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Isoform 7 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 P04637-7 (canonical: P04637), Species HUMAN (Homo sapiens, Human), Gene TP53, Length 261 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
1M95.9Very high96.8Very high69 Ų6956.6 Ų56.634%0.3431%0.31SS..  0128.70-174.3172.379.300109.8C9 Y104 F138 E139 V140 R141M1-C9 HydrophobicContact CE-CB 4.09Å; M1-C9 HydrophobicContact SD-CB 4.05Å; M1-Y104 HydrophobicContact CE-CD2 4.14Å; M1-Y104 HydrophobicContact CE-CE2 3.32Å; M1-F138 HydrophobicContact CB-CD2 3.95Å; M1-F138 HydrophobicContact CB-CE2 4.19Å; M1-F138 HydrophobicContact CE-CE2 3.67Å; M1-F138 HydrophobicContact CE-CZ 4.45Å; M1-F138 HydrophobicContact SD-CE2 3.92Å; M1-E139 PolarHBondContact N-O 2.9Å; M1-V140 HydrophobicContact CB-CG2 4.43Å; M1-V140 HydrophobicContact CE-CB 4.49Å; M1-V140 HydrophobicContact CE-CG1 3.84Å; M1-V140 HydrophobicContact CE-CG2 3.83Å; M1-V140 WeakPolarHBondContact O-CA 3.45Å; M1-R141 PolarHBondContact O-N 3.45Å
2F98Very high96.8Very high49 Ų4961.4 Ų61.422%0.21533%0.328CS..EExtended strand (participates in β ladder)trans-113.3126172.2-63.9-104.2000108.2R141 P146 D149 R150 E153F2-R141 WeakPolarHBondContact CA-O 3.19Å; F2-R141 HydrophobicContact CD1-CB 3.93Å; F2-R141 HydrophobicContact CD1-CG 4.14Å; F2-R141 HydrophobicContact CE1-CB 4.14Å; F2-R141 HydrophobicContact CE1-CG 4.29Å; F2-P146 HydrophobicContact CB-CB 3.75Å; F2-D149 HydrophobicContact CD1-CB 4.01Å; F2-D149 HydrophobicContact CE1-CB 4.09Å; F2-R150 HydrophobicContact CD1-CB 4.35Å; F2-R150 HydrophobicContact CD2-CB 3.65Å; F2-R150 HydrophobicContact CD2-CG 3.87Å; F2-R150 HydrophobicContact CE1-CB 4.46Å; F2-R150 HydrophobicContact CE2-CB 3.83Å; F2-R150 HydrophobicContact CE2-CG 3.86Å; F2-R150 HydrophobicContact CG-CB 3.96Å; F2-R150 HydrophobicContact CZ-CB 4.24Å; F2-E153 HydrophobicContact CE1-CG 4.27Å; F2-E153 WeakPolarHBondContact CE1-OE1 3.39Å; F2-E153 HydrophobicContact CZ-CB 3.99Å; F2-E153 VanDerWaalsContact CZ-CD 3.44Å; F2-E153 HydrophobicContact CZ-CG 4.07Å; F2-E153 WeakPolarHBondContact CZ-OE2 3.36Å
3C98Very high96.8Very high9 Ų958.4 Ų58.46%0.06131%0.312CS..EExtended strand (participates in β ladder)trans-141.3165.3-177.258.20000111.4C9 R141 V142 C143C3-C9 WeakPolarHBondContact CB-SG 3.36Å; C3-R141 PolarHBondContact N-O 3.46Å; C3-R141 VanDerWaalsContact N-O 3.1Å; C3-V142 CarbonylContact O-C 3.54Å; C3-V142 WeakPolarHBondContact O-CA 3.46Å; C3-C143 PolarHBondContact O-N 3.29Å
4Q97.9Very high96.8Very high86 Ų8665.1 Ų65.140%0.40233%0.331SS..  trans-92.2158.4173-70.1-178.1-46.800110.8A6 K7 C143 A144 P146Q4-A6 PolarHBondContact O-N 2.99Å; Q4-K7 HydrophobicContact CB-CB 4.15Å; Q4-K7 HydrophobicContact CB-CG 3.68Å; Q4-K7 PolarHBondContact O-N 3.43Å; Q4-C143 WeakPolarHBondContact CA-O 3.34Å; Q4-A144 PolarHBondContact NE2-O 3.1Å; Q4-P146 HydrophobicContact CG-CG 3.7Å
5L96.2Very high96.6Very high57 Ų5764 Ų6430%0.29833%0.329SS..THydrogen-bonded Turntrans-56.1131.9173.7-178.469.1000110.9K7 C106 V142L5-K7 PolarHBondContact O-N 3.06Å; L5-K7 VanDerWaalsContact O-N 3.1Å; L5-C106 VanDerWaalsContact CD1-CA 3.41Å; L5-V142 HydrophobicContact CB-CG1 4.4Å
6A94.4Very high96.4Very high49 Ų4971.3 Ų71.341%0.40537%0.369SS..THydrogen-bonded Turntrans51.832.3175.600000114Q4 Y104 M105Q4-A6 PolarHBondContact O-N 2.99Å; A6-Y104 PolarHBondContact N-O 3.12Å; A6-M105 HydrophobicContact CB-CE 3.94Å; A6-M105 HydrophobicContact CB-SD 3.85Å
7K96.3Very high96.2Very high120 Ų12072.6 Ų72.652%0.52239%0.386SS..  trans-109.8135.9170.7-66.5-57.8-174-179.10110.2Q4 L5 C9 N103Q4-K7 HydrophobicContact CB-CB 4.15Å; Q4-K7 HydrophobicContact CB-CG 3.68Å; Q4-K7 PolarHBondContact O-N 3.43Å; L5-K7 PolarHBondContact O-N 3.06Å; L5-K7 VanDerWaalsContact O-N 3.1Å; K7-C9 PolarHBondContact O-N 3.27Å; K7-C9 PolarHBondContact O-SG 3.03Å; K7-N103 PolarHBondContact O-OD1 3.18Å
8T96.7Very high96Very high63 Ų6374.2 Ų74.239%0.38740%0.398SS..  trans-61.4123.3-176.9-390000111.5E66 H101 N103T8-E66 WeakPolarHBondContact CG2-OE2 3.32Å; T8-E66 PolarHBondContact OG1-OE2 2.98Å; T8-H101 HydrophobicContact CG2-CB 3.61Å; T8-N103 WeakPolarHBondContact CA-OD1 3.47Å; T8-N103 PolarHBondContact N-OD1 2.9Å
9C97.3Very high95.9Very high11 Ų1171.2 Ų71.27%0.07438%0.383CS..EExtended strand (participates in β ladder)trans-113.397.1177-59.60000108.6M1 C3 K7 V11 Y102M1-C9 HydrophobicContact CE-CB 4.09Å; M1-C9 HydrophobicContact SD-CB 4.05Å; C3-C9 WeakPolarHBondContact CB-SG 3.36Å; K7-C9 PolarHBondContact O-N 3.27Å; K7-C9 PolarHBondContact O-SG 3.03Å; C9-V11 PolarHBondContact O-N 3.26Å; C9-Y102 WeakPolarHBondContact CA-O 3.49Å; C9-Y102 VanDerWaalsContact CB-O 3.32Å; C9-Y102 WeakPolarHBondContact CB-O 3.4Å; C9-Y102 PolarHBondContact N-O 2.95Å; C9-Y102 PolarHBondContact O-N 2.96Å
10P97Very high95.9Very high87 Ų8771.6 Ų71.657%0.56539%0.39SS*.EExtended strand (participates in β ladder)trans-67129.7175.127.1-32.7000110.2T99P10-T99 HydrophobicContact CB-CG2 3.8Å
11V97.5Very high95.8Very high23 Ų2374.3 Ų74.314%0.13941%0.411CS..EExtended strand (participates in β ladder)trans-122.8121.4174177.70000108.3C9 I100 Y102 I123 F138C9-V11 PolarHBondContact O-N 3.26Å; V11-I100 PolarHBondContact N-O 3.15Å; V11-I100 PolarHBondContact O-N 3.19Å; V11-Y102 HydrophobicContact CB-CD2 3.94Å; V11-Y102 HydrophobicContact CB-CE2 3.98Å; V11-Y102 HydrophobicContact CG2-CD2 3.69Å; V11-Y102 HydrophobicContact CG2-CE2 4.15Å; V11-I123 HydrophobicContact CG1-CD1 3.85Å; V11-F138 HydrophobicContact CG2-CZ 4.17Å
12Q96.7Very high95.7Very high114 Ų11473.6 Ų73.653%0.53342%0.421SS..EExtended strand (participates in β ladder)trans-85.2134.5178.8-67.8174.6-30.700110.9C97Q12-C97 HydrophobicContact CB-CB 4.47Å
13L96.5Very high95.7Very high22 Ų2271.5 Ų71.512%0.11541%0.413CS..EExtended strand (participates in β ladder)trans-105.4114.3176.6-56.1179.9000108.9V25 C97 T98 I100 I123L13-V25 HydrophobicContact CD1-CB 4.38Å; L13-V25 HydrophobicContact CD1-CG1 4.06Å; L13-V25 HydrophobicContact CD1-CG2 3.66Å; L13-V25 HydrophobicContact CD2-CG1 4.42Å; L13-C97 WeakPolarHBondContact O-CA 3.34Å; L13-C97 VanDerWaalsContact O-CB 3.29Å; L13-C97 WeakPolarHBondContact O-CB 3.33Å; L13-T98 WeakPolarHBondContact CB-O 3.49Å; L13-T98 PolarHBondContact N-O 3.38Å; L13-T98 PolarHBondContact O-N 3.23Å; L13-T98 VanDerWaalsContact O-N 3.11Å; L13-I100 HydrophobicContact CD1-CD1 3.57Å; L13-I100 HydrophobicContact CD1-CG1 3.89Å; L13-I100 HydrophobicContact CG-CD1 4.47Å; L13-I100 HydrophobicContact CG-CG1 4.47Å; L13-I123 HydrophobicContact CD2-CG2 4.35Å
14W96.4Very high95.7Very high152 Ų15273.9 Ų73.958%0.57642%0.42SS*.  trans-105.1132.5178-65.181.7000109D96 C97W14-D96 HydrophobicContact CH2-CB 4.3Å; W14-D96 VanDerWaalsContact CH2-OD1 3.29Å; W14-D96 WeakPolarHBondContact CH2-OD1 3.37Å; W14-D96 WeakPolarHBondContact CH2-OD2 3.32Å; W14-D96 HydrophobicContact CZ3-CB 3.84Å; W14-D96 VanDerWaalsContact CZ3-OD2 3.25Å; W14-D96 WeakPolarHBondContact CZ3-OD2 3.29Å; W14-C97 HydrophobicContact CD2-CB 3.8Å; W14-C97 HydrophobicContact CE3-CB 4.19Å; W14-C97 HydrophobicContact CG-CB 4.16Å; W14-C97 HydrophobicContact CZ2-CB 4.11Å
15V94.8Very high95.7Very high49 Ų4969.9 Ų69.930%0.29740%0.402SS..  trans-138.2138.6176.6-640000109.2P19 Y88V15-P19 HydrophobicContact CG1-CG 4.37Å; V15-Y88 HydrophobicContact CG1-CE2 4.44Å; V15-Y88 VanDerWaalsContact CG2-OH 3.25Å; V15-Y88 WeakPolarHBondContact CG2-OH 3.48Å
16D92.6Very high95.8Very high181 Ų18169 Ų6997%0.96840%0.395SS*.SBendtrans-77.3-29.1-179.5-58.4-34.9000112.2
17S92.6Very high96Very high94 Ų9466.7 Ų66.766%0.65738%0.375SS*.SBendtrans-138.7144.8174.855.80000110.1P19S17-P19 VanDerWaalsContact O-CD 3.28Å; S17-P19 WeakPolarHBondContact O-CD 3.36Å
18T92.7Very high96.1Very high100 Ų10062.9 Ų62.961%0.61336%0.36SS*.PPolyproline II helixtrans-61.6120.8-179.5-530000109.9Y88 P90T18-Y88 HydrophobicContact CG2-CE1 4.45Å; T18-P90 HydrophobicContact CG2-CG 4.4Å
19P94.9Very high96.1Very high18 Ų1860.3 Ų60.312%0.11735%0.345CS..PPolyproline II helixtrans-60.7161178-24.234.7000112.9V15 S17 T23 Y88 L125V15-P19 HydrophobicContact CG1-CG 4.37Å; S17-P19 VanDerWaalsContact O-CD 3.28Å; S17-P19 WeakPolarHBondContact O-CD 3.36Å; P19-T23 HydrophobicContact CB-CG2 3.71Å; P19-T23 WeakPolarHBondContact CB-OG1 3.49Å; P19-T23 HydrophobicContact CG-CG2 4.28Å; P19-Y88 HydrophobicContact CG-CD1 4.24Å; P19-Y88 HydrophobicContact CG-CE1 4.04Å; P19-L125 HydrophobicContact CB-CD2 4.29Å; P19-L125 HydrophobicContact CG-CD2 3.73Å
20P94.9Very high96.2Very high79 Ų7960.4 Ų60.451%0.51335%0.345SS..PPolyproline II helixtrans-56.4151.3176.7-2434000113T23P20-T23 WeakPolarHBondContact O-CB 3.38Å; P20-T23 PolarHBondContact O-N 3.16Å; P20-T23 PolarHBondContact O-OG1 3.27Å
21P94.5Very high96.2Very high129 Ų12956.4 Ų56.484%0.83832%0.318SS*.THydrogen-bonded Turntrans-54.5141.6174.8-25.834.8000112.7T23P21-T23 VanDerWaalsContact C-N 3.3Å
22G94.8Very high96.2Very high54 Ų5460.2 Ų60.256%0.55733%0.333SS*.THydrogen-bonded Turntrans81.66.1-176.800000114.6
23T97.6Very high96.2Very high5 Ų558.5 Ų58.53%0.03133%0.325CS..  trans-59.2143.6169.2-660000110.6P19 P20 P21 Y88 L125 E126 L133P19-T23 HydrophobicContact CB-CG2 3.71Å; P19-T23 WeakPolarHBondContact CB-OG1 3.49Å; P19-T23 HydrophobicContact CG-CG2 4.28Å; P20-T23 WeakPolarHBondContact O-CB 3.38Å; P20-T23 PolarHBondContact O-N 3.16Å; P20-T23 PolarHBondContact O-OG1 3.27Å; P21-T23 VanDerWaalsContact C-N 3.3Å; T23-Y88 HydrophobicContact CG2-CG 4.32Å; T23-Y88 WeakPolarHBondContact O-CB 3.49Å; T23-Y88 PolarHBondContact O-N 2.93Å; T23-L125 HydrophobicContact CG2-CD1 3.3Å; T23-L125 HydrophobicContact CG2-CD2 4.22Å; T23-L125 HydrophobicContact CG2-CG 3.58Å; T23-E126 CarbonylContact C-O 3.59Å; T23-E126 VanDerWaalsContact CA-O 3.28Å; T23-E126 WeakPolarHBondContact CA-O 3.38Å; T23-E126 WeakPolarHBondContact CG2-O 3.46Å; T23-L133 HydrophobicContact CG2-CD1 4.02Å
24R97.6Very high96.2Very high59 Ų5962.6 Ų62.622%0.22336%0.355CS..EExtended strand (participates in β ladder)trans-131.6151-179.268.2-166.4-167.6-175.3-7.3110.9R26 V85 V86 E126R24-R26 VanDerWaalsContact NH2-NH2 3.19Å; R24-V85 HydrophobicContact CB-CG1 3.72Å; R24-V85 HydrophobicContact CG-CG1 3.86Å; R24-V86 CarbonylContact C-O 3.58Å; R24-V86 WeakPolarHBondContact CA-O 3.37Å; R24-E126 HydrophobicContact CG-CB 3.76Å; R24-E126 IonicContact CZ-OE2 3.73Å; R24-E126 PolarHBondContact N-O 2.94Å; R24-E126 IonicContact NE-OE2 3.05Å; R24-E126 PolarHBondContact NE-OE2 2.96Å; R24-E126 IonicContact NH2-OE2 2.61Å; R24-E126 PolarHBondContact NH2-OE2 2.94Å; R24-E126 PolarHBondContact O-N 2.97Å
25V98Very high96.2Very high2 Ų261.8 Ų61.81%0.01236%0.358CS..EExtended strand (participates in β ladder)trans-109.2116.8177.5-175.10000107.9L13 V85 V86 Y88 I100 I123 T124 L125L13-V25 HydrophobicContact CD1-CB 4.38Å; L13-V25 HydrophobicContact CD1-CG1 4.06Å; L13-V25 HydrophobicContact CD1-CG2 3.66Å; L13-V25 HydrophobicContact CD2-CG1 4.42Å; V25-V85 CarbonylContact O-C 3.56Å; V25-V85 WeakPolarHBondContact O-CA 3.48Å; V25-V86 PolarHBondContact N-O 3.38Å; V25-V86 PolarHBondContact O-N 3.37Å; V25-Y88 HydrophobicContact CG2-CD2 4.15Å; V25-I100 HydrophobicContact CB-CD1 3.97Å; V25-I100 HydrophobicContact CG1-CD1 3.89Å; V25-I100 HydrophobicContact CG2-CD1 4.29Å; V25-I123 HydrophobicContact CG1-CG2 3.6Å; V25-T124 CarbonylContact C-O 3.51Å; V25-T124 WeakPolarHBondContact CA-O 3.38Å; V25-L125 HydrophobicContact CG2-CD1 3.88Å
26R98.1Very high96.2Very high39 Ų3961.3 Ų61.315%0.14735%0.353CS..EExtended strand (participates in β ladder)trans-102.9132.9175177.9-171.5-52.6-79.8-9.7110R24 S83 V84 V85 I123 T124 E126R24-R26 VanDerWaalsContact NH2-NH2 3.19Å; R26-S83 PolarHBondContact NH1-OG 2.93Å; R26-V84 CarbonylContact C-O 3.58Å; R26-V84 VanDerWaalsContact CA-O 3.31Å; R26-V84 WeakPolarHBondContact CA-O 3.39Å; R26-V85 HydrophobicContact CB-CG2 3.93Å; R26-V85 HydrophobicContact CG-CG2 3.92Å; R26-I123 CarbonylContact O-C 3.58Å; R26-I123 VanDerWaalsContact O-CA 3.29Å; R26-I123 WeakPolarHBondContact O-CA 3.45Å; R26-T124 WeakPolarHBondContact CB-OG1 3.19Å; R26-T124 PolarHBondContact N-O 3.39Å; R26-T124 PolarHBondContact O-N 2.9Å; R26-E126 WeakPolarHBondContact CB-OE1 3.48Å; R26-E126 VanDerWaalsContact CD-OE1 3.3Å; R26-E126 WeakPolarHBondContact CD-OE1 3.38Å; R26-E126 IonicContact CZ-OE1 3.55Å; R26-E126 IonicContact CZ-OE2 2.97Å; R26-E126 IonicContact NE-OE1 3.76Å; R26-E126 PolarHBondContact NE-OE1 2.9Å; R26-E126 IonicContact NE-OE2 3.66Å; R26-E126 PolarHBondContact NE-OE2 3.3Å; R26-E126 IonicContact NH2-OE1 3.84Å; R26-E126 IonicContact NH2-OE2 2.89Å; R26-E126 PolarHBondContact NH2-OE2 3.4Å
27A98.4Very high96.3Very high0 Ų057.4 Ų57.40%033%0.329CS..EExtended strand (participates in β ladder)trans-112.1135165.900000110.8I63 S83 V84 Y102 T121 I122 I123A27-I63 HydrophobicContact CB-CD1 4.47Å; A27-S83 WeakPolarHBondContact O-CA 3.06Å; A27-V84 HydrophobicContact CB-CG1 3.87Å; A27-V84 PolarHBondContact N-O 3.3Å; A27-V84 PolarHBondContact O-N 2.66Å; A27-Y102 HydrophobicContact CB-CD1 4.39Å; A27-Y102 HydrophobicContact CB-CE1 3.52Å; A27-T121 HydrophobicContact CB-CG2 4.49Å; A27-I122 WeakPolarHBondContact CA-O 3.34Å; A27-I123 HydrophobicContact CB-CG1 4.45Å
