A0A087WS99_MOUSE Loading...

Fibronectin 1

AlphaFold DB , UniProt , Accession A0A087WS99, Species MOUSE (Mus musculus, Mouse), Gene Fn1, Length 200 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
1V94.9Very high93Very high22 Ų2257.1 Ų57.113%0.13337%0.372CS..  0134.6063.10000107.8Q13 R14 I16 Y23 I25 I36 H37 L38V1-Q13 WeakPolarHBondContact O-CA 3.44Å; V1-R14 HydrophobicContact CG1-CB 3.81Å; V1-R14 PolarHBondContact N-O 2.82Å; V1-R14 PolarHBondContact O-N 2.99Å; V1-I16 HydrophobicContact CB-CD1 4.03Å; V1-I16 HydrophobicContact CG1-CD1 3.65Å; V1-I16 HydrophobicContact CG1-CG1 4.14Å; V1-Y23 HydrophobicContact CG1-CD1 4.33Å; V1-Y23 HydrophobicContact CG1-CE1 4.22Å; V1-I25 HydrophobicContact CG1-CD1 4.45Å; V1-I25 HydrophobicContact CG1-CG1 4.4Å; V1-I25 HydrophobicContact CG2-CD1 3.9Å; V1-I36 HydrophobicContact CG2-CG2 3.57Å; V1-H37 CarbonylContact C-O 3.55Å; V1-H37 VanDerWaalsContact CA-O 3.32Å; V1-H37 WeakPolarHBondContact CA-O 3.38Å; V1-L38 HydrophobicContact CB-CD1 3.98Å; V1-L38 HydrophobicContact CG2-CD1 4.18Å
2D96Very high93.3Very high22 Ų2254.2 Ų54.212%0.11835%0.352CS..EExtended strand (participates in β ladder)trans-124.6120.9-175.5-51.2-13.1000107.4Q13 I36 H37 Y39 R46D2-Q13 WeakPolarHBondContact OD1-CG 3.39Å; D2-I36 CarbonylContact O-C 3.58Å; D2-I36 WeakPolarHBondContact O-CA 3.04Å; D2-H37 HydrophobicContact CB-CB 4.42Å; D2-H37 PolarHBondContact N-O 2.87Å; D2-H37 PolarHBondContact O-N 3.01Å; D2-Y39 HydrophobicContact CB-CE2 4.41Å; D2-Y39 WeakPolarHBondContact OD2-CE2 3.36Å; D2-R46 IonicContact OD2-CZ 3.32Å; D2-R46 IonicContact OD2-NH2 3.21Å; D2-R46 PolarHBondContact OD2-NH2 3.18Å
3A97.1Very high93.5Very high0 Ų060.2 Ų60.20%037%0.373CS..EExtended strand (participates in β ladder)trans-103.3108.3176.300000109.2P11 V12 I25 L28 Y34 I36A3-P11 CarbonylContact O-C 3.58Å; A3-P11 VanDerWaalsContact O-CA 3.26Å; A3-P11 WeakPolarHBondContact O-CA 3.42Å; A3-V12 HydrophobicContact CB-CB 4.36Å; A3-V12 PolarHBondContact N-O 2.83Å; A3-V12 PolarHBondContact O-N 2.86Å; A3-I25 HydrophobicContact CB-CD1 4.39Å; A3-I25 HydrophobicContact CB-CG2 4.41Å; A3-L28 HydrophobicContact CB-CD2 4.01Å; A3-Y34 HydrophobicContact CB-CD1 3.85Å; A3-Y34 HydrophobicContact CB-CE1 4.33Å; A3-I36 HydrophobicContact CB-CG1 4.43Å
4I97.1Very high93.6Very high60 Ų6062.5 Ų62.531%0.30837%0.371SS..EExtended strand (participates in β ladder)trans-99.4113.5-174.5-57.8164.9000108.6P11 Y34 K35 H37I4-P11 HydrophobicContact CG1-CB 4.11Å; I4-P11 HydrophobicContact CG1-CG 4.17Å; I4-P11 HydrophobicContact CG2-CG 4.43Å; I4-Y34 WeakPolarHBondContact O-CA 3.35Å; I4-K35 HydrophobicContact CB-CB 4.45Å; I4-K35 PolarHBondContact N-O 2.59Å; I4-K35 PolarHBondContact O-N 2.95Å; I4-H37 VanDerWaalsContact CD1-CE1 3.48Å; I4-H37 WeakPolarHBondContact CD1-CE1 3.42Å
5P96Very high93.7Very high6 Ų665.3 Ų65.34%0.03940%0.395CS..EExtended strand (participates in β ladder)trans-76.3139.3-178.831-34.1000111.4N7 G8 Q9 T32 Y34P5-N7 WeakPolarHBondContact CB-OD1 2.88Å; P5-N7 PolarHBondContact O-N 3.01Å; P5-G8 PolarHBondContact O-N 3.48Å; P5-Q9 HydrophobicContact CG-CB 3.77Å; P5-Q9 WeakPolarHBondContact CG-O 3.35Å; P5-T32 HydrophobicContact CB-CG2 3.92Å; P5-Y34 HydrophobicContact CB-CD1 3.96Å; P5-Y34 HydrophobicContact CB-CE1 3.51Å; P5-Y34 HydrophobicContact CG-CE1 4.14Å
6A91.8Very high93.7Very high82 Ų8264.5 Ų64.568%0.67839%0.387SS*.THydrogen-bonded Turntrans-68.6-15.1178.100000113.5G8 D33A6-G8 VanDerWaalsContact C-N 3.26Å; A6-G8 PolarHBondContact O-N 3.35Å; A6-D33 HydrophobicContact CB-CB 4.08Å; A6-D33 WeakPolarHBondContact CB-O 3.27Å; A6-D33 PolarHBondContact N-O 3.01Å
7N87.9Confident93.8Very high67 Ų6764.9 Ų64.936%0.35839%0.394SS..THydrogen-bonded Turntrans-83.44.7-179.369.69.3000113.9P5 Q9 Q29P5-N7 WeakPolarHBondContact CB-OD1 2.88Å; P5-N7 PolarHBondContact O-N 3.01Å; N7-Q9 VanDerWaalsContact C-N 3.34Å; N7-Q9 PolarHBondContact ND2-OE1 3.17Å; N7-Q9 PolarHBondContact O-N 3.29Å; N7-Q9 VanDerWaalsContact OD1-CB 3.25Å; N7-Q9 WeakPolarHBondContact OD1-CB 3.04Å; N7-Q9 VanDerWaalsContact OD1-CG 3.27Å; N7-Q9 WeakPolarHBondContact OD1-CG 3.43Å; N7-Q9 PolarHBondContact OD1-N 2.86Å; N7-Q29 PolarHBondContact ND2-OE1 3.12Å
8G85.8Confident93.8Very high74 Ų7467.8 Ų67.876%0.76341%0.414SS*.SBendtrans806.9177.800000115.3P5 A6P5-G8 PolarHBondContact O-N 3.48Å; A6-G8 VanDerWaalsContact C-N 3.26Å; A6-G8 PolarHBondContact O-N 3.35Å
9Q88.9Confident93.9Very high96 Ų9670.8 Ų70.845%0.44943%0.427SS..PPolyproline II helixtrans-72.5170.2173.3-71.6-178.2-20.300112.9P5 N7P5-Q9 HydrophobicContact CG-CB 3.77Å; P5-Q9 WeakPolarHBondContact CG-O 3.35Å; N7-Q9 VanDerWaalsContact C-N 3.34Å; N7-Q9 PolarHBondContact ND2-OE1 3.17Å; N7-Q9 PolarHBondContact O-N 3.29Å; N7-Q9 VanDerWaalsContact OD1-CB 3.25Å; N7-Q9 WeakPolarHBondContact OD1-CB 3.04Å; N7-Q9 VanDerWaalsContact OD1-CG 3.27Å; N7-Q9 WeakPolarHBondContact OD1-CG 3.43Å; N7-Q9 PolarHBondContact OD1-N 2.86Å
10T93Very high94Very high122 Ų12269.8 Ų69.875%0.74842%0.421SS*.PPolyproline II helixtrans-60.4130.2178.451.60000111.6
11P94.7Very high94Very high77 Ų7776.5 Ų76.550%0.544%0.439SS..PPolyproline II helixtrans-60.5148.1174.1-24.534.6000113A3 I4A3-P11 CarbonylContact O-C 3.58Å; A3-P11 VanDerWaalsContact O-CA 3.26Å; A3-P11 WeakPolarHBondContact O-CA 3.42Å; I4-P11 HydrophobicContact CG1-CB 4.11Å; I4-P11 HydrophobicContact CG1-CG 4.17Å; I4-P11 HydrophobicContact CG2-CG 4.43Å
12V96.1Very high94Very high22 Ų2280.5 Ų80.513%0.13347%0.468CS..EExtended strand (participates in β ladder)trans-96.3114.3172.4178.40000109.2A3 I25 L28A3-V12 HydrophobicContact CB-CB 4.36Å; A3-V12 PolarHBondContact N-O 2.83Å; A3-V12 PolarHBondContact O-N 2.86Å; V12-I25 HydrophobicContact CG1-CG2 4.21Å; V12-L28 HydrophobicContact CB-CD2 4.02Å; V12-L28 HydrophobicContact CG1-CD2 4.37Å; V12-L28 HydrophobicContact CG2-CD2 3.95Å
13Q95.8Very high94Very high132 Ų13284 Ų8462%0.61748%0.48SS*.EExtended strand (participates in β ladder)trans-104.5136.7178.8-177.7167.45.300111.5V1 D2V1-Q13 WeakPolarHBondContact O-CA 3.44Å; D2-Q13 WeakPolarHBondContact OD1-CG 3.39Å
14R95.4Very high93.9Very high93 Ų9389.1 Ų89.135%0.35151%0.512SS..  trans-137.8139176.1-61.3-67.3178.2-109.13.6111V1 Y23V1-R14 HydrophobicContact CG1-CB 3.81Å; V1-R14 PolarHBondContact N-O 2.82Å; V1-R14 PolarHBondContact O-N 2.99Å; R14-Y23 HydrophobicContact CB-CE1 3.96Å; R14-Y23 WeakPolarHBondContact CB-OH 3.36Å; R14-Y23 HydrophobicContact CG-CE1 4.16Å; R14-Y23 WeakPolarHBondContact CG-OH 3.47Å
15S94.3Very high93.9Very high105 Ų10587.8 Ų87.873%0.73451%0.505SS*.  trans-92.2139.4167-160.80000109.2
16I95.1Very high93.8Very high52 Ų5291.6 Ų91.627%0.26753%0.528SS..  trans-121.7135.7-176.6-56.9171.7000107.1V1 V20 Y23 L38V1-I16 HydrophobicContact CB-CD1 4.03Å; V1-I16 HydrophobicContact CG1-CD1 3.65Å; V1-I16 HydrophobicContact CG1-CG1 4.14Å; I16-V20 HydrophobicContact CG2-CB 3.65Å; I16-V20 HydrophobicContact CG2-CG1 3.74Å; I16-V20 HydrophobicContact CG2-CG2 4.29Å; I16-Y23 HydrophobicContact CD1-CD1 3.66Å; I16-Y23 HydrophobicContact CD1-CD2 4.14Å; I16-Y23 HydrophobicContact CD1-CE1 4.27Å; I16-Y23 HydrophobicContact CD1-CG 3.58Å; I16-Y23 HydrophobicContact CG1-CD1 3.97Å; I16-Y23 HydrophobicContact CG1-CD2 3.82Å; I16-Y23 HydrophobicContact CG1-CE1 4.17Å; I16-Y23 HydrophobicContact CG1-CE2 4.03Å; I16-Y23 HydrophobicContact CG1-CG 3.79Å; I16-Y23 HydrophobicContact CG2-CD2 4.11Å; I16-Y23 HydrophobicContact CG2-CG 4.43Å; I16-L38 HydrophobicContact CD1-CD1 4.42Å
17S94.6Very high93.8Very high72 Ų7290.9 Ų90.950%0.50353%0.529SS..  trans-62146176.2-53.20000111.6D19 V20S17-D19 WeakPolarHBondContact CB-OD1 3.23Å; S17-D19 PolarHBondContact O-N 2.96Å; S17-V20 WeakPolarHBondContact O-CB 3.12Å; S17-V20 PolarHBondContact O-N 3.27Å; S17-V20 VanDerWaalsContact O-N 3.13Å
18P94.3Very high94.1Very high117 Ų11789.8 Ų89.876%0.7652%0.523SS*.THydrogen-bonded Turntrans-67.3-19.2-171.526.9-35.7000114.5R21P18-R21 PolarHBondContact O-NH1 3.09Å
19D95.3Very high94.5Very high124 Ų12488.3 Ų88.366%0.66350%0.496SS*.THydrogen-bonded Turntrans-83.2-15.4177.761.1-46.3000113.3S17S17-D19 WeakPolarHBondContact CB-OD1 3.23Å; S17-D19 PolarHBondContact O-N 2.96Å
20V96.6Very high94.8Very high50 Ų5084.4 Ų84.430%0.30348%0.479SS..  trans-78.2137.2-177.2175.90000110.9I16 S17 S22I16-V20 HydrophobicContact CG2-CB 3.65Å; I16-V20 HydrophobicContact CG2-CG1 3.74Å; I16-V20 HydrophobicContact CG2-CG2 4.29Å; S17-V20 WeakPolarHBondContact O-CB 3.12Å; S17-V20 PolarHBondContact O-N 3.27Å; S17-V20 VanDerWaalsContact O-N 3.13Å; V20-S22 WeakPolarHBondContact CG1-O 3.41Å
21R93.9Very high94.9Very high212 Ų21278.7 Ų78.780%0.845%0.445SS*.SBendtrans-119.6-6.9176.2-60.7-67.3174.8-98.4-0.5113.8P18P18-R21 PolarHBondContact O-NH1 3.09Å
22S95.3Very high94.8Very high106 Ų10675.4 Ų75.474%0.74142%0.423SS*.  trans-139.7131.8175-179.60000109.4V20V20-S22 WeakPolarHBondContact CG1-O 3.41Å
23Y94.9Very high94.7Very high94 Ų9477.4 Ų77.437%0.36943%0.433SS..  trans-143.6134.7-175.8-173.6-98.1000111.3V1 R14 I16 I25V1-Y23 HydrophobicContact CG1-CD1 4.33Å; V1-Y23 HydrophobicContact CG1-CE1 4.22Å; R14-Y23 HydrophobicContact CB-CE1 3.96Å; R14-Y23 WeakPolarHBondContact CB-OH 3.36Å; R14-Y23 HydrophobicContact CG-CE1 4.16Å; R14-Y23 WeakPolarHBondContact CG-OH 3.47Å; I16-Y23 HydrophobicContact CD1-CD1 3.66Å; I16-Y23 HydrophobicContact CD1-CD2 4.14Å; I16-Y23 HydrophobicContact CD1-CE1 4.27Å; I16-Y23 HydrophobicContact CD1-CG 3.58Å; I16-Y23 HydrophobicContact CG1-CD1 3.97Å; I16-Y23 HydrophobicContact CG1-CD2 3.82Å; I16-Y23 HydrophobicContact CG1-CE1 4.17Å; I16-Y23 HydrophobicContact CG1-CE2 4.03Å; I16-Y23 HydrophobicContact CG1-CG 3.79Å; I16-Y23 HydrophobicContact CG2-CD2 4.11Å; I16-Y23 HydrophobicContact CG2-CG 4.43Å; Y23-I25 HydrophobicContact CD1-CG1 3.99Å; Y23-I25 HydrophobicContact CE1-CG1 4.04Å
24T95.5Very high94.7Very high109 Ų10971.6 Ų71.667%0.66941%0.406SS*.  trans-102.1118.8175.1-55.50000109.9T26T24-T26 HydrophobicContact CG2-CG2 4.37Å; T24-T26 PolarHBondContact O-N 3.23Å
