContact CA-O 3.21Å; E109-H117 PolarHBondContact N-O 2.78Å; E109-H117 PolarHBondContact O-N 3.29Å; V111-H117 HydrophobicContact CB-CB 4.4Å; V111-H117 HydrophobicContact CG1-CB 3.56Å; V111-H117 HydrophobicContact CG2-CB 3.91Å
118C95.7Very high92.4Very high29 Ų2956.3 Ų56.320%0.19633%0.334CS..PPolyproline II helixtrans-93.1138.3-175.8-57.70000111.8W122 C127C118-W122 HydrophobicContact CB-CB 4.28Å; C118-W122 VanDerWaalsContact CB-O 3.3Å; C118-W122 WeakPolarHBondContact CB-O 3.3Å; C118-C127 WeakPolarHBondContact CA-SG 3.24Å; C118-C127 HydrophobicContact CB-CB 3.71Å; C118-C127 WeakPolarHBondContact CB-SG 3.43Å; C118-C127 WeakPolarHBondContact SG-CA 3.43Å; C118-C127 WeakPolarHBondContact SG-CB 3.42Å; C118-C127 CovalentContact SG-SG 2.04Å; C118-C127 PolarHBondContact SG-SG 2.97Å
119P95.1Very high92.4Very high44 Ų4458.2 Ų58.229%0.28634%0.343SS..PPolyproline II helixtrans-67.4162.4173.126.4-29.7000110.7N106 G121 W122N106-P119 VanDerWaalsContact O-CG 3.24Å; N106-P119 WeakPolarHBondContact O-CG 3.01Å; P119-G121 PolarHBondContact O-N 3.49Å; P119-W122 HydrophobicContact CG-CG 4.48Å; P119-W122 PolarHBondContact O-N 2.97Å
120A93.8Very high92.5Very high97 Ų9753.1 Ų53.180%0.80232%0.321SS*.THydrogen-bonded Turntrans-53131-179.600000111.7
121G93.7Very high92.5Very high20 Ų2053.1 Ų53.121%0.20632%0.321CS..THydrogen-bonded Turntrans849.5-178.300000115P119 P130 S131 P145P119-G121 PolarHBondContact O-N 3.49Å; G121-P130 CarbonylContact O-C 3.6Å; G121-P130 WeakPolarHBondContact O-CA 3.43Å; G121-S131 WeakPolarHBondContact CA-O 3.08Å; G121-S131 PolarHBondContact O-N 2.73Å; G121-P145 WeakPolarHBondContact O-CG 2.99Å
122W95.5Very high92.6Very high49 Ų4950.5 Ų50.519%0.18631%0.306CS..EExtended strand (participates in β ladder)trans-126.2146.2170.3-65.593.4000111.4N106 C118 P119 C127 T129 P130 L144 P145N106-W122 HydrophobicContact CB-CD2 3.61Å; N106-W122 VanDerWaalsContact CB-CE2 3.46Å; N106-W122 HydrophobicContact CB-CE3 4.06Å; N106-W122 HydrophobicContact CB-CG 4.02Å; N106-W122 HydrophobicContact CB-CH2 4.24Å; N106-W122 HydrophobicContact CB-CZ2 3.8Å; N106-W122 HydrophobicContact CB-CZ3 4.37Å; N106-W122 VanDerWaalsContact CG-CH2 3.46Å; N106-W122 VanDerWaalsContact CG-CZ2 3.49Å; N106-W122 WeakPolarHBondContact ND2-CH2 3.23Å; N106-W122 WeakPolarHBondContact ND2-CZ3 3.04Å; C118-W122 HydrophobicContact CB-CB 4.28Å; C118-W122 VanDerWaalsContact CB-O 3.3Å; C118-W122 WeakPolarHBondContact CB-O 3.3Å; P119-W122 HydrophobicContact CG-CG 4.48Å; P119-W122 PolarHBondContact O-N 2.97Å; W122-C127 HydrophobicContact CB-CB 4.25Å; W122-T129 CarbonylContact C-O 3.55Å; W122-T129 WeakPolarHBondContact CA-O 3.45Å; W122-P130 HydrophobicContact CE3-CB 4.21Å; W122-P130 HydrophobicContact CH2-CB 4.33Å; W122-P130 HydrophobicContact CZ3-CB 3.93Å; W122-P130 HydrophobicContact CZ3-CG 4.39Å; W122-L144 HydrophobicContact CH2-CD2 4.48Å; W122-L144 HydrophobicContact CZ2-CD2 4.49Å; W122-P145 HydrophobicContact CD2-CG 4.45Å; W122-P145 HydrophobicContact CZ2-CG 4.08Å