28M97.8Very high96.4Very high39 Ų3958.9 Ų58.919%0.19234%0.335CS..EExtended strand (participates in β ladder)trans-139.2148.3175.366.4179.3-62.900111.1I30 T121 I122M28-I30 HydrophobicContact CE-CG2 3.71Å; M28-T121 CarbonylContact O-C 3.59Å; M28-T121 WeakPolarHBondContact O-CA 3.39Å; M28-I122 HydrophobicContact CG-CB 3.83Å; M28-I122 HydrophobicContact CG-CG2 4.48Å; M28-I122 PolarHBondContact N-O 3.27Å; M28-I122 PolarHBondContact O-N 2.97Å
29A98.2Very high96.6Very high10 Ų1057.9 Ų57.98%0.08332%0.323CS..EExtended strand (participates in β ladder)trans-103.4136.5173.200000110.8V41 L62 I63 I119 L120A29-V41 HydrophobicContact CB-CB 4Å; A29-V41 HydrophobicContact CB-CG1 3.95Å; A29-V41 HydrophobicContact CB-CG2 4.19Å; A29-V41 WeakPolarHBondContact O-CG2 3.32Å; A29-L62 HydrophobicContact CB-CD2 4.15Å; A29-I63 HydrophobicContact CB-CD1 3.94Å; A29-I63 HydrophobicContact CB-CG1 4.37Å; A29-I119 HydrophobicContact CB-CD1 4.42Å; A29-L120 WeakPolarHBondContact CA-O 3.27Å
30I97.9Very high96.7Very high12 Ų1258.3 Ų58.36%0.06233%0.326CS..EExtended strand (participates in β ladder)trans-130.9154.5169.964.5163.7000110.2M28 M37 I119 L120 I122M28-I30 HydrophobicContact CE-CG2 3.71Å; I30-M37 HydrophobicContact CD1-CE 3.85Å; I30-I119 CarbonylContact O-C 3.54Å; I30-I119 WeakPolarHBondContact O-CA 3.49Å; I30-I119 WeakPolarHBondContact O-CB 3.47Å; I30-L120 HydrophobicContact CG1-CB 4.03Å; I30-L120 PolarHBondContact N-O 2.8Å; I30-L120 PolarHBondContact O-N 3.11Å; I30-I122 HydrophobicContact CD1-CD1 3.58Å; I30-I122 HydrophobicContact CD1-CG1 4.48Å; I30-I122 HydrophobicContact CG1-CD1 3.89Å; I30-I122 HydrophobicContact CG1-CG1 4.41Å; I30-I122 HydrophobicContact CG2-CD1 4.36Å
31Y98.4Very high96.8Very high3 Ų354.9 Ų54.91%0.01230%0.303CS..EExtended strand (participates in β ladder)trans-70.2136.7169.5-68-70.2000110.9H36 E39 V41 G113 M114 R117 I119Y31-H36 HydrophobicContact CD2-CB 3.95Å; Y31-H36 WeakPolarHBondContact CD2-O 3.18Å; Y31-H36 HydrophobicContact CG-CB 3.83Å; Y31-E39 HydrophobicContact CD2-CB 4.06Å; Y31-E39 HydrophobicContact CE2-CB 4.01Å; Y31-E39 HydrophobicContact CE2-CG 4.08Å; Y31-V41 HydrophobicContact CD1-CG2 4.4Å; Y31-V41 HydrophobicContact CD2-CG2 3.82Å; Y31-V41 HydrophobicContact CE1-CG2 4.32Å; Y31-V41 HydrophobicContact CE2-CB 4.49Å; Y31-V41 HydrophobicContact CE2-CG2 3.75Å; Y31-V41 HydrophobicContact CG-CG2 4.16Å; Y31-G113 PolarHBondContact OH-O 3.5Å; Y31-M114 HydrophobicContact CE1-CB 4.34Å; Y31-M114 HydrophobicContact CE1-CG 4.14Å; Y31-R117 HydrophobicContact CD1-CB 3.67Å; Y31-R117 HydrophobicContact CE1-CB 3.76Å; Y31-R117 PolarHBondContact OH-NH2 2.88Å; Y31-I119 HydrophobicContact CD1-CG2 3.7Å; Y31-I119 HydrophobicContact CE1-CG2 3.89Å
32K97.8Very high96.9Very high104 Ų10453.3 Ų53.345%0.45228%0.28SS..SBendtrans-72.3-34.6179.7-176.5177.7172.1-175.80112.4P118 L120 E139K32-P118 HydrophobicContact CB-CB 4.15Å; K32-P118 HydrophobicContact CD-CB 4.34Å; K32-P118 PolarHBondContact N-O 3.07Å; K32-L120 HydrophobicContact CB-CD1 4.43Å; K32-L120 HydrophobicContact CB-CG 4.06Å; K32-L120 HydrophobicContact CD-CD2 4.37Å; K32-L120 HydrophobicContact CG-CD1 4.26Å; K32-L120 HydrophobicContact CG-CD2 4.43Å; K32-L120 HydrophobicContact CG-CG 4.16Å; K32-E139 HydrophobicContact CD-CG 4.47Å; K32-E139 VanDerWaalsContact CD-OE1 3.26Å; K32-E139 WeakPolarHBondContact CD-OE1 3.36Å; K32-E139 IonicContact NZ-OE1 3.46Å; K32-E139 PolarHBondContact NZ-OE1 3.47Å; K32-E139 IonicContact NZ-OE2 2.64Å; K32-E139 PolarHBondContact NZ-OE2 2.89Å
33Q96.5Very high97Very high78 Ų7851 Ų5136%0.36426%0.255SS..SBendtrans-75.8131.6-178.6-68.5176.3-20.300110.5Q35 H36 M37Q33-Q35 HydrophobicContact CB-CG 4.26Å; Q33-Q35 PolarHBondContact O-N 3.14Å; Q33-H36 PolarHBondContact O-N 2.97Å; Q33-H36 PolarHBondContact OE1-CD2 3.33Å; Q33-M37 PolarHBondContact O-N 3.5Å
34S95.8Very high96.9Very high107 Ų10751 Ų5175%0.74826%0.255SS*.G310 helixtrans-54.5-39.4-177.452.20000113.2H36 M37S34-H36 PolarHBondContact O-N 3.07Å; S34-H36 VanDerWaalsContact O-N 3.14Å; S34-M37 PolarHBondContact O-N 3.44Å
35Q96.8Very high96.8Very high135 Ų13550.8 Ų50.863%0.63126%0.261SS*.G310 helixtrans-62.9-18.3179.973.3-168.118.300114.5Q33Q33-Q35 HydrophobicContact CB-CG 4.26Å; Q33-Q35 PolarHBondContact O-N 3.14Å
36H95.4Very high96.7Very high40 Ų4057.1 Ų57.119%0.18529%0.291CS..G310 helixtrans-118.81.4-180-58-56.6000112.8Y31 Q33 S34 T38 E39 R117Y31-H36 HydrophobicContact CD2-CB 3.95Å; Y31-H36 WeakPolarHBondContact CD2-O 3.18Å; Y31-H36 HydrophobicContact CG-CB 3.83Å; Q33-H36 PolarHBondContact O-N 2.97Å; Q33-H36 PolarHBondContact OE1-CD2 3.33Å; S34-H36 PolarHBondContact O-N 3.07Å; S34-H36 VanDerWaalsContact O-N 3.14Å; H36-T38 PolarHBondContact O-N 3.42Å; H36-T38 VanDerWaalsContact O-N 3.15Å; H36-E39 WeakPolarHBondContact O-CB 3.17Å; H36-E39 PolarHBondContact O-N 2.96Å; H36-R117 WeakPolarHBondContact CD2-CD 3.43Å; H36-R117 PolarHBondContact ND1-NH1 2.8Å; H36-R117 WeakPolarHBondContact NE2-CD 3.39Å
37M93.3Very high96.5Very high98 Ų9856.7 Ų56.748%0.48329%0.29SS..THydrogen-bonded Turntrans-63.6-26.8-169.7-165.8-178.7-177.800112.9I30 Q33 S34 R81I30-M37 HydrophobicContact CD1-CE 3.85Å; Q33-M37 PolarHBondContact O-N 3.5Å; S34-M37 PolarHBondContact O-N 3.44Å; M37-R81 PolarHBondContact O-NH2 2.97Å
38T94.8Very high96.3Very high126 Ų12659.3 Ų59.377%0.77330%0.302SS*.THydrogen-bonded Turntrans-79.2-19175.652.80000113.5H36H36-T38 PolarHBondContact O-N 3.42Å; H36-T38 VanDerWaalsContact O-N 3.15Å
39E96.8Very high96Very high79 Ų7966.5 Ų66.537%0.36933%0.327SS..SBendtrans-74.4143.8179.4-167.3-178.1137.500111.1Y31 H36 R117Y31-E39 HydrophobicContact CD2-CB 4.06Å; Y31-E39 HydrophobicContact CE2-CB 4.01Å; Y31-E39 HydrophobicContact CE2-CG 4.08Å; H36-E39 WeakPolarHBondContact O-CB 3.17Å; H36-E39 PolarHBondContact O-N 2.96Å; E39-R117 IonicContact OE1-CZ 2.65Å; E39-R117 VanDerWaalsContact OE1-CZ 3.29Å; E39-R117 IonicContact OE1-NH1 3.74Å; E39-R117 PolarHBondContact OE1-NH1 3.49Å; E39-R117 IonicContact OE1-NH2 3.4Å; E39-R117 PolarHBondContact OE1-NH2 3Å; E39-R117 IonicContact OE2-CZ 3.54Å; E39-R117 IonicContact OE2-NH1 3.55Å; E39-R117 PolarHBondContact OE2-NH1 3.05Å; E39-R117 IonicContact OE2-NH2 3.94Å
40V97.2Very high95.3Very high27 Ų2768.2 Ų68.216%0.16434%0.338CS..  trans-76.9130.9175.8-179.30000109.6R42 F80 R81V40-R42 HydrophobicContact CB-CG 4.3Å; V40-R42 HydrophobicContact CG1-CG 3.85Å; V40-R42 PolarHBondContact O-N 3.27Å; V40-F80 VanDerWaalsContact CG1-O 3.29Å; V40-F80 WeakPolarHBondContact CG1-O 3.46Å; V40-F80 HydrophobicContact CG2-CB 4.03Å; V40-F80 WeakPolarHBondContact CG2-O 3.36Å; V40-R81 HydrophobicContact CG2-CG 4.47Å
41V97.6Very high93.8Very high7 Ų773 Ų734%0.04237%0.372CS..  trans-77.2112.9173.3-177.60000109.1A29 Y31 L62 H82 M114 I119A29-V41 HydrophobicContact CB-CB 4Å; A29-V41 HydrophobicContact CB-CG1 3.95Å; A29-V41 HydrophobicContact CB-CG2 4.19Å; A29-V41 WeakPolarHBondContact O-CG2 3.32Å; Y31-V41 HydrophobicContact CD1-CG2 4.4Å; Y31-V41 HydrophobicContact CD2-CG2 3.82Å; Y31-V41 HydrophobicContact CE1-CG2 4.32Å; Y31-V41 HydrophobicContact CE2-CB 4.49Å; Y31-V41 HydrophobicContact CE2-CG2 3.75Å; Y31-V41 HydrophobicContact CG-CG2 4.16Å; V41-L62 HydrophobicContact CG1-CB 4.33Å; V41-L62 HydrophobicContact CG1-CD2 3.41Å; V41-L62 VanDerWaalsContact CG1-CD2 3.41Å; V41-L62 HydrophobicContact CG1-CG 4.46Å; V41-H82 PolarHBondContact O-ND1 3.04Å; V41-M114 HydrophobicContact CG1-CG 4.32Å; V41-I119 HydrophobicContact CG1-CG2 4.25Å; V41-I119 HydrophobicContact CG2-CG2 4.17Å
42R96Very high92.4Very high95 Ų9577.5 Ų77.536%0.35840%0.397SS..  trans-122.3164180-51.6-172.268.5104.1-8.4111.7V40 E48 Q60 H82V40-R42 HydrophobicContact CB-CG 4.3Å; V40-R42 HydrophobicContact CG1-CG 3.85Å; V40-R42 PolarHBondContact O-N 3.27Å; R42-E48 IonicContact NE-OE1 3.91Å; R42-E48 PolarHBondContact NE-OE1 2.63Å; R42-E48 IonicContact NH2-OE1 2.63Å; R42-Q60 VanDerWaalsContact NH2-CB 3.26Å; R42-H82 VanDerWaalsContact CZ-CE1 3.49Å; R42-H82 PolarHBondContact NH1-CE1 2.72Å; R42-H82 VanDerWaalsContact NH1-CE1 3.34Å; R42-H82 PolarHBondContact NH1-NE2 3.23Å
43R96.4Very high90.9Very high7 Ų775 Ų753%0.02639%0.393CS..  trans-70.5157.4166.6-66.5176.965.3-15213.5109.1H47 E48 P59 Q60 H61 M105 C106R43-H47 HydrophobicContact CB-CB 4.25Å; R43-H47 PolarHBondContact NH1-O 3.1Å; R43-H47 VanDerWaalsContact NH1-O 3.07Å; R43-H47 PolarHBondContact NH2-O 3.49Å; R43-E48 HydrophobicContact CB-CG 3.71Å; R43-P59 VanDerWaalsContact CD-O 3.24Å; R43-P59 WeakPolarHBondContact CD-O 3.42Å; R43-P59 PolarHBondContact NH1-O 3.38Å; R43-Q60 PolarHBondContact N-O 2.81Å; R43-H61 WeakPolarHBondContact CD-O 3.38Å; R43-M105 HydrophobicContact CG-CB 4.41Å; R43-M105 PolarHBondContact NE-O 2.82Å; R43-C106 HydrophobicContact CB-CB 4.34Å; R43-C106 HydrophobicContact CG-CB 4.1Å
44C96.9Very high89.6Confident5 Ų577.4 Ų77.43%0.03441%0.408CS..  trans-72156.4174.865.10000110.3H46 H47 E48 C106 C110 M111C44-H46 PolarHBondContact O-N 3.44Å; C44-H47 PolarHBondContact O-N 3.1Å; C44-H47 PolarHBondContact SG-ND1 2.84Å; C44-E48 PolarHBondContact O-N 3.34Å; C44-C106 PolarHBondContact N-SG 3.45Å; C44-C106 VanDerWaalsContact N-SG 3.44Å; C44-C110 HydrophobicContact CB-CB 3.94Å; C44-M111 WeakPolarHBondContact CB-O 3.5Å
45P95.5Very high88.7Confident54 Ų5475.6 Ų75.635%0.35141%0.406SS..Hα-helixtrans-54.9-30.4-179.3-28.134.4000114.2R49 G112P45-R49 WeakPolarHBondContact O-CG 3.15Å; P45-R49 PolarHBondContact O-N 2.89Å; P45-R49 PolarHBondContact O-NE 2.85Å; P45-R49 PolarHBondContact O-NH1 3.44Å; P45-G112 WeakPolarHBondContact CD-O 3.4Å
46H94.9Very high88.1Confident135 Ų13574.2 Ų74.263%0.62540%0.402SS*.Hα-helixtrans-64.2-44.9174.6179.7-85.1000112.2C44C44-H46 PolarHBondContact O-N 3.44Å
47H94.4Very high87.9Confident30 Ų3072.4 Ų72.414%0.13939%0.394CS..Hα-helixtrans-79-31.9179.6-73.1147.7000112.9R43 C44 R49 C50 C106 C110R43-H47 HydrophobicContact CB-CB 4.25Å; R43-H47 PolarHBondContact NH1-O 3.1Å; R43-H47 VanDerWaalsContact NH1-O 3.07Å; R43-H47 PolarHBondContact NH2-O 3.49Å; C44-H47 PolarHBondContact O-N 3.1Å; C44-H47 PolarHBondContact SG-ND1 2.84Å; H47-R49 PolarHBondContact O-N 3.37Å; H47-C50 WeakPolarHBondContact O-CB 3.27Å; H47-C50 PolarHBondContact O-N 3.09Å; H47-C50 VanDerWaalsContact O-N 3.14Å; H47-C106 PolarHBondContact ND1-SG 2.88Å; H47-C106 VanDerWaalsContact ND1-SG 3.42Å; H47-C110 PolarHBondContact CE1-SG 2.86Å
48E93.1Very high87.9Confident55 Ų5569.2 Ų69.226%0.25738%0.381SS..Hα-helixtrans-62.5-32.5173.5-69.2-169.1164.200111.9R42 R43 C44 C50 P59 Q60R42-E48 IonicContact NE-OE1 3.91Å; R42-E48 PolarHBondContact NE-OE1 2.63Å; R42-E48 IonicContact NH2-OE1 2.63Å; R43-E48 HydrophobicContact CB-CG 3.71Å; C44-E48 PolarHBondContact O-N 3.34Å; E48-C50 VanDerWaalsContact C-N 3.33Å; E48-P59 WeakPolarHBondContact O-CB 3.24Å; E48-Q60 WeakPolarHBondContact OE1-CB 3.14Å
49R91.5Very high87.8Confident190 Ų19065.7 Ų65.772%0.71736%0.36SS*.THydrogen-bonded Turntrans-80.9-8.8175.5-71-174.6-67.7-96.84.5114.4P45 H47P45-R49 WeakPolarHBondContact O-CG 3.15Å; P45-R49 PolarHBondContact O-N 2.89Å; P45-R49 PolarHBondContact O-NE 2.85Å; P45-R49 PolarHBondContact O-NH1 3.44Å; H47-R49 PolarHBondContact O-N 3.37Å
50C83.6Confident87.7Confident46 Ų4663.5 Ų63.531%0.31135%0.35SS..  trans-73129.8179.4-155.30000109.8H47 E48 D52H47-C50 WeakPolarHBondContact O-CB 3.27Å; H47-C50 PolarHBondContact O-N 3.09Å; H47-C50 VanDerWaalsContact O-N 3.14Å; E48-C50 VanDerWaalsContact C-N 3.33Å; C50-D52 PolarHBondContact O-N 3.06Å; C50-D52 VanDerWaalsContact O-N 3.11Å; C50-D52 PolarHBondContact SG-OD2 3.22Å
51S68.1Low87.6Confident111 Ų11162.3 Ų62.378%0.77634%0.342SS*.  trans-75.49.1-174.252.70000114.9S53S51-S53 PolarHBondContact O-N 3.39Å
52D67.5Low87.6Confident99 Ų9962.1 Ų62.153%0.52934%0.341SS..  trans-73.944.3178.6-54.6-34000112.1C50 R64C50-D52 PolarHBondContact O-N 3.06Å; C50-D52 VanDerWaalsContact O-N 3.11Å; C50-D52 PolarHBondContact SG-OD2 3.22Å; D52-R64 PolarHBondContact O-NH1 2.96Å; D52-R64 PolarHBondContact O-NH2 2.85Å
53S66.7Low87.7Confident52 Ų5258 Ų5836%0.36433%0.326SS..  trans-90.4121173.1-176.90000108.4S51 G55 A57S51-S53 PolarHBondContact O-N 3.39Å; S53-G55 PolarHBondContact O-N 3.17Å; S53-G55 PolarHBondContact OG-N 3.02Å; S53-A57 PolarHBondContact OG-O 3.17Å
54D68.7Low87.6Confident128 Ų12858.1 Ų58.168%0.68433%0.327SS*.  trans-70.618.1168.9-50.2-51.6000111.9L56 R64D54-L56 PolarHBondContact O-N 2.89Å; D54-R64 IonicContact OD2-NH1 3.3Å
55G76.6Confident87.6Confident68 Ų6858.6 Ų58.670%0.70133%0.329SS*.SBendtrans73.3-34.9-175.200000114.6S53S53-G55 PolarHBondContact O-N 3.17Å; S53-G55 PolarHBondContact OG-N 3.02Å
56L84.6Confident87.4Confident107 Ų10760.2 Ų60.256%0.5633%0.332SS*.SBendtrans-81.7-37.7-175.3-65.1173.8000113.4D54 Y73D54-L56 PolarHBondContact O-N 2.89Å; L56-Y73 HydrophobicContact CB-CE2 4.48Å; L56-Y73 WeakPolarHBondContact O-CD2 3.16Å
57A91.2Very high87.2Confident1 Ų157.7 Ų57.71%0.00834%0.343CS..SBendtrans-94.3118.8-175.400000111S53 R64 Y73S53-A57 PolarHBondContact OG-O 3.17Å; A57-R64 HydrophobicContact CB-CG 3.89Å; A57-Y73 HydrophobicContact CB-CD1 4.31Å; A57-Y73 HydrophobicContact CB-CD2 4.19Å; A57-Y73 HydrophobicContact CB-CE1 3.8Å; A57-Y73 HydrophobicContact CB-CE2 3.67Å; A57-Y73 HydrophobicContact CB-CG 4.48Å; A57-Y73 VanDerWaalsContact CB-CZ 3.46Å
