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Isoform 8 of Cellular tumor antigen p53 AlphaSync

Canonical isoform description: Multifunctional transcription factor that induces cell cycle arrest, DNA repair or apoptosis upon binding to its target DNA sequence1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17. Acts as a tumor suppressor in many tumor types; induces growth arrest or apoptosis depending on the physiological circumstances and cell type18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33. Negatively regulates cell division by controlling expression of a set of genes required for this process34,35,36,37,38,39,40,41,42,43,44,45,46,47. One of the activated genes is an inhibitor of cyclin-dependent kinases. Apoptosis induction seems to be mediated either by stimulation of BAX and FAS antigen expression, or by repression of Bcl-2 expression48,49. Its pro-apoptotic activity is activated via its interaction with PPP1R13B/ASPP1 or TP53BP2/ASPP250. However, this activity is inhibited when the interaction with PPP1R13B/ASPP1 or TP53BP2/ASPP2 is displaced by PPP1R13L/iASPP51. In cooperation with mitochondrial PPIF is involved in activating oxidative stress-induced necrosis; the function is largely independent of transcription. Induces the transcription of long intergenic non-coding RNA p21 (lincRNA-p21) and lincRNA-Mkln1. LincRNA-p21 participates in TP53-dependent transcriptional repression leading to apoptosis and seems to have an effect on cell-cycle regulation. Implicated in Notch signaling cross-over. Prevents CDK7 kinase activity when associated to CAK complex in response to DNA damage, thus stopping cell cycle progression. Isoform 2 enhances the transactivation activity of isoform 1 from some but not all TP53-inducible promoters. Isoform 4 suppresses transactivation activity and impairs growth suppression mediated by isoform 1. Isoform 7 inhibits isoform 1-mediated apoptosis. Regulates the circadian clock by repressing CLOCK-BMAL1-mediated transcriptional activation of PER252.

AlphaFold DB , UniProt , Accession P04637-8 (canonical: P04637), Species HUMAN (Homo sapiens, Human), Gene TP53, Length 209 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
1M97.5Very high98.1Very high20 Ų2044.8 Ų44.810%0.09924%0.24CC..  0130.50178.4-177.2-75.800110.3C9 V11 Y104 F138 E139 V140 R141 F196M1-C9 HydrophobicContact CE-CB 4.16Å; M1-C9 HydrophobicContact SD-CB 3.85Å; M1-V11 HydrophobicContact CE-CG2 3.71Å; M1-Y104 HydrophobicContact SD-CE2 3.88Å; M1-F138 HydrophobicContact CB-CD2 3.85Å; M1-F138 HydrophobicContact CB-CE2 4.1Å; M1-F138 HydrophobicContact CE-CD2 4.31Å; M1-F138 HydrophobicContact CE-CE2 3.61Å; M1-F138 HydrophobicContact CE-CZ 3.99Å; M1-F138 HydrophobicContact SD-CD2 4.46Å; M1-F138 HydrophobicContact SD-CE2 3.75Å; M1-E139 PolarHBondContact N-O 2.95Å; M1-V140 HydrophobicContact CB-CG2 4.34Å; M1-V140 WeakPolarHBondContact O-CA 3.25Å; M1-V140 HydrophobicContact SD-CG2 4.49Å; M1-R141 PolarHBondContact O-N 3.45Å; M1-F196 HydrophobicContact CB-CD1 4.27Å; M1-F196 HydrophobicContact CB-CD2 4.35Å; M1-F196 HydrophobicContact CB-CE1 3.82Å; M1-F196 HydrophobicContact CB-CE2 3.89Å; M1-F196 HydrophobicContact CB-CZ 3.63Å; M1-F196 HydrophobicContact CE-CB 4.14Å; M1-F196 HydrophobicContact CE-CD2 3.28Å; M1-F196 HydrophobicContact CE-CE2 3.8Å; M1-F196 HydrophobicContact CE-CG 3.7Å; M1-F196 HydrophobicContact CG-CD2 4.12Å; M1-F196 HydrophobicContact CG-CE1 4.46Å; M1-F196 HydrophobicContact CG-CE2 3.61Å; M1-F196 HydrophobicContact CG-CZ 3.83Å
2F98.5Very high98.1Very high48 Ų4843 Ų4321%0.21123%0.229CC..EExtended strand (participates in β ladder)trans-116.6124.7170.5-66.3-105.9000107.8R141 P146 D149 R150 E153F2-R141 WeakPolarHBondContact CA-O 3.3Å; F2-R141 HydrophobicContact CD1-CB 3.88Å; F2-R141 HydrophobicContact CD1-CG 4.23Å; F2-R141 HydrophobicContact CE1-CB 4.07Å; F2-R141 VanDerWaalsContact CE1-CD 3.41Å; F2-R141 HydrophobicContact CE1-CG 4.36Å; F2-R141 HydrophobicContact CG-CB 4.48Å; F2-P146 HydrophobicContact CB-CB 3.75Å; F2-D149 HydrophobicContact CD1-CB 4.02Å; F2-D149 HydrophobicContact CE1-CB 4.15Å; F2-R150 HydrophobicContact CB-CB 4.46Å; F2-R150 HydrophobicContact CD1-CB 4.13Å; F2-R150 HydrophobicContact CD2-CB 3.63Å; F2-R150 HydrophobicContact CD2-CG 3.83Å; F2-R150 HydrophobicContact CE1-CB 4.28Å; F2-R150 HydrophobicContact CE2-CB 3.81Å; F2-R150 HydrophobicContact CE2-CG 3.79Å; F2-R150 HydrophobicContact CG-CB 3.83Å; F2-R150 HydrophobicContact CZ-CB 4.15Å; F2-R150 HydrophobicContact CZ-CG 4.44Å; F2-E153 HydrophobicContact CE1-CG 4.28Å; F2-E153 HydrophobicContact CZ-CB 4.02Å; F2-E153 HydrophobicContact CZ-CG 4.21Å; F2-E153 VanDerWaalsContact CZ-OE2 3.31Å; F2-E153 WeakPolarHBondContact CZ-OE2 3.35Å
3C98.5Very high98.1Very high11 Ų1140.9 Ų40.97%0.07422%0.218CC..EExtended strand (participates in β ladder)trans-140.9162.1-17658.90000112C9 R141 V142 C143 P146C3-C9 WeakPolarHBondContact CB-SG 3.28Å; C3-R141 PolarHBondContact N-O 3.01Å; C3-V142 CarbonylContact O-C 3.51Å; C3-V142 VanDerWaalsContact O-CA 3.3Å; C3-V142 WeakPolarHBondContact O-CA 3.39Å; C3-C143 PolarHBondContact O-N 2.71Å; C3-P146 VanDerWaalsContact C-CG 3.44Å
4Q98.5Very high98Very high89 Ų8943.4 Ų43.442%0.41622%0.223SC..  trans-89.6156172.4-72.7-178-38.300110.5A6 K7 C143 A144 P146Q4-A6 PolarHBondContact O-N 3.33Å; Q4-K7 HydrophobicContact CB-CB 4.2Å; Q4-K7 HydrophobicContact CB-CG 3.58Å; Q4-K7 PolarHBondContact O-N 3.07Å; Q4-C143 WeakPolarHBondContact CA-O 3.22Å; Q4-A144 PolarHBondContact NE2-O 2.88Å; Q4-P146 HydrophobicContact CG-CG 3.65Å
5L98Very high97.9Very high57 Ų5743.2 Ų43.230%0.29822%0.224SC..THydrogen-bonded Turntrans-50.5127.5174.7179.164.2000111.3K7 M105 C106 V142L5-K7 PolarHBondContact O-N 3.39Å; L5-M105 VanDerWaalsContact CD1-C 3.43Å; L5-C106 VanDerWaalsContact CD1-N 3.32Å; L5-V142 HydrophobicContact CB-CG1 4.5Å
6A97.3Very high97.7Very high48 Ų4848.3 Ų48.340%0.39725%0.252SS..THydrogen-bonded Turntrans53.624175.100000115Q4 Y104 M105Q4-A6 PolarHBondContact O-N 3.33Å; A6-Y104 PolarHBondContact N-O 2.92Å; A6-M105 HydrophobicContact CB-CE 3.69Å; A6-M105 HydrophobicContact CB-SD 3.91Å
7K97.9Very high97.5Very high119 Ų11948.4 Ų48.452%0.51726%0.258SS..  trans-93.3151.8171.8-64.6-53.7-173.8179.60111.1Q4 L5 C9 N103Q4-K7 HydrophobicContact CB-CB 4.2Å; Q4-K7 HydrophobicContact CB-CG 3.58Å; Q4-K7 PolarHBondContact O-N 3.07Å; L5-K7 PolarHBondContact O-N 3.39Å; K7-C9 PolarHBondContact O-N 3.21Å; K7-C9 PolarHBondContact O-SG 3.37Å; K7-C9 VanDerWaalsContact O-SG 3.33Å; K7-N103 PolarHBondContact O-ND2 2.69Å
8T98.2Very high97.4Very high70 Ų7051.5 Ų51.543%0.42928%0.279SS..  trans-55.5126.5174.1-52.60000110.9E66 H101 N103T8-E66 VanDerWaalsContact CB-OE1 3.31Å; T8-E66 WeakPolarHBondContact CB-OE1 3.42Å; T8-E66 WeakPolarHBondContact CG2-OE1 3.27Å; T8-E66 VanDerWaalsContact OG1-CD 3.22Å; T8-E66 PolarHBondContact OG1-OE1 3.13Å; T8-E66 PolarHBondContact OG1-OE2 3.06Å; T8-H101 HydrophobicContact CG2-CB 4.02Å; T8-N103 PolarHBondContact N-ND2 3.42Å
9C98.4Very high97.4Very high4 Ų449.5 Ų49.53%0.02727%0.269CS..EExtended strand (participates in β ladder)trans-121.292.5175.4-60.40000108.1M1 C3 K7 V11 Y102 Y104M1-C9 HydrophobicContact CE-CB 4.16Å; M1-C9 HydrophobicContact SD-CB 3.85Å; C3-C9 WeakPolarHBondContact CB-SG 3.28Å; K7-C9 PolarHBondContact O-N 3.21Å; K7-C9 PolarHBondContact O-SG 3.37Å; K7-C9 VanDerWaalsContact O-SG 3.33Å; C9-V11 PolarHBondContact O-N 3.44Å; C9-Y102 VanDerWaalsContact CB-O 3.3Å; C9-Y102 WeakPolarHBondContact CB-O 3.31Å; C9-Y102 PolarHBondContact N-O 2.81Å; C9-Y102 PolarHBondContact O-N 2.98Å; C9-Y104 HydrophobicContact CB-CD2 4.49Å; C9-Y104 HydrophobicContact CB-CE2 4.21Å
10P98Very high97.3Very high27 Ų2750 Ų5018%0.17528%0.275CS..EExtended strand (participates in β ladder)trans-69.5127.9178.928.6-32.3000110.3T99 Y195P10-T99 HydrophobicContact CB-CG2 3.76Å; P10-Y195 HydrophobicContact CB-CD1 4.17Å; P10-Y195 HydrophobicContact CB-CE1 4.47Å; P10-Y195 HydrophobicContact CG-CD1 4.28Å
11V98.4Very high97.3Very high0 Ų053.9 Ų53.90%030%0.302CS..EExtended strand (participates in β ladder)trans-123.1121.6174.5176.20000108M1 C9 T99 I100 Y102 F138 L198M1-V11 HydrophobicContact CE-CG2 3.71Å; C9-V11 PolarHBondContact O-N 3.44Å; V11-T99 WeakPolarHBondContact O-CA 3.45Å; V11-I100 PolarHBondContact N-O 3.34Å; V11-I100 PolarHBondContact O-N 3.21Å; V11-Y102 HydrophobicContact CB-CD2 3.92Å; V11-Y102 HydrophobicContact CB-CE2 3.85Å; V11-Y102 HydrophobicContact CG1-CE2 4.35Å; V11-Y102 HydrophobicContact CG2-CD2 3.61Å; V11-Y102 HydrophobicContact CG2-CE2 3.97Å; V11-F138 HydrophobicContact CG1-CE1 4.32Å; V11-F138 HydrophobicContact CG2-CE1 4.27Å; V11-F138 HydrophobicContact CG2-CZ 3.86Å; V11-L198 HydrophobicContact CG1-CD1 3.49Å; V11-L198 VanDerWaalsContact CG1-CD1 3.49Å; V11-L198 HydrophobicContact CG1-CG 4.05Å
12Q97.8Very high97.3Very high23 Ų2355.2 Ų55.211%0.10732%0.321CS..EExtended strand (participates in β ladder)trans-89.7136.9-179.4-65.9175.5-26.700110.7T98 Y195 F196 T197 L198Q12-T98 CarbonylContact C-O 3.51Å; Q12-T98 WeakPolarHBondContact CA-O 3.48Å; Q12-Y195 HydrophobicContact CG-CD1 4.21Å; Q12-Y195 HydrophobicContact CG-CG 4.48Å; Q12-F196 PolarHBondContact N-O 2.93Å; Q12-T197 PolarHBondContact OE1-OG1 3.45Å; Q12-L198 WeakPolarHBondContact O-CB 3.21Å; Q12-L198 PolarHBondContact O-N 3.03Å
13L97.9Very high97.3Very high16 Ų1653.1 Ų53.18%0.08431%0.312CS..EExtended strand (participates in β ladder)trans-106.2113.8174.9-54.6177.2000108.5V25 Y88 C97 T98 I100 I123 L198L13-V25 HydrophobicContact CD1-CB 4.34Å; L13-V25 HydrophobicContact CD1-CG1 4.03Å; L13-V25 HydrophobicContact CD1-CG2 3.58Å; L13-V25 HydrophobicContact CD2-CG1 4.14Å; L13-Y88 HydrophobicContact CD1-CD2 4.34Å; L13-C97 WeakPolarHBondContact O-CB 3.39Å; L13-T98 PolarHBondContact N-O 3.24Å; L13-T98 PolarHBondContact O-N 3.09Å; L13-I100 HydrophobicContact CD1-CD1 3.7Å; L13-I100 HydrophobicContact CD1-CG1 4.09Å; L13-I100 HydrophobicContact CG-CD1 4.47Å; L13-I123 HydrophobicContact CD2-CG2 4.26Å; L13-L198 HydrophobicContact CD2-CD1 4.41Å
14W97.6Very high97.3Very high76 Ų7655.2 Ų55.229%0.28832%0.319SS..EExtended strand (participates in β ladder)trans-108.1132.5174.6-62.770.8000108.7D96 C97 T197 L198 Q199W14-D96 HydrophobicContact CE3-CB 4.38Å; W14-D96 HydrophobicContact CH2-CB 3.8Å; W14-D96 HydrophobicContact CZ3-CB 3.53Å; W14-C97 HydrophobicContact CD2-CB 3.75Å; W14-C97 HydrophobicContact CE3-CB 4.29Å; W14-C97 HydrophobicContact CG-CB 4.03Å; W14-C97 HydrophobicContact CH2-CB 4.5Å; W14-C97 HydrophobicContact CZ2-CB 3.98Å; W14-T197 VanDerWaalsContact CD1-CG2 3.5Å; W14-T197 HydrophobicContact CD2-CG2 4.38Å; W14-T197 HydrophobicContact CG-CG2 4.15Å; W14-T197 VanDerWaalsContact NE1-CG2 3.32Å; W14-L198 VanDerWaalsContact CB-O 3.32Å; W14-L198 WeakPolarHBondContact CB-O 3.45Å; W14-L198 PolarHBondContact N-O 2.83Å; W14-L198 VanDerWaalsContact N-O 3.15Å; W14-Q199 HydrophobicContact CB-CG 4.3Å
15V95.7Very high97.3Very high40 Ų4051 Ų5124%0.24230%0.299CS..EExtended strand (participates in β ladder)trans-131.8137.2176.1-62.30000109.1S17 Y88 L125V15-S17 VanDerWaalsContact C-N 3.29Å; V15-S17 WeakPolarHBondContact CG2-O 3.4Å; V15-Y88 HydrophobicContact CG1-CE2 4.37Å; V15-Y88 VanDerWaalsContact CG2-OH 3.27Å; V15-Y88 WeakPolarHBondContact CG2-OH 3.48Å; V15-L125 HydrophobicContact CG1-CD2 4.38Å
16D95.5Very high97.3Very high124 Ų12450.1 Ų50.166%0.66329%0.292SS*.SBendtrans-73.4-26.4176.3-64.6-34.2000111.9
17S94.7Very high97.4Very high51 Ų5147.8 Ų47.836%0.35727%0.273SS..SBendtrans-141.2144.6177.759.30000110.4V15 P19V15-S17 VanDerWaalsContact C-N 3.29Å; V15-S17 WeakPolarHBondContact CG2-O 3.4Å; S17-P19 WeakPolarHBondContact O-CD 3.36Å
18T95.6Very high97.4Very high104 Ų10444 Ų4464%0.63826%0.258SS*.PPolyproline II helixtrans-64.5122.8-178.8-51.10000110.1P90T18-P90 HydrophobicContact CG2-CG 4.35Å
19P96.5Very high97.5Very high13 Ų1341.1 Ų41.18%0.08424%0.241CC..PPolyproline II helixtrans-70.1162.7-18030.6-37000111.6S17 T23 Y88 L125 L133S17-P19 WeakPolarHBondContact O-CD 3.36Å; P19-T23 HydrophobicContact CB-CG2 3.92Å; P19-T23 HydrophobicContact CG-CG2 3.98Å; P19-Y88 VanDerWaalsContact CD-CE1 3.45Å; P19-Y88 HydrophobicContact CG-CD1 3.44Å; P19-Y88 VanDerWaalsContact CG-CD1 3.44Å; P19-Y88 HydrophobicContact CG-CD2 4.38Å; P19-Y88 HydrophobicContact CG-CE1 3.33Å; P19-Y88 HydrophobicContact CG-CE2 4.29Å; P19-Y88 HydrophobicContact CG-CG 3.98Å; P19-L125 HydrophobicContact CB-CD2 4.32Å; P19-L125 HydrophobicContact CG-CD2 4.48Å; P19-L133 HydrophobicContact CB-CD1 4.46Å
