A0A096M3K8_POEFO Loading...

Sema domain, immunoglobulin domain (Ig), short basic domain, secreted, (semaphorin) 3Fa

AlphaFold DB , UniProt , Accession A0A096M3K8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 416 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
1M91.3Very high95Very high156 Ų15684.2 Ų84.277%0.76843%0.433SS*.  0-35.50-71.5-50.5-71.200114.4I4 R5M1-I4 HydrophobicContact SD-CD1 3.91Å; M1-R5 PolarHBondContact O-N 3.13Å
2A94.6Very high95.1Very high64 Ų6477.6 Ų77.653%0.52940%0.399SS..Hα-helixtrans-60.1-47.6179.600000112.7I4 R5 M6A2-I4 VanDerWaalsContact C-N 3.33Å; A2-I4 PolarHBondContact O-N 3.3Å; A2-R5 PolarHBondContact O-N 3.42Å; A2-R5 VanDerWaalsContact O-N 3.12Å; A2-M6 PolarHBondContact O-N 2.94Å
3D93.9Very high95.1Very high77 Ų7772.1 Ų72.141%0.41237%0.372SS..Hα-helixtrans-62.5-38.7-179-53.6-44.6000113R5 M6 V7D3-R5 PolarHBondContact O-N 3.49Å; D3-M6 WeakPolarHBondContact O-CB 3.49Å; D3-M6 PolarHBondContact O-N 3.34Å; D3-V7 WeakPolarHBondContact O-CG2 3.47Å; D3-V7 PolarHBondContact O-N 3.29Å
4I96.6Very high94.6Very high56 Ų5668.4 Ų68.429%0.28735%0.352SS..Hα-helixtrans-58.9-48.7174.2-60.6178.1000110.3M1 A2 M6 V7 F8 I70M1-I4 HydrophobicContact SD-CD1 3.91Å; A2-I4 VanDerWaalsContact C-N 3.33Å; A2-I4 PolarHBondContact O-N 3.3Å; I4-M6 VanDerWaalsContact C-N 3.33Å; I4-M6 PolarHBondContact O-N 3.27Å; I4-V7 PolarHBondContact O-N 3.4Å; I4-F8 HydrophobicContact CG2-CD2 3.74Å; I4-F8 HydrophobicContact CG2-CE2 3.47Å; I4-F8 VanDerWaalsContact CG2-CE2 3.47Å; I4-F8 WeakPolarHBondContact O-CD2 3.48Å; I4-F8 PolarHBondContact O-N 3.26Å; I4-I70 HydrophobicContact CB-CD1 4.38Å; I4-I70 HydrophobicContact CG1-CD1 4.12Å; I4-I70 HydrophobicContact CG1-CG2 3.88Å; I4-I70 HydrophobicContact CG2-CD1 4.14Å
5R94.6Very high93.8Very high157 Ų15770.4 Ų70.459%0.59236%0.357SS*.Hα-helixtrans-63.7-38.9177.8-71.3-173.7-72.2-166.7-0112M1 A2 D3 V7 F8 N9M1-R5 PolarHBondContact O-N 3.13Å; A2-R5 PolarHBondContact O-N 3.42Å; A2-R5 VanDerWaalsContact O-N 3.12Å; D3-R5 PolarHBondContact O-N 3.49Å; R5-V7 VanDerWaalsContact C-N 3.31Å; R5-V7 PolarHBondContact O-N 3.13Å; R5-F8 PolarHBondContact O-N 2.97Å; R5-N9 WeakPolarHBondContact O-CB 3.41Å; R5-N9 PolarHBondContact O-N 3.41Å; R5-N9 PolarHBondContact O-ND2 3.09Å
6M95.4Very high92.4Very high123 Ų12375.3 Ų75.361%0.60638%0.378SS*.Hα-helixtrans-60.5-41.6175.4-177.717862.600111.4A2 D3 I4 N9 G10A2-M6 PolarHBondContact O-N 2.94Å; D3-M6 WeakPolarHBondContact O-CB 3.49Å; D3-M6 PolarHBondContact O-N 3.34Å; I4-M6 VanDerWaalsContact C-N 3.33Å; I4-M6 PolarHBondContact O-N 3.27Å; M6-N9 CarbonylContact O-C 3.55Å; M6-N9 PolarHBondContact O-N 3.03Å; M6-G10 PolarHBondContact O-N 2.98Å
7V96.9Very high90.9Very high10 Ų1073.2 Ų73.26%0.06138%0.38CS..Hα-helixtrans-65.1-44.6175.5168.80000111.9D3 I4 R5 N9 G10 M66 N68 I70D3-V7 WeakPolarHBondContact O-CG2 3.47Å; D3-V7 PolarHBondContact O-N 3.29Å; I4-V7 PolarHBondContact O-N 3.4Å; R5-V7 VanDerWaalsContact C-N 3.31Å; R5-V7 PolarHBondContact O-N 3.13Å; V7-N9 PolarHBondContact O-N 3.12Å; V7-G10 WeakPolarHBondContact O-CA 3.26Å; V7-G10 PolarHBondContact O-N 2.69Å; V7-M66 HydrophobicContact CG1-CB 3.73Å; V7-M66 HydrophobicContact CG1-CG 4.08Å; V7-M66 VanDerWaalsContact O-CE 3.25Å; V7-M66 WeakPolarHBondContact O-CE 3.32Å; V7-N68 HydrophobicContact CG1-CB 4.45Å; V7-N68 WeakPolarHBondContact CG1-O 3.36Å; V7-N68 HydrophobicContact CG2-CB 4.21Å; V7-I70 HydrophobicContact CB-CG1 3.9Å; V7-I70 HydrophobicContact CG1-CG1 4Å; V7-I70 HydrophobicContact CG2-CG1 3.75Å
8F95.8Very high89.6Confident122 Ų12276.2 Ų76.254%0.53541%0.405SS..Hα-helixtrans-64.1-25.5174.6-75.3-62.2000113.3I4 R5 G10 M66I4-F8 HydrophobicContact CG2-CD2 3.74Å; I4-F8 HydrophobicContact CG2-CE2 3.47Å; I4-F8 VanDerWaalsContact CG2-CE2 3.47Å; I4-F8 WeakPolarHBondContact O-CD2 3.48Å; I4-F8 PolarHBondContact O-N 3.26Å; R5-F8 PolarHBondContact O-N 2.97Å; F8-G10 VanDerWaalsContact C-N 3.31Å; F8-M66 HydrophobicContact CD1-CG 3.95Å; F8-M66 HydrophobicContact CD1-SD 4.28Å; F8-M66 HydrophobicContact CE1-CG 4.33Å; F8-M66 WeakPolarHBondContact O-CE 3.21Å
9N94.3Very high89Confident106 Ų10678.3 Ų78.357%0.56742%0.416SS*.THydrogen-bonded Turntrans-87.52170.6-68.6-26.1000113.4R5 M6 V7 R33R5-N9 WeakPolarHBondContact O-CB 3.41Å; R5-N9 PolarHBondContact O-N 3.41Å; R5-N9 PolarHBondContact O-ND2 3.09Å; M6-N9 CarbonylContact O-C 3.55Å; M6-N9 PolarHBondContact O-N 3.03Å; V7-N9 PolarHBondContact O-N 3.12Å; N9-R33 VanDerWaalsContact C-CZ 3.43Å; N9-R33 PolarHBondContact O-NH1 3.44Å; N9-R33 PolarHBondContact O-NH2 3.44Å
10G95.4Very high88.5Confident12 Ų1282.7 Ų82.712%0.12443%0.428CS..SBendtrans-90.9-178177.700000113.9M6 V7 F8 R33 M66M6-G10 PolarHBondContact O-N 2.98Å; V7-G10 WeakPolarHBondContact O-CA 3.26Å; V7-G10 PolarHBondContact O-N 2.69Å; F8-G10 VanDerWaalsContact C-N 3.31Å; G10-R33 PolarHBondContact O-NH2 3.34Å; G10-M66 WeakPolarHBondContact O-CE 3.44Å
11P96.1Very high88.4Confident43 Ų4384.6 Ų84.628%0.27944%0.435SS..PPolyproline II helixtrans-63.3143.3-179.724.8-32.1000112.1A24 Y67P11-A24 HydrophobicContact CB-CB 4.27Å; P11-A24 HydrophobicContact CG-CB 4.48Å; P11-Y67 HydrophobicContact CG-CD1 4.38Å; P11-Y67 PolarHBondContact O-N 3.18Å
12F96.6Very high88.3Confident5 Ų584.1 Ų84.12%0.02243%0.425CS..BIsolated β-bridgetrans-71.5150.2168-68.1-88.2000109.9Y25 I29 P34 F59 M60 H63 M66F12-Y25 WeakPolarHBondContact O-CB 3.43Å; F12-Y25 PolarHBondContact O-N 2.97Å; F12-I29 HydrophobicContact CD2-CD1 4.09Å; F12-I29 HydrophobicContact CD2-CG1 4.48Å; F12-I29 HydrophobicContact CE2-CD1 4.28Å; F12-I29 HydrophobicContact CE2-CG2 4.2Å; F12-P34 HydrophobicContact CE1-CB 4.42Å; F12-P34 HydrophobicContact CE2-CB 4.36Å; F12-P34 HydrophobicContact CZ-CB 3.8Å; F12-P34 HydrophobicContact CZ-CG 4.49Å; F12-F59 HydrophobicContact CB-CE1 4.33Å; F12-F59 HydrophobicContact CB-CZ 4.42Å; F12-F59 HydrophobicContact CD1-CE1 4.14Å; F12-F59 AromaticContact CD2-CE1 3.59Å; F12-F59 HydrophobicContact CD2-CE1 3.59Å; F12-F59 AromaticContact CD2-CZ 3.94Å; F12-F59 HydrophobicContact CD2-CZ 3.94Å; F12-F59 HydrophobicContact CE1-CE1 4.38Å; F12-F59 AromaticContact CE2-CE1 3.87Å; F12-F59 HydrophobicContact CE2-CE1 3.87Å; F12-F59 AromaticContact CG-CE1 3.75Å; F12-F59 HydrophobicContact CG-CE1 3.75Å; F12-F59 HydrophobicContact CG-CZ 4.21Å; F12-F59 HydrophobicContact CZ-CE1 4.27Å; F12-M60 HydrophobicContact CE1-SD 4.29Å; F12-H63 HydrophobicContact CB-CB 4.11Å; F12-H63 HydrophobicContact CD1-CB 4.17Å; F12-H63 VanDerWaalsContact CD1-O 3.31Å; F12-H63 WeakPolarHBondContact CD1-O 3.36Å; F12-H63 HydrophobicContact CG-CB 4.31Å; F12-M66 HydrophobicContact CD1-CE 4.12Å; F12-M66 HydrophobicContact CD1-SD 3.7Å; F12-M66 HydrophobicContact CE1-CE 4.13Å; F12-M66 HydrophobicContact CE1-SD 3.65Å; F12-M66 HydrophobicContact CG-CE 4.31Å; F12-M66 HydrophobicContact CG-SD 4.43Å; F12-M66 HydrophobicContact CZ-CE 4.32Å; F12-M66 HydrophobicContact CZ-SD 4.33Å
13A94.3Very high88.1Confident6 Ų684 Ų845%0.0542%0.418CS..EExtended strand (participates in β ladder)trans-84.8144168.400000109.1W22 V23 T65 Y67A13-W22 HydrophobicContact CB-CE3 3.67Å; A13-W22 HydrophobicContact CB-CZ3 4.01Å; A13-V23 WeakPolarHBondContact CA-O 3.36Å; A13-T65 PolarHBondContact N-O 3Å; A13-Y67 HydrophobicContact CB-CD2 4.46Å
14H89.2Confident88.1Confident21 Ų2181.9 Ų81.910%0.09741%0.41CS..EExtended strand (participates in β ladder)trans-143152.2-179.1-177.961.2000110.8E16 W22 V23 Y25 H63H14-E16 WeakPolarHBondContact CE1-CG 3.37Å; H14-E16 IonicContact CE1-OE1 3.13Å; H14-E16 PolarHBondContact CE1-OE1 3.21Å; H14-E16 IonicContact CE1-OE2 3.78Å; H14-E16 WeakPolarHBondContact NE2-CB 3.33Å; H14-E16 WeakPolarHBondContact NE2-CG 3.4Å; H14-E16 IonicContact NE2-OE1 3.33Å; H14-E16 PolarHBondContact NE2-OE1 3.39Å; H14-E16 IonicContact NE2-OE2 3.13Å; H14-E16 PolarHBondContact NE2-OE2 3.16Å; H14-E16 VanDerWaalsContact NE2-OE2 3.13Å; H14-W22 WeakPolarHBondContact O-CA 3.42Å; H14-V23 PolarHBondContact N-O 3.39Å; H14-V23 PolarHBondContact O-N 2.76Å; H14-Y25 HydrophobicContact CB-CD2 3.9Å; H14-Y25 HydrophobicContact CB-CG 4.43Å; H14-Y25 AromaticContact CG-CD2 3.9Å; H14-H63 AromaticContact CE1-NE2 3.37Å; H14-H63 PolarHBondContact CE1-NE2 3.39Å; H14-H63 AromaticContact CG-CD2 3.79Å; H14-H63 AromaticContact CG-NE2 3.46Å; H14-H63 AromaticContact ND1-CD2 3.34Å; H14-H63 PolarHBondContact ND1-CD2 2.86Å; H14-H63 VanDerWaalsContact ND1-CD2 3.34Å; H14-H63 AromaticContact ND1-CE1 3.82Å; H14-H63 AromaticContact ND1-NE2 2.84Å; H14-H63 PolarHBondContact ND1-NE2 3.39Å
15K82.6Confident88Confident98 Ų9881.8 Ų81.843%0.42641%0.407SS..  trans-128.563.2-174.6-164.9-170.5-179-168.30109.9Y20 W22K15-Y20 WeakPolarHBondContact CE-O 3.42Å; K15-W22 HydrophobicContact CB-CD2 4.29Å; K15-W22 HydrophobicContact CB-CE3 4.16Å; K15-W22 HydrophobicContact CB-CZ3 4.33Å
16E70.4Confident87.8Confident149 Ų14981 Ų8170%0.69642%0.419SS*.  trans-118.7137.6167.8-76.2171.6-165.600110.6H14H14-E16 WeakPolarHBondContact CE1-CG 3.37Å; H14-E16 IonicContact CE1-OE1 3.13Å; H14-E16 PolarHBondContact CE1-OE1 3.21Å; H14-E16 IonicContact CE1-OE2 3.78Å; H14-E16 WeakPolarHBondContact NE2-CB 3.33Å; H14-E16 WeakPolarHBondContact NE2-CG 3.4Å; H14-E16 IonicContact NE2-OE1 3.33Å; H14-E16 PolarHBondContact NE2-OE1 3.39Å; H14-E16 IonicContact NE2-OE2 3.13Å; H14-E16 PolarHBondContact NE2-OE2 3.16Å; H14-E16 VanDerWaalsContact NE2-OE2 3.13Å
17G67.1Low87.6Confident40 Ų4076.9 Ų76.941%0.41241%0.409SS..SBendtrans140.8161.9-179.800000111.9N19 Y20G17-N19 PolarHBondContact O-N 2.82Å; G17-Y20 PolarHBondContact O-N 2.93Å
18P68.7Low87.5Confident126 Ų12684.1 Ų84.182%0.81844%0.439SS*.THydrogen-bonded Turntrans-58.8-26.2-175.121.8-32.3000113.5
19N76.8Confident87.5Confident117 Ų11781.2 Ų81.263%0.62643%0.429SS*.THydrogen-bonded Turntrans-94.6-3.2-177.4-61.5-17000113.9G17 Q21G17-N19 PolarHBondContact O-N 2.82Å; N19-Q21 HydrophobicContact CB-CG 4.02Å; N19-Q21 PolarHBondContact O-N 3.07Å
20Y80.5Confident87.5Confident165 Ų16576.3 Ų76.365%0.64740%0.403SS*.  trans50.243.2179.7-80.1-87.5000113.3K15 G17K15-Y20 WeakPolarHBondContact CE-O 3.42Å; G17-Y20 PolarHBondContact O-N 2.93Å
21Q86.2Confident87.5Confident124 Ų12483.5 Ų83.558%0.57943%0.427SS*.  trans-98.8148.4179.9-69.2177.7-7.600111N19 V23N19-Q21 HydrophobicContact CB-CG 4.02Å; N19-Q21 PolarHBondContact O-N 3.07Å; Q21-V23 PolarHBondContact O-N 2.8Å
22W87.8Confident87.4Confident145 Ų14581.6 Ų81.655%0.54942%0.415SS..  trans-73.8117.6171.7-72.6104.9000109.8A13 H14 K15 T65A13-W22 HydrophobicContact CB-CE3 3.67Å; A13-W22 HydrophobicContact CB-CZ3 4.01Å; H14-W22 WeakPolarHBondContact O-CA 3.42Å; K15-W22 HydrophobicContact CB-CD2 4.29Å; K15-W22 HydrophobicContact CB-CE3 4.16Å; K15-W22 HydrophobicContact CB-CZ3 4.33Å; W22-T65 WeakPolarHBondContact CZ3-OG1 3.49Å
23V91.9Very high87.3Confident63 Ų6384.7 Ų84.738%0.38243%0.426SS..EExtended strand (participates in β ladder)trans-127.7163.5177.8-64.10000110.2A13 H14 Q21 Y25A13-V23 WeakPolarHBondContact CA-O 3.36Å; H14-V23 PolarHBondContact N-O 3.39Å; H14-V23 PolarHBondContact O-N 2.76Å; Q21-V23 PolarHBondContact O-N 2.8Å; V23-Y25 PolarHBondContact O-N 3.17Å
24A94.1Very high87.4Confident31 Ų3184.7 Ų84.726%0.25643%0.426SS..EExtended strand (participates in β ladder)trans-67.2129172.400000109.6P11 T26 Y67P11-A24 HydrophobicContact CB-CB 4.27Å; P11-A24 HydrophobicContact CG-CB 4.48Å; A24-T26 PolarHBondContact O-N 3.42Å; A24-Y67 HydrophobicContact CB-CD1 3.71Å; A24-Y67 HydrophobicContact CB-CD2 4.03Å; A24-Y67 HydrophobicContact CB-CE1 3.95Å; A24-Y67 HydrophobicContact CB-CE2 4.26Å; A24-Y67 HydrophobicContact CB-CG 3.74Å; A24-Y67 VanDerWaalsContact N-CD2 3.32Å
25Y93Very high87.5Confident54 Ų5486.5 Ų86.521%0.21245%0.45CS..  trans-67.6118.5174-175.7-100.3000110.1F12 H14 V23 G27 K28 I29 F59 H63F12-Y25 WeakPolarHBondContact O-CB 3.43Å; F12-Y25 PolarHBondContact O-N 2.97Å; H14-Y25 HydrophobicContact CB-CD2 3.9Å; H14-Y25 HydrophobicContact CB-CG 4.43Å; H14-Y25 AromaticContact CG-CD2 3.9Å; V23-Y25 PolarHBondContact O-N 3.17Å; Y25-G27 VanDerWaalsContact CE1-CA 3.41Å; Y25-G27 VanDerWaalsContact CE1-O 3.23Å; Y25-G27 WeakPolarHBondContact CE1-O 3.37Å; Y25-G27 VanDerWaalsContact CZ-CA 3.47Å; Y25-K28 PolarHBondContact OH-O 3.32Å; Y25-I29 HydrophobicContact CD1-CG1 4.19Å; Y25-I29 HydrophobicContact CE1-CG1 4.25Å; Y25-F59 HydrophobicContact CD1-CE2 4.03Å; Y25-F59 AromaticContact CD1-CZ 3.85Å; Y25-F59 HydrophobicContact CD1-CZ 3.85Å; Y25-F59 AromaticContact CE1-CE2 3.5Å; Y25-F59 HydrophobicContact CE1-CE2 3.5Å; Y25-F59 VanDerWaalsContact CE1-CE2 3.5Å; Y25-F59 AromaticContact CE1-CZ 3.8Å; Y25-F59 HydrophobicContact CE1-CZ 3.8Å; Y25-F59 HydrophobicContact CE2-CE2 4.3Å; Y25-F59 HydrophobicContact CG-CZ 4.36Å; Y25-F59 AromaticContact CZ-CE2 3.66Å; Y25-H63 AromaticContact CD2-CD2 3.95Å; Y25-H63 AromaticContact CD2-NE2 3.46Å; Y25-H63 WeakPolarHBondContact CD2-NE2 3.47Å; Y25-H63 AromaticContact CE2-NE2 3.62Å
26T91.2Very high88Confident141 Ų14184.1 Ų84.187%0.86544%0.444SS*.  trans-104.2-4.5-179.553.90000113.3A24A24-T26 PolarHBondContact O-N 3.42Å
27G91.2Very high89Confident37 Ų3782 Ų8238%0.38145%0.445SS..SBendtrans-74.6-174.4179.400000113.4Y25 I29Y25-G27 VanDerWaalsContact CE1-CA 3.41Å; Y25-G27 VanDerWaalsContact CE1-O 3.23Å; Y25-G27 WeakPolarHBondContact CE1-O 3.37Å; Y25-G27 VanDerWaalsContact CZ-CA 3.47Å; G27-I29 PolarHBondContact O-N 2.95Å
28K93.8Very high90.3Very high162 Ų16282.2 Ų82.270%0.70444%0.438SS*.PPolyproline II helixtrans-73.3121.3179.3-173.9-173.8176.2-1650110.4Y25Y25-K28 PolarHBondContact OH-O 3.32Å
29I95.8Very high91.3Very high60 Ų6077.4 Ų77.431%0.30841%0.412SS..PPolyproline II helixtrans-82.7126.6170.4-59.6174.9000107.9F12 Y25 G27 R33 P34 F59F12-I29 HydrophobicContact CD2-CD1 4.09Å; F12-I29 HydrophobicContact CD2-CG1 4.48Å; F12-I29 HydrophobicContact CE2-CD1 4.28Å; F12-I29 HydrophobicContact CE2-CG2 4.2Å; Y25-I29 HydrophobicContact CD1-CG1 4.19Å; Y25-I29 HydrophobicContact CE1-CG1 4.25Å; G27-I29 PolarHBondContact O-N 2.95Å; I29-R33 HydrophobicContact CG2-CG 4.31Å; I29-P34 HydrophobicContact CG2-CG 4.14Å; I29-F59 HydrophobicContact CG1-CZ 4.4Å
30P95.8Very high91.7Very high4 Ų475 Ų753%0.02641%0.414CS..PPolyproline II helixtrans-68.6163.4-179.229.2-35.6000111.9P32 P34 E55 V56 F59P30-P32 CarbonylContact O-C 3.49Å; P30-P34 HydrophobicContact CG-CG 3.72Å; P30-P34 WeakPolarHBondContact O-CD 3.32Å; P30-E55 HydrophobicContact CB-CB 4.46Å; P30-E55 HydrophobicContact CB-CG 3.85Å; P30-E55 HydrophobicContact CG-CG 4.41Å; P30-V56 HydrophobicContact CB-CG2 3.95Å; P30-V56 HydrophobicContact CG-CG2 4.17Å; P30-F59 VanDerWaalsContact CD-CD2 3.49Å; P30-F59 HydrophobicContact CG-CB 3.72Å; P30-F59 HydrophobicContact CG-CD2 4.06Å; P30-F59 HydrophobicContact CG-CG 3.86Å
31Y93.8Very high92Very high163 Ų16372.9 Ų72.964%0.63942%0.419SS*.SBendtrans-114.7138.1178.8-179.9-92.2000111.1F42Y31-F42 PolarHBondContact OH-O 2.98Å
32P94.1Very high91.9Very high2 Ų274.3 Ų74.31%0.01342%0.424CS..SBendcis-63.8157.8-5.430.3-39.5000112.4P30 P34 T43 M46 Y52 V56P30-P32 CarbonylContact O-C 3.49Å; P32-P34 WeakPolarHBondContact O-CD 3.27Å; P32-P34 VanDerWaalsContact O-N 3.16Å; P32-T43 HydrophobicContact CB-CG2 3.35Å; P32-T43 HydrophobicContact CG-CG2 3.91Å; P32-M46 HydrophobicContact CG-CE 4.16Å; P32-M46 HydrophobicContact CG-SD 3.69Å; P32-Y52 HydrophobicContact CG-CD1 3.87Å; P32-Y52 HydrophobicContact CG-CE1 3.7Å; P32-Y52 HydrophobicContact CG-CG 4.37Å; P32-V56 WeakPolarHBondContact O-CG2 3.32Å
33R95Very high91.9Very high71 Ų7167.6 Ų67.627%0.26840%0.399SS..PPolyproline II helixtrans-55.9124.9-176.4-177.8-177.6-172.2136.19.6109.9N9 G10 I29 G35 T36N9-R33 VanDerWaalsContact C-CZ 3.43Å; N9-R33 PolarHBondContact O-NH1 3.44Å; N9-R33 PolarHBondContact O-NH2 3.44Å; G10-R33 PolarHBondContact O-NH2 3.34Å; I29-R33 HydrophobicContact CG2-CG 4.31Å; R33-G35 PolarHBondContact O-N 2.96Å; R33-T36 VanDerWaalsContact O-CB 3.25Å; R33-T36 WeakPolarHBondContact O-CB 3.42Å; R33-T36 PolarHBondContact O-N 3.27Å; R33-T36 PolarHBondContact O-OG1 3.42Å
34P95.6Very high91.8Very high5 Ų568.7 Ų68.73%0.03241%0.407CS..THydrogen-bonded Turntrans-46.2129.3175.1-30.836.3000112.1F12 I29 P30 P32 V56 F59 M60F12-P34 HydrophobicContact CE1-CB 4.42Å; F12-P34 HydrophobicContact CE2-CB 4.36Å; F12-P34 HydrophobicContact CZ-CB 3.8Å; F12-P34 HydrophobicContact CZ-CG 4.49Å; I29-P34 HydrophobicContact CG2-CG 4.14Å; P30-P34 HydrophobicContact CG-CG 3.72Å; P30-P34 WeakPolarHBondContact O-CD 3.32Å; P32-P34 WeakPolarHBondContact O-CD 3.27Å; P32-P34 VanDerWaalsContact O-N 3.16Å; P34-V56 HydrophobicContact CB-CG1 4.4Å; P34-V56 HydrophobicContact CG-CG1 4.17Å; P34-F59 HydrophobicContact CB-CD1 3.83Å; P34-F59 HydrophobicContact CB-CE1 4.36Å; P34-F59 HydrophobicContact CG-CB 4.27Å; P34-F59 HydrophobicContact CG-CD1 3.43Å; P34-F59 VanDerWaalsContact CG-CD1 3.43Å; P34-F59 HydrophobicContact CG-CE1 4.01Å; P34-F59 HydrophobicContact CG-CG 4Å; P34-M60 HydrophobicContact CB-CG 3.61Å; P34-M60 HydrophobicContact CB-SD 3.23Å; P34-M60 WeakPolarHBondContact CB-SD 3.45Å
35G92.6Very high91.6Very high60 Ų6074.3 Ų74.362%0.61943%0.433SS*.THydrogen-bonded Turntrans89.1-5.5-177.500000116R33 M60R33-G35 PolarHBondContact O-N 2.96Å; G35-M60 PolarHBondContact N-SD 3.3Å; G35-M60 VanDerWaalsContact N-SD 3.42Å
36T92.5Very high91.6Very high48 Ų4873.5 Ų73.529%0.29443%0.431SS..PPolyproline II helixtrans-70.4140174.2-53.30000110.7R33 Y52R33-T36 VanDerWaalsContact O-CB 3.25Å; R33-T36 WeakPolarHBondContact O-CB 3.42Å; R33-T36 PolarHBondContact O-N 3.27Å; R33-T36 PolarHBondContact O-OG1 3.42Å; T36-Y52 WeakPolarHBondContact O-CE2 3.36Å; T36-Y52 PolarHBondContact O-OH 3.48Å
37C92.5Very high91.6Very high104 Ų10476 Ų7670%0.70343%0.431SS*.PPolyproline II helixtrans-74140.3174.4-60.40000111.2Y52C37-Y52 VanDerWaalsContact C-OH 3.27Å
38P93.6Very high91.7Very high44 Ų4476.6 Ų76.629%0.28643%0.428SS..SBendtrans-58.8151175.9-21.930.9000112.9S48 T49 Y52P38-S48 VanDerWaalsContact CG-C 3.49Å; P38-T49 HydrophobicContact CG-CG2 3.62Å; P38-Y52 WeakPolarHBondContact CA-OH 3.39Å; P38-Y52 HydrophobicContact CG-CE1 4.31Å; P38-Y52 VanDerWaalsContact N-OH 3.17Å
39G89Confident91.6Very high26 Ų2673 Ų7327%0.26842%0.42SS..BIsolated β-bridgetrans87.4-164.3-178.300000114.2T43 M46G39-T43 WeakPolarHBondContact CA-O 3.11Å; G39-T43 PolarHBondContact N-O 2.94Å; G39-T43 PolarHBondContact N-OG1 3.5Å; G39-T43 PolarHBondContact O-N 3.44Å; G39-T43 PolarHBondContact O-OG1 2.9Å; G39-M46 PolarHBondContact N-O 3.47Å
40G86.6Confident91.5Very high65 Ų6578.8 Ų78.867%0.6744%0.443SS*.THydrogen-bonded Turntrans70.8-164.2-177.200000114.1
41T85.1Confident91.4Very high122 Ų12282.5 Ų82.575%0.74846%0.463SS*.THydrogen-bonded Turntrans-73.5-28.3-175.350.90000113.5
42F83.9Confident91.5Very high153 Ų15375.7 Ų75.767%0.67144%0.436SS*.THydrogen-bonded Turntrans-92.2-19.8-174.2-61.7-74.8000113.8Y31Y31-F42 PolarHBondContact OH-O 2.98Å
43T89.1Confident91.6Very high4 Ų478.2 Ų78.23%0.02545%0.453CS..BIsolated β-bridgetrans-137.556.9177.347.20000111.6P32 G39 N45 M46P32-T43 HydrophobicContact CB-CG2 3.35Å; P32-T43 HydrophobicContact CG-CG2 3.91Å; G39-T43 WeakPolarHBondContact CA-O 3.11Å; G39-T43 PolarHBondContact N-O 2.94Å; G39-T43 PolarHBondContact N-OG1 3.5Å; G39-T43 PolarHBondContact O-N 3.44Å; G39-T43 PolarHBondContact O-OG1 2.9Å; T43-N45 PolarHBondContact O-N 3.33Å; T43-M46 HydrophobicContact CG2-SD 3.79Å; T43-M46 PolarHBondContact O-N 3.48Å
44P89Confident91.7Very high86 Ų8681.6 Ų81.656%0.55848%0.476SS*.THydrogen-bonded Turntrans-64.6-27.3-171.626.2-35.2000113.5
45N90.4Very high91.7Very high150 Ų15087 Ų8780%0.80250%0.501SS*.THydrogen-bonded Turntrans-90.5-5.4-177.2-62.3-22.8000113.6T43T43-N45 PolarHBondContact O-N 3.33Å
46M92.3Very high91.9Very high36 Ų3684.2 Ų84.218%0.17747%0.472CS..  trans-106113.3-178-65.5163.5170.900108.8P32 G39 T43 D51 Y52P32-M46 HydrophobicContact CG-CE 4.16Å; P32-M46 HydrophobicContact CG-SD 3.69Å; G39-M46 PolarHBondContact N-O 3.47Å; T43-M46 HydrophobicContact CG2-SD 3.79Å; T43-M46 PolarHBondContact O-N 3.48Å; M46-D51 HydrophobicContact CB-CB 4.18Å; M46-D51 HydrophobicContact CG-CB 4.15Å; M46-Y52 HydrophobicContact CB-CD1 4.36Å; M46-Y52 HydrophobicContact CB-CE1 4.05Å; M46-Y52 HydrophobicContact CE-CD1 4.37Å; M46-Y52 HydrophobicContact CG-CD1 4.24Å; M46-Y52 HydrophobicContact CG-CE1 4.25Å; M46-Y52 HydrophobicContact SD-CD1 3.5Å; M46-Y52 VanDerWaalsContact SD-CD1 3.5Å; M46-Y52 HydrophobicContact SD-CE1 3.47Å; M46-Y52 WeakPolarHBondContact SD-CE1 3.41Å
47K91.7Very high92Very high195 Ų19584.5 Ų84.585%0.84847%0.471SS*.  trans-93.8-23.3-176.9-64.1-177.9-178.5178.40111.7D51K47-D51 PolarHBondContact N-OD2 2.96Å
48S93.3Very high92.1Very high48 Ų4883.9 Ų83.934%0.33646%0.46SS..SBendtrans-139.6160.3-179.7-170.70000111.4P38 K50 D51P38-S48 VanDerWaalsContact CG-C 3.49Å; S48-K50 PolarHBondContact O-N 3.08Å; S48-K50 VanDerWaalsContact O-N 3.17Å; S48-D51 PolarHBondContact N-OD2 3Å; S48-D51 WeakPolarHBondContact O-CB 3.39Å; S48-D51 PolarHBondContact O-N 2.98Å
49T92.4Very high92.2Very high87 Ų8782.5 Ų82.553%0.53445%0.45SS..G310 helixtrans-63.7-16.217250.40000112.6P38 D51 Y52P38-T49 HydrophobicContact CG-CG2 3.62Å; T49-D51 PolarHBondContact O-N 3.06Å; T49-Y52 HydrophobicContact CG2-CE2 4.45Å; T49-Y52 WeakPolarHBondContact O-CB 3.43Å; T49-Y52 PolarHBondContact O-N 2.83Å
50K93.6Very high92.5Very high182 Ų18284.5 Ų84.579%0.79145%0.453SS*.G310 helixtrans-68.3-21.8171.3-64-176.4179.7-178.70113.4S48 Y52S48-K50 PolarHBondContact O-N 3.08Å; S48-K50 VanDerWaalsContact O-N 3.17Å; K50-Y52 PolarHBondContact O-N 3.41Å
51D94.3Very high92.9Very high81 Ų8190.3 Ų90.343%0.43346%0.455SS..G310 helixtrans-85.20.9-179.3-51.2-32.4000111.7M46 K47 S48 T49M46-D51 HydrophobicContact CB-CB 4.18Å; M46-D51 HydrophobicContact CG-CB 4.15Å; K47-D51 PolarHBondContact N-OD2 2.96Å; S48-D51 PolarHBondContact N-OD2 3Å; S48-D51 WeakPolarHBondContact O-CB 3.39Å; S48-D51 PolarHBondContact O-N 2.98Å; T49-D51 PolarHBondContact O-N 3.06Å
52Y95.1Very high93.2Very high21 Ų2189.2 Ų89.28%0.08244%0.444CS..SBendtrans-79139.5179.8-74.7-4.5000111.9P32 T36 C37 P38 M46 T49 K50 V56P32-Y52 HydrophobicContact CG-CD1 3.87Å; P32-Y52 HydrophobicContact CG-CE1 3.7Å; P32-Y52 HydrophobicContact CG-CG 4.37Å; T36-Y52 WeakPolarHBondContact O-CE2 3.36Å; T36-Y52 PolarHBondContact O-OH 3.48Å; C37-Y52 VanDerWaalsContact C-OH 3.27Å; P38-Y52 WeakPolarHBondContact CA-OH 3.39Å; P38-Y52 HydrophobicContact CG-CE1 4.31Å; P38-Y52 VanDerWaalsContact N-OH 3.17Å; M46-Y52 HydrophobicContact CB-CD1 4.36Å; M46-Y52 HydrophobicContact CB-CE1 4.05Å; M46-Y52 HydrophobicContact CE-CD1 4.37Å; M46-Y52 HydrophobicContact CG-CD1 4.24Å; M46-Y52 HydrophobicContact CG-CE1 4.25Å; M46-Y52 HydrophobicContact SD-CD1 3.5Å; M46-Y52 VanDerWaalsContact SD-CD1 3.5Å; M46-Y52 HydrophobicContact SD-CE1 3.47Å; M46-Y52 WeakPolarHBondContact SD-CE1 3.41Å; T49-Y52 HydrophobicContact CG2-CE2 4.45Å; T49-Y52 WeakPolarHBondContact O-CB 3.43Å; T49-Y52 PolarHBondContact O-N 2.83Å; K50-Y52 PolarHBondContact O-N 3.41Å; Y52-V56 HydrophobicContact CD2-CG1 4.39Å