58P93Very high87.1Confident31 Ų3158.3 Ų58.320%0.20135%0.347CS..  trans-61.8143179-19.530.3000111.3Q60 H61P58-Q60 VanDerWaalsContact CB-CD 3.49Å; P58-Q60 VanDerWaalsContact CB-NE2 3.31Å; P58-Q60 PolarHBondContact O-N 2.65Å; P58-H61 PolarHBondContact O-N 2.97Å; P58-H61 VanDerWaalsContact O-N 3.1Å
59P93.4Very high87Confident52 Ų5263.4 Ų63.434%0.33838%0.375SS..THydrogen-bonded Turntrans-63.9-15.9-172.324.6-34.1000114R43 E48R43-P59 VanDerWaalsContact CD-O 3.24Å; R43-P59 WeakPolarHBondContact CD-O 3.42Å; R43-P59 PolarHBondContact NH1-O 3.38Å; E48-P59 WeakPolarHBondContact O-CB 3.24Å
60Q94Very high87.1Confident33 Ų3360.9 Ų60.915%0.15437%0.366CS..THydrogen-bonded Turntrans-85.1-17.2177.268.9-8310.700114.9R42 R43 E48 P58 L62 D75 H82R42-Q60 VanDerWaalsContact NH2-CB 3.26Å; R43-Q60 PolarHBondContact N-O 2.81Å; E48-Q60 WeakPolarHBondContact OE1-CB 3.14Å; P58-Q60 VanDerWaalsContact CB-CD 3.49Å; P58-Q60 VanDerWaalsContact CB-NE2 3.31Å; P58-Q60 PolarHBondContact O-N 2.65Å; Q60-L62 PolarHBondContact O-N 3.04Å; Q60-D75 PolarHBondContact NE2-OD2 3.33Å; Q60-H82 WeakPolarHBondContact CG-CE1 3.38Å; Q60-H82 PolarHBondContact O-CE1 2.84Å; Q60-H82 PolarHBondContact O-ND1 3.21Å
61H96.1Very high87.7Confident2 Ų259.6 Ų59.61%0.00936%0.357CS..  trans-72.3126.6-175.5-78.9-123.8000111.5R43 P58 Y73 D75 S83R43-H61 WeakPolarHBondContact CD-O 3.38Å; P58-H61 PolarHBondContact O-N 2.97Å; P58-H61 VanDerWaalsContact O-N 3.1Å; H61-Y73 HydrophobicContact CB-CD1 4.41Å; H61-Y73 AromaticContact ND1-CD1 3.55Å; H61-D75 IonicContact CD2-OD1 2.94Å; H61-D75 IonicContact CE1-OD1 2.87Å; H61-D75 IonicContact NE2-OD1 3.29Å; H61-D75 PolarHBondContact NE2-OD1 3.4Å; H61-D75 VanDerWaalsContact NE2-OD1 3.11Å; H61-D75 IonicContact NE2-OD2 3.28Å; H61-S83 PolarHBondContact CE1-O 3.44Å; H61-S83 VanDerWaalsContact CE1-O 3.32Å
62L97.1Very high89Confident4 Ų459.5 Ų59.52%0.02134%0.344CS..SBendtrans-72-44.2175.2177.464.6000112A29 V41 Q60 Y104 M105 C106 M114 I119A29-L62 HydrophobicContact CB-CD2 4.15Å; V41-L62 HydrophobicContact CG1-CB 4.33Å; V41-L62 HydrophobicContact CG1-CD2 3.41Å; V41-L62 VanDerWaalsContact CG1-CD2 3.41Å; V41-L62 HydrophobicContact CG1-CG 4.46Å; Q60-L62 PolarHBondContact O-N 3.04Å; L62-Y104 HydrophobicContact CD2-CD1 4.34Å; L62-Y104 HydrophobicContact CG-CD1 4.23Å; L62-Y104 WeakPolarHBondContact O-CA 3.27Å; L62-M105 PolarHBondContact O-N 3.14Å; L62-C106 HydrophobicContact CD1-CB 3.54Å; L62-M114 HydrophobicContact CD1-CE 3.94Å; L62-M114 HydrophobicContact CD2-CE 4.08Å; L62-M114 HydrophobicContact CD2-SD 4.11Å; L62-I119 HydrophobicContact CD2-CD1 3.62Å
63I97.4Very high90.4Very high9 Ų956.5 Ų56.55%0.04633%0.325CS..EExtended strand (participates in β ladder)trans-95.8127.8-176.3-53.7175.3000108.5A27 A29 V84 Y102 N103 Y104 T121A27-I63 HydrophobicContact CB-CD1 4.47Å; A29-I63 HydrophobicContact CB-CD1 3.94Å; A29-I63 HydrophobicContact CB-CG1 4.37Å; I63-V84 HydrophobicContact CB-CG1 4.3Å; I63-V84 HydrophobicContact CG2-CG1 3.8Å; I63-Y102 HydrophobicContact CG2-CD1 3.58Å; I63-Y102 HydrophobicContact CG2-CE1 4.23Å; I63-Y102 HydrophobicContact CG2-CG 4.38Å; I63-N103 CarbonylContact C-O 3.48Å; I63-N103 WeakPolarHBondContact CA-O 3.44Å; I63-Y104 HydrophobicContact CD1-CE1 4.28Å; I63-Y104 HydrophobicContact CG1-CD1 4.24Å; I63-Y104 HydrophobicContact CG1-CE1 3.83Å; I63-T121 HydrophobicContact CD1-CG2 4Å
64R95.9Very high91.8Very high9 Ų956.9 Ų56.93%0.03432%0.323CS..EExtended strand (participates in β ladder)trans-117.7155.4169.5-67.1-171.4-177.8-178.92.8110.7D52 D54 A57 Y73 Y102 N103 M105D52-R64 PolarHBondContact O-NH1 2.96Å; D52-R64 PolarHBondContact O-NH2 2.85Å; D54-R64 IonicContact OD2-NH1 3.3Å; A57-R64 HydrophobicContact CB-CG 3.89Å; R64-Y73 WeakPolarHBondContact CA-OH 3.34Å; R64-Y73 HydrophobicContact CB-CE1 4.43Å; R64-Y73 WeakPolarHBondContact CB-OH 3.32Å; R64-Y73 HydrophobicContact CG-CE1 4.22Å; R64-Y102 CarbonylContact O-C 3.58Å; R64-Y102 WeakPolarHBondContact O-CA 3.06Å; R64-N103 HydrophobicContact CB-CB 4.1Å; R64-N103 PolarHBondContact N-O 3.37Å; R64-N103 PolarHBondContact O-N 3.31Å; R64-M105 HydrophobicContact CB-CG 4.38Å; R64-M105 HydrophobicContact CG-CG 3.73Å
65V96Very high93.1Very high14 Ų1454.4 Ų54.49%0.08531%0.31CS..EExtended strand (participates in β ladder)trans-111.3133.1170.3175.60000108.7N68 V71 Y73 V84 V86 I100 H101 Y102V65-N68 HydrophobicContact CG1-CB 3.93Å; V65-V71 HydrophobicContact CB-CB 4.47Å; V65-V71 HydrophobicContact CB-CG2 3.9Å; V65-V71 HydrophobicContact CG2-CG2 4.21Å; V65-Y73 PolarHBondContact N-OH 2.94Å; V65-V84 HydrophobicContact CB-CG2 4.36Å; V65-V84 HydrophobicContact CG2-CB 4.5Å; V65-V84 HydrophobicContact CG2-CG1 4.04Å; V65-V84 HydrophobicContact CG2-CG2 3.62Å; V65-V86 HydrophobicContact CB-CG2 4.28Å; V65-V86 HydrophobicContact CG1-CG2 3.98Å; V65-V86 HydrophobicContact CG2-CG2 3.85Å; V65-I100 HydrophobicContact CG1-CG2 3.99Å; V65-I100 HydrophobicContact CG2-CG2 4.2Å; V65-H101 WeakPolarHBondContact CA-O 3.19Å; V65-Y102 HydrophobicContact CG2-CD1 3.76Å; V65-Y102 HydrophobicContact CG2-CE1 3.64Å
66E92.5Very high94Very high88 Ų8854.4 Ų54.441%0.41129%0.293SS..EExtended strand (participates in β ladder)trans-103.9146.9178.8-172.5174.9172.300110.9T8 N68 H101 N103T8-E66 WeakPolarHBondContact CG2-OE2 3.32Å; T8-E66 PolarHBondContact OG1-OE2 2.98Å; E66-N68 VanDerWaalsContact C-N 3.27Å; E66-N68 PolarHBondContact O-N 2.73Å; E66-H101 HydrophobicContact CB-CB 4.14Å; E66-H101 PolarHBondContact N-O 2.92Å; E66-N103 PolarHBondContact OE2-ND2 2.73Å
67G90.5Very high94.5Very high83 Ų8359.9 Ų59.986%0.85631%0.307SS*.SBendtrans71.912.9173.900000115.4
68N91Very high94.7Very high43 Ų4366.8 Ų66.823%0.2334%0.343CS..  trans-129.6115.9177.8-162.8-48.9000111.6V65 E66 R70 V71 V86V65-N68 HydrophobicContact CG1-CB 3.93Å; E66-N68 VanDerWaalsContact C-N 3.27Å; E66-N68 PolarHBondContact O-N 2.73Å; N68-R70 WeakPolarHBondContact OD1-CA 3.42Å; N68-R70 WeakPolarHBondContact OD1-CB 3.34Å; N68-R70 PolarHBondContact OD1-N 3.35Å; N68-V71 WeakPolarHBondContact O-CG1 3.49Å; N68-V86 HydrophobicContact CB-CG1 4.48Å; N68-V86 WeakPolarHBondContact ND2-CG1 3.25Å
69L91.6Very high94.8Very high162 Ų16268.7 Ų68.785%0.84836%0.355SS*.THydrogen-bonded Turntrans-81.1-16.7179.9-63177.5000113.6V71L69-V71 PolarHBondContact O-N 3.41Å
70R94.2Very high94.9Very high137 Ų13772.9 Ų72.952%0.51737%0.368SS..THydrogen-bonded Turntrans-88.914.1177.2-59.5-171.3-71-104.6-2.2112.4N68 P87 E89N68-R70 WeakPolarHBondContact OD1-CA 3.42Å; N68-R70 WeakPolarHBondContact OD1-CB 3.34Å; N68-R70 PolarHBondContact OD1-N 3.35Å; R70-P87 HydrophobicContact CB-CG 3.85Å; R70-P87 WeakPolarHBondContact O-CD 3.36Å; R70-E89 IonicContact CZ-OE1 3.94Å; R70-E89 VanDerWaalsContact CZ-OE1 3.28Å; R70-E89 IonicContact NE-OE1 2.92Å; R70-E89 IonicContact NH2-OE1 3.11Å; R70-E89 PolarHBondContact NH2-OE1 2.65Å; R70-E89 IonicContact NH2-OE2 3.6Å; R70-E89 PolarHBondContact NH2-OE2 2.97Å
71V95.9Very high95.1Very high19 Ų1973.8 Ų73.812%0.11537%0.37CS..  trans-70.2134.7177.164.10000110.8V65 N68 L69 Y73 V84 V85 V86V65-V71 HydrophobicContact CB-CB 4.47Å; V65-V71 HydrophobicContact CB-CG2 3.9Å; V65-V71 HydrophobicContact CG2-CG2 4.21Å; N68-V71 WeakPolarHBondContact O-CG1 3.49Å; L69-V71 PolarHBondContact O-N 3.41Å; V71-Y73 HydrophobicContact CB-CE2 4.42Å; V71-Y73 HydrophobicContact CG1-CD2 4.43Å; V71-Y73 HydrophobicContact CG1-CE2 3.74Å; V71-Y73 HydrophobicContact CG2-CD2 4.22Å; V71-Y73 HydrophobicContact CG2-CE2 3.73Å; V71-V84 HydrophobicContact CG2-CG2 3.21Å; V71-V85 WeakPolarHBondContact CA-O 3.2Å; V71-V86 HydrophobicContact CB-CG2 4.34Å; V71-V86 HydrophobicContact CG2-CG2 4.11Å
72E95.8Very high95.1Very high108 Ų10874.4 Ų74.451%0.50537%0.373SS..EExtended strand (participates in β ladder)trans-115.1122.9172.5-67.6178.6-170.200109.8V84 V85E72-V84 CarbonylContact O-C 3.52Å; E72-V84 WeakPolarHBondContact O-CA 3.41Å; E72-V85 HydrophobicContact CB-CB 4.39Å; E72-V85 PolarHBondContact N-O 3.45Å; E72-V85 PolarHBondContact O-N 2.85Å
73Y96.5Very high95.2Very high37 Ų3774.9 Ų74.915%0.14538%0.376CS..EExtended strand (participates in β ladder)trans-94.8121.6172.2-68.1-86.1000109L56 A57 H61 R64 V65 V71 V84L56-Y73 HydrophobicContact CB-CE2 4.48Å; L56-Y73 WeakPolarHBondContact O-CD2 3.16Å; A57-Y73 HydrophobicContact CB-CD1 4.31Å; A57-Y73 HydrophobicContact CB-CD2 4.19Å; A57-Y73 HydrophobicContact CB-CE1 3.8Å; A57-Y73 HydrophobicContact CB-CE2 3.67Å; A57-Y73 HydrophobicContact CB-CG 4.48Å; A57-Y73 VanDerWaalsContact CB-CZ 3.46Å; H61-Y73 HydrophobicContact CB-CD1 4.41Å; H61-Y73 AromaticContact ND1-CD1 3.55Å; R64-Y73 WeakPolarHBondContact CA-OH 3.34Å; R64-Y73 HydrophobicContact CB-CE1 4.43Å; R64-Y73 WeakPolarHBondContact CB-OH 3.32Å; R64-Y73 HydrophobicContact CG-CE1 4.22Å; V65-Y73 PolarHBondContact N-OH 2.94Å; V71-Y73 HydrophobicContact CB-CE2 4.42Å; V71-Y73 HydrophobicContact CG1-CD2 4.43Å; V71-Y73 HydrophobicContact CG1-CE2 3.74Å; V71-Y73 HydrophobicContact CG2-CD2 4.22Å; V71-Y73 HydrophobicContact CG2-CE2 3.73Å; Y73-V84 HydrophobicContact CD1-CB 4.12Å; Y73-V84 HydrophobicContact CD1-CG2 3.92Å; Y73-V84 HydrophobicContact CE1-CB 4.13Å; Y73-V84 HydrophobicContact CE1-CG2 3.7Å
74L95.8Very high95.2Very high60 Ų6074.5 Ų74.531%0.31437%0.374SS..EExtended strand (participates in β ladder)trans-120.4127.5-173.2-62.1174.6000111.4S83 V85L74-S83 PolarHBondContact N-O 3.1Å; L74-S83 PolarHBondContact O-N 3.27Å; L74-V85 HydrophobicContact CD1-CB 4.46Å; L74-V85 HydrophobicContact CD1-CG2 3.66Å
75D96Very high95.2Very high75 Ų7574.2 Ų74.240%0.40137%0.374SS..EExtended strand (participates in β ladder)trans-99.9109.7166.2-71.8-42.7000108.8Q60 H61 R77 H82Q60-D75 PolarHBondContact NE2-OD2 3.33Å; H61-D75 IonicContact CD2-OD1 2.94Å; H61-D75 IonicContact CE1-OD1 2.87Å; H61-D75 IonicContact NE2-OD1 3.29Å; H61-D75 PolarHBondContact NE2-OD1 3.4Å; H61-D75 VanDerWaalsContact NE2-OD1 3.11Å; H61-D75 IonicContact NE2-OD2 3.28Å; D75-R77 PolarHBondContact O-N 3.27Å; D75-H82 IonicContact OD1-CD2 2.73Å; D75-H82 PolarHBondContact OD1-CD2 3.45Å; D75-H82 IonicContact OD1-CG 2.65Å; D75-H82 IonicContact OD1-NE2 3.89Å
76D95.4Very high95.3Very high68 Ų6873.7 Ų73.736%0.36437%0.371SS..  trans-68.7122179.9-176.3-81.1000110.7N78 T79 F80 R81D76-N78 VanDerWaalsContact C-N 3.27Å; D76-N78 PolarHBondContact O-N 2.78Å; D76-N78 PolarHBondContact OD1-N 2.86Å; D76-T79 WeakPolarHBondContact CB-OG1 3.33Å; D76-T79 WeakPolarHBondContact OD1-CB 3.3Å; D76-T79 PolarHBondContact OD1-N 3.41Å; D76-T79 PolarHBondContact OD1-OG1 3.44Å; D76-F80 WeakPolarHBondContact O-CA 3.25Å; D76-F80 PolarHBondContact O-N 3.1Å; D76-R81 PolarHBondContact N-O 2.9Å
77R95.2Very high95.5Very high223 Ų22371.6 Ų71.684%0.84237%0.365SS*.THydrogen-bonded Turntrans-70.2-20.1-173.8-65.6-172.9178.2-169.7-0.1114.5D75D75-R77 PolarHBondContact O-N 3.27Å
78N95.7Very high95.8Very high145 Ų14568.7 Ų68.778%0.77533%0.328SS*.THydrogen-bonded Turntrans-96.3-40.9-175.4-63.3-34.1000111.5D76D76-N78 VanDerWaalsContact C-N 3.27Å; D76-N78 PolarHBondContact O-N 2.78Å; D76-N78 PolarHBondContact OD1-N 2.86Å
79T94.9Very high95.9Very high71 Ų7170.2 Ų70.244%0.43633%0.333SS..THydrogen-bonded Turntrans-103.8-10.6-175.366.20000113D76 R81D76-T79 WeakPolarHBondContact CB-OG1 3.33Å; D76-T79 WeakPolarHBondContact OD1-CB 3.3Å; D76-T79 PolarHBondContact OD1-N 3.41Å; D76-T79 PolarHBondContact OD1-OG1 3.44Å; T79-R81 PolarHBondContact O-N 2.97Å; T79-R81 VanDerWaalsContact O-N 3.1Å; T79-R81 PolarHBondContact OG1-N 2.88Å
80F95.7Very high96Very high140 Ų14065.9 Ų65.961%0.61432%0.315SS*.  trans58.914.8-174.9-52.9-77000114V40 D76V40-F80 VanDerWaalsContact CG1-O 3.29Å; V40-F80 WeakPolarHBondContact CG1-O 3.46Å; V40-F80 HydrophobicContact CG2-CB 4.03Å; V40-F80 WeakPolarHBondContact CG2-O 3.36Å; D76-F80 WeakPolarHBondContact O-CA 3.25Å; D76-F80 PolarHBondContact O-N 3.1Å
81R97.2Very high95.9Very high53 Ų5361.3 Ų61.320%0.230%0.303CS..  trans-78.2136.9-177.9-68.2-172.5-178.4-78.90.6110.7M37 V40 D76 T79M37-R81 PolarHBondContact O-NH2 2.97Å; V40-R81 HydrophobicContact CG2-CG 4.47Å; D76-R81 PolarHBondContact N-O 2.9Å; T79-R81 PolarHBondContact O-N 2.97Å; T79-R81 VanDerWaalsContact O-N 3.1Å; T79-R81 PolarHBondContact OG1-N 2.88Å
82H97.5Very high95.8Very high15 Ų1568.4 Ų68.47%0.06934%0.335CS..EExtended strand (participates in β ladder)trans-84.9135.9173.3-50158.8000109.6V41 R42 Q60 D75V41-H82 PolarHBondContact O-ND1 3.04Å; R42-H82 VanDerWaalsContact CZ-CE1 3.49Å; R42-H82 PolarHBondContact NH1-CE1 2.72Å; R42-H82 VanDerWaalsContact NH1-CE1 3.34Å; R42-H82 PolarHBondContact NH1-NE2 3.23Å; Q60-H82 WeakPolarHBondContact CG-CE1 3.38Å; Q60-H82 PolarHBondContact O-CE1 2.84Å; Q60-H82 PolarHBondContact O-ND1 3.21Å; D75-H82 IonicContact OD1-CD2 2.73Å; D75-H82 PolarHBondContact OD1-CD2 3.45Å; D75-H82 IonicContact OD1-CG 2.65Å; D75-H82 IonicContact OD1-NE2 3.89Å
83S97.6Very high95.7Very high13 Ų1370.9 Ų70.99%0.09136%0.358CS..EExtended strand (participates in β ladder)trans-141.7161.3171.2610000110.8R26 A27 H61 L74R26-S83 PolarHBondContact NH1-OG 2.93Å; A27-S83 WeakPolarHBondContact O-CA 3.06Å; H61-S83 PolarHBondContact CE1-O 3.44Å; H61-S83 VanDerWaalsContact CE1-O 3.32Å; L74-S83 PolarHBondContact N-O 3.1Å; L74-S83 PolarHBondContact O-N 3.27Å