20P96.2Very high97.5Very high60 Ų6042.2 Ų42.239%0.3925%0.246SC..PPolyproline II helixtrans-57.6153.7-179.3-24.934.7000113.8G22 T23P20-G22 PolarHBondContact O-N 3.19Å; P20-T23 WeakPolarHBondContact O-CB 3.44Å; P20-T23 PolarHBondContact O-N 2.96Å; P20-T23 PolarHBondContact O-OG1 2.83Å
21P96.6Very high97.5Very high131 Ų13141 Ų4185%0.85124%0.238SC*.THydrogen-bonded Turntrans-55.7138.4172.1-25.134.8000112
22G97.2Very high97.5Very high48 Ų4846 Ų4650%0.49526%0.259SS..THydrogen-bonded Turntrans86.62.2-177.700000114.6P20P20-G22 PolarHBondContact O-N 3.19Å
23T98.4Very high97.5Very high4 Ų448.5 Ų48.53%0.02527%0.271CS..  trans-56.7143.8168.6-72.30000111.6P19 P20 Y88 L125 E126 L133P19-T23 HydrophobicContact CB-CG2 3.92Å; P19-T23 HydrophobicContact CG-CG2 3.98Å; P20-T23 WeakPolarHBondContact O-CB 3.44Å; P20-T23 PolarHBondContact O-N 2.96Å; P20-T23 PolarHBondContact O-OG1 2.83Å; T23-Y88 HydrophobicContact CG2-CG 4.23Å; T23-Y88 WeakPolarHBondContact O-CB 3.43Å; T23-Y88 PolarHBondContact O-N 3.21Å; T23-L125 HydrophobicContact CG2-CD1 3.38Å; T23-L125 HydrophobicContact CG2-CD2 4.26Å; T23-L125 HydrophobicContact CG2-CG 3.61Å; T23-E126 CarbonylContact C-O 3.48Å; T23-E126 WeakPolarHBondContact CA-O 3.41Å; T23-E126 WeakPolarHBondContact CG2-O 3.29Å; T23-L133 HydrophobicContact CG2-CD1 4.01Å; T23-L133 WeakPolarHBondContact OG1-CD1 3.37Å
24R98.5Very high97.5Very high56 Ų5652.6 Ų52.621%0.21130%0.301CS..EExtended strand (participates in β ladder)trans-126.2153.9-177.1-57.5-178.865.6170.9-0.9110.1E72 V85 V86 E126R24-E72 IonicContact CZ-OE1 2.79Å; R24-E72 IonicContact CZ-OE2 3.77Å; R24-E72 IonicContact NH1-OE1 3.5Å; R24-E72 IonicContact NH1-OE2 3.81Å; R24-E72 PolarHBondContact NH1-OE2 3.42Å; R24-E72 IonicContact NH2-OE1 2.7Å; R24-E72 PolarHBondContact NH2-OE1 2.9Å; R24-E72 IonicContact NH2-OE2 3.43Å; R24-E72 PolarHBondContact NH2-OE2 2.97Å; R24-V85 HydrophobicContact CB-CG1 3.71Å; R24-V85 HydrophobicContact CG-CG1 4.42Å; R24-V85 VanDerWaalsContact NH2-CG1 3.26Å; R24-V86 CarbonylContact C-O 3.55Å; R24-V86 WeakPolarHBondContact CA-O 3.41Å; R24-E126 PolarHBondContact N-O 2.92Å; R24-E126 PolarHBondContact O-N 3.35Å
25V98.7Very high97.5Very high1 Ų155.1 Ų55.11%0.00632%0.316CS..EExtended strand (participates in β ladder)trans-118.2119.4175.7-172.10000108L13 V85 V86 Y88 I100 I123 T124 L125L13-V25 HydrophobicContact CD1-CB 4.34Å; L13-V25 HydrophobicContact CD1-CG1 4.03Å; L13-V25 HydrophobicContact CD1-CG2 3.58Å; L13-V25 HydrophobicContact CD2-CG1 4.14Å; V25-V85 VanDerWaalsContact O-CA 3.3Å; V25-V85 WeakPolarHBondContact O-CA 3.46Å; V25-V86 HydrophobicContact CB-CG2 4.24Å; V25-V86 PolarHBondContact N-O 3.46Å; V25-V86 PolarHBondContact O-N 3.23Å; V25-Y88 HydrophobicContact CG2-CD2 4.19Å; V25-I100 HydrophobicContact CB-CD1 3.76Å; V25-I100 HydrophobicContact CG1-CD1 3.6Å; V25-I100 HydrophobicContact CG2-CD1 4.16Å; V25-I123 HydrophobicContact CG1-CG2 3.73Å; V25-T124 WeakPolarHBondContact CA-O 3.43Å; V25-L125 HydrophobicContact CG2-CD1 3.84Å
26R98.7Very high97.5Very high37 Ų3755.3 Ų55.314%0.1431%0.314CS..EExtended strand (participates in β ladder)trans-109.1137.9179.2175.3-173.3-48.9-81.7-6.4110.4S83 V84 V85 I123 T124 E126R26-S83 PolarHBondContact NH1-OG 3.1Å; R26-V84 CarbonylContact C-O 3.52Å; R26-V84 WeakPolarHBondContact CA-O 3.45Å; R26-V85 HydrophobicContact CB-CG1 4.43Å; R26-V85 HydrophobicContact CB-CG2 3.89Å; R26-V85 HydrophobicContact CG-CG2 3.87Å; R26-V85 VanDerWaalsContact CZ-CG2 3.46Å; R26-I123 CarbonylContact O-C 3.56Å; R26-I123 VanDerWaalsContact O-CA 3.27Å; R26-I123 WeakPolarHBondContact O-CA 3.49Å; R26-T124 WeakPolarHBondContact CB-OG1 3.43Å; R26-T124 PolarHBondContact N-O 2.82Å; R26-T124 PolarHBondContact O-N 2.91Å; R26-E126 VanDerWaalsContact CD-OE1 3.3Å; R26-E126 WeakPolarHBondContact CD-OE1 3.24Å; R26-E126 IonicContact CZ-OE1 3.21Å; R26-E126 IonicContact CZ-OE2 3.93Å; R26-E126 VanDerWaalsContact NE-CD 3.32Å; R26-E126 IonicContact NE-OE1 3.6Å; R26-E126 PolarHBondContact NE-OE1 3.33Å; R26-E126 IonicContact NE-OE2 3.71Å; R26-E126 PolarHBondContact NE-OE2 3.3Å; R26-E126 IonicContact NH2-OE1 3.6Å; R26-E126 IonicContact NH2-OE2 3.89Å; R26-E126 PolarHBondContact NH2-OE2 3.01Å
27A98.8Very high97.5Very high0 Ų054.6 Ų54.60%031%0.308CS..EExtended strand (participates in β ladder)trans-113.5132.5166.300000110.8I63 S83 V84 Y102 T121 I122 I123A27-I63 HydrophobicContact CB-CD1 4.32Å; A27-I63 HydrophobicContact CB-CG2 4.26Å; A27-S83 VanDerWaalsContact O-CA 3.32Å; A27-S83 WeakPolarHBondContact O-CA 3.43Å; A27-S83 WeakPolarHBondContact O-CB 3.25Å; A27-V84 HydrophobicContact CB-CG1 3.9Å; A27-V84 PolarHBondContact N-O 3.27Å; A27-V84 PolarHBondContact O-N 2.79Å; A27-Y102 HydrophobicContact CB-CD1 4.27Å; A27-Y102 HydrophobicContact CB-CE1 3.48Å; A27-Y102 VanDerWaalsContact CB-CE1 3.48Å; A27-T121 HydrophobicContact CB-CG2 4.31Å; A27-I122 WeakPolarHBondContact CA-O 3.13Å; A27-I123 HydrophobicContact CB-CD1 3.51Å
28M98.8Very high97.6Very high40 Ų4058.1 Ų58.120%0.19733%0.328CS..EExtended strand (participates in β ladder)trans-136.9137.7177.3-175.5-177.6-65.900110.5R81 T121 I122M28-R81 HydrophobicContact CE-CB 4.18Å; M28-R81 HydrophobicContact SD-CB 3.98Å; M28-R81 HydrophobicContact SD-CG 4.44Å; M28-T121 WeakPolarHBondContact O-CA 3.3Å; M28-I122 PolarHBondContact N-O 3.22Å; M28-I122 PolarHBondContact O-N 3.48Å
29A98.8Very high97.7Very high9 Ų956.9 Ų56.97%0.07432%0.315CS..EExtended strand (participates in β ladder)trans-95.9136.3174.300000111.6V41 L62 I63 I119 L120A29-V41 HydrophobicContact CB-CB 3.83Å; A29-V41 HydrophobicContact CB-CG1 3.72Å; A29-V41 HydrophobicContact CB-CG2 4.18Å; A29-L62 HydrophobicContact CB-CD2 4.12Å; A29-I63 HydrophobicContact CB-CD1 3.94Å; A29-I63 HydrophobicContact CB-CG1 4.36Å; A29-I119 HydrophobicContact CB-CD1 4.45Å; A29-L120 WeakPolarHBondContact CA-O 3.27Å
30I98.7Very high97.8Very high26 Ų2657 Ų5713%0.13332%0.315CS..EExtended strand (participates in β ladder)trans-131.3153.916964.6162.1000110.4I119 L120 I122I30-I119 CarbonylContact O-C 3.58Å; I30-I119 WeakPolarHBondContact O-CA 3.37Å; I30-I119 WeakPolarHBondContact O-CB 3.35Å; I30-L120 HydrophobicContact CD1-CD1 4.4Å; I30-L120 HydrophobicContact CG1-CB 3.99Å; I30-L120 PolarHBondContact N-O 3.06Å; I30-L120 PolarHBondContact O-N 3.49Å; I30-I122 HydrophobicContact CD1-CD1 3.63Å; I30-I122 HydrophobicContact CD1-CG1 4.44Å; I30-I122 HydrophobicContact CG1-CD1 3.91Å; I30-I122 HydrophobicContact CG1-CG1 4.35Å; I30-I122 HydrophobicContact CG2-CD1 4.27Å
31Y98.7Very high98Very high3 Ų354.4 Ų54.41%0.01230%0.298CS..EExtended strand (participates in β ladder)trans-70.8138169.4-68.3-68.2000110.7H36 E39 V41 G113 M114 R117 I119Y31-H36 HydrophobicContact CD2-CB 3.98Å; Y31-H36 VanDerWaalsContact CD2-O 3.3Å; Y31-H36 WeakPolarHBondContact CD2-O 3.44Å; Y31-H36 HydrophobicContact CG-CB 3.82Å; Y31-E39 HydrophobicContact CD2-CB 3.97Å; Y31-E39 HydrophobicContact CD2-CG 4.5Å; Y31-E39 HydrophobicContact CE2-CB 3.91Å; Y31-E39 HydrophobicContact CE2-CG 3.93Å; Y31-V41 HydrophobicContact CD1-CG2 4.28Å; Y31-V41 HydrophobicContact CD2-CG2 3.8Å; Y31-V41 HydrophobicContact CE1-CG2 4.24Å; Y31-V41 HydrophobicContact CE2-CG2 3.79Å; Y31-V41 HydrophobicContact CG-CG2 4.06Å; Y31-G113 PolarHBondContact OH-O 3.22Å; Y31-M114 HydrophobicContact CE1-CB 4.38Å; Y31-M114 HydrophobicContact CE1-CG 4.25Å; Y31-M114 WeakPolarHBondContact OH-CA 3.21Å; Y31-R117 HydrophobicContact CD1-CB 3.68Å; Y31-R117 HydrophobicContact CE1-CB 3.78Å; Y31-R117 PolarHBondContact OH-NH2 3.13Å; Y31-I119 HydrophobicContact CD1-CG2 3.65Å; Y31-I119 HydrophobicContact CE1-CG2 3.87Å
32K98.4Very high98Very high103 Ų10353.7 Ų53.745%0.44828%0.279SS..SBendtrans-72.8-36.6-178.4179.6-179.8175.5-176.90112.6P118 L120 E139K32-P118 HydrophobicContact CB-CB 4.16Å; K32-P118 HydrophobicContact CB-CG 4.13Å; K32-P118 HydrophobicContact CD-CB 4.29Å; K32-P118 HydrophobicContact CD-CG 4.45Å; K32-P118 PolarHBondContact N-O 3.05Å; K32-L120 HydrophobicContact CB-CD2 4.34Å; K32-L120 HydrophobicContact CB-CG 4.03Å; K32-L120 HydrophobicContact CD-CD2 4.23Å; K32-L120 HydrophobicContact CG-CD1 4.48Å; K32-L120 HydrophobicContact CG-CD2 4.19Å; K32-L120 HydrophobicContact CG-CG 4.23Å; K32-E139 HydrophobicContact CD-CG 4.45Å; K32-E139 WeakPolarHBondContact CD-OE1 3.29Å; K32-E139 VanDerWaalsContact NZ-CD 3.31Å; K32-E139 IonicContact NZ-OE1 3.65Å; K32-E139 PolarHBondContact NZ-OE1 3.2Å; K32-E139 IonicContact NZ-OE2 2.9Å; K32-E139 PolarHBondContact NZ-OE2 3.43Å
33Q97.7Very high98.1Very high77 Ų7751.5 Ų51.536%0.3626%0.255SS..SBendtrans-76.7132.5-178-69.4174.1-35.800110.5Q35 H36 M37 P118Q33-Q35 VanDerWaalsContact C-N 3.26Å; Q33-Q35 HydrophobicContact CB-CG 4.27Å; Q33-Q35 PolarHBondContact O-N 2.59Å; Q33-H36 PolarHBondContact O-N 3.3Å; Q33-H36 PolarHBondContact OE1-CD2 3.45Å; Q33-M37 PolarHBondContact O-N 2.79Å; Q33-M37 VanDerWaalsContact O-N 3.13Å; Q33-P118 HydrophobicContact CG-CG 4.09Å
34S97.2Very high98.1Very high102 Ų10251.5 Ų51.571%0.71326%0.256SS*.G310 helixtrans-54.2-40.5-176.452.50000113.1H36 M37S34-H36 PolarHBondContact O-N 2.9Å; S34-H36 VanDerWaalsContact O-N 3.09Å; S34-M37 WeakPolarHBondContact O-CB 3.44Å; S34-M37 PolarHBondContact O-N 2.84Å
35Q97.5Very high98.1Very high129 Ų12951.7 Ų51.760%0.60326%0.264SS*.G310 helixtrans-62.2-16.4178.372.5-134.241.200114.8Q33Q33-Q35 VanDerWaalsContact C-N 3.26Å; Q33-Q35 HydrophobicContact CB-CG 4.27Å; Q33-Q35 PolarHBondContact O-N 2.59Å
36H96.9Very high98Very high44 Ų4458.3 Ų58.320%0.20430%0.295CS..G310 helixtrans-117.8-3.9-179.1-59.9-49.6000112.4Y31 Q33 S34 T38 E39 R117Y31-H36 HydrophobicContact CD2-CB 3.98Å; Y31-H36 VanDerWaalsContact CD2-O 3.3Å; Y31-H36 WeakPolarHBondContact CD2-O 3.44Å; Y31-H36 HydrophobicContact CG-CB 3.82Å; Q33-H36 PolarHBondContact O-N 3.3Å; Q33-H36 PolarHBondContact OE1-CD2 3.45Å; S34-H36 PolarHBondContact O-N 2.9Å; S34-H36 VanDerWaalsContact O-N 3.09Å; H36-T38 PolarHBondContact O-N 2.68Å; H36-T38 VanDerWaalsContact O-N 3.15Å; H36-E39 WeakPolarHBondContact O-CB 3.47Å; H36-E39 PolarHBondContact O-N 2.86Å; H36-R117 WeakPolarHBondContact CD2-CD 3.3Å; H36-R117 WeakPolarHBondContact NE2-CD 3.44Å
37M95.2Very high98Very high108 Ų10857.7 Ų57.753%0.53229%0.293SS..THydrogen-bonded Turntrans-55-36.1-173.8170.1-179.3-177.800113.4Q33 S34 E39 R81Q33-M37 PolarHBondContact O-N 2.79Å; Q33-M37 VanDerWaalsContact O-N 3.13Å; S34-M37 WeakPolarHBondContact O-CB 3.44Å; S34-M37 PolarHBondContact O-N 2.84Å; M37-E39 VanDerWaalsContact C-N 3.31Å; M37-R81 PolarHBondContact O-NH2 2.88Å
38T96.6Very high97.8Very high125 Ų12560.6 Ų60.677%0.76731%0.307SS*.THydrogen-bonded Turntrans-78-16.3-178.854.90000113.1H36H36-T38 PolarHBondContact O-N 2.68Å; H36-T38 VanDerWaalsContact O-N 3.15Å
39E98.3Very high97.7Very high78 Ų7869 Ų6936%0.36434%0.336SS..SBendtrans-74.5141.7177.1-168.8-178.1135.200110.9Y31 H36 M37 R81 R117Y31-E39 HydrophobicContact CD2-CB 3.97Å; Y31-E39 HydrophobicContact CD2-CG 4.5Å; Y31-E39 HydrophobicContact CE2-CB 3.91Å; Y31-E39 HydrophobicContact CE2-CG 3.93Å; H36-E39 WeakPolarHBondContact O-CB 3.47Å; H36-E39 PolarHBondContact O-N 2.86Å; M37-E39 VanDerWaalsContact C-N 3.31Å; E39-R81 PolarHBondContact O-NH1 3.17Å; E39-R117 IonicContact OE1-CZ 3.15Å; E39-R117 VanDerWaalsContact OE1-CZ 3.32Å; E39-R117 IonicContact OE1-NH1 2.71Å; E39-R117 PolarHBondContact OE1-NH1 3.27Å; E39-R117 IonicContact OE1-NH2 2.97Å; E39-R117 PolarHBondContact OE1-NH2 2.96Å; E39-R117 IonicContact OE2-CZ 3.36Å; E39-R117 IonicContact OE2-NH1 3.33Å; E39-R117 PolarHBondContact OE2-NH1 3.21Å; E39-R117 IonicContact OE2-NH2 2.68Å
40V98.5Very high97.4Very high15 Ų1571.3 Ų71.39%0.09135%0.351CS..PPolyproline II helixtrans-76.6123.3175.4175.20000109.7R42 F80 R81V40-R42 PolarHBondContact O-N 2.87Å; V40-F80 VanDerWaalsContact CG1-O 3.29Å; V40-F80 WeakPolarHBondContact CG1-O 3.36Å; V40-F80 HydrophobicContact CG2-CB 4.11Å; V40-F80 WeakPolarHBondContact CG2-O 3.38Å; V40-R81 HydrophobicContact CG2-CG 4.35Å
41V98.7Very high96.7Very high6 Ų676.2 Ų76.24%0.03639%0.388CS..PPolyproline II helixtrans-72.1119.3171-177.70000109.2A29 Y31 L62 M114 I119A29-V41 HydrophobicContact CB-CB 3.83Å; A29-V41 HydrophobicContact CB-CG1 3.72Å; A29-V41 HydrophobicContact CB-CG2 4.18Å; Y31-V41 HydrophobicContact CD1-CG2 4.28Å; Y31-V41 HydrophobicContact CD2-CG2 3.8Å; Y31-V41 HydrophobicContact CE1-CG2 4.24Å; Y31-V41 HydrophobicContact CE2-CG2 3.79Å; Y31-V41 HydrophobicContact CG-CG2 4.06Å; V41-L62 HydrophobicContact CG1-CB 4.39Å; V41-L62 HydrophobicContact CG1-CD2 3.39Å; V41-L62 HydrophobicContact CG1-CG 4.49Å; V41-M114 HydrophobicContact CG1-CG 4.38Å; V41-I119 HydrophobicContact CG1-CG2 4.24Å; V41-I119 HydrophobicContact CG2-CG2 4.09Å
42R98.3Very high96.2Very high117 Ų11778.5 Ų78.544%0.44240%0.4SS..  trans-139.3162179.861.3-17668.5-179.6-3.2110.8V40V40-R42 PolarHBondContact O-N 2.87Å