123E93.6Very high92.8Very high93 Ų9360 Ų6044%0.43534%0.338SS..EExtended strand (participates in β ladder)trans-146.3177-178.568.7-169.7-169.700111.4C127 Q128 T129 S131E123-C127 CarbonylContact O-C 3.49Å; E123-C127 WeakPolarHBondContact O-CA 3.44Å; E123-Q128 PolarHBondContact O-N 2.94Å; E123-T129 HydrophobicContact CG-CG2 3.88Å; E123-T129 PolarHBondContact N-O 3.12Å; E123-T129 WeakPolarHBondContact O-CB 3.42Å; E123-T129 PolarHBondContact O-N 3.2Å; E123-S131 VanDerWaalsContact OE2-CB 3.3Å; E123-S131 WeakPolarHBondContact OE2-CB 3.07Å; E123-S131 PolarHBondContact OE2-OG 3.07Å
124G92.1Very high93.1Very high39 Ų3966.2 Ų66.240%0.40235%0.354SS..SBendtrans90.6167.1-174.100000113.2H126 C127G124-H126 PolarHBondContact O-N 2.81Å; G124-H126 VanDerWaalsContact O-N 3.1Å; G124-C127 PolarHBondContact O-N 2.81Å; G124-C127 VanDerWaalsContact O-N 3.11Å
125L91.3Very high93.5Very high114 Ų11468.2 Ų68.260%0.59737%0.369SS*.THydrogen-bonded Turntrans-57.7-29.3-171.7-173.264.6000114.1
126H93.6Very high93.7Very high45 Ų4565.8 Ų65.821%0.20836%0.356CS..THydrogen-bonded Turntrans-122.621.4-178.8-51.2-50000111.9Q102 K105 G124 Q128Q102-H126 VanDerWaalsContact CB-CE1 3.48Å; Q102-H126 WeakPolarHBondContact CB-CE1 3.46Å; K105-H126 WeakPolarHBondContact CB-O 3.37Å; K105-H126 PolarHBondContact N-O 3.48Å; G124-H126 PolarHBondContact O-N 2.81Å; G124-H126 VanDerWaalsContact O-N 3.1Å; H126-Q128 VanDerWaalsContact C-OE1 3.29Å; H126-Q128 PolarHBondContact O-N 3.48Å
127C95.3Very high93.7Very high0 Ų068.7 Ų68.70%037%0.37CS..SBendtrans55.934.4-177.2-45.40000113K105 N106 C118 W122 E123 G124K105-C127 WeakPolarHBondContact O-CB 3.34Å; N106-C127 PolarHBondContact ND2-O 2.74Å; C118-C127 WeakPolarHBondContact CA-SG 3.24Å; C118-C127 HydrophobicContact CB-CB 3.71Å; C118-C127 WeakPolarHBondContact CB-SG 3.43Å; C118-C127 WeakPolarHBondContact SG-CA 3.43Å; C118-C127 WeakPolarHBondContact SG-CB 3.42Å; C118-C127 CovalentContact SG-SG 2.04Å; C118-C127 PolarHBondContact SG-SG 2.97Å; W122-C127 HydrophobicContact CB-CB 4.25Å; E123-C127 CarbonylContact O-C 3.49Å; E123-C127 WeakPolarHBondContact O-CA 3.44Å; G124-C127 PolarHBondContact O-N 2.81Å; G124-C127 VanDerWaalsContact O-N 3.11Å
128Q94.3Very high93.7Very high82 Ų8266.8 Ų66.838%0.38336%0.363SS..  trans-88.8-20-174.273.7-82.415.500113.5K105 E123 H126K105-Q128 HydrophobicContact CD-CB 4.3Å; E123-Q128 PolarHBondContact O-N 2.94Å; H126-Q128 VanDerWaalsContact C-OE1 3.29Å; H126-Q128 PolarHBondContact O-N 3.48Å
