A0A087YP99_POEFO Loading...

Developmentally-regulated GTP-binding protein 1

AlphaFold DB , UniProt , Accession A0A087YP99, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 366 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
1M60.5Low83.1Confident174 Ų17466.4 Ų66.486%0.85736%0.36SS*.  0132.30-76.7-161.4-9700110K6M1-K6 HydrophobicContact CB-CG 4.3Å
2S80.8Confident83.7Confident74 Ų7470.3 Ų70.352%0.51738%0.38SS..  trans-66.3156.7173.665.10000110.7L4 A5 K6S2-L4 PolarHBondContact O-N 2.82Å; S2-A5 PolarHBondContact O-N 2.85Å; S2-A5 WeakPolarHBondContact OG-CB 3.25Å; S2-A5 PolarHBondContact OG-N 3.29Å; S2-K6 PolarHBondContact O-N 3.42Å
3I80.3Confident84.3Confident38 Ų3868.2 Ų68.220%0.19537%0.367CS..Hα-helixtrans-59-39.3176.7-65.4171.4000110.4A5 K6 I7 L37 L41I3-A5 PolarHBondContact O-N 3.07Å; I3-K6 PolarHBondContact O-N 2.97Å; I3-I7 HydrophobicContact CG2-CD1 4.05Å; I3-I7 WeakPolarHBondContact O-CG1 3.22Å; I3-I7 PolarHBondContact O-N 3.42Å; I3-L37 HydrophobicContact CG2-CB 4.46Å; I3-L37 HydrophobicContact CG2-CD2 4.37Å; I3-L41 HydrophobicContact CB-CD2 4.2Å; I3-L41 HydrophobicContact CG2-CD1 4.46Å; I3-L41 HydrophobicContact CG2-CD2 3.75Å; I3-L41 HydrophobicContact CG2-CG 3.92Å
4L78.9Confident84.6Confident66 Ų6666.8 Ų66.835%0.34636%0.358SS..Hα-helixtrans-63.1-38.6176.7-66.9171.1000112.6S2 I7 A8 L41S2-L4 PolarHBondContact O-N 2.82Å; L4-I7 PolarHBondContact O-N 3.01Å; L4-A8 PolarHBondContact O-N 2.77Å; L4-L41 HydrophobicContact CD2-CD1 3.93Å
5A84.1Confident85Confident41 Ų4168 Ų6834%0.33938%0.381SS..Hα-helixtrans-65.2-40.3175.900000112S2 I3 I7 A8 E9S2-A5 PolarHBondContact O-N 2.85Å; S2-A5 WeakPolarHBondContact OG-CB 3.25Å; S2-A5 PolarHBondContact OG-N 3.29Å; I3-A5 PolarHBondContact O-N 3.07Å; A5-I7 VanDerWaalsContact C-N 3.33Å; A5-I7 PolarHBondContact O-N 3.33Å; A5-A8 PolarHBondContact O-N 2.94Å; A5-E9 WeakPolarHBondContact O-CB 3.34Å; A5-E9 PolarHBondContact O-N 2.81Å
6K87.1Confident85.4Confident95 Ų9575.4 Ų75.441%0.41340%0.401SS..Hα-helixtrans-64.5-37.8175.4-66.5-177178.5-174.50112.4M1 S2 I3 I10 L37M1-K6 HydrophobicContact CB-CG 4.3Å; S2-K6 PolarHBondContact O-N 3.42Å; I3-K6 PolarHBondContact O-N 2.97Å; K6-I10 WeakPolarHBondContact O-CG1 3.49Å; K6-I10 PolarHBondContact O-N 2.92Å; K6-I10 VanDerWaalsContact O-N 3.13Å; K6-L37 HydrophobicContact CB-CD1 3.89Å; K6-L37 HydrophobicContact CD-CD2 4.47Å