43R98.4Very high95.5Very high2 Ų277 Ų771%0.00840%0.402CS..  trans-61.3153.4171.2-67.8-177.470.4-164.316110.4H47 D52 P59 Q60 H61 M105 C106R43-H47 HydrophobicContact CB-CB 4.38Å; R43-H47 PolarHBondContact NH1-O 2.85Å; R43-H47 PolarHBondContact NH2-O 3.39Å; R43-D52 IonicContact CZ-OD1 3.06Å; R43-D52 IonicContact CZ-OD2 3.91Å; R43-D52 IonicContact NH1-OD1 3.81Å; R43-D52 PolarHBondContact NH1-OD1 3.5Å; R43-D52 IonicContact NH1-OD2 2.73Å; R43-D52 IonicContact NH2-OD1 3.67Å; R43-D52 PolarHBondContact NH2-OD1 3.04Å; R43-D52 IonicContact NH2-OD2 3.32Å; R43-D52 PolarHBondContact NH2-OD2 3.04Å; R43-P59 VanDerWaalsContact CD-O 3.26Å; R43-P59 WeakPolarHBondContact CD-O 3.32Å; R43-P59 PolarHBondContact NH1-O 2.74Å; R43-Q60 PolarHBondContact N-O 3.04Å; R43-H61 WeakPolarHBondContact CD-O 3.26Å; R43-H61 WeakPolarHBondContact CG-O 3.37Å; R43-M105 HydrophobicContact CG-CB 4.34Å; R43-M105 PolarHBondContact NE-O 2.73Å; R43-M105 PolarHBondContact NH2-O 2.87Å; R43-C106 HydrophobicContact CG-CB 4.47Å
44C98.4Very high95Very high4 Ų477 Ų773%0.02741%0.405CS..  trans-72.7159.6175.370.80000111H46 H47 E48 C106 C110 M111C44-H46 PolarHBondContact O-N 2.67Å; C44-H47 PolarHBondContact O-N 2.78Å; C44-H47 PolarHBondContact SG-ND1 2.79Å; C44-H47 VanDerWaalsContact SG-ND1 3.39Å; C44-E48 WeakPolarHBondContact O-CB 3.2Å; C44-E48 PolarHBondContact O-N 3.17Å; C44-C106 PolarHBondContact N-SG 3.04Å; C44-C106 VanDerWaalsContact SG-SG 3.62Å; C44-C110 HydrophobicContact CB-CB 3.86Å; C44-M111 VanDerWaalsContact CB-O 3.27Å; C44-M111 WeakPolarHBondContact CB-O 3.13Å
45P97.9Very high94.6Very high59 Ų5975.3 Ų75.338%0.38340%0.404SS..Hα-helixtrans-55.3-31.1-178.6-28.835.4000114.6R49P45-R49 WeakPolarHBondContact O-CB 3.42Å; P45-R49 WeakPolarHBondContact O-CD 3.46Å; P45-R49 VanDerWaalsContact O-CG 3.24Å; P45-R49 WeakPolarHBondContact O-CG 3.44Å; P45-R49 PolarHBondContact O-N 3.03Å
46H97.7Very high94.4Very high141 Ų14173.6 Ų73.665%0.65340%0.399SS*.Hα-helixtrans-67.3-48.3176.6175.567.6000112C44 R49 C50C44-H46 PolarHBondContact O-N 2.67Å; H46-R49 PolarHBondContact O-N 2.78Å; H46-C50 PolarHBondContact O-N 3.25Å
47H97.5Very high94.4Very high23 Ų2371.7 Ų71.711%0.10639%0.39CS..Hα-helixtrans-75.6-33.4-178-83128.7000112.4R43 C44 R49 C50 C106 C110R43-H47 HydrophobicContact CB-CB 4.38Å; R43-H47 PolarHBondContact NH1-O 2.85Å; R43-H47 PolarHBondContact NH2-O 3.39Å; C44-H47 PolarHBondContact O-N 2.78Å; C44-H47 PolarHBondContact SG-ND1 2.79Å; C44-H47 VanDerWaalsContact SG-ND1 3.39Å; H47-R49 VanDerWaalsContact C-N 3.25Å; H47-R49 PolarHBondContact O-N 2.97Å; H47-C50 WeakPolarHBondContact O-CB 3.42Å; H47-C50 PolarHBondContact O-N 2.82Å; H47-C106 PolarHBondContact ND1-SG 2.76Å; H47-C110 PolarHBondContact CE1-SG 3.18Å; H47-C110 PolarHBondContact ND1-SG 2.78Å; H47-C110 VanDerWaalsContact ND1-SG 3.45Å
48E96.4Very high94.4Very high62 Ų6268.1 Ų68.129%0.2938%0.375SS..Hα-helixtrans-60.5-35.6172.6-177.5-176.1169.800112.2C44 P59 Q60C44-E48 WeakPolarHBondContact O-CB 3.2Å; C44-E48 PolarHBondContact O-N 3.17Å; E48-P59 WeakPolarHBondContact CA-O 3.47Å; E48-P59 HydrophobicContact CG-CB 4.25Å; E48-P59 VanDerWaalsContact O-CB 3.29Å; E48-P59 WeakPolarHBondContact O-CB 3.3Å; E48-Q60 HydrophobicContact CG-CG 4.04Å; E48-Q60 WeakPolarHBondContact OE1-CG 3.29Å; E48-Q60 PolarHBondContact OE1-NE2 2.91Å
49R96Very high94.4Very high215 Ų21564.7 Ų64.781%0.81136%0.355SS*.THydrogen-bonded Turntrans-87.9-6.2179.7-65.3173.3-174.4-173.90.5113.7P45 H46 H47P45-R49 WeakPolarHBondContact O-CB 3.42Å; P45-R49 WeakPolarHBondContact O-CD 3.46Å; P45-R49 VanDerWaalsContact O-CG 3.24Å; P45-R49 WeakPolarHBondContact O-CG 3.44Å; P45-R49 PolarHBondContact O-N 3.03Å; H46-R49 PolarHBondContact O-N 2.78Å; H47-R49 VanDerWaalsContact C-N 3.25Å; H47-R49 PolarHBondContact O-N 2.97Å
50C92.3Very high94.4Very high58 Ų5863.7 Ų63.739%0.39235%0.35SS..SBendtrans-74.1136.8177.7-161.30000109.3H46 H47 D52H46-C50 PolarHBondContact O-N 3.25Å; H47-C50 WeakPolarHBondContact O-CB 3.42Å; H47-C50 PolarHBondContact O-N 2.82Å; C50-D52 PolarHBondContact O-N 2.89Å
51S83.3Confident94.3Very high129 Ų12963 Ų6390%0.90235%0.347SS*.SBendtrans-79.458.4177.756.10000111.4
52D88.6Confident94.3Very high52 Ų5263 Ų6328%0.27835%0.346SS..  trans-110.622.9179.971.81.4000113.2R43 C50 R64R43-D52 IonicContact CZ-OD1 3.06Å; R43-D52 IonicContact CZ-OD2 3.91Å; R43-D52 IonicContact NH1-OD1 3.81Å; R43-D52 PolarHBondContact NH1-OD1 3.5Å; R43-D52 IonicContact NH1-OD2 2.73Å; R43-D52 IonicContact NH2-OD1 3.67Å; R43-D52 PolarHBondContact NH2-OD1 3.04Å; R43-D52 IonicContact NH2-OD2 3.32Å; R43-D52 PolarHBondContact NH2-OD2 3.04Å; C50-D52 PolarHBondContact O-N 2.89Å; D52-R64 PolarHBondContact O-NH1 3.08Å; D52-R64 PolarHBondContact O-NH2 2.7Å; D52-R64 IonicContact OD1-NH2 2.66Å; D52-R64 PolarHBondContact OD1-NH2 2.93Å; D52-R64 VanDerWaalsContact OD1-NH2 3.09Å
53S85Confident94.4Very high70 Ų7057.8 Ų57.849%0.4933%0.327SS..  trans-68.4141.8176.7-176.10000110.9G55S53-G55 VanDerWaalsContact C-N 3.27Å; S53-G55 PolarHBondContact OG-N 2.84Å
54D85.9Confident94.3Very high77 Ų7758.1 Ų58.141%0.41233%0.328SS..  trans-88.56169.250.725.7000112.2L56 A57 R64D54-L56 VanDerWaalsContact C-N 3.27Å; D54-L56 PolarHBondContact O-N 2.96Å; D54-L56 PolarHBondContact OD1-N 2.6Å; D54-A57 WeakPolarHBondContact OD1-CB 3.32Å; D54-A57 PolarHBondContact OD1-N 2.82Å; D54-R64 WeakPolarHBondContact OD2-CD 3.08Å; D54-R64 IonicContact OD2-NH1 3.09Å; D54-R64 PolarHBondContact OD2-NH1 2.84Å
55G89.9Confident94.3Very high68 Ų6858.3 Ų58.370%0.70133%0.329SS*.SBendtrans84.3-10.7-177.100000114.7S53S53-G55 VanDerWaalsContact C-N 3.27Å; S53-G55 PolarHBondContact OG-N 2.84Å
56L93.5Very high94.2Very high93 Ų9358.6 Ų58.649%0.48733%0.325SS..SBendtrans-112.7-44-179.4-62.3175.3000111.9D54 P58 V71 Y73D54-L56 VanDerWaalsContact C-N 3.27Å; D54-L56 PolarHBondContact O-N 2.96Å; D54-L56 PolarHBondContact OD1-N 2.6Å; L56-P58 WeakPolarHBondContact O-CD 3.47Å; L56-V71 HydrophobicContact CB-CG1 4.46Å; L56-V71 HydrophobicContact CD1-CG1 3.76Å; L56-Y73 HydrophobicContact CB-CD2 4.47Å; L56-Y73 HydrophobicContact CB-CE2 4.04Å; L56-Y73 WeakPolarHBondContact O-CD2 3.45Å
57A95.2Very high94Very high3 Ų356.1 Ų56.13%0.02534%0.338CS..SBendtrans-77.3124.8-17600000111.5D54 R64 Y73D54-A57 WeakPolarHBondContact OD1-CB 3.32Å; D54-A57 PolarHBondContact OD1-N 2.82Å; A57-R64 HydrophobicContact CB-CG 3.81Å; A57-Y73 VanDerWaalsContact CA-CE2 3.47Å; A57-Y73 HydrophobicContact CB-CD1 4.39Å; A57-Y73 HydrophobicContact CB-CD2 4.27Å; A57-Y73 HydrophobicContact CB-CE1 3.82Å; A57-Y73 HydrophobicContact CB-CE2 3.7Å; A57-Y73 VanDerWaalsContact CB-CZ 3.45Å
58P96.3Very high93.9Very high34 Ų3456.6 Ų56.622%0.22134%0.342CS..  trans-60.3143.4169.6-19.230.5000110.5L56 Q60 H61 Y73L56-P58 WeakPolarHBondContact O-CD 3.47Å; P58-Q60 PolarHBondContact O-N 3.07Å; P58-H61 PolarHBondContact O-N 2.88Å; P58-H61 VanDerWaalsContact O-N 3.09Å; P58-Y73 VanDerWaalsContact CD-CB 3.44Å
59P96.6Very high93.8Very high53 Ų5361.3 Ų61.334%0.34437%0.368SS..THydrogen-bonded Turntrans-63.9-15.3-171.522-31.2000114.2R43 E48R43-P59 VanDerWaalsContact CD-O 3.26Å; R43-P59 WeakPolarHBondContact CD-O 3.32Å; R43-P59 PolarHBondContact NH1-O 2.74Å; E48-P59 WeakPolarHBondContact CA-O 3.47Å; E48-P59 HydrophobicContact CG-CB 4.25Å; E48-P59 VanDerWaalsContact O-CB 3.29Å; E48-P59 WeakPolarHBondContact O-CB 3.3Å
60Q97.3Very high93.9Very high56 Ų5657.2 Ų57.226%0.26235%0.353SS..THydrogen-bonded Turntrans-84.3-18.8178.5-60.979.28.200114.2R43 E48 P58 L62R43-Q60 PolarHBondContact N-O 3.04Å; E48-Q60 HydrophobicContact CG-CG 4.04Å; E48-Q60 WeakPolarHBondContact OE1-CG 3.29Å; E48-Q60 PolarHBondContact OE1-NE2 2.91Å; P58-Q60 PolarHBondContact O-N 3.07Å; Q60-L62 PolarHBondContact O-N 3.4Å
61H98.2Very high94.2Very high2 Ų255.2 Ų55.21%0.00934%0.339CS..  trans-72.7123-171.2-81.3-119.8000111.6R43 P58 Y73 D75 H82R43-H61 WeakPolarHBondContact CD-O 3.26Å; R43-H61 WeakPolarHBondContact CG-O 3.37Å; P58-H61 PolarHBondContact O-N 2.88Å; P58-H61 VanDerWaalsContact O-N 3.09Å; H61-Y73 HydrophobicContact CB-CD1 4.32Å; H61-Y73 AromaticContact CG-CD1 3.99Å; H61-Y73 AromaticContact ND1-CD1 3.44Å; H61-Y73 WeakPolarHBondContact ND1-CD1 3.37Å; H61-D75 IonicContact CD2-OD1 2.59Å; H61-D75 IonicContact CE1-OD1 3.72Å; H61-D75 PolarHBondContact CE1-OD1 3.22Å; H61-D75 IonicContact NE2-OD1 2.64Å; H61-D75 PolarHBondContact NE2-OD1 2.75Å; H61-H82 AromaticContact CD2-CG 3.98Å; H61-H82 AromaticContact NE2-CG 3.88Å
62L98.6Very high94.9Very high4 Ų453.5 Ų53.52%0.02132%0.316CS..SBendtrans-71.9-41.9179.117564.4000112.2A29 V41 Q60 Y104 M105 C106 M114 I119A29-L62 HydrophobicContact CB-CD2 4.12Å; V41-L62 HydrophobicContact CG1-CB 4.39Å; V41-L62 HydrophobicContact CG1-CD2 3.39Å; V41-L62 HydrophobicContact CG1-CG 4.49Å; Q60-L62 PolarHBondContact O-N 3.4Å; L62-Y104 HydrophobicContact CD2-CD1 4.48Å; L62-Y104 HydrophobicContact CG-CD1 4.35Å; L62-Y104 WeakPolarHBondContact O-CA 3.5Å; L62-M105 WeakPolarHBondContact O-CG 3.26Å; L62-M105 PolarHBondContact O-N 3.26Å; L62-C106 HydrophobicContact CD1-CB 3.45Å; L62-C106 VanDerWaalsContact CD1-CB 3.45Å; L62-M114 HydrophobicContact CD1-CE 3.91Å; L62-M114 HydrophobicContact CD2-CE 4.13Å; L62-M114 HydrophobicContact CD2-SD 3.99Å; L62-I119 HydrophobicContact CD2-CD1 3.63Å
63I98.7Very high95.3Very high8 Ų852.7 Ų52.74%0.04131%0.31CS..EExtended strand (participates in β ladder)trans-100.7128.2-175.3-52179.6000108A27 A29 V84 Y102 N103 Y104 T121A27-I63 HydrophobicContact CB-CD1 4.32Å; A27-I63 HydrophobicContact CB-CG2 4.26Å; A29-I63 HydrophobicContact CB-CD1 3.94Å; A29-I63 HydrophobicContact CB-CG1 4.36Å; I63-V84 HydrophobicContact CB-CG1 4.19Å; I63-V84 HydrophobicContact CG2-CG1 3.8Å; I63-Y102 HydrophobicContact CG2-CD1 3.6Å; I63-Y102 HydrophobicContact CG2-CE1 4.27Å; I63-Y102 HydrophobicContact CG2-CG 4.28Å; I63-N103 WeakPolarHBondContact CA-O 2.96Å; I63-Y104 HydrophobicContact CD1-CE1 4.06Å; I63-Y104 HydrophobicContact CG1-CD1 4.14Å; I63-Y104 HydrophobicContact CG1-CE1 3.81Å; I63-T121 HydrophobicContact CD1-CG2 3.93Å
64R98.2Very high95.9Very high9 Ų952.1 Ų52.13%0.03430%0.301CS..EExtended strand (participates in β ladder)trans-118.1160.8170.3-64.1-170.8-172.6176.611110.8D52 D54 A57 Y73 Y102 N103 M105D52-R64 PolarHBondContact O-NH1 3.08Å; D52-R64 PolarHBondContact O-NH2 2.7Å; D52-R64 IonicContact OD1-NH2 2.66Å; D52-R64 PolarHBondContact OD1-NH2 2.93Å; D52-R64 VanDerWaalsContact OD1-NH2 3.09Å; D54-R64 WeakPolarHBondContact OD2-CD 3.08Å; D54-R64 IonicContact OD2-NH1 3.09Å; D54-R64 PolarHBondContact OD2-NH1 2.84Å; A57-R64 HydrophobicContact CB-CG 3.81Å; R64-Y73 WeakPolarHBondContact CA-OH 3.36Å; R64-Y73 HydrophobicContact CB-CE1 4.49Å; R64-Y73 WeakPolarHBondContact CB-OH 3.08Å; R64-Y73 HydrophobicContact CG-CE1 4.24Å; R64-Y102 CarbonylContact O-C 3.56Å; R64-Y102 VanDerWaalsContact O-CA 3.25Å; R64-Y102 WeakPolarHBondContact O-CA 3.29Å; R64-N103 HydrophobicContact CB-CB 4.41Å; R64-N103 PolarHBondContact N-O 2.72Å; R64-N103 PolarHBondContact O-N 2.86Å; R64-M105 HydrophobicContact CB-CG 4.38Å; R64-M105 HydrophobicContact CG-CG 3.67Å; R64-M105 HydrophobicContact CG-SD 4.28Å
65V98.2Very high96.5Very high9 Ų952.6 Ų52.66%0.05530%0.303CS..EExtended strand (participates in β ladder)trans-113.7128.6169.4176.30000108.6N68 V71 Y73 V84 V86 I100 H101 Y102V65-N68 HydrophobicContact CG1-CB 3.93Å; V65-V71 HydrophobicContact CB-CG2 4.02Å; V65-V71 HydrophobicContact CG2-CG2 4.37Å; V65-Y73 PolarHBondContact N-OH 2.88Å; V65-V84 HydrophobicContact CB-CG2 4.29Å; V65-V84 HydrophobicContact CG2-CG1 4.03Å; V65-V84 HydrophobicContact CG2-CG2 3.64Å; V65-V86 HydrophobicContact CB-CG1 4.33Å; V65-V86 HydrophobicContact CG1-CG1 3.97Å; V65-V86 HydrophobicContact CG2-CG1 4.22Å; V65-I100 HydrophobicContact CG1-CG2 3.94Å; V65-I100 HydrophobicContact CG2-CG2 4.07Å; V65-H101 WeakPolarHBondContact CA-O 3.28Å; V65-Y102 HydrophobicContact CG2-CD1 3.67Å; V65-Y102 HydrophobicContact CG2-CE1 3.53Å
66E95.1Very high96.9Very high64 Ų6452.4 Ų52.430%0.29929%0.286SS..SBendtrans-94.8150.2174.166.9-176.5-148.300111.5T8 N68 H101 N103T8-E66 VanDerWaalsContact CB-OE1 3.31Å; T8-E66 WeakPolarHBondContact CB-OE1 3.42Å; T8-E66 WeakPolarHBondContact CG2-OE1 3.27Å; T8-E66 VanDerWaalsContact OG1-CD 3.22Å; T8-E66 PolarHBondContact OG1-OE1 3.13Å; T8-E66 PolarHBondContact OG1-OE2 3.06Å; E66-N68 VanDerWaalsContact C-N 3.27Å; E66-N68 PolarHBondContact O-N 3.43Å; E66-H101 HydrophobicContact CG-CB 3.27Å; E66-H101 PolarHBondContact N-O 3.42Å; E66-H101 IonicContact OE1-CG 3.07Å; E66-N103 PolarHBondContact OE2-ND2 3.44Å; E66-N103 PolarHBondContact OE2-OD1 3.01Å
67G94Very high97Very high90 Ų9058.8 Ų58.893%0.92830%0.304SS*.SBendtrans72.89.3171.700000115.9