84V97.4Very high95.5Very high1 Ų173.5 Ų73.51%0.00640%0.395CS..EExtended strand (participates in β ladder)trans-124.7136172.362.40000108.3R26 A27 I63 V65 V71 E72 Y73 Y102R26-V84 CarbonylContact C-O 3.58Å; R26-V84 VanDerWaalsContact CA-O 3.31Å; R26-V84 WeakPolarHBondContact CA-O 3.39Å; A27-V84 HydrophobicContact CB-CG1 3.87Å; A27-V84 PolarHBondContact N-O 3.3Å; A27-V84 PolarHBondContact O-N 2.66Å; I63-V84 HydrophobicContact CB-CG1 4.3Å; I63-V84 HydrophobicContact CG2-CG1 3.8Å; V65-V84 HydrophobicContact CB-CG2 4.36Å; V65-V84 HydrophobicContact CG2-CB 4.5Å; V65-V84 HydrophobicContact CG2-CG1 4.04Å; V65-V84 HydrophobicContact CG2-CG2 3.62Å; V71-V84 HydrophobicContact CG2-CG2 3.21Å; E72-V84 CarbonylContact O-C 3.52Å; E72-V84 WeakPolarHBondContact O-CA 3.41Å; Y73-V84 HydrophobicContact CD1-CB 4.12Å; Y73-V84 HydrophobicContact CD1-CG2 3.92Å; Y73-V84 HydrophobicContact CE1-CB 4.13Å; Y73-V84 HydrophobicContact CE1-CG2 3.7Å; V84-Y102 HydrophobicContact CG1-CE1 4.2Å
85V97.3Very high95.4Very high4 Ų473.3 Ų73.32%0.02440%0.399CS..EExtended strand (participates in β ladder)trans-125.5137.8-176.3-177.90000108.9R24 V25 R26 V71 E72 L74R24-V85 HydrophobicContact CB-CG1 3.72Å; R24-V85 HydrophobicContact CG-CG1 3.86Å; V25-V85 CarbonylContact O-C 3.56Å; V25-V85 WeakPolarHBondContact O-CA 3.48Å; R26-V85 HydrophobicContact CB-CG2 3.93Å; R26-V85 HydrophobicContact CG-CG2 3.92Å; V71-V85 WeakPolarHBondContact CA-O 3.2Å; E72-V85 HydrophobicContact CB-CB 4.39Å; E72-V85 PolarHBondContact N-O 3.45Å; E72-V85 PolarHBondContact O-N 2.85Å; L74-V85 HydrophobicContact CD1-CB 4.46Å; L74-V85 HydrophobicContact CD1-CG2 3.66Å
86V97.2Very high95.2Very high3 Ų374.6 Ų74.62%0.01841%0.406CS..EExtended strand (participates in β ladder)trans-133136.2176.6-176.50000107.9R24 V25 V65 N68 V71 Y88 I100R24-V86 CarbonylContact C-O 3.58Å; R24-V86 WeakPolarHBondContact CA-O 3.37Å; V25-V86 PolarHBondContact N-O 3.38Å; V25-V86 PolarHBondContact O-N 3.37Å; V65-V86 HydrophobicContact CB-CG2 4.28Å; V65-V86 HydrophobicContact CG1-CG2 3.98Å; V65-V86 HydrophobicContact CG2-CG2 3.85Å; N68-V86 HydrophobicContact CB-CG1 4.48Å; N68-V86 WeakPolarHBondContact ND2-CG1 3.25Å; V71-V86 HydrophobicContact CB-CG2 4.34Å; V71-V86 HydrophobicContact CG2-CG2 4.11Å; V86-Y88 PolarHBondContact O-N 2.89Å; V86-I100 HydrophobicContact CB-CD1 4.41Å
87P96.7Very high95.2Very high44 Ų4471.7 Ų71.729%0.28639%0.391SS..EExtended strand (participates in β ladder)trans-54.6134.9170.2-26.235.3000111R70 E89R70-P87 HydrophobicContact CB-CG 3.85Å; R70-P87 WeakPolarHBondContact O-CD 3.36Å; P87-E89 PolarHBondContact O-N 3.48Å
88Y96.4Very high95.2Very high21 Ų2162.1 Ų62.18%0.08236%0.357CS..  trans-69.9124.2173.4172.7-94.3000109V15 T18 P19 T23 V25 V86 P90 L125V15-Y88 HydrophobicContact CG1-CE2 4.44Å; V15-Y88 VanDerWaalsContact CG2-OH 3.25Å; V15-Y88 WeakPolarHBondContact CG2-OH 3.48Å; T18-Y88 HydrophobicContact CG2-CE1 4.45Å; P19-Y88 HydrophobicContact CG-CD1 4.24Å; P19-Y88 HydrophobicContact CG-CE1 4.04Å; T23-Y88 HydrophobicContact CG2-CG 4.32Å; T23-Y88 WeakPolarHBondContact O-CB 3.49Å; T23-Y88 PolarHBondContact O-N 2.93Å; V25-Y88 HydrophobicContact CG2-CD2 4.15Å; V86-Y88 PolarHBondContact O-N 2.89Å; Y88-P90 HydrophobicContact CE1-CG 4.45Å; Y88-L125 HydrophobicContact CD2-CD1 4.18Å; Y88-L125 HydrophobicContact CG-CD1 4.45Å
89E94Very high95.2Very high75 Ų7558 Ų5835%0.3534%0.338SS..  trans-105133.6171.5-62.6-59.9143.100108.9R70 P87 T98R70-E89 IonicContact CZ-OE1 3.94Å; R70-E89 VanDerWaalsContact CZ-OE1 3.28Å; R70-E89 IonicContact NE-OE1 2.92Å; R70-E89 IonicContact NH2-OE1 3.11Å; R70-E89 PolarHBondContact NH2-OE1 2.65Å; R70-E89 IonicContact NH2-OE2 3.6Å; R70-E89 PolarHBondContact NH2-OE2 2.97Å; P87-E89 PolarHBondContact O-N 3.48Å; E89-T98 HydrophobicContact CB-CG2 4.42Å; E89-T98 WeakPolarHBondContact O-CB 3.22Å; E89-T98 VanDerWaalsContact O-CG2 3.3Å; E89-T98 WeakPolarHBondContact O-CG2 3.4Å; E89-T98 PolarHBondContact O-OG1 3.47Å
90P93Very high95.3Very high72 Ų7255.3 Ų55.347%0.46832%0.32SS..PPolyproline II helixtrans-55.4152.1168.8-23.834.4000111.4T18 Y88T18-P90 HydrophobicContact CG2-CG 4.4Å; Y88-P90 HydrophobicContact CE1-CG 4.45Å
91P93.9Very high95.3Very high41 Ų4152.3 Ų52.327%0.26631%0.308SS..PPolyproline II helixtrans-54143.8175.7-26.435.3000112.1S95P91-S95 WeakPolarHBondContact CB-O 3.48Å
92E92.6Very high95.3Very high167 Ų16749.9 Ų49.978%0.7830%0.299SS*.PPolyproline II helixtrans-60.1154.1172.1-65.1-178.3-176.100110.6G94 S95E92-G94 PolarHBondContact O-N 3.2Å; E92-S95 WeakPolarHBondContact O-CB 3.37Å; E92-S95 PolarHBondContact O-N 3.25Å
93V93.1Very high95.3Very high161 Ų16150 Ų5098%0.97630%0.3SS*.THydrogen-bonded Turntrans-58.1117.7178.9179.80000109.7
94G92.8Very high95.3Very high91 Ų9149.4 Ų49.494%0.93830%0.296SS*.THydrogen-bonded Turntrans97.1-3.4-176.300000114.8E92E92-G94 PolarHBondContact O-N 3.2Å
95S93.2Very high95.2Very high56 Ų5650.3 Ų50.339%0.39230%0.3SS..  trans-101.3147.8168.5-169.30000110.6P91 E92 C97P91-S95 WeakPolarHBondContact CB-O 3.48Å; E92-S95 WeakPolarHBondContact O-CB 3.37Å; E92-S95 PolarHBondContact O-N 3.25Å; S95-C97 PolarHBondContact OG-N 3.02Å; S95-C97 PolarHBondContact OG-O 3.46Å
96D93.2Very high95.2Very high103 Ų10350.1 Ų50.155%0.55130%0.299SS*.SBendtrans-96.4-11.3172.751.411.4000113W14W14-D96 HydrophobicContact CH2-CB 4.3Å; W14-D96 VanDerWaalsContact CH2-OD1 3.29Å; W14-D96 WeakPolarHBondContact CH2-OD1 3.37Å; W14-D96 WeakPolarHBondContact CH2-OD2 3.32Å; W14-D96 HydrophobicContact CZ3-CB 3.84Å; W14-D96 VanDerWaalsContact CZ3-OD2 3.25Å; W14-D96 WeakPolarHBondContact CZ3-OD2 3.29Å
97C94.5Very high95.2Very high6 Ų651.7 Ų51.74%0.04131%0.307CS..SBendtrans-140.8160.7-176.362.80000112.7Q12 L13 W14 S95Q12-C97 HydrophobicContact CB-CB 4.47Å; L13-C97 WeakPolarHBondContact O-CA 3.34Å; L13-C97 VanDerWaalsContact O-CB 3.29Å; L13-C97 WeakPolarHBondContact O-CB 3.33Å; W14-C97 HydrophobicContact CD2-CB 3.8Å; W14-C97 HydrophobicContact CE3-CB 4.19Å; W14-C97 HydrophobicContact CG-CB 4.16Å; W14-C97 HydrophobicContact CZ2-CB 4.11Å; S95-C97 PolarHBondContact OG-N 3.02Å; S95-C97 PolarHBondContact OG-O 3.46Å
98T94.8Very high95.3Very high22 Ų2250.3 Ų50.314%0.13530%0.299CS..EExtended strand (participates in β ladder)trans-103.9132.4175.2-54.70000109.3L13 E89L13-T98 WeakPolarHBondContact CB-O 3.49Å; L13-T98 PolarHBondContact N-O 3.38Å; L13-T98 PolarHBondContact O-N 3.23Å; L13-T98 VanDerWaalsContact O-N 3.11Å; E89-T98 HydrophobicContact CB-CG2 4.42Å; E89-T98 WeakPolarHBondContact O-CB 3.22Å; E89-T98 VanDerWaalsContact O-CG2 3.3Å; E89-T98 WeakPolarHBondContact O-CG2 3.4Å; E89-T98 PolarHBondContact O-OG1 3.47Å
99T96Very high95.3Very high60 Ų6052.7 Ų52.737%0.36832%0.319SS..EExtended strand (participates in β ladder)trans-102.9131.4-179.1-60.90000111.5P10P10-T99 HydrophobicContact CB-CG2 3.8Å
100I96.9Very high95.5Very high13 Ų1350 Ų507%0.06731%0.308CS..EExtended strand (participates in β ladder)trans-112.9131.6169.5-57.9-174.7000109.6V11 L13 V25 V65 V86 Y102V11-I100 PolarHBondContact N-O 3.15Å; V11-I100 PolarHBondContact O-N 3.19Å; L13-I100 HydrophobicContact CD1-CD1 3.57Å; L13-I100 HydrophobicContact CD1-CG1 3.89Å; L13-I100 HydrophobicContact CG-CD1 4.47Å; L13-I100 HydrophobicContact CG-CG1 4.47Å; V25-I100 HydrophobicContact CB-CD1 3.97Å; V25-I100 HydrophobicContact CG1-CD1 3.89Å; V25-I100 HydrophobicContact CG2-CD1 4.29Å; V65-I100 HydrophobicContact CG1-CG2 3.99Å; V65-I100 HydrophobicContact CG2-CG2 4.2Å; V86-I100 HydrophobicContact CB-CD1 4.41Å; I100-Y102 HydrophobicContact CB-CD2 4.44Å; I100-Y102 HydrophobicContact CB-CE2 3.82Å; I100-Y102 HydrophobicContact CG2-CD1 4.27Å; I100-Y102 HydrophobicContact CG2-CD2 4.1Å; I100-Y102 HydrophobicContact CG2-CE1 3.8Å; I100-Y102 HydrophobicContact CG2-CE2 3.61Å; I100-Y102 HydrophobicContact CG2-CG 4.42Å; I100-Y102 VanDerWaalsContact CG2-CZ 3.45Å
101H96.9Very high95.7Very high78 Ų7854.3 Ų54.336%0.36132%0.324SS..EExtended strand (participates in β ladder)trans-93.9105179.9-63117.4000110.8T8 V65 E66T8-H101 HydrophobicContact CG2-CB 3.61Å; V65-H101 WeakPolarHBondContact CA-O 3.19Å; E66-H101 HydrophobicContact CB-CB 4.14Å; E66-H101 PolarHBondContact N-O 2.92Å
102Y97.5Very high95.7Very high1 Ų155 Ų550%0.00434%0.338CS..EExtended strand (participates in β ladder)trans-98142.2178.9-66.9-72.7000112.4C9 V11 A27 I63 R64 V65 V84 I100 I123C9-Y102 WeakPolarHBondContact CA-O 3.49Å; C9-Y102 VanDerWaalsContact CB-O 3.32Å; C9-Y102 WeakPolarHBondContact CB-O 3.4Å; C9-Y102 PolarHBondContact N-O 2.95Å; C9-Y102 PolarHBondContact O-N 2.96Å; V11-Y102 HydrophobicContact CB-CD2 3.94Å; V11-Y102 HydrophobicContact CB-CE2 3.98Å; V11-Y102 HydrophobicContact CG2-CD2 3.69Å; V11-Y102 HydrophobicContact CG2-CE2 4.15Å; A27-Y102 HydrophobicContact CB-CD1 4.39Å; A27-Y102 HydrophobicContact CB-CE1 3.52Å; I63-Y102 HydrophobicContact CG2-CD1 3.58Å; I63-Y102 HydrophobicContact CG2-CE1 4.23Å; I63-Y102 HydrophobicContact CG2-CG 4.38Å; R64-Y102 CarbonylContact O-C 3.58Å; R64-Y102 WeakPolarHBondContact O-CA 3.06Å; V65-Y102 HydrophobicContact CG2-CD1 3.76Å; V65-Y102 HydrophobicContact CG2-CE1 3.64Å; V84-Y102 HydrophobicContact CG1-CE1 4.2Å; I100-Y102 HydrophobicContact CB-CD2 4.44Å; I100-Y102 HydrophobicContact CB-CE2 3.82Å; I100-Y102 HydrophobicContact CG2-CD1 4.27Å; I100-Y102 HydrophobicContact CG2-CD2 4.1Å; I100-Y102 HydrophobicContact CG2-CE1 3.8Å; I100-Y102 HydrophobicContact CG2-CE2 3.61Å; I100-Y102 HydrophobicContact CG2-CG 4.42Å; I100-Y102 VanDerWaalsContact CG2-CZ 3.45Å; Y102-I123 HydrophobicContact CE2-CD1 4.07Å
103N96.5Very high95.9Very high19 Ų1947.2 Ų47.210%0.10230%0.302CS..EExtended strand (participates in β ladder)trans-119.6135.1173.2-78.8-30.2000110.3K7 T8 I63 R64 E66 M105K7-N103 PolarHBondContact O-OD1 3.18Å; T8-N103 WeakPolarHBondContact CA-OD1 3.47Å; T8-N103 PolarHBondContact N-OD1 2.9Å; I63-N103 CarbonylContact C-O 3.48Å; I63-N103 WeakPolarHBondContact CA-O 3.44Å; R64-N103 HydrophobicContact CB-CB 4.1Å; R64-N103 PolarHBondContact N-O 3.37Å; R64-N103 PolarHBondContact O-N 3.31Å; E66-N103 PolarHBondContact OE2-ND2 2.73Å; N103-M105 HydrophobicContact CB-SD 4.06Å
104Y97.5Very high96.1Very high0 Ų039.5 Ų39.50%026%0.256CS..EExtended strand (participates in β ladder)trans-107.5120.6175.5-66.3-99.1000110.1M1 A6 L62 I63 T121 V140 V142M1-Y104 HydrophobicContact CE-CD2 4.14Å; M1-Y104 HydrophobicContact CE-CE2 3.32Å; A6-Y104 PolarHBondContact N-O 3.12Å; L62-Y104 HydrophobicContact CD2-CD1 4.34Å; L62-Y104 HydrophobicContact CG-CD1 4.23Å; L62-Y104 WeakPolarHBondContact O-CA 3.27Å; I63-Y104 HydrophobicContact CD1-CE1 4.28Å; I63-Y104 HydrophobicContact CG1-CD1 4.24Å; I63-Y104 HydrophobicContact CG1-CE1 3.83Å; Y104-T121 WeakPolarHBondContact CE1-OG1 3.46Å; Y104-T121 PolarHBondContact OH-OG1 2.79Å; Y104-V140 HydrophobicContact CD1-CG1 4.01Å; Y104-V140 HydrophobicContact CD2-CG1 4.38Å; Y104-V140 HydrophobicContact CE1-CB 4.21Å; Y104-V140 HydrophobicContact CE1-CG1 3.78Å; Y104-V140 HydrophobicContact CE1-CG2 4.13Å; Y104-V140 HydrophobicContact CE2-CG1 4.21Å; Y104-V140 HydrophobicContact CG-CG1 4.31Å; Y104-V142 HydrophobicContact CD1-CG2 4.17Å; Y104-V142 HydrophobicContact CG-CG2 3.94Å
105M96.2Very high96.3Very high19 Ų1939.2 Ų39.29%0.09423%0.233CC..  trans-102.618.8-164.4-56.1-54.7-71.900114.1A6 R43 L62 R64 N103A6-M105 HydrophobicContact CB-CE 3.94Å; A6-M105 HydrophobicContact CB-SD 3.85Å; R43-M105 HydrophobicContact CG-CB 4.41Å; R43-M105 PolarHBondContact NE-O 2.82Å; L62-M105 PolarHBondContact O-N 3.14Å; R64-M105 HydrophobicContact CB-CG 4.38Å; R64-M105 HydrophobicContact CG-CG 3.73Å; N103-M105 HydrophobicContact CB-SD 4.06Å
106C97Very high96.5Very high0 Ų046.5 Ų46.50%025%0.251CS..SBendtrans-152142.3171.5-158.40000110.7L5 R43 C44 H47 L62 C110 M114 V142L5-C106 VanDerWaalsContact CD1-CA 3.41Å; R43-C106 HydrophobicContact CB-CB 4.34Å; R43-C106 HydrophobicContact CG-CB 4.1Å; C44-C106 PolarHBondContact N-SG 3.45Å; C44-C106 VanDerWaalsContact N-SG 3.44Å; H47-C106 PolarHBondContact ND1-SG 2.88Å; H47-C106 VanDerWaalsContact ND1-SG 3.42Å; L62-C106 HydrophobicContact CD1-CB 3.54Å; C106-C110 WeakPolarHBondContact SG-CB 3.32Å; C106-M114 HydrophobicContact CB-CE 4.25Å; C106-M114 WeakPolarHBondContact O-CE 3.27Å; C106-V142 WeakPolarHBondContact O-CB 3.5Å; C106-V142 WeakPolarHBondContact O-CG1 3.26Å
107N97.8Very high96.6Very high37 Ų3743.1 Ų43.120%0.19823%0.231CC..  trans-72.8146.8173.7-70.4-48.7000110.5S109 C110 M114N107-S109 PolarHBondContact O-N 3.13Å; N107-S109 VanDerWaalsContact O-N 3.1Å; N107-C110 WeakPolarHBondContact O-CB 3.32Å; N107-C110 PolarHBondContact O-N 3.34Å; N107-M114 VanDerWaalsContact C-CE 3.5Å; N107-M114 WeakPolarHBondContact O-CE 3.35Å
108S97.7Very high96.8Very high14 Ų1444.8 Ų44.810%0.09824%0.242CC..THydrogen-bonded Turntrans-59.5-24.8174.8-61.50000112.1N115 R116 V142S108-N115 PolarHBondContact O-N 3.41Å; S108-R116 VanDerWaalsContact O-CA 3.27Å; S108-R116 WeakPolarHBondContact O-CA 3.42Å; S108-R116 PolarHBondContact O-N 3.14Å; S108-V142 PolarHBondContact N-O 2.92Å; S108-V142 PolarHBondContact OG-N 2.66Å; S108-V142 PolarHBondContact OG-O 2.92Å
109S97.4Very high97Very high72 Ų7243.7 Ų43.750%0.50324%0.235SC..THydrogen-bonded Turntrans-85.2-6.4177.958.10000115.4N107 M111N107-S109 PolarHBondContact O-N 3.13Å; N107-S109 VanDerWaalsContact O-N 3.1Å; S109-M111 PolarHBondContact O-N 3.11Å