25I95.9Very high94.8Very high32 Ų3272.6 Ų72.616%0.16441%0.413CS..  trans-81117175.9-52168.3000108.5V1 A3 V12 Y23 L28 I36V1-I25 HydrophobicContact CG1-CD1 4.45Å; V1-I25 HydrophobicContact CG1-CG1 4.4Å; V1-I25 HydrophobicContact CG2-CD1 3.9Å; A3-I25 HydrophobicContact CB-CD1 4.39Å; A3-I25 HydrophobicContact CB-CG2 4.41Å; V12-I25 HydrophobicContact CG1-CG2 4.21Å; Y23-I25 HydrophobicContact CD1-CG1 3.99Å; Y23-I25 HydrophobicContact CE1-CG1 4.04Å; I25-L28 HydrophobicContact CB-CD1 4.34Å; I25-L28 HydrophobicContact CG2-CD1 4.25Å; I25-L28 HydrophobicContact CG2-CD2 3.76Å; I25-L28 HydrophobicContact CG2-CG 4.11Å; I25-I36 HydrophobicContact CD1-CD1 4.12Å; I25-I36 HydrophobicContact CD1-CG1 4.38Å; I25-I36 HydrophobicContact CD1-CG2 3.93Å
26T94.8Very high95Very high85 Ų8568.9 Ų68.952%0.52138%0.384SS..  trans-104.5160.6-179.459.80000112.2T24T24-T26 HydrophobicContact CG2-CG2 4.37Å; T24-T26 PolarHBondContact O-N 3.23Å
27G92.1Very high95.1Very high68 Ų6868 Ų6870%0.70138%0.379SS*.SBendtrans78.721.7-179.500000114.1
28L94.7Very high95.2Very high43 Ų4368.1 Ų68.123%0.22537%0.374CS..PPolyproline II helixtrans-78.5152.5173-56.4-174.6000111A3 V12 I25 Y34 T56A3-L28 HydrophobicContact CB-CD2 4.01Å; V12-L28 HydrophobicContact CB-CD2 4.02Å; V12-L28 HydrophobicContact CG1-CD2 4.37Å; V12-L28 HydrophobicContact CG2-CD2 3.95Å; I25-L28 HydrophobicContact CB-CD1 4.34Å; I25-L28 HydrophobicContact CG2-CD1 4.25Å; I25-L28 HydrophobicContact CG2-CD2 3.76Å; I25-L28 HydrophobicContact CG2-CG 4.11Å; L28-Y34 HydrophobicContact CB-CE2 3.99Å; L28-Y34 HydrophobicContact CD1-CD2 4.45Å; L28-Y34 HydrophobicContact CD1-CE2 4.35Å; L28-Y34 HydrophobicContact CD2-CD1 4.48Å; L28-Y34 HydrophobicContact CD2-CE1 3.93Å; L28-Y34 HydrophobicContact CD2-CE2 4.42Å; L28-Y34 HydrophobicContact CG-CE2 4.49Å; L28-T56 HydrophobicContact CB-CG2 3.85Å; L28-T56 HydrophobicContact CD1-CG2 3.9Å
29Q94.2Very high95.3Very high43 Ų4364.7 Ų64.720%0.20135%0.346CS..PPolyproline II helixtrans-77.6133.9174.6-171.9-179.62.700109.8N7 T32 Y34 T56N7-Q29 PolarHBondContact ND2-OE1 3.12Å; Q29-T32 WeakPolarHBondContact O-CB 3.37Å; Q29-T32 PolarHBondContact O-OG1 3.18Å; Q29-Y34 PolarHBondContact N-OH 3.18Å; Q29-T56 PolarHBondContact O-OG1 2.97Å
30P94.9Very high95.3Very high15 Ų1563.8 Ų63.810%0.09735%0.345CS..THydrogen-bonded Turntrans-60.1153.9174.4-22.833000113.4T32 D59 A83P30-T32 PolarHBondContact O-N 3.2Å; P30-T32 VanDerWaalsContact O-N 3.17Å; P30-T32 PolarHBondContact O-OG1 3.16Å; P30-D59 HydrophobicContact CB-CB 3.89Å; P30-D59 WeakPolarHBondContact CB-OD1 3.29Å; P30-D59 HydrophobicContact CG-CB 4.05Å; P30-A83 HydrophobicContact CB-CB 4.3Å
31G93.9Very high95.2Very high2 Ų266.7 Ų66.72%0.02136%0.358CS..THydrogen-bonded Turntrans53.436.7176.600000112.9T56 A57 K132G31-T56 WeakPolarHBondContact CA-O 3.04Å; G31-T56 PolarHBondContact N-O 3.48Å; G31-T56 PolarHBondContact N-OG1 3.05Å; G31-A57 PolarHBondContact N-O 2.93Å; G31-K132 WeakPolarHBondContact O-CD 3.49Å; G31-K132 WeakPolarHBondContact O-CE 3.34Å; G31-K132 PolarHBondContact O-NZ 2.9Å
32T93.9Very high95.1Very high8 Ų862 Ų625%0.04935%0.349CS..  trans-125.1134.5-175.1-58.30000110.1P5 Q29 P30 Y34 T56P5-T32 HydrophobicContact CB-CG2 3.92Å; Q29-T32 WeakPolarHBondContact O-CB 3.37Å; Q29-T32 PolarHBondContact O-OG1 3.18Å; P30-T32 PolarHBondContact O-N 3.2Å; P30-T32 VanDerWaalsContact O-N 3.17Å; P30-T32 PolarHBondContact O-OG1 3.16Å; T32-Y34 HydrophobicContact CG2-CD2 4.18Å; T32-Y34 HydrophobicContact CG2-CE2 3.64Å; T32-Y34 VanDerWaalsContact O-CD2 3.29Å; T32-Y34 WeakPolarHBondContact O-CD2 3.26Å; T32-T56 PolarHBondContact N-OG1 2.77Å; T32-T56 PolarHBondContact O-N 3.27Å; T32-T56 PolarHBondContact O-OG1 2.92Å
33D93.9Very high94.9Very high63 Ų6364.2 Ų64.234%0.33735%0.352SS..EExtended strand (participates in β ladder)trans-85.1134.6176.9-51.2-58.7000109.2A6 S55 K132A6-D33 HydrophobicContact CB-CB 4.08Å; A6-D33 WeakPolarHBondContact CB-O 3.27Å; A6-D33 PolarHBondContact N-O 3.01Å; D33-S55 VanDerWaalsContact OD1-CB 3.3Å; D33-S55 WeakPolarHBondContact OD1-CB 3.41Å; D33-S55 PolarHBondContact OD1-OG 3Å; D33-K132 IonicContact OD2-NZ 3.13Å
34Y95.8Very high94.6Very high10 Ų1068 Ų684%0.03938%0.379CS..EExtended strand (participates in β ladder)trans-128.7138.2-175-76.7-89.1000111A3 I4 P5 L28 Q29 T32 A54 T56A3-Y34 HydrophobicContact CB-CD1 3.85Å; A3-Y34 HydrophobicContact CB-CE1 4.33Å; I4-Y34 WeakPolarHBondContact O-CA 3.35Å; P5-Y34 HydrophobicContact CB-CD1 3.96Å; P5-Y34 HydrophobicContact CB-CE1 3.51Å; P5-Y34 HydrophobicContact CG-CE1 4.14Å; L28-Y34 HydrophobicContact CB-CE2 3.99Å; L28-Y34 HydrophobicContact CD1-CD2 4.45Å; L28-Y34 HydrophobicContact CD1-CE2 4.35Å; L28-Y34 HydrophobicContact CD2-CD1 4.48Å; L28-Y34 HydrophobicContact CD2-CE1 3.93Å; L28-Y34 HydrophobicContact CD2-CE2 4.42Å; L28-Y34 HydrophobicContact CG-CE2 4.49Å; Q29-Y34 PolarHBondContact N-OH 3.18Å; T32-Y34 HydrophobicContact CG2-CD2 4.18Å; T32-Y34 HydrophobicContact CG2-CE2 3.64Å; T32-Y34 VanDerWaalsContact O-CD2 3.29Å; T32-Y34 WeakPolarHBondContact O-CD2 3.26Å; Y34-A54 PolarHBondContact N-O 3.17Å; Y34-A54 PolarHBondContact O-N 3.28Å; Y34-T56 HydrophobicContact CD2-CG2 4.15Å; Y34-T56 HydrophobicContact CE2-CG2 3.95Å
35K97.2Very high94.6Very high115 Ų11565.7 Ų65.750%0.537%0.371SS..EExtended strand (participates in β ladder)trans-93.2111.7158.8-69.6-167.6170.9-171.10108.5I4 D53I4-K35 HydrophobicContact CB-CB 4.45Å; I4-K35 PolarHBondContact N-O 2.59Å; I4-K35 PolarHBondContact O-N 2.95Å; K35-D53 WeakPolarHBondContact CG-OD1 3.31Å
36I97.7Very high94.5Very high27 Ų2770.4 Ų70.414%0.13839%0.386CS..EExtended strand (participates in β ladder)trans-93.7116.6178.4-58.3172.2000108V1 D2 A3 I25 I51 I52 A54V1-I36 HydrophobicContact CG2-CG2 3.57Å; D2-I36 CarbonylContact O-C 3.58Å; D2-I36 WeakPolarHBondContact O-CA 3.04Å; A3-I36 HydrophobicContact CB-CG1 4.43Å; I25-I36 HydrophobicContact CD1-CD1 4.12Å; I25-I36 HydrophobicContact CD1-CG1 4.38Å; I25-I36 HydrophobicContact CD1-CG2 3.93Å; I36-I51 CarbonylContact O-C 3.59Å; I36-I51 WeakPolarHBondContact O-CA 3.31Å; I36-I52 HydrophobicContact CB-CB 4.3Å; I36-I52 PolarHBondContact N-O 3.48Å; I36-I52 PolarHBondContact O-N 3.25Å; I36-A54 HydrophobicContact CD1-CB 3.8Å
37H97.3Very high94.7Very high32 Ų3268.7 Ų68.715%0.14838%0.378CS..EExtended strand (participates in β ladder)trans-100.6117.1174.1-65.3-171000109.7V1 D2 I4 Y39 P49 V50V1-H37 CarbonylContact C-O 3.55Å; V1-H37 VanDerWaalsContact CA-O 3.32Å; V1-H37 WeakPolarHBondContact CA-O 3.38Å; D2-H37 HydrophobicContact CB-CB 4.42Å; D2-H37 PolarHBondContact N-O 2.87Å; D2-H37 PolarHBondContact O-N 3.01Å; I4-H37 VanDerWaalsContact CD1-CE1 3.48Å; I4-H37 WeakPolarHBondContact CD1-CE1 3.42Å; H37-Y39 HydrophobicContact CB-CD2 4.31Å; H37-Y39 HydrophobicContact CB-CE2 3.31Å; H37-Y39 WeakPolarHBondContact CB-OH 3.27Å; H37-Y39 PolarHBondContact ND1-OH 3.07Å; H37-Y39 VanDerWaalsContact ND1-OH 3.08Å; H37-Y39 WeakPolarHBondContact O-CE2 3.46Å; H37-P49 HydrophobicContact CB-CB 3.99Å; H37-V50 WeakPolarHBondContact CA-O 3.47Å
38L96.7Very high94.9Very high76 Ų7670.6 Ų70.640%0.39838%0.381SS..EExtended strand (participates in β ladder)trans-106130.2176.3-175.463.2000110.1V1 I16 P49 V50V1-L38 HydrophobicContact CB-CD1 3.98Å; V1-L38 HydrophobicContact CG2-CD1 4.18Å; I16-L38 HydrophobicContact CD1-CD1 4.42Å; L38-P49 CarbonylContact O-C 3.56Å; L38-P49 VanDerWaalsContact O-CA 3.27Å; L38-P49 WeakPolarHBondContact O-CA 3.43Å; L38-V50 HydrophobicContact CB-CB 4.49Å; L38-V50 PolarHBondContact N-O 3.02Å; L38-V50 PolarHBondContact O-N 2.91Å
39Y96.2Very high95Very high45 Ų4570.9 Ų70.918%0.17639%0.385CS..  trans-126.1142.4-176.5-54.8-96.5000109D2 H37 R46 S47 P49D2-Y39 HydrophobicContact CB-CE2 4.41Å; D2-Y39 WeakPolarHBondContact OD2-CE2 3.36Å; H37-Y39 HydrophobicContact CB-CD2 4.31Å; H37-Y39 HydrophobicContact CB-CE2 3.31Å; H37-Y39 WeakPolarHBondContact CB-OH 3.27Å; H37-Y39 PolarHBondContact ND1-OH 3.07Å; H37-Y39 VanDerWaalsContact ND1-OH 3.08Å; H37-Y39 WeakPolarHBondContact O-CE2 3.46Å; Y39-R46 HydrophobicContact CD1-CG 3.83Å; Y39-R46 VanDerWaalsContact CE1-NE 3.27Å; Y39-R46 HydrophobicContact CG-CG 4.22Å; Y39-R46 VanDerWaalsContact CG-NE 3.29Å; Y39-S47 WeakPolarHBondContact CD1-O 3.23Å; Y39-P49 HydrophobicContact CD1-CB 3.88Å; Y39-P49 HydrophobicContact CD1-CG 4.47Å; Y39-P49 HydrophobicContact CE1-CB 3.4Å; Y39-P49 VanDerWaalsContact CE1-CB 3.4Å; Y39-P49 HydrophobicContact CE1-CG 3.69Å; Y39-P49 HydrophobicContact CE2-CB 4.22Å
40T95.5Very high95.2Very high105 Ų10573.1 Ų73.164%0.64440%0.401SS*.  trans-88.5133163.7-56.20000108.2S47T40-S47 PolarHBondContact N-OG 2.73Å; T40-S47 PolarHBondContact O-N 3.24Å
41L94.1Very high95.3Very high110 Ų11076.9 Ų76.958%0.57642%0.42SS*.EExtended strand (participates in β ladder)trans-109.5135.8175.2-58.9178.6000108.7A45 R46L41-A45 WeakPolarHBondContact CA-O 3.15Å; L41-R46 HydrophobicContact CD2-CB 3.96Å; L41-R46 HydrophobicContact CD2-CG 3.8Å
42N93.6Very high95.4Very high114 Ų11480.7 Ų80.761%0.6144%0.439SS*.EExtended strand (participates in β ladder)trans-136.6100.9170.8-174.321.2000107.6N44 A45N42-N44 PolarHBondContact O-N 2.84Å; N42-N44 VanDerWaalsContact O-N 3.15Å; N42-A45 PolarHBondContact N-O 2.98Å; N42-A45 WeakPolarHBondContact O-CA 3.24Å; N42-A45 WeakPolarHBondContact O-CB 3.27Å; N42-A45 PolarHBondContact O-N 2.93Å
43D89.6Confident95.5Very high153 Ų15386.1 Ų86.182%0.81847%0.468SS*.THydrogen-bonded Turntrans49.9-114.5-168.6-56.3-39.8000112
44N90.1Very high95.5Very high173 Ų17385 Ų8593%0.92547%0.467SS*.THydrogen-bonded Turntrans-88.4-5.2178.3-74.165.5000113.6N42N42-N44 PolarHBondContact O-N 2.84Å; N42-N44 VanDerWaalsContact O-N 3.15Å
45A94.4Very high95.4Very high60 Ų6087.5 Ų87.550%0.49649%0.486SS..EExtended strand (participates in β ladder)trans-88.1138.2178.500000111.4L41 N42L41-A45 WeakPolarHBondContact CA-O 3.15Å; N42-A45 PolarHBondContact N-O 2.98Å; N42-A45 WeakPolarHBondContact O-CA 3.24Å; N42-A45 WeakPolarHBondContact O-CB 3.27Å; N42-A45 PolarHBondContact O-N 2.93Å
46R95Very high95.3Very high131 Ų13183.4 Ų83.449%0.49447%0.471SS..EExtended strand (participates in β ladder)trans-124.3130.2176.3-176.6-179.9-172.3171.39108.8D2 Y39 L41D2-R46 IonicContact OD2-CZ 3.32Å; D2-R46 IonicContact OD2-NH2 3.21Å; D2-R46 PolarHBondContact OD2-NH2 3.18Å; Y39-R46 HydrophobicContact CD1-CG 3.83Å; Y39-R46 VanDerWaalsContact CE1-NE 3.27Å; Y39-R46 HydrophobicContact CG-CG 4.22Å; Y39-R46 VanDerWaalsContact CG-NE 3.29Å; L41-R46 HydrophobicContact CD2-CB 3.96Å; L41-R46 HydrophobicContact CD2-CG 3.8Å