53P95.8Very high93.7Very high55 Ų5582.5 Ų82.536%0.35742%0.415SS..  trans-59.7146.4175.6-21.732.2000112.4E55 V56 I57P53-E55 PolarHBondContact O-N 3.38Å; P53-E55 VanDerWaalsContact O-N 3.13Å; P53-V56 HydrophobicContact CB-CG2 4.43Å; P53-V56 HydrophobicContact CG-CG2 4.38Å; P53-V56 WeakPolarHBondContact O-CB 3.32Å; P53-V56 PolarHBondContact O-N 3.47Å; P53-I57 PolarHBondContact O-N 3.2Å
54D96.5Very high93.9Very high142 Ų14286.5 Ų86.576%0.75944%0.441SS*.Hα-helixtrans-56.4-31.9177.8-72.2-28.5000112.8V56 I57 N58D54-V56 VanDerWaalsContact C-N 3.32Å; D54-V56 PolarHBondContact O-N 3.06Å; D54-I57 PolarHBondContact O-N 2.98Å; D54-N58 VanDerWaalsContact O-CB 3.29Å; D54-N58 WeakPolarHBondContact O-CB 3.39Å; D54-N58 PolarHBondContact O-N 2.86Å
55E96.4Very high94.1Very high118 Ų11885.3 Ų85.355%0.55143%0.433SS*.Hα-helixtrans-58.8-42.7175.3-170.2-174175.800111.7P30 P53 F59P30-E55 HydrophobicContact CB-CB 4.46Å; P30-E55 HydrophobicContact CB-CG 3.85Å; P30-E55 HydrophobicContact CG-CG 4.41Å; P53-E55 PolarHBondContact O-N 3.38Å; P53-E55 VanDerWaalsContact O-N 3.13Å; E55-F59 VanDerWaalsContact O-CB 3.23Å; E55-F59 WeakPolarHBondContact O-CB 3.49Å; E55-F59 PolarHBondContact O-N 2.73Å
56V96.1Very high94.4Very high2 Ų280 Ų801%0.01240%0.403CS..Hα-helixtrans-66.2-42.3177.41780000110.4P30 P32 P34 Y52 P53 D54 F59 M60P30-V56 HydrophobicContact CB-CG2 3.95Å; P30-V56 HydrophobicContact CG-CG2 4.17Å; P32-V56 WeakPolarHBondContact O-CG2 3.32Å; P34-V56 HydrophobicContact CB-CG1 4.4Å; P34-V56 HydrophobicContact CG-CG1 4.17Å; Y52-V56 HydrophobicContact CD2-CG1 4.39Å; P53-V56 HydrophobicContact CB-CG2 4.43Å; P53-V56 HydrophobicContact CG-CG2 4.38Å; P53-V56 WeakPolarHBondContact O-CB 3.32Å; P53-V56 PolarHBondContact O-N 3.47Å; D54-V56 VanDerWaalsContact C-N 3.32Å; D54-V56 PolarHBondContact O-N 3.06Å; V56-F59 PolarHBondContact O-N 2.97Å; V56-M60 PolarHBondContact O-N 3.44Å
57I95.6Very high94.6Very high54 Ų5483.9 Ų83.928%0.27742%0.417SS..Hα-helixtrans-66.2-45.5179.4-57.4-55.7000111P53 D54 F59 M60 R61P53-I57 PolarHBondContact O-N 3.2Å; D54-I57 PolarHBondContact O-N 2.98Å; I57-F59 VanDerWaalsContact C-N 3.35Å; I57-M60 PolarHBondContact O-N 3.16Å; I57-R61 WeakPolarHBondContact O-CG 3.42Å; I57-R61 PolarHBondContact O-N 3.23Å; I57-R61 VanDerWaalsContact O-N 3.16Å
58N95.3Very high94.8Very high90 Ų9078.2 Ų78.248%0.48140%0.396SS..Hα-helixtrans-66.1-39.7178.7-162.935000111.2D54 R61 N62D54-N58 VanDerWaalsContact O-CB 3.29Å; D54-N58 WeakPolarHBondContact O-CB 3.39Å; D54-N58 PolarHBondContact O-N 2.86Å; N58-R61 PolarHBondContact O-N 3.37Å; N58-N62 PolarHBondContact O-N 3.46Å; N58-N62 VanDerWaalsContact O-N 3.17Å; N58-N62 PolarHBondContact O-ND2 3.49Å
59F95.8Very high94.9Very high16 Ų1678.6 Ų78.67%0.0740%0.402CS..Hα-helixtrans-58.7-50174.1-172.9-79.3000111.7F12 Y25 I29 P30 P34 E55 V56 I57 R61 N62 H63F12-F59 HydrophobicContact CB-CE1 4.33Å; F12-F59 HydrophobicContact CB-CZ 4.42Å; F12-F59 HydrophobicContact CD1-CE1 4.14Å; F12-F59 AromaticContact CD2-CE1 3.59Å; F12-F59 HydrophobicContact CD2-CE1 3.59Å; F12-F59 AromaticContact CD2-CZ 3.94Å; F12-F59 HydrophobicContact CD2-CZ 3.94Å; F12-F59 HydrophobicContact CE1-CE1 4.38Å; F12-F59 AromaticContact CE2-CE1 3.87Å; F12-F59 HydrophobicContact CE2-CE1 3.87Å; F12-F59 AromaticContact CG-CE1 3.75Å; F12-F59 HydrophobicContact CG-CE1 3.75Å; F12-F59 HydrophobicContact CG-CZ 4.21Å; F12-F59 HydrophobicContact CZ-CE1 4.27Å; Y25-F59 HydrophobicContact CD1-CE2 4.03Å; Y25-F59 AromaticContact CD1-CZ 3.85Å; Y25-F59 HydrophobicContact CD1-CZ 3.85Å; Y25-F59 AromaticContact CE1-CE2 3.5Å; Y25-F59 HydrophobicContact CE1-CE2 3.5Å; Y25-F59 VanDerWaalsContact CE1-CE2 3.5Å; Y25-F59 AromaticContact CE1-CZ 3.8Å; Y25-F59 HydrophobicContact CE1-CZ 3.8Å; Y25-F59 HydrophobicContact CE2-CE2 4.3Å; Y25-F59 HydrophobicContact CG-CZ 4.36Å; Y25-F59 AromaticContact CZ-CE2 3.66Å; I29-F59 HydrophobicContact CG1-CZ 4.4Å; P30-F59 VanDerWaalsContact CD-CD2 3.49Å; P30-F59 HydrophobicContact CG-CB 3.72Å; P30-F59 HydrophobicContact CG-CD2 4.06Å; P30-F59 HydrophobicContact CG-CG 3.86Å; P34-F59 HydrophobicContact CB-CD1 3.83Å; P34-F59 HydrophobicContact CB-CE1 4.36Å; P34-F59 HydrophobicContact CG-CB 4.27Å; P34-F59 HydrophobicContact CG-CD1 3.43Å; P34-F59 VanDerWaalsContact CG-CD1 3.43Å; P34-F59 HydrophobicContact CG-CE1 4.01Å; P34-F59 HydrophobicContact CG-CG 4Å; E55-F59 VanDerWaalsContact O-CB 3.23Å; E55-F59 WeakPolarHBondContact O-CB 3.49Å; E55-F59 PolarHBondContact O-N 2.73Å; V56-F59 PolarHBondContact O-N 2.97Å; I57-F59 VanDerWaalsContact C-N 3.35Å; F59-R61 VanDerWaalsContact C-N 3.27Å; F59-R61 PolarHBondContact O-N 3.22Å; F59-N62 PolarHBondContact O-N 3.38Å; F59-N62 VanDerWaalsContact O-N 3.12Å; F59-H63 HydrophobicContact CD1-CB 4.03Å; F59-H63 AromaticContact CD1-ND1 3.91Å; F59-H63 AromaticContact CD2-ND1 3.81Å; F59-H63 HydrophobicContact CE1-CB 3.64Å; F59-H63 AromaticContact CE1-CG 3.77Å; F59-H63 AromaticContact CE1-ND1 3.89Å; F59-H63 AromaticContact CE2-CE1 3.86Å; F59-H63 AromaticContact CE2-ND1 3.79Å; F59-H63 AromaticContact CG-ND1 3.88Å; F59-H63 HydrophobicContact CZ-CB 4.13Å; F59-H63 AromaticContact CZ-CG 3.78Å; F59-H63 AromaticContact CZ-ND1 3.82Å; F59-H63 WeakPolarHBondContact O-CB 3.42Å; F59-H63 PolarHBondContact O-N 3.28Å; F59-H63 PolarHBondContact O-ND1 3.47Å
60M94.8Very high95.1Very high67 Ų6778.7 Ų78.733%0.3340%0.398SS..Hα-helixtrans-57.6-38.7178.2-82-56.8-65.500112.8F12 P34 G35 V56 I57 N62 H63F12-M60 HydrophobicContact CE1-SD 4.29Å; P34-M60 HydrophobicContact CB-CG 3.61Å; P34-M60 HydrophobicContact CB-SD 3.23Å; P34-M60 WeakPolarHBondContact CB-SD 3.45Å; G35-M60 PolarHBondContact N-SD 3.3Å; G35-M60 VanDerWaalsContact N-SD 3.42Å; V56-M60 PolarHBondContact O-N 3.44Å; I57-M60 PolarHBondContact O-N 3.16Å; M60-N62 VanDerWaalsContact C-N 3.31Å; M60-N62 PolarHBondContact O-N 3.19Å; M60-H63 CarbonylContact O-C 3.55Å; M60-H63 PolarHBondContact O-N 3.08Å
61R93.7Very high95.2Very high188 Ų18876.7 Ų76.771%0.70939%0.387SS*.Hα-helixtrans-64.3-38.2178.4-73.1176.6-178.3174.82.4111.9I57 N58 F59I57-R61 WeakPolarHBondContact O-CG 3.42Å; I57-R61 PolarHBondContact O-N 3.23Å; I57-R61 VanDerWaalsContact O-N 3.16Å; N58-R61 PolarHBondContact O-N 3.37Å; F59-R61 VanDerWaalsContact C-N 3.27Å; F59-R61 PolarHBondContact O-N 3.22Å
62N92.3Very high95.1Very high98 Ų9876.2 Ų76.252%0.52439%0.388SS..Hα-helixtrans-87.6-16-178.2-61.6-24.4000113N58 F59 M60N58-N62 PolarHBondContact O-N 3.46Å; N58-N62 VanDerWaalsContact O-N 3.17Å; N58-N62 PolarHBondContact O-ND2 3.49Å; F59-N62 PolarHBondContact O-N 3.38Å; F59-N62 VanDerWaalsContact O-N 3.12Å; M60-N62 VanDerWaalsContact C-N 3.31Å; M60-N62 PolarHBondContact O-N 3.19Å
63H94Very high94.8Very high12 Ų1280 Ų806%0.05641%0.413CS..  trans-133.561.6-176.3-55.585.3000112.6F12 H14 Y25 F59 M60 T65F12-H63 HydrophobicContact CB-CB 4.11Å; F12-H63 HydrophobicContact CD1-CB 4.17Å; F12-H63 VanDerWaalsContact CD1-O 3.31Å; F12-H63 WeakPolarHBondContact CD1-O 3.36Å; F12-H63 HydrophobicContact CG-CB 4.31Å; H14-H63 AromaticContact CE1-NE2 3.37Å; H14-H63 PolarHBondContact CE1-NE2 3.39Å; H14-H63 AromaticContact CG-CD2 3.79Å; H14-H63 AromaticContact CG-NE2 3.46Å; H14-H63 AromaticContact ND1-CD2 3.34Å; H14-H63 PolarHBondContact ND1-CD2 2.86Å; H14-H63 VanDerWaalsContact ND1-CD2 3.34Å; H14-H63 AromaticContact ND1-CE1 3.82Å; H14-H63 AromaticContact ND1-NE2 2.84Å; H14-H63 PolarHBondContact ND1-NE2 3.39Å; Y25-H63 AromaticContact CD2-CD2 3.95Å; Y25-H63 AromaticContact CD2-NE2 3.46Å; Y25-H63 WeakPolarHBondContact CD2-NE2 3.47Å; Y25-H63 AromaticContact CE2-NE2 3.62Å; F59-H63 HydrophobicContact CD1-CB 4.03Å; F59-H63 AromaticContact CD1-ND1 3.91Å; F59-H63 AromaticContact CD2-ND1 3.81Å; F59-H63 HydrophobicContact CE1-CB 3.64Å; F59-H63 AromaticContact CE1-CG 3.77Å; F59-H63 AromaticContact CE1-ND1 3.89Å; F59-H63 AromaticContact CE2-CE1 3.86Å; F59-H63 AromaticContact CE2-ND1 3.79Å; F59-H63 AromaticContact CG-ND1 3.88Å; F59-H63 HydrophobicContact CZ-CB 4.13Å; F59-H63 AromaticContact CZ-CG 3.78Å; F59-H63 AromaticContact CZ-ND1 3.82Å; F59-H63 WeakPolarHBondContact O-CB 3.42Å; F59-H63 PolarHBondContact O-N 3.28Å; F59-H63 PolarHBondContact O-ND1 3.47Å; M60-H63 CarbonylContact O-C 3.55Å; M60-H63 PolarHBondContact O-N 3.08Å; H63-T65 VanDerWaalsContact C-N 3.29Å; H63-T65 PolarHBondContact O-N 3.46Å
64P93.2Very high94.3Very high89 Ų8983.4 Ų83.458%0.57842%0.424SS*.  trans-75-16.1-175.330-36.1000114.2
65T94.5Very high94Very high61 Ų6184.3 Ų84.337%0.37442%0.421SS..SBendtrans-109.4144-172.247.10000111.8A13 W22 H63A13-T65 PolarHBondContact N-O 3Å; W22-T65 WeakPolarHBondContact CZ3-OG1 3.49Å; H63-T65 VanDerWaalsContact C-N 3.29Å; H63-T65 PolarHBondContact O-N 3.46Å
66M96.3Very high93.6Very high37 Ų3781.8 Ų81.818%0.18241%0.407CS..BIsolated β-bridgetrans-85.2146.7170.1-53-48.2-63.100109.5V7 F8 G10 F12V7-M66 HydrophobicContact CG1-CB 3.73Å; V7-M66 HydrophobicContact CG1-CG 4.08Å; V7-M66 VanDerWaalsContact O-CE 3.25Å; V7-M66 WeakPolarHBondContact O-CE 3.32Å; F8-M66 HydrophobicContact CD1-CG 3.95Å; F8-M66 HydrophobicContact CD1-SD 4.28Å; F8-M66 HydrophobicContact CE1-CG 4.33Å; F8-M66 WeakPolarHBondContact O-CE 3.21Å; G10-M66 WeakPolarHBondContact O-CE 3.44Å; F12-M66 HydrophobicContact CD1-CE 4.12Å; F12-M66 HydrophobicContact CD1-SD 3.7Å; F12-M66 HydrophobicContact CE1-CE 4.13Å; F12-M66 HydrophobicContact CE1-SD 3.65Å; F12-M66 HydrophobicContact CG-CE 4.31Å; F12-M66 HydrophobicContact CG-SD 4.43Å; F12-M66 HydrophobicContact CZ-CE 4.32Å; F12-M66 HydrophobicContact CZ-SD 4.33Å
67Y95.8Very high93.4Very high119 Ų11985.4 Ų85.447%0.46743%0.43SS..SBendtrans-76.9-38.2-179.9179.3-101000112.8P11 A13 A24P11-Y67 HydrophobicContact CG-CD1 4.38Å; P11-Y67 PolarHBondContact O-N 3.18Å; A13-Y67 HydrophobicContact CB-CD2 4.46Å; A24-Y67 HydrophobicContact CB-CD1 3.71Å; A24-Y67 HydrophobicContact CB-CD2 4.03Å; A24-Y67 HydrophobicContact CB-CE1 3.95Å; A24-Y67 HydrophobicContact CB-CE2 4.26Å; A24-Y67 HydrophobicContact CB-CG 3.74Å; A24-Y67 VanDerWaalsContact N-CD2 3.32Å
68N96.2Very high93.1Very high75 Ų7586.7 Ų86.740%0.40144%0.437SS..SBendtrans-78.2137.2-180-68.5-18.9000111.2V7V7-N68 HydrophobicContact CG1-CB 4.45Å; V7-N68 WeakPolarHBondContact CG1-O 3.36Å; V7-N68 HydrophobicContact CG2-CB 4.21Å
69A95.9Very high93Very high57 Ų5783.8 Ų83.847%0.47142%0.422SS..PPolyproline II helixtrans-78.2148.3173.300000112Y71A69-Y71 HydrophobicContact CB-CE2 4.15Å
70I96.8Very high92.8Very high88 Ų8886.5 Ų86.545%0.45144%0.44SS..PPolyproline II helixtrans-86.3119168.9-60.7162000107.5I4 V7I4-I70 HydrophobicContact CB-CD1 4.38Å; I4-I70 HydrophobicContact CG1-CD1 4.12Å; I4-I70 HydrophobicContact CG1-CG2 3.88Å; I4-I70 HydrophobicContact CG2-CD1 4.14Å; V7-I70 HydrophobicContact CB-CG1 3.9Å; V7-I70 HydrophobicContact CG1-CG1 4Å; V7-I70 HydrophobicContact CG2-CG1 3.75Å
71Y95.1Very high92.7Very high140 Ų14086.6 Ų86.655%0.54944%0.437SS..PPolyproline II helixtrans-94.7148.8176.5-67-81.7000111.3A69 K75A69-Y71 HydrophobicContact CB-CE2 4.15Å; Y71-K75 HydrophobicContact CG-CG 4.44Å
72P92.9Very high92.7Very high72 Ų7282.6 Ų82.647%0.46843%0.434SS..PPolyproline II helixtrans-64.4161.2169.828.6-34.4000110.8H74 K75P72-H74 PolarHBondContact O-N 2.82Å; P72-K75 WeakPolarHBondContact O-CA 3.43Å; P72-K75 PolarHBondContact O-N 3.18Å
73V87.4Confident92.7Very high101 Ų10186.2 Ų86.261%0.61245%0.453SS*.G310 helixtrans-56.2136172.8-173.60000108.7K75V73-K75 PolarHBondContact O-N 3.04Å; V73-K75 VanDerWaalsContact O-N 3.16Å
74H85.8Confident92.8Very high126 Ų12688.4 Ų88.458%0.58347%0.467SS*.G310 helixtrans6211-172.3-50-61.9000115.9P72 R76P72-H74 PolarHBondContact O-N 2.82Å; H74-R76 HydrophobicContact CB-CG 4.03Å; H74-R76 PolarHBondContact O-N 3.48Å; H74-R76 VanDerWaalsContact O-N 3.16Å
75K89.6Confident92.9Very high160 Ų16089.3 Ų89.370%0.69647%0.467SS*.G310 helixtrans54.828179.9-59-171.4175.7-176.50114.3Y71 P72 V73Y71-K75 HydrophobicContact CG-CG 4.44Å; P72-K75 WeakPolarHBondContact O-CA 3.43Å; P72-K75 PolarHBondContact O-N 3.18Å; V73-K75 PolarHBondContact O-N 3.04Å; V73-K75 VanDerWaalsContact O-N 3.16Å
76R88.6Confident93Very high66 Ų6688.1 Ų88.125%0.24946%0.456CS..SBendtrans-141.5153.8178.462.6176.4178.2-118.93111.3H74 L126H74-R76 HydrophobicContact CB-CG 4.03Å; H74-R76 PolarHBondContact O-N 3.48Å; H74-R76 VanDerWaalsContact O-N 3.16Å; R76-L126 PolarHBondContact NH1-O 3.12Å; R76-L126 PolarHBondContact NH2-O 2.95Å
77P91.4Very high93Very high78 Ų7893.2 Ų93.251%0.50648%0.479SS..  trans-64.9154.1169.528.3-34.8000111.3V80P77-V80 HydrophobicContact CB-CG2 3.74Å; P77-V80 HydrophobicContact CG-CG2 3.28Å
78L90.9Very high93.1Very high81 Ų8191.3 Ų91.342%0.42447%0.473SS..SBendtrans-82.4-37.3176.1-71.6178.6000112.8V120 E130L78-V120 HydrophobicContact CB-CG2 4.3Å; L78-V120 HydrophobicContact CD2-CG1 4.48Å; L78-E130 WeakPolarHBondContact O-CG 3.02Å
79V92.6Very high93.2Very high28 Ų2890.7 Ų90.717%0.1747%0.472CS..  trans-135.6128.5-178.7178.50000108.6F88 L106 L108 V118 V120 E130V79-F88 HydrophobicContact CG1-CE2 4.34Å; V79-L106 HydrophobicContact CG2-CD2 4.19Å; V79-L108 HydrophobicContact CG1-CD1 4.16Å; V79-V118 HydrophobicContact CG2-CG1 3.98Å; V79-V120 HydrophobicContact CG2-CG2 3.9Å; V79-E130 VanDerWaalsContact CA-CD 3.48Å; V79-E130 WeakPolarHBondContact CA-OE1 3.29Å; V79-E130 HydrophobicContact CG2-CG 4.49Å
80V92.1Very high93.3Very high74 Ų7489.3 Ų89.345%0.44846%0.458SS..  trans-129.1128.7172.5-173.80000109.2P77 T82 E130P77-V80 HydrophobicContact CB-CG2 3.74Å; P77-V80 HydrophobicContact CG-CG2 3.28Å; V80-T82 HydrophobicContact CG1-CG2 4.09Å; V80-E130 PolarHBondContact N-OE1 2.93Å; V80-E130 PolarHBondContact N-OE2 3Å
81R92.3Very high93.3Very high69 Ų6990.1 Ų90.126%0.2646%0.462SS..  trans-117.6126.2171.2-65.6-70173.3-96.6-1.5108.2V84 Y86 F88 E130R81-V84 HydrophobicContact CB-CG1 4.26Å; R81-V84 HydrophobicContact CB-CG2 3.86Å; R81-Y86 HydrophobicContact CG-CE2 4.48Å; R81-F88 HydrophobicContact CB-CE2 4.23Å; R81-F88 HydrophobicContact CG-CE2 3.72Å; R81-F88 HydrophobicContact CG-CZ 3.72Å; R81-E130 IonicContact CZ-OE2 3.6Å; R81-E130 IonicContact NH1-OE2 2.69Å; R81-E130 PolarHBondContact NH1-OE2 2.7Å; R81-E130 IonicContact NH2-OE2 3.74Å
82T92.1Very high93.5Very high104 Ų10484 Ų8464%0.63844%0.441SS*.  trans-123.4151.917656.20000108.5V80 V84V80-T82 HydrophobicContact CG1-CG2 4.09Å; T82-V84 PolarHBondContact O-N 2.79Å
83N93.8Very high93.7Very high173 Ų17384.2 Ų84.293%0.92544%0.441SS*.SBendtrans55.837.2179.4-53.7-30.2000114
84V95.1Very high94.2Very high59 Ų5980.2 Ų80.236%0.35842%0.416SS..  trans-108.8155.6173.2-66.20000109.8R81 T82 Y86R81-V84 HydrophobicContact CB-CG1 4.26Å; R81-V84 HydrophobicContact CB-CG2 3.86Å; T82-V84 PolarHBondContact O-N 2.79Å; V84-Y86 VanDerWaalsContact C-N 3.29Å; V84-Y86 HydrophobicContact CB-CD1 3.92Å; V84-Y86 HydrophobicContact CB-CE1 3.6Å; V84-Y86 HydrophobicContact CB-CE2 4.3Å; V84-Y86 HydrophobicContact CB-CG 4.41Å; V84-Y86 HydrophobicContact CG1-CE1 3.89Å; V84-Y86 HydrophobicContact CG2-CD1 4.32Å; V84-Y86 HydrophobicContact CG2-CD2 4.13Å; V84-Y86 HydrophobicContact CG2-CE1 4.12Å; V84-Y86 HydrophobicContact CG2-CE2 3.89Å; V84-Y86 HydrophobicContact CG2-CG 4.33Å; V84-Y86 PolarHBondContact O-N 2.86Å
85D95.6Very high94.7Very high107 Ų10781 Ų8157%0.57242%0.42SS*.SBendtrans-94.825.9-177.472.4-41.3000113.1R112D85-R112 PolarHBondContact O-NE 3.38Å; D85-R112 IonicContact OD2-CZ 2.7Å; D85-R112 IonicContact OD2-NE 3.78Å; D85-R112 IonicContact OD2-NH2 3.14Å; D85-R112 PolarHBondContact OD2-NH2 3.36Å
86Y95.9Very high94.9Very high37 Ų3774 Ų7415%0.14539%0.39CS..  trans-143.8157.4-18061.6-101.6000111.5R81 V84 F88 T110 D111 Q116R81-Y86 HydrophobicContact CG-CE2 4.48Å; V84-Y86 VanDerWaalsContact C-N 3.29Å; V84-Y86 HydrophobicContact CB-CD1 3.92Å; V84-Y86 HydrophobicContact CB-CE1 3.6Å; V84-Y86 HydrophobicContact CB-CE2 4.3Å; V84-Y86 HydrophobicContact CB-CG 4.41Å; V84-Y86 HydrophobicContact CG1-CE1 3.89Å; V84-Y86 HydrophobicContact CG2-CD1 4.32Å; V84-Y86 HydrophobicContact CG2-CD2 4.13Å; V84-Y86 HydrophobicContact CG2-CE1 4.12Å; V84-Y86 HydrophobicContact CG2-CE2 3.89Å; V84-Y86 HydrophobicContact CG2-CG 4.33Å; V84-Y86 PolarHBondContact O-N 2.86Å; Y86-F88 HydrophobicContact CD2-CE1 4.43Å; Y86-F88 HydrophobicContact CE2-CD1 4.43Å; Y86-F88 AromaticContact CE2-CE1 3.83Å; Y86-F88 HydrophobicContact CE2-CE1 3.83Å; Y86-F88 AromaticContact CE2-CZ 3.96Å; Y86-F88 HydrophobicContact CE2-CZ 3.96Å; Y86-T110 HydrophobicContact CD2-CG2 3.73Å; Y86-T110 HydrophobicContact CE2-CG2 4.26Å; Y86-T110 HydrophobicContact CG-CG2 4.16Å; Y86-D111 VanDerWaalsContact CA-OD1 3.28Å; Y86-D111 WeakPolarHBondContact CA-OD1 3.48Å; Y86-D111 WeakPolarHBondContact CB-OD1 3.15Å; Y86-Q116 PolarHBondContact OH-NE2 3.3Å
87E96.9Very high95.1Very high144 Ų14480.2 Ų80.267%0.67341%0.414SS*.  trans-117.3142.5172.7-63.8-173.1170.200110.5T110 D111E87-T110 CarbonylContact O-C 3.4Å; E87-T110 VanDerWaalsContact O-CA 3.24Å; E87-T110 WeakPolarHBondContact O-CA 3.33Å; E87-D111 PolarHBondContact N-OD1 2.84Å; E87-D111 PolarHBondContact O-N 2.74Å
88F97.8Very high95.1Very high78 Ų7877 Ų7734%0.34239%0.393SS..EExtended strand (participates in β ladder)trans-76.1126.5173.3-68-51.4000110.7V79 R81 Y86 L108 G109 T110V79-F88 HydrophobicContact CG1-CE2 4.34Å; R81-F88 HydrophobicContact CB-CE2 4.23Å; R81-F88 HydrophobicContact CG-CE2 3.72Å; R81-F88 HydrophobicContact CG-CZ 3.72Å; Y86-F88 HydrophobicContact CD2-CE1 4.43Å; Y86-F88 HydrophobicContact CE2-CD1 4.43Å; Y86-F88 AromaticContact CE2-CE1 3.83Å; Y86-F88 HydrophobicContact CE2-CE1 3.83Å; Y86-F88 AromaticContact CE2-CZ 3.96Å; Y86-F88 HydrophobicContact CE2-CZ 3.96Å; F88-L108 HydrophobicContact CD1-CB 3.73Å; F88-L108 HydrophobicContact CD1-CD1 4.35Å; F88-L108 HydrophobicContact CE1-CB 3.64Å; F88-L108 HydrophobicContact CE1-CD1 3.79Å; F88-L108 HydrophobicContact CE1-CG 4.35Å; F88-L108 HydrophobicContact CE2-CD1 4.1Å; F88-L108 HydrophobicContact CZ-CB 4.37Å; F88-L108 HydrophobicContact CZ-CD1 3.64Å; F88-G109 CarbonylContact C-O 3.37Å; F88-G109 WeakPolarHBondContact CA-O 3.48Å; F88-T110 HydrophobicContact CD1-CG2 4.12Å; F88-T110 HydrophobicContact CE1-CG2 4.28Å
89T97.9Very high95.1Very high62 Ų6276 Ų7638%0.3840%0.397SS..EExtended strand (participates in β ladder)trans-103.4-35.6-177.960.60000112.8G109 D111 I145T89-G109 PolarHBondContact N-O 2.97Å; T89-G109 PolarHBondContact OG1-O 2.88Å; T89-D111 HydrophobicContact CG2-CB 3.96Å; T89-I145 WeakPolarHBondContact CB-O 3.37Å; T89-I145 PolarHBondContact OG1-O 2.82Å
90T98.1Very high94.9Very high28 Ų2878.1 Ų78.117%0.17241%0.408CS..EExtended strand (participates in β ladder)trans-146.8152.6-169.651.80000111.3G109 I145 T146 M148T90-G109 PolarHBondContact O-N 3.38Å; T90-I145 WeakPolarHBondContact OG1-CG2 3.27Å; T90-T146 WeakPolarHBondContact CG2-O 3.49Å; T90-M148 WeakPolarHBondContact O-CE 3.48Å; T90-M148 WeakPolarHBondContact OG1-CE 3.49Å
91I98.3Very high94.9Very high105 Ų10576.1 Ų76.154%0.53840%0.402SS..EExtended strand (participates in β ladder)trans-133.4138.4176.2-177166.8000110.4V93 L106 F107 L108I91-V93 HydrophobicContact CD1-CG2 3.99Å; I91-V93 HydrophobicContact CG1-CG2 3.93Å; I91-L106 HydrophobicContact CD1-CD2 4.12Å; I91-L106 HydrophobicContact CD1-CG 4.49Å; I91-F107 WeakPolarHBondContact CA-O 3.04Å; I91-L108 HydrophobicContact CB-CD2 4.15Å; I91-L108 HydrophobicContact CD1-CD2 3.76Å; I91-L108 HydrophobicContact CG1-CD2 3.78Å
92A98.2Very high94.9Very high13 Ų1376.1 Ų76.111%0.10741%0.412CS..EExtended strand (participates in β ladder)trans-134.2141.4164.300000108.9F107 M148 I150 L157A92-F107 PolarHBondContact N-O 2.91Å; A92-F107 PolarHBondContact O-N 2.99Å; A92-M148 HydrophobicContact CB-CB 4.24Å; A92-M148 HydrophobicContact CB-CE 4.39Å; A92-I150 HydrophobicContact CB-CD1 3.6Å; A92-I150 HydrophobicContact CB-CG1 3.79Å; A92-L157 HydrophobicContact CB-CD1 4.22Å
93V97.6Very high95.1Very high75 Ų7572.6 Ų72.646%0.45539%0.388SS..EExtended strand (participates in β ladder)trans-125.8131.3-175.3-173.20000109.2I91 E104 V105 L106I91-V93 HydrophobicContact CD1-CG2 3.99Å; I91-V93 HydrophobicContact CG1-CG2 3.93Å; V93-E104 HydrophobicContact CG1-CB 4.14Å; V93-V105 WeakPolarHBondContact CA-O 3.12Å; V93-L106 HydrophobicContact CG2-CG 4.33Å
94D97.1Very high95.2Very high18 Ų1870 Ų7010%0.09637%0.37CS..EExtended strand (participates in β ladder)trans-113.8144.7169.9-163.146.9000110.1V96 V105 F107 I150 S152 Y190D94-V96 HydrophobicContact CB-CG2 4.31Å; D94-V105 PolarHBondContact N-O 3.1Å; D94-V105 PolarHBondContact O-N 3.5Å; D94-F107 HydrophobicContact CB-CE2 4.41Å; D94-I150 HydrophobicContact CB-CD1 4.03Å; D94-I150 HydrophobicContact CB-CG2 4.42Å; D94-S152 PolarHBondContact OD1-OG 3.15Å; D94-Y190 VanDerWaalsContact CB-OH 3.28Å; D94-Y190 WeakPolarHBondContact CB-OH 3.28Å; D94-Y190 PolarHBondContact OD2-OH 2.9Å
95Q96Very high95.3Very high142 Ų14267.2 Ų67.266%0.66435%0.353SS*.EExtended strand (participates in β ladder)trans-101112.6174-168.3-18034.600109.6Y103Q95-Y103 CarbonylContact C-O 3.53Å; Q95-Y103 WeakPolarHBondContact CA-O 3.02Å
96V94.4Very high95.4Very high12 Ų1262.6 Ų62.67%0.07333%0.328CS..EExtended strand (participates in β ladder)trans-113.5130.6-168.8-171.70000110D94 S102 Y103 V105 P189 Y190D94-V96 HydrophobicContact CB-CG2 4.31Å; V96-S102 CarbonylContact O-C 3.57Å; V96-S102 VanDerWaalsContact O-CA 3.26Å; V96-S102 WeakPolarHBondContact O-CA 3.46Å; V96-Y103 PolarHBondContact N-O 2.91Å; V96-Y103 PolarHBondContact O-N 2.84Å; V96-V105 HydrophobicContact CB-CG2 4.28Å; V96-V105 HydrophobicContact CG2-CB 4.37Å; V96-V105 HydrophobicContact CG2-CG2 3.66Å; V96-P189 HydrophobicContact CB-CB 4.16Å; V96-P189 HydrophobicContact CG1-CB 3.95Å; V96-Y190 HydrophobicContact CG1-CD1 3.95Å; V96-Y190 HydrophobicContact CG1-CD2 4.28Å; V96-Y190 HydrophobicContact CG1-CE1 4.06Å; V96-Y190 HydrophobicContact CG1-CE2 4.42Å; V96-Y190 HydrophobicContact CG1-CG 4.1Å; V96-Y190 HydrophobicContact CG2-CD1 4.31Å; V96-Y190 HydrophobicContact CG2-CD2 4.13Å; V96-Y190 HydrophobicContact CG2-CE1 3.64Å; V96-Y190 HydrophobicContact CG2-CE2 3.48Å; V96-Y190 VanDerWaalsContact CG2-CE2 3.48Å; V96-Y190 WeakPolarHBondContact CG2-OH 3.27Å
97R92.3Very high95.5Very high198 Ų19861.2 Ų61.275%0.74732%0.323SS*.EExtended strand (participates in β ladder)trans-82.3130.1169.3-71.3-177.6173.2161.4-1.3109.7Y201R97-Y201 WeakPolarHBondContact O-CD1 3.15Å; R97-Y201 WeakPolarHBondContact O-CE1 3.29Å
98A92.8Very high95.6Very high9 Ų954.9 Ų54.97%0.07429%0.294CS..  trans-117.2-174.4172.400000110G101 Y103 P189 Y201 V214A98-G101 PolarHBondContact N-O 3.26Å; A98-Y103 HydrophobicContact CB-CD2 3.74Å; A98-Y103 HydrophobicContact CB-CE2 3.72Å; A98-P189 HydrophobicContact CB-CB 4.24Å; A98-Y201 VanDerWaalsContact C-OH 3.28Å; A98-Y201 PolarHBondContact O-OH 3.21Å; A98-Y201 VanDerWaalsContact O-OH 3.05Å; A98-V214 HydrophobicContact CB-CG2 3.99Å
99A89.3Confident95.6Very high61 Ų6151.1 Ų51.150%0.50428%0.277SS..SBendtrans-69.4-33179.200000113.3Y201 Q212A99-Y201 WeakPolarHBondContact CA-OH 2.94Å; A99-Y201 HydrophobicContact CB-CE2 4.05Å; A99-Y201 PolarHBondContact N-OH 2.71Å; A99-Q212 HydrophobicContact CB-CB 4.07Å
100D89.5Confident95.7Very high72 Ų7248.2 Ų48.239%0.38526%0.259SS..SBendtrans-104-6.1-174.254.9-18.2000114Y103 K215D100-Y103 VanDerWaalsContact OD1-CE2 3.31Å; D100-Y103 WeakPolarHBondContact OD1-CE2 3.29Å; D100-Y103 PolarHBondContact OD1-OH 3.5Å; D100-Y103 PolarHBondContact OD2-OH 3.44Å; D100-K215 PolarHBondContact OD2-N 2.6Å