7I86.4Confident85.6Confident13 Ų1372.8 Ų72.87%0.06739%0.388CS..Hα-helixtrans-62.6-50.4174.8-73.3169.1000109.9I3 L4 A5 E9 I10 E11 L34 L37 R38 L41I3-I7 HydrophobicContact CG2-CD1 4.05Å; I3-I7 WeakPolarHBondContact O-CG1 3.22Å; I3-I7 PolarHBondContact O-N 3.42Å; L4-I7 PolarHBondContact O-N 3.01Å; A5-I7 VanDerWaalsContact C-N 3.33Å; A5-I7 PolarHBondContact O-N 3.33Å; I7-E9 VanDerWaalsContact C-N 3.3Å; I7-E9 PolarHBondContact O-N 2.72Å; I7-I10 PolarHBondContact O-N 2.71Å; I7-E11 HydrophobicContact CG2-CG 4.39Å; I7-E11 WeakPolarHBondContact CG2-OE1 3.47Å; I7-E11 WeakPolarHBondContact O-CG 3.38Å; I7-E11 PolarHBondContact O-N 3.43Å; I7-L34 HydrophobicContact CB-CD1 4.39Å; I7-L34 HydrophobicContact CG1-CD1 4.34Å; I7-L34 HydrophobicContact CG2-CD1 3.81Å; I7-L37 HydrophobicContact CD1-CB 4.14Å; I7-L37 HydrophobicContact CG1-CB 3.78Å; I7-L37 HydrophobicContact CG1-CD1 4.1Å; I7-R38 HydrophobicContact CD1-CG 4.28Å; I7-L41 HydrophobicContact CD1-CD1 3.47Å; I7-L41 VanDerWaalsContact CD1-CD1 3.47Å; I7-L41 HydrophobicContact CD1-CG 4.31Å
8A86.6Confident85.7Confident41 Ų4176.9 Ų76.934%0.33941%0.405SS..Hα-helixtrans-61.7-37.4179.500000112.5L4 A5 E11 N12L4-A8 PolarHBondContact O-N 2.77Å; A5-A8 PolarHBondContact O-N 2.94Å; A8-E11 PolarHBondContact O-N 3.44Å; A8-N12 WeakPolarHBondContact O-CB 3.49Å; A8-N12 PolarHBondContact O-N 3.1Å; A8-N12 PolarHBondContact O-ND2 3.24Å
9E91.6Very high85.6Confident107 Ų10782 Ų8250%0.542%0.423SS..Hα-helixtrans-62.1-46.8175.4-173.1178.8-172.200111.8A5 I7 N12 E13A5-E9 WeakPolarHBondContact O-CB 3.34Å; A5-E9 PolarHBondContact O-N 2.81Å; I7-E9 VanDerWaalsContact C-N 3.3Å; I7-E9 PolarHBondContact O-N 2.72Å; E9-N12 PolarHBondContact O-N 2.97Å; E9-E13 WeakPolarHBondContact O-CB 3.47Å; E9-E13 PolarHBondContact O-N 2.91Å
10I90.2Very high85.5Confident18 Ų1882.7 Ų82.79%0.09243%0.428CS..Hα-helixtrans-65.5-41.2177.3-68.3168.1000111.1K6 I7 E13 M14 L30 R33 L34 L37K6-I10 WeakPolarHBondContact O-CG1 3.49Å; K6-I10 PolarHBondContact O-N 2.92Å; K6-I10 VanDerWaalsContact O-N 3.13Å; I7-I10 PolarHBondContact O-N 2.71Å; I10-E13 PolarHBondContact O-N 3.29Å; I10-M14 HydrophobicContact CG2-CG 4.37Å; I10-M14 HydrophobicContact CG2-SD 4.05Å; I10-M14 WeakPolarHBondContact O-CB 3.49Å; I10-M14 VanDerWaalsContact O-CG 3.3Å; I10-M14 WeakPolarHBondContact O-CG 3.14Å; I10-M14 PolarHBondContact O-N 3.05Å; I10-L30 HydrophobicContact CG2-CB 4.08Å; I10-L30 HydrophobicContact CG2-CD2 4.22Å; I10-R33 HydrophobicContact CD1-CB 4Å; I10-L34 HydrophobicContact CG2-CB 4.11Å; I10-L34 HydrophobicContact CG2-CD1 4.46Å; I10-L37 HydrophobicContact CD1-CD1 3.63Å