129T94.1Very high93.5Very high56 Ų5667.8 Ų67.834%0.34438%0.379SS..EExtended strand (participates in β ladder)trans-99.9123.9-174.7-56.80000108.7W122 E123W122-T129 CarbonylContact C-O 3.55Å; W122-T129 WeakPolarHBondContact CA-O 3.45Å; E123-T129 HydrophobicContact CG-CG2 3.88Å; E123-T129 PolarHBondContact N-O 3.12Å; E123-T129 WeakPolarHBondContact O-CB 3.42Å; E123-T129 PolarHBondContact O-N 3.2Å
130P94.4Very high93.5Very high23 Ų2366.4 Ų66.415%0.14937%0.372CS..EExtended strand (participates in β ladder)trans-71.4136.1172.230.1-33.7000109.7G121 W122 C142G121-P130 CarbonylContact O-C 3.6Å; G121-P130 WeakPolarHBondContact O-CA 3.43Å; W122-P130 HydrophobicContact CE3-CB 4.21Å; W122-P130 HydrophobicContact CH2-CB 4.33Å; W122-P130 HydrophobicContact CZ3-CB 3.93Å; W122-P130 HydrophobicContact CZ3-CG 4.39Å; P130-C142 WeakPolarHBondContact CG-O 3.33Å
131S94.1Very high93.5Very high36 Ų3670.5 Ų70.525%0.25237%0.367SS..  trans-110.8129.7177.5-163.20000109.2G121 E123G121-S131 WeakPolarHBondContact CA-O 3.08Å; G121-S131 PolarHBondContact O-N 2.73Å; E123-S131 VanDerWaalsContact OE2-CB 3.3Å; E123-S131 WeakPolarHBondContact OE2-CB 3.07Å; E123-S131 PolarHBondContact OE2-OG 3.07Å
132C91.9Very high93.6Very high23 Ų2370.8 Ų70.816%0.15537%0.366CS..  trans-105.4125.1178.5-75.60000108.4R134 C142C132-R134 VanDerWaalsContact CB-O 3.29Å; C132-R134 WeakPolarHBondContact CB-O 3.35Å; C132-R134 PolarHBondContact O-N 3.32Å; C132-C142 HydrophobicContact CB-CB 3.96Å; C132-C142 WeakPolarHBondContact CB-SG 3.42Å; C132-C142 PolarHBondContact N-SG 3.45Å; C132-C142 WeakPolarHBondContact SG-CB 2.99Å; C132-C142 CovalentContact SG-SG 2.04Å; C132-C142 PolarHBondContact SG-SG 2.98Å
133R91Very high93.5Very high210 Ų21070.7 Ų70.779%0.79237%0.37SS*.SBendtrans-59.7-31.4178.2-74.2-177-94.4-157.1-9.6112.3D146R133-D146 WeakPolarHBondContact CB-OD1 3.12Å; R133-D146 IonicContact CZ-OD2 3.24Å; R133-D146 VanDerWaalsContact CZ-OD2 3.24Å; R133-D146 PolarHBondContact N-OD1 2.03Å; R133-D146 IonicContact NE-OD1 3.62Å; R133-D146 IonicContact NE-OD2 2.84Å; R133-D146 PolarHBondContact NE-OD2 3.18Å; R133-D146 IonicContact NH2-OD2 2.77Å; R133-D146 PolarHBondContact NH2-OD2 3.13Å
134R91.8Very high93.4Very high168 Ų16870.6 Ų70.663%0.63437%0.372SS*.SBendtrans-107.9129.1171.7-62-178.2178.9-167.6-0.5108.8C132 T158C132-R134 VanDerWaalsContact CB-O 3.29Å; C132-R134 WeakPolarHBondContact CB-O 3.35Å; C132-R134 PolarHBondContact O-N 3.32Å; R134-T158 HydrophobicContact CB-CG2 3.59Å; R134-T158 HydrophobicContact CG-CG2 4.43Å