101G91Very high95.6Very high32 Ų3249.3 Ų49.333%0.3326%0.264SS..  trans164.7-164.3178.700000113.9A98A98-G101 PolarHBondContact N-O 3.26Å
102S93.9Very high95.6Very high69 Ų6950.4 Ų50.448%0.48326%0.262SS..EExtended strand (participates in β ladder)trans-107.5140.2169.4-580000109.4V96V96-S102 CarbonylContact O-C 3.57Å; V96-S102 VanDerWaalsContact O-CA 3.26Å; V96-S102 WeakPolarHBondContact O-CA 3.46Å
103Y95.6Very high95.5Very high30 Ų3049.9 Ų49.912%0.11826%0.257CS..EExtended strand (participates in β ladder)trans-123.7141.3-176.6-68.2-86.9000110.3Q95 V96 A98 D100 L121 P189 V214Q95-Y103 CarbonylContact C-O 3.53Å; Q95-Y103 WeakPolarHBondContact CA-O 3.02Å; V96-Y103 PolarHBondContact N-O 2.91Å; V96-Y103 PolarHBondContact O-N 2.84Å; A98-Y103 HydrophobicContact CB-CD2 3.74Å; A98-Y103 HydrophobicContact CB-CE2 3.72Å; D100-Y103 VanDerWaalsContact OD1-CE2 3.31Å; D100-Y103 WeakPolarHBondContact OD1-CE2 3.29Å; D100-Y103 PolarHBondContact OD1-OH 3.5Å; D100-Y103 PolarHBondContact OD2-OH 3.44Å; Y103-L121 HydrophobicContact CD1-CD2 3.82Å; Y103-L121 HydrophobicContact CE1-CD2 3.37Å; Y103-P189 HydrophobicContact CD2-CB 4.16Å; Y103-P189 HydrophobicContact CD2-CG 4.17Å; Y103-P189 HydrophobicContact CG-CB 4.35Å; Y103-P189 HydrophobicContact CG-CG 3.94Å; Y103-V214 HydrophobicContact CD1-CG1 3.87Å; Y103-V214 HydrophobicContact CD2-CG1 4.16Å; Y103-V214 HydrophobicContact CE1-CB 4.28Å; Y103-V214 HydrophobicContact CE1-CG1 3.54Å; Y103-V214 HydrophobicContact CE2-CB 3.91Å; Y103-V214 HydrophobicContact CE2-CG1 3.86Å; Y103-V214 HydrophobicContact CE2-CG2 4.19Å; Y103-V214 HydrophobicContact CG-CG1 4.17Å
104E95.8Very high95.5Very high119 Ų11946.9 Ų46.956%0.55624%0.239SC*.EExtended strand (participates in β ladder)trans-87.9115.2166.4-64.9178.916100107.6V93V93-E104 HydrophobicContact CG1-CB 4.14Å
105V97.4Very high95.6Very high0 Ų046.1 Ų46.10%024%0.236CC..EExtended strand (participates in β ladder)trans-102.6116.8177.5-173.90000108.4V93 D94 V96 F107 K117 I119 P189 Y190V93-V105 WeakPolarHBondContact CA-O 3.12Å; D94-V105 PolarHBondContact N-O 3.1Å; D94-V105 PolarHBondContact O-N 3.5Å; V96-V105 HydrophobicContact CB-CG2 4.28Å; V96-V105 HydrophobicContact CG2-CB 4.37Å; V96-V105 HydrophobicContact CG2-CG2 3.66Å; V105-F107 HydrophobicContact CB-CE2 4.42Å; V105-F107 HydrophobicContact CG1-CE2 4.01Å; V105-F107 HydrophobicContact CG1-CZ 4.17Å; V105-K117 HydrophobicContact CG1-CD 4.36Å; V105-K117 HydrophobicContact CG1-CG 3.7Å; V105-I119 HydrophobicContact CB-CG2 4.29Å; V105-I119 HydrophobicContact CG1-CG2 4.2Å; V105-I119 HydrophobicContact CG2-CG2 3.83Å; V105-P189 HydrophobicContact CG2-CB 4.46Å; V105-P189 HydrophobicContact CG2-CG 4.01Å; V105-Y190 HydrophobicContact CB-CE2 4.15Å; V105-Y190 HydrophobicContact CG1-CE2 4.12Å; V105-Y190 HydrophobicContact CG2-CD2 4.49Å; V105-Y190 HydrophobicContact CG2-CE2 3.89Å
106L98.1Very high95.6Very high10 Ų1039.4 Ų39.45%0.05220%0.204CC..EExtended strand (participates in β ladder)trans-90.6126179.9-65.874.7000108.6V79 I91 V93 L108 K117 V118V79-L106 HydrophobicContact CG2-CD2 4.19Å; I91-L106 HydrophobicContact CD1-CD2 4.12Å; I91-L106 HydrophobicContact CD1-CG 4.49Å; V93-L106 HydrophobicContact CG2-CG 4.33Å; L106-L108 HydrophobicContact CB-CD2 4.17Å; L106-L108 HydrophobicContact CB-CG 4.35Å; L106-L108 HydrophobicContact CD2-CD2 4.44Å; L106-K117 CarbonylContact O-C 3.57Å; L106-K117 WeakPolarHBondContact O-CA 3.4Å; L106-V118 HydrophobicContact CB-CB 4.4Å; L106-V118 PolarHBondContact N-O 3.34Å; L106-V118 PolarHBondContact O-N 2.82Å
107F98.4Very high95.8Very high9 Ų939 Ų394%0.03920%0.201CC..EExtended strand (participates in β ladder)trans-102.3117.2165.2-62.5-91.9000107I91 A92 D94 V105 V115 Q116 K117 M148 I150 L157 L170 Y190I91-F107 WeakPolarHBondContact CA-O 3.04Å; A92-F107 PolarHBondContact N-O 2.91Å; A92-F107 PolarHBondContact O-N 2.99Å; D94-F107 HydrophobicContact CB-CE2 4.41Å; V105-F107 HydrophobicContact CB-CE2 4.42Å; V105-F107 HydrophobicContact CG1-CE2 4.01Å; V105-F107 HydrophobicContact CG1-CZ 4.17Å; F107-V115 HydrophobicContact CB-CG1 4.22Å; F107-V115 HydrophobicContact CD1-CG1 4.2Å; F107-Q116 CarbonylContact C-O 3.49Å; F107-Q116 WeakPolarHBondContact CA-O 3.44Å; F107-K117 HydrophobicContact CD1-CB 4.43Å; F107-K117 HydrophobicContact CD1-CG 4.34Å; F107-K117 HydrophobicContact CE1-CB 4.36Å; F107-K117 HydrophobicContact CE1-CD 4.03Å; F107-K117 HydrophobicContact CE1-CG 3.91Å; F107-K117 HydrophobicContact CZ-CD 4.38Å; F107-K117 HydrophobicContact CZ-CG 4.32Å; F107-M148 HydrophobicContact CB-CE 4.42Å; F107-M148 WeakPolarHBondContact O-CE 3.45Å; F107-I150 HydrophobicContact CD2-CD1 3.62Å; F107-I150 HydrophobicContact CD2-CG1 4.49Å; F107-I150 HydrophobicContact CE2-CD1 3.94Å; F107-L157 HydrophobicContact CB-CD1 4.46Å; F107-L157 HydrophobicContact CB-CD2 4.05Å; F107-L157 HydrophobicContact CD1-CD2 3.76Å; F107-L157 HydrophobicContact CE1-CD2 4.5Å; F107-L157 HydrophobicContact CG-CD2 4.05Å; F107-L170 HydrophobicContact CE1-CD2 4.11Å; F107-L170 HydrophobicContact CE2-CD2 3.84Å; F107-L170 HydrophobicContact CZ-CB 4.35Å; F107-L170 HydrophobicContact CZ-CD2 3.5Å; F107-L170 HydrophobicContact CZ-CG 4.49Å; F107-Y190 HydrophobicContact CZ-CE2 4.33Å
108L98.4Very high96Very high10 Ų1029.6 Ų29.65%0.05217%0.166CC..EExtended strand (participates in β ladder)trans-114.2116.4-175.7-53.8178.3000108.8V79 F88 I91 L106 V115 Q116 V118V79-L108 HydrophobicContact CG1-CD1 4.16Å; F88-L108 HydrophobicContact CD1-CB 3.73Å; F88-L108 HydrophobicContact CD1-CD1 4.35Å; F88-L108 HydrophobicContact CE1-CB 3.64Å; F88-L108 HydrophobicContact CE1-CD1 3.79Å; F88-L108 HydrophobicContact CE1-CG 4.35Å; F88-L108 HydrophobicContact CE2-CD1 4.1Å; F88-L108 HydrophobicContact CZ-CB 4.37Å; F88-L108 HydrophobicContact CZ-CD1 3.64Å; I91-L108 HydrophobicContact CB-CD2 4.15Å; I91-L108 HydrophobicContact CD1-CD2 3.76Å; I91-L108 HydrophobicContact CG1-CD2 3.78Å; L106-L108 HydrophobicContact CB-CD2 4.17Å; L106-L108 HydrophobicContact CB-CG 4.35Å; L106-L108 HydrophobicContact CD2-CD2 4.44Å; L108-V115 CarbonylContact O-C 3.52Å; L108-V115 WeakPolarHBondContact O-CA 3.43Å; L108-Q116 HydrophobicContact CB-CB 4.41Å; L108-Q116 PolarHBondContact N-O 2.85Å; L108-Q116 PolarHBondContact O-N 2.83Å; L108-V118 HydrophobicContact CD1-CB 4.47Å; L108-V118 HydrophobicContact CD1-CG2 3.95Å
109G98.4Very high96.2Very high0 Ų029.1 Ų29.10%016%0.162CC..EExtended strand (participates in β ladder)trans-88.1147176.300000111.2F88 T89 T90 T114F88-G109 CarbonylContact C-O 3.37Å; F88-G109 WeakPolarHBondContact CA-O 3.48Å; T89-G109 PolarHBondContact N-O 2.97Å; T89-G109 PolarHBondContact OG1-O 2.88Å; T90-G109 PolarHBondContact O-N 3.38Å; G109-T114 CarbonylContact C-O 3.53Å; G109-T114 WeakPolarHBondContact CA-O 3.16Å
110T98.4Very high96.4Very high0 Ų027.7 Ų27.70%015%0.147CC..EExtended strand (participates in β ladder)trans-114.4162.1-179.569.20000113Y86 E87 F88 R112 G113 T114 I145Y86-T110 HydrophobicContact CD2-CG2 3.73Å; Y86-T110 HydrophobicContact CE2-CG2 4.26Å; Y86-T110 HydrophobicContact CG-CG2 4.16Å; E87-T110 CarbonylContact O-C 3.4Å; E87-T110 VanDerWaalsContact O-CA 3.24Å; E87-T110 WeakPolarHBondContact O-CA 3.33Å; F88-T110 HydrophobicContact CD1-CG2 4.12Å; F88-T110 HydrophobicContact CE1-CG2 4.28Å; T110-R112 PolarHBondContact O-N 3.08Å; T110-R112 PolarHBondContact OG1-N 2.88Å; T110-G113 PolarHBondContact O-N 2.82Å; T110-G113 PolarHBondContact OG1-N 2.96Å; T110-T114 WeakPolarHBondContact CG2-OG1 3.48Å; T110-T114 PolarHBondContact N-O 3.4Å; T110-T114 PolarHBondContact OG1-N 3.14Å; T110-T114 PolarHBondContact OG1-O 3.35Å; T110-T114 PolarHBondContact OG1-OG1 3.46Å; T110-I145 PolarHBondContact O-N 2.83Å
111D97.5Very high96.4Very high52 Ų5224.4 Ų24.428%0.27813%0.129SC..THydrogen-bonded Turntrans-68.8-17.1169.768-26.3000113.1Y86 E87 T89 P144Y86-D111 VanDerWaalsContact CA-OD1 3.28Å; Y86-D111 WeakPolarHBondContact CA-OD1 3.48Å; Y86-D111 WeakPolarHBondContact CB-OD1 3.15Å; E87-D111 PolarHBondContact N-OD1 2.84Å; E87-D111 PolarHBondContact O-N 2.74Å; T89-D111 HydrophobicContact CG2-CB 3.96Å; D111-P144 VanDerWaalsContact O-CA 3.29Å; D111-P144 WeakPolarHBondContact O-CA 3.02Å; D111-P144 WeakPolarHBondContact O-CD 3.34Å; D111-P144 VanDerWaalsContact O-CG 3.27Å; D111-P144 WeakPolarHBondContact O-CG 3.34Å
112R96.8Very high96.2Very high127 Ų12727.2 Ų27.248%0.47914%0.142SC..THydrogen-bonded Turntrans-83.3-6.4172.5-59.6-62.7-132.5155.713.4114.1D85 T110 P142D85-R112 PolarHBondContact O-NE 3.38Å; D85-R112 IonicContact OD2-CZ 2.7Å; D85-R112 IonicContact OD2-NE 3.78Å; D85-R112 IonicContact OD2-NH2 3.14Å; D85-R112 PolarHBondContact OD2-NH2 3.36Å; T110-R112 PolarHBondContact O-N 3.08Å; T110-R112 PolarHBondContact OG1-N 2.88Å; R112-P142 WeakPolarHBondContact O-CA 3.33Å; R112-P142 WeakPolarHBondContact O-CB 3.37Å
113G97Very high95.6Very high2 Ų230.8 Ų30.82%0.02115%0.145CC..SBendtrans87.319.2-179.400000115.1T110 V138 T143T110-G113 PolarHBondContact O-N 2.82Å; T110-G113 PolarHBondContact OG1-N 2.96Å; G113-V138 PolarHBondContact O-N 2.89Å; G113-V138 VanDerWaalsContact O-N 3.11Å; G113-T143 WeakPolarHBondContact CA-O 3.43Å; G113-T143 PolarHBondContact N-O 3.44Å
114T97.8Very high94.4Very high12 Ų1235.8 Ų35.87%0.07417%0.174CC..EExtended strand (participates in β ladder)trans-101.5149.217464.90000111.9G109 T110 E135 V136 E137 I145G109-T114 CarbonylContact C-O 3.53Å; G109-T114 WeakPolarHBondContact CA-O 3.16Å; T110-T114 WeakPolarHBondContact CG2-OG1 3.48Å; T110-T114 PolarHBondContact N-O 3.4Å; T110-T114 PolarHBondContact OG1-N 3.14Å; T110-T114 PolarHBondContact OG1-O 3.35Å; T110-T114 PolarHBondContact OG1-OG1 3.46Å; T114-E135 WeakPolarHBondContact CB-OE1 3.17Å; T114-E135 HydrophobicContact CG2-CG 4.38Å; T114-E135 PolarHBondContact OG1-OE1 2.8Å; T114-V136 CarbonylContact C-O 3.59Å; T114-V136 WeakPolarHBondContact CA-O 3.47Å; T114-E137 HydrophobicContact CG2-CG 3.8Å; T114-I145 WeakPolarHBondContact O-CD1 3.49Å
115V98.3Very high93.3Very high3 Ų337 Ų372%0.01818%0.184CC..EExtended strand (participates in β ladder)trans-111.8122.9166.3174.30000108.8F107 L108 E135 V136 V138 I145 M148 L157 V159 L168F107-V115 HydrophobicContact CB-CG1 4.22Å; F107-V115 HydrophobicContact CD1-CG1 4.2Å; L108-V115 CarbonylContact O-C 3.52Å; L108-V115 WeakPolarHBondContact O-CA 3.43Å; V115-E135 WeakPolarHBondContact O-CA 3.32Å; V115-V136 PolarHBondContact N-O 3.48Å; V115-V136 PolarHBondContact O-N 3.17Å; V115-V138 HydrophobicContact CB-CG2 4.07Å; V115-V138 HydrophobicContact CG2-CG2 3.54Å; V115-I145 HydrophobicContact CG2-CD1 3.33Å; V115-M148 HydrophobicContact CG1-SD 4.4Å; V115-M148 HydrophobicContact CG2-SD 3.86Å; V115-L157 HydrophobicContact CG1-CD2 3.86Å; V115-L157 HydrophobicContact CG2-CD2 4.48Å; V115-V159 HydrophobicContact CG2-CG1 4.4Å; V115-V159 HydrophobicContact CG2-CG2 4.18Å; V115-L168 HydrophobicContact CB-CD1 4.47Å
116Q97.4Very high92Very high1 Ų143.3 Ų43.31%0.00522%0.217CC..EExtended strand (participates in β ladder)trans-96.9130.8171.8-65.3178.88.800110.4Y86 F107 L108 V118 E134 E135Y86-Q116 PolarHBondContact OH-NE2 3.3Å; F107-Q116 CarbonylContact C-O 3.49Å; F107-Q116 WeakPolarHBondContact CA-O 3.44Å; L108-Q116 HydrophobicContact CB-CB 4.41Å; L108-Q116 PolarHBondContact N-O 2.85Å; L108-Q116 PolarHBondContact O-N 2.83Å; Q116-V118 HydrophobicContact CB-CG2 4.11Å; Q116-E134 CarbonylContact C-O 3.56Å; Q116-E134 WeakPolarHBondContact CA-O 3.47Å; Q116-E135 HydrophobicContact CG-CB 4.22Å; Q116-E135 HydrophobicContact CG-CG 3.9Å; Q116-E135 PolarHBondContact NE2-OE1 2.91Å; Q116-E135 VanDerWaalsContact NE2-OE1 3.16Å; Q116-E135 PolarHBondContact NE2-OE2 3.45Å
117K97.3Very high91Very high3 Ų348.4 Ų48.41%0.01324%0.24CC..EExtended strand (participates in β ladder)trans-99.1115.4172.7-173.2-179.3175.8178.40108.6V105 L106 F107 L133 E134 L170 D188 Y190V105-K117 HydrophobicContact CG1-CD 4.36Å; V105-K117 HydrophobicContact CG1-CG 3.7Å; L106-K117 CarbonylContact O-C 3.57Å; L106-K117 WeakPolarHBondContact O-CA 3.4Å; F107-K117 HydrophobicContact CD1-CB 4.43Å; F107-K117 HydrophobicContact CD1-CG 4.34Å; F107-K117 HydrophobicContact CE1-CB 4.36Å; F107-K117 HydrophobicContact CE1-CD 4.03Å; F107-K117 HydrophobicContact CE1-CG 3.91Å; F107-K117 HydrophobicContact CZ-CD 4.38Å; F107-K117 HydrophobicContact CZ-CG 4.32Å; K117-L133 HydrophobicContact CB-CB 4.46Å; K117-L133 HydrophobicContact CD-CB 4.39Å; K117-L133 HydrophobicContact CD-CD1 4.3Å; K117-L133 HydrophobicContact CG-CB 4.31Å; K117-L133 HydrophobicContact CG-CD1 4.2Å; K117-L133 WeakPolarHBondContact O-CB 3.38Å; K117-L133 PolarHBondContact O-N 3.47Å; K117-E134 HydrophobicContact CB-CB 3.97Å; K117-E134 HydrophobicContact CD-CB 4.47Å; K117-E134 PolarHBondContact N-O 3.31Å; K117-E134 PolarHBondContact O-N 3.49Å; K117-L170 PolarHBondContact NZ-O 2.82Å; K117-D188 WeakPolarHBondContact CE-OD1 3.29Å; K117-D188 IonicContact NZ-OD1 3.69Å; K117-D188 PolarHBondContact NZ-OD1 3.48Å; K117-D188 IonicContact NZ-OD2 2.93Å; K117-D188 PolarHBondContact NZ-OD2 3.22Å; K117-Y190 VanDerWaalsContact NZ-CD2 3.27Å
118V97.1Very high90.4Very high0 Ų049.7 Ų49.70%025%0.249CC..EExtended strand (participates in β ladder)trans-128.4140.7-170.2-1740000110.4V79 L106 L108 Q116 L131 V132V79-V118 HydrophobicContact CG2-CG1 3.98Å; L106-V118 HydrophobicContact CB-CB 4.4Å; L106-V118 PolarHBondContact N-O 3.34Å; L106-V118 PolarHBondContact O-N 2.82Å; L108-V118 HydrophobicContact CD1-CB 4.47Å; L108-V118 HydrophobicContact CD1-CG2 3.95Å; Q116-V118 HydrophobicContact CB-CG2 4.11Å; V118-L131 VanDerWaalsContact CA-O 3.32Å; V118-L131 WeakPolarHBondContact CA-O 2.95Å; V118-L131 WeakPolarHBondContact CG1-O 3.5Å; V118-V132 HydrophobicContact CG2-CG2 4.17Å
119I96.2Very high89.9Confident0 Ų050.9 Ų50.90%025%0.254CS..EExtended strand (participates in β ladder)trans-121.3151165.661.7174.8000109.9V105 L121 L131 L133 P189 V214V105-I119 HydrophobicContact CB-CG2 4.29Å; V105-I119 HydrophobicContact CG1-CG2 4.2Å; V105-I119 HydrophobicContact CG2-CG2 3.83Å; I119-L121 HydrophobicContact CD1-CD1 4.16Å; I119-L121 HydrophobicContact CD1-CD2 4.14Å; I119-L121 HydrophobicContact CD1-CG 4.19Å; I119-L121 HydrophobicContact CG1-CG 4.4Å; I119-L131 HydrophobicContact CD1-CD2 4.03Å; I119-L131 HydrophobicContact CG1-CB 3.93Å; I119-L131 HydrophobicContact CG1-CD2 4.13Å; I119-L131 HydrophobicContact CG1-CG 4.5Å; I119-L131 PolarHBondContact N-O 3.44Å; I119-L131 PolarHBondContact O-N 3.24Å; I119-L133 HydrophobicContact CD1-CD1 4.37Å; I119-L133 HydrophobicContact CD1-CD2 4.07Å; I119-L133 HydrophobicContact CG1-CD1 4.3Å; I119-L133 HydrophobicContact CG1-CD2 4.2Å; I119-L133 HydrophobicContact CG1-CG 4.27Å; I119-L133 HydrophobicContact CG2-CD1 3.76Å; I119-P189 HydrophobicContact CD1-CG 4.5Å; I119-P189 HydrophobicContact CG2-CG 4.17Å; I119-V214 HydrophobicContact CD1-CG1 3.71Å
120V94.1Very high89.6Confident31 Ų3153.6 Ų53.619%0.18827%0.267CS..EExtended strand (participates in β ladder)trans-116.8118.9176.7-175.50000108.3L78 V79 T128 E129L78-V120 HydrophobicContact CB-CG2 4.3Å; L78-V120 HydrophobicContact CD2-CG1 4.48Å; V79-V120 HydrophobicContact CG2-CG2 3.9Å; V120-T128 HydrophobicContact CG1-CG2 3.78Å; V120-E129 WeakPolarHBondContact CA-O 3.47Å
121L90.6Very high89.3Confident2 Ų254.6 Ų54.61%0.0127%0.272CS..EExtended strand (participates in β ladder)trans-108.4134.6-176.1-62173.9000110Y103 I119 R123 T128 E129 V214Y103-L121 HydrophobicContact CD1-CD2 3.82Å; Y103-L121 HydrophobicContact CE1-CD2 3.37Å; I119-L121 HydrophobicContact CD1-CD1 4.16Å; I119-L121 HydrophobicContact CD1-CD2 4.14Å; I119-L121 HydrophobicContact CD1-CG 4.19Å; I119-L121 HydrophobicContact CG1-CG 4.4Å; L121-R123 PolarHBondContact O-N 3.17Å; L121-T128 CarbonylContact O-C 3.24Å; L121-T128 WeakPolarHBondContact O-CA 2.97Å; L121-E129 HydrophobicContact CB-CB 4.34Å; L121-E129 PolarHBondContact N-O 3.47Å; L121-E129 PolarHBondContact O-N 2.8Å; L121-V214 HydrophobicContact CD2-CG1 4.35Å
122P85.4Confident89.1Confident92 Ų9254 Ų5460%0.59727%0.27SS*.EExtended strand (participates in β ladder)trans-68.3134.9172.828.2-32.3000110
123R81.4Confident88.9Confident143 Ų14348.9 Ų48.954%0.5425%0.252SS..PPolyproline II helixtrans-99.3158.8165.5-76.4-168.2173.7-131.92.2110.4L121 D125 Q127 E129L121-R123 PolarHBondContact O-N 3.17Å; R123-D125 PolarHBondContact O-N 3.41Å; R123-Q127 HydrophobicContact CB-CB 4.12Å; R123-Q127 PolarHBondContact N-O 3.18Å; R123-E129 HydrophobicContact CG-CB 4.09Å; R123-E129 IonicContact NH2-OE1 3.89Å
124D71.1Confident88.7Confident135 Ų13549.9 Ų49.972%0.72226%0.257SS*.THydrogen-bonded Turntrans-57.1135.7164.1-51.1-39.4000106.7
125D72.3Confident88.6Confident144 Ų14453.9 Ų53.977%0.7728%0.275SS*.THydrogen-bonded Turntrans89.926.3-174.6-44.4-30.2000117.7R123 Q127R123-D125 PolarHBondContact O-N 3.41Å; D125-Q127 PolarHBondContact O-N 3.44Å
126L70.1Confident88.4Confident133 Ų13354.5 Ų54.570%0.69628%0.278SS*.SBendtrans5812.4-179-62162.9000112.9R76R76-L126 PolarHBondContact NH1-O 3.12Å; R76-L126 PolarHBondContact NH2-O 2.95Å
127Q77.4Confident88.3Confident117 Ų11761.6 Ų61.655%0.54731%0.311SS..  trans-82.9159.8174.3-68.2-64.5-24.600110R123 D125R123-Q127 HydrophobicContact CB-CB 4.12Å; R123-Q127 PolarHBondContact N-O 3.18Å; D125-Q127 PolarHBondContact O-N 3.44Å
128T85.3Confident88.2Confident36 Ų3662.3 Ų62.322%0.22132%0.316CS..EExtended strand (participates in β ladder)trans-118.7131.8175.341.50000110V120 L121V120-T128 HydrophobicContact CG1-CG2 3.78Å; L121-T128 CarbonylContact O-C 3.24Å; L121-T128 WeakPolarHBondContact O-CA 2.97Å
129E88.8Confident88.1Confident35 Ų3563.9 Ų63.916%0.16432%0.323CS..EExtended strand (participates in β ladder)trans-90.7112.7167.8-173.5-170.2-173.100108V120 L121 R123 R187 K308V120-E129 WeakPolarHBondContact CA-O 3.47Å; L121-E129 HydrophobicContact CB-CB 4.34Å; L121-E129 PolarHBondContact N-O 3.47Å; L121-E129 PolarHBondContact O-N 2.8Å; R123-E129 HydrophobicContact CG-CB 4.09Å; R123-E129 IonicContact NH2-OE1 3.89Å; E129-R187 IonicContact OE1-CZ 3.86Å; E129-R187 IonicContact OE1-NH1 2.8Å; E129-R187 PolarHBondContact OE1-NH1 3.22Å; E129-R187 IonicContact OE1-NH2 2.89Å; E129-R187 IonicContact OE2-CZ 2.61Å; E129-R187 IonicContact OE2-NH1 3.92Å; E129-R187 IonicContact OE2-NH2 2.62Å; E129-R187 PolarHBondContact OE2-NH2 3.32Å; E129-K308 IonicContact OE1-NZ 3.04Å; E129-K308 PolarHBondContact OE1-NZ 2.97Å
130E91Very high87.9Confident58 Ų5874.1 Ų74.127%0.27137%0.367SS..EExtended strand (participates in β ladder)trans-82.6127168.9-57.3174.3-16000108.9L78 V79 V80 R81L78-E130 WeakPolarHBondContact O-CG 3.02Å; V79-E130 VanDerWaalsContact CA-CD 3.48Å; V79-E130 WeakPolarHBondContact CA-OE1 3.29Å; V79-E130 HydrophobicContact CG2-CG 4.49Å; V80-E130 PolarHBondContact N-OE1 2.93Å; V80-E130 PolarHBondContact N-OE2 3Å; R81-E130 IonicContact CZ-OE2 3.6Å; R81-E130 IonicContact NH1-OE2 2.69Å; R81-E130 PolarHBondContact NH1-OE2 2.7Å; R81-E130 IonicContact NH2-OE2 3.74Å
131L91.8Very high87.9Confident20 Ų2076.9 Ų76.911%0.10538%0.384CS..EExtended strand (participates in β ladder)trans-124.9116.3179.4-176.770.7000110.1V118 I119 L133 R187V118-L131 VanDerWaalsContact CA-O 3.32Å; V118-L131 WeakPolarHBondContact CA-O 2.95Å; V118-L131 WeakPolarHBondContact CG1-O 3.5Å; I119-L131 HydrophobicContact CD1-CD2 4.03Å; I119-L131 HydrophobicContact CG1-CB 3.93Å; I119-L131 HydrophobicContact CG1-CD2 4.13Å; I119-L131 HydrophobicContact CG1-CG 4.5Å; I119-L131 PolarHBondContact N-O 3.44Å; I119-L131 PolarHBondContact O-N 3.24Å; L131-L133 HydrophobicContact CD2-CD2 3.56Å; L131-L133 HydrophobicContact CG-CD2 4.03Å; L131-L133 PolarHBondContact O-N 2.83Å; L131-R187 HydrophobicContact CD2-CB 3.77Å; L131-R187 HydrophobicContact CD2-CG 4.4Å
132V93.5Very high88.1Confident39 Ų3981 Ų8124%0.23641%0.411CS..EExtended strand (participates in β ladder)trans-80.3113.4167.8-173.20000107.7V118V118-V132 HydrophobicContact CG2-CG2 4.17Å
133L93.6Very high88.6Confident20 Ų2077.3 Ų77.311%0.10539%0.387CS..EExtended strand (participates in β ladder)trans-81.6-34.4178.8-61.3177.4000111.5K117 I119 L131 A186 R187 D188K117-L133 HydrophobicContact CB-CB 4.46Å; K117-L133 HydrophobicContact CD-CB 4.39Å; K117-L133 HydrophobicContact CD-CD1 4.3Å; K117-L133 HydrophobicContact CG-CB 4.31Å; K117-L133 HydrophobicContact CG-CD1 4.2Å; K117-L133 WeakPolarHBondContact O-CB 3.38Å; K117-L133 PolarHBondContact O-N 3.47Å; I119-L133 HydrophobicContact CD1-CD1 4.37Å; I119-L133 HydrophobicContact CD1-CD2 4.07Å; I119-L133 HydrophobicContact CG1-CD1 4.3Å; I119-L133 HydrophobicContact CG1-CD2 4.2Å; I119-L133 HydrophobicContact CG1-CG 4.27Å; I119-L133 HydrophobicContact CG2-CD1 3.76Å; L131-L133 HydrophobicContact CD2-CD2 3.56Å; L131-L133 HydrophobicContact CG-CD2 4.03Å; L131-L133 PolarHBondContact O-N 2.83Å; L133-A186 VanDerWaalsContact CD2-O 3.29Å; L133-A186 WeakPolarHBondContact CD2-O 3.48Å; L133-R187 HydrophobicContact CD2-CB 4.33Å; L133-D188 HydrophobicContact CD1-CB 4.31Å
134E92.6Very high89.4Confident24 Ų2473.6 Ų73.611%0.11238%0.381CS..EExtended strand (participates in β ladder)trans-163.7145.2-169.7-164.5171.6-144.600110.3Q116 K117 V136 R172Q116-E134 CarbonylContact C-O 3.56Å; Q116-E134 WeakPolarHBondContact CA-O 3.47Å; K117-E134 HydrophobicContact CB-CB 3.97Å; K117-E134 HydrophobicContact CD-CB 4.47Å; K117-E134 PolarHBondContact N-O 3.31Å; K117-E134 PolarHBondContact O-N 3.49Å; E134-V136 HydrophobicContact CG-CG2 3.95Å; E134-R172 IonicContact OE1-CZ 3.96Å; E134-R172 IonicContact OE1-NE 2.96Å; E134-R172 PolarHBondContact OE1-NE 2.9Å; E134-R172 IonicContact OE1-NH2 2.82Å; E134-R172 PolarHBondContact OE1-NH2 3.36Å; E134-R172 IonicContact OE2-NE 3.41Å; E134-R172 IonicContact OE2-NH2 2.72Å
135E94.4Very high90.7Very high96 Ų9667.2 Ų67.245%0.44935%0.347SS..EExtended strand (participates in β ladder)trans-129.7133.8167.7-179.4159.9-161.100109T114 V115 Q116T114-E135 WeakPolarHBondContact CB-OE1 3.17Å; T114-E135 HydrophobicContact CG2-CG 4.38Å; T114-E135 PolarHBondContact OG1-OE1 2.8Å; V115-E135 WeakPolarHBondContact O-CA 3.32Å; Q116-E135 HydrophobicContact CG-CB 4.22Å; Q116-E135 HydrophobicContact CG-CG 3.9Å; Q116-E135 PolarHBondContact NE2-OE1 2.91Å; Q116-E135 VanDerWaalsContact NE2-OE1 3.16Å; Q116-E135 PolarHBondContact NE2-OE2 3.45Å
136V95.2Very high91.9Very high16 Ų1664.4 Ų64.410%0.09734%0.335CS..EExtended strand (participates in β ladder)trans-131.5120.6-171.8-159.90000110.3T114 V115 E134 V138 L168 R172T114-V136 CarbonylContact C-O 3.59Å; T114-V136 WeakPolarHBondContact CA-O 3.47Å; V115-V136 PolarHBondContact N-O 3.48Å; V115-V136 PolarHBondContact O-N 3.17Å; E134-V136 HydrophobicContact CG-CG2 3.95Å; V136-V138 WeakPolarHBondContact O-CG2 3.34Å; V136-V138 PolarHBondContact O-N 2.66Å; V136-L168 HydrophobicContact CB-CD1 4.29Å; V136-L168 HydrophobicContact CG1-CD1 4.27Å; V136-L168 HydrophobicContact CG1-CD2 4.25Å; V136-R172 VanDerWaalsContact CG1-NH1 3.31Å
137E95.9Very high93.3Very high149 Ų14961.1 Ų61.170%0.69632%0.321SS*.EExtended strand (participates in β ladder)trans-69.8118.5161.9-71.5179.9175.700109.3T114T114-E137 HydrophobicContact CG2-CG 3.8Å