110C97.4Very high97.1Very high18 Ų1842.9 Ų42.912%0.12223%0.228CC..  trans-63124.2-174.4-77.40000112.1C44 H47 C106 N107 G113 N115C44-C110 HydrophobicContact CB-CB 3.94Å; H47-C110 PolarHBondContact CE1-SG 2.86Å; C106-C110 WeakPolarHBondContact SG-CB 3.32Å; N107-C110 WeakPolarHBondContact O-CB 3.32Å; N107-C110 PolarHBondContact O-N 3.34Å; C110-G113 PolarHBondContact O-N 3.48Å; C110-N115 WeakPolarHBondContact O-CA 3.05Å; C110-N115 PolarHBondContact O-N 3.15Å
111M96.8Very high97.1Very high163 Ų16342.2 Ų42.280%0.80323%0.225SC*.THydrogen-bonded Turntrans-64.4137.3172.6-170.4-178.4-65.500110.2C44 S109 G113C44-M111 WeakPolarHBondContact CB-O 3.5Å; S109-M111 PolarHBondContact O-N 3.11Å; M111-G113 PolarHBondContact O-N 3.3Å
112G94.8Very high97.2Very high54 Ų5439.5 Ų39.556%0.55721%0.213SC*.THydrogen-bonded Turntrans74.80.1-175.900000115.3P45P45-G112 WeakPolarHBondContact CD-O 3.4Å
113G95.7Very high97.3Very high4 Ų440.3 Ų40.34%0.04122%0.217CC..THydrogen-bonded Turntrans-116.1-119.6169.700000110.2Y31 C110 M111 N115 R117Y31-G113 PolarHBondContact OH-O 3.5Å; C110-G113 PolarHBondContact O-N 3.48Å; M111-G113 PolarHBondContact O-N 3.3Å; G113-N115 VanDerWaalsContact C-N 3.29Å; G113-N115 PolarHBondContact O-N 2.92Å; G113-R117 PolarHBondContact O-NH2 2.81Å
114M97.3Very high97.3Very high0 Ų040 Ų400%022%0.216CC..THydrogen-bonded Turntrans-63.3-31.2176.1-73.6-176.1-85.400113.6Y31 V41 L62 C106 N107 R116 R117 I119 V142Y31-M114 HydrophobicContact CE1-CB 4.34Å; Y31-M114 HydrophobicContact CE1-CG 4.14Å; V41-M114 HydrophobicContact CG1-CG 4.32Å; L62-M114 HydrophobicContact CD1-CE 3.94Å; L62-M114 HydrophobicContact CD2-CE 4.08Å; L62-M114 HydrophobicContact CD2-SD 4.11Å; C106-M114 HydrophobicContact CB-CE 4.25Å; C106-M114 WeakPolarHBondContact O-CE 3.27Å; N107-M114 VanDerWaalsContact C-CE 3.5Å; N107-M114 WeakPolarHBondContact O-CE 3.35Å; M114-R116 PolarHBondContact O-N 3.2Å; M114-R117 WeakPolarHBondContact O-CB 3.5Å; M114-R117 VanDerWaalsContact O-CG 3.27Å; M114-R117 WeakPolarHBondContact O-CG 3.2Å; M114-R117 PolarHBondContact O-N 2.95Å; M114-R117 PolarHBondContact O-NE 2.9Å; M114-I119 HydrophobicContact CG-CG2 4.09Å; M114-I119 HydrophobicContact SD-CB 4.49Å; M114-I119 HydrophobicContact SD-CD1 3.69Å; M114-I119 HydrophobicContact SD-CG1 3.98Å; M114-I119 HydrophobicContact SD-CG2 3.7Å; M114-V142 HydrophobicContact CE-CG2 4.37Å
115N97.3Very high97.4Very high84 Ų8441.5 Ų41.545%0.44922%0.224SC..THydrogen-bonded Turntrans47.751.4174.3-164.933.4000114.7S108 C110 G113 R117S108-N115 PolarHBondContact O-N 3.41Å; C110-N115 WeakPolarHBondContact O-CA 3.05Å; C110-N115 PolarHBondContact O-N 3.15Å; G113-N115 VanDerWaalsContact C-N 3.29Å; G113-N115 PolarHBondContact O-N 2.92Å; N115-R117 PolarHBondContact O-N 3.01Å
116R96.5Very high97.4Very high209 Ų20941.2 Ų41.279%0.78922%0.222SC*.THydrogen-bonded Turntrans64.113.7-178.4-52.3179.2-179.7-171.8-0.6115.1S108 M114S108-R116 VanDerWaalsContact O-CA 3.27Å; S108-R116 WeakPolarHBondContact O-CA 3.42Å; S108-R116 PolarHBondContact O-N 3.14Å; M114-R116 PolarHBondContact O-N 3.2Å
117R97.3Very high97.4Very high33 Ų3342.8 Ų42.813%0.12523%0.231CC..  trans-85.9125.3174.3-58.7173.2-71.4174.5-0.1109.7Y31 H36 E39 G113 M114 N115Y31-R117 HydrophobicContact CD1-CB 3.67Å; Y31-R117 HydrophobicContact CE1-CB 3.76Å; Y31-R117 PolarHBondContact OH-NH2 2.88Å; H36-R117 WeakPolarHBondContact CD2-CD 3.43Å; H36-R117 PolarHBondContact ND1-NH1 2.8Å; H36-R117 WeakPolarHBondContact NE2-CD 3.39Å; E39-R117 IonicContact OE1-CZ 2.65Å; E39-R117 VanDerWaalsContact OE1-CZ 3.29Å; E39-R117 IonicContact OE1-NH1 3.74Å; E39-R117 PolarHBondContact OE1-NH1 3.49Å; E39-R117 IonicContact OE1-NH2 3.4Å; E39-R117 PolarHBondContact OE1-NH2 3Å; E39-R117 IonicContact OE2-CZ 3.54Å; E39-R117 IonicContact OE2-NH1 3.55Å; E39-R117 PolarHBondContact OE2-NH1 3.05Å; E39-R117 IonicContact OE2-NH2 3.94Å; G113-R117 PolarHBondContact O-NH2 2.81Å; M114-R117 WeakPolarHBondContact O-CB 3.5Å; M114-R117 VanDerWaalsContact O-CG 3.27Å; M114-R117 WeakPolarHBondContact O-CG 3.2Å; M114-R117 PolarHBondContact O-N 2.95Å; M114-R117 PolarHBondContact O-NE 2.9Å; N115-R117 PolarHBondContact O-N 3.01Å
118P97.6Very high97.2Very high40 Ų4045.1 Ų45.126%0.2625%0.25SC..  trans-66.1147.1179.5-1930.8000112.3K32 E139K32-P118 HydrophobicContact CB-CB 4.15Å; K32-P118 HydrophobicContact CD-CB 4.34Å; K32-P118 PolarHBondContact N-O 3.07Å; P118-E139 WeakPolarHBondContact CB-OE1 3.18Å
119I98.3Very high97Very high0 Ų049 Ų490%028%0.277CS..EExtended strand (participates in β ladder)trans-121.6152.9178.860.7162.9000111.8A29 I30 Y31 V41 L62 M114 E139 V140A29-I119 HydrophobicContact CB-CD1 4.42Å; I30-I119 CarbonylContact O-C 3.54Å; I30-I119 WeakPolarHBondContact O-CA 3.49Å; I30-I119 WeakPolarHBondContact O-CB 3.47Å; Y31-I119 HydrophobicContact CD1-CG2 3.7Å; Y31-I119 HydrophobicContact CE1-CG2 3.89Å; V41-I119 HydrophobicContact CG1-CG2 4.25Å; V41-I119 HydrophobicContact CG2-CG2 4.17Å; L62-I119 HydrophobicContact CD2-CD1 3.62Å; M114-I119 HydrophobicContact CG-CG2 4.09Å; M114-I119 HydrophobicContact SD-CB 4.49Å; M114-I119 HydrophobicContact SD-CD1 3.69Å; M114-I119 HydrophobicContact SD-CG1 3.98Å; M114-I119 HydrophobicContact SD-CG2 3.7Å; I119-E139 WeakPolarHBondContact O-CA 3.46Å; I119-V140 HydrophobicContact CD1-CB 4.12Å; I119-V140 HydrophobicContact CG1-CB 4.15Å; I119-V140 VanDerWaalsContact CG1-O 3.27Å; I119-V140 WeakPolarHBondContact CG1-O 3.3Å; I119-V140 PolarHBondContact O-N 3.29Å; I119-V140 VanDerWaalsContact O-N 3.07Å
120L98.3Very high96.7Very high42 Ų4246.9 Ų46.922%0.2227%0.266CS..EExtended strand (participates in β ladder)trans-108.2132.8165.2-65.6171.8000108.4A29 I30 K32 E139A29-L120 WeakPolarHBondContact CA-O 3.27Å; I30-L120 HydrophobicContact CG1-CB 4.03Å; I30-L120 PolarHBondContact N-O 2.8Å; I30-L120 PolarHBondContact O-N 3.11Å; K32-L120 HydrophobicContact CB-CD1 4.43Å; K32-L120 HydrophobicContact CB-CG 4.06Å; K32-L120 HydrophobicContact CD-CD2 4.37Å; K32-L120 HydrophobicContact CG-CD1 4.26Å; K32-L120 HydrophobicContact CG-CD2 4.43Å; K32-L120 HydrophobicContact CG-CG 4.16Å; L120-E139 HydrophobicContact CD2-CB 3.97Å
121T98.4Very high96.6Very high0 Ų050.6 Ų50.60%029%0.285CS..EExtended strand (participates in β ladder)trans-89.4121.8161.1-63.50000107.7A27 M28 I63 Y104 I123 S137 F138 V140A27-T121 HydrophobicContact CB-CG2 4.49Å; M28-T121 CarbonylContact O-C 3.59Å; M28-T121 WeakPolarHBondContact O-CA 3.39Å; I63-T121 HydrophobicContact CD1-CG2 4Å; Y104-T121 WeakPolarHBondContact CE1-OG1 3.46Å; Y104-T121 PolarHBondContact OH-OG1 2.79Å; T121-I123 HydrophobicContact CG2-CG1 4.29Å; T121-S137 CarbonylContact O-C 3.57Å; T121-S137 WeakPolarHBondContact O-CA 3.45Å; T121-S137 WeakPolarHBondContact O-CB 3.17Å; T121-F138 HydrophobicContact CG2-CE1 4.34Å; T121-F138 HydrophobicContact CG2-CE2 4.41Å; T121-F138 HydrophobicContact CG2-CZ 3.93Å; T121-F138 PolarHBondContact N-O 2.93Å; T121-F138 PolarHBondContact O-N 2.8Å; T121-V140 VanDerWaalsContact OG1-CG2 3.3Å; T121-V140 WeakPolarHBondContact OG1-CG2 3.46Å
122I98.3Very high96.6Very high21 Ų2147.9 Ų47.911%0.10827%0.273CS..EExtended strand (participates in β ladder)trans-100.4128.3173.3-59.7173.5000107.1A27 M28 I30 T124 R135A27-I122 WeakPolarHBondContact CA-O 3.34Å; M28-I122 HydrophobicContact CG-CB 3.83Å; M28-I122 HydrophobicContact CG-CG2 4.48Å; M28-I122 PolarHBondContact N-O 3.27Å; M28-I122 PolarHBondContact O-N 2.97Å; I30-I122 HydrophobicContact CD1-CD1 3.58Å; I30-I122 HydrophobicContact CD1-CG1 4.48Å; I30-I122 HydrophobicContact CG1-CD1 3.89Å; I30-I122 HydrophobicContact CG1-CG1 4.41Å; I30-I122 HydrophobicContact CG2-CD1 4.36Å; I122-T124 HydrophobicContact CG2-CG2 4.06Å; I122-R135 HydrophobicContact CG2-CG 3.86Å
123I98.4Very high96.7Very high17 Ų1749.1 Ų49.19%0.08727%0.267CS..EExtended strand (participates in β ladder)trans-110.5122171.7-59.6-175000107.9V11 L13 V25 R26 A27 Y102 T121 R135 N136 F138V11-I123 HydrophobicContact CG1-CD1 3.85Å; L13-I123 HydrophobicContact CD2-CG2 4.35Å; V25-I123 HydrophobicContact CG1-CG2 3.6Å; R26-I123 CarbonylContact O-C 3.58Å; R26-I123 VanDerWaalsContact O-CA 3.29Å; R26-I123 WeakPolarHBondContact O-CA 3.45Å; A27-I123 HydrophobicContact CB-CG1 4.45Å; Y102-I123 HydrophobicContact CE2-CD1 4.07Å; T121-I123 HydrophobicContact CG2-CG1 4.29Å; I123-R135 WeakPolarHBondContact O-CA 3.46Å; I123-N136 PolarHBondContact N-O 2.7Å; I123-N136 PolarHBondContact O-N 2.61Å; I123-N136 VanDerWaalsContact O-O 3.14Å; I123-F138 HydrophobicContact CD1-CE1 3.72Å; I123-F138 HydrophobicContact CD1-CZ 4.35Å; I123-F138 HydrophobicContact CG1-CE1 4.23Å
124T98.2Very high96.7Very high13 Ų1350.3 Ų50.38%0.0828%0.278CS..EExtended strand (participates in β ladder)trans-114135.7174.547.80000110.3V25 R26 I122 E126 L132 G134 R135V25-T124 CarbonylContact C-O 3.51Å; V25-T124 WeakPolarHBondContact CA-O 3.38Å; R26-T124 WeakPolarHBondContact CB-OG1 3.19Å; R26-T124 PolarHBondContact N-O 3.39Å; R26-T124 PolarHBondContact O-N 2.9Å; I122-T124 HydrophobicContact CG2-CG2 4.06Å; T124-E126 PolarHBondContact OG1-OE1 2.9Å; T124-L132 HydrophobicContact CG2-CD1 3.47Å; T124-L132 VanDerWaalsContact CG2-CD1 3.47Å; T124-G134 CarbonylContact C-O 3.53Å; T124-G134 WeakPolarHBondContact CA-O 3.3Å; T124-R135 HydrophobicContact CG2-CB 4.2Å; T124-R135 HydrophobicContact CG2-CG 3.82Å
125L97.9Very high96.8Very high32 Ų3258.9 Ų58.917%0.16831%0.311CS..EExtended strand (participates in β ladder)trans-92.3124.8165-169.372.3000106.9P19 T23 V25 Y88 L133 G134P19-L125 HydrophobicContact CB-CD2 4.29Å; P19-L125 HydrophobicContact CG-CD2 3.73Å; T23-L125 HydrophobicContact CG2-CD1 3.3Å; T23-L125 HydrophobicContact CG2-CD2 4.22Å; T23-L125 HydrophobicContact CG2-CG 3.58Å; V25-L125 HydrophobicContact CG2-CD1 3.88Å; Y88-L125 HydrophobicContact CD2-CD1 4.18Å; Y88-L125 HydrophobicContact CG-CD1 4.45Å; L125-L133 HydrophobicContact CB-CB 4.31Å; L125-L133 HydrophobicContact CD2-CB 4.07Å; L125-L133 HydrophobicContact CG-CB 4.15Å; L125-L133 HydrophobicContact CG-CD1 4.45Å; L125-L133 WeakPolarHBondContact O-CA 3.48Å; L125-L133 PolarHBondContact O-N 3.45Å; L125-G134 PolarHBondContact N-O 3.05Å; L125-G134 PolarHBondContact O-N 3.22Å
126E98Very high96.8Very high13 Ų1360.5 Ų60.56%0.06132%0.32CS..EExtended strand (participates in β ladder)trans-128145.4-174.3-68.9167.4-151.500110.5T23 R24 R26 T124 N131T23-E126 CarbonylContact C-O 3.59Å; T23-E126 VanDerWaalsContact CA-O 3.28Å; T23-E126 WeakPolarHBondContact CA-O 3.38Å; T23-E126 WeakPolarHBondContact CG2-O 3.46Å; R24-E126 HydrophobicContact CG-CB 3.76Å; R24-E126 IonicContact CZ-OE2 3.73Å; R24-E126 PolarHBondContact N-O 2.94Å; R24-E126 IonicContact NE-OE2 3.05Å; R24-E126 PolarHBondContact NE-OE2 2.96Å; R24-E126 IonicContact NH2-OE2 2.61Å; R24-E126 PolarHBondContact NH2-OE2 2.94Å; R24-E126 PolarHBondContact O-N 2.97Å; R26-E126 WeakPolarHBondContact CB-OE1 3.48Å; R26-E126 VanDerWaalsContact CD-OE1 3.3Å; R26-E126 WeakPolarHBondContact CD-OE1 3.38Å; R26-E126 IonicContact CZ-OE1 3.55Å; R26-E126 IonicContact CZ-OE2 2.97Å; R26-E126 IonicContact NE-OE1 3.76Å; R26-E126 PolarHBondContact NE-OE1 2.9Å; R26-E126 IonicContact NE-OE2 3.66Å; R26-E126 PolarHBondContact NE-OE2 3.3Å; R26-E126 IonicContact NH2-OE1 3.84Å; R26-E126 IonicContact NH2-OE2 2.89Å; R26-E126 PolarHBondContact NH2-OE2 3.4Å; T124-E126 PolarHBondContact OG1-OE1 2.9Å; E126-N131 CarbonylContact C-O 3.54Å; E126-N131 WeakPolarHBondContact CA-O 3.33Å
127D96.1Very high96.8Very high33 Ų3353.3 Ų53.318%0.17630%0.301CS..  trans-73.3179.716973.311000111.7S129 G130 N131 L133D127-S129 PolarHBondContact O-N 2.84Å; D127-S129 VanDerWaalsContact OD1-CA 3.31Å; D127-S129 WeakPolarHBondContact OD1-CA 3.32Å; D127-S129 WeakPolarHBondContact OD1-CB 3.18Å; D127-S129 PolarHBondContact OD1-N 3.28Å; D127-G130 PolarHBondContact O-N 3.05Å; D127-G130 PolarHBondContact OD1-N 2.93Å; D127-N131 PolarHBondContact N-O 3.34Å; D127-N131 PolarHBondContact OD1-N 2.67Å; D127-N131 PolarHBondContact OD1-ND2 3.35Å; D127-N131 WeakPolarHBondContact OD2-CB 3.45Å; D127-N131 PolarHBondContact OD2-ND2 3.2Å; D127-L133 HydrophobicContact CB-CD1 4.13Å; D127-L133 HydrophobicContact CB-CD2 4.44Å; D127-L133 HydrophobicContact CB-CG 4.33Å
128S94.2Very high96.8Very high85 Ų8554.2 Ų54.259%0.59431%0.306SS*.THydrogen-bonded Turntrans-63.3-22.2178.557.30000113.9
129S93.7Very high96.8Very high97 Ų9755.4 Ų55.468%0.67831%0.308SS*.THydrogen-bonded Turntrans-87.3-9.1175.8-58.80000112.5D127D127-S129 PolarHBondContact O-N 2.84Å; D127-S129 VanDerWaalsContact OD1-CA 3.31Å; D127-S129 WeakPolarHBondContact OD1-CA 3.32Å; D127-S129 WeakPolarHBondContact OD1-CB 3.18Å; D127-S129 PolarHBondContact OD1-N 3.28Å
130G90.4Very high96.8Very high27 Ų2755.4 Ų55.428%0.27831%0.308SS..  trans86.413.1-175.400000114.9D127D127-G130 PolarHBondContact O-N 3.05Å; D127-G130 PolarHBondContact OD1-N 2.93Å
131N95.3Very high96.8Very high96 Ų9658.2 Ų58.251%0.51332%0.316SS..  trans-73.4143.2172.6-54.7-59.4000110.3E126 D127 L133E126-N131 CarbonylContact C-O 3.54Å; E126-N131 WeakPolarHBondContact CA-O 3.33Å; D127-N131 PolarHBondContact N-O 3.34Å; D127-N131 PolarHBondContact OD1-N 2.67Å; D127-N131 PolarHBondContact OD1-ND2 3.35Å; D127-N131 WeakPolarHBondContact OD2-CB 3.45Å; D127-N131 PolarHBondContact OD2-ND2 3.2Å; N131-L133 PolarHBondContact O-N 3.39Å