135P92.8Very high93.4Very high92 Ų9271 Ų7160%0.59737%0.368SS*.PPolyproline II helixtrans-64.3139.918025.8-33.1000110.7L137P135-L137 HydrophobicContact CG-CD2 4.42Å; P135-L137 PolarHBondContact O-N 2.03Å
136C94.3Very high93.3Very high26 Ų2668.1 Ų68.118%0.17635%0.353CS..PPolyproline II helixtrans-74117.1171.2-52.60000109.1G140 C142 C148C136-G140 WeakPolarHBondContact CB-O 3.33Å; C136-C142 PolarHBondContact SG-N 2.86Å; C136-C142 VanDerWaalsContact SG-N 3.42Å; C136-C148 WeakPolarHBondContact CA-SG 3.38Å; C136-C148 HydrophobicContact CB-CB 3.76Å; C136-C148 WeakPolarHBondContact CB-SG 3.47Å; C136-C148 VanDerWaalsContact SG-CA 3.54Å; C136-C148 WeakPolarHBondContact SG-CB 3.26Å; C136-C148 CovalentContact SG-SG 2.03Å; C136-C148 PolarHBondContact SG-SG 3.23Å
137L95.1Very high93.3Very high79 Ų7972.3 Ų72.341%0.41437%0.368SS..PPolyproline II helixtrans-87.7173-177.4-56.5-179.1000111.5P135 G139 G140 T158 C159 A160P135-L137 HydrophobicContact CG-CD2 4.42Å; P135-L137 PolarHBondContact O-N 2.03Å; L137-G139 PolarHBondContact O-N 3.02Å; L137-G139 VanDerWaalsContact O-N 3.1Å; L137-G140 PolarHBondContact O-N 2.96Å; L137-T158 WeakPolarHBondContact CB-O 3.42Å; L137-T158 PolarHBondContact N-O 3.31Å; L137-C159 WeakPolarHBondContact O-CB 3.08Å; L137-A160 HydrophobicContact CD1-CB 4.06Å
138N94.4Very high93.3Very high78 Ų7873 Ų7342%0.41737%0.372SS..THydrogen-bonded Turntrans53.534.2174.3-58.8-52.6000114.1G140 F154 C159N138-G140 VanDerWaalsContact C-N 3.3Å; N138-G140 PolarHBondContact O-N 3.25Å; N138-F154 HydrophobicContact CB-CD1 3.58Å; N138-F154 HydrophobicContact CB-CD2 4Å; N138-F154 HydrophobicContact CB-CE1 3.51Å; N138-F154 HydrophobicContact CB-CE2 3.94Å; N138-F154 HydrophobicContact CB-CG 3.83Å; N138-F154 HydrophobicContact CB-CZ 3.7Å; N138-F154 WeakPolarHBondContact ND2-CD1 3.26Å; N138-F154 WeakPolarHBondContact ND2-CE1 3.42Å; N138-C159 PolarHBondContact ND2-O 2.97Å
139G91.9Very high93.4Very high50 Ų5074.5 Ų74.552%0.51538%0.379SS..THydrogen-bonded Turntrans7317.9179.900000114.7L137 R151L137-G139 PolarHBondContact O-N 3.02Å; L137-G139 VanDerWaalsContact O-N 3.1Å; G139-R151 PolarHBondContact O-NE 3.18Å
140G94.1Very high93.4Very high15 Ų1573.3 Ų73.316%0.15537%0.373CS..  trans-66.8155.5167.300000111.9C136 L137 N138 H149C136-G140 WeakPolarHBondContact CB-O 3.33Å; L137-G140 PolarHBondContact O-N 2.96Å; N138-G140 VanDerWaalsContact C-N 3.3Å; N138-G140 PolarHBondContact O-N 3.25Å; G140-H149 CarbonylContact C-O 3.47Å; G140-H149 WeakPolarHBondContact CA-O 3.05Å
141R94.8Very high93.4Very high182 Ų18280.3 Ų80.369%0.68740%0.396SS*.EExtended strand (participates in β ladder)trans-118.6134.5-179.3-166.9175.578.1159.73.1110.8V143 H149R141-V143 HydrophobicContact CB-CG1 4.45Å; R141-V143 PolarHBondContact O-N 2.03Å; R141-H149 PolarHBondContact N-O 3.01Å; R141-H149 PolarHBondContact O-N 3.47Å