68N94.6Very high97.1Very high32 Ų3265.4 Ų65.417%0.17134%0.339CS..  trans-125.2112178.1-163.3-43.3000111.6V65 E66 R70 V71 V86V65-N68 HydrophobicContact CG1-CB 3.93Å; E66-N68 VanDerWaalsContact C-N 3.27Å; E66-N68 PolarHBondContact O-N 3.43Å; N68-R70 VanDerWaalsContact C-N 3.3Å; N68-R70 PolarHBondContact O-N 3.09Å; N68-R70 WeakPolarHBondContact OD1-CA 3.41Å; N68-R70 WeakPolarHBondContact OD1-CB 3.27Å; N68-R70 PolarHBondContact OD1-N 3Å; N68-V71 WeakPolarHBondContact O-CB 3.42Å; N68-V71 WeakPolarHBondContact O-CG1 3.19Å; N68-V86 HydrophobicContact CB-CG1 4.14Å
69L94.9Very high97.2Very high162 Ų16267.1 Ų67.185%0.84835%0.349SS*.THydrogen-bonded Turntrans-77.3-14.2179.7-63.3177.6000113.7V71L69-V71 PolarHBondContact O-N 2.92Å
70R97.2Very high97.2Very high129 Ų12971 Ų7149%0.48736%0.36SS..THydrogen-bonded Turntrans-90.915.8177-55.1-172.1-68.9163.8-0.4111.8N68 P87 E89N68-R70 VanDerWaalsContact C-N 3.3Å; N68-R70 PolarHBondContact O-N 3.09Å; N68-R70 WeakPolarHBondContact OD1-CA 3.41Å; N68-R70 WeakPolarHBondContact OD1-CB 3.27Å; N68-R70 PolarHBondContact OD1-N 3Å; R70-P87 HydrophobicContact CB-CG 3.76Å; R70-P87 WeakPolarHBondContact O-CD 3.46Å; R70-E89 IonicContact CZ-OE1 3.04Å; R70-E89 IonicContact NE-OE1 3.37Å; R70-E89 VanDerWaalsContact NH2-CD 3.33Å; R70-E89 IonicContact NH2-OE1 3.79Å; R70-E89 PolarHBondContact NH2-OE1 3.39Å
71V98.1Very high97.3Very high16 Ų1670.4 Ų70.410%0.09736%0.356CS..  trans-68.9134.3176.266.80000110.7L56 V65 N68 L69 Y73 V84 V85 V86L56-V71 HydrophobicContact CB-CG1 4.46Å; L56-V71 HydrophobicContact CD1-CG1 3.76Å; V65-V71 HydrophobicContact CB-CG2 4.02Å; V65-V71 HydrophobicContact CG2-CG2 4.37Å; N68-V71 WeakPolarHBondContact O-CB 3.42Å; N68-V71 WeakPolarHBondContact O-CG1 3.19Å; L69-V71 PolarHBondContact O-N 2.92Å; V71-Y73 HydrophobicContact CG1-CE2 3.92Å; V71-Y73 HydrophobicContact CG2-CD2 4.27Å; V71-Y73 HydrophobicContact CG2-CE2 3.76Å; V71-V84 HydrophobicContact CG2-CG2 3.24Å; V71-V85 WeakPolarHBondContact CA-O 3.46Å; V71-V86 HydrophobicContact CB-CG1 4.01Å; V71-V86 HydrophobicContact CG2-CG1 4.08Å
72E98Very high97.3Very high92 Ų9271.7 Ų71.743%0.4336%0.361SS..EExtended strand (participates in β ladder)trans-120.7126.8172.9-69.7173.6-139.400109.1R24 L74 V85R24-E72 IonicContact CZ-OE1 2.79Å; R24-E72 IonicContact CZ-OE2 3.77Å; R24-E72 IonicContact NH1-OE1 3.5Å; R24-E72 IonicContact NH1-OE2 3.81Å; R24-E72 PolarHBondContact NH1-OE2 3.42Å; R24-E72 IonicContact NH2-OE1 2.7Å; R24-E72 PolarHBondContact NH2-OE1 2.9Å; R24-E72 IonicContact NH2-OE2 3.43Å; R24-E72 PolarHBondContact NH2-OE2 2.97Å; E72-L74 HydrophobicContact CB-CD1 3.94Å; E72-V85 PolarHBondContact N-O 3.27Å; E72-V85 PolarHBondContact O-N 2.87Å
73Y98.3Very high97.3Very high36 Ų3671.8 Ų71.814%0.14136%0.362CS..EExtended strand (participates in β ladder)trans-98.2126.1173.2-67.9-84.9000109.1L56 A57 P58 H61 R64 V65 V71 V84L56-Y73 HydrophobicContact CB-CD2 4.47Å; L56-Y73 HydrophobicContact CB-CE2 4.04Å; L56-Y73 WeakPolarHBondContact O-CD2 3.45Å; A57-Y73 VanDerWaalsContact CA-CE2 3.47Å; A57-Y73 HydrophobicContact CB-CD1 4.39Å; A57-Y73 HydrophobicContact CB-CD2 4.27Å; A57-Y73 HydrophobicContact CB-CE1 3.82Å; A57-Y73 HydrophobicContact CB-CE2 3.7Å; A57-Y73 VanDerWaalsContact CB-CZ 3.45Å; P58-Y73 VanDerWaalsContact CD-CB 3.44Å; H61-Y73 HydrophobicContact CB-CD1 4.32Å; H61-Y73 AromaticContact CG-CD1 3.99Å; H61-Y73 AromaticContact ND1-CD1 3.44Å; H61-Y73 WeakPolarHBondContact ND1-CD1 3.37Å; R64-Y73 WeakPolarHBondContact CA-OH 3.36Å; R64-Y73 HydrophobicContact CB-CE1 4.49Å; R64-Y73 WeakPolarHBondContact CB-OH 3.08Å; R64-Y73 HydrophobicContact CG-CE1 4.24Å; V65-Y73 PolarHBondContact N-OH 2.88Å; V71-Y73 HydrophobicContact CG1-CE2 3.92Å; V71-Y73 HydrophobicContact CG2-CD2 4.27Å; V71-Y73 HydrophobicContact CG2-CE2 3.76Å; Y73-V84 HydrophobicContact CD1-CB 3.87Å; Y73-V84 HydrophobicContact CD1-CG2 3.79Å; Y73-V84 HydrophobicContact CE1-CB 3.81Å; Y73-V84 HydrophobicContact CE1-CG2 3.48Å; Y73-V84 VanDerWaalsContact CE1-CG2 3.48Å; Y73-V84 HydrophobicContact CG-CG2 4.46Å
74L97.7Very high97.3Very high58 Ų5871.4 Ų71.430%0.30436%0.361SS..EExtended strand (participates in β ladder)trans-117.9129.3-177.3-77.985.9000111.3E72 H82 S83 V85E72-L74 HydrophobicContact CB-CD1 3.94Å; L74-H82 WeakPolarHBondContact O-CA 3.29Å; L74-S83 PolarHBondContact N-O 3.27Å; L74-S83 PolarHBondContact O-N 2.9Å; L74-V85 HydrophobicContact CD1-CB 4.39Å; L74-V85 HydrophobicContact CD1-CG2 3.78Å
75D98Very high97.3Very high87 Ų8771 Ų7147%0.46536%0.359SS..EExtended strand (participates in β ladder)trans-101.3106.2163.4-64.6-29.5000108.3H61 R77 H82H61-D75 IonicContact CD2-OD1 2.59Å; H61-D75 IonicContact CE1-OD1 3.72Å; H61-D75 PolarHBondContact CE1-OD1 3.22Å; H61-D75 IonicContact NE2-OD1 2.64Å; H61-D75 PolarHBondContact NE2-OD1 2.75Å; D75-R77 PolarHBondContact O-N 2.76Å; D75-H82 IonicContact OD1-CD2 3.51Å; D75-H82 PolarHBondContact OD1-CD2 3.3Å; D75-H82 IonicContact OD1-CG 3.3Å; D75-H82 IonicContact OD1-NE2 2.84Å
76D97.6Very high97.3Very high63 Ų6370.7 Ų70.734%0.33736%0.357SS..  trans-65.2124.9-178.1-176-82000110.6N78 T79 F80 R81D76-N78 VanDerWaalsContact C-N 3.25Å; D76-N78 PolarHBondContact O-N 3.17Å; D76-N78 PolarHBondContact OD1-N 3.15Å; D76-T79 VanDerWaalsContact CB-OG1 3.28Å; D76-T79 WeakPolarHBondContact CB-OG1 3.41Å; D76-T79 WeakPolarHBondContact OD1-CB 3.35Å; D76-T79 PolarHBondContact OD1-N 2.83Å; D76-T79 PolarHBondContact OD1-OG1 2.94Å; D76-F80 WeakPolarHBondContact O-CA 3.37Å; D76-F80 PolarHBondContact O-N 3.23Å; D76-R81 PolarHBondContact N-O 2.93Å
77R96.8Very high97.5Very high227 Ų22769 Ų6986%0.85735%0.352SS*.THydrogen-bonded Turntrans-70.5-19.5-173-66.1-175.6177.7-176.90.6114.1D75D75-R77 PolarHBondContact O-N 2.76Å
78N97.2Very high97.7Very high143 Ų14365.8 Ų65.877%0.76531%0.312SS*.THydrogen-bonded Turntrans-99-42.3-175.8-61.2-41.6000111.4D76D76-N78 VanDerWaalsContact C-N 3.25Å; D76-N78 PolarHBondContact O-N 3.17Å; D76-N78 PolarHBondContact OD1-N 3.15Å
79T97.2Very high97.8Very high70 Ų7068.5 Ų68.543%0.42932%0.324SS..THydrogen-bonded Turntrans-102.3-13.1-174.467.50000113.1D76 R81D76-T79 VanDerWaalsContact CB-OG1 3.28Å; D76-T79 WeakPolarHBondContact CB-OG1 3.41Å; D76-T79 WeakPolarHBondContact OD1-CB 3.35Å; D76-T79 PolarHBondContact OD1-N 2.83Å; D76-T79 PolarHBondContact OD1-OG1 2.94Å; T79-R81 PolarHBondContact O-N 2.78Å; T79-R81 VanDerWaalsContact O-N 3.07Å; T79-R81 PolarHBondContact OG1-N 2.83Å
80F97.8Very high97.8Very high134 Ų13464.5 Ų64.559%0.58831%0.307SS*.  trans58.414.3-174.6-49.1-70000114V40 D76V40-F80 VanDerWaalsContact CG1-O 3.29Å; V40-F80 WeakPolarHBondContact CG1-O 3.36Å; V40-F80 HydrophobicContact CG2-CB 4.11Å; V40-F80 WeakPolarHBondContact CG2-O 3.38Å; D76-F80 WeakPolarHBondContact O-CA 3.37Å; D76-F80 PolarHBondContact O-N 3.23Å
81R98.5Very high97.7Very high44 Ų4460.3 Ų60.317%0.16630%0.297CS..  trans-76.5138.2179.3-66.9-170.5-175.6-76.5-0.1110.1M28 M37 E39 V40 D76 T79M28-R81 HydrophobicContact CE-CB 4.18Å; M28-R81 HydrophobicContact SD-CB 3.98Å; M28-R81 HydrophobicContact SD-CG 4.44Å; M37-R81 PolarHBondContact O-NH2 2.88Å; E39-R81 PolarHBondContact O-NH1 3.17Å; V40-R81 HydrophobicContact CG2-CG 4.35Å; D76-R81 PolarHBondContact N-O 2.93Å; T79-R81 PolarHBondContact O-N 2.78Å; T79-R81 VanDerWaalsContact O-N 3.07Å; T79-R81 PolarHBondContact OG1-N 2.83Å
82H98.7Very high97.5Very high28 Ų2867.5 Ų67.513%0.1333%0.329CS..EExtended strand (participates in β ladder)trans-86.8135.6174.6-53.5155.7000109.3H61 L74 D75H61-H82 AromaticContact CD2-CG 3.98Å; H61-H82 AromaticContact NE2-CG 3.88Å; L74-H82 WeakPolarHBondContact O-CA 3.29Å; D75-H82 IonicContact OD1-CD2 3.51Å; D75-H82 PolarHBondContact OD1-CD2 3.3Å; D75-H82 IonicContact OD1-CG 3.3Å; D75-H82 IonicContact OD1-NE2 2.84Å
83S98.7Very high97.3Very high6 Ų670.8 Ų70.84%0.04236%0.355CS..EExtended strand (participates in β ladder)trans-142.5155.3170.760.20000110.9R26 A27 L74R26-S83 PolarHBondContact NH1-OG 3.1Å; A27-S83 VanDerWaalsContact O-CA 3.32Å; A27-S83 WeakPolarHBondContact O-CA 3.43Å; A27-S83 WeakPolarHBondContact O-CB 3.25Å; L74-S83 PolarHBondContact N-O 3.27Å; L74-S83 PolarHBondContact O-N 2.9Å
84V98.7Very high97.1Very high1 Ų173 Ų731%0.00639%0.389CS..EExtended strand (participates in β ladder)trans-118137.8173.661.40000108.5R26 A27 I63 V65 V71 Y73 Y102R26-V84 CarbonylContact C-O 3.52Å; R26-V84 WeakPolarHBondContact CA-O 3.45Å; A27-V84 HydrophobicContact CB-CG1 3.9Å; A27-V84 PolarHBondContact N-O 3.27Å; A27-V84 PolarHBondContact O-N 2.79Å; I63-V84 HydrophobicContact CB-CG1 4.19Å; I63-V84 HydrophobicContact CG2-CG1 3.8Å; V65-V84 HydrophobicContact CB-CG2 4.29Å; V65-V84 HydrophobicContact CG2-CG1 4.03Å; V65-V84 HydrophobicContact CG2-CG2 3.64Å; V71-V84 HydrophobicContact CG2-CG2 3.24Å; Y73-V84 HydrophobicContact CD1-CB 3.87Å; Y73-V84 HydrophobicContact CD1-CG2 3.79Å; Y73-V84 HydrophobicContact CE1-CB 3.81Å; Y73-V84 HydrophobicContact CE1-CG2 3.48Å; Y73-V84 VanDerWaalsContact CE1-CG2 3.48Å; Y73-V84 HydrophobicContact CG-CG2 4.46Å; V84-Y102 HydrophobicContact CG1-CE1 4.18Å
85V98.5Very high97Very high0 Ų072.8 Ų72.80%039%0.393CS..EExtended strand (participates in β ladder)trans-132.6137.6-174.4-168.20000110.1R24 V25 R26 V71 E72 L74R24-V85 HydrophobicContact CB-CG1 3.71Å; R24-V85 HydrophobicContact CG-CG1 4.42Å; R24-V85 VanDerWaalsContact NH2-CG1 3.26Å; V25-V85 VanDerWaalsContact O-CA 3.3Å; V25-V85 WeakPolarHBondContact O-CA 3.46Å; R26-V85 HydrophobicContact CB-CG1 4.43Å; R26-V85 HydrophobicContact CB-CG2 3.89Å; R26-V85 HydrophobicContact CG-CG2 3.87Å; R26-V85 VanDerWaalsContact CZ-CG2 3.46Å; V71-V85 WeakPolarHBondContact CA-O 3.46Å; E72-V85 PolarHBondContact N-O 3.27Å; E72-V85 PolarHBondContact O-N 2.87Å; L74-V85 HydrophobicContact CD1-CB 4.39Å; L74-V85 HydrophobicContact CD1-CG2 3.78Å
86V98.5Very high96.9Very high2 Ų274.9 Ų74.91%0.01240%0.404CS..EExtended strand (participates in β ladder)trans-128.2154.4170.2-68.80000110.4R24 V25 V65 N68 V71 I100R24-V86 CarbonylContact C-O 3.55Å; R24-V86 WeakPolarHBondContact CA-O 3.41Å; V25-V86 HydrophobicContact CB-CG2 4.24Å; V25-V86 PolarHBondContact N-O 3.46Å; V25-V86 PolarHBondContact O-N 3.23Å; V65-V86 HydrophobicContact CB-CG1 4.33Å; V65-V86 HydrophobicContact CG1-CG1 3.97Å; V65-V86 HydrophobicContact CG2-CG1 4.22Å; N68-V86 HydrophobicContact CB-CG1 4.14Å; V71-V86 HydrophobicContact CB-CG1 4.01Å; V71-V86 HydrophobicContact CG2-CG1 4.08Å; V86-I100 HydrophobicContact CG2-CD1 3.47Å; V86-I100 VanDerWaalsContact CG2-CD1 3.47Å; V86-I100 HydrophobicContact CG2-CG1 4.19Å
87P98.3Very high96.8Very high30 Ų3072.4 Ų72.420%0.19539%0.391CS..EExtended strand (participates in β ladder)trans-58.8139.8167.2-22.634.6000110.5R70 E89R70-P87 HydrophobicContact CB-CG 3.76Å; R70-P87 WeakPolarHBondContact O-CD 3.46Å; P87-E89 PolarHBondContact O-N 3.34Å
88Y98Very high96.8Very high22 Ų2262.4 Ų62.49%0.08636%0.356CS..  trans-68.8127.5166.1172.7-93.4000109L13 V15 P19 T23 V25 P90 L125L13-Y88 HydrophobicContact CD1-CD2 4.34Å; V15-Y88 HydrophobicContact CG1-CE2 4.37Å; V15-Y88 VanDerWaalsContact CG2-OH 3.27Å; V15-Y88 WeakPolarHBondContact CG2-OH 3.48Å; P19-Y88 VanDerWaalsContact CD-CE1 3.45Å; P19-Y88 HydrophobicContact CG-CD1 3.44Å; P19-Y88 VanDerWaalsContact CG-CD1 3.44Å; P19-Y88 HydrophobicContact CG-CD2 4.38Å; P19-Y88 HydrophobicContact CG-CE1 3.33Å; P19-Y88 HydrophobicContact CG-CE2 4.29Å; P19-Y88 HydrophobicContact CG-CG 3.98Å; T23-Y88 HydrophobicContact CG2-CG 4.23Å; T23-Y88 WeakPolarHBondContact O-CB 3.43Å; T23-Y88 PolarHBondContact O-N 3.21Å; V25-Y88 HydrophobicContact CG2-CD2 4.19Å; Y88-P90 HydrophobicContact CE1-CB 4.38Å; Y88-P90 HydrophobicContact CE1-CG 4.06Å; Y88-L125 HydrophobicContact CD2-CD1 4.08Å; Y88-L125 HydrophobicContact CG-CD1 4.45Å
89E96.6Very high96.8Very high88 Ų8858 Ų5841%0.41133%0.334SS..  trans-108.5127.8170.7-69.3176.2-179.900107.7R70 P87 T98R70-E89 IonicContact CZ-OE1 3.04Å; R70-E89 IonicContact NE-OE1 3.37Å; R70-E89 VanDerWaalsContact NH2-CD 3.33Å; R70-E89 IonicContact NH2-OE1 3.79Å; R70-E89 PolarHBondContact NH2-OE1 3.39Å; P87-E89 PolarHBondContact O-N 3.34Å; E89-T98 HydrophobicContact CB-CG2 4.46Å; E89-T98 WeakPolarHBondContact O-CB 3.24Å; E89-T98 VanDerWaalsContact O-CG2 3.29Å; E89-T98 WeakPolarHBondContact O-CG2 3.46Å; E89-T98 PolarHBondContact O-OG1 3.06Å
90P95.6Very high96.8Very high78 Ų7855.3 Ų55.351%0.50632%0.317SS..PPolyproline II helixtrans-57.6152.5170.6-22.733.2000111.5T18 Y88T18-P90 HydrophobicContact CG2-CG 4.35Å; Y88-P90 HydrophobicContact CE1-CB 4.38Å; Y88-P90 HydrophobicContact CE1-CG 4.06Å