11E88.2Confident85.1Confident63 Ų6386.8 Ų86.829%0.29444%0.442SS..Hα-helixtrans-63.2-43.5177.5-74.9173.8175.100111.6I7 A8 E13 M14 A15 L34 R38I7-E11 HydrophobicContact CG2-CG 4.39Å; I7-E11 WeakPolarHBondContact CG2-OE1 3.47Å; I7-E11 WeakPolarHBondContact O-CG 3.38Å; I7-E11 PolarHBondContact O-N 3.43Å; A8-E11 PolarHBondContact O-N 3.44Å; E11-E13 VanDerWaalsContact C-N 3.33Å; E11-E13 PolarHBondContact O-N 3.23Å; E11-M14 PolarHBondContact O-N 3.21Å; E11-A15 WeakPolarHBondContact O-CB 3.37Å; E11-A15 PolarHBondContact O-N 2.89Å; E11-L34 HydrophobicContact CG-CD1 4.12Å; E11-L34 HydrophobicContact CG-CD2 4.44Å; E11-R38 IonicContact OE1-CZ 2.93Å; E11-R38 IonicContact OE1-NE 2.92Å; E11-R38 IonicContact OE1-NH2 3.75Å; E11-R38 PolarHBondContact OE1-NH2 3.45Å
12N89.9Confident86.1Confident113 Ų11382.9 Ų82.960%0.60444%0.438SS*.Hα-helixtrans-64.4-39.2174.8-72-24.9000111.7A8 E9 A15 R16A8-N12 WeakPolarHBondContact O-CB 3.49Å; A8-N12 PolarHBondContact O-N 3.1Å; A8-N12 PolarHBondContact O-ND2 3.24Å; E9-N12 PolarHBondContact O-N 2.97Å; N12-A15 PolarHBondContact O-N 2.86Å; N12-R16 WeakPolarHBondContact O-CG 3.39Å; N12-R16 PolarHBondContact O-N 3.34Å; N12-R16 VanDerWaalsContact O-N 3.14Å
13E91.6Very high86.2Confident44 Ų4481.1 Ų81.121%0.20642%0.424CS..Hα-helixtrans-63.9-44.5174.9-178.3170.9-167.100111.8E9 I10 E11 A15 R16 T17 H26 L30E9-E13 WeakPolarHBondContact O-CB 3.47Å; E9-E13 PolarHBondContact O-N 2.91Å; I10-E13 PolarHBondContact O-N 3.29Å; E11-E13 VanDerWaalsContact C-N 3.33Å; E11-E13 PolarHBondContact O-N 3.23Å; E13-A15 VanDerWaalsContact C-N 3.3Å; E13-A15 PolarHBondContact O-N 3.43Å; E13-R16 WeakPolarHBondContact O-CG 3.4Å; E13-R16 PolarHBondContact O-N 3.03Å; E13-R16 IonicContact OE1-NH2 2.71Å; E13-T17 PolarHBondContact O-N 3.03Å; E13-T17 PolarHBondContact O-OG1 3.01Å; E13-H26 IonicContact OE1-CD2 3.82Å; E13-H26 IonicContact OE1-CE1 3.63Å; E13-H26 IonicContact OE1-NE2 3.74Å; E13-H26 PolarHBondContact OE1-NE2 2.92Å; E13-L30 HydrophobicContact CB-CD1 4.36Å; E13-L30 HydrophobicContact CG-CD1 3.73Å