142C95Very high93.4Very high27 Ų2790.6 Ų90.618%0.18243%0.43CS..EExtended strand (participates in β ladder)trans-68.5118.8168.4-164.90000108.1P130 C132 C136 L144P130-C142 WeakPolarHBondContact CG-O 3.33Å; C132-C142 HydrophobicContact CB-CB 3.96Å; C132-C142 WeakPolarHBondContact CB-SG 3.42Å; C132-C142 PolarHBondContact N-SG 3.45Å; C132-C142 WeakPolarHBondContact SG-CB 2.99Å; C132-C142 CovalentContact SG-SG 2.04Å; C132-C142 PolarHBondContact SG-SG 2.98Å; C136-C142 PolarHBondContact SG-N 2.86Å; C136-C142 VanDerWaalsContact SG-N 3.42Å; C142-L144 PolarHBondContact SG-O 2.85Å; C142-L144 VanDerWaalsContact SG-O 3.36Å
143V94.1Very high93.4Very high46 Ų4691.4 Ų91.428%0.27944%0.442SS..EExtended strand (participates in β ladder)trans-115.9-19.4-179-62.40000112.8R141 Y147 H149R141-V143 HydrophobicContact CB-CG1 4.45Å; R141-V143 PolarHBondContact O-N 2.03Å; V143-Y147 HydrophobicContact CG2-CD1 3.47Å; V143-Y147 VanDerWaalsContact CG2-CD1 3.47Å; V143-Y147 HydrophobicContact CG2-CE1 3.74Å; V143-Y147 PolarHBondContact N-O 3.04Å; V143-Y147 VanDerWaalsContact N-O 3.15Å; V143-H149 HydrophobicContact CG1-CB 3.78Å; V143-H149 HydrophobicContact CG2-CB 3.98Å
144L91.1Very high93.5Very high92 Ų9284 Ų8448%0.48242%0.415SS..EExtended strand (participates in β ladder)trans-144.7162171.3-73.2169.7000108.3W122 C142 D146 Y147W122-L144 HydrophobicContact CH2-CD2 4.48Å; W122-L144 HydrophobicContact CZ2-CD2 4.49Å; C142-L144 PolarHBondContact SG-O 2.85Å; C142-L144 VanDerWaalsContact SG-O 3.36Å; L144-D146 PolarHBondContact O-N 3.49Å; L144-D146 VanDerWaalsContact O-N 3.16Å; L144-Y147 PolarHBondContact O-N 3.28Å
145P91.9Very high93.6Very high47 Ų4781.2 Ų81.231%0.30541%0.408SS..THydrogen-bonded Turntrans-46.4121.5173.6-30.536000112.1G121 W122 Y147G121-P145 WeakPolarHBondContact O-CG 2.99Å; W122-P145 HydrophobicContact CD2-CG 4.45Å; W122-P145 HydrophobicContact CZ2-CG 4.08Å; P145-Y147 PolarHBondContact O-N 3.3Å
146D89.3Confident93.5Very high54 Ų5478.6 Ų78.629%0.28940%0.398SS..THydrogen-bonded Turntrans55.319.7-179.3-64.5-39.4000116R133 L144R133-D146 WeakPolarHBondContact CB-OD1 3.12Å; R133-D146 IonicContact CZ-OD2 3.24Å; R133-D146 VanDerWaalsContact CZ-OD2 3.24Å; R133-D146 PolarHBondContact N-OD1 2.03Å; R133-D146 IonicContact NE-OD1 3.62Å; R133-D146 IonicContact NE-OD2 2.84Å; R133-D146 PolarHBondContact NE-OD2 3.18Å; R133-D146 IonicContact NH2-OD2 2.77Å; R133-D146 PolarHBondContact NH2-OD2 3.13Å; L144-D146 PolarHBondContact O-N 3.49Å; L144-D146 VanDerWaalsContact O-N 3.16Å