132L97Very high96.8Very high105 Ų10558.2 Ų58.255%0.5532%0.316SS..EExtended strand (participates in β ladder)trans-75120.5-177.7-172.669.6000111.5T124 G134 R135T124-L132 HydrophobicContact CG2-CD1 3.47Å; T124-L132 VanDerWaalsContact CG2-CD1 3.47Å; L132-G134 VanDerWaalsContact CD1-O 3.25Å; L132-G134 WeakPolarHBondContact CD1-O 3.49Å; L132-R135 HydrophobicContact CD1-CB 4.33Å; L132-R135 HydrophobicContact CD2-CB 4.4Å
133L96.6Very high96.8Very high81 Ų8157.7 Ų57.742%0.42431%0.314SS..EExtended strand (participates in β ladder)trans-98.1-30172.5-60.2178.7000112.3T23 L125 D127 N131T23-L133 HydrophobicContact CG2-CD1 4.02Å; L125-L133 HydrophobicContact CB-CB 4.31Å; L125-L133 HydrophobicContact CD2-CB 4.07Å; L125-L133 HydrophobicContact CG-CB 4.15Å; L125-L133 HydrophobicContact CG-CD1 4.45Å; L125-L133 WeakPolarHBondContact O-CA 3.48Å; L125-L133 PolarHBondContact O-N 3.45Å; D127-L133 HydrophobicContact CB-CD1 4.13Å; D127-L133 HydrophobicContact CB-CD2 4.44Å; D127-L133 HydrophobicContact CB-CG 4.33Å; N131-L133 PolarHBondContact O-N 3.39Å
134G96.5Very high96.7Very high28 Ų2860.4 Ų60.429%0.28934%0.339SS..EExtended strand (participates in β ladder)trans-165.4155-179.800000112.1T124 L125 L132T124-G134 CarbonylContact C-O 3.53Å; T124-G134 WeakPolarHBondContact CA-O 3.3Å; L125-G134 PolarHBondContact N-O 3.05Å; L125-G134 PolarHBondContact O-N 3.22Å; L132-G134 VanDerWaalsContact CD1-O 3.25Å; L132-G134 WeakPolarHBondContact CD1-O 3.49Å
135R97.6Very high96.7Very high180 Ų18062.5 Ų62.568%0.67935%0.354SS*.EExtended strand (participates in β ladder)trans-145133.2178.8-172.7175.482.11664.7111.2I122 I123 T124 L132I122-R135 HydrophobicContact CG2-CG 3.86Å; I123-R135 WeakPolarHBondContact O-CA 3.46Å; T124-R135 HydrophobicContact CG2-CB 4.2Å; T124-R135 HydrophobicContact CG2-CG 3.82Å; L132-R135 HydrophobicContact CD1-CB 4.33Å; L132-R135 HydrophobicContact CD2-CB 4.4Å
136N97.4Very high96.7Very high119 Ų11962.3 Ų62.364%0.63636%0.355SS*.EExtended strand (participates in β ladder)trans-134.3166.4166.3-155.1-14000110.1I123I123-N136 PolarHBondContact N-O 2.7Å; I123-N136 PolarHBondContact O-N 2.61Å; I123-N136 VanDerWaalsContact O-O 3.14Å
137S97.4Very high96.6Very high57 Ų5763.2 Ų63.240%0.39937%0.367SS..EExtended strand (participates in β ladder)trans-153.6149.2177.3640000111.8T121T121-S137 CarbonylContact O-C 3.57Å; T121-S137 WeakPolarHBondContact O-CA 3.45Å; T121-S137 WeakPolarHBondContact O-CB 3.17Å
138F97.9Very high96.6Very high53 Ų5368.7 Ų68.723%0.23239%0.385CS..EExtended strand (participates in β ladder)trans-142.3150.8173.254.8-90.2000110.7M1 V11 T121 I123 V140M1-F138 HydrophobicContact CB-CD2 3.95Å; M1-F138 HydrophobicContact CB-CE2 4.19Å; M1-F138 HydrophobicContact CE-CE2 3.67Å; M1-F138 HydrophobicContact CE-CZ 4.45Å; M1-F138 HydrophobicContact SD-CE2 3.92Å; V11-F138 HydrophobicContact CG2-CZ 4.17Å; T121-F138 HydrophobicContact CG2-CE1 4.34Å; T121-F138 HydrophobicContact CG2-CE2 4.41Å; T121-F138 HydrophobicContact CG2-CZ 3.93Å; T121-F138 PolarHBondContact N-O 2.93Å; T121-F138 PolarHBondContact O-N 2.8Å; I123-F138 HydrophobicContact CD1-CE1 3.72Å; I123-F138 HydrophobicContact CD1-CZ 4.35Å; I123-F138 HydrophobicContact CG1-CE1 4.23Å; F138-V140 HydrophobicContact CD2-CG2 3.55Å; F138-V140 HydrophobicContact CE2-CG2 3.39Å
139E97.7Very high96.8Very high64 Ų6465.5 Ų65.530%0.29936%0.362SS..EExtended strand (participates in β ladder)trans-74.5138.8175.5-177.5163.6-155.200110.9M1 K32 P118 I119 L120M1-E139 PolarHBondContact N-O 2.9Å; K32-E139 HydrophobicContact CD-CG 4.47Å; K32-E139 VanDerWaalsContact CD-OE1 3.26Å; K32-E139 WeakPolarHBondContact CD-OE1 3.36Å; K32-E139 IonicContact NZ-OE1 3.46Å; K32-E139 PolarHBondContact NZ-OE1 3.47Å; K32-E139 IonicContact NZ-OE2 2.64Å; K32-E139 PolarHBondContact NZ-OE2 2.89Å; P118-E139 WeakPolarHBondContact CB-OE1 3.18Å; I119-E139 WeakPolarHBondContact O-CA 3.46Å; L120-E139 HydrophobicContact CD2-CB 3.97Å
140V98.3Very high96.9Very high1 Ų166.3 Ų66.31%0.00635%0.35CS..EExtended strand (participates in β ladder)trans-122.9130.3179-174.90000110.6M1 Y104 I119 T121 F138 V142M1-V140 HydrophobicContact CB-CG2 4.43Å; M1-V140 HydrophobicContact CE-CB 4.49Å; M1-V140 HydrophobicContact CE-CG1 3.84Å; M1-V140 HydrophobicContact CE-CG2 3.83Å; M1-V140 WeakPolarHBondContact O-CA 3.45Å; Y104-V140 HydrophobicContact CD1-CG1 4.01Å; Y104-V140 HydrophobicContact CD2-CG1 4.38Å; Y104-V140 HydrophobicContact CE1-CB 4.21Å; Y104-V140 HydrophobicContact CE1-CG1 3.78Å; Y104-V140 HydrophobicContact CE1-CG2 4.13Å; Y104-V140 HydrophobicContact CE2-CG1 4.21Å; Y104-V140 HydrophobicContact CG-CG1 4.31Å; I119-V140 HydrophobicContact CD1-CB 4.12Å; I119-V140 HydrophobicContact CG1-CB 4.15Å; I119-V140 VanDerWaalsContact CG1-O 3.27Å; I119-V140 WeakPolarHBondContact CG1-O 3.3Å; I119-V140 PolarHBondContact O-N 3.29Å; I119-V140 VanDerWaalsContact O-N 3.07Å; T121-V140 VanDerWaalsContact OG1-CG2 3.3Å; T121-V140 WeakPolarHBondContact OG1-CG2 3.46Å; F138-V140 HydrophobicContact CD2-CG2 3.55Å; F138-V140 HydrophobicContact CE2-CG2 3.39Å; V140-V142 HydrophobicContact CG1-CG2 4.08Å
141R98.1Very high97.1Very high100 Ų10072.4 Ų72.438%0.37736%0.364SS..EExtended strand (participates in β ladder)trans-124.4107.9171.4-178.2164.5165.2155.90.7110.1M1 F2 C3 C143 D149 E153M1-R141 PolarHBondContact O-N 3.45Å; F2-R141 WeakPolarHBondContact CA-O 3.19Å; F2-R141 HydrophobicContact CD1-CB 3.93Å; F2-R141 HydrophobicContact CD1-CG 4.14Å; F2-R141 HydrophobicContact CE1-CB 4.14Å; F2-R141 HydrophobicContact CE1-CG 4.29Å; C3-R141 PolarHBondContact N-O 3.46Å; C3-R141 VanDerWaalsContact N-O 3.1Å; R141-C143 HydrophobicContact CG-CB 4.41Å; R141-D149 IonicContact CZ-OD2 3.73Å; R141-D149 IonicContact NE-OD2 3.92Å; R141-D149 PolarHBondContact NE-OD2 2.93Å; R141-D149 IonicContact NH2-OD2 2.67Å; R141-D149 PolarHBondContact NH2-OD2 3.46Å; R141-E153 WeakPolarHBondContact CD-OE1 3.43Å; R141-E153 IonicContact CZ-OE1 3.49Å; R141-E153 IonicContact NE-OE1 3.34Å; R141-E153 IonicContact NH1-OE1 2.88Å; R141-E153 PolarHBondContact NH1-OE1 3.32Å
142V98.4Very high97.1Very high1 Ų170.9 Ų70.91%0.00636%0.359CS..EExtended strand (participates in β ladder)trans-88111.5177.4-168.10000108.2C3 L5 Y104 C106 S108 M114 V140C3-V142 CarbonylContact O-C 3.54Å; C3-V142 WeakPolarHBondContact O-CA 3.46Å; L5-V142 HydrophobicContact CB-CG1 4.4Å; Y104-V142 HydrophobicContact CD1-CG2 4.17Å; Y104-V142 HydrophobicContact CG-CG2 3.94Å; C106-V142 WeakPolarHBondContact O-CB 3.5Å; C106-V142 WeakPolarHBondContact O-CG1 3.26Å; S108-V142 PolarHBondContact N-O 2.92Å; S108-V142 PolarHBondContact OG-N 2.66Å; S108-V142 PolarHBondContact OG-O 2.92Å; M114-V142 HydrophobicContact CE-CG2 4.37Å; V140-V142 HydrophobicContact CG1-CG2 4.08Å
143C97.7Very high96.9Very high10 Ų1068.6 Ų68.67%0.06835%0.345CS..  trans-145.6161.8-171620000112C3 Q4 R141 C145C3-C143 PolarHBondContact O-N 3.29Å; Q4-C143 WeakPolarHBondContact CA-O 3.34Å; R141-C143 HydrophobicContact CG-CB 4.41Å; C143-C145 VanDerWaalsContact C-N 3.35Å; C143-C145 PolarHBondContact O-N 2.81Å
144A97.2Very high96.8Very high74 Ų7466.9 Ų66.961%0.61234%0.335SS*.SBendtrans-69.5-31.6-179.200000113.1Q4Q4-A144 PolarHBondContact NE2-O 3.1Å
145C97.1Very high96.6Very high56 Ų5670.1 Ų70.138%0.37834%0.343SS..  trans-129.371.4-173.8-55.80000112.4C143 G147 R148 D149C143-C145 VanDerWaalsContact C-N 3.35Å; C143-C145 PolarHBondContact O-N 2.81Å; C145-G147 VanDerWaalsContact C-N 3.34Å; C145-G147 PolarHBondContact O-N 2.87Å; C145-R148 HydrophobicContact CB-CB 4.09Å; C145-R148 PolarHBondContact O-N 2.98Å; C145-R148 VanDerWaalsContact O-N 3.09Å; C145-D149 PolarHBondContact O-N 3.45Å
146P97.1Very high96.4Very high29 Ų2965.2 Ų65.219%0.18833%0.33CS..Hα-helixtrans-52-45-175.2-30.737.3000114.8F2 Q4 R148 D149 R150F2-P146 HydrophobicContact CB-CB 3.75Å; Q4-P146 HydrophobicContact CG-CG 3.7Å; P146-R148 VanDerWaalsContact C-N 3.32Å; P146-R148 PolarHBondContact O-N 2.77Å; P146-D149 PolarHBondContact O-N 3.18Å; P146-R150 WeakPolarHBondContact O-CB 3.31Å; P146-R150 PolarHBondContact O-N 3.25Å
147G96.2Very high96Very high32 Ų3265.2 Ų65.233%0.3333%0.329SS..Hα-helixtrans-69.2-25.6-177.700000114.3C145 R151C145-G147 VanDerWaalsContact C-N 3.34Å; C145-G147 PolarHBondContact O-N 2.87Å; G147-R151 WeakPolarHBondContact O-CG 3.3Å; G147-R151 PolarHBondContact O-NE 2.82Å
148R97.4Very high95.4Very high147 Ų14768.2 Ų68.256%0.55533%0.332SS*.Hα-helixtrans-78.1-52.7172.9-176.8-17065.6-173.8-2.8109.7C145 P146 R150 R151 T152C145-R148 HydrophobicContact CB-CB 4.09Å; C145-R148 PolarHBondContact O-N 2.98Å; C145-R148 VanDerWaalsContact O-N 3.09Å; P146-R148 VanDerWaalsContact C-N 3.32Å; P146-R148 PolarHBondContact O-N 2.77Å; R148-R150 VanDerWaalsContact C-N 3.31Å; R148-R150 PolarHBondContact O-N 2.81Å; R148-R151 PolarHBondContact O-N 2.91Å; R148-R151 VanDerWaalsContact O-N 3.17Å; R148-T152 PolarHBondContact O-N 3.32Å; R148-T152 PolarHBondContact O-OG1 3Å
149D97Very high95Very high18 Ų1871.3 Ų71.310%0.09635%0.345CS..Hα-helixtrans-61.4-39.7-176.6-76.728.6000111.3F2 R141 C145 P146 T152 E153F2-D149 HydrophobicContact CD1-CB 4.01Å; F2-D149 HydrophobicContact CE1-CB 4.09Å; R141-D149 IonicContact CZ-OD2 3.73Å; R141-D149 IonicContact NE-OD2 3.92Å; R141-D149 PolarHBondContact NE-OD2 2.93Å; R141-D149 IonicContact NH2-OD2 2.67Å; R141-D149 PolarHBondContact NH2-OD2 3.46Å; C145-D149 PolarHBondContact O-N 3.45Å; P146-D149 PolarHBondContact O-N 3.18Å; D149-T152 PolarHBondContact O-N 2.81Å; D149-E153 PolarHBondContact O-N 2.98Å
150R96.2Very high94.1Very high114 Ų11476.6 Ų76.643%0.4337%0.367SS..Hα-helixtrans-57.5-52.7172.2-177.9-178.471.3-178.9-0.5112F2 P146 R148 T152 E153 E154F2-R150 HydrophobicContact CD1-CB 4.35Å; F2-R150 HydrophobicContact CD2-CB 3.65Å; F2-R150 HydrophobicContact CD2-CG 3.87Å; F2-R150 HydrophobicContact CE1-CB 4.46Å; F2-R150 HydrophobicContact CE2-CB 3.83Å; F2-R150 HydrophobicContact CE2-CG 3.86Å; F2-R150 HydrophobicContact CG-CB 3.96Å; F2-R150 HydrophobicContact CZ-CB 4.24Å; P146-R150 WeakPolarHBondContact O-CB 3.31Å; P146-R150 PolarHBondContact O-N 3.25Å; R148-R150 VanDerWaalsContact C-N 3.31Å; R148-R150 PolarHBondContact O-N 2.81Å; R150-T152 VanDerWaalsContact C-N 3.31Å; R150-T152 PolarHBondContact O-N 2.79Å; R150-E153 PolarHBondContact O-N 2.88Å; R150-E154 VanDerWaalsContact CD-OE1 3.25Å; R150-E154 WeakPolarHBondContact CD-OE1 3.11Å; R150-E154 HydrophobicContact CG-CG 4.31Å; R150-E154 WeakPolarHBondContact CG-OE1 3.43Å; R150-E154 IonicContact NE-OE1 3.7Å; R150-E154 WeakPolarHBondContact O-CB 3.37Å; R150-E154 WeakPolarHBondContact O-CG 3.29Å; R150-E154 PolarHBondContact O-N 3.06Å
151R95Very high92.3Very high155 Ų15579 Ų7959%0.58539%0.393SS*.Hα-helixtrans-58.8-43179.5-79.4-176.7-76.3-169.1-1111.7G147 R148 E155G147-R151 WeakPolarHBondContact O-CG 3.3Å; G147-R151 PolarHBondContact O-NE 2.82Å; R148-R151 PolarHBondContact O-N 2.91Å; R148-R151 VanDerWaalsContact O-N 3.17Å; R151-E155 VanDerWaalsContact O-CB 3.25Å; R151-E155 WeakPolarHBondContact O-CB 3.39Å; R151-E155 PolarHBondContact O-N 3.04Å
152T96Very high90Very high65 Ų6580.8 Ų80.840%0.39941%0.405SS..Hα-helixtrans-63.7-42.5177.3-59.30000112R148 D149 R150 N156R148-T152 PolarHBondContact O-N 3.32Å; R148-T152 PolarHBondContact O-OG1 3Å; D149-T152 PolarHBondContact O-N 2.81Å; R150-T152 VanDerWaalsContact C-N 3.31Å; R150-T152 PolarHBondContact O-N 2.79Å; T152-N156 WeakPolarHBondContact O-CB 3.35Å; T152-N156 PolarHBondContact O-N 2.93Å; T152-N156 PolarHBondContact O-ND2 3.33Å
153E93.1Very high87.4Confident56 Ų5685.5 Ų85.526%0.26244%0.436SS..Hα-helixtrans-68.2-44.6177.1-74.7-168.8-154.900112.6F2 R141 D149 R150 E155 N156 L157F2-E153 HydrophobicContact CE1-CG 4.27Å; F2-E153 WeakPolarHBondContact CE1-OE1 3.39Å; F2-E153 HydrophobicContact CZ-CB 3.99Å; F2-E153 VanDerWaalsContact CZ-CD 3.44Å; F2-E153 HydrophobicContact CZ-CG 4.07Å; F2-E153 WeakPolarHBondContact CZ-OE2 3.36Å; R141-E153 WeakPolarHBondContact CD-OE1 3.43Å; R141-E153 IonicContact CZ-OE1 3.49Å; R141-E153 IonicContact NE-OE1 3.34Å; R141-E153 IonicContact NH1-OE1 2.88Å; R141-E153 PolarHBondContact NH1-OE1 3.32Å; D149-E153 PolarHBondContact O-N 2.98Å; R150-E153 PolarHBondContact O-N 2.88Å; E153-E155 PolarHBondContact O-N 2.9Å; E153-N156 PolarHBondContact O-N 2.85Å; E153-L157 VanDerWaalsContact O-CG 3.32Å; E153-L157 WeakPolarHBondContact O-CG 3.33Å; E153-L157 PolarHBondContact O-N 3.3Å
154E92.6Very high84.7Confident46 Ų4693.1 Ų93.122%0.21547%0.47CS..Hα-helixtrans-59.2-45.5175.1-73.2170.5-171.400111.6R150 N156 L157 R158 R210R150-E154 VanDerWaalsContact CD-OE1 3.25Å; R150-E154 WeakPolarHBondContact CD-OE1 3.11Å; R150-E154 HydrophobicContact CG-CG 4.31Å; R150-E154 WeakPolarHBondContact CG-OE1 3.43Å; R150-E154 IonicContact NE-OE1 3.7Å; R150-E154 WeakPolarHBondContact O-CB 3.37Å; R150-E154 WeakPolarHBondContact O-CG 3.29Å; R150-E154 PolarHBondContact O-N 3.06Å; E154-N156 PolarHBondContact O-N 3.38Å; E154-L157 PolarHBondContact O-N 2.88Å; E154-R158 WeakPolarHBondContact O-CG 3.42Å; E154-R158 PolarHBondContact O-N 3.48Å; E154-R210 IonicContact OE2-NH1 2.74Å
155E93.5Very high82.1Confident96 Ų9697.9 Ų97.945%0.44948%0.479SS..Hα-helixtrans-62.4-41.7176.4-173.4-175166.700111.7R151 E153 L157 R158 K159R151-E155 VanDerWaalsContact O-CB 3.25Å; R151-E155 WeakPolarHBondContact O-CB 3.39Å; R151-E155 PolarHBondContact O-N 3.04Å; E153-E155 PolarHBondContact O-N 2.9Å; E155-L157 VanDerWaalsContact C-N 3.32Å; E155-L157 PolarHBondContact O-N 3.13Å; E155-R158 PolarHBondContact O-N 3.33Å; E155-K159 HydrophobicContact CG-CD 4.37Å; E155-K159 WeakPolarHBondContact O-CB 3.25Å; E155-K159 WeakPolarHBondContact O-CG 3.32Å; E155-K159 PolarHBondContact O-N 3.07Å; E155-K159 WeakPolarHBondContact OE1-CE 3.47Å; E155-K159 IonicContact OE1-NZ 3.33Å; E155-K159 PolarHBondContact OE1-NZ 2.96Å