47S97.1Very high95.2Very high50 Ų5086.1 Ų86.135%0.3550%0.497SS..PPolyproline II helixtrans-68.5168.9174.4730000112Y39 T40Y39-S47 WeakPolarHBondContact CD1-O 3.23Å; T40-S47 PolarHBondContact N-OG 2.73Å; T40-S47 PolarHBondContact O-N 3.24Å
48S97.1Very high95.2Very high107 Ų10785 Ų8575%0.74849%0.492SS*.PPolyproline II helixtrans-60.4148.9157.2-61.90000110.2
49P96.9Very high95.2Very high49 Ų4982.9 Ų82.932%0.31848%0.481SS..PPolyproline II helixtrans-73.8145.8179.524.3-26.9000112.3H37 L38 Y39 I51H37-P49 HydrophobicContact CB-CB 3.99Å; L38-P49 CarbonylContact O-C 3.56Å; L38-P49 VanDerWaalsContact O-CA 3.27Å; L38-P49 WeakPolarHBondContact O-CA 3.43Å; Y39-P49 HydrophobicContact CD1-CB 3.88Å; Y39-P49 HydrophobicContact CD1-CG 4.47Å; Y39-P49 HydrophobicContact CE1-CB 3.4Å; Y39-P49 VanDerWaalsContact CE1-CB 3.4Å; Y39-P49 HydrophobicContact CE1-CG 3.69Å; Y39-P49 HydrophobicContact CE2-CB 4.22Å; P49-I51 HydrophobicContact CB-CG1 4.23Å; P49-I51 HydrophobicContact CG-CG1 4.28Å
50V97.6Very high95.3Very high90 Ų9082.5 Ų82.555%0.54549%0.487SS..EExtended strand (participates in β ladder)trans-82.4130.8149.4178.20000107.5H37 L38 I52H37-V50 WeakPolarHBondContact CA-O 3.47Å; L38-V50 HydrophobicContact CB-CB 4.49Å; L38-V50 PolarHBondContact N-O 3.02Å; L38-V50 PolarHBondContact O-N 2.91Å; V50-I52 HydrophobicContact CG1-CG1 4.32Å
51I97.4Very high95.4Very high94 Ų9477.7 Ų77.748%0.48246%0.457SS..EExtended strand (participates in β ladder)trans-109.2130.4-178.4-56.6178.5000108.9I36 P49I36-I51 CarbonylContact O-C 3.59Å; I36-I51 WeakPolarHBondContact O-CA 3.31Å; P49-I51 HydrophobicContact CB-CG1 4.23Å; P49-I51 HydrophobicContact CG-CG1 4.28Å
52I96.9Very high95.6Very high83 Ų8374.9 Ų74.943%0.42645%0.447SS..EExtended strand (participates in β ladder)trans-128.6127.9179.7-53.6168.5000108I36 V50I36-I52 HydrophobicContact CB-CB 4.3Å; I36-I52 PolarHBondContact N-O 3.48Å; I36-I52 PolarHBondContact O-N 3.25Å; V50-I52 HydrophobicContact CG1-CG1 4.32Å
53D96Very high95.8Very high122 Ų12272.4 Ų72.465%0.65243%0.434SS*.EExtended strand (participates in β ladder)trans-87128.3170.3-64.7-51.7000109.5K35K35-D53 WeakPolarHBondContact CG-OD1 3.31Å
54A94.4Very high96.3Very high38 Ų3866.5 Ų66.531%0.31440%0.402SS..EExtended strand (participates in β ladder)trans-144.4146.2178.600000111.3Y34 I36Y34-A54 PolarHBondContact N-O 3.17Å; Y34-A54 PolarHBondContact O-N 3.28Å; I36-A54 HydrophobicContact CD1-CB 3.8Å
55S93.4Very high96.7Very high64 Ų6464.9 Ų64.945%0.44838%0.383SS..EExtended strand (participates in β ladder)trans-117.1133.6175.2-53.80000110D33D33-S55 VanDerWaalsContact OD1-CB 3.3Å; D33-S55 WeakPolarHBondContact OD1-CB 3.41Å; D33-S55 PolarHBondContact OD1-OG 3Å
56T94.5Very high96.8Very high29 Ų2964.4 Ų64.418%0.17837%0.37CS..PPolyproline II helixtrans-75.9148.1170.251.30000110.5L28 Q29 G31 T32 Y34L28-T56 HydrophobicContact CB-CG2 3.85Å; L28-T56 HydrophobicContact CD1-CG2 3.9Å; Q29-T56 PolarHBondContact O-OG1 2.97Å; G31-T56 WeakPolarHBondContact CA-O 3.04Å; G31-T56 PolarHBondContact N-O 3.48Å; G31-T56 PolarHBondContact N-OG1 3.05Å; T32-T56 PolarHBondContact N-OG1 2.77Å; T32-T56 PolarHBondContact O-N 3.27Å; T32-T56 PolarHBondContact O-OG1 2.92Å; Y34-T56 HydrophobicContact CD2-CG2 4.15Å; Y34-T56 HydrophobicContact CE2-CG2 3.95Å
57A95.3Very high97Very high83 Ų8362.2 Ų62.269%0.68637%0.367SS*.PPolyproline II helixtrans-62.4151.2175.100000111.7G31G31-A57 PolarHBondContact N-O 2.93Å
58I97.3Very high97Very high9 Ų963.2 Ų63.25%0.04637%0.372CS..PPolyproline II helixtrans-70.8129.4170.8-48.5174.4000107.5A83 I85 A130 K132 Q135 S137I58-A83 HydrophobicContact CG2-CB 3.71Å; I58-I85 HydrophobicContact CG2-CG2 4.11Å; I58-A130 HydrophobicContact CG2-CB 3.99Å; I58-K132 HydrophobicContact CD1-CB 3.46Å; I58-K132 VanDerWaalsContact CD1-CB 3.46Å; I58-K132 VanDerWaalsContact CD1-N 3.33Å; I58-K132 HydrophobicContact CG1-CB 4.11Å; I58-Q135 HydrophobicContact CD1-CB 3.67Å; I58-Q135 WeakPolarHBondContact CD1-O 3.26Å; I58-Q135 HydrophobicContact CG1-CB 4.19Å; I58-S137 WeakPolarHBondContact O-CB 3.34Å
59D96.9Very high97.1Very high32 Ų3259.3 Ų59.317%0.17134%0.344CS..PPolyproline II helixtrans-68.7143.7171.256.2-32.3000110.9P30 P81 R82 A83P30-D59 HydrophobicContact CB-CB 3.89Å; P30-D59 WeakPolarHBondContact CB-OD1 3.29Å; P30-D59 HydrophobicContact CG-CB 4.05Å; D59-P81 WeakPolarHBondContact O-CB 3.5Å; D59-P81 WeakPolarHBondContact OD1-CB 3.47Å; D59-R82 PolarHBondContact OD1-N 2.98Å; D59-R82 VanDerWaalsContact OD2-CB 3.26Å; D59-R82 WeakPolarHBondContact OD2-CB 3.43Å; D59-R82 WeakPolarHBondContact OD2-CG 3.43Å; D59-R82 PolarHBondContact OD2-N 2.84Å; D59-R82 IonicContact OD2-NE 2.66Å; D59-R82 PolarHBondContact OD2-NE 3.07Å; D59-R82 VanDerWaalsContact OD2-NE 3.13Å; D59-A83 VanDerWaalsContact OD1-CB 3.29Å; D59-A83 WeakPolarHBondContact OD1-CB 3.3Å; D59-A83 PolarHBondContact OD1-N 2.77Å
60A97.8Very high97.1Very high36 Ų3658.7 Ų58.730%0.29834%0.339SS..PPolyproline II helixtrans-68151.9178.700000110.7E138A60-E138 HydrophobicContact CB-CB 4.38Å; A60-E138 VanDerWaalsContact CB-O 3.23Å; A60-E138 WeakPolarHBondContact CB-O 3.33Å
61P98.3Very high97.2Very high4 Ų455.8 Ų55.83%0.02632%0.322CS..PPolyproline II helixtrans-53.8158.8160-20.433.6000110.4W78 Q79 Y88 V128 A130 L140P61-W78 HydrophobicContact CB-CB 4.5Å; P61-W78 HydrophobicContact CB-CG 4.35Å; P61-Q79 WeakPolarHBondContact CA-O 3.42Å; P61-Y88 HydrophobicContact CG-CD1 4.16Å; P61-Y88 HydrophobicContact CG-CE1 3.92Å; P61-V128 HydrophobicContact CB-CG1 4.35Å; P61-V128 HydrophobicContact CG-CG1 4.07Å; P61-A130 HydrophobicContact CG-CB 4.06Å; P61-L140 HydrophobicContact CB-CB 4.2Å; P61-L140 HydrophobicContact CB-CD2 3.91Å; P61-L140 WeakPolarHBondContact O-CB 3.44Å
62S98.4Very high97.2Very high51 Ų5155.6 Ų55.636%0.35732%0.322SS..EExtended strand (participates in β ladder)trans-133.1169.6-18062.50000112.9Q79S62-Q79 PolarHBondContact N-O 2.81Å; S62-Q79 PolarHBondContact O-N 3.02Å
63N98.1Very high97.3Very high63 Ų6352.6 Ų52.634%0.33731%0.308SS..EExtended strand (participates in β ladder)trans53.960.3172.2-169.711.1000113.6R65 Q79N63-R65 PolarHBondContact ND2-NH2 2.84Å; N63-R65 PolarHBondContact OD1-NE 3.24Å; N63-Q79 HydrophobicContact CB-CB 4.47Å; N63-Q79 HydrophobicContact CB-CG 4Å; N63-Q79 PolarHBondContact ND2-NE2 2.53Å
64L98.5Very high97.4Very high28 Ų2846.8 Ų46.815%0.14728%0.277CS..EExtended strand (participates in β ladder)trans-68.4129.8176-171.958.6000110.2F66 V76 S77 W78 V128 L140L64-F66 HydrophobicContact CD2-CZ 4.4Å; L64-V76 HydrophobicContact CD1-CB 4.2Å; L64-S77 CarbonylContact C-O 3.54Å; L64-S77 WeakPolarHBondContact CA-O 3.41Å; L64-S77 WeakPolarHBondContact CD1-O 3.1Å; L64-W78 HydrophobicContact CD1-CB 4.46Å; L64-V128 HydrophobicContact CD1-CG2 3.88Å; L64-L140 HydrophobicContact CB-CD1 4.2Å; L64-L140 HydrophobicContact CB-CD2 3.67Å; L64-L140 HydrophobicContact CB-CG 3.83Å; L64-L140 HydrophobicContact CD1-CD2 4.39Å; L64-L140 HydrophobicContact CD2-CG 4.45Å; L64-L140 HydrophobicContact CG-CD2 4.5Å
65R98.5Very high97.6Very high139 Ų13946.9 Ų46.953%0.52527%0.272SS..EExtended strand (participates in β ladder)trans-129.8150.2178.2-61.2-179.6178.8-170.2-5.7110.4N63 L67 V76 S77N63-R65 PolarHBondContact ND2-NH2 2.84Å; N63-R65 PolarHBondContact OD1-NE 3.24Å; R65-L67 HydrophobicContact CB-CD2 4.29Å; R65-V76 CarbonylContact O-C 3.33Å; R65-V76 VanDerWaalsContact O-CA 3.27Å; R65-V76 WeakPolarHBondContact O-CA 3.4Å; R65-S77 PolarHBondContact N-O 2.82Å; R65-S77 PolarHBondContact O-N 3.04Å
66F98.4Very high97.8Very high50 Ų5043.9 Ų43.922%0.21925%0.251CS..EExtended strand (participates in β ladder)trans-108.8101.2172.6-61.7-89000107.3L64 L74 L75 V76 I126 K144L64-F66 HydrophobicContact CD2-CZ 4.4Å; F66-L74 HydrophobicContact CD1-CD1 4.35Å; F66-L74 HydrophobicContact CD1-CD2 4.47Å; F66-L74 HydrophobicContact CE1-CD1 4.18Å; F66-L75 CarbonylContact C-O 3.56Å; F66-V76 HydrophobicContact CD1-CG1 3.62Å; F66-V76 HydrophobicContact CE1-CG1 3.63Å; F66-I126 HydrophobicContact CE1-CG1 3.81Å; F66-I126 HydrophobicContact CZ-CG1 4.09Å; F66-K144 HydrophobicContact CB-CD 4.21Å; F66-K144 HydrophobicContact CB-CG 4.28Å; F66-K144 HydrophobicContact CD1-CB 3.52Å; F66-K144 HydrophobicContact CD1-CD 4.43Å; F66-K144 HydrophobicContact CD1-CG 3.74Å; F66-K144 HydrophobicContact CD2-CB 4.11Å; F66-K144 HydrophobicContact CD2-CD 4.29Å; F66-K144 HydrophobicContact CD2-CG 4.38Å; F66-K144 HydrophobicContact CE1-CB 3.38Å; F66-K144 HydrophobicContact CE1-CG 4.15Å; F66-K144 HydrophobicContact CE2-CB 3.99Å; F66-K144 HydrophobicContact CG-CB 3.89Å; F66-K144 HydrophobicContact CG-CD 4.05Å; F66-K144 HydrophobicContact CG-CG 3.87Å; F66-K144 HydrophobicContact CZ-CB 3.64Å
67L98.2Very high98Very high85 Ų8543.3 Ų43.345%0.44525%0.248SC..EExtended strand (participates in β ladder)trans-76.8-42.3-174.9-57.6-175.5000111.4R65 L75 E112R65-L67 HydrophobicContact CB-CD2 4.29Å; L67-L75 HydrophobicContact CB-CB 4.48Å; L67-L75 HydrophobicContact CB-CD2 3.99Å; L67-L75 HydrophobicContact CB-CG 4.05Å; L67-L75 HydrophobicContact CD1-CD2 4.2Å; L67-L75 HydrophobicContact CD1-CG 4.29Å; L67-L75 PolarHBondContact N-O 2.91Å; L67-E112 HydrophobicContact CD1-CG 4.38Å
68T97.9Very high98.2Very high71 Ų7139.8 Ų39.844%0.43622%0.217SC..EExtended strand (participates in β ladder)trans-134.2140.3178.2-51.80000109.5T70 L75T68-T70 HydrophobicContact CG2-CG2 4.24Å; T68-L75 PolarHBondContact O-N 3.38Å
69T98.3Very high98.2Very high26 Ų2644.2 Ų44.216%0.1624%0.238CC..EExtended strand (participates in β ladder)trans-126.3138.8171.7-600000107.6L74 K144 D147T69-L74 HydrophobicContact CG2-CD2 3.63Å; T69-K144 WeakPolarHBondContact OG1-CE 3.48Å; T69-D147 VanDerWaalsContact C-OD2 3.31Å
70T98.1Very high98.3Very high35 Ų3545.2 Ų45.222%0.21525%0.25CS..  trans-135.7175.6172.873.20000107.9T68 N72 S73 T146 D147T68-T70 HydrophobicContact CG2-CG2 4.24Å; T70-N72 PolarHBondContact O-N 3.05Å; T70-N72 PolarHBondContact OG1-N 3.32Å; T70-N72 PolarHBondContact OG1-OD1 3.01Å; T70-S73 PolarHBondContact N-O 2.82Å; T70-S73 PolarHBondContact OG1-N 2.99Å; T70-S73 PolarHBondContact OG1-O 2.88Å; T70-S73 PolarHBondContact OG1-OG 2.97Å; T70-T146 WeakPolarHBondContact O-CB 3.06Å; T70-D147 WeakPolarHBondContact CA-OD2 3.4Å; T70-D147 PolarHBondContact O-N 3.41Å