138V95.1Very high94.3Very high18 Ų1856.1 Ų56.111%0.10930%0.298CS..  trans-90.5-29.4-168.8-175.80000112.4G113 V115 V136 I145 V159 T166 L168G113-V138 PolarHBondContact O-N 2.89Å; G113-V138 VanDerWaalsContact O-N 3.11Å; V115-V138 HydrophobicContact CB-CG2 4.07Å; V115-V138 HydrophobicContact CG2-CG2 3.54Å; V136-V138 WeakPolarHBondContact O-CG2 3.34Å; V136-V138 PolarHBondContact O-N 2.66Å; V138-I145 HydrophobicContact CG2-CD1 4.22Å; V138-V159 HydrophobicContact CG1-CB 3.9Å; V138-V159 HydrophobicContact CG1-CG1 3.9Å; V138-V159 HydrophobicContact CG1-CG2 4.23Å; V138-T166 HydrophobicContact CG1-CG2 3.15Å; V138-L168 HydrophobicContact CG1-CD1 4.42Å; V138-L168 HydrophobicContact CG2-CD1 3.86Å
139F93.8Very high94.9Very high33 Ų3361.4 Ų61.415%0.14532%0.318CS..SBendtrans-123.3148.9178.4-61.8-83.2000109.6V141 V159 S161 L163 T166F139-V141 PolarHBondContact O-N 3.44Å; F139-V159 HydrophobicContact CE2-CG1 4.4Å; F139-S161 VanDerWaalsContact CE2-OG 3.27Å; F139-S161 WeakPolarHBondContact CE2-OG 3.49Å; F139-S161 VanDerWaalsContact CZ-OG 3.29Å; F139-S161 WeakPolarHBondContact CZ-OG 3.01Å; F139-L163 HydrophobicContact CB-CD1 4.21Å; F139-L163 HydrophobicContact CD1-CB 4.4Å; F139-L163 HydrophobicContact CD1-CD1 4.49Å; F139-L163 HydrophobicContact CG-CD1 4.43Å; F139-T166 HydrophobicContact CE1-CG2 3.92Å; F139-T166 HydrophobicContact CE2-CG2 4.41Å; F139-T166 HydrophobicContact CZ-CG2 3.85Å
140K92.1Very high95.3Very high215 Ų21561.8 Ų61.894%0.93532%0.32SS*.SBendtrans-61.8-32.2176.6-67.5-174.4178.2-177.80113
141V93.9Very high95.6Very high89 Ų8960.5 Ų60.554%0.53932%0.318SS..SBendtrans-102.4117.7174.9-178.90000107F139 T143 L163F139-V141 PolarHBondContact O-N 3.44Å; V141-T143 HydrophobicContact CG1-CG2 4.28Å; V141-T143 PolarHBondContact O-N 2.68Å; V141-T143 PolarHBondContact O-OG1 2.84Å; V141-L163 HydrophobicContact CB-CD1 4Å
142P94.8Very high95.6Very high89 Ų8962.2 Ų62.258%0.57833%0.332SS*.  trans-52.4112.8176.4-28.936.7000110.5R112R112-P142 WeakPolarHBondContact O-CA 3.33Å; R112-P142 WeakPolarHBondContact O-CB 3.37Å
143T96.6Very high95.5Very high15 Ų1570.1 Ų70.19%0.09236%0.363CS..  trans-143.1139-177.944.60000111.1G113 V141 I145 V162 L163G113-T143 WeakPolarHBondContact CA-O 3.43Å; G113-T143 PolarHBondContact N-O 3.44Å; V141-T143 HydrophobicContact CG1-CG2 4.28Å; V141-T143 PolarHBondContact O-N 2.68Å; V141-T143 PolarHBondContact O-OG1 2.84Å; T143-I145 PolarHBondContact O-N 2.85Å; T143-V162 HydrophobicContact CG2-CG2 4.38Å; T143-L163 HydrophobicContact CG2-CD1 3.59Å; T143-L163 HydrophobicContact CG2-CD2 4.27Å; T143-L163 HydrophobicContact CG2-CG 3.77Å; T143-L163 VanDerWaalsContact OG1-CD1 3.3Å; T143-L163 WeakPolarHBondContact OG1-CD1 3.46Å
144P98.1Very high95.6Very high65 Ų6577.5 Ų77.542%0.42239%0.389SS..  trans-54.1133.4-176.5-26.231000113.3D111 T146 S161D111-P144 VanDerWaalsContact O-CA 3.29Å; D111-P144 WeakPolarHBondContact O-CA 3.02Å; D111-P144 WeakPolarHBondContact O-CD 3.34Å; D111-P144 VanDerWaalsContact O-CG 3.27Å; D111-P144 WeakPolarHBondContact O-CG 3.34Å; P144-T146 PolarHBondContact O-N 2.85Å; P144-S161 VanDerWaalsContact O-CB 3.29Å; P144-S161 WeakPolarHBondContact O-CB 3.17Å
145I98.4Very high95.7Very high1 Ų178 Ų781%0.00539%0.392CS..  trans-75.4126.2171.8-61.3-177.9000108.5T89 T90 T110 T114 V115 V138 T143 M148 V159T89-I145 WeakPolarHBondContact CB-O 3.37Å; T89-I145 PolarHBondContact OG1-O 2.82Å; T90-I145 WeakPolarHBondContact OG1-CG2 3.27Å; T110-I145 PolarHBondContact O-N 2.83Å; T114-I145 WeakPolarHBondContact O-CD1 3.49Å; V115-I145 HydrophobicContact CG2-CD1 3.33Å; V138-I145 HydrophobicContact CG2-CD1 4.22Å; T143-I145 PolarHBondContact O-N 2.85Å; I145-M148 HydrophobicContact CG2-CG 3.72Å; I145-M148 HydrophobicContact CG2-SD 4.24Å; I145-V159 HydrophobicContact CB-CG1 4.46Å; I145-V159 HydrophobicContact CD1-CG1 3.82Å; I145-V159 HydrophobicContact CG1-CG1 4.02Å; I145-V159 HydrophobicContact CG2-CG1 3.69Å
146T98.2Very high95.8Very high84 Ų8475.6 Ų75.652%0.51538%0.38SS..  trans-106.9-26.7-176.359.80000112.7T90 P144 G160T90-T146 WeakPolarHBondContact CG2-O 3.49Å; P144-T146 PolarHBondContact O-N 2.85Å; T146-G160 PolarHBondContact N-O 2.04Å; T146-G160 PolarHBondContact OG1-O 3.41Å
147T98.2Very high96Very high65 Ų6574.9 Ų74.940%0.39938%0.376SS..EExtended strand (participates in β ladder)trans-150.9145.2-179.2-1750000111.4G160T147-G160 PolarHBondContact N-O 3.07Å; T147-G160 PolarHBondContact O-N 2.83Å
148M98.4Very high96.1Very high12 Ų1271.8 Ų71.86%0.05936%0.359CS..EExtended strand (participates in β ladder)trans-139.3136.8173.6-69.4-165.1-50.100110.7T90 A92 F107 V115 I145 L157 Y158 V159T90-M148 WeakPolarHBondContact O-CE 3.48Å; T90-M148 WeakPolarHBondContact OG1-CE 3.49Å; A92-M148 HydrophobicContact CB-CB 4.24Å; A92-M148 HydrophobicContact CB-CE 4.39Å; F107-M148 HydrophobicContact CB-CE 4.42Å; F107-M148 WeakPolarHBondContact O-CE 3.45Å; V115-M148 HydrophobicContact CG1-SD 4.4Å; V115-M148 HydrophobicContact CG2-SD 3.86Å; I145-M148 HydrophobicContact CG2-CG 3.72Å; I145-M148 HydrophobicContact CG2-SD 4.24Å; M148-L157 HydrophobicContact CB-CD1 4.21Å; M148-L157 HydrophobicContact SD-CD2 4.29Å; M148-Y158 CarbonylContact C-O 3.49Å; M148-Y158 VanDerWaalsContact CA-O 3.29Å; M148-Y158 WeakPolarHBondContact CA-O 3.42Å; M148-V159 HydrophobicContact CG-CG1 4.33Å; M148-V159 HydrophobicContact CG-CG2 4.44Å
149K98.2Very high96.3Very high147 Ų14771 Ų7164%0.63935%0.354SS*.EExtended strand (participates in β ladder)trans-141.4130.9176.1-68.4-64.7178.8-172.70111.5Y158K149-Y158 PolarHBondContact N-O 2.91Å; K149-Y158 PolarHBondContact O-N 2.88Å
150I98.3Very high96.5Very high42 Ų4269.6 Ų69.622%0.21535%0.348CS..EExtended strand (participates in β ladder)trans-92.4136177.5-65.6170.9000109.6A92 D94 F107 L157 L170A92-I150 HydrophobicContact CB-CD1 3.6Å; A92-I150 HydrophobicContact CB-CG1 3.79Å; D94-I150 HydrophobicContact CB-CD1 4.03Å; D94-I150 HydrophobicContact CB-CG2 4.42Å; F107-I150 HydrophobicContact CD2-CD1 3.62Å; F107-I150 HydrophobicContact CD2-CG1 4.49Å; F107-I150 HydrophobicContact CE2-CD1 3.94Å; I150-L157 HydrophobicContact CD1-CD1 4.42Å; I150-L157 HydrophobicContact CG1-CD1 3.54Å; I150-L170 HydrophobicContact CG1-CD2 4.39Å; I150-L170 HydrophobicContact CG2-CD1 3.95Å; I150-L170 HydrophobicContact CG2-CD2 4.21Å
151S96.9Very high96.8Very high31 Ų3160 Ų6022%0.21731%0.308CS..EExtended strand (participates in β ladder)trans-112.990.9164.5-174.80000109K153 R154 Q155 Q156S151-K153 PolarHBondContact O-N 2.72Å; S151-R154 CarbonylContact O-C 3.6Å; S151-R154 PolarHBondContact O-N 2.92Å; S151-R154 VanDerWaalsContact O-N 3.07Å; S151-R154 PolarHBondContact OG-N 3.29Å; S151-Q155 WeakPolarHBondContact O-CA 3.34Å; S151-Q155 PolarHBondContact O-N 2.97Å; S151-Q156 PolarHBondContact N-O 2.89Å; S151-Q156 PolarHBondContact O-N 3.37Å
152S91.4Very high96.9Very high57 Ų5761.4 Ų61.440%0.39932%0.317SS..THydrogen-bonded Turntrans-62.2-25.5179.2-40.40000111.7D94 Q155D94-S152 PolarHBondContact OD1-OG 3.15Å; S152-Q155 WeakPolarHBondContact O-CG 3.39Å; S152-Q155 PolarHBondContact O-NE2 2.7Å
153K91.8Very high96.9Very high205 Ų20561.9 Ų61.989%0.89131%0.314SS*.THydrogen-bonded Turntrans-68.9-41.8173.2-174.4175.3-179.9177.50112.7S151S151-K153 PolarHBondContact O-N 2.72Å
154R95.3Very high96.9Very high174 Ų17462.7 Ų62.766%0.65733%0.325SS*.THydrogen-bonded Turntrans-86.9-12.6179.2-64.7180178.6-86.42.5112.7S151 Q156 Y158S151-R154 CarbonylContact O-C 3.6Å; S151-R154 PolarHBondContact O-N 2.92Å; S151-R154 VanDerWaalsContact O-N 3.07Å; S151-R154 PolarHBondContact OG-N 3.29Å; R154-Q156 VanDerWaalsContact C-N 3.29Å; R154-Q156 HydrophobicContact CB-CB 4.42Å; R154-Q156 HydrophobicContact CB-CG 4.02Å; R154-Q156 WeakPolarHBondContact O-CG 3.03Å; R154-Y158 WeakPolarHBondContact CD-OH 3.3Å
155Q94.6Very high96.9Very high36 Ų3664.9 Ų64.917%0.16834%0.337CS..THydrogen-bonded Turntrans59.442.3-175.1-64.7-72.6-42.600112S151 S152 L170 R200S151-Q155 WeakPolarHBondContact O-CA 3.34Å; S151-Q155 PolarHBondContact O-N 2.97Å; S152-Q155 WeakPolarHBondContact O-CG 3.39Å; S152-Q155 PolarHBondContact O-NE2 2.7Å; Q155-L170 PolarHBondContact O-N 3.06Å; Q155-R200 VanDerWaalsContact CD-CZ 3.47Å
156Q97.6Very high96.8Very high44 Ų4467 Ų6721%0.20635%0.35CS..EExtended strand (participates in β ladder)trans-128.6144.4-178.4-58.6-59.3-30.800111S151 R154 Y158 H167 L168 A169S151-Q156 PolarHBondContact N-O 2.89Å; S151-Q156 PolarHBondContact O-N 3.37Å; R154-Q156 VanDerWaalsContact C-N 3.29Å; R154-Q156 HydrophobicContact CB-CB 4.42Å; R154-Q156 HydrophobicContact CB-CG 4.02Å; R154-Q156 WeakPolarHBondContact O-CG 3.03Å; Q156-Y158 HydrophobicContact CB-CE2 4.1Å; Q156-H167 PolarHBondContact OE1-CD2 3.22Å; Q156-L168 CarbonylContact C-O 3.6Å; Q156-L168 WeakPolarHBondContact CA-O 3Å; Q156-L168 PolarHBondContact OE1-O 2.73Å; Q156-A169 VanDerWaalsContact OE1-CA 3.29Å
157L98.4Very high96.7Very high1 Ų168.1 Ų68.11%0.00535%0.349CS..EExtended strand (participates in β ladder)trans-101.5119.6163.7176.670.7000108.2A92 F107 V115 M148 I150 V159 H167 L168 L170A92-L157 HydrophobicContact CB-CD1 4.22Å; F107-L157 HydrophobicContact CB-CD1 4.46Å; F107-L157 HydrophobicContact CB-CD2 4.05Å; F107-L157 HydrophobicContact CD1-CD2 3.76Å; F107-L157 HydrophobicContact CE1-CD2 4.5Å; F107-L157 HydrophobicContact CG-CD2 4.05Å; V115-L157 HydrophobicContact CG1-CD2 3.86Å; V115-L157 HydrophobicContact CG2-CD2 4.48Å; M148-L157 HydrophobicContact CB-CD1 4.21Å; M148-L157 HydrophobicContact SD-CD2 4.29Å; I150-L157 HydrophobicContact CD1-CD1 4.42Å; I150-L157 HydrophobicContact CG1-CD1 3.54Å; L157-V159 HydrophobicContact CD2-CG2 3.89Å; L157-V159 HydrophobicContact CG-CG2 3.88Å; L157-H167 CarbonylContact O-C 3.48Å; L157-H167 WeakPolarHBondContact O-CA 3.28Å; L157-L168 PolarHBondContact N-O 2.98Å; L157-L168 PolarHBondContact O-N 3.45Å; L157-L170 HydrophobicContact CB-CD2 3.86Å
158Y98.4Very high96.6Very high85 Ų8566.4 Ų66.433%0.33334%0.338SS..EExtended strand (participates in β ladder)trans-89.2130.7170.9-64-91.9000109M148 K149 R154 Q156 T166 H167M148-Y158 CarbonylContact C-O 3.49Å; M148-Y158 VanDerWaalsContact CA-O 3.29Å; M148-Y158 WeakPolarHBondContact CA-O 3.42Å; K149-Y158 PolarHBondContact N-O 2.91Å; K149-Y158 PolarHBondContact O-N 2.88Å; R154-Y158 WeakPolarHBondContact CD-OH 3.3Å; Q156-Y158 HydrophobicContact CB-CE2 4.1Å; Y158-T166 WeakPolarHBondContact CA-O 3.37Å; Y158-H167 HydrophobicContact CD1-CB 4.04Å; Y158-H167 HydrophobicContact CE1-CB 4.21Å
159V98.5Very high96.5Very high1 Ų167.5 Ų67.51%0.00635%0.348CS..EExtended strand (participates in β ladder)trans-125.5128.9-176.1-173.20000108.6V115 V138 F139 I145 M148 L157 V165 T166 L168V115-V159 HydrophobicContact CG2-CG1 4.4Å; V115-V159 HydrophobicContact CG2-CG2 4.18Å; V138-V159 HydrophobicContact CG1-CB 3.9Å; V138-V159 HydrophobicContact CG1-CG1 3.9Å; V138-V159 HydrophobicContact CG1-CG2 4.23Å; F139-V159 HydrophobicContact CE2-CG1 4.4Å; I145-V159 HydrophobicContact CB-CG1 4.46Å; I145-V159 HydrophobicContact CD1-CG1 3.82Å; I145-V159 HydrophobicContact CG1-CG1 4.02Å; I145-V159 HydrophobicContact CG2-CG1 3.69Å; M148-V159 HydrophobicContact CG-CG1 4.33Å; M148-V159 HydrophobicContact CG-CG2 4.44Å; L157-V159 HydrophobicContact CD2-CG2 3.89Å; L157-V159 HydrophobicContact CG-CG2 3.88Å; V159-V165 WeakPolarHBondContact O-CA 2.99Å; V159-T166 HydrophobicContact CB-CG2 4.44Å; V159-T166 PolarHBondContact N-O 2.81Å; V159-T166 PolarHBondContact O-N 3.48Å; V159-L168 HydrophobicContact CG2-CD1 4.42Å
160G98.1Very high96.4Very high3 Ų360.5 Ų60.53%0.03132%0.318CS..EExtended strand (participates in β ladder)trans-118.8139.817800000112.5T146 T147 G164T146-G160 PolarHBondContact N-O 2.04Å; T146-G160 PolarHBondContact OG1-O 3.41Å; T147-G160 PolarHBondContact N-O 3.07Å; T147-G160 PolarHBondContact O-N 2.83Å; G160-G164 WeakPolarHBondContact CA-O 3.07Å
161S97.9Very high96.3Very high13 Ų1360.8 Ų60.89%0.09132%0.318CS..EExtended strand (participates in β ladder)trans-134.5-178.1170.375.60000109.7F139 P144 L163 G164F139-S161 VanDerWaalsContact CE2-OG 3.27Å; F139-S161 WeakPolarHBondContact CE2-OG 3.49Å; F139-S161 VanDerWaalsContact CZ-OG 3.29Å; F139-S161 WeakPolarHBondContact CZ-OG 3.01Å; P144-S161 VanDerWaalsContact O-CB 3.29Å; P144-S161 WeakPolarHBondContact O-CB 3.17Å; S161-L163 PolarHBondContact O-N 3.39Å; S161-L163 PolarHBondContact OG-N 3.28Å; S161-L163 VanDerWaalsContact OG-N 3.16Å; S161-G164 PolarHBondContact N-O 2.92Å; S161-G164 PolarHBondContact O-N 3.44Å; S161-G164 VanDerWaalsContact O-N 3.17Å
162V96.7Very high96.1Very high120 Ų12062.6 Ų62.673%0.72732%0.32SS*.THydrogen-bonded Turntrans-61.5-20.8172.4-62.70000113.3T143T143-V162 HydrophobicContact CG2-CG2 4.38Å
163L95.7Very high96.2Very high99 Ų9960 Ų6052%0.51830%0.302SS..THydrogen-bonded Turntrans-81-22.1177.5-60.7-179.8000112.9F139 V141 T143 S161F139-L163 HydrophobicContact CB-CD1 4.21Å; F139-L163 HydrophobicContact CD1-CB 4.4Å; F139-L163 HydrophobicContact CD1-CD1 4.49Å; F139-L163 HydrophobicContact CG-CD1 4.43Å; V141-L163 HydrophobicContact CB-CD1 4Å; T143-L163 HydrophobicContact CG2-CD1 3.59Å; T143-L163 HydrophobicContact CG2-CD2 4.27Å; T143-L163 HydrophobicContact CG2-CG 3.77Å; T143-L163 VanDerWaalsContact OG1-CD1 3.3Å; T143-L163 WeakPolarHBondContact OG1-CD1 3.46Å; S161-L163 PolarHBondContact O-N 3.39Å; S161-L163 PolarHBondContact OG-N 3.28Å; S161-L163 VanDerWaalsContact OG-N 3.16Å
164G96.4Very high96.2Very high31 Ų3156.1 Ų56.132%0.3229%0.291SS..EExtended strand (participates in β ladder)trans143.2-157.9-177.900000113.2G160 S161G160-G164 WeakPolarHBondContact CA-O 3.07Å; S161-G164 PolarHBondContact N-O 2.92Å; S161-G164 PolarHBondContact O-N 3.44Å; S161-G164 VanDerWaalsContact O-N 3.17Å
165V97.7Very high95.9Very high112 Ų11250.7 Ų50.768%0.67928%0.277SS*.EExtended strand (participates in β ladder)trans-122134.3-177.4-1790000109.8V159V159-V165 WeakPolarHBondContact O-CA 2.99Å
166T97.1Very high95.6Very high45 Ų4550.3 Ų50.328%0.27627%0.274SS..EExtended strand (participates in β ladder)trans-133.1178171.9-170.20000110.3V138 F139 Y158 V159V138-T166 HydrophobicContact CG1-CG2 3.15Å; F139-T166 HydrophobicContact CE1-CG2 3.92Å; F139-T166 HydrophobicContact CE2-CG2 4.41Å; F139-T166 HydrophobicContact CZ-CG2 3.85Å; Y158-T166 WeakPolarHBondContact CA-O 3.37Å; V159-T166 HydrophobicContact CB-CG2 4.44Å; V159-T166 PolarHBondContact N-O 2.81Å; V159-T166 PolarHBondContact O-N 3.48Å
167H96.1Very high94.8Very high108 Ų10848.4 Ų48.450%0.527%0.266SS..EExtended strand (participates in β ladder)trans-137.6150.6177.863.8-77.8000112.2Q156 L157 Y158Q156-H167 PolarHBondContact OE1-CD2 3.22Å; L157-H167 CarbonylContact O-C 3.48Å; L157-H167 WeakPolarHBondContact O-CA 3.28Å; Y158-H167 HydrophobicContact CD1-CB 4.04Å; Y158-H167 HydrophobicContact CE1-CB 4.21Å
168L95.8Very high94Very high29 Ų2956.7 Ų56.715%0.15231%0.305CS..EExtended strand (participates in β ladder)trans-126.3138.1176.5-60.3173.7000109.2V115 V136 V138 Q156 L157 V159V115-L168 HydrophobicContact CB-CD1 4.47Å; V136-L168 HydrophobicContact CB-CD1 4.29Å; V136-L168 HydrophobicContact CG1-CD1 4.27Å; V136-L168 HydrophobicContact CG1-CD2 4.25Å; V138-L168 HydrophobicContact CG1-CD1 4.42Å; V138-L168 HydrophobicContact CG2-CD1 3.86Å; Q156-L168 CarbonylContact C-O 3.6Å; Q156-L168 WeakPolarHBondContact CA-O 3Å; Q156-L168 PolarHBondContact OE1-O 2.73Å; L157-L168 PolarHBondContact N-O 2.98Å; L157-L168 PolarHBondContact O-N 3.45Å; V159-L168 HydrophobicContact CG2-CD1 4.42Å
169A96.5Very high93.3Very high34 Ų3453.6 Ų53.628%0.28130%0.297SS..EExtended strand (participates in β ladder)trans-63.9138.4170.600000109.7Q156 H171 R172Q156-A169 VanDerWaalsContact OE1-CA 3.29Å; A169-H171 WeakPolarHBondContact CB-O 3.28Å; A169-H171 PolarHBondContact O-N 2.8Å; A169-H171 VanDerWaalsContact O-N 3.14Å; A169-R172 HydrophobicContact CB-CG 4.5Å
170L96.2Very high92.8Very high0 Ų053.6 Ų53.60%030%0.297CS..SBendtrans-65.3-16.7176.9-61.5176.5000112.6F107 K117 I150 Q155 L157 Y190F107-L170 HydrophobicContact CE1-CD2 4.11Å; F107-L170 HydrophobicContact CE2-CD2 3.84Å; F107-L170 HydrophobicContact CZ-CB 4.35Å; F107-L170 HydrophobicContact CZ-CD2 3.5Å; F107-L170 HydrophobicContact CZ-CG 4.49Å; K117-L170 PolarHBondContact NZ-O 2.82Å; I150-L170 HydrophobicContact CG1-CD2 4.39Å; I150-L170 HydrophobicContact CG2-CD1 3.95Å; I150-L170 HydrophobicContact CG2-CD2 4.21Å; Q155-L170 PolarHBondContact O-N 3.06Å; L157-L170 HydrophobicContact CB-CD2 3.86Å; L170-Y190 HydrophobicContact CB-CD1 4.32Å; L170-Y190 HydrophobicContact CB-CE1 3.71Å; L170-Y190 HydrophobicContact CB-CE2 4.49Å; L170-Y190 HydrophobicContact CD1-CE1 4.15Å
171H94.4Very high92.3Very high49 Ų4953.7 Ų53.723%0.22730%0.297CS..  trans-133.3133.4178.663.487.9000110.1A169 Y190 R200A169-H171 WeakPolarHBondContact CB-O 3.28Å; A169-H171 PolarHBondContact O-N 2.8Å; A169-H171 VanDerWaalsContact O-N 3.14Å; H171-Y190 HydrophobicContact CB-CD1 4.4Å; H171-Y190 HydrophobicContact CB-CG 4.21Å; H171-R200 PolarHBondContact CD2-NH1 2.86Å; H171-R200 PolarHBondContact NE2-NH1 3.24Å
172R93.9Very high91.7Very high68 Ų6854.9 Ų54.926%0.25730%0.303SS..  trans-130.650.7174.5-60.8-165.1-61.4178.68.6109.4E134 V136 A169 D174 V175E134-R172 IonicContact OE1-CZ 3.96Å; E134-R172 IonicContact OE1-NE 2.96Å; E134-R172 PolarHBondContact OE1-NE 2.9Å; E134-R172 IonicContact OE1-NH2 2.82Å; E134-R172 PolarHBondContact OE1-NH2 3.36Å; E134-R172 IonicContact OE2-NE 3.41Å; E134-R172 IonicContact OE2-NH2 2.72Å; V136-R172 VanDerWaalsContact CG1-NH1 3.31Å; A169-R172 HydrophobicContact CB-CG 4.5Å; R172-D174 VanDerWaalsContact C-OD1 3.25Å; R172-D174 PolarHBondContact O-N 2.97Å; R172-D174 VanDerWaalsContact O-N 3.07Å; R172-V175 HydrophobicContact CB-CG1 4Å; R172-V175 HydrophobicContact CB-CG2 3.98Å; R172-V175 WeakPolarHBondContact O-CB 3.3Å; R172-V175 WeakPolarHBondContact O-CG2 3.39Å; R172-V175 PolarHBondContact O-N 3.37Å
173C93.8Very high91.4Very high3 Ų349.5 Ų49.52%0.0227%0.27CS..G310 helixtrans-58.4-29.2-166.7-53.20000114V175 Y176 C191 C198 S199C173-V175 PolarHBondContact O-N 3.24Å; C173-Y176 PolarHBondContact O-N 2.74Å; C173-C191 WeakPolarHBondContact CA-SG 3.48Å; C173-C191 HydrophobicContact CB-CB 3.69Å; C173-C191 WeakPolarHBondContact CB-SG 3.48Å; C173-C191 WeakPolarHBondContact SG-CA 3.2Å; C173-C191 WeakPolarHBondContact SG-CB 3.46Å; C173-C191 CovalentContact SG-SG 2.04Å; C173-C191 PolarHBondContact SG-SG 2.91Å; C173-C198 WeakPolarHBondContact O-CB 3.1Å; C173-C198 PolarHBondContact O-SG 2.82Å; C173-C198 VanDerWaalsContact O-SG 3.39Å; C173-S199 VanDerWaalsContact SG-C 3.57Å
174D90.4Very high91.2Very high124 Ų12445 Ų4566%0.66325%0.247SC*.G310 helixtrans-61.8-26.5174.652.3-57.3000113.3R172 Y176R172-D174 VanDerWaalsContact C-OD1 3.25Å; R172-D174 PolarHBondContact O-N 2.97Å; R172-D174 VanDerWaalsContact O-N 3.07Å; D174-Y176 VanDerWaalsContact C-N 3.26Å; D174-Y176 PolarHBondContact O-N 2.04Å
175V89.4Confident90.9Very high59 Ų5944.4 Ų44.436%0.35824%0.236SC..G310 helixtrans-72.7-18.8178.3-53.90000113.1R172 C173 R254R172-V175 HydrophobicContact CB-CG1 4Å; R172-V175 HydrophobicContact CB-CG2 3.98Å; R172-V175 WeakPolarHBondContact O-CB 3.3Å; R172-V175 WeakPolarHBondContact O-CG2 3.39Å; R172-V175 PolarHBondContact O-N 3.37Å; C173-V175 PolarHBondContact O-N 3.24Å; V175-R254 PolarHBondContact O-NH1 2.84Å
176Y87.6Confident90.6Very high28 Ų2839.9 Ų39.911%0.1121%0.211CC..SBendtrans-75.7-30.3-176.7-63.9-50.7000112.9C173 D174 D182 A186 D188 C191 R254C173-Y176 PolarHBondContact O-N 2.74Å; D174-Y176 VanDerWaalsContact C-N 3.26Å; D174-Y176 PolarHBondContact O-N 2.04Å; Y176-D182 WeakPolarHBondContact O-CB 3.41Å; Y176-A186 HydrophobicContact CD1-CB 3.52Å; Y176-A186 HydrophobicContact CD2-CB 3.56Å; Y176-A186 HydrophobicContact CE1-CB 3.87Å; Y176-A186 HydrophobicContact CE2-CB 3.9Å; Y176-A186 HydrophobicContact CG-CB 3.37Å; Y176-D188 HydrophobicContact CE2-CB 3.74Å; Y176-D188 PolarHBondContact OH-OD2 3.03Å; Y176-D188 VanDerWaalsContact OH-OD2 3.11Å; Y176-C191 HydrophobicContact CD2-CB 4.39Å; Y176-C191 HydrophobicContact CE2-CB 4.29Å; Y176-R254 WeakPolarHBondContact O-CD 3.19Å
177G81.8Confident90.4Very high4 Ų438.2 Ų38.24%0.04120%0.2CC..  trans137.9173.3177.500000113.2
178E80.9Confident90.4Very high176 Ų17633.1 Ų33.182%0.82218%0.176SC*.SBendtrans-94.2-8.1-177.6-62.1-171.2171.300112.9W193E178-W193 WeakPolarHBondContact O-CH2 3.29Å; E178-W193 WeakPolarHBondContact O-CZ3 3.44Å
179A84.2Confident90.4Very high19 Ų1931.8 Ų31.816%0.15717%0.169CC..SBendtrans-94.8150.9178.400000112.3A181 D182 C183 W193 A230A179-A181 PolarHBondContact O-N 3.43Å; A179-D182 WeakPolarHBondContact CB-OD2 3.47Å; A179-D182 PolarHBondContact N-OD2 3.3Å; A179-D182 PolarHBondContact O-N 3.46Å; A179-C183 PolarHBondContact O-N 3.27Å; A179-W193 VanDerWaalsContact C-CZ3 3.42Å; A179-A230 HydrophobicContact CB-CB 4.27Å
180C87.8Confident90.4Very high2 Ų230.4 Ų30.41%0.01416%0.157CC..Hα-helixtrans-56.7-40173-1790000111.7C183 C184 W193 C223C180-C183 PolarHBondContact O-N 3.43Å; C180-C184 WeakPolarHBondContact O-CB 3.27Å; C180-C184 PolarHBondContact O-N 3.4Å; C180-W193 VanDerWaalsContact CA-CE3 3.49Å; C180-W193 HydrophobicContact CB-CD2 3.65Å; C180-W193 HydrophobicContact CB-CE3 4.14Å; C180-W193 HydrophobicContact CB-CG 3.83Å; C180-W193 HydrophobicContact CB-CZ2 4.21Å; C180-C223 HydrophobicContact CB-CB 3.68Å; C180-C223 WeakPolarHBondContact CB-SG 3.5Å; C180-C223 PolarHBondContact O-SG 2.85Å; C180-C223 VanDerWaalsContact SG-CA 3.52Å; C180-C223 WeakPolarHBondContact SG-CB 3.47Å; C180-C223 CovalentContact SG-SG 2.04Å; C180-C223 PolarHBondContact SG-SG 3.49Å
181A87Confident90.3Very high4 Ų430.5 Ų30.53%0.03316%0.157CC..Hα-helixtrans-61.6-45.5-179.500000111.9A179 C183 C184 L185 P219 F310A179-A181 PolarHBondContact O-N 3.43Å; A181-C183 PolarHBondContact O-N 3.21Å; A181-C184 PolarHBondContact O-N 3.04Å; A181-C184 VanDerWaalsContact O-N 3.17Å; A181-L185 WeakPolarHBondContact O-CB 3.42Å; A181-L185 VanDerWaalsContact O-CG 3.3Å; A181-L185 WeakPolarHBondContact O-CG 3.49Å; A181-L185 PolarHBondContact O-N 2.92Å; A181-P219 HydrophobicContact CB-CB 3.93Å; A181-P219 HydrophobicContact CB-CG 4.25Å; A181-F310 HydrophobicContact CB-CE1 3.56Å; A181-F310 HydrophobicContact CB-CZ 3.58Å
182D86.3Confident90.3Very high39 Ų3928.2 Ų28.221%0.20915%0.147CC..Hα-helixtrans-61.5-45.7179.6-51.8-27.2000111.1Y176 A179 C184 L185 A186 H312Y176-D182 WeakPolarHBondContact O-CB 3.41Å; A179-D182 WeakPolarHBondContact CB-OD2 3.47Å; A179-D182 PolarHBondContact N-OD2 3.3Å; A179-D182 PolarHBondContact O-N 3.46Å; D182-C184 VanDerWaalsContact C-N 3.29Å; D182-C184 PolarHBondContact O-N 2.77Å; D182-L185 PolarHBondContact O-N 2.94Å; D182-A186 PolarHBondContact O-N 2.04Å; D182-H312 IonicContact OD1-NE2 3.63Å
183C90.4Very high90.1Very high6 Ų625.7 Ų25.74%0.04114%0.137CC..Hα-helixtrans-61.8-37.1176.6-162.80000112.7A179 C180 A181 W193 C198A179-C183 PolarHBondContact O-N 3.27Å; C180-C183 PolarHBondContact O-N 3.43Å; A181-C183 PolarHBondContact O-N 3.21Å; C183-W193 HydrophobicContact CB-CB 4.4Å; C183-W193 HydrophobicContact CB-CE3 4.23Å; C183-W193 PolarHBondContact SG-N 3.23Å; C183-W193 VanDerWaalsContact SG-N 3.37Å; C183-C198 VanDerWaalsContact CA-SG 3.52Å; C183-C198 HydrophobicContact CB-CB 3.5Å; C183-C198 VanDerWaalsContact CB-CB 3.5Å; C183-C198 WeakPolarHBondContact CB-SG 3.02Å; C183-C198 WeakPolarHBondContact SG-CA 3.34Å; C183-C198 WeakPolarHBondContact SG-CB 3.11Å; C183-C198 CovalentContact SG-SG 2.04Å; C183-C198 PolarHBondContact SG-SG 2.84Å