14M88.9Confident86.1Confident48 Ų4881 Ų8124%0.23643%0.428CS..Hα-helixtrans-64-35.6175.7-72.4178.462.600112.2I10 E11 L27 L30 K31 L34I10-M14 HydrophobicContact CG2-CG 4.37Å; I10-M14 HydrophobicContact CG2-SD 4.05Å; I10-M14 WeakPolarHBondContact O-CB 3.49Å; I10-M14 VanDerWaalsContact O-CG 3.3Å; I10-M14 WeakPolarHBondContact O-CG 3.14Å; I10-M14 PolarHBondContact O-N 3.05Å; E11-M14 PolarHBondContact O-N 3.21Å; M14-L27 HydrophobicContact CG-CD2 4.34Å; M14-L30 HydrophobicContact CG-CB 3.81Å; M14-L30 HydrophobicContact CG-CD1 3.74Å; M14-L30 HydrophobicContact CG-CG 4.43Å; M14-L30 HydrophobicContact SD-CB 4.02Å; M14-K31 HydrophobicContact CE-CG 3.62Å; M14-K31 HydrophobicContact SD-CG 4.41Å; M14-L34 HydrophobicContact SD-CD2 4.22Å
15A89.3Confident86.3Confident85 Ų8580 Ų8070%0.70242%0.422SS*.Hα-helixtrans-69.2-34.6179.700000113.1E11 N12 E13E11-A15 WeakPolarHBondContact O-CB 3.37Å; E11-A15 PolarHBondContact O-N 2.89Å; N12-A15 PolarHBondContact O-N 2.86Å; E13-A15 VanDerWaalsContact C-N 3.3Å; E13-A15 PolarHBondContact O-N 3.43Å
16R91.4Very high86.5Confident187 Ų18781.3 Ų81.371%0.70642%0.421SS*.Hα-helixtrans-80.1-24.2177.266.1178.3-176.4-171.3-1.5113.6N12 E13N12-R16 WeakPolarHBondContact O-CG 3.39Å; N12-R16 PolarHBondContact O-N 3.34Å; N12-R16 VanDerWaalsContact O-N 3.14Å; E13-R16 WeakPolarHBondContact O-CG 3.4Å; E13-R16 PolarHBondContact O-N 3.03Å; E13-R16 IonicContact OE1-NH2 2.71Å
17T89.2Confident86.4Confident30 Ų3077.6 Ų77.618%0.18441%0.406CS..SBendtrans-83.2121-174.8-62.10000111.3E13 T23 L27E13-T17 PolarHBondContact O-N 3.03Å; E13-T17 PolarHBondContact O-OG1 3.01Å; T17-T23 HydrophobicContact CG2-CG2 3.9Å; T17-L27 HydrophobicContact CG2-CD1 4.46Å; T17-L27 HydrophobicContact CG2-CD2 4.02Å; T17-L27 HydrophobicContact CG2-CG 4.18Å
18Q87.4Confident86.3Confident148 Ų14877.1 Ų77.169%0.69240%0.404SS*.  trans-69.9144.1173-66.8-176.3-2.900111.5N20 T23Q18-N20 PolarHBondContact O-N 3.46Å; Q18-T23 WeakPolarHBondContact O-CB 3.41Å; Q18-T23 PolarHBondContact O-OG1 3Å
19K83.3Confident86.4Confident173 Ų17376.7 Ų76.775%0.75240%0.396SS*.  trans-86.196.2-178.7-65.3-174.9177.4-178.60111.5L27K19-L27 HydrophobicContact CB-CD1 4.31Å; K19-L27 HydrophobicContact CG-CD1 3.78Å
20N84.6Confident86.3Confident96 Ų9671.7 Ų71.751%0.51337%0.372SS..  trans-132.5168.3177.6-62.5-9.4000109.8Q18 A22 T23 A24Q18-N20 PolarHBondContact O-N 3.46Å; N20-A22 PolarHBondContact O-N 3.16Å; N20-T23 PolarHBondContact N-OG1 3.19Å; N20-T23 CarbonylContact O-C 3.47Å; N20-T23 PolarHBondContact O-N 3.06Å; N20-T23 PolarHBondContact O-OG1 3.03Å; N20-T23 VanDerWaalsContact O-OG1 3.06Å; N20-A24 PolarHBondContact O-N 3.3Å