71P97.9Very high98.2Very high29 Ų2944.2 Ų44.219%0.18824%0.241CC..SBendtrans-62.8-21.4175.3-2535.2000114.6E119 P120 D147 L149P71-E119 CarbonylContact O-C 3.47Å; P71-P120 HydrophobicContact CB-CB 4.03Å; P71-P120 HydrophobicContact CB-CG 4.01Å; P71-P120 WeakPolarHBondContact O-CA 3.37Å; P71-P120 VanDerWaalsContact O-N 3.08Å; P71-D147 VanDerWaalsContact CA-O 3.23Å; P71-D147 WeakPolarHBondContact CA-O 3.42Å; P71-D147 WeakPolarHBondContact CB-O 3.42Å; P71-D147 HydrophobicContact CG-CB 3.98Å; P71-L149 HydrophobicContact CB-CD2 3.89Å; P71-L149 HydrophobicContact CB-CG 4.46Å; P71-L149 HydrophobicContact CG-CD2 4.33Å
72N97.9Very high98.1Very high90 Ų9052.7 Ų52.748%0.48127%0.272SS..SBendtrans-131.64.9-172.363.224.7000114.6T70 T116 G117 L118T70-N72 PolarHBondContact O-N 3.05Å; T70-N72 PolarHBondContact OG1-N 3.32Å; T70-N72 PolarHBondContact OG1-OD1 3.01Å; N72-T116 CarbonylContact O-C 3.56Å; N72-G117 PolarHBondContact O-N 2.66Å; N72-L118 WeakPolarHBondContact CA-O 3.49Å; N72-L118 PolarHBondContact O-N 2.62Å
73S98.2Very high97.9Very high20 Ų2050.5 Ų50.514%0.1426%0.257CS..EExtended strand (participates in β ladder)trans-155.6155.8-179.7630000113.9T70 I115T70-S73 PolarHBondContact N-O 2.82Å; T70-S73 PolarHBondContact OG1-N 2.99Å; T70-S73 PolarHBondContact OG1-O 2.88Å; T70-S73 PolarHBondContact OG1-OG 2.97Å; S73-I115 CarbonylContact C-O 3.47Å; S73-I115 WeakPolarHBondContact CA-O 3.23Å; S73-I115 WeakPolarHBondContact CB-O 3.43Å
74L98.6Very high97.6Very high0 Ų057 Ų570%028%0.277CS..EExtended strand (participates in β ladder)trans-128.8128174.7-65.4174.9000109.4F66 T69 V76 T114 I115 L118 I126 K144 T146F66-L74 HydrophobicContact CD1-CD1 4.35Å; F66-L74 HydrophobicContact CD1-CD2 4.47Å; F66-L74 HydrophobicContact CE1-CD1 4.18Å; T69-L74 HydrophobicContact CG2-CD2 3.63Å; L74-V76 HydrophobicContact CB-CG1 4.47Å; L74-T114 WeakPolarHBondContact O-CA 3.48Å; L74-I115 PolarHBondContact N-O 2.89Å; L74-I115 PolarHBondContact O-N 2.94Å; L74-L118 HydrophobicContact CB-CD1 4.2Å; L74-L118 HydrophobicContact CD1-CD1 3.8Å; L74-L118 HydrophobicContact CG-CD1 3.61Å; L74-I126 HydrophobicContact CD1-CD1 4.25Å; L74-K144 HydrophobicContact CD1-CB 4.1Å; L74-K144 HydrophobicContact CD1-CG 4.41Å; L74-K144 HydrophobicContact CD2-CB 4.31Å; L74-K144 HydrophobicContact CD2-CG 3.71Å; L74-T146 HydrophobicContact CD2-CG2 4.41Å; L74-T146 HydrophobicContact CG-CG2 4.4Å
75L98.4Very high97.5Very high41 Ų4157 Ų5722%0.21528%0.277CS..EExtended strand (participates in β ladder)trans-94.2113.9166.4177.360.5000108.5F66 L67 T68F66-L75 CarbonylContact C-O 3.56Å; L67-L75 HydrophobicContact CB-CB 4.48Å; L67-L75 HydrophobicContact CB-CD2 3.99Å; L67-L75 HydrophobicContact CB-CG 4.05Å; L67-L75 HydrophobicContact CD1-CD2 4.2Å; L67-L75 HydrophobicContact CD1-CG 4.29Å; L67-L75 PolarHBondContact N-O 2.91Å; T68-L75 PolarHBondContact O-N 3.38Å
76V98.6Very high97.4Very high0 Ų053.7 Ų53.70%027%0.273CS..EExtended strand (participates in β ladder)trans-107.5145.9-179.3-63.80000111.3L64 R65 F66 L74 W78 E112 A113 I115L64-V76 HydrophobicContact CD1-CB 4.2Å; R65-V76 CarbonylContact O-C 3.33Å; R65-V76 VanDerWaalsContact O-CA 3.27Å; R65-V76 WeakPolarHBondContact O-CA 3.4Å; F66-V76 HydrophobicContact CD1-CG1 3.62Å; F66-V76 HydrophobicContact CE1-CG1 3.63Å; L74-V76 HydrophobicContact CB-CG1 4.47Å; V76-W78 HydrophobicContact CG2-CE3 4.44Å; V76-W78 HydrophobicContact CG2-CZ3 4.12Å; V76-E112 CarbonylContact O-C 3.53Å; V76-E112 VanDerWaalsContact O-CA 3.24Å; V76-E112 WeakPolarHBondContact O-CA 3.36Å; V76-A113 HydrophobicContact CG2-CB 4.39Å; V76-A113 VanDerWaalsContact CG2-O 3.27Å; V76-A113 WeakPolarHBondContact CG2-O 3.3Å; V76-A113 PolarHBondContact N-O 2.91Å; V76-A113 PolarHBondContact O-N 2.9Å; V76-I115 HydrophobicContact CG1-CD1 4.44Å; V76-I115 HydrophobicContact CG2-CD1 4.41Å
77S98.6Very high97.3Very high18 Ų1851.6 Ų51.613%0.12627%0.265CS..EExtended strand (participates in β ladder)trans-130.2152.4171.195.90000111.7L64 R65 T111L64-S77 CarbonylContact C-O 3.54Å; L64-S77 WeakPolarHBondContact CA-O 3.41Å; L64-S77 WeakPolarHBondContact CD1-O 3.1Å; R65-S77 PolarHBondContact N-O 2.82Å; R65-S77 PolarHBondContact O-N 3.04Å; S77-T111 CarbonylContact C-O 3.46Å; S77-T111 VanDerWaalsContact CA-O 3.23Å; S77-T111 WeakPolarHBondContact CA-O 3.41Å
78W98.7Very high97.3Very high8 Ų847.6 Ų47.63%0.0324%0.244CC..EExtended strand (participates in β ladder)trans-146.6165.9177.561.490.5000111.2P61 L64 V76 Y88 I90 P106 V110 T111 A113 V128 L140P61-W78 HydrophobicContact CB-CB 4.5Å; P61-W78 HydrophobicContact CB-CG 4.35Å; L64-W78 HydrophobicContact CD1-CB 4.46Å; V76-W78 HydrophobicContact CG2-CE3 4.44Å; V76-W78 HydrophobicContact CG2-CZ3 4.12Å; W78-Y88 HydrophobicContact CZ2-CD1 4.46Å; W78-Y88 HydrophobicContact CZ2-CD2 4.07Å; W78-Y88 HydrophobicContact CZ2-CE2 4.22Å; W78-Y88 HydrophobicContact CZ2-CG 4.17Å; W78-Y88 AromaticContact NE1-CD1 3.8Å; W78-Y88 AromaticContact NE1-CE1 3.28Å; W78-Y88 VanDerWaalsContact NE1-CE1 3.28Å; W78-Y88 AromaticContact NE1-CE2 3.89Å; W78-Y88 AromaticContact NE1-CZ 3.3Å; W78-Y88 VanDerWaalsContact NE1-CZ 3.3Å; W78-I90 HydrophobicContact CH2-CD1 3.61Å; W78-I90 HydrophobicContact CZ3-CD1 3.67Å; W78-P106 HydrophobicContact CH2-CB 4.47Å; W78-P106 HydrophobicContact CH2-CG 4.33Å; W78-P106 HydrophobicContact CZ2-CB 4.48Å; W78-V110 WeakPolarHBondContact CZ2-O 3.46Å; W78-T111 PolarHBondContact N-O 2.87Å; W78-T111 WeakPolarHBondContact O-CB 2.99Å; W78-A113 HydrophobicContact CH2-CB 3.92Å; W78-A113 HydrophobicContact CZ3-CB 3.94Å; W78-V128 HydrophobicContact CD2-CG1 3.82Å; W78-V128 HydrophobicContact CE3-CG1 4.22Å; W78-V128 HydrophobicContact CE3-CG2 4.26Å; W78-V128 HydrophobicContact CG-CG1 4.07Å; W78-V128 HydrophobicContact CZ2-CG1 4.45Å; W78-L140 HydrophobicContact CB-CD2 3.85Å
79Q98.4Very high97.3Very high102 Ų10244.4 Ų44.448%0.47722%0.224SC..EExtended strand (participates in β ladder)trans-92.2135.1169-70.3179.8-5.700110.3P61 S62 N63P61-Q79 WeakPolarHBondContact CA-O 3.42Å; S62-Q79 PolarHBondContact N-O 2.81Å; S62-Q79 PolarHBondContact O-N 3.02Å; N63-Q79 HydrophobicContact CB-CB 4.47Å; N63-Q79 HydrophobicContact CB-CG 4Å; N63-Q79 PolarHBondContact ND2-NE2 2.53Å
80A97.7Very high97.3Very high53 Ų5343.2 Ų43.244%0.43822%0.217SC..PPolyproline II helixtrans-64.3147.6179.900000111.9Y88 T111A80-Y88 WeakPolarHBondContact CB-OH 3.26Å; A80-T111 HydrophobicContact CB-CG2 4.47Å
81P97.2Very high97.4Very high16 Ų1645.2 Ų45.210%0.10422%0.222CC..PPolyproline II helixtrans-70165.3172.532.8-37.2000111.4D59 I85 Y88 A130D59-P81 WeakPolarHBondContact O-CB 3.5Å; D59-P81 WeakPolarHBondContact OD1-CB 3.47Å; P81-I85 HydrophobicContact CG-CD1 4.18Å; P81-I85 HydrophobicContact CG-CG2 3.63Å; P81-Y88 WeakPolarHBondContact CD-OH 3.15Å; P81-A130 HydrophobicContact CG-CB 3.87Å
82R94.7Very high97.4Very high181 Ų18145.2 Ų45.268%0.68322%0.219SC*.SBendtrans-79.2-26.9177-60175.4-66.7169.7-1.9112.3D59D59-R82 PolarHBondContact OD1-N 2.98Å; D59-R82 VanDerWaalsContact OD2-CB 3.26Å; D59-R82 WeakPolarHBondContact OD2-CB 3.43Å; D59-R82 WeakPolarHBondContact OD2-CG 3.43Å; D59-R82 PolarHBondContact OD2-N 2.84Å; D59-R82 IonicContact OD2-NE 2.66Å; D59-R82 PolarHBondContact OD2-NE 3.07Å; D59-R82 VanDerWaalsContact OD2-NE 3.13Å
83A94.8Very high97.4Very high5 Ų543.1 Ų43.14%0.04121%0.206CC..SBendtrans-60.5146.7173.700000111.5P30 I58 D59 I85P30-A83 HydrophobicContact CB-CB 4.3Å; I58-A83 HydrophobicContact CG2-CB 3.71Å; D59-A83 VanDerWaalsContact OD1-CB 3.29Å; D59-A83 WeakPolarHBondContact OD1-CB 3.3Å; D59-A83 PolarHBondContact OD1-N 2.77Å; A83-I85 PolarHBondContact O-N 2.93Å; A83-I85 VanDerWaalsContact O-N 3.15Å
84R92.9Very high97.3Very high200 Ų20044.4 Ų44.476%0.75521%0.209SC*.  trans-75.9103.5170.9-68.7-177.4-178.8-93.42.1109.3K132R84-K132 WeakPolarHBondContact O-CD 3.25Å; R84-K132 WeakPolarHBondContact O-CG 3.27Å
85I96.2Very high97.1Very high27 Ų2749.4 Ų49.414%0.13824%0.242CC..  trans-94.7157.9-17658.9164.7000112.5I58 P81 A83 Y88 P108 A130 L131I58-I85 HydrophobicContact CG2-CG2 4.11Å; P81-I85 HydrophobicContact CG-CD1 4.18Å; P81-I85 HydrophobicContact CG-CG2 3.63Å; A83-I85 PolarHBondContact O-N 2.93Å; A83-I85 VanDerWaalsContact O-N 3.15Å; I85-Y88 HydrophobicContact CD1-CD1 4.26Å; I85-Y88 HydrophobicContact CD1-CD2 4.09Å; I85-Y88 HydrophobicContact CD1-CE1 3.59Å; I85-Y88 HydrophobicContact CD1-CE2 3.41Å; I85-Y88 VanDerWaalsContact CD1-CE2 3.41Å; I85-Y88 HydrophobicContact CD1-CG 4.49Å; I85-Y88 VanDerWaalsContact CD1-OH 3.32Å; I85-Y88 WeakPolarHBondContact CD1-OH 3.29Å; I85-P108 HydrophobicContact CG1-CB 4.25Å; I85-A130 HydrophobicContact CG2-CB 3.9Å; I85-L131 CarbonylContact C-O 3.58Å; I85-L131 VanDerWaalsContact CA-O 3.25Å; I85-L131 WeakPolarHBondContact CA-O 3.3Å; I85-L131 WeakPolarHBondContact CB-O 3.44Å
86T95.8Very high96.9Very high71 Ų7151.9 Ų51.944%0.43628%0.277SS..SBendtrans-100.6-5.9173.355.50000112.8P108 L131 K132 N133T86-P108 WeakPolarHBondContact O-CD 3.17Å; T86-L131 PolarHBondContact N-O 2.67Å; T86-L131 PolarHBondContact OG1-O 3.4Å; T86-K132 WeakPolarHBondContact OG1-CA 3.17Å; T86-N133 PolarHBondContact OG1-N 2.84Å; T86-N133 VanDerWaalsContact OG1-N 3.13Å
87G96.9Very high96.8Very high5 Ų553.5 Ų53.55%0.05229%0.289CS..EExtended strand (participates in β ladder)trans158.4-166.9175.600000112.9P106 L131G87-P106 WeakPolarHBondContact CA-O 3.12Å; G87-L131 WeakPolarHBondContact O-CB 3.39Å; G87-L131 PolarHBondContact O-N 3.07Å
88Y98.2Very high96.6Very high1 Ų157.5 Ų57.50%0.00431%0.314CS..EExtended strand (participates in β ladder)trans-128.7155.3176.9-58.6-90.7000112P61 W78 A80 P81 I85 R105 P106 V110 V128 I129 A130P61-Y88 HydrophobicContact CG-CD1 4.16Å; P61-Y88 HydrophobicContact CG-CE1 3.92Å; W78-Y88 HydrophobicContact CZ2-CD1 4.46Å; W78-Y88 HydrophobicContact CZ2-CD2 4.07Å; W78-Y88 HydrophobicContact CZ2-CE2 4.22Å; W78-Y88 HydrophobicContact CZ2-CG 4.17Å; W78-Y88 AromaticContact NE1-CD1 3.8Å; W78-Y88 AromaticContact NE1-CE1 3.28Å; W78-Y88 VanDerWaalsContact NE1-CE1 3.28Å; W78-Y88 AromaticContact NE1-CE2 3.89Å; W78-Y88 AromaticContact NE1-CZ 3.3Å; W78-Y88 VanDerWaalsContact NE1-CZ 3.3Å; A80-Y88 WeakPolarHBondContact CB-OH 3.26Å; P81-Y88 WeakPolarHBondContact CD-OH 3.15Å; I85-Y88 HydrophobicContact CD1-CD1 4.26Å; I85-Y88 HydrophobicContact CD1-CD2 4.09Å; I85-Y88 HydrophobicContact CD1-CE1 3.59Å; I85-Y88 HydrophobicContact CD1-CE2 3.41Å; I85-Y88 VanDerWaalsContact CD1-CE2 3.41Å; I85-Y88 HydrophobicContact CD1-CG 4.49Å; I85-Y88 VanDerWaalsContact CD1-OH 3.32Å; I85-Y88 WeakPolarHBondContact CD1-OH 3.29Å; Y88-R105 WeakPolarHBondContact O-CB 3.41Å; Y88-P106 HydrophobicContact CD2-CB 4.15Å; Y88-P106 PolarHBondContact N-O 2.86Å; Y88-V110 WeakPolarHBondContact CE2-O 3.46Å; Y88-V128 HydrophobicContact CD1-CG1 4.15Å; Y88-I129 CarbonylContact C-O 3.58Å; Y88-I129 VanDerWaalsContact CA-O 3.26Å; Y88-I129 WeakPolarHBondContact CA-O 3.32Å; Y88-A130 HydrophobicContact CD1-CB 4.41Å; Y88-A130 HydrophobicContact CE1-CB 4.41Å