156N93.4Very high79.1Confident76 Ų76102 Ų10241%0.40649%0.493SS..Hα-helixtrans-66.4-32.2176.4-73.9-28.9000112.8T152 E153 E154 K160T152-N156 WeakPolarHBondContact O-CB 3.35Å; T152-N156 PolarHBondContact O-N 2.93Å; T152-N156 PolarHBondContact O-ND2 3.33Å; E153-N156 PolarHBondContact O-N 2.85Å; E154-N156 PolarHBondContact O-N 3.38Å; N156-K160 VanDerWaalsContact O-CG 3.3Å; N156-K160 WeakPolarHBondContact O-CG 3.35Å; N156-K160 PolarHBondContact O-N 2.94Å
157L88.6Confident76.2Confident119 Ų119108 Ų10862%0.62352%0.523SS*.Hα-helixtrans-70.3-44.9174.1-71.1170.4000110.9E153 E154 E155 K160 G161E153-L157 VanDerWaalsContact O-CG 3.32Å; E153-L157 WeakPolarHBondContact O-CG 3.33Å; E153-L157 PolarHBondContact O-N 3.3Å; E154-L157 PolarHBondContact O-N 2.88Å; E155-L157 VanDerWaalsContact C-N 3.32Å; E155-L157 PolarHBondContact O-N 3.13Å; L157-K160 WeakPolarHBondContact O-CB 3.46Å; L157-K160 PolarHBondContact O-N 2.99Å; L157-K160 VanDerWaalsContact O-N 3.15Å; L157-G161 PolarHBondContact O-N 3.37Å
158R85.5Confident73.2Confident121 Ų121111.7 Ų111.746%0.45754%0.541SS..Hα-helixtrans-60.2-45.9176.2-70.5173.4176.7-144.3-2.4112.1E154 E155 K160 G161 E162 E214E154-R158 WeakPolarHBondContact O-CG 3.42Å; E154-R158 PolarHBondContact O-N 3.48Å; E155-R158 PolarHBondContact O-N 3.33Å; R158-K160 PolarHBondContact O-N 2.79Å; R158-G161 PolarHBondContact O-N 2.73Å; R158-E162 PolarHBondContact O-N 2.89Å; R158-E214 IonicContact CZ-OE1 3.55Å; R158-E214 IonicContact NH2-OE1 3.32Å; R158-E214 PolarHBondContact NH2-OE1 3.31Å
159K88Confident70.3Confident117 Ų117108.6 Ų108.651%0.50954%0.54SS..Hα-helixtrans-61.8-23.6175.9-74.2177.4-176.9170.40114.3E155E155-K159 HydrophobicContact CG-CD 4.37Å; E155-K159 WeakPolarHBondContact O-CB 3.25Å; E155-K159 WeakPolarHBondContact O-CG 3.32Å; E155-K159 PolarHBondContact O-N 3.07Å; E155-K159 WeakPolarHBondContact OE1-CE 3.47Å; E155-K159 IonicContact OE1-NZ 3.33Å; E155-K159 PolarHBondContact OE1-NZ 2.96Å
160K79.7Confident67.3Low175 Ų175110.7 Ų110.776%0.76157%0.565SS**Hα-helixtrans-82.1-24.8174.1-73.4173-177.7-178.40112.5N156 L157 R158N156-K160 VanDerWaalsContact O-CG 3.3Å; N156-K160 WeakPolarHBondContact O-CG 3.35Å; N156-K160 PolarHBondContact O-N 2.94Å; L157-K160 WeakPolarHBondContact O-CB 3.46Å; L157-K160 PolarHBondContact O-N 2.99Å; L157-K160 VanDerWaalsContact O-N 3.15Å; R158-K160 PolarHBondContact O-N 2.79Å
161G61.1Low64.6Low53 Ų53111.1 Ų111.155%0.54659%0.586SS.*Hα-helixtrans-87.7-30.9176.900000113.6L157 R158L157-G161 PolarHBondContact O-N 3.37Å; R158-G161 PolarHBondContact O-N 2.73Å
162E50.2Low61.8Low137 Ų137109.6 Ų109.664%0.6459%0.594SS**SBendtrans-72.3131174.4-74-172.8145.100110.7R158 H164R158-E162 PolarHBondContact O-N 2.89Å; E162-H164 PolarHBondContact O-N 3.3Å
163P43.2Very low59.3Low100 Ų100116.6 Ų116.665%0.64962%0.619SS**  trans-57.8125.3158.1-4.818.8000106.1H165P163-H165 VanDerWaalsContact C-N 3.32Å; P163-H165 PolarHBondContact O-N 2.74Å
164H41.6Very low56.9Low169 Ų169124.3 Ų124.378%0.78265%0.646SS**  trans-45.899.1168.9-124.6-89.2000108.4E162 E166E162-H164 PolarHBondContact O-N 3.3Å; H164-E166 PolarHBondContact O-N 2.77Å
165H41.5Very low54.6Low174 Ų174126.9 Ų126.981%0.80668%0.675SS**  trans-69.987153.9-85.1-81.5000103.7P163 L167P163-H165 VanDerWaalsContact C-N 3.32Å; P163-H165 PolarHBondContact O-N 2.74Å; H165-L167 PolarHBondContact O-N 2.88Å
166E34.1Very low52.4Low143 Ų143129.8 Ų129.867%0.66869%0.692SS**  trans-50.6100.1155.8-73.1-172.3162.300105.8H164H164-E166 PolarHBondContact O-N 2.77Å
167L35.7Very low50.2Low156 Ų156131.3 Ų131.382%0.81771%0.707SS**  trans-43.5125.1148.6-80.6154.1000105.2H165H165-L167 PolarHBondContact O-N 2.88Å
168P34.3Very low48.2Very low109 Ų109133.4 Ų133.471%0.70872%0.719SS**  trans-53.9125.1-169.121.2-30.7000107.1G170P168-G170 PolarHBondContact O-N 3.4Å
169P36.3Very low46.5Very low82 Ų82133.7 Ų133.753%0.53273%0.729SS.*  trans-56.6121.2174.524.9-30.5000104.6S171P169-S171 PolarHBondContact O-N 2.83Å
170G34.4Very low44.8Very low61 Ų61135.6 Ų135.663%0.62975%0.751SS**  trans-42.5116.5-179.100000109.5P168 T172P168-G170 PolarHBondContact O-N 3.4Å; G170-T172 PolarHBondContact O-N 2.91Å; G170-T172 PolarHBondContact O-OG1 2.85Å; G170-T172 VanDerWaalsContact O-OG1 3.06Å
171S39Very low43.1Very low123 Ų123132 Ų13286%0.8675%0.748SS**SBendtrans25.574.5147.2-176.50000114.4P169P169-S171 PolarHBondContact O-N 2.83Å
172T36.9Very low42.1Very low123 Ų123135.8 Ų135.876%0.75577%0.766SS**  trans-141.289.1163.926.10000109.5G170G170-T172 PolarHBondContact O-N 2.91Å; G170-T172 PolarHBondContact O-OG1 2.85Å; G170-T172 VanDerWaalsContact O-OG1 3.06Å
173K42.3Very low41.7Very low213 Ų213133.5 Ų133.593%0.92677%0.765SS**  trans4983.1150.1-119.6-179.8-179.4-179.70116.2
174R43Very low41.9Very low217 Ų217134.3 Ų134.382%0.81977%0.77SS**  trans-127.9128.8155.5-82.4-170.2-83.2-169.8-3.4110.6
175A43.1Very low42.1Very low100 Ų100135.2 Ų135.283%0.82678%0.775SS**PPolyproline II helixtrans-65.7138.1-178.600000111.2
176L48.9Very low42.5Very low157 Ų157132.3 Ų132.382%0.82277%0.772SS**PPolyproline II helixtrans-68.9135.6175.3-86.475.7000110.5
177P47.2Very low43.1Very low109 Ų109135.6 Ų135.671%0.70878%0.784SS**PPolyproline II helixtrans-75.3131.1166-7.224.2000110.6N179P177-N179 PolarHBondContact O-N 2.84Å; P177-N179 VanDerWaalsContact O-N 3.12Å
178N46.3Very low43.6Very low163 Ų163137 Ų13787%0.87278%0.783SS**  trans-8075.3176-86.3-6.7000111.2
179N49.9Very low44.2Very low127 Ų127141.5 Ų141.568%0.67979%0.791SS**SBendtrans-153.8130174.3-31.654000110.2P177 S181P177-N179 PolarHBondContact O-N 2.84Å; P177-N179 VanDerWaalsContact O-N 3.12Å; N179-S181 PolarHBondContact O-N 2.87Å
180T51Low44.7Very low157 Ų157143 Ų14396%0.96380%0.802SS**SBendtrans-61.180.2-179.3250000113
181S45.8Very low45.7Very low99 Ų99146.4 Ų146.469%0.69281%0.805SS**  trans-164.9113.8162.1177.90000109.3N179 S183N179-S181 PolarHBondContact O-N 2.87Å; S181-S183 VanDerWaalsContact C-N 3.33Å; S181-S183 PolarHBondContact O-N 2.64Å
182S39.8Very low46.7Very low133 Ų133149 Ų14993%0.9381%0.809SS**  trans-8921.7-170.351.90000115
183S42.2Very low48.3Very low88 Ų88145.1 Ų145.162%0.61579%0.793SS**  trans-119.6123.2-178.9-173.30000113S181 Q185S181-S183 VanDerWaalsContact C-N 3.33Å; S181-S183 PolarHBondContact O-N 2.64Å; S183-Q185 PolarHBondContact O-N 3.46Å
184P46Very low50.4Low118 Ų118143 Ų14377%0.76679%0.786SS**PPolyproline II helixtrans-68.7121.8172.1-9.924.6000110.6P186P184-P186 WeakPolarHBondContact O-CD 3.32Å
185Q47Very low52.5Low187 Ų187141.6 Ų141.687%0.87478%0.782SS**PPolyproline II helixtrans-71.4124.7174.1-74.8-165-29.700111.5S183S183-Q185 PolarHBondContact O-N 3.46Å
186P48.5Very low54.7Low114 Ų114145.1 Ų145.174%0.7478%0.779SS**PPolyproline II helixtrans-75.6132.8177.227.1-28.1000111.5P184 K188P184-P186 WeakPolarHBondContact O-CD 3.32Å; P186-K188 VanDerWaalsContact C-N 3.32Å; P186-K188 PolarHBondContact O-N 2.89Å
187K48.2Very low56.8Low212 Ų212144.2 Ų144.292%0.92278%0.781SS**SBendtrans-78.83.7-172-108.5-179.6-179.2176.90115.9
188K46.5Very low59Low186 Ų186145.2 Ų145.281%0.80978%0.779SS**SBendtrans-146.1144.3177.1-71.6-170.3176.9178.60110.4P186P186-K188 VanDerWaalsContact C-N 3.32Å; P186-K188 PolarHBondContact O-N 2.89Å
189K46.3Very low61.3Low202 Ų202146.1 Ų146.188%0.87878%0.778SS**PPolyproline II helixtrans-53.2134.8174.4-72.6-176.9176.1-174.90109.3L191K189-L191 PolarHBondContact O-N 2.74Å
190P45.6Very low63.5Low115 Ų115142.2 Ų142.275%0.74776%0.757SS**PPolyproline II helixtrans-56.8139.1171.3-12.525.7000108.5D192P190-D192 PolarHBondContact O-N 3.04Å
191L56Low65.6Low132 Ų132144.6 Ų144.669%0.69175%0.748SS**PPolyproline II helixtrans-61.3116.9156.3-94.7128.7000105.6K189 G193K189-L191 PolarHBondContact O-N 2.74Å; L191-G193 VanDerWaalsContact C-N 3.33Å; L191-G193 PolarHBondContact O-N 2.76Å
192D60Low68Low178 Ų178142 Ų14295%0.95274%0.737SS**SBendtrans-6989.8-175.5-156.618.7000108.5P190P190-D192 PolarHBondContact O-N 3.04Å
193G71.1Confident70.6Confident41 Ų41144.8 Ų144.842%0.42373%0.727SS.*  trans-165.4128.7-178.900000110.1L191 Y195L191-G193 VanDerWaalsContact C-N 3.33Å; L191-G193 PolarHBondContact O-N 2.76Å; G193-Y195 WeakPolarHBondContact O-CD2 3.35Å; G193-Y195 WeakPolarHBondContact O-CE2 3.29Å; G193-Y195 PolarHBondContact O-N 3.09Å
194E86Confident73.1Confident167 Ų167147.8 Ų147.878%0.7873%0.731SS**  trans-75.7115.8172-65.7-173.9160.800108.9F196E194-F196 HydrophobicContact CB-CE2 3.79Å; E194-F196 HydrophobicContact CB-CZ 4.08Å
195Y86.7Confident75.5Confident188 Ų188147.9 Ų147.974%0.73772%0.716SS**  trans-100.5128176-68.2-89.5000110G193G193-Y195 WeakPolarHBondContact O-CD2 3.35Å; G193-Y195 WeakPolarHBondContact O-CE2 3.29Å; G193-Y195 PolarHBondContact O-N 3.09Å
196F89.7Confident77.8Confident175 Ų175143.7 Ų143.777%0.76870%0.696SS**  trans-109.8151.2175.1-59.6-87000110.3E194E194-F196 HydrophobicContact CB-CE2 3.79Å; E194-F196 HydrophobicContact CB-CZ 4.08Å
197T92.5Very high80Confident138 Ų138142.4 Ų142.485%0.84768%0.68SS**  trans-101131.1172.457.10000109.7
198L93.1Very high82.2Confident130 Ų130137.6 Ų137.668%0.68166%0.662SS**  trans-123.2120178.6-178.163.4000109.9I200L198-I200 HydrophobicContact CD2-CD1 4.27Å; L198-I200 HydrophobicContact CD2-CG1 4.26Å; L198-I200 HydrophobicContact CG-CG1 4.09Å
199Q95.2Very high84.6Confident182 Ų182133.9 Ų133.985%0.8565%0.646SS**  trans-88.9119.7177.6-65.9-69.8300110.2
200I95.4Very high86.9Confident44 Ų44127.3 Ų127.323%0.22662%0.615CS.*  trans-115.2120.1-177.6-56.1170.6000109.2L198 R205 F206 F209L198-I200 HydrophobicContact CD2-CD1 4.27Å; L198-I200 HydrophobicContact CD2-CG1 4.26Å; L198-I200 HydrophobicContact CG-CG1 4.09Å; I200-R205 HydrophobicContact CG2-CB 3.73Å; I200-F206 HydrophobicContact CB-CB 4.42Å; I200-F206 HydrophobicContact CD1-CD2 4.37Å; I200-F206 HydrophobicContact CG2-CB 4.25Å; I200-F209 HydrophobicContact CD1-CB 3.45Å; I200-F209 VanDerWaalsContact CD1-CB 3.45Å; I200-F209 HydrophobicContact CD1-CD1 4.49Å; I200-F209 HydrophobicContact CD1-CD2 3.76Å; I200-F209 HydrophobicContact CD1-CG 3.66Å; I200-F209 HydrophobicContact CG1-CD2 4.37Å; I200-F209 HydrophobicContact CG2-CD2 4.08Å
201R96.4Very high89.2Confident207 Ų207128.7 Ų128.778%0.78161%0.612SS**SBendtrans-73.8129.2177.7-176.2-179.3171.4173.4-0.1110R205R201-R205 VanDerWaalsContact CG-NH2 3.28Å; R201-R205 PolarHBondContact O-NE 3.46Å; R201-R205 PolarHBondContact O-NH2 3.43Å
202G95.4Very high91.1Very high44 Ų44127.3 Ų127.345%0.45461%0.605SS.*SBendtrans81.5141.4172.800000114.3F206G202-F206 PolarHBondContact O-N 3.29Å; G202-F206 VanDerWaalsContact O-N 3.13Å
203R94.6Very high92.8Very high192 Ų192123 Ų12373%0.72558%0.581SS**Hα-helixtrans-66.5-45.7-170.5-177.3179.7-66-133.1-0.8113.5R205 F206 E207R203-R205 VanDerWaalsContact C-N 3.35Å; R203-R205 PolarHBondContact O-N 3.45Å; R203-F206 WeakPolarHBondContact O-CB 3.43Å; R203-F206 PolarHBondContact O-N 2.94Å; R203-F206 VanDerWaalsContact O-N 3.14Å; R203-E207 WeakPolarHBondContact CG-OE1 3.25Å; R203-E207 WeakPolarHBondContact O-CG 3.42Å; R203-E207 PolarHBondContact O-N 2.93Å
204E95.3Very high93.9Very high151 Ų151123.9 Ų123.971%0.70658%0.575SS**Hα-helixtrans-61.1-43.8-179-176.2179-166.400111.7F206 E207 M208E204-F206 VanDerWaalsContact C-N 3.35Å; E204-F206 PolarHBondContact O-N 3.17Å; E204-E207 PolarHBondContact O-N 3.19Å; E204-M208 PolarHBondContact O-N 2.89Å
205R95.3Very high94.3Very high120 Ų120118.6 Ų118.645%0.45356%0.56SS.*Hα-helixtrans-60.4-45.1173.1-72.3-172.7-71.9-171.3-12.2111.7I200 R201 R203 E207 M208 F209I200-R205 HydrophobicContact CG2-CB 3.73Å; R201-R205 VanDerWaalsContact CG-NH2 3.28Å; R201-R205 PolarHBondContact O-NE 3.46Å; R201-R205 PolarHBondContact O-NH2 3.43Å; R203-R205 VanDerWaalsContact C-N 3.35Å; R203-R205 PolarHBondContact O-N 3.45Å; R205-E207 VanDerWaalsContact C-N 3.28Å; R205-E207 PolarHBondContact O-N 3.4Å; R205-M208 HydrophobicContact CB-CE 4.34Å; R205-M208 HydrophobicContact CG-CE 3.92Å; R205-M208 PolarHBondContact O-N 2.84Å; R205-F209 VanDerWaalsContact O-CD2 3.27Å; R205-F209 WeakPolarHBondContact O-CD2 3.33Å; R205-F209 PolarHBondContact O-N 2.79Å; R205-F209 VanDerWaalsContact O-N 3.07Å
206F96.6Very high94.7Very high100 Ų100113.7 Ų113.744%0.43955%0.545SS..Hα-helixtrans-58.1-42176168.7-96.3000112I200 G202 R203 E204 F209 R210I200-F206 HydrophobicContact CB-CB 4.42Å; I200-F206 HydrophobicContact CD1-CD2 4.37Å; I200-F206 HydrophobicContact CG2-CB 4.25Å; G202-F206 PolarHBondContact O-N 3.29Å; G202-F206 VanDerWaalsContact O-N 3.13Å; R203-F206 WeakPolarHBondContact O-CB 3.43Å; R203-F206 PolarHBondContact O-N 2.94Å; R203-F206 VanDerWaalsContact O-N 3.14Å; E204-F206 VanDerWaalsContact C-N 3.35Å; E204-F206 PolarHBondContact O-N 3.17Å; F206-F209 PolarHBondContact O-N 2.91Å; F206-R210 WeakPolarHBondContact O-CB 3.49Å; F206-R210 PolarHBondContact O-N 3.06Å