147Y93.4Very high93.3Very high133 Ų13383 Ų8352%0.52242%0.419SS..EExtended strand (participates in β ladder)trans-121.7113.9177.1-179-88.4000111.7V143 L144 P145V143-Y147 HydrophobicContact CG2-CD1 3.47Å; V143-Y147 VanDerWaalsContact CG2-CD1 3.47Å; V143-Y147 HydrophobicContact CG2-CE1 3.74Å; V143-Y147 PolarHBondContact N-O 3.04Å; V143-Y147 VanDerWaalsContact N-O 3.15Å; L144-Y147 PolarHBondContact O-N 3.28Å; P145-Y147 PolarHBondContact O-N 3.3Å
148C95.1Very high93.2Very high13 Ų1380.6 Ų80.69%0.08841%0.408CS..EExtended strand (participates in β ladder)trans-93125177.6-670000111.6C136 C150 L157C136-C148 WeakPolarHBondContact CA-SG 3.38Å; C136-C148 HydrophobicContact CB-CB 3.76Å; C136-C148 WeakPolarHBondContact CB-SG 3.47Å; C136-C148 VanDerWaalsContact SG-CA 3.54Å; C136-C148 WeakPolarHBondContact SG-CB 3.26Å; C136-C148 CovalentContact SG-SG 2.03Å; C136-C148 PolarHBondContact SG-SG 3.23Å; C148-C150 PolarHBondContact O-N 2.04Å; C148-L157 WeakPolarHBondContact CB-O 3.14Å; C148-L157 PolarHBondContact SG-O 3.29Å
149H95.9Very high93.3Very high115 Ų11576.9 Ų76.953%0.53239%0.388SS..EExtended strand (participates in β ladder)trans-81.7112.7164.2-176.674000109.6G140 R141 V143G140-H149 CarbonylContact C-O 3.47Å; G140-H149 WeakPolarHBondContact CA-O 3.05Å; R141-H149 PolarHBondContact N-O 3.01Å; R141-H149 PolarHBondContact O-N 3.47Å; V143-H149 HydrophobicContact CG1-CB 3.78Å; V143-H149 HydrophobicContact CG2-CB 3.98Å
150C95.2Very high93.4Very high30 Ų3076.9 Ų76.920%0.20338%0.383CS..PPolyproline II helixtrans-84.7145.1-177.4-55.40000112.5C148 F154 C159C148-C150 PolarHBondContact O-N 2.04Å; C150-F154 HydrophobicContact CB-CB 4.3Å; C150-F154 VanDerWaalsContact CB-O 3.29Å; C150-F154 WeakPolarHBondContact CB-O 3.43Å; C150-C159 WeakPolarHBondContact CA-SG 3.06Å; C150-C159 HydrophobicContact CB-CB 3.76Å; C150-C159 WeakPolarHBondContact CB-SG 3.43Å; C150-C159 WeakPolarHBondContact SG-CA 3.01Å; C150-C159 WeakPolarHBondContact SG-CB 3.45Å; C150-C159 CovalentContact SG-SG 2.04Å; C150-C159 PolarHBondContact SG-SG 3.3Å
151R94.5Very high93.4Very high171 Ų17180.6 Ų80.665%0.64540%0.398SS*.PPolyproline II helixtrans-67.3156.3167-74.6-170.8179.9-143.80.7110.5G139 G153 F154G139-R151 PolarHBondContact O-NE 3.18Å; R151-G153 PolarHBondContact O-N 3.07Å; R151-F154 PolarHBondContact O-N 3.03Å
152R93.4Very high93.2Very high252 Ų25279.8 Ų79.895%0.95140%0.4SS*.THydrogen-bonded Turntrans-50.9135.1174.5-70.8-175.9176.3165.9-1.4110.4
153G92.1Very high92.8Very high40 Ų4080.1 Ų80.141%0.41240%0.404SS..THydrogen-bonded Turntrans862.5-176.600000114.9R151 K162 A163R151-G153 PolarHBondContact O-N 3.07Å; G153-K162 CarbonylContact O-C 3.51Å; G153-K162 WeakPolarHBondContact O-CA 3.32Å; G153-A163 PolarHBondContact O-N 2.76Å