89I97.9Very high96.5Very high5 Ų560.4 Ų60.43%0.02633%0.334CS..EExtended strand (participates in β ladder)trans-112.4128.7161.2-72.4172.8000107K91 E101 I129 L131I89-K91 HydrophobicContact CG2-CD 4.39Å; I89-K91 HydrophobicContact CG2-CG 3.81Å; I89-E101 HydrophobicContact CG2-CG 4.1Å; I89-I129 HydrophobicContact CB-CB 4.28Å; I89-I129 HydrophobicContact CG2-CD1 4.34Å; I89-I129 PolarHBondContact N-O 3.43Å; I89-I129 PolarHBondContact O-N 2.97Å; I89-L131 HydrophobicContact CD1-CD1 3.87Å; I89-L131 HydrophobicContact CD1-CD2 3.82Å; I89-L131 HydrophobicContact CD1-CG 4.18Å; I89-L131 HydrophobicContact CG1-CD1 3.65Å; I89-L131 HydrophobicContact CG1-CD2 4.27Å; I89-L131 HydrophobicContact CG1-CG 4.08Å
90I98.4Very high96.4Very high0 Ų062.1 Ų62.10%034%0.336CS..EExtended strand (participates in β ladder)trans-111.5120.7169.5-57.9178.7000107.6W78 E101 V102 P106 A113 I115 I126 Y127 V128W78-I90 HydrophobicContact CH2-CD1 3.61Å; W78-I90 HydrophobicContact CZ3-CD1 3.67Å; I90-E101 WeakPolarHBondContact O-CA 3.35Å; I90-V102 HydrophobicContact CB-CB 4.1Å; I90-V102 HydrophobicContact CB-CG2 3.87Å; I90-V102 HydrophobicContact CG2-CG2 3.73Å; I90-V102 PolarHBondContact O-N 2.87Å; I90-P106 HydrophobicContact CD1-CG 3.71Å; I90-P106 HydrophobicContact CG1-CG 4.13Å; I90-A113 HydrophobicContact CD1-CB 3.34Å; I90-I115 HydrophobicContact CG2-CD1 4.01Å; I90-I126 HydrophobicContact CG2-CG2 4.02Å; I90-Y127 CarbonylContact C-O 3.55Å; I90-Y127 VanDerWaalsContact CA-O 3.3Å; I90-Y127 WeakPolarHBondContact CA-O 3.37Å; I90-V128 HydrophobicContact CG1-CG1 4.34Å; I90-V128 HydrophobicContact CG1-CG2 4.43Å
91K98.3Very high96.4Very high78 Ų7862.5 Ų62.534%0.33933%0.329SS..EExtended strand (participates in β ladder)trans-111.4151.9171.6-63-180177.7-173.70110.8I89 P99 R100 I126 Y127I89-K91 HydrophobicContact CG2-CD 4.39Å; I89-K91 HydrophobicContact CG2-CG 3.81Å; K91-P99 HydrophobicContact CB-CB 4.43Å; K91-P99 HydrophobicContact CD-CB 4.38Å; K91-R100 CarbonylContact C-O 3.54Å; K91-R100 WeakPolarHBondContact CA-O 3.02Å; K91-R100 WeakPolarHBondContact CB-O 3.33Å; K91-I126 CarbonylContact O-C 3.55Å; K91-I126 WeakPolarHBondContact O-CA 3.43Å; K91-Y127 HydrophobicContact CB-CD2 4.17Å; K91-Y127 PolarHBondContact N-O 2.75Å; K91-Y127 PolarHBondContact O-N 3.26Å
92Y98.3Very high96.5Very high29 Ų2962.6 Ų62.611%0.11433%0.329CS..EExtended strand (participates in β ladder)trans-142.5143175.164.5-82.2000110.2R100 V102 I115 L118 Y124 T125 I126Y92-R100 HydrophobicContact CD1-CB 4.25Å; Y92-R100 HydrophobicContact CD2-CB 4.41Å; Y92-R100 HydrophobicContact CE1-CB 3.71Å; Y92-R100 HydrophobicContact CE2-CB 3.89Å; Y92-R100 HydrophobicContact CE2-CG 4.45Å; Y92-R100 VanDerWaalsContact CZ-CB 3.5Å; Y92-R100 PolarHBondContact N-O 3.23Å; Y92-R100 PolarHBondContact O-N 2.88Å; Y92-V102 HydrophobicContact CD1-CG2 3.97Å; Y92-V102 HydrophobicContact CE1-CG2 4.09Å; Y92-I115 HydrophobicContact CD1-CG2 3.61Å; Y92-I115 HydrophobicContact CD2-CG2 4.1Å; Y92-I115 HydrophobicContact CE1-CG2 3.84Å; Y92-I115 HydrophobicContact CE2-CG2 4.3Å; Y92-I115 HydrophobicContact CG-CG2 3.76Å; Y92-L118 HydrophobicContact CD2-CD2 3.72Å; Y92-L118 HydrophobicContact CE2-CD2 3.7Å; Y92-Y124 HydrophobicContact CD2-CD1 4.02Å; Y92-Y124 HydrophobicContact CD2-CE1 4.12Å; Y92-T125 VanDerWaalsContact CA-O 3.29Å; Y92-T125 WeakPolarHBondContact CA-O 3.44Å; Y92-I126 VanDerWaalsContact CB-CD1 3.5Å
93E98Very high96.5Very high46 Ų4660 Ų6022%0.21533%0.333CS..EExtended strand (participates in β ladder)trans-144.2153.1176.978.4-171.7151.600111P99 Y124 T125 Y127E93-P99 HydrophobicContact CB-CB 4.26Å; E93-P99 HydrophobicContact CB-CG 4.41Å; E93-P99 WeakPolarHBondContact OE2-CD 3.42Å; E93-P99 VanDerWaalsContact OE2-CG 3.3Å; E93-P99 WeakPolarHBondContact OE2-CG 3.26Å; E93-Y124 CarbonylContact O-C 3.52Å; E93-Y124 VanDerWaalsContact O-CA 3.26Å; E93-Y124 WeakPolarHBondContact O-CA 3.49Å; E93-T125 PolarHBondContact N-O 3.17Å; E93-T125 PolarHBondContact O-N 3.48Å; E93-Y127 HydrophobicContact CG-CE2 4.15Å; E93-Y127 WeakPolarHBondContact OE1-CE2 3.47Å; E93-Y127 VanDerWaalsContact OE1-CZ 3.3Å; E93-Y127 PolarHBondContact OE1-OH 2.88Å
94K97.4Very high96.6Very high46 Ų4665 Ų6520%0.237%0.365CS..  trans-110.9156.6168.564.9177.4-168.2173.60108.9G96 S97 E119 T122 Y124K94-G96 PolarHBondContact O-N 3.45Å; K94-S97 WeakPolarHBondContact CE-OG 3.4Å; K94-S97 WeakPolarHBondContact CG-OG 3.42Å; K94-S97 PolarHBondContact O-N 3.13Å; K94-E119 IonicContact NZ-OE1 3.05Å; K94-E119 PolarHBondContact NZ-OE1 2.87Å; K94-E119 IonicContact NZ-OE2 2.67Å; K94-E119 PolarHBondContact NZ-OE2 3.15Å; K94-T122 HydrophobicContact CB-CG2 3.9Å; K94-T122 HydrophobicContact CD-CG2 4.09Å; K94-Y124 HydrophobicContact CB-CD1 4Å; K94-Y124 HydrophobicContact CB-CE1 3.76Å; K94-Y124 HydrophobicContact CD-CE1 4.43Å; K94-Y124 HydrophobicContact CG-CE1 4.29Å
95P94.4Very high96.7Very high105 Ų10561.6 Ų61.668%0.68235%0.352SS*.THydrogen-bonded Turntrans-49.9131.9177.6-28.235.3000112.6S97 E123P95-S97 VanDerWaalsContact C-N 3.28Å; P95-S97 PolarHBondContact O-N 2.88Å; P95-E123 VanDerWaalsContact CD-O 3.31Å; P95-E123 WeakPolarHBondContact CD-O 3.45Å
96G94.4Very high96.8Very high93 Ų9361 Ų6196%0.95935%0.35SS*.THydrogen-bonded Turntrans75.18.4179.500000115.5K94K94-G96 PolarHBondContact O-N 3.45Å
97S95.3Very high96.8Very high35 Ų3567.1 Ų67.125%0.24537%0.365CS..SBendtrans-121.6148.4174.6-64.10000111.5K94 P95K94-S97 WeakPolarHBondContact CE-OG 3.4Å; K94-S97 WeakPolarHBondContact CG-OG 3.42Å; K94-S97 PolarHBondContact O-N 3.13Å; P95-S97 VanDerWaalsContact C-N 3.28Å; P95-S97 PolarHBondContact O-N 2.88Å
98P94.9Very high96.8Very high101 Ų10170.2 Ų70.266%0.65639%0.385SS*.PPolyproline II helixtrans-68.4152.5174.428.8-34.7000111.6R100P98-R100 PolarHBondContact O-N 3.22Å
99P95.8Very high96.5Very high70 Ų7073.4 Ų73.446%0.45542%0.418SS..PPolyproline II helixtrans-60.4133.9174.6-15.421.5000112.8K91 E93K91-P99 HydrophobicContact CB-CB 4.43Å; K91-P99 HydrophobicContact CD-CB 4.38Å; E93-P99 HydrophobicContact CB-CB 4.26Å; E93-P99 HydrophobicContact CB-CG 4.41Å; E93-P99 WeakPolarHBondContact OE2-CD 3.42Å; E93-P99 VanDerWaalsContact OE2-CG 3.3Å; E93-P99 WeakPolarHBondContact OE2-CG 3.26Å
100R97.8Very high96.5Very high137 Ų13775.9 Ų75.952%0.51743%0.433SS..EExtended strand (participates in β ladder)trans-103.1156.7170.8-63.1-178.6-177.5-176.50.8109.9K91 Y92 P98K91-R100 CarbonylContact C-O 3.54Å; K91-R100 WeakPolarHBondContact CA-O 3.02Å; K91-R100 WeakPolarHBondContact CB-O 3.33Å; Y92-R100 HydrophobicContact CD1-CB 4.25Å; Y92-R100 HydrophobicContact CD2-CB 4.41Å; Y92-R100 HydrophobicContact CE1-CB 3.71Å; Y92-R100 HydrophobicContact CE2-CB 3.89Å; Y92-R100 HydrophobicContact CE2-CG 4.45Å; Y92-R100 VanDerWaalsContact CZ-CB 3.5Å; Y92-R100 PolarHBondContact N-O 3.23Å; Y92-R100 PolarHBondContact O-N 2.88Å; P98-R100 PolarHBondContact O-N 3.22Å
101E97.6Very high96.4Very high61 Ų6178.5 Ų78.529%0.28545%0.449SS..EExtended strand (participates in β ladder)trans-109.7142.7178.5-169.2172.7126.600110.5I89 I90 R105I89-E101 HydrophobicContact CG2-CG 4.1Å; I90-E101 WeakPolarHBondContact O-CA 3.35Å; E101-R105 IonicContact OE1-CZ 3.96Å; E101-R105 IonicContact OE1-NE 2.62Å; E101-R105 PolarHBondContact OE1-NE 2.84Å; E101-R105 IonicContact OE1-NH2 2.77Å; E101-R105 PolarHBondContact OE1-NH2 2.98Å; E101-R105 IonicContact OE2-NH2 3.52Å; E101-R105 PolarHBondContact OE2-NH2 2.98Å
102V97.8Very high96.4Very high19 Ų1979.5 Ų79.512%0.11546%0.455CS..  trans-76.7130171.4-179.50000109.4I90 Y92 I115I90-V102 HydrophobicContact CB-CB 4.1Å; I90-V102 HydrophobicContact CB-CG2 3.87Å; I90-V102 HydrophobicContact CG2-CG2 3.73Å; I90-V102 PolarHBondContact O-N 2.87Å; Y92-V102 HydrophobicContact CD1-CG2 3.97Å; Y92-V102 HydrophobicContact CE1-CG2 4.09Å; V102-I115 HydrophobicContact CG2-CD1 4.45Å; V102-I115 HydrophobicContact CG2-CG1 3.95Å; V102-I115 HydrophobicContact CG2-CG2 4.23Å
103V95.6Very high96.4Very high125 Ų12578.9 Ų78.976%0.75846%0.456SS*.SBendtrans-125.6132.4179.4-178.20000109.2
104P95.9Very high96.4Very high111 Ų11180.2 Ų80.272%0.72147%0.467SS*.SBendcis-73.8157.2-0.531.9-35.7000113.1
105R96.7Very high96.5Very high129 Ų12978 Ų7849%0.48746%0.458SS..PPolyproline II helixtrans-61.2134.6174.2-73.9-178.5-177.2178.6-1.7111Y88 E101 R107Y88-R105 WeakPolarHBondContact O-CB 3.41Å; E101-R105 IonicContact OE1-CZ 3.96Å; E101-R105 IonicContact OE1-NE 2.62Å; E101-R105 PolarHBondContact OE1-NE 2.84Å; E101-R105 IonicContact OE1-NH2 2.77Å; E101-R105 PolarHBondContact OE1-NH2 2.98Å; E101-R105 IonicContact OE2-NH2 3.52Å; E101-R105 PolarHBondContact OE2-NH2 2.98Å; R105-R107 PolarHBondContact O-N 2.84Å
106P97.2Very high96.6Very high15 Ų1577.5 Ų77.510%0.09745%0.452CS..PPolyproline II helixtrans-60.7134.9174.8-21.631.3000112W78 G87 Y88 I90 V110 A113W78-P106 HydrophobicContact CH2-CB 4.47Å; W78-P106 HydrophobicContact CH2-CG 4.33Å; W78-P106 HydrophobicContact CZ2-CB 4.48Å; G87-P106 WeakPolarHBondContact CA-O 3.12Å; Y88-P106 HydrophobicContact CD2-CB 4.15Å; Y88-P106 PolarHBondContact N-O 2.86Å; I90-P106 HydrophobicContact CD1-CG 3.71Å; I90-P106 HydrophobicContact CG1-CG 4.13Å; P106-V110 HydrophobicContact CB-CB 4.21Å; P106-V110 HydrophobicContact CB-CG1 4.13Å; P106-A113 HydrophobicContact CG-CB 4.41Å
107R96.9Very high96.7Very high198 Ų19876 Ų7675%0.74744%0.437SS*.PPolyproline II helixtrans-71.9160.6176.7-70.7-179.2-172.4-101.81.7110.9R105 V110R105-R107 PolarHBondContact O-N 2.84Å; R107-V110 HydrophobicContact CB-CG2 4.27Å; R107-V110 WeakPolarHBondContact O-CB 3.25Å; R107-V110 PolarHBondContact O-N 3.32Å
108P95.4Very high96.8Very high70 Ų7074.8 Ų74.846%0.45543%0.428SS..THydrogen-bonded Turntrans-59.9142.7171.427.3-34.2000109.9I85 T86 V110I85-P108 HydrophobicContact CG1-CB 4.25Å; T86-P108 WeakPolarHBondContact O-CD 3.17Å; P108-V110 VanDerWaalsContact C-N 3.31Å