91P96Very high96.8Very high42 Ų4252.5 Ų52.527%0.27331%0.305SS..PPolyproline II helixtrans-54.7142.4178.1-25.534000112.1S95P91-S95 VanDerWaalsContact CB-O 3.26Å; P91-S95 WeakPolarHBondContact CB-O 3.32Å
92E93.2Very high96.8Very high166 Ų16650.4 Ų50.478%0.77630%0.298SS*.PPolyproline II helixtrans-60.5155.3171.4-66.3-173.4174.200110.9G94 S95E92-G94 PolarHBondContact O-N 2.88Å; E92-G94 VanDerWaalsContact O-N 3.08Å; E92-S95 WeakPolarHBondContact O-CB 3.33Å; E92-S95 PolarHBondContact O-N 2.64Å
93V93.8Very high96.8Very high161 Ų16149.9 Ų49.998%0.97630%0.296SS*.THydrogen-bonded Turntrans-57.3118.8179179.90000109.8
94G94.8Very high96.8Very high83 Ų8349.6 Ų49.686%0.85629%0.294SS*.THydrogen-bonded Turntrans96.6-1.2-177.100000115E92E92-G94 PolarHBondContact O-N 2.88Å; E92-G94 VanDerWaalsContact O-N 3.08Å
95S95.2Very high96.8Very high54 Ų5450.2 Ų50.238%0.37830%0.297SS..  trans-104.8143.3169.6-173.30000111.2P91 E92 C97P91-S95 VanDerWaalsContact CB-O 3.26Å; P91-S95 WeakPolarHBondContact CB-O 3.32Å; E92-S95 WeakPolarHBondContact O-CB 3.33Å; E92-S95 PolarHBondContact O-N 2.64Å; S95-C97 PolarHBondContact OG-N 3.3Å; S95-C97 PolarHBondContact OG-O 2.84Å
96D95.3Very high96.8Very high130 Ų13050.2 Ų50.270%0.69530%0.297SS*.SBendtrans-87.1-12.6174.2-60-42.1000112.8W14W14-D96 HydrophobicContact CE3-CB 4.38Å; W14-D96 HydrophobicContact CH2-CB 3.8Å; W14-D96 HydrophobicContact CZ3-CB 3.53Å
97C96Very high96.8Very high11 Ų1152 Ų527%0.07431%0.306CS..SBendtrans-146.7162.4-174.269.80000113.3L13 W14 S95L13-C97 WeakPolarHBondContact O-CB 3.39Å; W14-C97 HydrophobicContact CD2-CB 3.75Å; W14-C97 HydrophobicContact CE3-CB 4.29Å; W14-C97 HydrophobicContact CG-CB 4.03Å; W14-C97 HydrophobicContact CH2-CB 4.5Å; W14-C97 HydrophobicContact CZ2-CB 3.98Å; S95-C97 PolarHBondContact OG-N 3.3Å; S95-C97 PolarHBondContact OG-O 2.84Å
98T96Very high96.8Very high18 Ų1851 Ų5111%0.1130%0.3CS..EExtended strand (participates in β ladder)trans-103140172.4-60.70000109.4Q12 L13 E89Q12-T98 CarbonylContact C-O 3.51Å; Q12-T98 WeakPolarHBondContact CA-O 3.48Å; L13-T98 PolarHBondContact N-O 3.24Å; L13-T98 PolarHBondContact O-N 3.09Å; E89-T98 HydrophobicContact CB-CG2 4.46Å; E89-T98 WeakPolarHBondContact O-CB 3.24Å; E89-T98 VanDerWaalsContact O-CG2 3.29Å; E89-T98 WeakPolarHBondContact O-CG2 3.46Å; E89-T98 PolarHBondContact O-OG1 3.06Å
99T97.2Very high96.8Very high50 Ų5052.9 Ų52.931%0.30732%0.316SS..EExtended strand (participates in β ladder)trans-113.1129.9179.8-60.20000111P10 V11P10-T99 HydrophobicContact CB-CG2 3.76Å; V11-T99 WeakPolarHBondContact O-CA 3.45Å
100I98.1Very high96.9Very high13 Ų1349.4 Ų49.47%0.06730%0.302CS..EExtended strand (participates in β ladder)trans-104.6131.7167.6-60.5173.4000108.9V11 L13 V25 V65 V86 Y102V11-I100 PolarHBondContact N-O 3.34Å; V11-I100 PolarHBondContact O-N 3.21Å; L13-I100 HydrophobicContact CD1-CD1 3.7Å; L13-I100 HydrophobicContact CD1-CG1 4.09Å; L13-I100 HydrophobicContact CG-CD1 4.47Å; V25-I100 HydrophobicContact CB-CD1 3.76Å; V25-I100 HydrophobicContact CG1-CD1 3.6Å; V25-I100 HydrophobicContact CG2-CD1 4.16Å; V65-I100 HydrophobicContact CG1-CG2 3.94Å; V65-I100 HydrophobicContact CG2-CG2 4.07Å; V86-I100 HydrophobicContact CG2-CD1 3.47Å; V86-I100 VanDerWaalsContact CG2-CD1 3.47Å; V86-I100 HydrophobicContact CG2-CG1 4.19Å; I100-Y102 HydrophobicContact CB-CD2 4.42Å; I100-Y102 HydrophobicContact CB-CE2 3.82Å; I100-Y102 HydrophobicContact CG2-CD1 4.15Å; I100-Y102 HydrophobicContact CG2-CD2 4.03Å; I100-Y102 HydrophobicContact CG2-CE1 3.72Å; I100-Y102 HydrophobicContact CG2-CE2 3.6Å; I100-Y102 HydrophobicContact CG2-CG 4.3Å; I100-Y102 VanDerWaalsContact CG2-CZ 3.42Å
101H98.2Very high97Very high75 Ų7553.4 Ų53.435%0.34732%0.315SS..EExtended strand (participates in β ladder)trans-95.1106.5176.7-62.1116.5000110.1T8 V65 E66T8-H101 HydrophobicContact CG2-CB 4.02Å; V65-H101 WeakPolarHBondContact CA-O 3.28Å; E66-H101 HydrophobicContact CG-CB 3.27Å; E66-H101 PolarHBondContact N-O 3.42Å; E66-H101 IonicContact OE1-CG 3.07Å
102Y98.7Very high97Very high1 Ų154 Ų540%0.00433%0.329CS..EExtended strand (participates in β ladder)trans-94.9154.8177.1-66.3-73.3000111.9C9 V11 A27 I63 R64 V65 V84 I100 I123C9-Y102 VanDerWaalsContact CB-O 3.3Å; C9-Y102 WeakPolarHBondContact CB-O 3.31Å; C9-Y102 PolarHBondContact N-O 2.81Å; C9-Y102 PolarHBondContact O-N 2.98Å; V11-Y102 HydrophobicContact CB-CD2 3.92Å; V11-Y102 HydrophobicContact CB-CE2 3.85Å; V11-Y102 HydrophobicContact CG1-CE2 4.35Å; V11-Y102 HydrophobicContact CG2-CD2 3.61Å; V11-Y102 HydrophobicContact CG2-CE2 3.97Å; A27-Y102 HydrophobicContact CB-CD1 4.27Å; A27-Y102 HydrophobicContact CB-CE1 3.48Å; A27-Y102 VanDerWaalsContact CB-CE1 3.48Å; I63-Y102 HydrophobicContact CG2-CD1 3.6Å; I63-Y102 HydrophobicContact CG2-CE1 4.27Å; I63-Y102 HydrophobicContact CG2-CG 4.28Å; R64-Y102 CarbonylContact O-C 3.56Å; R64-Y102 VanDerWaalsContact O-CA 3.25Å; R64-Y102 WeakPolarHBondContact O-CA 3.29Å; V65-Y102 HydrophobicContact CG2-CD1 3.67Å; V65-Y102 HydrophobicContact CG2-CE1 3.53Å; V84-Y102 HydrophobicContact CG1-CE1 4.18Å; I100-Y102 HydrophobicContact CB-CD2 4.42Å; I100-Y102 HydrophobicContact CB-CE2 3.82Å; I100-Y102 HydrophobicContact CG2-CD1 4.15Å; I100-Y102 HydrophobicContact CG2-CD2 4.03Å; I100-Y102 HydrophobicContact CG2-CE1 3.72Å; I100-Y102 HydrophobicContact CG2-CE2 3.6Å; I100-Y102 HydrophobicContact CG2-CG 4.3Å; I100-Y102 VanDerWaalsContact CG2-CZ 3.42Å; Y102-I123 HydrophobicContact CE2-CD1 4.1Å
103N98.4Very high97.2Very high17 Ų1746.1 Ų46.19%0.09129%0.293CS..EExtended strand (participates in β ladder)trans-126.2139.9165.5-48117.2000110.5K7 T8 I63 R64 E66 M105K7-N103 PolarHBondContact O-ND2 2.69Å; T8-N103 PolarHBondContact N-ND2 3.42Å; I63-N103 WeakPolarHBondContact CA-O 2.96Å; R64-N103 HydrophobicContact CB-CB 4.41Å; R64-N103 PolarHBondContact N-O 2.72Å; R64-N103 PolarHBondContact O-N 2.86Å; E66-N103 PolarHBondContact OE2-ND2 3.44Å; E66-N103 PolarHBondContact OE2-OD1 3.01Å; N103-M105 HydrophobicContact CB-SD 3.6Å
104Y98.6Very high97.4Very high0 Ų038.5 Ų38.50%025%0.246CC..EExtended strand (participates in β ladder)trans-105116.4173.4-65.4-94.1000110.2M1 A6 C9 L62 I63 C106 T121 V140 V142M1-Y104 HydrophobicContact SD-CE2 3.88Å; A6-Y104 PolarHBondContact N-O 2.92Å; C9-Y104 HydrophobicContact CB-CD2 4.49Å; C9-Y104 HydrophobicContact CB-CE2 4.21Å; L62-Y104 HydrophobicContact CD2-CD1 4.48Å; L62-Y104 HydrophobicContact CG-CD1 4.35Å; L62-Y104 WeakPolarHBondContact O-CA 3.5Å; I63-Y104 HydrophobicContact CD1-CE1 4.06Å; I63-Y104 HydrophobicContact CG1-CD1 4.14Å; I63-Y104 HydrophobicContact CG1-CE1 3.81Å; Y104-C106 VanDerWaalsContact C-N 3.31Å; Y104-C106 PolarHBondContact O-N 3.42Å; Y104-T121 WeakPolarHBondContact CE1-OG1 3.49Å; Y104-T121 WeakPolarHBondContact OH-CB 3.14Å; Y104-T121 PolarHBondContact OH-OG1 2.86Å; Y104-V140 HydrophobicContact CD1-CG1 3.94Å; Y104-V140 HydrophobicContact CD2-CG1 4.16Å; Y104-V140 HydrophobicContact CE1-CB 4.19Å; Y104-V140 HydrophobicContact CE1-CG1 3.79Å; Y104-V140 HydrophobicContact CE1-CG2 3.95Å; Y104-V140 HydrophobicContact CE2-CG1 4.03Å; Y104-V140 HydrophobicContact CE2-CG2 4.45Å; Y104-V140 HydrophobicContact CG-CG1 4.13Å; Y104-V140 WeakPolarHBondContact OH-CG2 3.46Å; Y104-V142 VanDerWaalsContact CB-CG2 3.45Å; Y104-V142 HydrophobicContact CD1-CG2 4.28Å; Y104-V142 HydrophobicContact CG-CG2 3.93Å
105M98.2Very high97.5Very high14 Ų1438.5 Ų38.57%0.06923%0.227CC..  trans-95.118.8-163.5-53-49-68.200113.9L5 A6 R43 L62 R64 N103L5-M105 VanDerWaalsContact CD1-C 3.43Å; A6-M105 HydrophobicContact CB-CE 3.69Å; A6-M105 HydrophobicContact CB-SD 3.91Å; R43-M105 HydrophobicContact CG-CB 4.34Å; R43-M105 PolarHBondContact NE-O 2.73Å; R43-M105 PolarHBondContact NH2-O 2.87Å; L62-M105 WeakPolarHBondContact O-CG 3.26Å; L62-M105 PolarHBondContact O-N 3.26Å; R64-M105 HydrophobicContact CB-CG 4.38Å; R64-M105 HydrophobicContact CG-CG 3.67Å; R64-M105 HydrophobicContact CG-SD 4.28Å; N103-M105 HydrophobicContact CB-SD 3.6Å
106C98.2Very high97.7Very high0 Ų045.4 Ų45.40%025%0.245CC..SBendtrans-153.9138.1176.9-126.20000109.7L5 R43 C44 H47 L62 Y104 C110 M114 V142L5-C106 VanDerWaalsContact CD1-N 3.32Å; R43-C106 HydrophobicContact CG-CB 4.47Å; C44-C106 PolarHBondContact N-SG 3.04Å; C44-C106 VanDerWaalsContact SG-SG 3.62Å; H47-C106 PolarHBondContact ND1-SG 2.76Å; L62-C106 HydrophobicContact CD1-CB 3.45Å; L62-C106 VanDerWaalsContact CD1-CB 3.45Å; Y104-C106 VanDerWaalsContact C-N 3.31Å; Y104-C106 PolarHBondContact O-N 3.42Å; C106-C110 VanDerWaalsContact SG-SG 3.66Å; C106-M114 HydrophobicContact CB-CE 4.01Å; C106-M114 WeakPolarHBondContact O-CE 3.39Å; C106-V142 VanDerWaalsContact O-CB 3.29Å; C106-V142 WeakPolarHBondContact O-CB 3.48Å; C106-V142 VanDerWaalsContact O-CG1 3.32Å; C106-V142 WeakPolarHBondContact O-CG1 3.48Å; C106-V142 WeakPolarHBondContact O-CG2 3.38Å
107N98.5Very high97.8Very high38 Ų3840.8 Ų40.820%0.20322%0.218CC..  trans-67.8146.7169-71.9-51.6000110.1S109 C110 M114N107-S109 PolarHBondContact O-N 3.33Å; N107-S109 VanDerWaalsContact O-N 3.08Å; N107-C110 PolarHBondContact N-SG 2.98Å; N107-C110 VanDerWaalsContact N-SG 3.42Å; N107-C110 VanDerWaalsContact O-CB 3.29Å; N107-C110 WeakPolarHBondContact O-CB 3.5Å; N107-C110 PolarHBondContact O-N 2.76Å; N107-C110 PolarHBondContact O-SG 2.73Å; N107-M114 WeakPolarHBondContact O-CE 3.36Å
108S98.5Very high97.9Very high11 Ų1141.8 Ų41.88%0.07722%0.224CC..THydrogen-bonded Turntrans-57.2-27.9175.2-61.90000111.7M114 N115 R116 V142S108-M114 WeakPolarHBondContact O-CB 3.43Å; S108-N115 PolarHBondContact O-N 2.98Å; S108-R116 VanDerWaalsContact O-CA 3.25Å; S108-R116 WeakPolarHBondContact O-CA 3.3Å; S108-R116 PolarHBondContact O-N 3.37Å; S108-V142 PolarHBondContact N-O 2.96Å; S108-V142 PolarHBondContact OG-N 2.95Å; S108-V142 PolarHBondContact OG-O 3.08Å
109S98.3Very high98.1Very high60 Ų6041 Ų4142%0.4222%0.219SC..THydrogen-bonded Turntrans-82.1-2.9177.858.10000115.5N107 M111N107-S109 PolarHBondContact O-N 3.33Å; N107-S109 VanDerWaalsContact O-N 3.08Å; S109-M111 PolarHBondContact O-N 3.06Å; S109-M111 VanDerWaalsContact O-N 3.16Å
110C98.2Very high98.1Very high16 Ų1640.4 Ų40.411%0.10821%0.214CC..  trans-60.3119.3-176-79.20000112C44 H47 C106 N107 G113 N115C44-C110 HydrophobicContact CB-CB 3.86Å; H47-C110 PolarHBondContact CE1-SG 3.18Å; H47-C110 PolarHBondContact ND1-SG 2.78Å; H47-C110 VanDerWaalsContact ND1-SG 3.45Å; C106-C110 VanDerWaalsContact SG-SG 3.66Å; N107-C110 PolarHBondContact N-SG 2.98Å; N107-C110 VanDerWaalsContact N-SG 3.42Å; N107-C110 VanDerWaalsContact O-CB 3.29Å; N107-C110 WeakPolarHBondContact O-CB 3.5Å; N107-C110 PolarHBondContact O-N 2.76Å; N107-C110 PolarHBondContact O-SG 2.73Å; C110-G113 PolarHBondContact O-N 2.94Å; C110-N115 WeakPolarHBondContact O-CA 3.45Å; C110-N115 PolarHBondContact O-N 3.44Å
111M97.8Very high98.2Very high161 Ų16139.8 Ų39.879%0.79321%0.211SC*.THydrogen-bonded Turntrans-62.6136.2176.2-172.3175.271.300110.7C44 S109 G113C44-M111 VanDerWaalsContact CB-O 3.27Å; C44-M111 WeakPolarHBondContact CB-O 3.13Å; S109-M111 PolarHBondContact O-N 3.06Å; S109-M111 VanDerWaalsContact O-N 3.16Å; M111-G113 PolarHBondContact O-N 2.86Å
112G96.1Very high98.2Very high54 Ų5437.7 Ų37.756%0.55720%0.201SC*.THydrogen-bonded Turntrans74.3-1-177.700000115.6
113G97Very high98.2Very high2 Ų238 Ų382%0.02120%0.203CC..THydrogen-bonded Turntrans-114.8-119.2169.100000109.9Y31 C110 M111 N115 R117Y31-G113 PolarHBondContact OH-O 3.22Å; C110-G113 PolarHBondContact O-N 2.94Å; M111-G113 PolarHBondContact O-N 2.86Å; G113-N115 PolarHBondContact O-N 2.98Å; G113-R117 PolarHBondContact O-NH2 3.02Å
114M98.3Very high98.2Very high0 Ų037.9 Ų37.90%020%0.203CC..THydrogen-bonded Turntrans-57.8-33.8175.6-73.4-172.1-81.800113.5Y31 V41 L62 C106 N107 S108 R116 R117 I119 V142Y31-M114 HydrophobicContact CE1-CB 4.38Å; Y31-M114 HydrophobicContact CE1-CG 4.25Å; Y31-M114 WeakPolarHBondContact OH-CA 3.21Å; V41-M114 HydrophobicContact CG1-CG 4.38Å; L62-M114 HydrophobicContact CD1-CE 3.91Å; L62-M114 HydrophobicContact CD2-CE 4.13Å; L62-M114 HydrophobicContact CD2-SD 3.99Å; C106-M114 HydrophobicContact CB-CE 4.01Å; C106-M114 WeakPolarHBondContact O-CE 3.39Å; N107-M114 WeakPolarHBondContact O-CE 3.36Å; S108-M114 WeakPolarHBondContact O-CB 3.43Å; M114-R116 PolarHBondContact O-N 2.8Å; M114-R117 WeakPolarHBondContact O-CB 3.35Å; M114-R117 WeakPolarHBondContact O-CG 3.38Å; M114-R117 PolarHBondContact O-N 2.99Å; M114-R117 PolarHBondContact O-NE 3.09Å; M114-I119 HydrophobicContact CG-CG2 4.11Å; M114-I119 HydrophobicContact SD-CB 4.49Å; M114-I119 HydrophobicContact SD-CD1 3.66Å; M114-I119 HydrophobicContact SD-CG1 3.9Å; M114-I119 HydrophobicContact SD-CG2 3.76Å; M114-V142 HydrophobicContact CE-CG2 4.35Å