21K77.4Confident86.2Confident169 Ų16972.6 Ų72.674%0.73538%0.376SS*.Hα-helixtrans-54.3-39.1179.8-169.2173-176.6174.90113.3T23K21-T23 VanDerWaalsContact C-N 3.34Å; K21-T23 PolarHBondContact O-N 3.1Å
22A80.5Confident86.1Confident92 Ų9269.6 Ų69.676%0.7636%0.362SS*.Hα-helixtrans-68.9-29178.200000113.8N20N20-A22 PolarHBondContact O-N 3.16Å
23T83.1Confident86.1Confident37 Ų3769.2 Ų69.223%0.22735%0.351CS..Hα-helixtrans-99.5-11.4-177.154.50000112.9T17 Q18 N20 K21 H25 H26 L27T17-T23 HydrophobicContact CG2-CG2 3.9Å; Q18-T23 WeakPolarHBondContact O-CB 3.41Å; Q18-T23 PolarHBondContact O-OG1 3Å; N20-T23 PolarHBondContact N-OG1 3.19Å; N20-T23 CarbonylContact O-C 3.47Å; N20-T23 PolarHBondContact O-N 3.06Å; N20-T23 PolarHBondContact O-OG1 3.03Å; N20-T23 VanDerWaalsContact O-OG1 3.06Å; K21-T23 VanDerWaalsContact C-N 3.34Å; K21-T23 PolarHBondContact O-N 3.1Å; T23-H25 VanDerWaalsContact C-N 3.31Å; T23-H25 PolarHBondContact O-N 2.95Å; T23-H26 PolarHBondContact O-N 3.44Å; T23-H26 VanDerWaalsContact O-N 3.16Å; T23-L27 WeakPolarHBondContact O-CB 3.26Å; T23-L27 WeakPolarHBondContact O-CG 3.23Å; T23-L27 PolarHBondContact O-N 3.37Å
24A79.4Confident85.9Confident35 Ų3567.9 Ų67.929%0.28935%0.346SS..Hα-helixtrans-56.3-42.5-179.700000112.5N20 L27 G28N20-A24 PolarHBondContact O-N 3.3Å; A24-L27 PolarHBondContact O-N 2.6Å; A24-G28 PolarHBondContact O-N 2.82Å
25H82.9Confident85.8Confident45 Ų4566 Ų6621%0.20834%0.338CS..Hα-helixtrans-65.3-44.1177.2-53.6-57000112.3T23 G28 L29 E202 T203T23-H25 VanDerWaalsContact C-N 3.31Å; T23-H25 PolarHBondContact O-N 2.95Å; H25-G28 PolarHBondContact O-N 2.97Å; H25-L29 PolarHBondContact O-N 3.1Å; H25-E202 IonicContact CE1-OE2 3.96Å; H25-E202 IonicContact NE2-OE2 3.51Å; H25-T203 PolarHBondContact CE1-OG1 3.07Å; H25-T203 PolarHBondContact ND1-OG1 3.49Å
26H86.8Confident85.6Confident69 Ų6964.3 Ų64.332%0.31932%0.315SS..Hα-helixtrans-63.8-43.4176.9-173.756.5000111.3E13 T23 G28 L29 L30E13-H26 IonicContact OE1-CD2 3.82Å; E13-H26 IonicContact OE1-CE1 3.63Å; E13-H26 IonicContact OE1-NE2 3.74Å; E13-H26 PolarHBondContact OE1-NE2 2.92Å; T23-H26 PolarHBondContact O-N 3.44Å; T23-H26 VanDerWaalsContact O-N 3.16Å; H26-G28 VanDerWaalsContact C-N 3.33Å; H26-G28 PolarHBondContact O-N 2.94Å; H26-L29 WeakPolarHBondContact O-CB 3.48Å; H26-L29 PolarHBondContact O-N 2.96Å; H26-L30 WeakPolarHBondContact O-CG 3.48Å; H26-L30 PolarHBondContact O-N 3.32Å