109G93.4Very high96.9Very high68 Ų6874.1 Ų74.170%0.70142%0.416SS*.THydrogen-bonded Turntrans88.8-17.3-174.900000114.9
110V96.6Very high97Very high57 Ų5773.2 Ų73.235%0.34541%0.41SS..  trans-76.7134171.2179.60000109.7W78 Y88 P106 R107 P108 E112W78-V110 WeakPolarHBondContact CZ2-O 3.46Å; Y88-V110 WeakPolarHBondContact CE2-O 3.46Å; P106-V110 HydrophobicContact CB-CB 4.21Å; P106-V110 HydrophobicContact CB-CG1 4.13Å; R107-V110 HydrophobicContact CB-CG2 4.27Å; R107-V110 WeakPolarHBondContact O-CB 3.25Å; R107-V110 PolarHBondContact O-N 3.32Å; P108-V110 VanDerWaalsContact C-N 3.31Å; V110-E112 WeakPolarHBondContact CG1-O 3.47Å
111T97.6Very high97Very high56 Ų5667.8 Ų67.834%0.34440%0.397SS..  trans-123.47.2-179.651.20000113.2S77 W78 A80S77-T111 CarbonylContact C-O 3.46Å; S77-T111 VanDerWaalsContact CA-O 3.23Å; S77-T111 WeakPolarHBondContact CA-O 3.41Å; W78-T111 PolarHBondContact N-O 2.87Å; W78-T111 WeakPolarHBondContact O-CB 2.99Å; A80-T111 HydrophobicContact CB-CG2 4.47Å
112E98.1Very high97Very high99 Ų9966.3 Ų66.346%0.46339%0.392SS..EExtended strand (participates in β ladder)trans-141147.6-178.3-70.8-179.2-171.100110.9L67 V76 V110L67-E112 HydrophobicContact CD1-CG 4.38Å; V76-E112 CarbonylContact O-C 3.53Å; V76-E112 VanDerWaalsContact O-CA 3.24Å; V76-E112 WeakPolarHBondContact O-CA 3.36Å; V110-E112 WeakPolarHBondContact CG1-O 3.47Å
113A98Very high97.1Very high15 Ų1569.8 Ų69.812%0.12441%0.407CS..EExtended strand (participates in β ladder)trans-154.6147173.500000111.6V76 W78 I90 P106V76-A113 HydrophobicContact CG2-CB 4.39Å; V76-A113 VanDerWaalsContact CG2-O 3.27Å; V76-A113 WeakPolarHBondContact CG2-O 3.3Å; V76-A113 PolarHBondContact N-O 2.91Å; V76-A113 PolarHBondContact O-N 2.9Å; W78-A113 HydrophobicContact CH2-CB 3.92Å; W78-A113 HydrophobicContact CZ3-CB 3.94Å; I90-A113 HydrophobicContact CD1-CB 3.34Å; P106-A113 HydrophobicContact CG-CB 4.41Å
114T98.1Very high97.2Very high74 Ų7464.3 Ų64.345%0.45437%0.373SS..EExtended strand (participates in β ladder)trans-98.9127.3173-50.40000109.9L74 T116L74-T114 WeakPolarHBondContact O-CA 3.48Å; T114-T116 HydrophobicContact CG2-CG2 3.76Å
115I98.3Very high97.3Very high1 Ų159.6 Ų59.61%0.00534%0.342CS..EExtended strand (participates in β ladder)trans-100.2120.9171.8-47.4-178.9000106.9S73 L74 V76 I90 Y92 V102 L118 I126S73-I115 CarbonylContact C-O 3.47Å; S73-I115 WeakPolarHBondContact CA-O 3.23Å; S73-I115 WeakPolarHBondContact CB-O 3.43Å; L74-I115 PolarHBondContact N-O 2.89Å; L74-I115 PolarHBondContact O-N 2.94Å; V76-I115 HydrophobicContact CG1-CD1 4.44Å; V76-I115 HydrophobicContact CG2-CD1 4.41Å; I90-I115 HydrophobicContact CG2-CD1 4.01Å; Y92-I115 HydrophobicContact CD1-CG2 3.61Å; Y92-I115 HydrophobicContact CD2-CG2 4.1Å; Y92-I115 HydrophobicContact CE1-CG2 3.84Å; Y92-I115 HydrophobicContact CE2-CG2 4.3Å; Y92-I115 HydrophobicContact CG-CG2 3.76Å; V102-I115 HydrophobicContact CG2-CD1 4.45Å; V102-I115 HydrophobicContact CG2-CG1 3.95Å; V102-I115 HydrophobicContact CG2-CG2 4.23Å; I115-L118 HydrophobicContact CG2-CD1 4.31Å; I115-L118 HydrophobicContact CG2-CD2 3.87Å; I115-L118 HydrophobicContact CG2-CG 4.35Å; I115-I126 HydrophobicContact CD1-CD1 3.62Å; I115-I126 HydrophobicContact CD1-CG1 4.14Å; I115-I126 HydrophobicContact CD1-CG2 3.74Å
116T97.7Very high97.4Very high93 Ų9353.5 Ų53.557%0.57132%0.319SS*.EExtended strand (participates in β ladder)trans-118.8170.3-17558.50000111.7N72 T114 L118N72-T116 CarbonylContact O-C 3.56Å; T114-T116 HydrophobicContact CG2-CG2 3.76Å; T116-L118 VanDerWaalsContact C-N 3.32Å
117G96.1Very high97.5Very high62 Ų6255.1 Ų55.164%0.63932%0.324SS*.SBendtrans71.429.3178.800000113.2N72N72-G117 PolarHBondContact O-N 2.66Å
118L97.7Very high97.6Very high9 Ų945.7 Ų45.75%0.04729%0.288CS..PPolyproline II helixtrans-84.4158.7176.8-54.4-178000111N72 L74 Y92 I115 T116 Y124 T146N72-L118 WeakPolarHBondContact CA-O 3.49Å; N72-L118 PolarHBondContact O-N 2.62Å; L74-L118 HydrophobicContact CB-CD1 4.2Å; L74-L118 HydrophobicContact CD1-CD1 3.8Å; L74-L118 HydrophobicContact CG-CD1 3.61Å; Y92-L118 HydrophobicContact CD2-CD2 3.72Å; Y92-L118 HydrophobicContact CE2-CD2 3.7Å; I115-L118 HydrophobicContact CG2-CD1 4.31Å; I115-L118 HydrophobicContact CG2-CD2 3.87Å; I115-L118 HydrophobicContact CG2-CG 4.35Å; T116-L118 VanDerWaalsContact C-N 3.32Å; L118-Y124 HydrophobicContact CB-CD2 4.42Å; L118-Y124 HydrophobicContact CB-CE2 3.72Å; L118-Y124 HydrophobicContact CD1-CD2 4.24Å; L118-Y124 HydrophobicContact CD1-CE2 4.35Å; L118-Y124 HydrophobicContact CD2-CD1 4.05Å; L118-Y124 HydrophobicContact CD2-CD2 4.36Å; L118-Y124 HydrophobicContact CD2-CE1 3.7Å; L118-Y124 HydrophobicContact CD2-CE2 4.05Å; L118-Y124 HydrophobicContact CD2-CG 4.36Å; L118-Y124 HydrophobicContact CG-CE2 4.25Å; L118-T146 HydrophobicContact CB-CG2 3.92Å; L118-T146 HydrophobicContact CD1-CG2 3.87Å
119E97.6Very high97.7Very high87 Ų8743.3 Ų43.341%0.40727%0.271SS..PPolyproline II helixtrans-85.9138.7175.6-74.6166.2-153.300110.5P71 K94 T122 Y124 T146P71-E119 CarbonylContact O-C 3.47Å; K94-E119 IonicContact NZ-OE1 3.05Å; K94-E119 PolarHBondContact NZ-OE1 2.87Å; K94-E119 IonicContact NZ-OE2 2.67Å; K94-E119 PolarHBondContact NZ-OE2 3.15Å; E119-T122 HydrophobicContact CB-CG2 4.48Å; E119-T122 WeakPolarHBondContact CB-OG1 3.29Å; E119-T122 WeakPolarHBondContact O-CB 3.43Å; E119-Y124 PolarHBondContact N-OH 3.19Å; E119-T146 PolarHBondContact O-OG1 3.1Å
120P97.9Very high97.9Very high51 Ų5140 Ų4033%0.33124%0.238SC..THydrogen-bonded Turntrans-58.9148173.8-26.235.2000113P71 T122 D147 L149P71-P120 HydrophobicContact CB-CB 4.03Å; P71-P120 HydrophobicContact CB-CG 4.01Å; P71-P120 WeakPolarHBondContact O-CA 3.37Å; P71-P120 VanDerWaalsContact O-N 3.08Å; P120-T122 PolarHBondContact O-N 2.84Å; P120-T122 PolarHBondContact O-OG1 2.76Å; P120-D147 CarbonylContact C-O 3.58Å; P120-D147 WeakPolarHBondContact CA-O 3.41Å; P120-L149 HydrophobicContact CB-CD1 4.44Å; P120-L149 HydrophobicContact CB-CG 3.84Å; P120-L149 HydrophobicContact CG-CD1 3.86Å; P120-L149 HydrophobicContact CG-CD2 4.01Å; P120-L149 HydrophobicContact CG-CG 3.55Å
121G97.3Very high97.9Very high23 Ų2338.2 Ų38.224%0.23723%0.226CC..THydrogen-bonded Turntrans58.222.2175.800000114.6K145 T146 D147G121-K145 WeakPolarHBondContact O-CE 3.5Å; G121-T146 WeakPolarHBondContact CA-O 3.49Å; G121-T146 PolarHBondContact N-O 2.93Å; G121-T146 PolarHBondContact N-OG1 3.04Å; G121-T146 VanDerWaalsContact N-OG1 3.17Å; G121-D147 PolarHBondContact N-O 3.44Å
122T98.1Very high97.7Very high30 Ų3037 Ų3718%0.18422%0.216CC..  trans-112.8133.1-171.7-60.50000110.6K94 E119 P120 Y124 K145 T146K94-T122 HydrophobicContact CB-CG2 3.9Å; K94-T122 HydrophobicContact CD-CG2 4.09Å; E119-T122 HydrophobicContact CB-CG2 4.48Å; E119-T122 WeakPolarHBondContact CB-OG1 3.29Å; E119-T122 WeakPolarHBondContact O-CB 3.43Å; P120-T122 PolarHBondContact O-N 2.84Å; P120-T122 PolarHBondContact O-OG1 2.76Å; T122-Y124 HydrophobicContact CG2-CD2 4.25Å; T122-Y124 HydrophobicContact CG2-CE2 3.7Å; T122-Y124 WeakPolarHBondContact O-CD2 3.41Å; T122-K145 WeakPolarHBondContact O-CA 3.36Å; T122-T146 PolarHBondContact N-OG1 3.48Å; T122-T146 PolarHBondContact O-N 2.76Å; T122-T146 PolarHBondContact O-OG1 2.89Å
123E98.4Very high97.1Very high93 Ų9338 Ų3844%0.43523%0.225SC..EExtended strand (participates in β ladder)trans-79.7126.2174.8-173.7170.286.600111P95P95-E123 VanDerWaalsContact CD-O 3.31Å; P95-E123 WeakPolarHBondContact CD-O 3.45Å
124Y98.5Very high96.6Very high9 Ų945 Ų454%0.03526%0.26CS..EExtended strand (participates in β ladder)trans-113.3138.7174.6-73.5-89.7000111.1Y92 E93 K94 L118 E119 T122 R143 K144 T146Y92-Y124 HydrophobicContact CD2-CD1 4.02Å; Y92-Y124 HydrophobicContact CD2-CE1 4.12Å; E93-Y124 CarbonylContact O-C 3.52Å; E93-Y124 VanDerWaalsContact O-CA 3.26Å; E93-Y124 WeakPolarHBondContact O-CA 3.49Å; K94-Y124 HydrophobicContact CB-CD1 4Å; K94-Y124 HydrophobicContact CB-CE1 3.76Å; K94-Y124 HydrophobicContact CD-CE1 4.43Å; K94-Y124 HydrophobicContact CG-CE1 4.29Å; L118-Y124 HydrophobicContact CB-CD2 4.42Å; L118-Y124 HydrophobicContact CB-CE2 3.72Å; L118-Y124 HydrophobicContact CD1-CD2 4.24Å; L118-Y124 HydrophobicContact CD1-CE2 4.35Å; L118-Y124 HydrophobicContact CD2-CD1 4.05Å; L118-Y124 HydrophobicContact CD2-CD2 4.36Å; L118-Y124 HydrophobicContact CD2-CE1 3.7Å; L118-Y124 HydrophobicContact CD2-CE2 4.05Å; L118-Y124 HydrophobicContact CD2-CG 4.36Å; L118-Y124 HydrophobicContact CG-CE2 4.25Å; E119-Y124 PolarHBondContact N-OH 3.19Å; T122-Y124 HydrophobicContact CG2-CD2 4.25Å; T122-Y124 HydrophobicContact CG2-CE2 3.7Å; T122-Y124 WeakPolarHBondContact O-CD2 3.41Å; Y124-R143 VanDerWaalsContact O-CA 3.27Å; Y124-R143 WeakPolarHBondContact O-CA 3.46Å; Y124-K144 PolarHBondContact N-O 3.19Å; Y124-K144 PolarHBondContact O-N 3.13Å; Y124-T146 HydrophobicContact CD2-CG2 4.13Å; Y124-T146 HydrophobicContact CE2-CG2 4.18Å
125T98.6Very high96.3Very high13 Ų1345 Ų458%0.0826%0.255CS..EExtended strand (participates in β ladder)trans-96.6124.7165.1-56.70000108.9Y92 E93 Y127 I141 R143Y92-T125 VanDerWaalsContact CA-O 3.29Å; Y92-T125 WeakPolarHBondContact CA-O 3.44Å; E93-T125 PolarHBondContact N-O 3.17Å; E93-T125 PolarHBondContact O-N 3.48Å; T125-Y127 HydrophobicContact CG2-CD2 4.47Å; T125-Y127 HydrophobicContact CG2-CE1 4.19Å; T125-Y127 HydrophobicContact CG2-CE2 3.73Å; T125-I141 HydrophobicContact CG2-CG2 3.6Å; T125-R143 HydrophobicContact CG2-CG 4.13Å; T125-R143 WeakPolarHBondContact OG1-CG 3.39Å; T125-R143 PolarHBondContact OG1-NE 3.13Å
126I98.5Very high96.2Very high0 Ų051.5 Ų51.50%028%0.283CS..EExtended strand (participates in β ladder)trans-107.8137.4-178.4-46.9-51.4000109.2F66 L74 I90 K91 Y92 I115 I141 G142F66-I126 HydrophobicContact CE1-CG1 3.81Å; F66-I126 HydrophobicContact CZ-CG1 4.09Å; L74-I126 HydrophobicContact CD1-CD1 4.25Å; I90-I126 HydrophobicContact CG2-CG2 4.02Å; K91-I126 CarbonylContact O-C 3.55Å; K91-I126 WeakPolarHBondContact O-CA 3.43Å; Y92-I126 VanDerWaalsContact CB-CD1 3.5Å; I115-I126 HydrophobicContact CD1-CD1 3.62Å; I115-I126 HydrophobicContact CD1-CG1 4.14Å; I115-I126 HydrophobicContact CD1-CG2 3.74Å; I126-I141 VanDerWaalsContact O-CA 3.31Å; I126-I141 WeakPolarHBondContact O-CA 3.33Å; I126-G142 PolarHBondContact N-O 2.69Å; I126-G142 PolarHBondContact O-N 2.98Å