184C90.6Very high89.8Confident5 Ų527 Ų273%0.03414%0.144CC..Hα-helixtrans-73.4-36.2178.3-171.80000112.3C180 A181 D182 A186 P219C180-C184 WeakPolarHBondContact O-CB 3.27Å; C180-C184 PolarHBondContact O-N 3.4Å; A181-C184 PolarHBondContact O-N 3.04Å; A181-C184 VanDerWaalsContact O-N 3.17Å; D182-C184 VanDerWaalsContact C-N 3.29Å; D182-C184 PolarHBondContact O-N 2.77Å; C184-A186 VanDerWaalsContact C-N 3.33Å; C184-P219 HydrophobicContact CB-CG 4.24Å
185L90Very high89.6Confident18 Ų1822.2 Ų22.29%0.09413%0.125CC..Hα-helixtrans-71.5-29.5177.8-72.5167.7000112.2A181 D182 R187 P219 E307 F310A181-L185 WeakPolarHBondContact O-CB 3.42Å; A181-L185 VanDerWaalsContact O-CG 3.3Å; A181-L185 WeakPolarHBondContact O-CG 3.49Å; A181-L185 PolarHBondContact O-N 2.92Å; D182-L185 PolarHBondContact O-N 2.94Å; L185-R187 WeakPolarHBondContact O-CG 3.44Å; L185-R187 PolarHBondContact O-N 3.32Å; L185-R187 VanDerWaalsContact O-N 3.16Å; L185-P219 HydrophobicContact CD1-CG 4.26Å; L185-P219 HydrophobicContact CD2-CG 3.8Å; L185-P219 HydrophobicContact CG-CG 3.68Å; L185-E307 HydrophobicContact CD2-CG 4.34Å; L185-F310 HydrophobicContact CD1-CD1 3.91Å; L185-F310 HydrophobicContact CD1-CE1 4.35Å
186A91.6Very high89.3Confident17 Ų1728 Ų2814%0.1415%0.145CC..THydrogen-bonded Turntrans-57.5-28.6176.900000113.5L133 Y176 D182 C184 D188L133-A186 VanDerWaalsContact CD2-O 3.29Å; L133-A186 WeakPolarHBondContact CD2-O 3.48Å; Y176-A186 HydrophobicContact CD1-CB 3.52Å; Y176-A186 HydrophobicContact CD2-CB 3.56Å; Y176-A186 HydrophobicContact CE1-CB 3.87Å; Y176-A186 HydrophobicContact CE2-CB 3.9Å; Y176-A186 HydrophobicContact CG-CB 3.37Å; D182-A186 PolarHBondContact O-N 2.04Å; C184-A186 VanDerWaalsContact C-N 3.33Å; A186-D188 PolarHBondContact O-N 3.23Å
187R93.4Very high89.3Confident10 Ų1028.9 Ų28.94%0.03816%0.156CC..  trans52.417.9179-65.8170.177.9-168.818114.5E129 L131 L133 L185 P189 V214 K215E129-R187 IonicContact OE1-CZ 3.86Å; E129-R187 IonicContact OE1-NH1 2.8Å; E129-R187 PolarHBondContact OE1-NH1 3.22Å; E129-R187 IonicContact OE1-NH2 2.89Å; E129-R187 IonicContact OE2-CZ 2.61Å; E129-R187 IonicContact OE2-NH1 3.92Å; E129-R187 IonicContact OE2-NH2 2.62Å; E129-R187 PolarHBondContact OE2-NH2 3.32Å; L131-R187 HydrophobicContact CD2-CB 3.77Å; L131-R187 HydrophobicContact CD2-CG 4.4Å; L133-R187 HydrophobicContact CD2-CB 4.33Å; L185-R187 WeakPolarHBondContact O-CG 3.44Å; L185-R187 PolarHBondContact O-N 3.32Å; L185-R187 VanDerWaalsContact O-N 3.16Å; R187-P189 WeakPolarHBondContact O-CD 3.41Å; R187-V214 PolarHBondContact NE-O 3.43Å; R187-V214 WeakPolarHBondContact O-CG1 3.39Å; R187-K215 PolarHBondContact NH2-O 3.34Å
188D95.7Very high89.8Confident2 Ų229.1 Ų29.11%0.01116%0.156CC..  trans-74.4118.9180-176.9-6.5000110.2K117 L133 Y176 A186 Y190 C191 Q212K117-D188 WeakPolarHBondContact CE-OD1 3.29Å; K117-D188 IonicContact NZ-OD1 3.69Å; K117-D188 PolarHBondContact NZ-OD1 3.48Å; K117-D188 IonicContact NZ-OD2 2.93Å; K117-D188 PolarHBondContact NZ-OD2 3.22Å; L133-D188 HydrophobicContact CD1-CB 4.31Å; Y176-D188 HydrophobicContact CE2-CB 3.74Å; Y176-D188 PolarHBondContact OH-OD2 3.03Å; Y176-D188 VanDerWaalsContact OH-OD2 3.11Å; A186-D188 PolarHBondContact O-N 3.23Å; D188-Y190 PolarHBondContact O-N 3.32Å; D188-Y190 WeakPolarHBondContact OD1-CB 3.44Å; D188-Y190 VanDerWaalsContact OD1-CD2 3.27Å; D188-Y190 WeakPolarHBondContact OD1-CD2 3.35Å; D188-Y190 PolarHBondContact OD1-N 3.16Å; D188-C191 HydrophobicContact CB-CB 4.07Å; D188-C191 PolarHBondContact O-N 3.17Å; D188-C191 VanDerWaalsContact O-O 3.1Å; D188-C191 PolarHBondContact OD2-SG 3.38Å; D188-C191 VanDerWaalsContact OD2-SG 3.41Å; D188-Q212 PolarHBondContact O-NE2 3.16Å
189P96.1Very high90.4Very high0 Ų022.1 Ų22.10%013%0.127CC..THydrogen-bonded Turntrans-56.9-24.7178.3-2534.5000114V96 A98 Y103 V105 I119 R187 C191 Q212 V214V96-P189 HydrophobicContact CB-CB 4.16Å; V96-P189 HydrophobicContact CG1-CB 3.95Å; A98-P189 HydrophobicContact CB-CB 4.24Å; Y103-P189 HydrophobicContact CD2-CB 4.16Å; Y103-P189 HydrophobicContact CD2-CG 4.17Å; Y103-P189 HydrophobicContact CG-CB 4.35Å; Y103-P189 HydrophobicContact CG-CG 3.94Å; V105-P189 HydrophobicContact CG2-CB 4.46Å; V105-P189 HydrophobicContact CG2-CG 4.01Å; I119-P189 HydrophobicContact CD1-CG 4.5Å; I119-P189 HydrophobicContact CG2-CG 4.17Å; R187-P189 WeakPolarHBondContact O-CD 3.41Å; P189-C191 VanDerWaalsContact C-N 3.31Å; P189-Q212 VanDerWaalsContact C-NE2 3.32Å; P189-Q212 PolarHBondContact O-NE2 3.18Å; P189-V214 HydrophobicContact CB-CG2 4.27Å; P189-V214 HydrophobicContact CG-CG1 3.98Å; P189-V214 HydrophobicContact CG-CG2 4.2Å
190Y96Very high90.8Very high5 Ų525.4 Ų25.42%0.0214%0.135CC..THydrogen-bonded Turntrans-80-10.6177-65.7-92.9000113.8D94 V96 V105 F107 K117 L170 H171 D188 R200 Y201D94-Y190 VanDerWaalsContact CB-OH 3.28Å; D94-Y190 WeakPolarHBondContact CB-OH 3.28Å; D94-Y190 PolarHBondContact OD2-OH 2.9Å; V96-Y190 HydrophobicContact CG1-CD1 3.95Å; V96-Y190 HydrophobicContact CG1-CD2 4.28Å; V96-Y190 HydrophobicContact CG1-CE1 4.06Å; V96-Y190 HydrophobicContact CG1-CE2 4.42Å; V96-Y190 HydrophobicContact CG1-CG 4.1Å; V96-Y190 HydrophobicContact CG2-CD1 4.31Å; V96-Y190 HydrophobicContact CG2-CD2 4.13Å; V96-Y190 HydrophobicContact CG2-CE1 3.64Å; V96-Y190 HydrophobicContact CG2-CE2 3.48Å; V96-Y190 VanDerWaalsContact CG2-CE2 3.48Å; V96-Y190 WeakPolarHBondContact CG2-OH 3.27Å; V105-Y190 HydrophobicContact CB-CE2 4.15Å; V105-Y190 HydrophobicContact CG1-CE2 4.12Å; V105-Y190 HydrophobicContact CG2-CD2 4.49Å; V105-Y190 HydrophobicContact CG2-CE2 3.89Å; F107-Y190 HydrophobicContact CZ-CE2 4.33Å; K117-Y190 VanDerWaalsContact NZ-CD2 3.27Å; L170-Y190 HydrophobicContact CB-CD1 4.32Å; L170-Y190 HydrophobicContact CB-CE1 3.71Å; L170-Y190 HydrophobicContact CB-CE2 4.49Å; L170-Y190 HydrophobicContact CD1-CE1 4.15Å; H171-Y190 HydrophobicContact CB-CD1 4.4Å; H171-Y190 HydrophobicContact CB-CG 4.21Å; D188-Y190 PolarHBondContact O-N 3.32Å; D188-Y190 WeakPolarHBondContact OD1-CB 3.44Å; D188-Y190 VanDerWaalsContact OD1-CD2 3.27Å; D188-Y190 WeakPolarHBondContact OD1-CD2 3.35Å; D188-Y190 PolarHBondContact OD1-N 3.16Å; Y190-R200 CarbonylContact O-C 3.59Å; Y190-R200 WeakPolarHBondContact O-CA 3.48Å; Y190-Y201 PolarHBondContact O-N 3.23Å
191C95Very high90.9Very high3 Ų327.4 Ų27.42%0.0214%0.143CC..EExtended strand (participates in β ladder)trans-123.5139.2-169.5-60.70000112.6C173 Y176 D188 P189 S199 Q212C173-C191 WeakPolarHBondContact CA-SG 3.48Å; C173-C191 HydrophobicContact CB-CB 3.69Å; C173-C191 WeakPolarHBondContact CB-SG 3.48Å; C173-C191 WeakPolarHBondContact SG-CA 3.2Å; C173-C191 WeakPolarHBondContact SG-CB 3.46Å; C173-C191 CovalentContact SG-SG 2.04Å; C173-C191 PolarHBondContact SG-SG 2.91Å; Y176-C191 HydrophobicContact CD2-CB 4.39Å; Y176-C191 HydrophobicContact CE2-CB 4.29Å; D188-C191 HydrophobicContact CB-CB 4.07Å; D188-C191 PolarHBondContact O-N 3.17Å; D188-C191 VanDerWaalsContact O-O 3.1Å; D188-C191 PolarHBondContact OD2-SG 3.38Å; D188-C191 VanDerWaalsContact OD2-SG 3.41Å; P189-C191 VanDerWaalsContact C-N 3.31Å; C191-S199 CarbonylContact C-O 3.6Å; C191-S199 WeakPolarHBondContact CA-O 3.4Å; C191-Q212 WeakPolarHBondContact O-CG 3.46Å; C191-Q212 PolarHBondContact O-NE2 2.89Å
192A93.5Very high90.9Very high1 Ų130 Ų301%0.00816%0.161CC..EExtended strand (participates in β ladder)trans-147.2147.7177.500000110.6D194 S199 Y201 R210 Q212A192-D194 PolarHBondContact O-N 2.78Å; A192-S199 PolarHBondContact N-O 2.8Å; A192-S199 PolarHBondContact O-N 2.91Å; A192-S199 PolarHBondContact O-OG 2.61Å; A192-Y201 HydrophobicContact CB-CD2 3.95Å; A192-R210 HydrophobicContact CB-CG 3.82Å; A192-Q212 HydrophobicContact CB-CB 3.92Å; A192-Q212 HydrophobicContact CB-CG 4.38Å
193W91.4Very high90.5Very high14 Ų1431.9 Ų31.95%0.05318%0.182CC..EExtended strand (participates in β ladder)trans-70.5126.7170.5-178.1-106.5000108.9E178 A179 C180 C183 G195 K196 S197 R210 R211 Y226E178-W193 WeakPolarHBondContact O-CH2 3.29Å; E178-W193 WeakPolarHBondContact O-CZ3 3.44Å; A179-W193 VanDerWaalsContact C-CZ3 3.42Å; C180-W193 VanDerWaalsContact CA-CE3 3.49Å; C180-W193 HydrophobicContact CB-CD2 3.65Å; C180-W193 HydrophobicContact CB-CE3 4.14Å; C180-W193 HydrophobicContact CB-CG 3.83Å; C180-W193 HydrophobicContact CB-CZ2 4.21Å; C183-W193 HydrophobicContact CB-CB 4.4Å; C183-W193 HydrophobicContact CB-CE3 4.23Å; C183-W193 PolarHBondContact SG-N 3.23Å; C183-W193 VanDerWaalsContact SG-N 3.37Å; W193-G195 VanDerWaalsContact CD1-N 3.31Å; W193-K196 WeakPolarHBondContact CH2-O 3.35Å; W193-K196 VanDerWaalsContact CZ2-C 3.49Å; W193-S197 VanDerWaalsContact CZ3-C 3.4Å; W193-R210 CarbonylContact O-C 3.49Å; W193-R210 WeakPolarHBondContact O-CA 3.29Å; W193-R210 WeakPolarHBondContact O-CG 3.29Å; W193-R211 HydrophobicContact CB-CB 4.18Å; W193-R211 PolarHBondContact N-O 2.84Å; W193-R211 PolarHBondContact O-N 3.11Å; W193-Y226 HydrophobicContact CZ2-CD1 4.5Å; W193-Y226 AromaticContact NE1-CD1 3.45Å; W193-Y226 AromaticContact NE1-CE1 3.85Å; W193-Y226 AromaticContact NE1-CG 3.72Å
194D86.9Confident89.6Confident30 Ų3034.7 Ų34.716%0.1620%0.202CC..  trans-95.7-1.8-178.573.7-11.8000114.6A192 K196 S197 S199 S209A192-D194 PolarHBondContact O-N 2.78Å; D194-K196 WeakPolarHBondContact OD1-CA 3.49Å; D194-K196 PolarHBondContact OD1-N 3.11Å; D194-S197 PolarHBondContact N-O 2.82Å; D194-S197 VanDerWaalsContact N-O 3.17Å; D194-S197 PolarHBondContact OD1-N 3.48Å; D194-S199 WeakPolarHBondContact CB-OG 3.37Å; D194-S209 PolarHBondContact O-OG 2.78Å
195G85.3Confident88.1Confident25 Ų2543.8 Ų43.826%0.25824%0.243SC..SBendtrans111.2-21.7-171.700000113.2W193 Y226W193-G195 VanDerWaalsContact CD1-N 3.31Å; G195-Y226 WeakPolarHBondContact O-CE1 3.3Å
196K83.6Confident86.7Confident179 Ų17952 Ų5278%0.77828%0.279SS*.SBendtrans-124.2-40-178.5-176.3-178.8177.6-174.50113.1W193 D194W193-K196 WeakPolarHBondContact CH2-O 3.35Å; W193-K196 VanDerWaalsContact CZ2-C 3.49Å; D194-K196 WeakPolarHBondContact OD1-CA 3.49Å; D194-K196 PolarHBondContact OD1-N 3.11Å
197S88.8Confident85.3Confident48 Ų4858.4 Ų58.434%0.33630%0.299SS..SBendtrans-149.5161-174.254.60000111.5W193 D194 S199W193-S197 VanDerWaalsContact CZ3-C 3.4Å; D194-S197 PolarHBondContact N-O 2.82Å; D194-S197 VanDerWaalsContact N-O 3.17Å; D194-S197 PolarHBondContact OD1-N 3.48Å; S197-S199 PolarHBondContact O-N 2.9Å
198C91.4Very high83.9Confident8 Ų869.7 Ų69.75%0.05434%0.341CS..EExtended strand (participates in β ladder)trans-72.6118.1168.1-161.40000109.3C173 C183C173-C198 WeakPolarHBondContact O-CB 3.1Å; C173-C198 PolarHBondContact O-SG 2.82Å; C173-C198 VanDerWaalsContact O-SG 3.39Å; C183-C198 VanDerWaalsContact CA-SG 3.52Å; C183-C198 HydrophobicContact CB-CB 3.5Å; C183-C198 VanDerWaalsContact CB-CB 3.5Å; C183-C198 WeakPolarHBondContact CB-SG 3.02Å; C183-C198 WeakPolarHBondContact SG-CA 3.34Å; C183-C198 WeakPolarHBondContact SG-CB 3.11Å; C183-C198 CovalentContact SG-SG 2.04Å; C183-C198 PolarHBondContact SG-SG 2.84Å
199S92.4Very high82.6Confident30 Ų3070.8 Ų70.821%0.2135%0.35CS..EExtended strand (participates in β ladder)trans-139.1170.2-171.868.90000111.2C173 C191 A192 D194 S197 Y201C173-S199 VanDerWaalsContact SG-C 3.57Å; C191-S199 CarbonylContact C-O 3.6Å; C191-S199 WeakPolarHBondContact CA-O 3.4Å; A192-S199 PolarHBondContact N-O 2.8Å; A192-S199 PolarHBondContact O-N 2.91Å; A192-S199 PolarHBondContact O-OG 2.61Å; D194-S199 WeakPolarHBondContact CB-OG 3.37Å; S197-S199 PolarHBondContact O-N 2.9Å; S199-Y201 PolarHBondContact O-N 3.48Å
200R92.9Very high81.9Confident88 Ų8873.4 Ų73.433%0.33236%0.36SS..EExtended strand (participates in β ladder)trans-59.4131.2178.8-171.5-164.3166.588.314.4111.3Q155 H171 Y190Q155-R200 VanDerWaalsContact CD-CZ 3.47Å; H171-R200 PolarHBondContact CD2-NH1 2.86Å; H171-R200 PolarHBondContact NE2-NH1 3.24Å; Y190-R200 CarbonylContact O-C 3.59Å; Y190-R200 WeakPolarHBondContact O-CA 3.48Å
201Y91.4Very high81.6Confident43 Ų4377.4 Ų77.417%0.16938%0.375CS..  trans-61.2137171.9179.3-103.9000111.2R97 A98 A99 Y190 A192 S199R97-Y201 WeakPolarHBondContact O-CD1 3.15Å; R97-Y201 WeakPolarHBondContact O-CE1 3.29Å; A98-Y201 VanDerWaalsContact C-OH 3.28Å; A98-Y201 PolarHBondContact O-OH 3.21Å; A98-Y201 VanDerWaalsContact O-OH 3.05Å; A99-Y201 WeakPolarHBondContact CA-OH 2.94Å; A99-Y201 HydrophobicContact CB-CE2 4.05Å; A99-Y201 PolarHBondContact N-OH 2.71Å; Y190-Y201 PolarHBondContact O-N 3.23Å; A192-Y201 HydrophobicContact CB-CD2 3.95Å; S199-Y201 PolarHBondContact O-N 3.48Å
202S86.3Confident81.5Confident59 Ų5978.1 Ų78.141%0.41338%0.378SS..  trans-144.6134.8176.41730000108.3S204 R210S202-S204 PolarHBondContact O-N 2.78Å; S202-R210 VanDerWaalsContact O-CZ 3.22Å; S202-R210 PolarHBondContact O-NH1 2.82Å
203A78.2Confident81.4Confident78 Ų7878.8 Ų78.865%0.64538%0.381SS*.  trans-74.511.5-177.800000114.3Q205A203-Q205 PolarHBondContact O-N 3.07Å
204S72Confident81.5Confident66 Ų6678.1 Ų78.146%0.46238%0.379SS..  trans-62.8132-176.6-178.90000112.8S202 K206 R210S202-S204 PolarHBondContact O-N 2.78Å; S204-K206 VanDerWaalsContact C-N 3.26Å; S204-K206 PolarHBondContact O-N 2.76Å; S204-R210 PolarHBondContact O-NH1 3.18Å
205Q59.3Low81.6Confident195 Ų19580.1 Ų80.191%0.91139%0.386SS*.THydrogen-bonded Turntrans-70.4-8.4-174.2-68177.4-21.200115.1A203A203-Q205 PolarHBondContact O-N 3.07Å
206K59.5Low81.8Confident192 Ų19285.8 Ų85.884%0.83540%0.4SS*.THydrogen-bonded Turntrans-90.88.3-165.9-75.1-168177.5-177.10117.1S204S204-K206 VanDerWaalsContact C-N 3.26Å; S204-K206 PolarHBondContact O-N 2.76Å
207R61.7Low82.1Confident150 Ų15077.4 Ų77.457%0.56637%0.365SS*.  trans-133.8104.4-178.1-65.7-158.8178.4-163.51.9114.2S209 R210R207-S209 PolarHBondContact O-N 3.14Å; R207-R210 PolarHBondContact O-N 2.02Å
208R65.3Low82Confident247 Ų24777.7 Ų77.793%0.93236%0.363SS*.THydrogen-bonded Turntrans-64.6-8.6170.1-65-176.6-177.1-174.50.9113.7R211R208-R211 PolarHBondContact O-NH2 2.67Å
209S66.8Low81.9Confident26 Ų2677.4 Ų77.418%0.18236%0.361CS..THydrogen-bonded Turntrans-91.9-7.2-17956.50000114.6D194 R207 Y226D194-S209 PolarHBondContact O-OG 2.78Å; R207-S209 PolarHBondContact O-N 3.14Å; S209-Y226 VanDerWaalsContact CB-OH 3.29Å; S209-Y226 WeakPolarHBondContact CB-OH 3.47Å
210R83.3Confident81.5Confident55 Ų5580.2 Ų80.221%0.20837%0.373CS..  trans-75.5131.8-174.7-169.8175.4-74.8124.9-3.6111.7A192 W193 S202 S204 R207A192-R210 HydrophobicContact CB-CG 3.82Å; W193-R210 CarbonylContact O-C 3.49Å; W193-R210 WeakPolarHBondContact O-CA 3.29Å; W193-R210 WeakPolarHBondContact O-CG 3.29Å; S202-R210 VanDerWaalsContact O-CZ 3.22Å; S202-R210 PolarHBondContact O-NH1 2.82Å; S204-R210 PolarHBondContact O-NH1 3.18Å; R207-R210 PolarHBondContact O-N 2.02Å
211R88.8Confident81.1Confident89 Ų8985.2 Ų85.234%0.33639%0.391SS..BIsolated β-bridgetrans-130.6128.4-179.9-53.9-65177.8-154.3-2.2110.9W193 R208 Q222W193-R211 HydrophobicContact CB-CB 4.18Å; W193-R211 PolarHBondContact N-O 2.84Å; W193-R211 PolarHBondContact O-N 3.11Å; R208-R211 PolarHBondContact O-NH2 2.67Å; R211-Q222 HydrophobicContact CB-CB 4.25Å; R211-Q222 WeakPolarHBondContact CD-O 3.36Å; R211-Q222 WeakPolarHBondContact CG-O 3.42Å; R211-Q222 PolarHBondContact NE-O 2.79Å
212Q92.2Very high80.9Confident18 Ų1885.4 Ų85.48%0.08439%0.394CS..  trans-152.9139.3175.7-171.2-176.741.500108A99 D188 P189 C191 A192 V214A99-Q212 HydrophobicContact CB-CB 4.07Å; D188-Q212 PolarHBondContact O-NE2 3.16Å; P189-Q212 VanDerWaalsContact C-NE2 3.32Å; P189-Q212 PolarHBondContact O-NE2 3.18Å; C191-Q212 WeakPolarHBondContact O-CG 3.46Å; C191-Q212 PolarHBondContact O-NE2 2.89Å; A192-Q212 HydrophobicContact CB-CB 3.92Å; A192-Q212 HydrophobicContact CB-CG 4.38Å; Q212-V214 HydrophobicContact CG-CG2 4.05Å
213D91.5Very high80.9Confident15 Ų1582.6 Ų82.68%0.0837%0.374CS..  trans-148.284.8176.6-179.72.1000108Y216 G217 N218 Q222D213-Y216 WeakPolarHBondContact OD1-CB 3.15Å; D213-Y216 PolarHBondContact OD1-N 3.11Å; D213-G217 VanDerWaalsContact CG-N 3.29Å; D213-G217 WeakPolarHBondContact O-CA 3.36Å; D213-G217 PolarHBondContact O-N 2.62Å; D213-G217 PolarHBondContact OD1-N 2.89Å; D213-G217 PolarHBondContact OD2-N 2.98Å; D213-N218 PolarHBondContact OD2-N 2.81Å; D213-Q222 HydrophobicContact CB-CG 3.72Å
214V93.4Very high80.9Confident0 Ų088 Ų880%038%0.378CS..THydrogen-bonded Turntrans-69.9-46-178.6174.30000109.4A98 Y103 I119 L121 R187 P189 Q212A98-V214 HydrophobicContact CB-CG2 3.99Å; Y103-V214 HydrophobicContact CD1-CG1 3.87Å; Y103-V214 HydrophobicContact CD2-CG1 4.16Å; Y103-V214 HydrophobicContact CE1-CB 4.28Å; Y103-V214 HydrophobicContact CE1-CG1 3.54Å; Y103-V214 HydrophobicContact CE2-CB 3.91Å; Y103-V214 HydrophobicContact CE2-CG1 3.86Å; Y103-V214 HydrophobicContact CE2-CG2 4.19Å; Y103-V214 HydrophobicContact CG-CG1 4.17Å; I119-V214 HydrophobicContact CD1-CG1 3.71Å; L121-V214 HydrophobicContact CD2-CG1 4.35Å; R187-V214 PolarHBondContact NE-O 3.43Å; R187-V214 WeakPolarHBondContact O-CG1 3.39Å; P189-V214 HydrophobicContact CB-CG2 4.27Å; P189-V214 HydrophobicContact CG-CG1 3.98Å; P189-V214 HydrophobicContact CG-CG2 4.2Å; Q212-V214 HydrophobicContact CG-CG2 4.05Å
215K90.4Very high80.8Confident72 Ų7287.9 Ų87.931%0.31339%0.387SS..THydrogen-bonded Turntrans-64-45.5-174.3-171.6173.4179.1-169.40113.1D100 R187D100-K215 PolarHBondContact OD2-N 2.6Å; R187-K215 PolarHBondContact NH2-O 3.34Å
216Y88.8Confident81.2Confident143 Ų14382.1 Ų82.156%0.56136%0.358SS*.THydrogen-bonded Turntrans-112.1-27.4-173.2-56-75.8000113.7D213D213-Y216 WeakPolarHBondContact OD1-CB 3.15Å; D213-Y216 PolarHBondContact OD1-N 3.11Å
217G89.2Confident81.1Confident4 Ų475.1 Ų75.14%0.04133%0.329CS..  trans57.256-177.400000112.2D213 P219D213-G217 VanDerWaalsContact CG-N 3.29Å; D213-G217 WeakPolarHBondContact O-CA 3.36Å; D213-G217 PolarHBondContact O-N 2.62Å; D213-G217 PolarHBondContact OD1-N 2.89Å; D213-G217 PolarHBondContact OD2-N 2.98Å; G217-P219 WeakPolarHBondContact O-CD 3.2Å
218N88.4Confident80.6Confident53 Ų5371.6 Ų71.628%0.28333%0.328SS..  trans-107.495.2-175.2-172-21.6000113.7D213 I220 R221 Q222D213-N218 PolarHBondContact OD2-N 2.81Å; N218-I220 VanDerWaalsContact C-N 3.26Å; N218-I220 PolarHBondContact O-N 2.89Å; N218-I220 WeakPolarHBondContact OD1-CB 3.48Å; N218-I220 PolarHBondContact OD1-N 2.9Å; N218-R221 PolarHBondContact O-N 3.21Å; N218-R221 PolarHBondContact OD1-N 3.17Å; N218-Q222 WeakPolarHBondContact O-CB 3.44Å; N218-Q222 WeakPolarHBondContact O-CG 3.2Å; N218-Q222 PolarHBondContact O-N 2.98Å; N218-Q222 VanDerWaalsContact O-N 3.11Å
219P87.4Confident79.8Confident2 Ų265.1 Ų65.11%0.01331%0.312CS..Hα-helixtrans-60.6-28.9177.3-26.233.7000114.8A181 C184 L185 G217 R221 Q222 C223 F310A181-P219 HydrophobicContact CB-CB 3.93Å; A181-P219 HydrophobicContact CB-CG 4.25Å; C184-P219 HydrophobicContact CB-CG 4.24Å; L185-P219 HydrophobicContact CD1-CG 4.26Å; L185-P219 HydrophobicContact CD2-CG 3.8Å; L185-P219 HydrophobicContact CG-CG 3.68Å; G217-P219 WeakPolarHBondContact O-CD 3.2Å; P219-R221 VanDerWaalsContact C-N 3.29Å; P219-R221 PolarHBondContact O-N 2.86Å; P219-Q222 PolarHBondContact O-N 2.81Å; P219-C223 WeakPolarHBondContact O-CA 3.21Å; P219-C223 VanDerWaalsContact O-CB 3.28Å; P219-C223 WeakPolarHBondContact O-CB 3.46Å; P219-C223 PolarHBondContact O-N 2.9Å; P219-F310 HydrophobicContact CB-CD1 4.4Å; P219-F310 HydrophobicContact CB-CD2 3.85Å; P219-F310 HydrophobicContact CB-CE1 4.28Å; P219-F310 HydrophobicContact CB-CE2 3.73Å; P219-F310 HydrophobicContact CB-CG 4.18Å; P219-F310 HydrophobicContact CB-CZ 3.94Å; P219-F310 HydrophobicContact CG-CD1 4.08Å; P219-F310 HydrophobicContact CG-CD2 4.16Å; P219-F310 HydrophobicContact CG-CE1 4.31Å; P219-F310 HydrophobicContact CG-CE2 4.4Å; P219-F310 HydrophobicContact CG-CG 3.98Å; P219-F310 HydrophobicContact CG-CZ 4.46Å
220I85Confident79.1Confident90 Ų9065.8 Ų65.846%0.46232%0.319SS..Hα-helixtrans-67.2-34-175.6-58175.3000110.9N218 R224 F310N218-I220 VanDerWaalsContact C-N 3.26Å; N218-I220 PolarHBondContact O-N 2.89Å; N218-I220 WeakPolarHBondContact OD1-CB 3.48Å; N218-I220 PolarHBondContact OD1-N 2.9Å; I220-R224 WeakPolarHBondContact O-CG 3.4Å; I220-R224 PolarHBondContact O-NE 3.14Å; I220-F310 HydrophobicContact CD1-CD2 4.44Å; I220-F310 HydrophobicContact CG1-CD2 3.82Å; I220-F310 HydrophobicContact CG1-CE2 4.34Å
221R85.1Confident77.5Confident192 Ų19268.6 Ų68.673%0.72534%0.338SS*.Hα-helixtrans-86.6-43.1175.5-70.8-171.4178.1-121.42.7111.5N218 P219N218-R221 PolarHBondContact O-N 3.21Å; N218-R221 PolarHBondContact OD1-N 3.17Å; P219-R221 VanDerWaalsContact C-N 3.29Å; P219-R221 PolarHBondContact O-N 2.86Å
222Q86.4Confident75.7Confident48 Ų4872.3 Ų72.322%0.22436%0.356CS..Hα-helixtrans-78-37.3-171.8-65.4-59.8-19.200113.6R211 D213 N218 P219R211-Q222 HydrophobicContact CB-CB 4.25Å; R211-Q222 WeakPolarHBondContact CD-O 3.36Å; R211-Q222 WeakPolarHBondContact CG-O 3.42Å; R211-Q222 PolarHBondContact NE-O 2.79Å; D213-Q222 HydrophobicContact CB-CG 3.72Å; N218-Q222 WeakPolarHBondContact O-CB 3.44Å; N218-Q222 WeakPolarHBondContact O-CG 3.2Å; N218-Q222 PolarHBondContact O-N 2.98Å; N218-Q222 VanDerWaalsContact O-N 3.11Å; P219-Q222 PolarHBondContact O-N 2.81Å
223C85.3Confident73.7Confident0 Ų078 Ų780%039%0.388CS..THydrogen-bonded Turntrans-104.921.6-169.1-62.50000114.5C180 P219 G225 Y226 N227C180-C223 HydrophobicContact CB-CB 3.68Å; C180-C223 WeakPolarHBondContact CB-SG 3.5Å; C180-C223 PolarHBondContact O-SG 2.85Å; C180-C223 VanDerWaalsContact SG-CA 3.52Å; C180-C223 WeakPolarHBondContact SG-CB 3.47Å; C180-C223 CovalentContact SG-SG 2.04Å; C180-C223 PolarHBondContact SG-SG 3.49Å; P219-C223 WeakPolarHBondContact O-CA 3.21Å; P219-C223 VanDerWaalsContact O-CB 3.28Å; P219-C223 WeakPolarHBondContact O-CB 3.46Å; P219-C223 PolarHBondContact O-N 2.9Å; C223-G225 PolarHBondContact O-N 2.9Å; C223-G225 VanDerWaalsContact O-N 3.16Å; C223-Y226 PolarHBondContact O-N 3.07Å; C223-N227 VanDerWaalsContact CB-OD1 3.28Å; C223-N227 WeakPolarHBondContact CB-OD1 3.48Å; C223-N227 PolarHBondContact O-N 3.23Å
224R79.3Confident72.1Confident190 Ų19078.9 Ų78.972%0.71739%0.394SS*.THydrogen-bonded Turntrans-57122174.7-68.7-167.6176.5-162.8-0.8110.1I220I220-R224 WeakPolarHBondContact O-CG 3.4Å; I220-R224 PolarHBondContact O-NE 3.14Å
225G69.5Low70.3Confident64 Ų6485.5 Ų85.566%0.6643%0.428SS*.THydrogen-bonded Turntrans89-12.3-178.200000115.7C223C223-G225 PolarHBondContact O-N 2.9Å; C223-G225 VanDerWaalsContact O-N 3.16Å
226Y67.6Low69.3Low75 Ų7588.2 Ų88.229%0.29444%0.442SS..THydrogen-bonded Turntrans-100.9-21.7175.9-66.7-82.5000112.8W193 G195 S209 C223 S228W193-Y226 HydrophobicContact CZ2-CD1 4.5Å; W193-Y226 AromaticContact NE1-CD1 3.45Å; W193-Y226 AromaticContact NE1-CE1 3.85Å; W193-Y226 AromaticContact NE1-CG 3.72Å; G195-Y226 WeakPolarHBondContact O-CE1 3.3Å; S209-Y226 VanDerWaalsContact CB-OH 3.29Å; S209-Y226 WeakPolarHBondContact CB-OH 3.47Å; C223-Y226 PolarHBondContact O-N 3.07Å; Y226-S228 PolarHBondContact O-N 2.89Å