27L86.2Confident85.4Confident17 Ų1756.5 Ų56.59%0.08929%0.287CS..Hα-helixtrans-62.9-39.5175.5-72.7171.7000111.9M14 T17 K19 T23 A24 L29 L30 K31M14-L27 HydrophobicContact CG-CD2 4.34Å; T17-L27 HydrophobicContact CG2-CD1 4.46Å; T17-L27 HydrophobicContact CG2-CD2 4.02Å; T17-L27 HydrophobicContact CG2-CG 4.18Å; K19-L27 HydrophobicContact CB-CD1 4.31Å; K19-L27 HydrophobicContact CG-CD1 3.78Å; T23-L27 WeakPolarHBondContact O-CB 3.26Å; T23-L27 WeakPolarHBondContact O-CG 3.23Å; T23-L27 PolarHBondContact O-N 3.37Å; A24-L27 PolarHBondContact O-N 2.6Å; L27-L29 VanDerWaalsContact C-N 3.33Å; L27-L29 PolarHBondContact O-N 3.04Å; L27-L30 PolarHBondContact O-N 2.81Å; L27-K31 WeakPolarHBondContact O-CB 3.44Å; L27-K31 VanDerWaalsContact O-CG 3.25Å; L27-K31 WeakPolarHBondContact O-CG 3.42Å; L27-K31 PolarHBondContact O-N 3.21Å
28G83.9Confident85.1Confident3 Ų357.2 Ų57.23%0.03129%0.286CS..Hα-helixtrans-60.4-41.7172.900000112.5A24 H25 H26 K31 A32A24-G28 PolarHBondContact O-N 2.82Å; H25-G28 PolarHBondContact O-N 2.97Å; H26-G28 VanDerWaalsContact C-N 3.33Å; H26-G28 PolarHBondContact O-N 2.94Å; G28-K31 PolarHBondContact O-N 2.87Å; G28-A32 WeakPolarHBondContact O-CB 2.84Å; G28-A32 PolarHBondContact O-N 3.04Å
29L88.1Confident84.8Confident32 Ų3254.5 Ų54.517%0.16827%0.27CS..Hα-helixtrans-64-46.9174.8-178.265.5000112.1H25 H26 L27 K31 A32 R33 T206 E210H25-L29 PolarHBondContact O-N 3.1Å; H26-L29 WeakPolarHBondContact O-CB 3.48Å; H26-L29 PolarHBondContact O-N 2.96Å; L27-L29 VanDerWaalsContact C-N 3.33Å; L27-L29 PolarHBondContact O-N 3.04Å; L29-K31 VanDerWaalsContact C-N 3.33Å; L29-K31 PolarHBondContact O-N 3.29Å; L29-A32 PolarHBondContact O-N 2.53Å; L29-R33 WeakPolarHBondContact O-CG 3.28Å; L29-R33 PolarHBondContact O-N 2.87Å; L29-T206 HydrophobicContact CB-CG2 3.97Å; L29-T206 HydrophobicContact CD1-CG2 4.19Å; L29-E210 HydrophobicContact CD1-CB 3.9Å; L29-E210 HydrophobicContact CD1-CG 4.14Å; L29-E210 WeakPolarHBondContact CD1-OE2 3.38Å
30L90.8Very high84.7Confident1 Ų149.9 Ų49.91%0.00525%0.251CS..Hα-helixtrans-61.1-42.2177.9-69.2178.8000111.4I10 E13 M14 H26 L27 R33 L34I10-L30 HydrophobicContact CG2-CB 4.08Å; I10-L30 HydrophobicContact CG2-CD2 4.22Å; E13-L30 HydrophobicContact CB-CD1 4.36Å; E13-L30 HydrophobicContact CG-CD1 3.73Å; M14-L30 HydrophobicContact CG-CB 3.81Å; M14-L30 HydrophobicContact CG-CD1 3.74Å; M14-L30 HydrophobicContact CG-CG 4.43Å; M14-L30 HydrophobicContact SD-CB 4.02Å; H26-L30 WeakPolarHBondContact O-CG 3.48Å; H26-L30 PolarHBondContact O-N 3.32Å; L27-L30 PolarHBondContact O-N 2.81Å; L30-R33 PolarHBondContact O-N 2.86Å; L30-L34 VanDerWaalsContact O-CB 3.31Å; L30-L34 WeakPolarHBondContact O-CB 3.23Å; L30-L34 PolarHBondContact O-N 2.89Å