115N98Very high98.2Very high83 Ų8339 Ų3944%0.44421%0.209SC..THydrogen-bonded Turntrans48.950.3173-163.834.4000114.4S108 C110 G113 R117S108-N115 PolarHBondContact O-N 2.98Å; C110-N115 WeakPolarHBondContact O-CA 3.45Å; C110-N115 PolarHBondContact O-N 3.44Å; G113-N115 PolarHBondContact O-N 2.98Å; N115-R117 PolarHBondContact O-N 3.15Å
116R97.9Very high98.2Very high199 Ų19939.2 Ų39.275%0.75121%0.21SC*.THydrogen-bonded Turntrans65.610.3-179.3-53.7174.2-178.8-940.3115.2S108 M114S108-R116 VanDerWaalsContact O-CA 3.25Å; S108-R116 WeakPolarHBondContact O-CA 3.3Å; S108-R116 PolarHBondContact O-N 3.37Å; M114-R116 PolarHBondContact O-N 2.8Å
117R98.3Very high98.2Very high34 Ų3440.8 Ų40.813%0.12822%0.218CC..  trans-83.2130.3174.6-59.9171.6-72.7177.3-0.8109.9Y31 H36 E39 G113 M114 N115Y31-R117 HydrophobicContact CD1-CB 3.68Å; Y31-R117 HydrophobicContact CE1-CB 3.78Å; Y31-R117 PolarHBondContact OH-NH2 3.13Å; H36-R117 WeakPolarHBondContact CD2-CD 3.3Å; H36-R117 WeakPolarHBondContact NE2-CD 3.44Å; E39-R117 IonicContact OE1-CZ 3.15Å; E39-R117 VanDerWaalsContact OE1-CZ 3.32Å; E39-R117 IonicContact OE1-NH1 2.71Å; E39-R117 PolarHBondContact OE1-NH1 3.27Å; E39-R117 IonicContact OE1-NH2 2.97Å; E39-R117 PolarHBondContact OE1-NH2 2.96Å; E39-R117 IonicContact OE2-CZ 3.36Å; E39-R117 IonicContact OE2-NH1 3.33Å; E39-R117 PolarHBondContact OE2-NH1 3.21Å; E39-R117 IonicContact OE2-NH2 2.68Å; G113-R117 PolarHBondContact O-NH2 3.02Å; M114-R117 WeakPolarHBondContact O-CB 3.35Å; M114-R117 WeakPolarHBondContact O-CG 3.38Å; M114-R117 PolarHBondContact O-N 2.99Å; M114-R117 PolarHBondContact O-NE 3.09Å; N115-R117 PolarHBondContact O-N 3.15Å
118P98.3Very high98.1Very high32 Ų3243.2 Ų43.221%0.20824%0.238CC..  trans-68.2145.5178.526.5-32.3000111.2K32 Q33 E139K32-P118 HydrophobicContact CB-CB 4.16Å; K32-P118 HydrophobicContact CB-CG 4.13Å; K32-P118 HydrophobicContact CD-CB 4.29Å; K32-P118 HydrophobicContact CD-CG 4.45Å; K32-P118 PolarHBondContact N-O 3.05Å; Q33-P118 HydrophobicContact CG-CG 4.09Å; P118-E139 WeakPolarHBondContact CB-OE1 3.18Å
119I98.8Very high98Very high0 Ų047.2 Ų47.20%027%0.266CS..EExtended strand (participates in β ladder)trans-121.4152178.958.6158.6000111.2A29 I30 Y31 V41 L62 M114 E139 V140A29-I119 HydrophobicContact CB-CD1 4.45Å; I30-I119 CarbonylContact O-C 3.58Å; I30-I119 WeakPolarHBondContact O-CA 3.37Å; I30-I119 WeakPolarHBondContact O-CB 3.35Å; Y31-I119 HydrophobicContact CD1-CG2 3.65Å; Y31-I119 HydrophobicContact CE1-CG2 3.87Å; V41-I119 HydrophobicContact CG1-CG2 4.24Å; V41-I119 HydrophobicContact CG2-CG2 4.09Å; L62-I119 HydrophobicContact CD2-CD1 3.63Å; M114-I119 HydrophobicContact CG-CG2 4.11Å; M114-I119 HydrophobicContact SD-CB 4.49Å; M114-I119 HydrophobicContact SD-CD1 3.66Å; M114-I119 HydrophobicContact SD-CG1 3.9Å; M114-I119 HydrophobicContact SD-CG2 3.76Å; I119-E139 WeakPolarHBondContact O-CA 3.16Å; I119-V140 HydrophobicContact CD1-CB 4.1Å; I119-V140 HydrophobicContact CG1-CB 4.11Å; I119-V140 WeakPolarHBondContact CG1-O 3.49Å; I119-V140 PolarHBondContact O-N 3.42Å
120L98.8Very high97.7Very high39 Ų3946.5 Ų46.520%0.20427%0.269CS..EExtended strand (participates in β ladder)trans-104.9137.4164.1-58.5177.1000108.2A29 I30 K32 F138 E139A29-L120 WeakPolarHBondContact CA-O 3.27Å; I30-L120 HydrophobicContact CD1-CD1 4.4Å; I30-L120 HydrophobicContact CG1-CB 3.99Å; I30-L120 PolarHBondContact N-O 3.06Å; I30-L120 PolarHBondContact O-N 3.49Å; K32-L120 HydrophobicContact CB-CD2 4.34Å; K32-L120 HydrophobicContact CB-CG 4.03Å; K32-L120 HydrophobicContact CD-CD2 4.23Å; K32-L120 HydrophobicContact CG-CD1 4.48Å; K32-L120 HydrophobicContact CG-CD2 4.19Å; K32-L120 HydrophobicContact CG-CG 4.23Å; L120-F138 WeakPolarHBondContact CA-O 3.4Å; L120-E139 HydrophobicContact CD2-CB 3.88Å
121T98.8Very high97.7Very high0 Ų050.2 Ų50.20%029%0.287CS..EExtended strand (participates in β ladder)trans-93.2122.1159.3-65.30000107.6A27 M28 I63 Y104 I123 S137 F138 V140A27-T121 HydrophobicContact CB-CG2 4.31Å; M28-T121 WeakPolarHBondContact O-CA 3.3Å; I63-T121 HydrophobicContact CD1-CG2 3.93Å; Y104-T121 WeakPolarHBondContact CE1-OG1 3.49Å; Y104-T121 WeakPolarHBondContact OH-CB 3.14Å; Y104-T121 PolarHBondContact OH-OG1 2.86Å; T121-I123 HydrophobicContact CG2-CD1 3.63Å; T121-I123 HydrophobicContact CG2-CG1 4.31Å; T121-S137 CarbonylContact O-C 3.47Å; T121-S137 WeakPolarHBondContact O-CA 3.39Å; T121-S137 WeakPolarHBondContact O-CB 3.34Å; T121-F138 HydrophobicContact CG2-CE1 4.22Å; T121-F138 HydrophobicContact CG2-CE2 4.36Å; T121-F138 HydrophobicContact CG2-CZ 3.83Å; T121-F138 PolarHBondContact N-O 3.39Å; T121-F138 PolarHBondContact O-N 3.3Å; T121-V140 WeakPolarHBondContact OG1-CG2 3.47Å
122I98.7Very high97.7Very high30 Ų3047.5 Ų47.515%0.15428%0.275CS..EExtended strand (participates in β ladder)trans-97.1125.7172-58.2175.4000106.9A27 M28 I30 T124 R135A27-I122 WeakPolarHBondContact CA-O 3.13Å; M28-I122 PolarHBondContact N-O 3.22Å; M28-I122 PolarHBondContact O-N 3.48Å; I30-I122 HydrophobicContact CD1-CD1 3.63Å; I30-I122 HydrophobicContact CD1-CG1 4.44Å; I30-I122 HydrophobicContact CG1-CD1 3.91Å; I30-I122 HydrophobicContact CG1-CG1 4.35Å; I30-I122 HydrophobicContact CG2-CD1 4.27Å; I122-T124 HydrophobicContact CG2-CG2 4.1Å; I122-R135 HydrophobicContact CG2-CG 3.81Å
123I98.8Very high97.8Very high7 Ų747.1 Ų47.14%0.03626%0.26CS..EExtended strand (participates in β ladder)trans-105.1125.3171.2-54.6-57.6000107.7L13 V25 R26 A27 Y102 T121 R135 N136 F138 L198L13-I123 HydrophobicContact CD2-CG2 4.26Å; V25-I123 HydrophobicContact CG1-CG2 3.73Å; R26-I123 CarbonylContact O-C 3.56Å; R26-I123 VanDerWaalsContact O-CA 3.27Å; R26-I123 WeakPolarHBondContact O-CA 3.49Å; A27-I123 HydrophobicContact CB-CD1 3.51Å; Y102-I123 HydrophobicContact CE2-CD1 4.1Å; T121-I123 HydrophobicContact CG2-CD1 3.63Å; T121-I123 HydrophobicContact CG2-CG1 4.31Å; I123-R135 WeakPolarHBondContact O-CA 3.46Å; I123-N136 PolarHBondContact N-O 3.47Å; I123-N136 PolarHBondContact O-N 2.88Å; I123-N136 VanDerWaalsContact O-O 3.08Å; I123-F138 HydrophobicContact CD1-CE1 4.37Å; I123-F138 HydrophobicContact CG1-CE1 3.84Å; I123-L198 HydrophobicContact CB-CD1 3.94Å; I123-L198 HydrophobicContact CG1-CD1 3.76Å; I123-L198 HydrophobicContact CG2-CD1 4.13Å
124T98.7Very high97.8Very high16 Ų1647.4 Ų47.410%0.09826%0.263CS..EExtended strand (participates in β ladder)trans-117.7135.5174.145.60000110.3V25 R26 I122 E126 L132 G134 R135V25-T124 WeakPolarHBondContact CA-O 3.43Å; R26-T124 WeakPolarHBondContact CB-OG1 3.43Å; R26-T124 PolarHBondContact N-O 2.82Å; R26-T124 PolarHBondContact O-N 2.91Å; I122-T124 HydrophobicContact CG2-CG2 4.1Å; T124-E126 PolarHBondContact OG1-OE1 3.27Å; T124-L132 HydrophobicContact CG2-CD1 3.54Å; T124-G134 WeakPolarHBondContact CA-O 3.41Å; T124-R135 HydrophobicContact CG2-CB 4.15Å; T124-R135 HydrophobicContact CG2-CG 3.82Å
125L98.6Very high97.8Very high24 Ų2454.8 Ų54.813%0.12629%0.291CS..EExtended strand (participates in β ladder)trans-93.4124165.8-166.571.3000107V15 P19 T23 V25 Y88 L133 G134V15-L125 HydrophobicContact CG1-CD2 4.38Å; P19-L125 HydrophobicContact CB-CD2 4.32Å; P19-L125 HydrophobicContact CG-CD2 4.48Å; T23-L125 HydrophobicContact CG2-CD1 3.38Å; T23-L125 HydrophobicContact CG2-CD2 4.26Å; T23-L125 HydrophobicContact CG2-CG 3.61Å; V25-L125 HydrophobicContact CG2-CD1 3.84Å; Y88-L125 HydrophobicContact CD2-CD1 4.08Å; Y88-L125 HydrophobicContact CG-CD1 4.45Å; L125-L133 HydrophobicContact CB-CB 4.3Å; L125-L133 HydrophobicContact CD2-CB 4.21Å; L125-L133 HydrophobicContact CG-CB 4.24Å; L125-L133 HydrophobicContact CG-CD1 4.43Å; L125-L133 WeakPolarHBondContact O-CA 3.41Å; L125-L133 WeakPolarHBondContact O-CB 3.48Å; L125-L133 PolarHBondContact O-N 2.98Å; L125-G134 PolarHBondContact N-O 2.66Å; L125-G134 PolarHBondContact O-N 3.45Å
126E98.6Very high97.8Very high17 Ų1753.2 Ų53.28%0.07928%0.283CS..EExtended strand (participates in β ladder)trans-127.7143.5-171.3-67.6168.9-161.200110.3T23 R24 R26 T124 N131T23-E126 CarbonylContact C-O 3.48Å; T23-E126 WeakPolarHBondContact CA-O 3.41Å; T23-E126 WeakPolarHBondContact CG2-O 3.29Å; R24-E126 PolarHBondContact N-O 2.92Å; R24-E126 PolarHBondContact O-N 3.35Å; R26-E126 VanDerWaalsContact CD-OE1 3.3Å; R26-E126 WeakPolarHBondContact CD-OE1 3.24Å; R26-E126 IonicContact CZ-OE1 3.21Å; R26-E126 IonicContact CZ-OE2 3.93Å; R26-E126 VanDerWaalsContact NE-CD 3.32Å; R26-E126 IonicContact NE-OE1 3.6Å; R26-E126 PolarHBondContact NE-OE1 3.33Å; R26-E126 IonicContact NE-OE2 3.71Å; R26-E126 PolarHBondContact NE-OE2 3.3Å; R26-E126 IonicContact NH2-OE1 3.6Å; R26-E126 IonicContact NH2-OE2 3.89Å; R26-E126 PolarHBondContact NH2-OE2 3.01Å; T124-E126 PolarHBondContact OG1-OE1 3.27Å; E126-N131 CarbonylContact C-O 3.57Å; E126-N131 WeakPolarHBondContact CA-O 3.32Å
127D97.6Very high97.9Very high33 Ų3346.4 Ų46.418%0.17627%0.265CS..  trans-73.9178.7170.374.911.2000111.8S129 G130 N131 L133D127-S129 PolarHBondContact O-N 3.28Å; D127-S129 VanDerWaalsContact OD1-C 3.32Å; D127-S129 VanDerWaalsContact OD1-CA 3.28Å; D127-S129 WeakPolarHBondContact OD1-CA 2.98Å; D127-S129 WeakPolarHBondContact OD1-CB 3.49Å; D127-S129 PolarHBondContact OD1-N 2.96Å; D127-G130 PolarHBondContact O-N 2.82Å; D127-G130 PolarHBondContact OD1-N 2.96Å; D127-N131 PolarHBondContact N-O 3.27Å; D127-N131 PolarHBondContact OD1-N 2.87Å; D127-N131 PolarHBondContact OD1-ND2 3.33Å; D127-N131 WeakPolarHBondContact OD2-CB 3.41Å; D127-N131 PolarHBondContact OD2-ND2 3.24Å; D127-L133 HydrophobicContact CB-CD1 4.11Å; D127-L133 HydrophobicContact CB-CD2 4.24Å; D127-L133 HydrophobicContact CB-CG 4.25Å
128S96.5Very high97.9Very high89 Ų8945.9 Ų45.962%0.62226%0.264SS*.THydrogen-bonded Turntrans-64.7-18.3179.257.10000114.1
129S95.8Very high97.9Very high96 Ų9647.7 Ų47.767%0.67127%0.27SS*.THydrogen-bonded Turntrans-92.2-3.7176-57.40000112.6D127D127-S129 PolarHBondContact O-N 3.28Å; D127-S129 VanDerWaalsContact OD1-C 3.32Å; D127-S129 VanDerWaalsContact OD1-CA 3.28Å; D127-S129 WeakPolarHBondContact OD1-CA 2.98Å; D127-S129 WeakPolarHBondContact OD1-CB 3.49Å; D127-S129 PolarHBondContact OD1-N 2.96Å
130G92.9Very high97.9Very high45 Ų4547.7 Ų47.746%0.46427%0.27SS..  trans83.712.2-176.400000114.3D127D127-G130 PolarHBondContact O-N 2.82Å; D127-G130 PolarHBondContact OD1-N 2.96Å
131N97Very high97.9Very high94 Ų9450.4 Ų50.450%0.50328%0.277SS..  trans-74.8144.1173.9-55.1-57.3000110.5E126 D127 L133E126-N131 CarbonylContact C-O 3.57Å; E126-N131 WeakPolarHBondContact CA-O 3.32Å; D127-N131 PolarHBondContact N-O 3.27Å; D127-N131 PolarHBondContact OD1-N 2.87Å; D127-N131 PolarHBondContact OD1-ND2 3.33Å; D127-N131 WeakPolarHBondContact OD2-CB 3.41Å; D127-N131 PolarHBondContact OD2-ND2 3.24Å; N131-L133 PolarHBondContact O-N 2.71Å
132L98.2Very high97.9Very high103 Ų10350.5 Ų50.554%0.53928%0.278SS..EExtended strand (participates in β ladder)trans-73.5120.9-179-171.969.3000111.3T124 G134 R135T124-L132 HydrophobicContact CG2-CD1 3.54Å; L132-G134 WeakPolarHBondContact CD1-O 3.37Å; L132-R135 HydrophobicContact CD1-CB 4.27Å; L132-R135 HydrophobicContact CD2-CB 4.38Å
133L98Very high97.9Very high46 Ų4649.5 Ų49.524%0.24127%0.274CS..EExtended strand (participates in β ladder)trans-97-35.5171.3-58.5178.7000111.7P19 T23 L125 D127 N131 T202P19-L133 HydrophobicContact CB-CD1 4.46Å; T23-L133 HydrophobicContact CG2-CD1 4.01Å; T23-L133 WeakPolarHBondContact OG1-CD1 3.37Å; L125-L133 HydrophobicContact CB-CB 4.3Å; L125-L133 HydrophobicContact CD2-CB 4.21Å; L125-L133 HydrophobicContact CG-CB 4.24Å; L125-L133 HydrophobicContact CG-CD1 4.43Å; L125-L133 WeakPolarHBondContact O-CA 3.41Å; L125-L133 WeakPolarHBondContact O-CB 3.48Å; L125-L133 PolarHBondContact O-N 2.98Å; D127-L133 HydrophobicContact CB-CD1 4.11Å; D127-L133 HydrophobicContact CB-CD2 4.24Å; D127-L133 HydrophobicContact CB-CG 4.25Å; N131-L133 PolarHBondContact O-N 2.71Å; L133-T202 WeakPolarHBondContact O-CG2 3.19Å
134G97.5Very high97.8Very high8 Ų852.8 Ų52.88%0.08230%0.302CS..EExtended strand (participates in β ladder)trans-160.7156.2-177.100000111.9T124 L125 L132 D200T124-G134 WeakPolarHBondContact CA-O 3.41Å; L125-G134 PolarHBondContact N-O 2.66Å; L125-G134 PolarHBondContact O-N 3.45Å; L132-G134 WeakPolarHBondContact CD1-O 3.37Å; G134-D200 WeakPolarHBondContact CA-OD2 3.37Å
135R98.5Very high97.8Very high155 Ų15554.6 Ų54.659%0.58532%0.315SS*.EExtended strand (participates in β ladder)trans-149.9128.3179-174.6169.462.3117.51.8111.7I122 I123 T124 L132 D200I122-R135 HydrophobicContact CG2-CG 3.81Å; I123-R135 WeakPolarHBondContact O-CA 3.46Å; T124-R135 HydrophobicContact CG2-CB 4.15Å; T124-R135 HydrophobicContact CG2-CG 3.82Å; L132-R135 HydrophobicContact CD1-CB 4.27Å; L132-R135 HydrophobicContact CD2-CB 4.38Å; R135-D200 PolarHBondContact N-OD2 3.49Å