227N58.3Low68.9Low44 Ų4484.2 Ų84.224%0.23543%0.432CS..THydrogen-bonded Turntrans-71.1-9.2176.5-66.6-18.8000113.8C223 N229C223-N227 VanDerWaalsContact CB-OD1 3.28Å; C223-N227 WeakPolarHBondContact CB-OD1 3.48Å; C223-N227 PolarHBondContact O-N 3.23Å; N227-N229 VanDerWaalsContact C-N 3.3Å; N227-N229 PolarHBondContact O-N 2.81Å
228S50.4Low68.9Low76 Ų7687.6 Ų87.653%0.53145%0.452SS..THydrogen-bonded Turntrans-73.3-18.6-176.7-58.60000114.1Y226Y226-S228 PolarHBondContact O-N 2.89Å
229N49.4Very low69Low111 Ų11187.8 Ų87.859%0.59445%0.451SS*.THydrogen-bonded Turntrans-98.2-23-179.4-66.9-10.8000113.3N227 N231 K232 N233N227-N229 VanDerWaalsContact C-N 3.3Å; N227-N229 PolarHBondContact O-N 2.81Å; N229-N231 VanDerWaalsContact C-N 3.32Å; N229-N231 PolarHBondContact O-N 2.89Å; N229-K232 PolarHBondContact O-N 3.02Å; N229-K232 VanDerWaalsContact O-N 3.17Å; N229-N233 PolarHBondContact O-N 3.35Å
230A50.6Low69.2Low40 Ų4094.8 Ų94.833%0.33148%0.479SS..G310 helixtrans-63.8-38.7174.800000111.4A179 K232 N233 T234A179-A230 HydrophobicContact CB-CB 4.27Å; A230-K232 PolarHBondContact O-N 3.27Å; A230-N233 PolarHBondContact O-N 2.98Å; A230-T234 PolarHBondContact O-N 3.06Å
231N51.2Low69.5Low114 Ų11490.7 Ų90.761%0.6146%0.458SS*.G310 helixtrans-72.9-10.5176-76.8-12.1000114.5N229N229-N231 VanDerWaalsContact C-N 3.32Å; N229-N231 PolarHBondContact O-N 2.89Å
232K50.5Low69.9Low167 Ų16784.1 Ų84.173%0.72644%0.439SS*.G310 helixtrans-93.7-22.3178.2-73.8-174.1175-175.90113N229 A230N229-K232 PolarHBondContact O-N 3.02Å; N229-K232 VanDerWaalsContact O-N 3.17Å; A230-K232 PolarHBondContact O-N 3.27Å
233N50Low70.1Confident139 Ų13985.4 Ų85.474%0.74345%0.445SS*.  trans-125.220.2-174.6-71.5-1.4000113.9N229 A230 L235N229-N233 PolarHBondContact O-N 3.35Å; A230-N233 PolarHBondContact O-N 2.98Å; N233-L235 VanDerWaalsContact C-N 3.26Å; N233-L235 PolarHBondContact O-N 3.17Å
234T57.4Low70.3Confident33 Ų3387.8 Ų87.820%0.20247%0.47CS..SBendtrans-65.793.7164.138.30000107.6A230 E236 T313A230-T234 PolarHBondContact O-N 3.06Å; T234-E236 PolarHBondContact O-N 3.05Å; T234-T313 WeakPolarHBondContact CG2-O 3.36Å
235L55.7Low70.9Confident139 Ų13980.8 Ų80.873%0.72845%0.45SS*.  trans-21.4112.4176.9-84.2148.6000112.6N233 T237N233-L235 VanDerWaalsContact C-N 3.26Å; N233-L235 PolarHBondContact O-N 3.17Å; L235-T237 VanDerWaalsContact C-N 3.29Å; L235-T237 HydrophobicContact CB-CG2 4.37Å; L235-T237 PolarHBondContact O-N 3.11Å; L235-T237 VanDerWaalsContact O-N 3.1Å
236E70.4Confident72.1Confident128 Ų12881.9 Ų81.960%0.59844%0.444SS*.EExtended strand (participates in β ladder)trans-83.677.2175.2-158.6163.5-13000107.9T234 K316T234-E236 PolarHBondContact O-N 3.05Å; E236-K316 WeakPolarHBondContact CA-O 3.01Å; E236-K316 IonicContact OE1-NZ 3Å; E236-K316 PolarHBondContact OE1-NZ 3.39Å
237T80.3Confident73.3Confident59 Ų5979 Ų7936%0.36243%0.434SS..EExtended strand (participates in β ladder)trans-75.4126177.650.60000109L235 K316 L317 Q318L235-T237 VanDerWaalsContact C-N 3.29Å; L235-T237 HydrophobicContact CB-CG2 4.37Å; L235-T237 PolarHBondContact O-N 3.11Å; L235-T237 VanDerWaalsContact O-N 3.1Å; T237-K316 PolarHBondContact N-O 3.5Å; T237-L317 CarbonylContact O-C 3.59Å; T237-L317 WeakPolarHBondContact O-CA 3.29Å; T237-Q318 PolarHBondContact O-N 2.85Å
238V88.3Confident75Confident75 Ų7580.4 Ų80.446%0.45544%0.438SS..EExtended strand (participates in β ladder)trans-92.7125170.4-1740000108Y240 Q318 V320V238-Y240 HydrophobicContact CB-CE2 4.46Å; V238-Y240 HydrophobicContact CG1-CD2 4.35Å; V238-Y240 HydrophobicContact CG1-CE1 4.47Å; V238-Y240 HydrophobicContact CG1-CE2 3.72Å; V238-Q318 WeakPolarHBondContact CA-O 3.46Å; V238-Q318 HydrophobicContact CG1-CG 4.47Å; V238-Q318 HydrophobicContact CG2-CB 4.3Å; V238-V320 HydrophobicContact CG1-CG2 3.98Å
239Q91.6Very high77Confident58 Ų5876.8 Ų76.827%0.27141%0.413SS..EExtended strand (participates in β ladder)trans-116.3131.2174.5-166.8170.3-4.500109F248 L317 Q318 L319 V320Q239-F248 PolarHBondContact NE2-O 3.35Å; Q239-F248 PolarHBondContact OE1-O 3.39Å; Q239-L317 HydrophobicContact CB-CD1 4.36Å; Q239-L317 HydrophobicContact CB-CD2 3.96Å; Q239-L317 HydrophobicContact CB-CG 4.37Å; Q239-Q318 PolarHBondContact N-O 3.39Å; Q239-L319 WeakPolarHBondContact O-CA 3.44Å; Q239-V320 PolarHBondContact O-N 3.49Å
240Y91.1Very high79Confident149 Ų14977.4 Ų77.458%0.58441%0.412SS*.EExtended strand (participates in β ladder)trans-99.7134.3176.5-64.3-90.3000109.5V238 V320 L322V238-Y240 HydrophobicContact CB-CE2 4.46Å; V238-Y240 HydrophobicContact CG1-CD2 4.35Å; V238-Y240 HydrophobicContact CG1-CE1 4.47Å; V238-Y240 HydrophobicContact CG1-CE2 3.72Å; Y240-V320 WeakPolarHBondContact CA-O 3.42Å; Y240-V320 HydrophobicContact CD1-CB 3.76Å; Y240-V320 HydrophobicContact CD1-CG1 3.96Å; Y240-V320 HydrophobicContact CE1-CB 3.9Å; Y240-V320 HydrophobicContact CE1-CG1 3.96Å; Y240-V320 HydrophobicContact CE1-CG2 4.21Å; Y240-L322 HydrophobicContact CD1-CD1 4.35Å; Y240-L322 HydrophobicContact CD1-CD2 4.44Å; Y240-L322 HydrophobicContact CD1-CG 4.43Å
241G91.8Very high80.9Confident3 Ų375.6 Ų75.63%0.03140%0.397CS..EExtended strand (participates in β ladder)trans-129.9144.9174.400000110.3V320 V321 L322G241-V320 PolarHBondContact N-O 3.33Å; G241-V321 CarbonylContact O-C 3.53Å; G241-V321 WeakPolarHBondContact O-CA 3.26Å; G241-L322 PolarHBondContact O-N 3.17Å
242V92.1Very high82.4Confident54 Ų5475.8 Ų75.833%0.32740%0.395SS..EExtended strand (participates in β ladder)trans-93.2140.2175.6-177.10000109.1G244 S245 V327V242-G244 PolarHBondContact O-N 3.02Å; V242-S245 PolarHBondContact N-OG 3.47Å; V242-S245 VanDerWaalsContact O-CB 3.32Å; V242-S245 WeakPolarHBondContact O-CB 3.46Å; V242-S245 PolarHBondContact O-N 2.91Å; V242-S245 PolarHBondContact O-OG 3.37Å; V242-V327 HydrophobicContact CG1-CG2 3.95Å; V242-V327 HydrophobicContact CG2-CG2 3.95Å
243E92.2Very high83.9Confident75 Ų7569 Ų6935%0.3537%0.37SS..THydrogen-bonded Turntrans-52.4133.4174.7-171.1165.5-131.800111.6S245 S295 V321 L322E243-S245 VanDerWaalsContact C-N 3.25Å; E243-S245 PolarHBondContact O-N 2.85Å; E243-S295 PolarHBondContact OE1-OG 3.29Å; E243-V321 HydrophobicContact CB-CG1 4.4Å; E243-L322 PolarHBondContact N-O 2.85Å
244G88.9Confident85.2Confident50 Ų5070.8 Ų70.852%0.51537%0.366SS..THydrogen-bonded Turntrans82.2-15.6-174.900000115.5V242 L293V242-G244 PolarHBondContact O-N 3.02Å; G244-L293 PolarHBondContact N-O 3.22Å
245S92.1Very high86.2Confident43 Ų4370.6 Ų70.630%0.30137%0.366SS..SBendtrans-80160.7176.473.70000112.7V242 E243 S292 L293V242-S245 PolarHBondContact N-OG 3.47Å; V242-S245 VanDerWaalsContact O-CB 3.32Å; V242-S245 WeakPolarHBondContact O-CB 3.46Å; V242-S245 PolarHBondContact O-N 2.91Å; V242-S245 PolarHBondContact O-OG 3.37Å; E243-S245 VanDerWaalsContact C-N 3.25Å; E243-S245 PolarHBondContact O-N 2.85Å; S245-S292 CarbonylContact O-C 3.6Å; S245-S292 WeakPolarHBondContact O-CA 3.34Å; S245-L293 PolarHBondContact O-N 3.25Å
246T93.4Very high87.2Confident87 Ų8769.6 Ų69.653%0.53437%0.368SS..  trans-86.2140.5171.5-55.80000110.3L289 I290 R291T246-L289 HydrophobicContact CG2-CD1 3.56Å; T246-L289 HydrophobicContact CG2-CG 4.44Å; T246-I290 CarbonylContact C-O 3.53Å; T246-I290 WeakPolarHBondContact CA-O 3.49Å; T246-I290 WeakPolarHBondContact CG2-O 3.31Å; T246-R291 WeakPolarHBondContact CA-O 3.33Å; T246-R291 PolarHBondContact OG1-O 2.8Å
247T93.4Very high87.6Confident14 Ų1469 Ų699%0.08637%0.365CS..EExtended strand (participates in β ladder)trans-136.3140.6175.4-87.40000110.9L249 I290 L293 L319T247-L249 HydrophobicContact CG2-CD2 3.57Å; T247-L249 HydrophobicContact CG2-CG 4.4Å; T247-I290 PolarHBondContact N-O 3Å; T247-I290 PolarHBondContact O-N 3.38Å; T247-L293 WeakPolarHBondContact OG1-CD1 3.38Å; T247-L319 HydrophobicContact CG2-CD1 4.15Å
248F94Very high87.8Confident74 Ų7467.5 Ų67.533%0.32536%0.355SS..EExtended strand (participates in β ladder)trans-114.1125.4174.8-176-109.1000109.5Q239 E250 T284 Q286 L288 L289Q239-F248 PolarHBondContact NE2-O 3.35Å; Q239-F248 PolarHBondContact OE1-O 3.39Å; F248-E250 HydrophobicContact CD1-CB 4.42Å; F248-E250 HydrophobicContact CE1-CB 4.11Å; F248-E250 HydrophobicContact CE1-CG 4.32Å; F248-T284 WeakPolarHBondContact CE2-OG1 3.38Å; F248-Q286 HydrophobicContact CZ-CB 3.99Å; F248-Q286 WeakPolarHBondContact CZ-O 3.5Å; F248-L288 WeakPolarHBondContact CA-O 3.36Å; F248-L289 HydrophobicContact CB-CD1 4.19Å; F248-L289 HydrophobicContact CD2-CB 3.98Å; F248-L289 HydrophobicContact CD2-CD1 4.19Å
249L93.3Very high87.8Confident0 Ų066.9 Ų66.90%035%0.354CS..EExtended strand (participates in β ladder)trans-100.6106.9175.4-48.8-175.6000108T247 W262 G287 L288 I290 Y301 L317 L319T247-L249 HydrophobicContact CG2-CD2 3.57Å; T247-L249 HydrophobicContact CG2-CG 4.4Å; L249-W262 HydrophobicContact CB-CH2 3.82Å; L249-W262 HydrophobicContact CB-CZ2 4.4Å; L249-W262 HydrophobicContact CB-CZ3 4.32Å; L249-W262 HydrophobicContact CD1-CZ3 4.5Å; L249-W262 WeakPolarHBondContact O-CZ2 3.47Å; L249-G287 CarbonylContact O-C 3.59Å; L249-G287 WeakPolarHBondContact O-CA 3.31Å; L249-L288 HydrophobicContact CB-CB 4.23Å; L249-L288 HydrophobicContact CD1-CD2 4.17Å; L249-L288 PolarHBondContact N-O 2.82Å; L249-L288 PolarHBondContact O-N 3.29Å; L249-I290 HydrophobicContact CD1-CD1 4.27Å; L249-Y301 HydrophobicContact CD1-CD1 3.42Å; L249-Y301 VanDerWaalsContact CD1-CD1 3.42Å; L249-Y301 HydrophobicContact CD1-CD2 3.92Å; L249-Y301 HydrophobicContact CD1-CE1 3.73Å; L249-Y301 HydrophobicContact CD1-CE2 4.23Å; L249-Y301 HydrophobicContact CD1-CG 3.52Å; L249-L317 HydrophobicContact CD1-CD2 4.31Å; L249-L317 HydrophobicContact CD2-CD1 4.27Å; L249-L317 HydrophobicContact CD2-CD2 3.68Å; L249-L317 HydrophobicContact CG-CD2 4.49Å; L249-L319 HydrophobicContact CD2-CD1 4.39Å
250E91.3Very high87.6Confident124 Ų12466.3 Ų66.358%0.57935%0.353SS*.EExtended strand (participates in β ladder)trans-72.8133.4-175.9-168.4175.7176.200111.4F248F248-E250 HydrophobicContact CD1-CB 4.42Å; F248-E250 HydrophobicContact CE1-CB 4.11Å; F248-E250 HydrophobicContact CE1-CG 4.32Å
251C89.1Confident87.6Confident2 Ų262.8 Ų62.81%0.01434%0.34CS..  trans-155103.7168.5179.90000109.2W262 Q286 C303C251-W262 HydrophobicContact CB-CH2 3.73Å; C251-W262 HydrophobicContact CB-CZ2 3.28Å; C251-Q286 CarbonylContact C-O 3.57Å; C251-Q286 PolarHBondContact N-O 2.88Å; C251-Q286 CarbonylContact O-C 3.59Å; C251-Q286 VanDerWaalsContact O-C 3.24Å; C251-C303 HydrophobicContact CB-CB 3.63Å; C251-C303 WeakPolarHBondContact CB-SG 3.45Å; C251-C303 WeakPolarHBondContact SG-CB 3.49Å; C251-C303 CovalentContact SG-SG 2.02Å; C251-C303 PolarHBondContact SG-SG 2.86Å
252Q83.6Confident87.6Confident119 Ų11962.8 Ų62.856%0.55634%0.34SS*.  trans-105126.1179.3-169.6176.518.900110.4Q286Q252-Q286 VanDerWaalsContact CG-OE1 3.3Å
253A81.4Confident87.7Confident24 Ų2462 Ų6220%0.19833%0.332CS..  trans-79.9139.416800000110.2V258 L260 L314A253-V258 HydrophobicContact CB-CB 3.93Å; A253-V258 HydrophobicContact CB-CG1 3.89Å; A253-V258 HydrophobicContact CB-CG2 4.42Å; A253-L260 HydrophobicContact CB-CD1 4.41Å; A253-L260 HydrophobicContact CB-CD2 4.1Å; A253-L260 HydrophobicContact CB-CG 4.41Å; A253-L314 HydrophobicContact CB-CD1 4.34Å
254R78.9Confident87.6Confident177 Ų17759.5 Ų59.567%0.66832%0.321SS*.SBendtrans-74.8-36.1174.1-64-174.9-177.7-142.11.5112.7V175 Y176V175-R254 PolarHBondContact O-NH1 2.84Å; Y176-R254 WeakPolarHBondContact O-CD 3.19Å
255S77.8Confident87.7Confident29 Ų2958.5 Ų58.520%0.20330%0.303CS..SBendtrans-89.8130.3177.4171.40000110H257 V258 E307S255-H257 PolarHBondContact O-N 2.9Å; S255-H257 PolarHBondContact OG-N 2.96Å; S255-V258 PolarHBondContact O-N 3.18Å; S255-E307 PolarHBondContact OG-OE1 2.73Å
256P77.3Confident87.5Confident118 Ų11860.7 Ų60.777%0.76631%0.307SS*.THydrogen-bonded Turntrans-71.5-11.1175.630.7-35.3000112.7V258P256-V258 VanDerWaalsContact C-N 3.31Å
257H78.3Confident86.8Confident116 Ų11664.6 Ų64.654%0.53732%0.319SS..THydrogen-bonded Turntrans-89.63.7-179.1-49.7109.1000113.2S255S255-H257 PolarHBondContact O-N 2.9Å; S255-H257 PolarHBondContact OG-N 2.96Å
258V84.6Confident86Confident27 Ų2771.7 Ų71.716%0.16436%0.357CS..PPolyproline II helixtrans-87.1140.3-176.4167.50000111.2A253 S255 P256 L260 E307A253-V258 HydrophobicContact CB-CB 3.93Å; A253-V258 HydrophobicContact CB-CG1 3.89Å; A253-V258 HydrophobicContact CB-CG2 4.42Å; S255-V258 PolarHBondContact O-N 3.18Å; P256-V258 VanDerWaalsContact C-N 3.31Å; V258-L260 HydrophobicContact CG1-CD2 3.97Å; V258-L260 HydrophobicContact CG1-CG 4.44Å; V258-E307 HydrophobicContact CG2-CB 3.93Å; V258-E307 HydrophobicContact CG2-CG 4.32Å; V258-E307 WeakPolarHBondContact CG2-OE2 3.4Å
259S86.8Confident85.3Confident62 Ų6270.5 Ų70.543%0.43436%0.358SS..EExtended strand (participates in β ladder)trans-97.5127.3164.958.30000111.1S305 T306S259-S305 WeakPolarHBondContact O-CA 3.36Å; S259-T306 PolarHBondContact N-O 2.87Å; S259-T306 PolarHBondContact O-N 2.83Å; S259-T306 WeakPolarHBondContact OG-CB 3.17Å; S259-T306 PolarHBondContact OG-O 2.95Å; S259-T306 VanDerWaalsContact OG-O 3.1Å
260L89.3Confident84.5Confident45 Ų4577.7 Ų77.724%0.23640%0.396CS..EExtended strand (participates in β ladder)trans-95.7135.1179.6-67.3-179.6000111.7A253 V258 T304 L314A253-L260 HydrophobicContact CB-CD1 4.41Å; A253-L260 HydrophobicContact CB-CD2 4.1Å; A253-L260 HydrophobicContact CB-CG 4.41Å; V258-L260 HydrophobicContact CG1-CD2 3.97Å; V258-L260 HydrophobicContact CG1-CG 4.44Å; L260-T304 CarbonylContact C-O 3.59Å; L260-T304 WeakPolarHBondContact CA-O 3.37Å; L260-L314 HydrophobicContact CD2-CD1 3.52Å
261K90.5Very high84.2Confident75 Ų7581.2 Ų81.233%0.32640%0.404SS..EExtended strand (participates in β ladder)trans-131.8134.9174.6-73.8-174.3169.7-121.10111.3E274 T304K261-E274 IonicContact NZ-OE1 3.57Å; K261-E274 PolarHBondContact NZ-OE1 3.28Å; K261-E274 IonicContact NZ-OE2 2.97Å; K261-T304 PolarHBondContact N-O 2.9Å; K261-T304 PolarHBondContact O-N 3.16Å; K261-T304 PolarHBondContact O-OG1 2.84Å
262W92.4Very high84Confident4 Ų487.6 Ų87.62%0.01543%0.428CS..EExtended strand (participates in β ladder)trans-104.6134.3177.8-74.794.3000111.7L249 C251 I275 L288 Y301 H302 C303L249-W262 HydrophobicContact CB-CH2 3.82Å; L249-W262 HydrophobicContact CB-CZ2 4.4Å; L249-W262 HydrophobicContact CB-CZ3 4.32Å; L249-W262 HydrophobicContact CD1-CZ3 4.5Å; L249-W262 WeakPolarHBondContact O-CZ2 3.47Å; C251-W262 HydrophobicContact CB-CH2 3.73Å; C251-W262 HydrophobicContact CB-CZ2 3.28Å; W262-I275 HydrophobicContact CB-CB 4.2Å; W262-I275 HydrophobicContact CB-CD1 4.02Å; W262-I275 HydrophobicContact CB-CG1 4.3Å; W262-I275 PolarHBondContact O-N 3.27Å; W262-L288 HydrophobicContact CD2-CB 4.07Å; W262-L288 HydrophobicContact CD2-CD2 4.42Å; W262-L288 HydrophobicContact CG-CB 4.37Å; W262-L288 HydrophobicContact CG-CD1 4.33Å; W262-L288 HydrophobicContact CG-CD2 4.46Å; W262-L288 HydrophobicContact CZ2-CB 3.98Å; W262-Y301 HydrophobicContact CE3-CD1 4.34Å; W262-H302 WeakPolarHBondContact CA-O 3.46Å; W262-C303 HydrophobicContact CD2-CB 4.14Å; W262-C303 HydrophobicContact CE3-CB 3.97Å; W262-C303 HydrophobicContact CH2-CB 3.82Å; W262-C303 HydrophobicContact CZ2-CB 3.97Å; W262-C303 HydrophobicContact CZ3-CB 3.8Å
263H92.3Very high84.3Confident37 Ų3788.6 Ų88.617%0.17143%0.43CS..EExtended strand (participates in β ladder)trans-126.8131.8175-61.3-81.8000110.8R272 K273 Y301 H302H263-R272 HydrophobicContact CB-CB 4.25Å; H263-K273 CarbonylContact C-O 3.5Å; H263-K273 VanDerWaalsContact CA-O 3.29Å; H263-K273 WeakPolarHBondContact CA-O 3.29Å; H263-Y301 CarbonylContact O-C 3.57Å; H263-Y301 WeakPolarHBondContact O-CA 3.32Å; H263-H302 HydrophobicContact CB-CB 4.35Å; H263-H302 PolarHBondContact N-O 2.66Å; H263-H302 PolarHBondContact O-N 2.93Å
264L91.8Very high84.7Confident22 Ų2292 Ų9212%0.11544%0.442CS..EExtended strand (participates in β ladder)trans-97.8127.4172.8178.259.1000109.8K266 K273 I275 Y301L264-K266 HydrophobicContact CD2-CG 4.46Å; L264-K266 HydrophobicContact CG-CG 4.41Å; L264-K273 PolarHBondContact N-O 2.79Å; L264-K273 PolarHBondContact O-N 3.28Å; L264-I275 HydrophobicContact CB-CD1 4.05Å; L264-I275 HydrophobicContact CB-CG1 4.08Å; L264-Y301 HydrophobicContact CD1-CD1 4.41Å; L264-Y301 HydrophobicContact CD1-CD2 3.8Å; L264-Y301 HydrophobicContact CD1-CE1 4.18Å; L264-Y301 HydrophobicContact CD1-CE2 3.47Å; L264-Y301 VanDerWaalsContact CD1-CE2 3.47Å; L264-Y301 HydrophobicContact CD1-CG 4.24Å
265Q91.1Very high85.2Confident29 Ų2984.2 Ų84.214%0.13641%0.414CS..EExtended strand (participates in β ladder)trans-110.3117167.4-177.1173.62.700107.9S269 D270 R272 I300 H302Q265-S269 VanDerWaalsContact CG-O 3.3Å; Q265-S269 WeakPolarHBondContact CG-O 3.27Å; Q265-D270 PolarHBondContact NE2-OD1 2.78Å; Q265-R272 HydrophobicContact CB-CG 4.3Å; Q265-I300 HydrophobicContact CB-CB 4.28Å; Q265-I300 PolarHBondContact N-O 2.99Å; Q265-I300 PolarHBondContact O-N 3.44Å; Q265-H302 PolarHBondContact OE1-CE1 2.83Å
266K87Confident85.6Confident90 Ų9091.6 Ų91.639%0.39144%0.437SS..  trans-79.9150.9177.2-65.5-160.7175.2-147.90109.6L264 N268 S269 S296L264-K266 HydrophobicContact CD2-CG 4.46Å; L264-K266 HydrophobicContact CG-CG 4.41Å; K266-N268 PolarHBondContact O-N 2.83Å; K266-N268 VanDerWaalsContact O-N 3.14Å; K266-S269 CarbonylContact O-C 3.6Å; K266-S269 PolarHBondContact O-N 2.9Å; K266-S296 PolarHBondContact NZ-O 3.01Å
267E78.7Confident85.7Confident168 Ų16889.1 Ų89.179%0.78542%0.423SS*.THydrogen-bonded Turntrans-54.8-35.9-177.9-162166.4-164.700113
268N77Confident85.8Confident163 Ų16389.8 Ų89.887%0.87243%0.426SS*.THydrogen-bonded Turntrans-92.813.5179.9-61.6-15000114.1K266K266-N268 PolarHBondContact O-N 2.83Å; K266-N268 VanDerWaalsContact O-N 3.14Å
269S78.9Confident85.7Confident49 Ų4991.7 Ų91.734%0.34345%0.452SS..  trans-147.6126.3-177.6-169.20000113Q265 K266 R271Q265-S269 VanDerWaalsContact CG-O 3.3Å; Q265-S269 WeakPolarHBondContact CG-O 3.27Å; K266-S269 CarbonylContact O-C 3.6Å; K266-S269 PolarHBondContact O-N 2.9Å; S269-R271 PolarHBondContact O-N 3.14Å; S269-R271 PolarHBondContact OG-N 2.8Å
270D76.6Confident85.9Confident151 Ų15191.3 Ų91.381%0.80744%0.44SS*.SBendtrans-71-7.1169-86.4-23.9000113.9Q265 R272Q265-D270 PolarHBondContact NE2-OD1 2.78Å; D270-R272 PolarHBondContact O-N 3.42Å
271R84Confident85.9Confident199 Ų19990.4 Ų90.475%0.75144%0.436SS*.  trans-87114-174.5-150172.5176.9151-0.4110.6S269 K273S269-R271 PolarHBondContact O-N 3.14Å; S269-R271 PolarHBondContact OG-N 2.8Å; R271-K273 PolarHBondContact O-N 3.49Å
272R86.7Confident85.9Confident135 Ų13589.7 Ų89.751%0.50944%0.435SS..PPolyproline II helixtrans-72.8122.7173.3-66.8179.3-176.9175.50.3110.6H263 Q265 D270 H302H263-R272 HydrophobicContact CB-CB 4.25Å; Q265-R272 HydrophobicContact CB-CG 4.3Å; D270-R272 PolarHBondContact O-N 3.42Å; R272-H302 PolarHBondContact NH2-NE2 2.77Å
273K88.7Confident85.8Confident140 Ų14093.1 Ų93.161%0.60945%0.45SS*.EExtended strand (participates in β ladder)trans-102.5126.3174.4-67.4-174.3-179.4-177.50110H263 L264 R271 I275H263-K273 CarbonylContact C-O 3.5Å; H263-K273 VanDerWaalsContact CA-O 3.29Å; H263-K273 WeakPolarHBondContact CA-O 3.29Å; L264-K273 PolarHBondContact N-O 2.79Å; L264-K273 PolarHBondContact O-N 3.28Å; R271-K273 PolarHBondContact O-N 3.49Å; K273-I275 PolarHBondContact O-N 3.46Å
274E90.4Very high85.6Confident95 Ų9594.1 Ų94.144%0.44446%0.459SS..EExtended strand (participates in β ladder)trans-65.9128172.4-173.7168.9-177.300109.7K261K261-E274 IonicContact NZ-OE1 3.57Å; K261-E274 PolarHBondContact NZ-OE1 3.28Å; K261-E274 IonicContact NZ-OE2 2.97Å
275I89.3Confident85.1Confident14 Ų1499.7 Ų99.77%0.07249%0.489CS..PPolyproline II helixtrans-77130.7179.2-57.9-175.7000108W262 L264 K273 I281 K283 L288 Y301W262-I275 HydrophobicContact CB-CB 4.2Å; W262-I275 HydrophobicContact CB-CD1 4.02Å; W262-I275 HydrophobicContact CB-CG1 4.3Å; W262-I275 PolarHBondContact O-N 3.27Å; L264-I275 HydrophobicContact CB-CD1 4.05Å; L264-I275 HydrophobicContact CB-CG1 4.08Å; K273-I275 PolarHBondContact O-N 3.46Å; I275-I281 HydrophobicContact CG2-CD1 4.18Å; I275-I281 HydrophobicContact CG2-CG2 3.82Å; I275-K283 WeakPolarHBondContact O-CE 3.38Å; I275-K283 PolarHBondContact O-NZ 2.91Å; I275-L288 HydrophobicContact CD1-CD2 3.66Å; I275-L288 HydrophobicContact CG2-CD1 4.31Å; I275-L288 HydrophobicContact CG2-CD2 4.42Å; I275-Y301 HydrophobicContact CD1-CD1 3.54Å; I275-Y301 HydrophobicContact CD1-CE1 3.38Å
276R85.5Confident84.8Confident184 Ų184102.4 Ų102.469%0.69450%0.502SS*.PPolyproline II helixtrans-99.4146.3172.8-65.1-175.6177.4-173.8-1.4109.8E278R276-E278 HydrophobicContact CB-CG 4.29Å; R276-E278 PolarHBondContact O-N 2.68Å; R276-E278 VanDerWaalsContact O-N 3.14Å
277S80.6Confident85Confident67 Ų6798.1 Ų98.147%0.46948%0.483SS..  trans-79.191175.6-560000108.5K283S277-K283 WeakPolarHBondContact OG-CD 3.44Å; S277-K283 WeakPolarHBondContact OG-CG 3.17Å
278E79.6Confident85.7Confident129 Ų12990.1 Ų90.160%0.60345%0.446SS*.  trans-136.9125.1-179.1-70.4177.8-158.800110.5R276 R280 I281R276-E278 HydrophobicContact CB-CG 4.29Å; R276-E278 PolarHBondContact O-N 2.68Å; R276-E278 VanDerWaalsContact O-N 3.14Å; E278-R280 PolarHBondContact O-N 3.41Å; E278-I281 PolarHBondContact N-O 2.86Å; E278-I281 PolarHBondContact O-N 3.02Å
279G82.9Confident86.5Confident68 Ų6884.6 Ų84.670%0.70142%0.416SS*.THydrogen-bonded Turntrans57.7-84.7173.400000115.2
280R89.6Confident87.2Confident53 Ų5382.2 Ų82.220%0.240%0.399CS..THydrogen-bonded Turntrans-87.6-20.6-172-166.4172.765.375.57.6113.6E278 R291 S292 D297E278-R280 PolarHBondContact O-N 3.41Å; R280-R291 HydrophobicContact CG-CB 4.15Å; R280-R291 WeakPolarHBondContact O-CB 3.24Å; R280-R291 PolarHBondContact O-N 2.85Å; R280-S292 WeakPolarHBondContact CD-O 3.11Å; R280-S292 VanDerWaalsContact CZ-O 3.32Å; R280-S292 PolarHBondContact NE-O 3.22Å; R280-S292 VanDerWaalsContact NH1-C 3.34Å; R280-S292 PolarHBondContact NH1-O 2.88Å; R280-D297 IonicContact CZ-OD1 2.68Å; R280-D297 IonicContact CZ-OD2 2.71Å; R280-D297 IonicContact NH1-OD1 3.08Å; R280-D297 IonicContact NH1-OD2 3.6Å; R280-D297 PolarHBondContact NH1-OD2 2.95Å; R280-D297 IonicContact NH2-OD1 3.83Å; R280-D297 PolarHBondContact NH2-OD1 3.21Å; R280-D297 IonicContact NH2-OD2 3.75Å; R280-D297 PolarHBondContact NH2-OD2 3Å
281I91Very high88Confident27 Ų2781.4 Ų81.414%0.13839%0.385CS..EExtended strand (participates in β ladder)trans-108.5123.4-177.1-58.3176.6000109.1I275 E278 L288 L289I275-I281 HydrophobicContact CG2-CD1 4.18Å; I275-I281 HydrophobicContact CG2-CG2 3.82Å; E278-I281 PolarHBondContact N-O 2.86Å; E278-I281 PolarHBondContact O-N 3.02Å; I281-L288 HydrophobicContact CG2-CD1 3.51Å; I281-L288 HydrophobicContact CG2-CD2 4.29Å; I281-L288 HydrophobicContact CG2-CG 3.97Å; I281-L289 WeakPolarHBondContact CA-O 3.33Å
282L90.6Very high88.3Confident60 Ų6074.2 Ų74.231%0.31437%0.365SS..EExtended strand (participates in β ladder)trans-117130176.4-65.3177.4000110.2L289 R291L282-L289 HydrophobicContact CB-CB 4.23Å; L282-L289 HydrophobicContact CD1-CD2 4.2Å; L282-L289 PolarHBondContact N-O 3.16Å; L282-L289 PolarHBondContact O-N 2.83Å; L282-R291 VanDerWaalsContact CD1-NH2 3.34Å
283K89.3Confident88.6Confident76 Ų7667.9 Ų67.933%0.3334%0.341SS..EExtended strand (participates in β ladder)trans-90.1132.7169.5-66.6179.3-168177.70108.9I275 S277 L288I275-K283 WeakPolarHBondContact O-CE 3.38Å; I275-K283 PolarHBondContact O-NZ 2.91Å; S277-K283 WeakPolarHBondContact OG-CD 3.44Å; S277-K283 WeakPolarHBondContact OG-CG 3.17Å; K283-L288 HydrophobicContact CG-CD1 3.75Å