154F94.3Very high92.1Very high54 Ų5482.9 Ų82.924%0.23743%0.426CS..EExtended strand (participates in β ladder)trans-128146173.5-63.7-85.6000111.8N138 C150 R151 C159 I161 K162N138-F154 HydrophobicContact CB-CD1 3.58Å; N138-F154 HydrophobicContact CB-CD2 4Å; N138-F154 HydrophobicContact CB-CE1 3.51Å; N138-F154 HydrophobicContact CB-CE2 3.94Å; N138-F154 HydrophobicContact CB-CG 3.83Å; N138-F154 HydrophobicContact CB-CZ 3.7Å; N138-F154 WeakPolarHBondContact ND2-CD1 3.26Å; N138-F154 WeakPolarHBondContact ND2-CE1 3.42Å; C150-F154 HydrophobicContact CB-CB 4.3Å; C150-F154 VanDerWaalsContact CB-O 3.29Å; C150-F154 WeakPolarHBondContact CB-O 3.43Å; R151-F154 PolarHBondContact O-N 3.03Å; F154-C159 HydrophobicContact CB-CB 4.34Å; F154-I161 CarbonylContact C-O 3.53Å; F154-I161 VanDerWaalsContact CA-O 3.25Å; F154-I161 WeakPolarHBondContact CA-O 3.08Å; F154-K162 HydrophobicContact CD1-CG 4.09Å; F154-K162 HydrophobicContact CE1-CG 3.61Å; F154-K162 HydrophobicContact CZ-CG 4.31Å
155K92.9Very high90.7Very high109 Ų10988 Ų8847%0.47445%0.447SS..EExtended strand (participates in β ladder)trans-143.3174.9179.966.5-179179.1-177.70112C159 I161 A163K155-C159 WeakPolarHBondContact O-CA 3.36Å; K155-I161 HydrophobicContact CG-CB 3.98Å; K155-I161 HydrophobicContact CG-CG2 4.01Å; K155-I161 PolarHBondContact N-O 3.2Å; K155-I161 WeakPolarHBondContact O-CB 3.21Å; K155-I161 PolarHBondContact O-N 3.44Å; K155-A163 HydrophobicContact CB-CB 4.42Å; K155-A163 HydrophobicContact CD-CB 4.05Å; K155-A163 HydrophobicContact CG-CB 4.15Å
156G90.5Very high89Confident38 Ų3894 Ų9439%0.39250%0.501SS..SBendtrans91.9171.9-179.400000113.3T158 C159G156-T158 VanDerWaalsContact C-N 3.28Å; G156-T158 PolarHBondContact O-N 2.85Å; G156-C159 PolarHBondContact O-N 2.98Å; G156-C159 VanDerWaalsContact O-N 3.14Å
157L90.6Very high88.9Confident118 Ų11896.1 Ų96.162%0.61851%0.512SS*.THydrogen-bonded Turntrans-59.7-35.2-170.4-171.767.9000113.8C148C148-L157 WeakPolarHBondContact CB-O 3.14Å; C148-L157 PolarHBondContact SG-O 3.29Å
158T93.4Very high88.7Confident29 Ų2994.1 Ų94.118%0.17851%0.511CS..THydrogen-bonded Turntrans-110.711.5179.557.20000112.9R134 L137 G156 A160R134-T158 HydrophobicContact CB-CG2 3.59Å; R134-T158 HydrophobicContact CG-CG2 4.43Å; L137-T158 WeakPolarHBondContact CB-O 3.42Å; L137-T158 PolarHBondContact N-O 3.31Å; G156-T158 VanDerWaalsContact C-N 3.28Å; G156-T158 PolarHBondContact O-N 2.85Å; T158-A160 PolarHBondContact O-N 3.12Å; T158-A160 VanDerWaalsContact O-N 3.16Å