207E94.1Very high94.8Very high87 Ų87110.6 Ų110.641%0.40753%0.533SS..Hα-helixtrans-64.4-41.4178.5-72.9174.2-17200112.2R203 E204 R205 R210 E211R203-E207 WeakPolarHBondContact CG-OE1 3.25Å; R203-E207 WeakPolarHBondContact O-CG 3.42Å; R203-E207 PolarHBondContact O-N 2.93Å; E204-E207 PolarHBondContact O-N 3.19Å; R205-E207 VanDerWaalsContact C-N 3.28Å; R205-E207 PolarHBondContact O-N 3.4Å; E207-R210 PolarHBondContact O-N 2.87Å; E207-E211 WeakPolarHBondContact O-CB 3.06Å; E207-E211 PolarHBondContact O-N 2.94Å
208M95Very high94.7Very high110 Ų110108.9 Ų108.954%0.54252%0.519SS..Hα-helixtrans-61.3-48.9174.8-69-171.1-69.200112.7E204 R205 R210 E211 L212E204-M208 PolarHBondContact O-N 2.89Å; R205-M208 HydrophobicContact CB-CE 4.34Å; R205-M208 HydrophobicContact CG-CE 3.92Å; R205-M208 PolarHBondContact O-N 2.84Å; M208-R210 VanDerWaalsContact C-N 3.3Å; M208-R210 PolarHBondContact O-N 2.83Å; M208-E211 PolarHBondContact O-N 3.36Å; M208-L212 PolarHBondContact O-N 2.86Å; M208-L212 VanDerWaalsContact O-N 3.13Å
209F96.8Very high94.7Very high109 Ų109109.4 Ų109.448%0.47852%0.515SS..Hα-helixtrans-65.3-35.9177.9-83.7-78.6000112I200 R205 F206 N213I200-F209 HydrophobicContact CD1-CB 3.45Å; I200-F209 VanDerWaalsContact CD1-CB 3.45Å; I200-F209 HydrophobicContact CD1-CD1 4.49Å; I200-F209 HydrophobicContact CD1-CD2 3.76Å; I200-F209 HydrophobicContact CD1-CG 3.66Å; I200-F209 HydrophobicContact CG1-CD2 4.37Å; I200-F209 HydrophobicContact CG2-CD2 4.08Å; R205-F209 VanDerWaalsContact O-CD2 3.27Å; R205-F209 WeakPolarHBondContact O-CD2 3.33Å; R205-F209 PolarHBondContact O-N 2.79Å; R205-F209 VanDerWaalsContact O-N 3.07Å; F206-F209 PolarHBondContact O-N 2.91Å; F209-N213 VanDerWaalsContact O-CB 3.32Å; F209-N213 WeakPolarHBondContact O-CB 3.36Å; F209-N213 PolarHBondContact O-N 2.98Å
210R93.8Very high94.5Very high64 Ų64106.1 Ų106.124%0.24250%0.504CS..Hα-helixtrans-63.5-46.7175.8-179.3-177.666.9136.74111.3E154 F206 E207 M208 N213 E214E154-R210 IonicContact OE2-NH1 2.74Å; F206-R210 WeakPolarHBondContact O-CB 3.49Å; F206-R210 PolarHBondContact O-N 3.06Å; E207-R210 PolarHBondContact O-N 2.87Å; M208-R210 VanDerWaalsContact C-N 3.3Å; M208-R210 PolarHBondContact O-N 2.83Å; R210-N213 PolarHBondContact O-N 2.83Å; R210-E214 HydrophobicContact CG-CG 4.39Å; R210-E214 WeakPolarHBondContact O-CB 3.37Å; R210-E214 WeakPolarHBondContact O-CG 3.5Å; R210-E214 PolarHBondContact O-N 3.3Å
211E93.9Very high94.2Very high144 Ų144107 Ų10767%0.67352%0.518SS*.Hα-helixtrans-59.8-46.1178.5-177.7171.6-170.600111.6E207 M208 A215E207-E211 WeakPolarHBondContact O-CB 3.06Å; E207-E211 PolarHBondContact O-N 2.94Å; M208-E211 PolarHBondContact O-N 3.36Å; E211-A215 WeakPolarHBondContact O-CB 3.29Å; E211-A215 PolarHBondContact O-N 3.27Å
212L95.8Very high93.6Very high103 Ų103103 Ų10354%0.53951%0.507SS..Hα-helixtrans-62.6-45.1176.3-179.861.3000112.3M208 A215 L216M208-L212 PolarHBondContact O-N 2.86Å; M208-L212 VanDerWaalsContact O-N 3.13Å; L212-A215 PolarHBondContact O-N 3.04Å; L212-L216 HydrophobicContact CD1-CD1 4.45Å; L212-L216 HydrophobicContact CD1-CG 4.49Å; L212-L216 HydrophobicContact CG-CD1 4.34Å; L212-L216 WeakPolarHBondContact O-CG 3.31Å; L212-L216 PolarHBondContact O-N 2.65Å
213N95.8Very high93Very high86 Ų86103.8 Ų103.846%0.4651%0.51SS..Hα-helixtrans-64.1-46.5-179.3-172.178000111.8F209 R210 A215 L216 E217F209-N213 VanDerWaalsContact O-CB 3.32Å; F209-N213 WeakPolarHBondContact O-CB 3.36Å; F209-N213 PolarHBondContact O-N 2.98Å; R210-N213 PolarHBondContact O-N 2.83Å; N213-A215 VanDerWaalsContact C-N 3.28Å; N213-A215 PolarHBondContact O-N 3.32Å; N213-L216 PolarHBondContact O-N 3.17Å; N213-E217 PolarHBondContact ND2-OE1 2.96Å; N213-E217 WeakPolarHBondContact O-CG 3.28Å; N213-E217 PolarHBondContact O-N 3.18Å
214E93.7Very high92Very high61 Ų6198.1 Ų98.129%0.28551%0.512SS..Hα-helixtrans-62.5-35.6177.1-72.2178.6177.500111.8R158 R210 L218R158-E214 IonicContact CZ-OE1 3.55Å; R158-E214 IonicContact NH2-OE1 3.32Å; R158-E214 PolarHBondContact NH2-OE1 3.31Å; R210-E214 HydrophobicContact CG-CG 4.39Å; R210-E214 WeakPolarHBondContact O-CB 3.37Å; R210-E214 WeakPolarHBondContact O-CG 3.5Å; R210-E214 PolarHBondContact O-N 3.3Å; E214-L218 WeakPolarHBondContact O-CB 3.18Å; E214-L218 PolarHBondContact O-N 2.93Å
215A94.8Very high90.4Very high56 Ų5699 Ų9946%0.46351%0.513SS..Hα-helixtrans-65.6-39.3174.700000112.7E211 L212 N213 L218 K219E211-A215 WeakPolarHBondContact O-CB 3.29Å; E211-A215 PolarHBondContact O-N 3.27Å; L212-A215 PolarHBondContact O-N 3.04Å; N213-A215 VanDerWaalsContact C-N 3.28Å; N213-A215 PolarHBondContact O-N 3.32Å; A215-L218 PolarHBondContact O-N 3.05Å; A215-K219 PolarHBondContact O-N 3.01Å; A215-K219 VanDerWaalsContact O-N 3.09Å
216L94.9Very high87.8Confident84 Ų84100.8 Ų100.844%0.4453%0.527SS..Hα-helixtrans-69.2-42.5175.7-68.1173.8000111.9L212 N213 L218 K219 D220L212-L216 HydrophobicContact CD1-CD1 4.45Å; L212-L216 HydrophobicContact CD1-CG 4.49Å; L212-L216 HydrophobicContact CG-CD1 4.34Å; L212-L216 WeakPolarHBondContact O-CG 3.31Å; L212-L216 PolarHBondContact O-N 2.65Å; N213-L216 PolarHBondContact O-N 3.17Å; L216-L218 PolarHBondContact O-N 2.84Å; L216-K219 WeakPolarHBondContact O-CA 3.34Å; L216-K219 WeakPolarHBondContact O-CB 3.32Å; L216-K219 PolarHBondContact O-N 2.86Å; L216-D220 PolarHBondContact O-N 3.23Å
217E92.5Very high85.1Confident110 Ų110101.5 Ų101.551%0.51454%0.541SS..Hα-helixtrans-57.9-38.5173.8-73.1176.2179.600111.9N213 D220 A221N213-E217 PolarHBondContact ND2-OE1 2.96Å; N213-E217 WeakPolarHBondContact O-CG 3.28Å; N213-E217 PolarHBondContact O-N 3.18Å; E217-D220 PolarHBondContact O-N 3.11Å; E217-A221 WeakPolarHBondContact O-CB 3.49Å; E217-A221 PolarHBondContact O-N 3.34Å
218L90.5Very high82.4Confident103 Ų103101.2 Ų101.254%0.53956%0.561SS.*Hα-helixtrans-67.4-38.1175.4-175.6141.5000112.1E214 A215 L216 A221 Q222E214-L218 WeakPolarHBondContact O-CB 3.18Å; E214-L218 PolarHBondContact O-N 2.93Å; A215-L218 PolarHBondContact O-N 3.05Å; L216-L218 PolarHBondContact O-N 2.84Å; L218-A221 PolarHBondContact O-N 2.87Å; L218-Q222 HydrophobicContact CD2-CG 4.48Å; L218-Q222 VanDerWaalsContact CD2-NE2 3.27Å; L218-Q222 WeakPolarHBondContact O-CG 3.25Å; L218-Q222 PolarHBondContact O-N 3.41Å
219K92.6Very high79.4Confident140 Ų14098.9 Ų98.961%0.60957%0.566SS**Hα-helixtrans-61.9-44.4173.9-174-174.6175.7-174.60111.1A215 L216 Q222 A223A215-K219 PolarHBondContact O-N 3.01Å; A215-K219 VanDerWaalsContact O-N 3.09Å; L216-K219 WeakPolarHBondContact O-CA 3.34Å; L216-K219 WeakPolarHBondContact O-CB 3.32Å; L216-K219 PolarHBondContact O-N 2.86Å; K219-Q222 PolarHBondContact O-N 2.8Å; K219-A223 PolarHBondContact O-N 3.2Å
220D91.9Very high76.3Confident114 Ų11499.9 Ų99.961%0.6159%0.587SS**Hα-helixtrans-66.2-42178.4-64.1-24.1000111.6L216 E217 Q222 A223 G224L216-D220 PolarHBondContact O-N 3.23Å; E217-D220 PolarHBondContact O-N 3.11Å; D220-Q222 VanDerWaalsContact C-N 3.25Å; D220-Q222 PolarHBondContact O-N 3.22Å; D220-A223 PolarHBondContact O-N 2.77Å; D220-G224 PolarHBondContact O-N 2.62Å
221A89.3Confident73.4Confident62 Ų62107.5 Ų107.551%0.51262%0.615SS.*Hα-helixtrans-65.3-25.8176.100000113.6E217 L218E217-A221 WeakPolarHBondContact O-CB 3.49Å; E217-A221 PolarHBondContact O-N 3.34Å; L218-A221 PolarHBondContact O-N 2.87Å
222Q82.8Confident70.4Confident122 Ų122105.6 Ų105.657%0.5762%0.624SS**Hα-helixtrans-81.3-40.1173.3-74.3-177.97.300112.3L218 K219 D220 G224 K225L218-Q222 HydrophobicContact CD2-CG 4.48Å; L218-Q222 VanDerWaalsContact CD2-NE2 3.27Å; L218-Q222 WeakPolarHBondContact O-CG 3.25Å; L218-Q222 PolarHBondContact O-N 3.41Å; K219-Q222 PolarHBondContact O-N 2.8Å; D220-Q222 VanDerWaalsContact C-N 3.25Å; D220-Q222 PolarHBondContact O-N 3.22Å; Q222-G224 PolarHBondContact O-N 2.95Å; Q222-K225 WeakPolarHBondContact O-CA 3.28Å; Q222-K225 WeakPolarHBondContact O-CB 3.35Å; Q222-K225 PolarHBondContact O-N 3.42Å
223A83.6Confident67.5Low62 Ų62109.3 Ų109.351%0.51264%0.638SS.*Hα-helixtrans-61.3-32.3176.800000112.5K219 D220 K225K219-A223 PolarHBondContact O-N 3.2Å; D220-A223 PolarHBondContact O-N 2.77Å; A223-K225 PolarHBondContact O-N 2.88Å; A223-K225 VanDerWaalsContact O-N 3.17Å
224G73Confident64.5Low73 Ų73109.8 Ų109.875%0.75365%0.649SS**THydrogen-bonded Turntrans-66.4-9.7172.200000114.9D220 Q222D220-G224 PolarHBondContact O-N 2.62Å; Q222-G224 PolarHBondContact O-N 2.95Å
225K60.9Low61.8Low168 Ų168111.9 Ų111.973%0.7367%0.67SS**SBendtrans-108.352.8177.4-61.5177.2-1771720110.7Q222 A223Q222-K225 WeakPolarHBondContact O-CA 3.28Å; Q222-K225 WeakPolarHBondContact O-CB 3.35Å; Q222-K225 PolarHBondContact O-N 3.42Å; A223-K225 PolarHBondContact O-N 2.88Å; A223-K225 VanDerWaalsContact O-N 3.17Å
226E41.2Very low59Low159 Ų159117.7 Ų117.774%0.74369%0.687SS**  trans-49140.6168.9-82.7-72.3129.500111.1G228E226-G228 PolarHBondContact O-N 3.34Å
227P40.5Very low56.4Low114 Ų114121.1 Ų121.174%0.7471%0.705SS**  trans-73.792.2-17429.8-31.4000109.8G229P227-G229 VanDerWaalsContact C-N 3.32Å; P227-G229 PolarHBondContact O-N 3.01Å
228G37.3Very low53.9Low81 Ų81125.4 Ų125.484%0.83572%0.722SS**  trans-61.792.9168.500000110.5E226E226-G228 PolarHBondContact O-N 3.34Å
229G33Very low51.2Low62 Ų62126.1 Ų126.164%0.63974%0.736SS**  trans-55.9142.5176.300000113.1P227 R231P227-G229 VanDerWaalsContact C-N 3.32Å; P227-G229 PolarHBondContact O-N 3.01Å; G229-R231 PolarHBondContact O-N 2.82Å
230S30.8Very low48.7Very low130 Ų130129.3 Ų129.391%0.90975%0.75SS**  trans-21.498.7160.1-51.80000114.3
231R33.7Very low46.2Very low223 Ų223134.3 Ų134.384%0.84277%0.766SS**  trans-126.9103.8154-84.4-172.8174.4169.40108.9G229 H233G229-R231 PolarHBondContact O-N 2.82Å; R231-H233 PolarHBondContact O-N 3.02Å
232A30.3Very low43.7Very low104 Ų104134.8 Ų134.886%0.8678%0.777SS**  trans-50.2106.1163.700000109S234A232-S234 PolarHBondContact O-N 2.84Å
233H34.8Very low41.6Very low181 Ų181138.2 Ų138.284%0.83879%0.793SS**  trans-80.496.2163.1-94.3-77000107.5R231 S235R231-H233 PolarHBondContact O-N 3.02Å; H233-S235 PolarHBondContact O-N 3.24Å
234S33.4Very low39.6Very low97 Ų97140.5 Ų140.568%0.67881%0.805SS**  trans-56.1125161.360.30000108.5A232 H236A232-S234 PolarHBondContact O-N 2.84Å; S234-H236 PolarHBondContact O-N 3.04Å
235S35.9Very low38.2Very low105 Ų105143.4 Ų143.473%0.73481%0.808SS**  trans-72.496.3176.954.20000109.7H233 L237H233-S235 PolarHBondContact O-N 3.24Å; S235-L237 PolarHBondContact O-N 3.5Å
236H36.1Very low37.3Very low178 Ų178139.9 Ų139.982%0.82481%0.805SS**  trans-79.387.8162.7-114.5-66.6000109S234 K238S234-H236 PolarHBondContact O-N 3.04Å; H236-K238 PolarHBondContact O-N 3.2Å
237L40.1Very low37.4Very low155 Ų155143 Ų14381%0.81281%0.81SS**  trans-66.9110.2166.6-89.1146.8000109.1S235 S239S235-L237 PolarHBondContact O-N 3.5Å; L237-S239 PolarHBondContact O-N 3.17Å
238K41Very low37.4Very low201 Ų201146.3 Ų146.387%0.87482%0.815SS**  trans-78.2115.6169.6-84.9-179.5174.11750110H236H236-K238 PolarHBondContact O-N 3.2Å
239S33.3Very low37.6Very low118 Ų118152.7 Ų152.783%0.82582%0.82SS**  trans-58.8131.1167.5-630000112.7L237L237-S239 PolarHBondContact O-N 3.17Å
240K40.7Very low37.8Very low207 Ų207159.6 Ų159.690%0.983%0.832SS**  trans-157.191.4149.2-117.7178.9-179.5-177.40112.6
241K38.5Very low37.8Very low218 Ų218160.6 Ų160.695%0.94883%0.827SS**  43.7115.9127.8-142.2172.3-173.9179.10119.7
242G36.8Very low38Very low73 Ų73156.9 Ų156.975%0.75382%0.821SS**  trans160.474.1160.900000111.5
243Q38.7Very low38.4Very low194 Ų194160.2 Ų160.291%0.90782%0.816SS**  62.692.698.2-157.1176.231.600115
244S41.3Very low38.6Very low109 Ų109159.7 Ų159.776%0.76281%0.811SS**  -177.1118.6129.842.80000112.3
245T43.8Very low38.7Very low134 Ų134161 Ų16182%0.82282%0.816SS**  trans12.1144.2139.960.60000119.6
246S43.3Very low39.2Very low95 Ų95164.3 Ų164.366%0.66482%0.819SS**  cis-179.6161.4-4.162.30000107.5
247R42.1Very low39.8Very low224 Ų224158.9 Ų158.985%0.84581%0.812SS**  trans104.190.2157.7-63.1179.3180-164.2-1.7118.9
248H40.3Very low40.1Very low184 Ų184157.5 Ų157.585%0.85281%0.812SS**  41.6115.7118.6-75.6-101.6000119.2
249K42.1Very low40.3Very low215 Ų215155.5 Ų155.594%0.93581%0.811SS**  -167.2150106.3-106.5172.8-179.5177.70113.2
250K36.8Very low41.1Very low206 Ų206154.7 Ų154.790%0.89681%0.805SS**  trans-83.6154.3-164.3-113.7171172.21790113.3
251L30.8Very low41.5Very low152 Ų152156.6 Ų156.680%0.79683%0.825SS**  trans-47.2170.6160.7-15083.4000114.8
252M38.8Very low41.6Very low144 Ų144153.5 Ų153.571%0.70982%0.819SS**  trans113129.6165.5-61.5-98.98200110.6
253F38.4Very low41.9Very low175 Ų175157.7 Ų157.777%0.76882%0.822SS**  cis-161.2170.220.6-122.2-121.4000105
254K38.5Very low42Very low169 Ų169155.7 Ų155.774%0.73582%0.818SS**  -179.2135.457.2-167.7171.1178.3-162.60109.3
255T36.5Very low42.1Very low126 Ų126158.5 Ų158.577%0.77382%0.821SS**  trans-71.7140.5165.5-51.60000110.6
256E46.1Very low42Very low173 Ų173160 Ų16081%0.80882%0.821SS**  trans-124.7120.4151.4-71.6-165.5164.600108.3
257G48Very low41.9Very low64 Ų64164.3 Ų164.366%0.6683%0.831SS**  trans-94.9-178.7169.900000111.4
258P47Very low41.9Very low127 Ų127160.1 Ų160.183%0.82583%0.83SS**  trans-109.8164.7-143.639.6-32.4000115.3
259D43.9Very low42Very low159 Ų159158.2 Ų158.285%0.8583%0.829SS**  trans-168.5145.9159.8-100.1-35.3000106.2
260S50.3Low42Very low100 Ų100153.5 Ų153.570%0.69982%0.82SS**  cis-169.8139.24.9-101.90000106.3
261D48.8Very low42.5Very low247 Ų247148.7 Ų148.7100%1.32181%0.813SS**  trans-172.80137.1-111-9.9000109.2

Retrieved 261 of 261 residues in 111 ms (Link to these results)