284T87.4Confident88.8Confident57 Ų5765.6 Ų65.635%0.3533%0.333SS..EExtended strand (participates in β ladder)trans-124.8165.117470.50000108.7F248 Q286 G287F248-T284 WeakPolarHBondContact CE2-OG1 3.38Å; T284-Q286 PolarHBondContact O-N 3.1Å; T284-Q286 PolarHBondContact OG1-N 3.45Å; T284-G287 PolarHBondContact N-O 2.8Å; T284-G287 PolarHBondContact O-N 2.87Å; T284-G287 VanDerWaalsContact O-O 3.04Å; T284-G287 PolarHBondContact OG1-N 2.78Å; T284-G287 VanDerWaalsContact OG1-N 3.11Å; T284-G287 PolarHBondContact OG1-O 3.02Å
285D81.8Confident88.7Confident140 Ų14064.3 Ų64.375%0.74933%0.334SS*.THydrogen-bonded Turntrans-67.5-19.1178.7-56.5-21.2000112.8
286Q85.9Confident88.7Confident86 Ų8666.6 Ų66.640%0.40235%0.351SS..THydrogen-bonded Turntrans-100-6.7-179.6-56.2-56.8-48.500112.9F248 C251 Q252 T284F248-Q286 HydrophobicContact CZ-CB 3.99Å; F248-Q286 WeakPolarHBondContact CZ-O 3.5Å; C251-Q286 CarbonylContact C-O 3.57Å; C251-Q286 PolarHBondContact N-O 2.88Å; C251-Q286 CarbonylContact O-C 3.59Å; C251-Q286 VanDerWaalsContact O-C 3.24Å; Q252-Q286 VanDerWaalsContact CG-OE1 3.3Å; T284-Q286 PolarHBondContact O-N 3.1Å; T284-Q286 PolarHBondContact OG1-N 3.45Å
287G90.4Very high88.9Confident0 Ų058.3 Ų58.30%032%0.321CS..EExtended strand (participates in β ladder)trans153.5-166.8-175.200000116.2L249 T284L249-G287 CarbonylContact O-C 3.59Å; L249-G287 WeakPolarHBondContact O-CA 3.31Å; T284-G287 PolarHBondContact N-O 2.8Å; T284-G287 PolarHBondContact O-N 2.87Å; T284-G287 VanDerWaalsContact O-O 3.04Å; T284-G287 PolarHBondContact OG1-N 2.78Å; T284-G287 VanDerWaalsContact OG1-N 3.11Å; T284-G287 PolarHBondContact OG1-O 3.02Å
288L93Very high89.4Confident0 Ų056.3 Ų56.30%031%0.31CS..EExtended strand (participates in β ladder)trans-110.7118.1-177.5-169.374.7000110.9F248 L249 W262 I275 I281 K283 I290 Y301F248-L288 WeakPolarHBondContact CA-O 3.36Å; L249-L288 HydrophobicContact CB-CB 4.23Å; L249-L288 HydrophobicContact CD1-CD2 4.17Å; L249-L288 PolarHBondContact N-O 2.82Å; L249-L288 PolarHBondContact O-N 3.29Å; W262-L288 HydrophobicContact CD2-CB 4.07Å; W262-L288 HydrophobicContact CD2-CD2 4.42Å; W262-L288 HydrophobicContact CG-CB 4.37Å; W262-L288 HydrophobicContact CG-CD1 4.33Å; W262-L288 HydrophobicContact CG-CD2 4.46Å; W262-L288 HydrophobicContact CZ2-CB 3.98Å; I275-L288 HydrophobicContact CD1-CD2 3.66Å; I275-L288 HydrophobicContact CG2-CD1 4.31Å; I275-L288 HydrophobicContact CG2-CD2 4.42Å; I281-L288 HydrophobicContact CG2-CD1 3.51Å; I281-L288 HydrophobicContact CG2-CD2 4.29Å; I281-L288 HydrophobicContact CG2-CG 3.97Å; K283-L288 HydrophobicContact CG-CD1 3.75Å; L288-I290 HydrophobicContact CD2-CD1 4.47Å; L288-I290 HydrophobicContact CD2-CG1 4.43Å; L288-Y301 HydrophobicContact CD2-CD1 3.91Å; L288-Y301 HydrophobicContact CD2-CE1 3.73Å
289L93.4Very high90Very high46 Ų4650.2 Ų50.224%0.24128%0.282CS..EExtended strand (participates in β ladder)trans-96.8124.4175.3-178.666.9000110.7T246 F248 I281 L282T246-L289 HydrophobicContact CG2-CD1 3.56Å; T246-L289 HydrophobicContact CG2-CG 4.44Å; F248-L289 HydrophobicContact CB-CD1 4.19Å; F248-L289 HydrophobicContact CD2-CB 3.98Å; F248-L289 HydrophobicContact CD2-CD1 4.19Å; I281-L289 WeakPolarHBondContact CA-O 3.33Å; L282-L289 HydrophobicContact CB-CB 4.23Å; L282-L289 HydrophobicContact CD1-CD2 4.2Å; L282-L289 PolarHBondContact N-O 3.16Å; L282-L289 PolarHBondContact O-N 2.83Å
290I94.3Very high90.4Very high0 Ų048.6 Ų48.60%026%0.257CS..EExtended strand (participates in β ladder)trans-111.7106.7176-57177.9000107.8T246 T247 L249 L288 S292 L293 Y301 L319T246-I290 CarbonylContact C-O 3.53Å; T246-I290 WeakPolarHBondContact CA-O 3.49Å; T246-I290 WeakPolarHBondContact CG2-O 3.31Å; T247-I290 PolarHBondContact N-O 3Å; T247-I290 PolarHBondContact O-N 3.38Å; L249-I290 HydrophobicContact CD1-CD1 4.27Å; L288-I290 HydrophobicContact CD2-CD1 4.47Å; L288-I290 HydrophobicContact CD2-CG1 4.43Å; I290-S292 PolarHBondContact O-N 3.13Å; I290-L293 HydrophobicContact CG2-CD2 4.09Å; I290-L293 HydrophobicContact CG2-CG 4.32Å; I290-Y301 HydrophobicContact CD1-CE1 4.24Å; I290-L319 HydrophobicContact CD1-CD2 4.03Å
291R93.1Very high90.5Very high134 Ų13446.2 Ų46.251%0.50625%0.248SC..SBendtrans-67.3-34.9-170.3-71.7178169.1-175.7-8114.6T246 R280 L282T246-R291 WeakPolarHBondContact CA-O 3.33Å; T246-R291 PolarHBondContact OG1-O 2.8Å; R280-R291 HydrophobicContact CG-CB 4.15Å; R280-R291 WeakPolarHBondContact O-CB 3.24Å; R280-R291 PolarHBondContact O-N 2.85Å; L282-R291 VanDerWaalsContact CD1-NH2 3.34Å
292S91.8Very high90.5Very high48 Ų4845.1 Ų45.134%0.33624%0.243SC..SBendtrans-146.690.8-176.6162.90000110.6S245 R280 I290 Q294S245-S292 CarbonylContact O-C 3.6Å; S245-S292 WeakPolarHBondContact O-CA 3.34Å; R280-S292 WeakPolarHBondContact CD-O 3.11Å; R280-S292 VanDerWaalsContact CZ-O 3.32Å; R280-S292 PolarHBondContact NE-O 3.22Å; R280-S292 VanDerWaalsContact NH1-C 3.34Å; R280-S292 PolarHBondContact NH1-O 2.88Å; I290-S292 PolarHBondContact O-N 3.13Å; S292-Q294 PolarHBondContact O-N 3.32Å
293L92.6Very high90.6Very high1 Ų142.3 Ų42.31%0.00523%0.228CC..  trans-52.9137.9-176-80.1160.1000113.4G244 S245 T247 I290 D297 L319 V321G244-L293 PolarHBondContact N-O 3.22Å; S245-L293 PolarHBondContact O-N 3.25Å; T247-L293 WeakPolarHBondContact OG1-CD1 3.38Å; I290-L293 HydrophobicContact CG2-CD2 4.09Å; I290-L293 HydrophobicContact CG2-CG 4.32Å; L293-D297 HydrophobicContact CD2-CB 4.39Å; L293-L319 HydrophobicContact CD2-CD1 4.43Å; L293-L319 HydrophobicContact CD2-CD2 3.77Å; L293-L319 HydrophobicContact CD2-CG 4.5Å; L293-V321 HydrophobicContact CB-CG1 4.32Å; L293-V321 HydrophobicContact CD2-CG2 4.01Å
294Q91.5Very high90.6Very high93 Ų9339.6 Ų39.644%0.43522%0.218SC..  trans-119.2151.8171.3-65.1-174.9-18.800109.4S292 S296 D297S292-Q294 PolarHBondContact O-N 3.32Å; Q294-S296 PolarHBondContact O-N 3.21Å; Q294-D297 PolarHBondContact N-OD2 2.99Å; Q294-D297 VanDerWaalsContact O-CB 3.32Å; Q294-D297 WeakPolarHBondContact O-CB 3.39Å; Q294-D297 PolarHBondContact O-N 3.41Å
295S89Confident90.6Very high68 Ų6837 Ų3748%0.47620%0.201SC..G310 helixtrans-52.9-25.9174.5-61.20000113.2E243 D297E243-S295 PolarHBondContact OE1-OG 3.29Å; S295-D297 VanDerWaalsContact C-N 3.32Å; S295-D297 PolarHBondContact O-N 2.89Å
296S88.5Confident90.8Very high61 Ų6131.3 Ų31.343%0.42717%0.172SC..G310 helixtrans-76.1-12.9178.872.40000115.2K266 Q294 G298K266-S296 PolarHBondContact NZ-O 3.01Å; Q294-S296 PolarHBondContact O-N 3.21Å; S296-G298 VanDerWaalsContact C-N 3.33Å
297D90.4Very high90.8Very high11 Ų1128.3 Ų28.36%0.05916%0.158CC..G310 helixtrans-81.5-12.6178.2-63.8-37.8000112.7R280 L293 Q294 S295 Y301 L319 V321R280-D297 IonicContact CZ-OD1 2.68Å; R280-D297 IonicContact CZ-OD2 2.71Å; R280-D297 IonicContact NH1-OD1 3.08Å; R280-D297 IonicContact NH1-OD2 3.6Å; R280-D297 PolarHBondContact NH1-OD2 2.95Å; R280-D297 IonicContact NH2-OD1 3.83Å; R280-D297 PolarHBondContact NH2-OD1 3.21Å; R280-D297 IonicContact NH2-OD2 3.75Å; R280-D297 PolarHBondContact NH2-OD2 3Å; L293-D297 HydrophobicContact CD2-CB 4.39Å; Q294-D297 PolarHBondContact N-OD2 2.99Å; Q294-D297 VanDerWaalsContact O-CB 3.32Å; Q294-D297 WeakPolarHBondContact O-CB 3.39Å; Q294-D297 PolarHBondContact O-N 3.41Å; S295-D297 VanDerWaalsContact C-N 3.32Å; S295-D297 PolarHBondContact O-N 2.89Å; D297-Y301 WeakPolarHBondContact O-CE2 3.38Å; D297-Y301 PolarHBondContact O-OH 2.75Å; D297-L319 HydrophobicContact CB-CD2 4.42Å; D297-V321 HydrophobicContact CB-CG2 4.38Å
298G91.1Very high90.1Very high24 Ų2433.5 Ų33.525%0.24718%0.181CC..  trans-58.5138.3177.700000112.5S296 L319S296-G298 VanDerWaalsContact C-N 3.33Å; G298-L319 WeakPolarHBondContact CA-O 3.39Å
299G91.9Very high89.5Confident1 Ų140.8 Ų40.81%0.0122%0.22CC..EExtended strand (participates in β ladder)trans150.1-171.3178.300000113.9Q318 L319G299-Q318 PolarHBondContact O-OE1 3.42Å; G299-L319 PolarHBondContact N-O 2.82Å; G299-L319 VanDerWaalsContact N-O 3.08Å; G299-L319 PolarHBondContact O-N 3.23Å
300I91.9Very high89.1Confident35 Ų3539.7 Ų39.718%0.17921%0.213CC..EExtended strand (participates in β ladder)trans-93.5115.5-178.6-54167.2000109.5Q265 H302 K316 L317Q265-I300 HydrophobicContact CB-CB 4.28Å; Q265-I300 PolarHBondContact N-O 2.99Å; Q265-I300 PolarHBondContact O-N 3.44Å; I300-H302 WeakPolarHBondContact CG2-CE1 3.49Å; I300-H302 PolarHBondContact O-ND1 3.28Å; I300-K316 HydrophobicContact CG2-CD 4.2Å; I300-K316 HydrophobicContact CG2-CG 3.56Å; I300-L317 CarbonylContact C-O 3.55Å; I300-L317 WeakPolarHBondContact CA-O 3.25Å
301Y92.5Very high88.6Confident2 Ų246.9 Ų46.91%0.00824%0.244CC..EExtended strand (participates in β ladder)trans-91.3129.2172.9-72-105.2000110.3L249 W262 H263 L264 I275 L288 I290 D297 K316 L317 L319L249-Y301 HydrophobicContact CD1-CD1 3.42Å; L249-Y301 VanDerWaalsContact CD1-CD1 3.42Å; L249-Y301 HydrophobicContact CD1-CD2 3.92Å; L249-Y301 HydrophobicContact CD1-CE1 3.73Å; L249-Y301 HydrophobicContact CD1-CE2 4.23Å; L249-Y301 HydrophobicContact CD1-CG 3.52Å; W262-Y301 HydrophobicContact CE3-CD1 4.34Å; H263-Y301 CarbonylContact O-C 3.57Å; H263-Y301 WeakPolarHBondContact O-CA 3.32Å; L264-Y301 HydrophobicContact CD1-CD1 4.41Å; L264-Y301 HydrophobicContact CD1-CD2 3.8Å; L264-Y301 HydrophobicContact CD1-CE1 4.18Å; L264-Y301 HydrophobicContact CD1-CE2 3.47Å; L264-Y301 VanDerWaalsContact CD1-CE2 3.47Å; L264-Y301 HydrophobicContact CD1-CG 4.24Å; I275-Y301 HydrophobicContact CD1-CD1 3.54Å; I275-Y301 HydrophobicContact CD1-CE1 3.38Å; L288-Y301 HydrophobicContact CD2-CD1 3.91Å; L288-Y301 HydrophobicContact CD2-CE1 3.73Å; I290-Y301 HydrophobicContact CD1-CE1 4.24Å; D297-Y301 WeakPolarHBondContact O-CE2 3.38Å; D297-Y301 PolarHBondContact O-OH 2.75Å; Y301-K316 CarbonylContact O-C 3.54Å; Y301-K316 WeakPolarHBondContact O-CA 3.23Å; Y301-L317 PolarHBondContact N-O 3.27Å; Y301-L317 PolarHBondContact O-N 3.49Å; Y301-L319 HydrophobicContact CD2-CB 3.85Å; Y301-L319 HydrophobicContact CD2-CD2 4.44Å; Y301-L319 HydrophobicContact CE2-CB 3.65Å; Y301-L319 HydrophobicContact CE2-CD2 3.59Å; Y301-L319 HydrophobicContact CE2-CG 4.27Å
302H91.4Very high88Confident5 Ų542.2 Ų42.22%0.02323%0.228CC..EExtended strand (participates in β ladder)trans-113.6118.4175.7-60.774.9000109W262 H263 Q265 R272 I300W262-H302 WeakPolarHBondContact CA-O 3.46Å; H263-H302 HydrophobicContact CB-CB 4.35Å; H263-H302 PolarHBondContact N-O 2.66Å; H263-H302 PolarHBondContact O-N 2.93Å; Q265-H302 PolarHBondContact OE1-CE1 2.83Å; R272-H302 PolarHBondContact NH2-NE2 2.77Å; I300-H302 WeakPolarHBondContact CG2-CE1 3.49Å; I300-H302 PolarHBondContact O-ND1 3.28Å
303C90.9Very high87.7Confident0 Ų041.4 Ų41.40%022%0.221CC..EExtended strand (participates in β ladder)trans-92.3120.1168.6-1730000109C251 W262 T313 L314 V315C251-C303 HydrophobicContact CB-CB 3.63Å; C251-C303 WeakPolarHBondContact CB-SG 3.45Å; C251-C303 WeakPolarHBondContact SG-CB 3.49Å; C251-C303 CovalentContact SG-SG 2.02Å; C251-C303 PolarHBondContact SG-SG 2.86Å; W262-C303 HydrophobicContact CD2-CB 4.14Å; W262-C303 HydrophobicContact CE3-CB 3.97Å; W262-C303 HydrophobicContact CH2-CB 3.82Å; W262-C303 HydrophobicContact CZ2-CB 3.97Å; W262-C303 HydrophobicContact CZ3-CB 3.8Å; C303-T313 CarbonylContact O-C 3.6Å; C303-T313 WeakPolarHBondContact O-CA 3.44Å; C303-T313 WeakPolarHBondContact O-CG2 3.47Å; C303-L314 PolarHBondContact O-N 3.39Å; C303-V315 HydrophobicContact CB-CB 4.18Å; C303-V315 PolarHBondContact N-O 2.77Å; C303-V315 PolarHBondContact O-N 2.83Å
304T89.4Confident87.2Confident20 Ų2043.7 Ų43.712%0.12323%0.233CC..EExtended strand (participates in β ladder)trans-117.1133.1-17956.40000110.3L260 K261 H312L260-T304 CarbonylContact C-O 3.59Å; L260-T304 WeakPolarHBondContact CA-O 3.37Å; K261-T304 PolarHBondContact N-O 2.9Å; K261-T304 PolarHBondContact O-N 3.16Å; K261-T304 PolarHBondContact O-OG1 2.84Å; T304-H312 CarbonylContact C-O 3.6Å; T304-H312 VanDerWaalsContact CA-O 3.29Å; T304-H312 WeakPolarHBondContact CA-O 3.28Å
305S87.5Confident87Confident1 Ų141 Ų411%0.00722%0.223CC..EExtended strand (participates in β ladder)trans-99.9138.3175.147.20000109.6S259 K311 H312S259-S305 WeakPolarHBondContact O-CA 3.36Å; S305-K311 WeakPolarHBondContact O-CA 3.5Å; S305-H312 PolarHBondContact N-O 3.49Å; S305-H312 PolarHBondContact O-N 3.46Å; S305-H312 PolarHBondContact OG-CD2 2.95Å; S305-H312 PolarHBondContact OG-CE1 2.8Å; S305-H312 PolarHBondContact OG-ND1 2.79Å; S305-H312 VanDerWaalsContact OG-ND1 3.14Å; S305-H312 PolarHBondContact OG-NE2 2.69Å; S305-H312 PolarHBondContact OG-O 2.99Å
306T87.3Confident87Confident22 Ų2240.2 Ų40.214%0.13521%0.211CC..EExtended strand (participates in β ladder)trans-124.2120.7170.5-51.90000110.2S259 F310 K311S259-T306 PolarHBondContact N-O 2.87Å; S259-T306 PolarHBondContact O-N 2.83Å; S259-T306 WeakPolarHBondContact OG-CB 3.17Å; S259-T306 PolarHBondContact OG-O 2.95Å; S259-T306 VanDerWaalsContact OG-O 3.1Å; T306-F310 VanDerWaalsContact CA-O 3.31Å; T306-F310 WeakPolarHBondContact CA-O 3.49Å; T306-K311 HydrophobicContact CG2-CG 3.83Å; T306-K311 WeakPolarHBondContact OG1-CG 3.21Å
307E85.4Confident87.2Confident22 Ų2237.7 Ų37.710%0.10319%0.192CC..EExtended strand (participates in β ladder)trans-135.5125176.8-173.3168.4-15700109.2L185 S255 V258 N309 F310L185-E307 HydrophobicContact CD2-CG 4.34Å; S255-E307 PolarHBondContact OG-OE1 2.73Å; V258-E307 HydrophobicContact CG2-CB 3.93Å; V258-E307 HydrophobicContact CG2-CG 4.32Å; V258-E307 WeakPolarHBondContact CG2-OE2 3.4Å; E307-N309 VanDerWaalsContact C-N 3.26Å; E307-N309 PolarHBondContact O-N 3Å; E307-N309 VanDerWaalsContact O-N 3.13Å; E307-F310 PolarHBondContact N-O 2.81Å; E307-F310 WeakPolarHBondContact O-CA 3.38Å; E307-F310 WeakPolarHBondContact O-CB 3.38Å; E307-F310 PolarHBondContact O-N 2.93Å
308K76.3Confident87.3Confident109 Ų10939.1 Ų39.147%0.47420%0.199SC..THydrogen-bonded Turntrans46.644.9-179.5-62.2-169171.7-1600114.4E129 F310E129-K308 IonicContact OE1-NZ 3.04Å; E129-K308 PolarHBondContact OE1-NZ 2.97Å; K308-F310 PolarHBondContact O-N 2.86Å
309N80.3Confident87.4Confident153 Ų15338 Ų3882%0.81819%0.187SC*.THydrogen-bonded Turntrans66.74.5-177-55.8-41.8000115.9E307E307-N309 VanDerWaalsContact C-N 3.26Å; E307-N309 PolarHBondContact O-N 3Å; E307-N309 VanDerWaalsContact O-N 3.13Å
310F83.3Confident87.4Confident23 Ų2340.1 Ų40.110%0.10120%0.2CC..EExtended strand (participates in β ladder)trans-87.9126.3167.7-177.5-105.6000109.6A181 L185 P219 I220 T306 E307 K308 H312A181-F310 HydrophobicContact CB-CE1 3.56Å; A181-F310 HydrophobicContact CB-CZ 3.58Å; L185-F310 HydrophobicContact CD1-CD1 3.91Å; L185-F310 HydrophobicContact CD1-CE1 4.35Å; P219-F310 HydrophobicContact CB-CD1 4.4Å; P219-F310 HydrophobicContact CB-CD2 3.85Å; P219-F310 HydrophobicContact CB-CE1 4.28Å; P219-F310 HydrophobicContact CB-CE2 3.73Å; P219-F310 HydrophobicContact CB-CG 4.18Å; P219-F310 HydrophobicContact CB-CZ 3.94Å; P219-F310 HydrophobicContact CG-CD1 4.08Å; P219-F310 HydrophobicContact CG-CD2 4.16Å; P219-F310 HydrophobicContact CG-CE1 4.31Å; P219-F310 HydrophobicContact CG-CE2 4.4Å; P219-F310 HydrophobicContact CG-CG 3.98Å; P219-F310 HydrophobicContact CG-CZ 4.46Å; I220-F310 HydrophobicContact CD1-CD2 4.44Å; I220-F310 HydrophobicContact CG1-CD2 3.82Å; I220-F310 HydrophobicContact CG1-CE2 4.34Å; T306-F310 VanDerWaalsContact CA-O 3.31Å; T306-F310 WeakPolarHBondContact CA-O 3.49Å; E307-F310 PolarHBondContact N-O 2.81Å; E307-F310 WeakPolarHBondContact O-CA 3.38Å; E307-F310 WeakPolarHBondContact O-CB 3.38Å; E307-F310 PolarHBondContact O-N 2.93Å; K308-F310 PolarHBondContact O-N 2.86Å; F310-H312 AromaticContact CD1-ND1 3.59Å; F310-H312 HydrophobicContact CE1-CB 3.74Å; F310-H312 AromaticContact CE1-CG 3.8Å; F310-H312 AromaticContact CE1-ND1 3.35Å; F310-H312 VanDerWaalsContact CE1-ND1 3.35Å; F310-H312 WeakPolarHBondContact CE1-ND1 3.39Å; F310-H312 HydrophobicContact CZ-CB 4.17Å
311K84.1Confident87.4Confident151 Ų15139.6 Ų39.666%0.65720%0.198SC*.EExtended strand (participates in β ladder)trans-112.7129.3177.8-61.8-170175.4175.80109.9S305 T306S305-K311 WeakPolarHBondContact O-CA 3.5Å; T306-K311 HydrophobicContact CG2-CG 3.83Å; T306-K311 WeakPolarHBondContact OG1-CG 3.21Å
312H81.3Confident87.4Confident37 Ų3742.2 Ų42.217%0.17121%0.212CC..EExtended strand (participates in β ladder)trans-141.7159.717166.5-85000111.2D182 T304 S305 F310 L314D182-H312 IonicContact OD1-NE2 3.63Å; T304-H312 CarbonylContact C-O 3.6Å; T304-H312 VanDerWaalsContact CA-O 3.29Å; T304-H312 WeakPolarHBondContact CA-O 3.28Å; S305-H312 PolarHBondContact N-O 3.49Å; S305-H312 PolarHBondContact O-N 3.46Å; S305-H312 PolarHBondContact OG-CD2 2.95Å; S305-H312 PolarHBondContact OG-CE1 2.8Å; S305-H312 PolarHBondContact OG-ND1 2.79Å; S305-H312 VanDerWaalsContact OG-ND1 3.14Å; S305-H312 PolarHBondContact OG-NE2 2.69Å; S305-H312 PolarHBondContact OG-O 2.99Å; F310-H312 AromaticContact CD1-ND1 3.59Å; F310-H312 HydrophobicContact CE1-CB 3.74Å; F310-H312 AromaticContact CE1-CG 3.8Å; F310-H312 AromaticContact CE1-ND1 3.35Å; F310-H312 VanDerWaalsContact CE1-ND1 3.35Å; F310-H312 WeakPolarHBondContact CE1-ND1 3.39Å; F310-H312 HydrophobicContact CZ-CB 4.17Å; H312-L314 VanDerWaalsContact NE2-CD2 3.27Å; H312-L314 WeakPolarHBondContact NE2-CD2 3.44Å
313T84.8Confident87.3Confident30 Ų3043.5 Ų43.518%0.18422%0.222CC..EExtended strand (participates in β ladder)trans-89.5125.7176.7-52.90000108.3T234 C303 V315T234-T313 WeakPolarHBondContact CG2-O 3.36Å; C303-T313 CarbonylContact O-C 3.6Å; C303-T313 WeakPolarHBondContact O-CA 3.44Å; C303-T313 WeakPolarHBondContact O-CG2 3.47Å; T313-V315 WeakPolarHBondContact CG2-O 3.47Å
314L83.3Confident86.8Confident50 Ų5046.4 Ų46.426%0.26224%0.242SC..EExtended strand (participates in β ladder)trans-84.5-47.1174.8-67.7178.7000111.2A253 L260 C303 H312A253-L314 HydrophobicContact CB-CD1 4.34Å; L260-L314 HydrophobicContact CD2-CD1 3.52Å; C303-L314 PolarHBondContact O-N 3.39Å; H312-L314 VanDerWaalsContact NE2-CD2 3.27Å; H312-L314 WeakPolarHBondContact NE2-CD2 3.44Å
315V86.8Confident86.4Confident35 Ų3555.1 Ų55.121%0.21227%0.272CS..EExtended strand (participates in β ladder)trans-139140.6-173-179.90000110.1C303 T313 L317C303-V315 HydrophobicContact CB-CB 4.18Å; C303-V315 PolarHBondContact N-O 2.77Å; C303-V315 PolarHBondContact O-N 2.83Å; T313-V315 WeakPolarHBondContact CG2-O 3.47Å; V315-L317 HydrophobicContact CG1-CB 4.19Å
316K89.7Confident86.1Confident52 Ų5258.1 Ų58.123%0.22629%0.291CS..EExtended strand (participates in β ladder)trans-122109168.8-173.1-169.9179-156.80108.2E236 T237 I300 Y301E236-K316 WeakPolarHBondContact CA-O 3.01Å; E236-K316 IonicContact OE1-NZ 3Å; E236-K316 PolarHBondContact OE1-NZ 3.39Å; T237-K316 PolarHBondContact N-O 3.5Å; I300-K316 HydrophobicContact CG2-CD 4.2Å; I300-K316 HydrophobicContact CG2-CG 3.56Å; Y301-K316 CarbonylContact O-C 3.54Å; Y301-K316 WeakPolarHBondContact O-CA 3.23Å
317L91.3Very high85.8Confident8 Ų859 Ų594%0.04230%0.296CS..EExtended strand (participates in β ladder)trans-118.6128.4-172.4-175.1149.5000110.6T237 Q239 L249 I300 Y301 V315 L319T237-L317 CarbonylContact O-C 3.59Å; T237-L317 WeakPolarHBondContact O-CA 3.29Å; Q239-L317 HydrophobicContact CB-CD1 4.36Å; Q239-L317 HydrophobicContact CB-CD2 3.96Å; Q239-L317 HydrophobicContact CB-CG 4.37Å; L249-L317 HydrophobicContact CD1-CD2 4.31Å; L249-L317 HydrophobicContact CD2-CD1 4.27Å; L249-L317 HydrophobicContact CD2-CD2 3.68Å; L249-L317 HydrophobicContact CG-CD2 4.49Å; I300-L317 CarbonylContact C-O 3.55Å; I300-L317 WeakPolarHBondContact CA-O 3.25Å; Y301-L317 PolarHBondContact N-O 3.27Å; Y301-L317 PolarHBondContact O-N 3.49Å; V315-L317 HydrophobicContact CG1-CB 4.19Å; L317-L319 HydrophobicContact CD2-CB 4.2Å
318Q92.3Very high85.4Confident41 Ų4162.4 Ų62.419%0.19232%0.315CS..EExtended strand (participates in β ladder)trans-92.3113.3173.2176.964.81200109.1T237 V238 Q239 G299 V320T237-Q318 PolarHBondContact O-N 2.85Å; V238-Q318 WeakPolarHBondContact CA-O 3.46Å; V238-Q318 HydrophobicContact CG1-CG 4.47Å; V238-Q318 HydrophobicContact CG2-CB 4.3Å; Q239-Q318 PolarHBondContact N-O 3.39Å; G299-Q318 PolarHBondContact O-OE1 3.42Å; Q318-V320 HydrophobicContact CG-CG2 4.07Å
319L93.1Very high85.5Confident1 Ų162.6 Ų62.61%0.00532%0.321CS..EExtended strand (participates in β ladder)trans-93.6117.1174.7179.762.9000109.5Q239 T247 L249 I290 L293 D297 G298 G299 Y301 L317 V321Q239-L319 WeakPolarHBondContact O-CA 3.44Å; T247-L319 HydrophobicContact CG2-CD1 4.15Å; L249-L319 HydrophobicContact CD2-CD1 4.39Å; I290-L319 HydrophobicContact CD1-CD2 4.03Å; L293-L319 HydrophobicContact CD2-CD1 4.43Å; L293-L319 HydrophobicContact CD2-CD2 3.77Å; L293-L319 HydrophobicContact CD2-CG 4.5Å; D297-L319 HydrophobicContact CB-CD2 4.42Å; G298-L319 WeakPolarHBondContact CA-O 3.39Å; G299-L319 PolarHBondContact N-O 2.82Å; G299-L319 VanDerWaalsContact N-O 3.08Å; G299-L319 PolarHBondContact O-N 3.23Å; Y301-L319 HydrophobicContact CD2-CB 3.85Å; Y301-L319 HydrophobicContact CD2-CD2 4.44Å; Y301-L319 HydrophobicContact CE2-CB 3.65Å; Y301-L319 HydrophobicContact CE2-CD2 3.59Å; Y301-L319 HydrophobicContact CE2-CG 4.27Å; L317-L319 HydrophobicContact CD2-CB 4.2Å; L319-V321 HydrophobicContact CD2-CG2 4.39Å; L319-V321 HydrophobicContact CG-CG2 4.19Å
320V92.6Very high85.3Confident46 Ų4659.7 Ų59.728%0.27931%0.309SS..EExtended strand (participates in β ladder)trans-105.5116.2174.5-177.30000108.7V238 Q239 Y240 G241 Q318 L322V238-V320 HydrophobicContact CG1-CG2 3.98Å; Q239-V320 PolarHBondContact O-N 3.49Å; Y240-V320 WeakPolarHBondContact CA-O 3.42Å; Y240-V320 HydrophobicContact CD1-CB 3.76Å; Y240-V320 HydrophobicContact CD1-CG1 3.96Å; Y240-V320 HydrophobicContact CE1-CB 3.9Å; Y240-V320 HydrophobicContact CE1-CG1 3.96Å; Y240-V320 HydrophobicContact CE1-CG2 4.21Å; G241-V320 PolarHBondContact N-O 3.33Å; Q318-V320 HydrophobicContact CG-CG2 4.07Å; V320-L322 HydrophobicContact CG1-CD2 4.32Å
321V92.8Very high84.8Confident24 Ų2463.8 Ų63.815%0.14533%0.331CS..EExtended strand (participates in β ladder)trans-94.8116.4178.8-172.40000109.7G241 E243 L293 D297 L319G241-V321 CarbonylContact O-C 3.53Å; G241-V321 WeakPolarHBondContact O-CA 3.26Å; E243-V321 HydrophobicContact CB-CG1 4.4Å; L293-V321 HydrophobicContact CB-CG1 4.32Å; L293-V321 HydrophobicContact CD2-CG2 4.01Å; D297-V321 HydrophobicContact CB-CG2 4.38Å; L319-V321 HydrophobicContact CD2-CG2 4.39Å; L319-V321 HydrophobicContact CG-CG2 4.19Å
322L91.4Very high83.8Confident56 Ų5661.6 Ų61.629%0.29333%0.331SS..EExtended strand (participates in β ladder)trans-87.3126.9177.3-59.9177.2000109.6Y240 G241 E243 V320 V327Y240-L322 HydrophobicContact CD1-CD1 4.35Å; Y240-L322 HydrophobicContact CD1-CD2 4.44Å; Y240-L322 HydrophobicContact CD1-CG 4.43Å; G241-L322 PolarHBondContact O-N 3.17Å; E243-L322 PolarHBondContact N-O 2.85Å; V320-L322 HydrophobicContact CG1-CD2 4.32Å; L322-V327 HydrophobicContact CB-CG2 3.95Å; L322-V327 HydrophobicContact CD1-CG2 4.43Å