159C95.1Very high88.3Confident0 Ų098.6 Ų98.60%054%0.535CS..SBendtrans57.822.9-173.3-49.50000114.6L137 N138 C150 F154 K155 G156 I161L137-C159 WeakPolarHBondContact O-CB 3.08Å; N138-C159 PolarHBondContact ND2-O 2.97Å; C150-C159 WeakPolarHBondContact CA-SG 3.06Å; C150-C159 HydrophobicContact CB-CB 3.76Å; C150-C159 WeakPolarHBondContact CB-SG 3.43Å; C150-C159 WeakPolarHBondContact SG-CA 3.01Å; C150-C159 WeakPolarHBondContact SG-CB 3.45Å; C150-C159 CovalentContact SG-SG 2.04Å; C150-C159 PolarHBondContact SG-SG 3.3Å; F154-C159 HydrophobicContact CB-CB 4.34Å; K155-C159 WeakPolarHBondContact O-CA 3.36Å; G156-C159 PolarHBondContact O-N 2.98Å; G156-C159 VanDerWaalsContact O-N 3.14Å; C159-I161 VanDerWaalsContact C-N 3.34Å
160A94.4Very high87.9Confident49 Ų4997.6 Ų97.641%0.40554%0.535SS..  trans-72.7-26-179.400000113.3L137 T158L137-A160 HydrophobicContact CD1-CB 4.06Å; T158-A160 PolarHBondContact O-N 3.12Å; T158-A160 VanDerWaalsContact O-N 3.16Å
161I93.3Very high87.4Confident94 Ų94101.9 Ų101.948%0.48256%0.556SS.*EExtended strand (participates in β ladder)trans-91.8123.2-169.3-52.1171.6000108.8F154 K155 C159 A163F154-I161 CarbonylContact C-O 3.53Å; F154-I161 VanDerWaalsContact CA-O 3.25Å; F154-I161 WeakPolarHBondContact CA-O 3.08Å; K155-I161 HydrophobicContact CG-CB 3.98Å; K155-I161 HydrophobicContact CG-CG2 4.01Å; K155-I161 PolarHBondContact N-O 3.2Å; K155-I161 WeakPolarHBondContact O-CB 3.21Å; K155-I161 PolarHBondContact O-N 3.44Å; C159-I161 VanDerWaalsContact C-N 3.34Å; I161-A163 PolarHBondContact O-N 2.82Å
162K92.1Very high87Confident165 Ų16597.3 Ų97.372%0.71755%0.55SS*.EExtended strand (participates in β ladder)trans-65121.3167.3-78.5-179.7178.6177.10109G153 F154 S164G153-K162 CarbonylContact O-C 3.51Å; G153-K162 WeakPolarHBondContact O-CA 3.32Å; F154-K162 HydrophobicContact CD1-CG 4.09Å; F154-K162 HydrophobicContact CE1-CG 3.61Å; F154-K162 HydrophobicContact CZ-CG 4.31Å; K162-S164 PolarHBondContact O-N 2.8Å
163A85.3Confident86.5Confident34 Ų3486.2 Ų86.228%0.28152%0.521SS..  trans-73111.3168.600000107.2G153 K155 I161 Q165G153-A163 PolarHBondContact O-N 2.76Å; K155-A163 HydrophobicContact CB-CB 4.42Å; K155-A163 HydrophobicContact CD-CB 4.05Å; K155-A163 HydrophobicContact CG-CB 4.15Å; I161-A163 PolarHBondContact O-N 2.82Å; A163-Q165 PolarHBondContact O-N 3.06Å
164S79.4Confident86.1Confident104 Ų10489.8 Ų89.873%0.72753%0.529SS*.  trans-53.7132.4168.724.10000108.8K162 A166K162-S164 PolarHBondContact O-N 2.8Å; S164-A166 PolarHBondContact O-N 3.33Å
165Q62.7Low85.4Confident198 Ų19892.8 Ų92.893%0.92555%0.554SS**  trans-54.5122.8171.3-70.6168.3-10.600107.6A163A163-Q165 PolarHBondContact O-N 3.06Å
166A55.2Low84.7Confident175 Ų17591.3 Ų91.3100%1.44656%0.561SS**  trans-89.90159.400000107.4S164S164-A166 PolarHBondContact O-N 3.33Å

Retrieved 166 of 166 residues in 68.9 ms (Link to these results)