136N98.5Very high97.7Very high51 Ų5154.6 Ų54.627%0.27332%0.316SS..EExtended strand (participates in β ladder)trans-134.9164.7170.2-152.8-32.7000110.3I123 L198 Q199I123-N136 PolarHBondContact N-O 3.47Å; I123-N136 PolarHBondContact O-N 2.88Å; I123-N136 VanDerWaalsContact O-O 3.08Å; N136-L198 HydrophobicContact CB-CB 4.41Å; N136-L198 HydrophobicContact CB-CD2 3.94Å; N136-Q199 PolarHBondContact ND2-O 3.28Å
137S98.4Very high97.7Very high55 Ų5555.2 Ų55.239%0.38533%0.327SS..EExtended strand (participates in β ladder)trans-153153.4-179.867.70000112.7T121T121-S137 CarbonylContact O-C 3.47Å; T121-S137 WeakPolarHBondContact O-CA 3.39Å; T121-S137 WeakPolarHBondContact O-CB 3.34Å
138F98.6Very high97.7Very high24 Ų2460.3 Ų60.311%0.10534%0.344CS..EExtended strand (participates in β ladder)trans-145.1148176.553.9-89.1000111M1 V11 L120 T121 I123 V140 L198M1-F138 HydrophobicContact CB-CD2 3.85Å; M1-F138 HydrophobicContact CB-CE2 4.1Å; M1-F138 HydrophobicContact CE-CD2 4.31Å; M1-F138 HydrophobicContact CE-CE2 3.61Å; M1-F138 HydrophobicContact CE-CZ 3.99Å; M1-F138 HydrophobicContact SD-CD2 4.46Å; M1-F138 HydrophobicContact SD-CE2 3.75Å; V11-F138 HydrophobicContact CG1-CE1 4.32Å; V11-F138 HydrophobicContact CG2-CE1 4.27Å; V11-F138 HydrophobicContact CG2-CZ 3.86Å; L120-F138 WeakPolarHBondContact CA-O 3.4Å; T121-F138 HydrophobicContact CG2-CE1 4.22Å; T121-F138 HydrophobicContact CG2-CE2 4.36Å; T121-F138 HydrophobicContact CG2-CZ 3.83Å; T121-F138 PolarHBondContact N-O 3.39Å; T121-F138 PolarHBondContact O-N 3.3Å; I123-F138 HydrophobicContact CD1-CE1 4.37Å; I123-F138 HydrophobicContact CG1-CE1 3.84Å; F138-V140 HydrophobicContact CD2-CG2 3.6Å; F138-V140 HydrophobicContact CE2-CG2 3.48Å; F138-V140 VanDerWaalsContact CE2-CG2 3.48Å; F138-L198 HydrophobicContact CD1-CD2 4.06Å; F138-L198 HydrophobicContact CE1-CD1 4.45Å
139E98.5Very high97.8Very high69 Ų6957 Ų5732%0.32232%0.319SS..EExtended strand (participates in β ladder)trans-72.3140173.9-179.3165.9-161.700111M1 K32 P118 I119 L120M1-E139 PolarHBondContact N-O 2.95Å; K32-E139 HydrophobicContact CD-CG 4.45Å; K32-E139 WeakPolarHBondContact CD-OE1 3.29Å; K32-E139 VanDerWaalsContact NZ-CD 3.31Å; K32-E139 IonicContact NZ-OE1 3.65Å; K32-E139 PolarHBondContact NZ-OE1 3.2Å; K32-E139 IonicContact NZ-OE2 2.9Å; K32-E139 PolarHBondContact NZ-OE2 3.43Å; P118-E139 WeakPolarHBondContact CB-OE1 3.18Å; I119-E139 WeakPolarHBondContact O-CA 3.16Å; L120-E139 HydrophobicContact CD2-CB 3.88Å
140V98.7Very high97.9Very high1 Ų155.8 Ų55.81%0.00630%0.3CS..EExtended strand (participates in β ladder)trans-122.5128.3178.8-175.20000110.8M1 Y104 I119 T121 F138 V142M1-V140 HydrophobicContact CB-CG2 4.34Å; M1-V140 WeakPolarHBondContact O-CA 3.25Å; M1-V140 HydrophobicContact SD-CG2 4.49Å; Y104-V140 HydrophobicContact CD1-CG1 3.94Å; Y104-V140 HydrophobicContact CD2-CG1 4.16Å; Y104-V140 HydrophobicContact CE1-CB 4.19Å; Y104-V140 HydrophobicContact CE1-CG1 3.79Å; Y104-V140 HydrophobicContact CE1-CG2 3.95Å; Y104-V140 HydrophobicContact CE2-CG1 4.03Å; Y104-V140 HydrophobicContact CE2-CG2 4.45Å; Y104-V140 HydrophobicContact CG-CG1 4.13Å; Y104-V140 WeakPolarHBondContact OH-CG2 3.46Å; I119-V140 HydrophobicContact CD1-CB 4.1Å; I119-V140 HydrophobicContact CG1-CB 4.11Å; I119-V140 WeakPolarHBondContact CG1-O 3.49Å; I119-V140 PolarHBondContact O-N 3.42Å; T121-V140 WeakPolarHBondContact OG1-CG2 3.47Å; F138-V140 HydrophobicContact CD2-CG2 3.6Å; F138-V140 HydrophobicContact CE2-CG2 3.48Å; F138-V140 VanDerWaalsContact CE2-CG2 3.48Å; V140-V142 HydrophobicContact CG1-CG2 3.97Å
141R98.6Very high98.2Very high95 Ų9561.5 Ų61.536%0.35831%0.307SS..EExtended strand (participates in β ladder)trans-118.5111.3167.5-174-173.4174.992.1-0.2110.3M1 F2 C3 C143 D149 E153M1-R141 PolarHBondContact O-N 3.45Å; F2-R141 WeakPolarHBondContact CA-O 3.3Å; F2-R141 HydrophobicContact CD1-CB 3.88Å; F2-R141 HydrophobicContact CD1-CG 4.23Å; F2-R141 HydrophobicContact CE1-CB 4.07Å; F2-R141 VanDerWaalsContact CE1-CD 3.41Å; F2-R141 HydrophobicContact CE1-CG 4.36Å; F2-R141 HydrophobicContact CG-CB 4.48Å; C3-R141 PolarHBondContact N-O 3.01Å; R141-C143 HydrophobicContact CG-CB 4.27Å; R141-D149 IonicContact CZ-OD2 3.3Å; R141-D149 IonicContact NE-OD2 2.66Å; R141-D149 PolarHBondContact NE-OD2 3Å; R141-D149 IonicContact NH2-OD2 3.64Å; R141-D149 PolarHBondContact NH2-OD2 3.26Å; R141-E153 VanDerWaalsContact CD-OE1 3.3Å; R141-E153 WeakPolarHBondContact CD-OE1 3.25Å; R141-E153 IonicContact CZ-OE1 3.82Å; R141-E153 IonicContact NE-OE1 3.96Å; R141-E153 IonicContact NH1-OE1 2.74Å; R141-E153 PolarHBondContact NH1-OE1 3.16Å
142V98.8Very high98.2Very high2 Ų260 Ų601%0.01230%0.302CS..EExtended strand (participates in β ladder)trans-91.8111.5175.2-166.10000108.5C3 L5 Y104 C106 S108 M114 V140C3-V142 CarbonylContact O-C 3.51Å; C3-V142 VanDerWaalsContact O-CA 3.3Å; C3-V142 WeakPolarHBondContact O-CA 3.39Å; L5-V142 HydrophobicContact CB-CG1 4.5Å; Y104-V142 VanDerWaalsContact CB-CG2 3.45Å; Y104-V142 HydrophobicContact CD1-CG2 4.28Å; Y104-V142 HydrophobicContact CG-CG2 3.93Å; C106-V142 VanDerWaalsContact O-CB 3.29Å; C106-V142 WeakPolarHBondContact O-CB 3.48Å; C106-V142 VanDerWaalsContact O-CG1 3.32Å; C106-V142 WeakPolarHBondContact O-CG1 3.48Å; C106-V142 WeakPolarHBondContact O-CG2 3.38Å; S108-V142 PolarHBondContact N-O 2.96Å; S108-V142 PolarHBondContact OG-N 2.95Å; S108-V142 PolarHBondContact OG-O 3.08Å; M114-V142 HydrophobicContact CE-CG2 4.35Å; V140-V142 HydrophobicContact CG1-CG2 3.97Å
143C98.4Very high98.1Very high10 Ų1058.2 Ų58.27%0.06829%0.291CS..  trans-148161.8-169.959.60000112.5C3 Q4 R141 C145C3-C143 PolarHBondContact O-N 2.71Å; Q4-C143 WeakPolarHBondContact CA-O 3.22Å; R141-C143 HydrophobicContact CG-CB 4.27Å; C143-C145 VanDerWaalsContact C-N 3.35Å; C143-C145 PolarHBondContact O-N 3.48Å
144A98Very high98.1Very high75 Ų7560.7 Ų60.762%0.6230%0.301SS*.SBendtrans-68.9-31.5-177.300000113.3Q4Q4-A144 PolarHBondContact NE2-O 2.88Å
145C98Very high98Very high55 Ų5565 Ų6537%0.37232%0.319SS..  trans-12969.3-175.2-56.80000112.1C143 G147 R148 D149C143-C145 VanDerWaalsContact C-N 3.35Å; C143-C145 PolarHBondContact O-N 3.48Å; C145-G147 VanDerWaalsContact C-N 3.35Å; C145-G147 PolarHBondContact O-N 3.47Å; C145-R148 HydrophobicContact CB-CB 4.02Å; C145-R148 PolarHBondContact O-N 2.95Å; C145-D149 PolarHBondContact O-N 2.82Å
146P97.8Very high97.9Very high23 Ų2361.2 Ų61.215%0.14931%0.31CS..Hα-helixtrans-50.8-47.2-174.4-32.239000114.8F2 C3 Q4 R148 D149 R150F2-P146 HydrophobicContact CB-CB 3.75Å; C3-P146 VanDerWaalsContact C-CG 3.44Å; Q4-P146 HydrophobicContact CG-CG 3.65Å; P146-R148 VanDerWaalsContact C-N 3.3Å; P146-R148 PolarHBondContact O-N 3Å; P146-D149 PolarHBondContact O-N 3.07Å; P146-R150 VanDerWaalsContact O-CB 3.3Å; P146-R150 WeakPolarHBondContact O-CB 3.38Å; P146-R150 PolarHBondContact O-N 2.97Å
147G97.8Very high97.7Very high30 Ų3064.7 Ų64.731%0.30933%0.328SS..Hα-helixtrans-65.9-30.1-178.700000113.8C145 R151C145-G147 VanDerWaalsContact C-N 3.35Å; C145-G147 PolarHBondContact O-N 3.47Å; G147-R151 WeakPolarHBondContact O-CG 3.46Å; G147-R151 PolarHBondContact O-N 2.71Å; G147-R151 PolarHBondContact O-NE 2.64Å
148R98.2Very high97.5Very high141 Ų14171.7 Ų71.753%0.53235%0.346SS..Hα-helixtrans-74.7-52.1173.8-177.2-166.465.4-173.1-3.1110C145 P146 R150 R151 T152C145-R148 HydrophobicContact CB-CB 4.02Å; C145-R148 PolarHBondContact O-N 2.95Å; P146-R148 VanDerWaalsContact C-N 3.3Å; P146-R148 PolarHBondContact O-N 3Å; R148-R150 VanDerWaalsContact C-N 3.29Å; R148-R150 PolarHBondContact O-N 2.92Å; R148-R151 PolarHBondContact O-N 2.95Å; R148-T152 PolarHBondContact O-N 2.9Å; R148-T152 PolarHBondContact O-OG1 3.22Å
149D97.9Very high97.3Very high18 Ų1876.4 Ų76.410%0.09637%0.367CS..Hα-helixtrans-60.5-40.4-176.2-7727.4000110.8F2 R141 C145 P146 T152 E153F2-D149 HydrophobicContact CD1-CB 4.02Å; F2-D149 HydrophobicContact CE1-CB 4.15Å; R141-D149 IonicContact CZ-OD2 3.3Å; R141-D149 IonicContact NE-OD2 2.66Å; R141-D149 PolarHBondContact NE-OD2 3Å; R141-D149 IonicContact NH2-OD2 3.64Å; R141-D149 PolarHBondContact NH2-OD2 3.26Å; C145-D149 PolarHBondContact O-N 2.82Å; P146-D149 PolarHBondContact O-N 3.07Å; D149-T152 PolarHBondContact O-N 3.06Å; D149-E153 WeakPolarHBondContact O-CG 3.3Å; D149-E153 PolarHBondContact O-N 3.22Å
150R98Very high96.6Very high72 Ų7281.8 Ų81.827%0.27239%0.389SS..Hα-helixtrans-58.9-52.5172.5-178.3174.661.7157.1-9.2112.7F2 P146 R148 T152 E153 E154 E194F2-R150 HydrophobicContact CB-CB 4.46Å; F2-R150 HydrophobicContact CD1-CB 4.13Å; F2-R150 HydrophobicContact CD2-CB 3.63Å; F2-R150 HydrophobicContact CD2-CG 3.83Å; F2-R150 HydrophobicContact CE1-CB 4.28Å; F2-R150 HydrophobicContact CE2-CB 3.81Å; F2-R150 HydrophobicContact CE2-CG 3.79Å; F2-R150 HydrophobicContact CG-CB 3.83Å; F2-R150 HydrophobicContact CZ-CB 4.15Å; F2-R150 HydrophobicContact CZ-CG 4.44Å; P146-R150 VanDerWaalsContact O-CB 3.3Å; P146-R150 WeakPolarHBondContact O-CB 3.38Å; P146-R150 PolarHBondContact O-N 2.97Å; R148-R150 VanDerWaalsContact C-N 3.29Å; R148-R150 PolarHBondContact O-N 2.92Å; R150-T152 PolarHBondContact O-N 2.61Å; R150-E153 PolarHBondContact O-N 3.37Å; R150-E153 VanDerWaalsContact O-N 3.15Å; R150-E154 WeakPolarHBondContact CD-OE1 3.31Å; R150-E154 HydrophobicContact CG-CG 4.27Å; R150-E154 VanDerWaalsContact CG-OE1 3.25Å; R150-E154 WeakPolarHBondContact CG-OE1 3.49Å; R150-E154 WeakPolarHBondContact O-CG 3.3Å; R150-E154 PolarHBondContact O-N 2.95Å; R150-E194 IonicContact CZ-OE1 3.37Å; R150-E194 IonicContact CZ-OE2 2.64Å; R150-E194 IonicContact NH1-OE1 2.95Å; R150-E194 PolarHBondContact NH1-OE1 3.02Å; R150-E194 IonicContact NH1-OE2 2.61Å; R150-E194 PolarHBondContact NH1-OE2 3.02Å; R150-E194 VanDerWaalsContact NH2-CD 3.26Å; R150-E194 IonicContact NH2-OE1 3.37Å; R150-E194 PolarHBondContact NH2-OE1 3.26Å; R150-E194 IonicContact NH2-OE2 3.09Å; R150-E194 PolarHBondContact NH2-OE2 3.31Å; R150-E194 VanDerWaalsContact NH2-OE2 3.07Å
151R98.1Very high95.2Very high164 Ų16484.8 Ų84.862%0.61942%0.42SS*.Hα-helixtrans-56.3-42.8178.5-77.9-172.4-64.5-109.43.1111.4G147 R148 E155G147-R151 WeakPolarHBondContact O-CG 3.46Å; G147-R151 PolarHBondContact O-N 2.71Å; G147-R151 PolarHBondContact O-NE 2.64Å; R148-R151 PolarHBondContact O-N 2.95Å; R151-E155 VanDerWaalsContact O-CB 3.26Å; R151-E155 WeakPolarHBondContact O-CB 3.33Å; R151-E155 PolarHBondContact O-N 3.36Å
152T97.8Very high93.3Very high64 Ų6487.3 Ų87.339%0.39344%0.436SS..Hα-helixtrans-64.5-44.4177.5-60.60000112R148 D149 R150 E155 N156R148-T152 PolarHBondContact O-N 2.9Å; R148-T152 PolarHBondContact O-OG1 3.22Å; D149-T152 PolarHBondContact O-N 3.06Å; R150-T152 PolarHBondContact O-N 2.61Å; T152-E155 PolarHBondContact O-N 3Å; T152-N156 WeakPolarHBondContact O-CB 3.26Å; T152-N156 PolarHBondContact O-N 3.03Å; T152-N156 PolarHBondContact O-ND2 2.91Å; T152-N156 VanDerWaalsContact O-ND2 3.12Å
153E96.4Very high91Very high65 Ų6592.5 Ų92.530%0.30447%0.47SS..Hα-helixtrans-67.2-41.6178.8-73.8-170.8-156.600112.3F2 R141 D149 R150 N156 L157F2-E153 HydrophobicContact CE1-CG 4.28Å; F2-E153 HydrophobicContact CZ-CB 4.02Å; F2-E153 HydrophobicContact CZ-CG 4.21Å; F2-E153 VanDerWaalsContact CZ-OE2 3.31Å; F2-E153 WeakPolarHBondContact CZ-OE2 3.35Å; R141-E153 VanDerWaalsContact CD-OE1 3.3Å; R141-E153 WeakPolarHBondContact CD-OE1 3.25Å; R141-E153 IonicContact CZ-OE1 3.82Å; R141-E153 IonicContact NE-OE1 3.96Å; R141-E153 IonicContact NH1-OE1 2.74Å; R141-E153 PolarHBondContact NH1-OE1 3.16Å; D149-E153 WeakPolarHBondContact O-CG 3.3Å; D149-E153 PolarHBondContact O-N 3.22Å; R150-E153 PolarHBondContact O-N 3.37Å; R150-E153 VanDerWaalsContact O-N 3.15Å; E153-N156 PolarHBondContact O-N 3.34Å; E153-L157 WeakPolarHBondContact O-CG 3.4Å; E153-L157 PolarHBondContact O-N 2.86Å
154E97Very high88.6Confident98 Ų98100.6 Ų100.646%0.45851%0.506SS..Hα-helixtrans-64.1-42.1174.6-71.6173.3-177.300112.3R150 L157 R158R150-E154 WeakPolarHBondContact CD-OE1 3.31Å; R150-E154 HydrophobicContact CG-CG 4.27Å; R150-E154 VanDerWaalsContact CG-OE1 3.25Å; R150-E154 WeakPolarHBondContact CG-OE1 3.49Å; R150-E154 WeakPolarHBondContact O-CG 3.3Å; R150-E154 PolarHBondContact O-N 2.95Å; E154-L157 PolarHBondContact O-N 3.36Å; E154-R158 WeakPolarHBondContact O-CG 3.44Å; E154-R158 PolarHBondContact O-N 3.15Å
155E97Very high86.3Confident97 Ų97105.3 Ų105.345%0.45352%0.515SS..Hα-helixtrans-63.3-41.6174.9-173.1-175.7163.400111.6R151 T152 L157 R158 K159R151-E155 VanDerWaalsContact O-CB 3.26Å; R151-E155 WeakPolarHBondContact O-CB 3.33Å; R151-E155 PolarHBondContact O-N 3.36Å; T152-E155 PolarHBondContact O-N 3Å; E155-L157 VanDerWaalsContact C-N 3.31Å; E155-L157 PolarHBondContact O-N 3.18Å; E155-R158 PolarHBondContact O-N 3.37Å; E155-K159 HydrophobicContact CG-CD 4.49Å; E155-K159 WeakPolarHBondContact O-CG 3.33Å; E155-K159 PolarHBondContact O-N 3.33Å; E155-K159 WeakPolarHBondContact OE1-CE 3.35Å; E155-K159 IonicContact OE1-NZ 3.04Å; E155-K159 PolarHBondContact OE1-NZ 3.24Å