323S88.9Confident82.6Confident33 Ų3366.2 Ų66.223%0.23136%0.356CS..PPolyproline II helixtrans-66.8151.8173810000110.5R325 T326 V327S323-R325 PolarHBondContact O-N 2.92Å; S323-R325 VanDerWaalsContact O-N 3.12Å; S323-R325 PolarHBondContact OG-N 3.01Å; S323-T326 WeakPolarHBondContact O-CB 3.47Å; S323-T326 PolarHBondContact O-N 3.01Å; S323-T326 PolarHBondContact OG-N 3.23Å; S323-T326 PolarHBondContact OG-OG1 3.37Å; S323-V327 PolarHBondContact O-N 3.2Å
324S80.8Confident81.1Confident60 Ų6069.8 Ų69.842%0.4238%0.378SS..Hα-helixtrans-56.4-30.5175.9-63.20000112.5N328S324-N328 WeakPolarHBondContact O-CB 3.45Å; S324-N328 PolarHBondContact O-N 2.6Å; S324-N328 PolarHBondContact O-ND2 3.2Å
325R81Confident79.4Confident203 Ų20369.8 Ų69.877%0.76639%0.391SS*.Hα-helixtrans-69-41.6177-60.4-179.7-175.8-178.40.5112.1S323 V327 N328 N329S323-R325 PolarHBondContact O-N 2.92Å; S323-R325 VanDerWaalsContact O-N 3.12Å; S323-R325 PolarHBondContact OG-N 3.01Å; R325-V327 VanDerWaalsContact C-N 3.34Å; R325-N328 PolarHBondContact O-N 3.12Å; R325-N329 WeakPolarHBondContact O-CB 3.42Å; R325-N329 PolarHBondContact O-N 3.48Å; R325-N329 PolarHBondContact O-OD1 3.16Å
326T81.7Confident77.6Confident65 Ų6574.7 Ų74.740%0.39942%0.415SS..Hα-helixtrans-63.8-43.3178.3-480000110.6S323 N329 V330S323-T326 WeakPolarHBondContact O-CB 3.47Å; S323-T326 PolarHBondContact O-N 3.01Å; S323-T326 PolarHBondContact OG-N 3.23Å; S323-T326 PolarHBondContact OG-OG1 3.37Å; T326-N329 PolarHBondContact O-N 3.36Å; T326-V330 WeakPolarHBondContact O-CG2 3.42Å; T326-V330 PolarHBondContact O-N 2.87Å; T326-V330 VanDerWaalsContact O-N 3.08Å
327V80.3Confident75.4Confident39 Ų3977.1 Ų77.124%0.23644%0.437CS..Hα-helixtrans-64.8-45176.9179.80000110.9V242 L322 S323 R325 N329 V330 L331V242-V327 HydrophobicContact CG1-CG2 3.95Å; V242-V327 HydrophobicContact CG2-CG2 3.95Å; L322-V327 HydrophobicContact CB-CG2 3.95Å; L322-V327 HydrophobicContact CD1-CG2 4.43Å; S323-V327 PolarHBondContact O-N 3.2Å; R325-V327 VanDerWaalsContact C-N 3.34Å; V327-N329 PolarHBondContact O-N 2.74Å; V327-V330 PolarHBondContact O-N 3.39Å; V327-L331 HydrophobicContact CG1-CD1 3.93Å; V327-L331 WeakPolarHBondContact O-CG 3.29Å; V327-L331 PolarHBondContact O-N 3.5Å
328N78.5Confident73.4Confident95 Ų9581.4 Ų81.451%0.50847%0.473SS..Hα-helixtrans-62.3-41176.1-74.1-9.4000112.2S324 R325 V330 L331 V332S324-N328 WeakPolarHBondContact O-CB 3.45Å; S324-N328 PolarHBondContact O-N 2.6Å; S324-N328 PolarHBondContact O-ND2 3.2Å; R325-N328 PolarHBondContact O-N 3.12Å; N328-V330 PolarHBondContact O-N 3.22Å; N328-L331 PolarHBondContact O-N 2.89Å; N328-V332 WeakPolarHBondContact O-CB 3.39Å; N328-V332 WeakPolarHBondContact O-CG2 3.31Å; N328-V332 PolarHBondContact O-N 2.71Å
329N78.1Confident70.7Confident112 Ų11286.7 Ų86.760%0.59950%0.502SS*.Hα-helixtrans-63.4-41.5177.4-72.4-4.9000111.6R325 T326 V327 V332 D333R325-N329 WeakPolarHBondContact O-CB 3.42Å; R325-N329 PolarHBondContact O-N 3.48Å; R325-N329 PolarHBondContact O-OD1 3.16Å; T326-N329 PolarHBondContact O-N 3.36Å; V327-N329 PolarHBondContact O-N 2.74Å; N329-V332 PolarHBondContact O-N 2.67Å; N329-D333 VanDerWaalsContact O-CB 3.27Å; N329-D333 WeakPolarHBondContact O-CB 3.38Å; N329-D333 PolarHBondContact O-N 2.94Å
330V75.9Confident68Low93 Ų9392 Ų9256%0.56454%0.536SS*.Hα-helixtrans-65.9-38176.1173.70000111.7T326 V327 N328 V332 T334T326-V330 WeakPolarHBondContact O-CG2 3.42Å; T326-V330 PolarHBondContact O-N 2.87Å; T326-V330 VanDerWaalsContact O-N 3.08Å; V327-V330 PolarHBondContact O-N 3.39Å; N328-V330 PolarHBondContact O-N 3.22Å; V330-V332 VanDerWaalsContact C-N 3.33Å; V330-T334 PolarHBondContact O-N 3.46Å; V330-T334 PolarHBondContact O-OG1 3.42Å
331L72.2Confident65.3Low109 Ų10998.9 Ų98.957%0.57157%0.566SS**Hα-helixtrans-67.2-31.8173.9-72.5167000112.7V327 N328 T334 G335V327-L331 HydrophobicContact CG1-CD1 3.93Å; V327-L331 WeakPolarHBondContact O-CG 3.29Å; V327-L331 PolarHBondContact O-N 3.5Å; N328-L331 PolarHBondContact O-N 2.89Å; L331-T334 WeakPolarHBondContact CA-OG1 3.42Å; L331-T334 PolarHBondContact O-OG1 3.16Å; L331-G335 PolarHBondContact O-N 3.46Å
332V63.8Low62.4Low105 Ų105105.1 Ų105.164%0.63660%0.596SS**Hα-helixtrans-81.1-34.6177.9175.30000111.5N328 N329 V330 G335N328-V332 WeakPolarHBondContact O-CB 3.39Å; N328-V332 WeakPolarHBondContact O-CG2 3.31Å; N328-V332 PolarHBondContact O-N 2.71Å; N329-V332 PolarHBondContact O-N 2.67Å; V330-V332 VanDerWaalsContact C-N 3.33Å; V332-G335 WeakPolarHBondContact O-CA 3.39Å; V332-G335 PolarHBondContact O-N 3.42Å
333D55.7Low59.7Low133 Ų133110.2 Ų110.271%0.71162%0.619SS**Hα-helixtrans-74.4-27.4177.7-146.318.7000112N329 G335N329-D333 VanDerWaalsContact O-CB 3.27Å; N329-D333 WeakPolarHBondContact O-CB 3.38Å; N329-D333 PolarHBondContact O-N 2.94Å; D333-G335 PolarHBondContact O-N 3.34Å
334T52.6Low57.4Low105 Ų105114.6 Ų114.664%0.64465%0.649SS**THydrogen-bonded Turntrans-76.8-7.9164.7440000113.2V330 L331V330-T334 PolarHBondContact O-N 3.46Å; V330-T334 PolarHBondContact O-OG1 3.42Å; L331-T334 WeakPolarHBondContact CA-OG1 3.42Å; L331-T334 PolarHBondContact O-OG1 3.16Å
335G47.8Very low55.3Low51 Ų51115.7 Ų115.753%0.52666%0.657SS.*THydrogen-bonded Turntrans-84.90.2176.200000115.2L331 V332 D333L331-G335 PolarHBondContact O-N 3.46Å; V332-G335 WeakPolarHBondContact O-CA 3.39Å; V332-G335 PolarHBondContact O-N 3.42Å; D333-G335 PolarHBondContact O-N 3.34Å
336N49.7Very low53.2Low137 Ų137110.5 Ų110.573%0.73366%0.658SS**  trans-155.2103.2169.9-95.9-27.5000111.6
337P43.3Very low50.9Low104 Ų104118.1 Ų118.168%0.67568%0.679SS**SBend-113.6144103.631.8-30.9000109L339P337-L339 PolarHBondContact O-N 2.72Å
338A49.2Very low49.2Very low98 Ų98122.1 Ų122.181%0.8170%0.704SS**  trans-42.4102.5177.900000112.1
339L34.9Very low47.3Very low152 Ų152123.2 Ų123.280%0.79672%0.716SS**  trans-74.7130.5160.6-76.9161.6000106.7P337 Q341P337-L339 PolarHBondContact O-N 2.72Å; L339-Q341 PolarHBondContact O-N 3.03Å
340P37.3Very low46.4Very low111 Ų111121.7 Ų121.772%0.72172%0.715SS**  trans-57.9137.9166.8-10.823.8000108.2I342P340-I342 PolarHBondContact O-N 3.29Å
341Q36.1Very low45.3Very low192 Ų192123.4 Ų123.490%0.89773%0.725SS**  trans-47.5110.8178.3-71.7179.2-5900111L339 Q343L339-Q341 PolarHBondContact O-N 3.03Å; Q341-Q343 PolarHBondContact O-N 3.25Å; Q341-Q343 VanDerWaalsContact O-N 3.13Å
342I30.5Very low44.4Very low154 Ų154120.5 Ų120.579%0.7972%0.721SS**  trans-77.498.7164.3-62.7175.4000105.8P340 S344P340-I342 PolarHBondContact O-N 3.29Å; I342-S344 PolarHBondContact O-N 2.94Å
343Q36.4Very low44Very low163 Ų163121.4 Ų121.476%0.76272%0.718SS**  trans-55.7130.6162.1-74.3179-2200108.1Q341 S345Q341-Q343 PolarHBondContact O-N 3.25Å; Q341-Q343 VanDerWaalsContact O-N 3.13Å; Q343-S345 VanDerWaalsContact C-N 3.25Å; Q343-S345 PolarHBondContact O-N 3.33Å
344S39.3Very low43.8Very low125 Ų125123.1 Ų123.187%0.87472%0.716SS**  trans-60.190.5167.354.10000108.9I342I342-S344 PolarHBondContact O-N 2.94Å
345S36.4Very low43.8Very low84 Ų84125.1 Ų125.159%0.58772%0.716SS**  trans-101.1126.4163.650.70000107.6Q343 W347Q343-S345 VanDerWaalsContact C-N 3.25Å; Q343-S345 PolarHBondContact O-N 3.33Å; S345-W347 PolarHBondContact O-N 3.05Å
346A38.3Very low44.3Very low94 Ų94128.3 Ų128.378%0.77772%0.721SS**  trans-55.1113.6168.300000108.1T348A346-T348 PolarHBondContact O-N 2.87Å
347W32Very low44.6Very low224 Ų224127.1 Ų127.185%0.84871%0.714SS**  trans-65.3100.1175.4-89.538.4000109.2S345S345-W347 PolarHBondContact O-N 3.05Å
348T44.6Very low45.2Very low124 Ų124126.7 Ų126.776%0.76171%0.706SS**PPolyproline II helixtrans-93.3126.6154450000106.7A346 S350A346-T348 PolarHBondContact O-N 2.87Å; T348-S350 PolarHBondContact O-N 3.46Å
349P39.4Very low45.8Very low117 Ų117126 Ų12676%0.7669%0.692SS**PPolyproline II helixtrans-69.9126.4-176.227.2-31.9000109.7
350S58.1Low46.9Very low81 Ų81124 Ų12457%0.56668%0.68SS**PPolyproline II helixtrans-84.9147.5177.376.70000111.7T348 G352 Q353T348-S350 PolarHBondContact O-N 3.46Å; S350-G352 PolarHBondContact O-N 3.24Å; S350-Q353 PolarHBondContact O-N 2.96Å
351V53.7Low47.5Very low128 Ų128123.5 Ų123.578%0.77667%0.671SS**THydrogen-bonded Turntrans-56.4-15-174.8179.90000114
352G54Low48.6Very low48 Ų48118.5 Ų118.550%0.49566%0.657SS.*THydrogen-bonded Turntrans-74.5-35.8179.500000114.8S350 Y354 K355S350-G352 PolarHBondContact O-N 3.24Å; G352-Y354 PolarHBondContact O-N 3.03Å; G352-K355 PolarHBondContact O-N 3.35Å
353Q53.8Low50.2Low124 Ų124116 Ų11658%0.57964%0.642SS**Hα-helixtrans-72.6-17.2-177.4-75.9176.6-18.400113.3S350 K355S350-Q353 PolarHBondContact O-N 2.96Å; Q353-K355 VanDerWaalsContact C-N 3.33Å
354Y52.9Low51.3Low170 Ų170113.6 Ų113.667%0.66764%0.641SS**Hα-helixtrans-74-25.2176-138.5-95.1000112.3G352 L358G352-Y354 PolarHBondContact O-N 3.03Å; Y354-L358 HydrophobicContact CD1-CD1 3.8Å; Y354-L358 HydrophobicContact CD1-CG 4.14Å; Y354-L358 HydrophobicContact CE1-CD1 4.36Å; Y354-L358 HydrophobicContact CE1-CG 4.5Å; Y354-L358 WeakPolarHBondContact O-CB 3.43Å; Y354-L358 WeakPolarHBondContact O-CD1 3.44Å; Y354-L358 VanDerWaalsContact O-CG 3.26Å; Y354-L358 WeakPolarHBondContact O-CG 2.99Å; Y354-L358 PolarHBondContact O-N 2.62Å; Y354-L358 VanDerWaalsContact O-N 3.13Å
355K52.9Low52.2Low147 Ų147114.4 Ų114.464%0.63963%0.631SS**Hα-helixtrans-75.1-37.2-178.3-74.3-172.3173.7-177.40112.9G352 Q353 L357 L358 T359G352-K355 PolarHBondContact O-N 3.35Å; Q353-K355 VanDerWaalsContact C-N 3.33Å; K355-L357 VanDerWaalsContact C-N 3.34Å; K355-L358 PolarHBondContact O-N 3.49Å; K355-T359 PolarHBondContact O-N 2.97Å; K355-T359 PolarHBondContact O-OG1 3.46Å
356D56.7Low53.3Low118 Ų118114.1 Ų114.163%0.63162%0.621SS**Hα-helixtrans-67.5-37.4176.7-81.4-18.7000111.8T359 I360D356-T359 PolarHBondContact O-N 3.29Å; D356-I360 WeakPolarHBondContact O-CG1 3.12Å; D356-I360 PolarHBondContact O-N 3.49Å; D356-I360 VanDerWaalsContact O-N 3.16Å
357L56.1Low54.5Low112 Ų112111.7 Ų111.759%0.58661%0.605SS**Hα-helixtrans-69.7-37.7176.8-151.5132.4000112K355 T359 L361K355-L357 VanDerWaalsContact C-N 3.34Å; L357-T359 VanDerWaalsContact C-N 3.32Å; L357-L361 HydrophobicContact CD2-CD1 3.94Å; L357-L361 WeakPolarHBondContact O-CG 2.84Å; L357-L361 PolarHBondContact O-N 3.26Å; L357-L361 VanDerWaalsContact O-N 3.17Å
358L57.3Low56.2Low95 Ų95106.8 Ų106.850%0.49760%0.595SS.*Hα-helixtrans-66.9-32172.6-75.7169.5000112.8Y354 K355 L361 S362Y354-L358 HydrophobicContact CD1-CD1 3.8Å; Y354-L358 HydrophobicContact CD1-CG 4.14Å; Y354-L358 HydrophobicContact CE1-CD1 4.36Å; Y354-L358 HydrophobicContact CE1-CG 4.5Å; Y354-L358 WeakPolarHBondContact O-CB 3.43Å; Y354-L358 WeakPolarHBondContact O-CD1 3.44Å; Y354-L358 VanDerWaalsContact O-CG 3.26Å; Y354-L358 WeakPolarHBondContact O-CG 2.99Å; Y354-L358 PolarHBondContact O-N 2.62Å; Y354-L358 VanDerWaalsContact O-N 3.13Å; K355-L358 PolarHBondContact O-N 3.49Å; L358-L361 PolarHBondContact O-N 3.12Å; L358-S362 WeakPolarHBondContact O-CB 3.25Å; L358-S362 PolarHBondContact O-N 3.17Å; L358-S362 VanDerWaalsContact O-N 3.09Å; L358-S362 PolarHBondContact O-OG 3.13Å
359T61.4Low57.2Low84 Ų84105.4 Ų105.452%0.51558%0.581SS.*Hα-helixtrans-71.1-39.2179.1-50.80000111K355 D356 L357 L361 S362K355-T359 PolarHBondContact O-N 2.97Å; K355-T359 PolarHBondContact O-OG1 3.46Å; D356-T359 PolarHBondContact O-N 3.29Å; L357-T359 VanDerWaalsContact C-N 3.32Å; T359-L361 VanDerWaalsContact C-N 3.35Å; T359-S362 WeakPolarHBondContact CA-OG 3.23Å; T359-S362 PolarHBondContact O-N 2.9Å; T359-S362 PolarHBondContact O-OG 3.16Å
360I57.3Low58.4Low109 Ų109104.6 Ų104.656%0.55957%0.571SS**Hα-helixtrans-65.7-37.7173.9-65.5167.1000111.2D356 S362D356-I360 WeakPolarHBondContact O-CG1 3.12Å; D356-I360 PolarHBondContact O-N 3.49Å; D356-I360 VanDerWaalsContact O-N 3.16Å; I360-S362 VanDerWaalsContact C-N 3.26Å; I360-S362 PolarHBondContact O-N 2.79Å
361L51Low58.7Low101 Ų101106.6 Ų106.653%0.52957%0.571SS.*Hα-helixtrans-72.8-15.3175.7-70.1169.6000114L357 L358 T359L357-L361 HydrophobicContact CD2-CD1 3.94Å; L357-L361 WeakPolarHBondContact O-CG 2.84Å; L357-L361 PolarHBondContact O-N 3.26Å; L357-L361 VanDerWaalsContact O-N 3.17Å; L358-L361 PolarHBondContact O-N 3.12Å; T359-L361 VanDerWaalsContact C-N 3.35Å
362S57.6Low59.4Low86 Ų86108.4 Ų108.460%0.60157%0.565SS**THydrogen-bonded Turntrans-92.74.6-179.472.60000114.5L358 T359 I360L358-S362 WeakPolarHBondContact O-CB 3.25Å; L358-S362 PolarHBondContact O-N 3.17Å; L358-S362 VanDerWaalsContact O-N 3.09Å; L358-S362 PolarHBondContact O-OG 3.13Å; T359-S362 WeakPolarHBondContact CA-OG 3.23Å; T359-S362 PolarHBondContact O-N 2.9Å; T359-S362 PolarHBondContact O-OG 3.16Å; I360-S362 VanDerWaalsContact C-N 3.26Å; I360-S362 PolarHBondContact O-N 2.79Å
363Q63.9Low59.9Low103 Ų103108.5 Ų108.548%0.48156%0.558SS.*  trans-65139.1179.1-70.2-176.4-7.600111.7E365 M366Q363-E365 PolarHBondContact O-N 3.39Å; Q363-E365 VanDerWaalsContact O-N 3.12Å; Q363-M366 PolarHBondContact O-N 3.22Å
364P59.7Low60.4Low112 Ų112109.1 Ų109.173%0.72756%0.559SS**Hα-helixtrans-62.2-23.4-175.922.9-32.3000113.6G367P364-G367 PolarHBondContact O-N 3.29Å
365E59.5Low61Low142 Ų142105.3 Ų105.366%0.66455%0.55SS*.Hα-helixtrans-71.6-30.4176.1-60.8-170.6170.400112.9Q363 G367 L368 I369Q363-E365 PolarHBondContact O-N 3.39Å; Q363-E365 VanDerWaalsContact O-N 3.12Å; E365-G367 VanDerWaalsContact C-N 3.31Å; E365-L368 PolarHBondContact O-N 2.88Å; E365-I369 PolarHBondContact O-N 3.05Å
366M58.9Low61.4Low78 Ų78106.2 Ų106.238%0.38455%0.55SS.*Hα-helixtrans-71.8-26.5172.9-78.9-65.1-74.500112.1Q363 I369 N370Q363-M366 PolarHBondContact O-N 3.22Å; M366-I369 PolarHBondContact O-N 3.42Å; M366-I369 HydrophobicContact SD-CD1 4.16Å; M366-N370 WeakPolarHBondContact O-CB 3.46Å; M366-N370 PolarHBondContact O-N 3.31Å
367G63Low61Low42 Ų42110 Ų11043%0.43356%0.556SS.*Hα-helixtrans-62.8-41.8173.100000112.7P364 E365 N370 Q371P364-G367 PolarHBondContact O-N 3.29Å; E365-G367 VanDerWaalsContact C-N 3.31Å; G367-N370 PolarHBondContact O-N 3.46Å; G367-Q371 WeakPolarHBondContact O-CB 3.47Å; G367-Q371 PolarHBondContact O-N 3.02Å
368L67.3Low60.8Low121 Ų121111.2 Ų111.263%0.63456%0.559SS**Hα-helixtrans-66.9-40176.2-85.1141000112.5E365 Q371 Y372E365-L368 PolarHBondContact O-N 2.88Å; L368-Q371 PolarHBondContact O-N 2.62Å; L368-Y372 WeakPolarHBondContact O-CB 3.33Å; L368-Y372 PolarHBondContact O-N 2.84Å
369I66.6Low60.4Low95 Ų95114.8 Ų114.849%0.48757%0.573SS.*Hα-helixtrans-66.2-41.6175.6-69.4167.6000110.8E365 M366 Q371 Y372 C373E365-I369 PolarHBondContact O-N 3.05Å; M366-I369 PolarHBondContact O-N 3.42Å; M366-I369 HydrophobicContact SD-CD1 4.16Å; I369-Q371 VanDerWaalsContact C-N 3.34Å; I369-Q371 PolarHBondContact O-N 2.82Å; I369-Y372 PolarHBondContact O-N 3.34Å; I369-C373 WeakPolarHBondContact O-CB 3.46Å; I369-C373 PolarHBondContact O-N 3.38Å; I369-C373 PolarHBondContact O-SG 2.8Å; I369-C373 VanDerWaalsContact O-SG 3.33Å
370N64.1Low59.8Low100 Ų100113.9 Ų113.954%0.53558%0.58SS.*Hα-helixtrans-69.6-32.8178.7-126.1-8.8000112.3M366 G367 K374M366-N370 WeakPolarHBondContact O-CB 3.46Å; M366-N370 PolarHBondContact O-N 3.31Å; G367-N370 PolarHBondContact O-N 3.46Å; N370-K374 WeakPolarHBondContact O-CB 3.3Å; N370-K374 WeakPolarHBondContact O-CG 3.09Å; N370-K374 PolarHBondContact O-N 2.9Å
371Q65.8Low59Low123 Ų123115.7 Ų115.758%0.57559%0.591SS**Hα-helixtrans-70.1-43.4174.4-160.1170.97.900111.2G367 L368 I369 C373 K374 D375G367-Q371 WeakPolarHBondContact O-CB 3.47Å; G367-Q371 PolarHBondContact O-N 3.02Å; L368-Q371 PolarHBondContact O-N 2.62Å; I369-Q371 VanDerWaalsContact C-N 3.34Å; I369-Q371 PolarHBondContact O-N 2.82Å; Q371-C373 PolarHBondContact O-N 2.81Å; Q371-K374 PolarHBondContact O-N 3.31Å; Q371-D375 PolarHBondContact O-N 3.37Å
372Y67.3Low58.4Low166 Ų166118.5 Ų118.565%0.65161%0.606SS**Hα-helixtrans-60.8-43.4173.4-176.7-93.7000112.5L368 I369 Y376L368-Y372 WeakPolarHBondContact O-CB 3.33Å; L368-Y372 PolarHBondContact O-N 2.84Å; I369-Y372 PolarHBondContact O-N 3.34Å; Y372-Y376 WeakPolarHBondContact O-CB 2.96Å; Y372-Y376 PolarHBondContact O-N 3.33Å
373C65.2Low57.4Low50 Ų50117.5 Ų117.534%0.33861%0.61SS.*Hα-helixtrans-63.4-46.1174.8-73.80000111.2I369 Q371 D375 Y376 W377I369-C373 WeakPolarHBondContact O-CB 3.46Å; I369-C373 PolarHBondContact O-N 3.38Å; I369-C373 PolarHBondContact O-SG 2.8Å; I369-C373 VanDerWaalsContact O-SG 3.33Å; Q371-C373 PolarHBondContact O-N 2.81Å; C373-D375 PolarHBondContact O-N 3.37Å; C373-Y376 PolarHBondContact O-N 3.13Å; C373-W377 PolarHBondContact O-N 2.88Å
374K64.7Low56.1Low138 Ų138121.4 Ų121.460%0.663%0.633SS**Hα-helixtrans-61.1-42178.5-80.2-179177.9-177.40113N370 Q371 Y376 W377 Q378N370-K374 WeakPolarHBondContact O-CB 3.3Å; N370-K374 WeakPolarHBondContact O-CG 3.09Å; N370-K374 PolarHBondContact O-N 2.9Å; Q371-K374 PolarHBondContact O-N 3.31Å; K374-Y376 VanDerWaalsContact C-N 3.31Å; K374-Y376 PolarHBondContact O-N 3.43Å; K374-W377 PolarHBondContact O-N 2.81Å; K374-Q378 WeakPolarHBondContact O-CG 3.23Å; K374-Q378 PolarHBondContact O-N 3.18Å
375D65.5Low54.7Low90 Ų90120 Ų12048%0.48164%0.639SS.*Hα-helixtrans-65.9-35176.6-72.4-11.7000111.7Q371 C373 H379Q371-D375 PolarHBondContact O-N 3.37Å; C373-D375 PolarHBondContact O-N 3.37Å; D375-H379 PolarHBondContact O-N 3.13Å
376Y60.7Low53.5Low166 Ų166121.5 Ų121.565%0.65165%0.652SS**Hα-helixtrans-69.1-39.7176.3-167.1-95.6000112.7Y372 C373 K374Y372-Y376 WeakPolarHBondContact O-CB 2.96Å; Y372-Y376 PolarHBondContact O-N 3.33Å; C373-Y376 PolarHBondContact O-N 3.13Å; K374-Y376 VanDerWaalsContact C-N 3.31Å; K374-Y376 PolarHBondContact O-N 3.43Å
377W47.3Very low52.3Low196 Ų196120.6 Ų120.674%0.74266%0.662SS**Hα-helixtrans-76.2-31.2179.1-73.5104.9000113C373 K374 H379 G380C373-W377 PolarHBondContact O-N 2.88Å; K374-W377 PolarHBondContact O-N 2.81Å; W377-H379 PolarHBondContact O-N 2.89Å; W377-G380 PolarHBondContact O-N 3.38Å
378Q52.1Low50.9Low139 Ų139128.4 Ų128.465%0.6568%0.684SS**Hα-helixtrans-72.4-15.1174.8-73.7-170.3-10.300113.8K374K374-Q378 WeakPolarHBondContact O-CG 3.23Å; K374-Q378 PolarHBondContact O-N 3.18Å
379H49.6Very low49.8Very low170 Ų170127.4 Ų127.479%0.78769%0.693SS**THydrogen-bonded Turntrans-89.3-4171.2-71-13.7000113.8D375 W377D375-H379 PolarHBondContact O-N 3.13Å; W377-H379 PolarHBondContact O-N 2.89Å
380G47.9Very low48.7Very low65 Ų65132.7 Ų132.767%0.6771%0.712SS**SBendtrans-97.6-10179.700000115.3W377W377-G380 PolarHBondContact O-N 3.38Å
381D41.8Very low47.5Very low146 Ų146133.1 Ų133.178%0.78172%0.724SS**SBendtrans-135.337.1-169.6-15231000113.8
382D38Very low46.1Very low160 Ų160135.4 Ų135.486%0.85674%0.739SS**  trans-133.582.6165.6-98.6-30.6000110.2
383G36.8Very low44.6Very low66 Ų66137.3 Ų137.368%0.6875%0.75SS**  trans-130.595.1161.600000109.4
384L35.6Very low43.3Very low185 Ų185143.8 Ų143.897%0.96978%0.776SS**  trans150.597.9144.4-79.7152.6000110.9
385G31.7Very low41.9Very low83 Ų83145 Ų14586%0.85679%0.788SS**  trans170111.8170.100000115
386D34.8Very low40.6Very low173 Ų173150.5 Ų150.593%0.92581%0.807SS**  trans-40.1147.4-179.9-158.411000118.6
387G32.8Very low39.5Very low58 Ų58151.6 Ų151.660%0.59882%0.819SS**  trans10396.2153.600000119
388K33.3Very low39Very low206 Ų206151.2 Ų151.290%0.89683%0.825SS**  159.299.7117.1-86.1171.8-177.1174.30112K390K388-K390 PolarHBondContact O-N 3.35Å
389A44Very low38.2Very low100 Ų100154.5 Ų154.583%0.82684%0.837SS**  trans-64.5108.5152.200000109.2
390K43.4Very low37.5Very low206 Ų206156.2 Ų156.290%0.89684%0.842SS**  trans162.793.5152.2-93.4165.3-177.2-176.70108.8K388K388-K390 PolarHBondContact O-N 3.35Å
391S39.7Very low36.9Very low110 Ų110158.8 Ų158.877%0.76985%0.848SS**  trans161.665.3146.6-176.40000110.7
392L35.7Very low36.6Very low170 Ų170164.2 Ų164.289%0.8986%0.857SS**  trans-149.342.5166.5-119.2142.7000110.7
393K35.6Very low36.4Very low206 Ų206164 Ų16490%0.89686%0.856SS**SBendtrans-111.412.9174.4-132.1-179.2-176.6-175.60113.1
394E38.5Very low36.2Very low186 Ų186170.8 Ų170.887%0.86986%0.861SS**SBendtrans-12827-172.3-105.3-179.816900115
395L35.7Very low36.2Very low165 Ų165173.9 Ų173.986%0.86486%0.86SS**SBendtrans-130.516.5173.2-105.8139.8000114.1
396K36.7Very low36.3Very low204 Ų204175.7 Ų175.789%0.88785%0.846SS**SBendtrans-105.316.8-179.9-137.7-179.5-177-178.30115
397E37.9Very low36.4Very low189 Ų189176.8 Ų176.888%0.88385%0.845SS**SBendtrans-125.943.8177.6-70.9-161.9151.600113.8
398Q37.2Very low36.4Very low188 Ų188179.4 Ų179.488%0.87985%0.845SS**  trans-145.365.1167.4-89.8-169.238.200112.4
399K34.9Very low36.4Very low209 Ų209175.8 Ų175.891%0.90984%0.836SS**  trans-142.285.7152.7-76.9-166.5177.7174.30110
400K35.2Very low35.8Very low205 Ų205179.9 Ų179.989%0.89184%0.838SS**PPolyproline II helixtrans-67.2139.9160.5-86.3-178.5176.5176.40109.5
401P35.8Very low35.3Very low120 Ų120174.7 Ų174.778%0.77982%0.823SS**PPolyproline II helixtrans-75.4136.9175.731-32.4000110.3
402R35.1Very low35.1Very low260 Ų260176.3 Ų176.398%0.98182%0.823SS**PPolyproline II helixtrans-78.5131.6175.7-144.5174.4-173.4173.61.4109.5
403N34Very low35.7Very low155 Ų155173.2 Ų173.283%0.82981%0.813SS**PPolyproline II helixtrans-69.1148.1-161.5-133.1-8.6000115.1
404R32.5Very low35.7Very low208 Ų208167.9 Ų167.979%0.78581%0.808SS**PPolyproline II helixtrans-54.6147.1158.2-92.9169.9154.9160.5-9.2110.9
405R36.6Very low35.6Very low251 Ų251167.6 Ų167.695%0.94781%0.807SS**  trans-115.6116.4147.2-79.5-174.4176.7178.9-1.6107.9
406H33.1Very low35.8Very low121 Ų121169.9 Ų169.956%0.5683%0.827SS**  trans-75.7146.2159.2-109.7-101.3000108.5D408H406-D408 IonicContact CE1-OD1 2.75Å; H406-D408 PolarHBondContact CE1-OD1 3.06Å; H406-D408 IonicContact CE1-OD2 3.6Å; H406-D408 VanDerWaalsContact ND1-CG 3.3Å; H406-D408 IonicContact ND1-OD1 3.56Å; H406-D408 PolarHBondContact ND1-OD1 3.28Å; H406-D408 IonicContact ND1-OD2 3.58Å; H406-D408 PolarHBondContact ND1-OD2 3.07Å; H406-D408 VanDerWaalsContact ND1-OD2 3.08Å
407H35.7Very low35.8Very low195 Ų195168.2 Ų168.290%0.90382%0.824SS**  trans-131.5103.2145.9-115.4-61.4000105.2
408D33.9Very low35.7Very low113 Ų113167.1 Ų167.160%0.60482%0.821SS**  trans-89.4163.6155.2-57.6-33.3000106.2H406H406-D408 IonicContact CE1-OD1 2.75Å; H406-D408 PolarHBondContact CE1-OD1 3.06Å; H406-D408 IonicContact CE1-OD2 3.6Å; H406-D408 VanDerWaalsContact ND1-CG 3.3Å; H406-D408 IonicContact ND1-OD1 3.56Å; H406-D408 PolarHBondContact ND1-OD1 3.28Å; H406-D408 IonicContact ND1-OD2 3.58Å; H406-D408 PolarHBondContact ND1-OD2 3.07Å; H406-D408 VanDerWaalsContact ND1-OD2 3.08Å
409D33.6Very low35.6Very low131 Ų131165.9 Ų165.970%0.70182%0.818SS**  cis-164.7157.6-4.1-141-26.1000105.9
410Q31Very low35.6Very low186 Ų186163.4 Ų163.487%0.86981%0.813SS**  trans-166.989.7142.1-108.9174.83200110.1
411T33.6Very low35.7Very low97 Ų97160.8 Ų160.860%0.59581%0.808SS**  -2.3146.513042.90000116.5
412N34.3Very low35.7Very low144 Ų144163.5 Ų163.577%0.7781%0.81SS**  cis177.5-169.18.4-114-7.6000105.5
413P49.4Very low35.7Very low104 Ų104156.6 Ų156.668%0.67580%0.798SS**  cis-136.9177.1-42.338.1-20.5000114.4
414A35.8Very low35.8Very low95 Ų95156.7 Ų156.779%0.78580%0.795SS**  trans62.1151.9149.800000118.6
415E36.3Very low36.1Very low180 Ų180152.4 Ų152.484%0.84180%0.796SS**  cis-144.2149.613.3-65.9169.8137.600105
416T40.1Very low36.1Very low212 Ų212143.5 Ų143.5100%1.30178%0.782SS**  176.6071.5-23.50000106.9

Retrieved 416 of 416 residues in 77.1 ms (Link to these results)

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