127Y98.5Very high96.2Very high49 Ų4947.6 Ų47.619%0.19226%0.259CS..EExtended strand (participates in β ladder)trans-123.5120.1177.9-54-95.8000109.2I90 K91 E93 T125 P139 L140 I141I90-Y127 CarbonylContact C-O 3.55Å; I90-Y127 VanDerWaalsContact CA-O 3.3Å; I90-Y127 WeakPolarHBondContact CA-O 3.37Å; K91-Y127 HydrophobicContact CB-CD2 4.17Å; K91-Y127 PolarHBondContact N-O 2.75Å; K91-Y127 PolarHBondContact O-N 3.26Å; E93-Y127 HydrophobicContact CG-CE2 4.15Å; E93-Y127 WeakPolarHBondContact OE1-CE2 3.47Å; E93-Y127 VanDerWaalsContact OE1-CZ 3.3Å; E93-Y127 PolarHBondContact OE1-OH 2.88Å; T125-Y127 HydrophobicContact CG2-CD2 4.47Å; T125-Y127 HydrophobicContact CG2-CE1 4.19Å; T125-Y127 HydrophobicContact CG2-CE2 3.73Å; Y127-P139 HydrophobicContact CD1-CB 3.97Å; Y127-P139 HydrophobicContact CD1-CG 4.35Å; Y127-L140 CarbonylContact C-O 3.56Å; Y127-L140 WeakPolarHBondContact CA-O 3.44Å; Y127-I141 HydrophobicContact CD1-CD1 4.03Å; Y127-I141 HydrophobicContact CD1-CG1 3.74Å; Y127-I141 HydrophobicContact CD1-CG2 4.44Å; Y127-I141 HydrophobicContact CE1-CD1 3.81Å; Y127-I141 HydrophobicContact CE1-CG1 3.97Å; Y127-I141 HydrophobicContact CE1-CG2 4.21Å
128V98.5Very high96.3Very high0 Ų051.7 Ų51.70%026%0.262CS..EExtended strand (participates in β ladder)trans-107.9118.4172.1-171.20000108.8P61 L64 W78 Y88 I90 L140P61-V128 HydrophobicContact CB-CG1 4.35Å; P61-V128 HydrophobicContact CG-CG1 4.07Å; L64-V128 HydrophobicContact CD1-CG2 3.88Å; W78-V128 HydrophobicContact CD2-CG1 3.82Å; W78-V128 HydrophobicContact CE3-CG1 4.22Å; W78-V128 HydrophobicContact CE3-CG2 4.26Å; W78-V128 HydrophobicContact CG-CG1 4.07Å; W78-V128 HydrophobicContact CZ2-CG1 4.45Å; Y88-V128 HydrophobicContact CD1-CG1 4.15Å; I90-V128 HydrophobicContact CG1-CG1 4.34Å; I90-V128 HydrophobicContact CG1-CG2 4.43Å; V128-L140 HydrophobicContact CB-CB 4.25Å; V128-L140 PolarHBondContact N-O 2.89Å; V128-L140 PolarHBondContact O-N 3Å
129I98.4Very high96.4Very high20 Ų2053.3 Ų53.310%0.10327%0.273CS..EExtended strand (participates in β ladder)trans-120.3126.9-173.8-60.8158000108.4Y88 I89 K136 P139Y88-I129 CarbonylContact C-O 3.58Å; Y88-I129 VanDerWaalsContact CA-O 3.26Å; Y88-I129 WeakPolarHBondContact CA-O 3.32Å; I89-I129 HydrophobicContact CB-CB 4.28Å; I89-I129 HydrophobicContact CG2-CD1 4.34Å; I89-I129 PolarHBondContact N-O 3.43Å; I89-I129 PolarHBondContact O-N 2.97Å; I129-K136 HydrophobicContact CG2-CB 3.91Å; I129-K136 HydrophobicContact CG2-CG 4.34Å; I129-P139 HydrophobicContact CD1-CB 4.45Å; I129-P139 HydrophobicContact CG1-CB 3.83Å
130A98.3Very high96.4Very high0 Ų050.5 Ų50.50%026%0.26CS..EExtended strand (participates in β ladder)trans-80142.3173.400000111.1I58 P61 P81 I85 Y88 K136 S137I58-A130 HydrophobicContact CG2-CB 3.99Å; P61-A130 HydrophobicContact CG-CB 4.06Å; P81-A130 HydrophobicContact CG-CB 3.87Å; I85-A130 HydrophobicContact CG2-CB 3.9Å; Y88-A130 HydrophobicContact CD1-CB 4.41Å; Y88-A130 HydrophobicContact CE1-CB 4.41Å; A130-K136 WeakPolarHBondContact O-CA 3.32Å; A130-S137 PolarHBondContact N-OG 2.78Å; A130-S137 PolarHBondContact O-N 2.92Å
131L96.1Very high96.5Very high18 Ų1852.3 Ų52.39%0.09427%0.267CS..EExtended strand (participates in β ladder)trans-115.7139177.9-67.2178.8000111.5I85 T86 G87 I89 Q135 K136I85-L131 CarbonylContact C-O 3.58Å; I85-L131 VanDerWaalsContact CA-O 3.25Å; I85-L131 WeakPolarHBondContact CA-O 3.3Å; I85-L131 WeakPolarHBondContact CB-O 3.44Å; T86-L131 PolarHBondContact N-O 2.67Å; T86-L131 PolarHBondContact OG1-O 3.4Å; G87-L131 WeakPolarHBondContact O-CB 3.39Å; G87-L131 PolarHBondContact O-N 3.07Å; I89-L131 HydrophobicContact CD1-CD1 3.87Å; I89-L131 HydrophobicContact CD1-CD2 3.82Å; I89-L131 HydrophobicContact CD1-CG 4.18Å; I89-L131 HydrophobicContact CG1-CD1 3.65Å; I89-L131 HydrophobicContact CG1-CD2 4.27Å; I89-L131 HydrophobicContact CG1-CG 4.08Å; L131-Q135 WeakPolarHBondContact CA-O 3.34Å; L131-K136 HydrophobicContact CD2-CD 4.42Å; L131-K136 HydrophobicContact CD2-CG 3.66Å
132K92.5Very high96.5Very high32 Ų3252 Ų5214%0.13926%0.263CS..EExtended strand (participates in β ladder)trans-135.7107.8163-173.9-170.4179.1-154.90107.8G31 D33 I58 R84 T86 N134 Q135G31-K132 WeakPolarHBondContact O-CD 3.49Å; G31-K132 WeakPolarHBondContact O-CE 3.34Å; G31-K132 PolarHBondContact O-NZ 2.9Å; D33-K132 IonicContact OD2-NZ 3.13Å; I58-K132 HydrophobicContact CD1-CB 3.46Å; I58-K132 VanDerWaalsContact CD1-CB 3.46Å; I58-K132 VanDerWaalsContact CD1-N 3.33Å; I58-K132 HydrophobicContact CG1-CB 4.11Å; R84-K132 WeakPolarHBondContact O-CD 3.25Å; R84-K132 WeakPolarHBondContact O-CG 3.27Å; T86-K132 WeakPolarHBondContact OG1-CA 3.17Å; K132-N134 PolarHBondContact O-N 2.82Å; K132-N134 VanDerWaalsContact O-N 3.1Å; K132-Q135 PolarHBondContact N-O 3Å; K132-Q135 VanDerWaalsContact N-O 3.07Å; K132-Q135 WeakPolarHBondContact O-CB 3.5Å; K132-Q135 PolarHBondContact O-N 3.37Å
133N86.3Confident96.5Very high120 Ų12058.5 Ų58.564%0.64228%0.284SS*.THydrogen-bonded Turntrans53.6-115.8-171.8-53.9-32.3000110.1T86T86-N133 PolarHBondContact OG1-N 2.84Å; T86-N133 VanDerWaalsContact OG1-N 3.13Å
134N87.1Confident96.5Very high161 Ų16157.8 Ų57.886%0.86128%0.279SS*.THydrogen-bonded Turntrans-95.9-1.9179.4-65.78.4000113.5K132K132-N134 PolarHBondContact O-N 2.82Å; K132-N134 VanDerWaalsContact O-N 3.1Å
135Q92.3Very high96.5Very high74 Ų7462.1 Ų62.135%0.34630%0.298SS..EExtended strand (participates in β ladder)trans-87.7147.1178.6-68.7176.5-19.700111.1I58 L131 K132I58-Q135 HydrophobicContact CD1-CB 3.67Å; I58-Q135 WeakPolarHBondContact CD1-O 3.26Å; I58-Q135 HydrophobicContact CG1-CB 4.19Å; L131-Q135 WeakPolarHBondContact CA-O 3.34Å; K132-Q135 PolarHBondContact N-O 3Å; K132-Q135 VanDerWaalsContact N-O 3.07Å; K132-Q135 WeakPolarHBondContact O-CB 3.5Å; K132-Q135 PolarHBondContact O-N 3.37Å
136K96.4Very high96.5Very high138 Ų13861.7 Ų61.760%0.630%0.296SS*.EExtended strand (participates in β ladder)trans-122.3143.3177.3-63-176179.81220109I129 A130 L131I129-K136 HydrophobicContact CG2-CB 3.91Å; I129-K136 HydrophobicContact CG2-CG 4.34Å; A130-K136 WeakPolarHBondContact O-CA 3.32Å; L131-K136 HydrophobicContact CD2-CD 4.42Å; L131-K136 HydrophobicContact CD2-CG 3.66Å
137S98.3Very high96.4Very high10 Ų1065.3 Ų65.37%0.0732%0.315CS..PPolyproline II helixtrans-75.1169.9165.471.20000111I58 A130I58-S137 WeakPolarHBondContact O-CB 3.34Å; A130-S137 PolarHBondContact N-OG 2.78Å; A130-S137 PolarHBondContact O-N 2.92Å
138E98.2Very high96.3Very high148 Ų14869 Ų6969%0.69233%0.334SS*.PPolyproline II helixtrans-57.4149.4156.5-68.6-56.3136.600110.4A60A60-E138 HydrophobicContact CB-CB 4.38Å; A60-E138 VanDerWaalsContact CB-O 3.23Å; A60-E138 WeakPolarHBondContact CB-O 3.33Å
139P98.3Very high96Very high44 Ų4474.3 Ų74.329%0.28636%0.362SS..PPolyproline II helixtrans-76.3138-18030.4-33.6000111.5Y127 I129 I141Y127-P139 HydrophobicContact CD1-CB 3.97Å; Y127-P139 HydrophobicContact CD1-CG 4.35Å; I129-P139 HydrophobicContact CD1-CB 4.45Å; I129-P139 HydrophobicContact CG1-CB 3.83Å; P139-I141 HydrophobicContact CB-CG1 4.1Å; P139-I141 HydrophobicContact CG-CD1 4.09Å; P139-I141 HydrophobicContact CG-CG1 4.11Å
140L98.6Very high95.4Very high27 Ų2779 Ų7914%0.14139%0.393CS..EExtended strand (participates in β ladder)trans-81.2119.9159.5175.663.6000108.8P61 L64 W78 Y127 V128P61-L140 HydrophobicContact CB-CB 4.2Å; P61-L140 HydrophobicContact CB-CD2 3.91Å; P61-L140 WeakPolarHBondContact O-CB 3.44Å; L64-L140 HydrophobicContact CB-CD1 4.2Å; L64-L140 HydrophobicContact CB-CD2 3.67Å; L64-L140 HydrophobicContact CB-CG 3.83Å; L64-L140 HydrophobicContact CD1-CD2 4.39Å; L64-L140 HydrophobicContact CD2-CG 4.45Å; L64-L140 HydrophobicContact CG-CD2 4.5Å; W78-L140 HydrophobicContact CB-CD2 3.85Å; Y127-L140 CarbonylContact C-O 3.56Å; Y127-L140 WeakPolarHBondContact CA-O 3.44Å; V128-L140 HydrophobicContact CB-CB 4.25Å; V128-L140 PolarHBondContact N-O 2.89Å; V128-L140 PolarHBondContact O-N 3Å
141I98.4Very high94.5Very high90 Ų9087.4 Ų87.446%0.46243%0.433SS..EExtended strand (participates in β ladder)trans-111139.4-171.4-51.3178.8000110.7T125 I126 Y127 P139T125-I141 HydrophobicContact CG2-CG2 3.6Å; I126-I141 VanDerWaalsContact O-CA 3.31Å; I126-I141 WeakPolarHBondContact O-CA 3.33Å; Y127-I141 HydrophobicContact CD1-CD1 4.03Å; Y127-I141 HydrophobicContact CD1-CG1 3.74Å; Y127-I141 HydrophobicContact CD1-CG2 4.44Å; Y127-I141 HydrophobicContact CE1-CD1 3.81Å; Y127-I141 HydrophobicContact CE1-CG1 3.97Å; Y127-I141 HydrophobicContact CE1-CG2 4.21Å; P139-I141 HydrophobicContact CB-CG1 4.1Å; P139-I141 HydrophobicContact CG-CD1 4.09Å; P139-I141 HydrophobicContact CG-CG1 4.11Å
142G98.2Very high93.5Very high15 Ų1594.5 Ų94.516%0.15547%0.47CS..EExtended strand (participates in β ladder)trans-152156.9167.800000111.8I126I126-G142 PolarHBondContact N-O 2.69Å; I126-G142 PolarHBondContact O-N 2.98Å
143R98.2Very high92.3Very high167 Ų16799.2 Ų99.263%0.6350%0.501SS*.EExtended strand (participates in β ladder)trans-120142.5179.1-63.9-174-179.5160.74.8110.7Y124 T125Y124-R143 VanDerWaalsContact O-CA 3.27Å; Y124-R143 WeakPolarHBondContact O-CA 3.46Å; T125-R143 HydrophobicContact CG2-CG 4.13Å; T125-R143 WeakPolarHBondContact OG1-CG 3.39Å; T125-R143 PolarHBondContact OG1-NE 3.13Å
144K98.3Very high91Very high78 Ų7899.1 Ų99.134%0.33951%0.505SS..EExtended strand (participates in β ladder)trans-151.2133.5175.1-171.567.2175-174.90110.1F66 T69 L74 Y124F66-K144 HydrophobicContact CB-CD 4.21Å; F66-K144 HydrophobicContact CB-CG 4.28Å; F66-K144 HydrophobicContact CD1-CB 3.52Å; F66-K144 HydrophobicContact CD1-CD 4.43Å; F66-K144 HydrophobicContact CD1-CG 3.74Å; F66-K144 HydrophobicContact CD2-CB 4.11Å; F66-K144 HydrophobicContact CD2-CD 4.29Å; F66-K144 HydrophobicContact CD2-CG 4.38Å; F66-K144 HydrophobicContact CE1-CB 3.38Å; F66-K144 HydrophobicContact CE1-CG 4.15Å; F66-K144 HydrophobicContact CE2-CB 3.99Å; F66-K144 HydrophobicContact CG-CB 3.89Å; F66-K144 HydrophobicContact CG-CD 4.05Å; F66-K144 HydrophobicContact CG-CG 3.87Å; F66-K144 HydrophobicContact CZ-CB 3.64Å; T69-K144 WeakPolarHBondContact OG1-CE 3.48Å; L74-K144 HydrophobicContact CD1-CB 4.1Å; L74-K144 HydrophobicContact CD1-CG 4.41Å; L74-K144 HydrophobicContact CD2-CB 4.31Å; L74-K144 HydrophobicContact CD2-CG 3.71Å; Y124-K144 PolarHBondContact N-O 3.19Å; Y124-K144 PolarHBondContact O-N 3.13Å