156N95.8Very high83.5Confident76 Ų76111.4 Ų111.441%0.40654%0.538SS..Hα-helixtrans-64-35.9176-72.7-25.5000112.3T152 E153 K160T152-N156 WeakPolarHBondContact O-CB 3.26Å; T152-N156 PolarHBondContact O-N 3.03Å; T152-N156 PolarHBondContact O-ND2 2.91Å; T152-N156 VanDerWaalsContact O-ND2 3.12Å; E153-N156 PolarHBondContact O-N 3.34Å; N156-K160 WeakPolarHBondContact O-CG 3.38Å; N156-K160 PolarHBondContact O-N 3.3Å
157L94.2Very high81Confident125 Ų125117.9 Ų117.965%0.65457%0.571SS**Hα-helixtrans-66-43.3173.9-72.9168.6000111.3E153 E154 E155 K159 K160 G161E153-L157 WeakPolarHBondContact O-CG 3.4Å; E153-L157 PolarHBondContact O-N 2.86Å; E154-L157 PolarHBondContact O-N 3.36Å; E155-L157 VanDerWaalsContact C-N 3.31Å; E155-L157 PolarHBondContact O-N 3.18Å; L157-K159 PolarHBondContact O-N 2.96Å; L157-K160 PolarHBondContact O-N 3.31Å; L157-G161 PolarHBondContact O-N 2.89Å
158R93.8Very high78.3Confident201 Ų201121.7 Ų121.776%0.75859%0.59SS**Hα-helixtrans-60.5-46.1176.8-70.3175.670.5-175.52112.1E154 E155 K160 G161E154-R158 WeakPolarHBondContact O-CG 3.44Å; E154-R158 PolarHBondContact O-N 3.15Å; E155-R158 PolarHBondContact O-N 3.37Å; R158-K160 VanDerWaalsContact C-N 3.27Å; R158-K160 PolarHBondContact O-N 3.41Å; R158-G161 PolarHBondContact O-N 3.34Å; R158-G161 VanDerWaalsContact O-N 3.15Å
159K93.8Very high75.4Confident123 Ų123121.5 Ų121.554%0.53561%0.607SS.*Hα-helixtrans-64-28.9178.9-71.4176.8-176.5169.50113.8E155 L157E155-K159 HydrophobicContact CG-CD 4.49Å; E155-K159 WeakPolarHBondContact O-CG 3.33Å; E155-K159 PolarHBondContact O-N 3.33Å; E155-K159 WeakPolarHBondContact OE1-CE 3.35Å; E155-K159 IonicContact OE1-NZ 3.04Å; E155-K159 PolarHBondContact OE1-NZ 3.24Å; L157-K159 PolarHBondContact O-N 2.96Å
160K85.5Confident72.6Confident183 Ų183123.8 Ų123.880%0.79664%0.635SS**Hα-helixtrans-78.8-19.6177-75.7178.6178.9-174.40113.5N156 L157 R158N156-K160 WeakPolarHBondContact O-CG 3.38Å; N156-K160 PolarHBondContact O-N 3.3Å; L157-K160 PolarHBondContact O-N 3.31Å; R158-K160 VanDerWaalsContact C-N 3.27Å; R158-K160 PolarHBondContact O-N 3.41Å
161G68.5Low70Confident64 Ų64126.2 Ų126.266%0.6666%0.663SS**Hα-helixtrans-89.1-11.9-179.700000114.5L157 R158L157-G161 PolarHBondContact O-N 2.89Å; R158-G161 PolarHBondContact O-N 3.34Å; R158-G161 VanDerWaalsContact O-N 3.15Å
162E58.6Low67.1Low147 Ų147124.9 Ų124.969%0.68767%0.673SS**SBendtrans-80.4123.1175.3-71.4-175.4143.400109.7H164E162-H164 PolarHBondContact O-N 2.96Å
163P50.2Low64.5Low112 Ų112130 Ų13073%0.72769%0.69SS**  trans-61.6124.3173.425-30000107.7H165P163-H165 PolarHBondContact O-N 3.16Å
164H49.3Very low61.6Low180 Ų180137.5 Ų137.583%0.83372%0.715SS**  trans-54.3102.2176.5-127.6-93.3000108.2E162 E166E162-H164 PolarHBondContact O-N 2.96Å; H164-E166 PolarHBondContact O-N 3.12Å; H164-E166 VanDerWaalsContact O-N 3.08Å
165H48.9Very low58.6Low173 Ų173137.2 Ų137.280%0.80173%0.73SS**  trans-64.2110.4160.8-104.4-88.3000105.7P163 L167P163-H165 PolarHBondContact O-N 3.16Å; H165-L167 PolarHBondContact O-N 2.96Å
166E38.1Very low56.1Low183 Ų183140 Ų14086%0.85575%0.747SS**  trans-52110.9171.7-71.5-172.5144.800108.9H164H164-E166 PolarHBondContact O-N 3.12Å; H164-E166 VanDerWaalsContact O-N 3.08Å
167L45.3Very low53.5Low160 Ų160142.1 Ų142.184%0.83877%0.765SS**  trans-77.2133.9162.3-77162.7000107.4H165H165-L167 PolarHBondContact O-N 2.96Å
168P41.2Very low50.5Low109 Ų109142.9 Ų142.971%0.70877%0.769SS**  trans-66.1149.5-172.325.6-32.5000111.6G170P168-G170 PolarHBondContact O-N 3.5Å; P168-G170 VanDerWaalsContact O-N 3.09Å
169P38.3Very low47.8Very low138 Ų138141 Ų14190%0.89678%0.775SS**SBendtrans-75.4103.5-177.230.3-31.3000109.5
170G39.9Very low44.8Very low66 Ų66141.9 Ų141.968%0.6879%0.79SS**  trans170.287.617200000115.2P168P168-G170 PolarHBondContact O-N 3.5Å; P168-G170 VanDerWaalsContact O-N 3.09Å
171S41.6Very low42.5Very low123 Ų123138 Ų13886%0.8679%0.786SS**  178126.9123.4430000112
172T37.4Very low40.9Very low135 Ų135140.1 Ų140.183%0.82879%0.791SS**  trans-72.9152.8176.1-34.90000111
173K43.1Very low40Very low171 Ų171138.3 Ų138.374%0.74380%0.795SS**  trans83.8107157.6-88.3176.9173.2174.10120.3
174R36.6Very low39.2Very low223 Ų223138.9 Ų138.984%0.84280%0.799SS**  80.9130.1110.4-158.2-176.6-81.2-164-4.3119.5
175A32.9Very low38.9Very low92 Ų92139.2 Ų139.276%0.7680%0.8SS**  trans101.6126.7149.400000119
176L44.8Very low38.3Very low156 Ų156137 Ų13782%0.81780%0.801SS**  trans-49158.9168.2-92.673.6000112.9
177P40.7Very low38Very low120 Ų120137.8 Ų137.878%0.77980%0.802SS**  trans-123.9127.6133.125.3-9.2000112.4
178N32.9Very low37.1Very low141 Ų141140.3 Ų140.375%0.75481%0.806SS**  trans-52.6137.3149.8-95.5-9.4000108.5
179N35.2Very low36.8Very low163 Ų163144.2 Ų144.287%0.87281%0.812SS**  trans-159.6125.3141.3-97.6-13.3000111.9
180T32.4Very low36.4Very low140 Ų140143.6 Ų143.686%0.85981%0.808SS**  trans-79.6121.8168.1-35.70000108.3
181S37.3Very low36.2Very low102 Ų102148.9 Ų148.971%0.71382%0.82SS**  trans-174.2121.6147.648.10000113.1
182S33.5Very low35.8Very low109 Ų109150 Ų15076%0.76282%0.816SS**  trans36.2116142.256.60000120.9
183S40.4Very low35.9Very low109 Ų109145.5 Ų145.576%0.76280%0.796SS**  trans-29.1155.6157.650.10000118.5
184P34.3Very low35.9Very low124 Ų124142.2 Ų142.281%0.80578%0.784SS**  -127.9134.9123.918.50.4000113
185Q41.1Very low36.3Very low187 Ų187137.9 Ų137.987%0.87477%0.768SS**  trans-63.7145.7169-67.8-172.4-25.100111.7
186P36.9Very low37Very low125 Ų125136.4 Ų136.481%0.81275%0.745SS**  trans-105.8136.5152.220.6-3.4000111.6
187K31.2Very low37Very low200 Ų200132.7 Ų132.787%0.8773%0.729SS**PPolyproline II helixtrans-49.1136.7-179-64.5167176.5177.60112.7K189K187-K189 PolarHBondContact O-N 2.94Å
188K28.3Very low37.3Very low214 Ų214127.7 Ų127.793%0.9370%0.695SS**PPolyproline II helixtrans-57.9116.3166-70.1178.9177.6177.40108.9
189K34.4Very low37.6Very low191 Ų191127.9 Ų127.983%0.8369%0.692SS**PPolyproline II helixtrans-86.2147.7156.3-75.6-172.7176-174.60108.5K187K187-K189 PolarHBondContact O-N 2.94Å
190P29.5Very low38.4Very low124 Ų124122.7 Ų122.781%0.80566%0.664SS**PPolyproline II helixtrans-60.4140.8177.2-14.929.1000110D192P190-D192 PolarHBondContact O-N 3.27Å
191L35.3Very low38.5Very low178 Ų178124.1 Ų124.193%0.93266%0.661SS**  trans-65.497170.6-82.4141.6000108
192D32.7Very low38.3Very low145 Ų145120.7 Ų120.778%0.77564%0.636SS**  trans-73.2123.7158.6-138.9-7.9000106.3P190 E194P190-D192 PolarHBondContact O-N 3.27Å; D192-E194 PolarHBondContact O-N 3.5Å
193G39.7Very low38.1Very low41 Ų41120.3 Ų120.342%0.42363%0.633SS.*  trans-58.9114.3-176.500000109.4Y195G193-Y195 WeakPolarHBondContact O-CD2 3.46Å; G193-Y195 VanDerWaalsContact O-CE2 3.24Å; G193-Y195 WeakPolarHBondContact O-CE2 3.41Å; G193-Y195 PolarHBondContact O-N 3.29Å
194E44.3Very low37.7Very low103 Ų103121.1 Ų121.148%0.48162%0.623SS.*  trans-7495.3176.7-71-168.9151.700109.2R150 D192R150-E194 IonicContact CZ-OE1 3.37Å; R150-E194 IonicContact CZ-OE2 2.64Å; R150-E194 IonicContact NH1-OE1 2.95Å; R150-E194 PolarHBondContact NH1-OE1 3.02Å; R150-E194 IonicContact NH1-OE2 2.61Å; R150-E194 PolarHBondContact NH1-OE2 3.02Å; R150-E194 VanDerWaalsContact NH2-CD 3.26Å; R150-E194 IonicContact NH2-OE1 3.37Å; R150-E194 PolarHBondContact NH2-OE1 3.26Å; R150-E194 IonicContact NH2-OE2 3.09Å; R150-E194 PolarHBondContact NH2-OE2 3.31Å; R150-E194 VanDerWaalsContact NH2-OE2 3.07Å; D192-E194 PolarHBondContact O-N 3.5Å
195Y44.2Very low37.4Very low132 Ų132122.6 Ų122.652%0.51862%0.619SS.*  trans-74.7135.6169.6-57.3-83000109.6P10 Q12 G193P10-Y195 HydrophobicContact CB-CD1 4.17Å; P10-Y195 HydrophobicContact CB-CE1 4.47Å; P10-Y195 HydrophobicContact CG-CD1 4.28Å; Q12-Y195 HydrophobicContact CG-CD1 4.21Å; Q12-Y195 HydrophobicContact CG-CG 4.48Å; G193-Y195 WeakPolarHBondContact O-CD2 3.46Å; G193-Y195 VanDerWaalsContact O-CE2 3.24Å; G193-Y195 WeakPolarHBondContact O-CE2 3.41Å; G193-Y195 PolarHBondContact O-N 3.29Å
196F48.6Very low36.7Very low61 Ų61123 Ų12327%0.26862%0.618SS.*EExtended strand (participates in β ladder)trans-93.2110.2168-72.2-90.8000108.3M1 Q12M1-F196 HydrophobicContact CB-CD1 4.27Å; M1-F196 HydrophobicContact CB-CD2 4.35Å; M1-F196 HydrophobicContact CB-CE1 3.82Å; M1-F196 HydrophobicContact CB-CE2 3.89Å; M1-F196 HydrophobicContact CB-CZ 3.63Å; M1-F196 HydrophobicContact CE-CB 4.14Å; M1-F196 HydrophobicContact CE-CD2 3.28Å; M1-F196 HydrophobicContact CE-CE2 3.8Å; M1-F196 HydrophobicContact CE-CG 3.7Å; M1-F196 HydrophobicContact CG-CD2 4.12Å; M1-F196 HydrophobicContact CG-CE1 4.46Å; M1-F196 HydrophobicContact CG-CE2 3.61Å; M1-F196 HydrophobicContact CG-CZ 3.83Å; Q12-F196 PolarHBondContact N-O 2.93Å
197T43.9Very low36.3Very low78 Ų78124.7 Ų124.748%0.47962%0.615SS.*EExtended strand (participates in β ladder)trans-83.7121179.3-52.30000110Q12 W14 Q199Q12-T197 PolarHBondContact OE1-OG1 3.45Å; W14-T197 VanDerWaalsContact CD1-CG2 3.5Å; W14-T197 HydrophobicContact CD2-CG2 4.38Å; W14-T197 HydrophobicContact CG-CG2 4.15Å; W14-T197 VanDerWaalsContact NE1-CG2 3.32Å; T197-Q199 HydrophobicContact CG2-CG 4.23Å
198L46.7Very low36Very low15 Ų15122.1 Ų122.18%0.07961%0.611CS.*EExtended strand (participates in β ladder)trans-103.9110.5166.3-58174.4000108.1V11 Q12 L13 W14 I123 N136 F138V11-L198 HydrophobicContact CG1-CD1 3.49Å; V11-L198 VanDerWaalsContact CG1-CD1 3.49Å; V11-L198 HydrophobicContact CG1-CG 4.05Å; Q12-L198 WeakPolarHBondContact O-CB 3.21Å; Q12-L198 PolarHBondContact O-N 3.03Å; L13-L198 HydrophobicContact CD2-CD1 4.41Å; W14-L198 VanDerWaalsContact CB-O 3.32Å; W14-L198 WeakPolarHBondContact CB-O 3.45Å; W14-L198 PolarHBondContact N-O 2.83Å; W14-L198 VanDerWaalsContact N-O 3.15Å; I123-L198 HydrophobicContact CB-CD1 3.94Å; I123-L198 HydrophobicContact CG1-CD1 3.76Å; I123-L198 HydrophobicContact CG2-CD1 4.13Å; N136-L198 HydrophobicContact CB-CB 4.41Å; N136-L198 HydrophobicContact CB-CD2 3.94Å; F138-L198 HydrophobicContact CD1-CD2 4.06Å; F138-L198 HydrophobicContact CE1-CD1 4.45Å
199Q39.5Very low36.2Very low145 Ų145121.9 Ų121.968%0.67863%0.634SS**EExtended strand (participates in β ladder)trans-94.3128.4165-76.3-179.6-28.300108.1W14 N136 T197W14-Q199 HydrophobicContact CB-CG 4.3Å; N136-Q199 PolarHBondContact ND2-O 3.28Å; T197-Q199 HydrophobicContact CG2-CG 4.23Å
200D51.4Low36.3Very low53 Ų53118.4 Ų118.428%0.28362%0.624SS.*EExtended strand (participates in β ladder)trans-126.3118.6170.4-146.7-7.9000108.5G134 R135 T202G134-D200 WeakPolarHBondContact CA-OD2 3.37Å; R135-D200 PolarHBondContact N-OD2 3.49Å; D200-T202 PolarHBondContact O-N 3.15Å; D200-T202 VanDerWaalsContact O-N 3.13Å
201Q35.8Very low36.7Very low170 Ų170118.1 Ų118.179%0.79461%0.614SS**  trans-83.284.1177.7-76.6-176.7-18.800108.7S203Q201-S203 PolarHBondContact O-N 3.32Å
202T33.3Very low36.8Very low31 Ų31114.8 Ų114.819%0.1960%0.597CS.*  trans-74.493.1168.236.20000110.1L133 D200 F204L133-T202 WeakPolarHBondContact O-CG2 3.19Å; D200-T202 PolarHBondContact O-N 3.15Å; D200-T202 VanDerWaalsContact O-N 3.13Å; T202-F204 PolarHBondContact O-N 2.66Å
203S29.4Very low37Very low101 Ų101113 Ų11371%0.70659%0.586SS**  trans-70.496.7159.4152.90000108.6Q201 Q205Q201-S203 PolarHBondContact O-N 3.32Å; S203-Q205 PolarHBondContact O-N 3.18Å
204F32.2Very low36.8Very low126 Ų126117.5 Ų117.555%0.55360%0.596SS**  trans-66.499.6163.1-94.4-88.6000108.7T202 K206T202-F204 PolarHBondContact O-N 2.66Å; F204-K206 PolarHBondContact O-N 2.84Å; F204-K206 VanDerWaalsContact O-N 3.1Å
205Q26.9Very low36.3Very low154 Ų154118.5 Ų118.572%0.7260%0.604SS**  trans-70.2103.9160.5-92.4-165.7-27.500108S203 E207S203-Q205 PolarHBondContact O-N 3.18Å; Q205-E207 PolarHBondContact O-N 3.08Å
206K25.8Very low35.8Very low195 Ų195117.5 Ų117.585%0.84861%0.61SS**  trans-73.584.5162-140.4-178.8-169.61790106.8F204 N208F204-K206 PolarHBondContact O-N 2.84Å; F204-K206 VanDerWaalsContact O-N 3.1Å; K206-N208 PolarHBondContact O-N 3.01Å
207E30.1Very low34.8Very low162 Ų162121.8 Ų121.876%0.75764%0.636SS**  trans-77.7108.2163.6-74.1-164.6152.500108Q205 C209Q205-E207 PolarHBondContact O-N 3.08Å; E207-C209 PolarHBondContact O-N 3.09Å
208N24Very low34Very low145 Ų145125.5 Ų125.578%0.77565%0.65SS**  trans-64.2117165.8-80.8-17.8000109.4K206K206-N208 PolarHBondContact O-N 3.01Å
209C33.6Very low32.9Very low209 Ų209135.5 Ų135.5100%1.41270%0.702SS**  trans-156.80138.7-95.70000109.2E207E207-C209 PolarHBondContact O-N 3.09Å

Retrieved 209 of 209 residues in 52.4 ms (Link to these results)