145K98.3Very high89.5Confident100 Ų10098 Ų9844%0.43550%0.498SS..EExtended strand (participates in β ladder)trans-82.4131.1167.9-163.5-173.3177.2-163.50109G121 T122 E148G121-K145 WeakPolarHBondContact O-CE 3.5Å; T122-K145 WeakPolarHBondContact O-CA 3.36Å; K145-E148 IonicContact NZ-OE1 2.87Å; K145-E148 PolarHBondContact NZ-OE1 3.41Å
146T98.1Very high87.6Confident4 Ų4100.1 Ų100.13%0.02552%0.519CS..PPolyproline II helixtrans-68.6158169.348.40000110.6T70 L74 L118 E119 G121 T122 Y124T70-T146 WeakPolarHBondContact O-CB 3.06Å; L74-T146 HydrophobicContact CD2-CG2 4.41Å; L74-T146 HydrophobicContact CG-CG2 4.4Å; L118-T146 HydrophobicContact CB-CG2 3.92Å; L118-T146 HydrophobicContact CD1-CG2 3.87Å; E119-T146 PolarHBondContact O-OG1 3.1Å; G121-T146 WeakPolarHBondContact CA-O 3.49Å; G121-T146 PolarHBondContact N-O 2.93Å; G121-T146 PolarHBondContact N-OG1 3.04Å; G121-T146 VanDerWaalsContact N-OG1 3.17Å; T122-T146 PolarHBondContact N-OG1 3.48Å; T122-T146 PolarHBondContact O-N 2.76Å; T122-T146 PolarHBondContact O-OG1 2.89Å; Y124-T146 HydrophobicContact CD2-CG2 4.13Å; Y124-T146 HydrophobicContact CE2-CG2 4.18Å
147D97.8Very high85.7Confident76 Ų76101.3 Ų101.341%0.40653%0.526SS..PPolyproline II helixtrans-68.2157.1176.7-59.4-34.8000110.7T69 T70 P71 P120 G121T69-D147 VanDerWaalsContact C-OD2 3.31Å; T70-D147 WeakPolarHBondContact CA-OD2 3.4Å; T70-D147 PolarHBondContact O-N 3.41Å; P71-D147 VanDerWaalsContact CA-O 3.23Å; P71-D147 WeakPolarHBondContact CA-O 3.42Å; P71-D147 WeakPolarHBondContact CB-O 3.42Å; P71-D147 HydrophobicContact CG-CB 3.98Å; P120-D147 CarbonylContact C-O 3.58Å; P120-D147 WeakPolarHBondContact CA-O 3.41Å; G121-D147 PolarHBondContact N-O 3.44Å
148E96.1Very high83.5Confident126 Ų126106.6 Ų106.659%0.58956%0.56SS**PPolyproline II helixtrans-79.6152.1173.1-66.5177-171.700109.5K145K145-E148 IonicContact NZ-OE1 2.87Å; K145-E148 PolarHBondContact NZ-OE1 3.41Å
149L92.8Very high80.9Confident113 Ų113106.1 Ų106.159%0.59256%0.562SS**PPolyproline II helixtrans-64.3141.6171.5-74.2172.2000109.1P71 P120 Q151P71-L149 HydrophobicContact CB-CD2 3.89Å; P71-L149 HydrophobicContact CB-CG 4.46Å; P71-L149 HydrophobicContact CG-CD2 4.33Å; P120-L149 HydrophobicContact CB-CD1 4.44Å; P120-L149 HydrophobicContact CB-CG 3.84Å; P120-L149 HydrophobicContact CG-CD1 3.86Å; P120-L149 HydrophobicContact CG-CD2 4.01Å; P120-L149 HydrophobicContact CG-CG 3.55Å; L149-Q151 PolarHBondContact O-N 3.22Å
150P85.1Confident78.6Confident117 Ų117111.1 Ų111.176%0.7659%0.586SS**PPolyproline II helixtrans-57.6127.7171.223.6-31000108.9L152P150-L152 PolarHBondContact O-N 2.88Å
151Q79.6Confident76.1Confident178 Ų178118.2 Ų118.283%0.83262%0.618SS**PPolyproline II helixtrans-71.4128.8171.6-64.8-167-20.600108.5L149 V153L149-Q151 PolarHBondContact O-N 3.22Å; Q151-V153 PolarHBondContact O-N 2.83Å; Q151-V153 VanDerWaalsContact O-N 3.12Å
152L74.9Confident73.9Confident166 Ų166116.1 Ų116.187%0.86962%0.618SS**  trans-64.1112.4165.5-88.9133.1000107.4P150 T154P150-L152 PolarHBondContact O-N 2.88Å; L152-T154 PolarHBondContact O-N 2.78Å
153V66.4Low71.6Confident132 Ų132120.9 Ų120.980%0.865%0.647SS**  trans-65.9102.1166.7-177.50000106.3Q151 L155Q151-V153 PolarHBondContact O-N 2.83Å; Q151-V153 VanDerWaalsContact O-N 3.12Å; V153-L155 PolarHBondContact O-N 2.79Å
154T58.8Low69.2Low118 Ų118121.2 Ų121.272%0.72466%0.655SS**  trans-66.9112.9162.938.40000106.6L152L152-T154 PolarHBondContact O-N 2.78Å
155L57.4Low67Low136 Ų136123.7 Ų123.771%0.71267%0.671SS**  trans-52.9134165.3-79156.7000107.2V153 H157V153-L155 PolarHBondContact O-N 2.79Å; L155-H157 PolarHBondContact O-N 2.86Å
156P52.4Low64.3Low119 Ų119125.9 Ų125.977%0.77369%0.687SS**  trans-58.6108169.522.4-29.2000107.2P158P156-P158 WeakPolarHBondContact O-CD 3.27Å
157H55.8Low62Low163 Ų163132.6 Ų132.676%0.75572%0.723SS**  trans-61.7121.6167.7-62.9156.9000106.5L155 N159L155-H157 PolarHBondContact O-N 2.86Å; H157-N159 PolarHBondContact O-N 2.88Å; H157-N159 VanDerWaalsContact O-N 3.17Å
158P52.6Low59.8Low121 Ų121133.7 Ų133.779%0.78673%0.732SS**  trans-59.3124.4171-13.226.2000107.4P156 L160P156-P158 WeakPolarHBondContact O-CD 3.27Å; P158-L160 PolarHBondContact O-N 2.75Å
159N43.3Very low57.1Low139 Ų139133 Ų13374%0.74374%0.738SS**  trans-18.6101.1174.7-76.3-33.5000114.7H157 H161H157-N159 PolarHBondContact O-N 2.88Å; H157-N159 VanDerWaalsContact O-N 3.17Å; N159-H161 PolarHBondContact O-N 2.94Å
160L49.5Very low54.6Low149 Ų149132.6 Ų132.678%0.7875%0.745SS**  trans-77.675.8156.7-106.6136.4000107.7P158P158-L160 PolarHBondContact O-N 2.75Å
161H46.2Very low52.5Low175 Ų175133 Ų13381%0.8175%0.746SS**  trans-91.494.2156.8-78.9-25.3000107.9N159N159-H161 PolarHBondContact O-N 2.94Å
162G53.1Low50.8Low46 Ų46130.8 Ų130.847%0.47474%0.744SS.*SBendtrans172.1132.5168.800000110E164G162-E164 PolarHBondContact O-N 2.57Å
163P48.5Very low49Very low115 Ų115131.2 Ų131.275%0.74774%0.741SS**  trans-66.7124.3176.829-30.8000108.3I165P163-I165 PolarHBondContact O-N 3.15Å
164E49Very low47.5Very low174 Ų174134.5 Ų134.581%0.81375%0.745SS**  trans-73.678.8170.1-159.5173.6-159.100107.6G162 L166G162-E164 PolarHBondContact O-N 2.57Å; E164-L166 PolarHBondContact O-N 2.77Å
165I50.3Low46.3Very low130 Ų130134.7 Ų134.767%0.66775%0.746SS**  trans-68.4111.8159.3-63.7174.4000104.6P163 D167P163-I165 PolarHBondContact O-N 3.15Å; I165-D167 PolarHBondContact O-N 2.98Å
166L43.6Very low45.4Very low146 Ų146133.2 Ų133.276%0.76475%0.745SS**  trans-63.287.8169.3-16179.5000107.6E164 V168E164-L166 PolarHBondContact O-N 2.77Å; L166-V168 PolarHBondContact O-N 3.04Å
167D48.2Very low44.5Very low146 Ų146137.6 Ų137.678%0.78175%0.752SS**  trans-74.397.1-179.6-141.811.7000108I165 P169I165-D167 PolarHBondContact O-N 2.98Å; D167-P169 WeakPolarHBondContact O-CD 3.39Å
168V51.3Low43.5Very low99 Ų99137.6 Ų137.660%0.676%0.756SS**  trans-69.5118.1166.9178.50000106.3L166 S170L166-V168 PolarHBondContact O-N 3.04Å; V168-S170 PolarHBondContact O-N 3.01Å
169P39.3Very low42.5Very low112 Ų112137.5 Ų137.573%0.72775%0.753SS**  trans-67.8100.5176.926.5-30.6000108.6D167 T171D167-P169 WeakPolarHBondContact O-CD 3.39Å; P169-T171 VanDerWaalsContact C-N 3.34Å; P169-T171 PolarHBondContact O-N 3.08Å; P169-T171 VanDerWaalsContact O-N 3.09Å
170S41.7Very low41.9Very low103 Ų103137.7 Ų137.772%0.7275%0.754SS**  trans-7787.6168.1-64.30000108.1V168 V172V168-S170 PolarHBondContact O-N 3.01Å; S170-V172 PolarHBondContact O-N 2.85Å
171T40.5Very low41.6Very low127 Ų127135.9 Ų135.978%0.77975%0.751SS**  trans-74.182.1164.4530000108.9P169 Q173P169-T171 VanDerWaalsContact C-N 3.34Å; P169-T171 PolarHBondContact O-N 3.08Å; P169-T171 VanDerWaalsContact O-N 3.09Å; T171-Q173 VanDerWaalsContact C-N 3.34Å; T171-Q173 PolarHBondContact O-N 2.87Å
172V43.1Very low40.9Very low131 Ų131130.5 Ų130.579%0.79474%0.743SS**  trans-83.188.6159.31800000106.9S170 K174S170-V172 PolarHBondContact O-N 2.85Å; V172-K174 PolarHBondContact O-N 2.88Å
173Q37.6Very low39.9Very low175 Ų175135.7 Ų135.782%0.81877%0.766SS**  trans-89.2104.5167.7-144.8169.5-4.400108.1T171 T175T171-Q173 VanDerWaalsContact C-N 3.34Å; T171-Q173 PolarHBondContact O-N 2.87Å; Q173-T175 PolarHBondContact O-N 2.86Å
174K35.8Very low39.2Very low200 Ų200133.1 Ų133.187%0.8776%0.76SS**  trans-76.7104.1174.8-163.3175.8-170.4176.90108V172V172-K174 PolarHBondContact O-N 2.88Å
175T33.8Very low38.5Very low122 Ų122130.7 Ų130.775%0.74876%0.763SS**PPolyproline II helixtrans-97.5132.6173.3-32.60000109.4Q173Q173-T175 PolarHBondContact O-N 2.86Å
176P37.5Very low37.7Very low106 Ų106128.8 Ų128.869%0.68876%0.761SS**PPolyproline II helixtrans-79.1157.1-172.830-31.4000113.1
177F34Very low37.2Very low211 Ų211129.4 Ų129.493%0.92576%0.764SS**PPolyproline II helixtrans-61129170.9-69.5-89.5000111.5
178I34.7Very low36.7Very low163 Ų163127 Ų12784%0.83676%0.759SS**  trans-136.6140.1155.7-61.3-176.6000109.1
179T31.4Very low36.1Very low118 Ų118129.1 Ų129.172%0.72477%0.766SS**  trans-84.5153.4-163.1-31.30000114.4
180N30.9Very low35.9Very low144 Ų144130 Ų13077%0.7777%0.765SS**  trans84.1160.4144.8-106.825.8000120
181P43.5Very low35.8Very low111 Ų111132.9 Ų132.972%0.72177%0.767SS**  -132.1174.6-63.734.9-16.5000112.2
182G31Very low35.7Very low62 Ų62133 Ų13364%0.63976%0.762SS**  trans114.7110.114400000118.4
183T32.7Very low35.6Very low154 Ų154133.5 Ų133.595%0.94576%0.759SS**  trans62.2124.1134.455.50000118.8
184G33.3Very low35.9Very low61 Ų61133.3 Ų133.363%0.62976%0.764SS**  cis173.6163.24.300000109.7
185S33.8Very low36.2Very low124 Ų124127.3 Ų127.387%0.86775%0.752SS**  trans56.6133.914852.40000118.8
186S33.2Very low36.4Very low90 Ų90128 Ų12863%0.62976%0.756SS**  cis168.9149.316164.40000108
187L34.6Very low37.1Very low159 Ų159128.8 Ų128.883%0.83276%0.761SS**  trans67.8148.1154.3-66.4159000117.6
188S36.8Very low37.1Very low96 Ų96121.5 Ų121.567%0.67175%0.746SS**  cis-176.1129.7-1.6360000104.4
189D38.1Very low37.5Very low142 Ų142121.6 Ų121.676%0.75974%0.742SS**  65.9123.298.2-121.821000117
190N35.1Very low38Very low131 Ų131129 Ų12970%0.70177%0.765SS**  trans78.6133.4143.6-69.2-33.5000124.4
191H41.4Very low38.4Very low163 Ų163128.3 Ų128.376%0.75577%0.765SS**  113.398126-125.378.9000119.9
192L38Very low38.1Very low129 Ų129129.2 Ų129.268%0.67577%0.767SS**  23.5130.7115.7-150.472.2000121
193L40.6Very low38.5Very low142 Ų142132.9 Ų132.974%0.74377%0.774SS**  trans50.9126.1149.3-68.2165.5000120.2
194D43.8Very low38.8Very low171 Ų171131.6 Ų131.691%0.91476%0.764SS**  -157.8153.5118.9-118.9-20.5000113
195A41.7Very low39.2Very low75 Ų75136.1 Ų136.162%0.6277%0.773SS**  trans-114.7157.6-170.400000112.2
196V38.6Very low39.5Very low136 Ų136136.9 Ų136.982%0.82477%0.766SS**  trans61.4170.9156.1-1080000118.9
197P51.7Low40Very low122 Ų122140.2 Ų140.279%0.79278%0.776SS**  cis-136.9177.1-20.727.8-6000115.1
198G35.1Very low40.4Very low59 Ų59138.8 Ų138.861%0.60877%0.772SS**  125.1124.2126.900000119.5
199E41.6Very low40.7Very low165 Ų165142.3 Ų142.377%0.77178%0.78SS**  trans64.5128.8144.3-42.7-64.4111.900118.3
200F42.7Very low40.9Very low273 Ų273142.4 Ų142.4100%1.19778%0.782SS**  cis-143033.5-74.5-95.7000112.3

Retrieved 200 of 200 residues in 365 ms (Link to these results)