31K87.6Confident84.3Confident38 Ų3846.7 Ų46.717%0.16523%0.234CC..Hα-helixtrans-60.1-46.5174.2-76174.6162.4-143.50112.3M14 L27 G28 L29 R33 L34 A35 A226 D227 I230M14-K31 HydrophobicContact CE-CG 3.62Å; M14-K31 HydrophobicContact SD-CG 4.41Å; L27-K31 WeakPolarHBondContact O-CB 3.44Å; L27-K31 VanDerWaalsContact O-CG 3.25Å; L27-K31 WeakPolarHBondContact O-CG 3.42Å; L27-K31 PolarHBondContact O-N 3.21Å; G28-K31 PolarHBondContact O-N 2.87Å; L29-K31 VanDerWaalsContact C-N 3.33Å; L29-K31 PolarHBondContact O-N 3.29Å; K31-R33 PolarHBondContact O-N 3.13Å; K31-L34 PolarHBondContact O-N 2.92Å; K31-A35 WeakPolarHBondContact O-CB 3.35Å; K31-A35 PolarHBondContact O-N 2.86Å; K31-A226 HydrophobicContact CD-CB 4.34Å; K31-D227 VanDerWaalsContact CD-OD1 3.28Å; K31-D227 WeakPolarHBondContact CD-OD1 3.39Å; K31-D227 WeakPolarHBondContact CE-OD1 3.35Å; K31-D227 IonicContact NZ-OD1 3.87Å; K31-D227 PolarHBondContact NZ-OD1 2.89Å; K31-D227 IonicContact NZ-OD2 3.51Å; K31-D227 PolarHBondContact NZ-OD2 3.16Å; K31-I230 HydrophobicContact CB-CD1 3.7Å
32A86.9Confident83.9Confident0 Ų040.3 Ų40.30%021%0.207CC..Hα-helixtrans-61.9-42.4177.400000112G28 L29 K36 I207 E210 Y211 I230G28-A32 WeakPolarHBondContact O-CB 2.84Å; G28-A32 PolarHBondContact O-N 3.04Å; L29-A32 PolarHBondContact O-N 2.53Å; A32-K36 WeakPolarHBondContact O-CB 3.32Å; A32-K36 PolarHBondContact O-N 3.01Å; A32-K36 VanDerWaalsContact O-N 3.1Å; A32-I207 HydrophobicContact CB-CG2 4.25Å; A32-E210 HydrophobicContact CB-CB 4.18Å; A32-E210 HydrophobicContact CB-CG 4.04Å; A32-Y211 HydrophobicContact CB-CE2 3.86Å; A32-Y211 PolarHBondContact O-OH 2.81Å; A32-I230 HydrophobicContact CB-CD1 4.37Å
33R88.6Confident83.3Confident104 Ų10438.6 Ų38.639%0.39219%0.187SC..Hα-helixtrans-64.4-43.9175.2-73.7179.1179.3175.82.2112.3I10 L29 L30 K31 K36 L37 E210I10-R33 HydrophobicContact CD1-CB 4Å; L29-R33 WeakPolarHBondContact O-CG 3.28Å; L29-R33 PolarHBondContact O-N 2.87Å; L30-R33 PolarHBondContact O-N 2.86Å; K31-R33 PolarHBondContact O-N 3.13Å; R33-K36 PolarHBondContact O-N 3.37Å; R33-L37 WeakPolarHBondContact O-CG 3.38Å; R33-L37 PolarHBondContact O-N 3.07Å; R33-E210 VanDerWaalsContact CG-CD 3.46Å; R33-E210 HydrophobicContact CG-CG 3.83Å; R33-E210 WeakPolarHBondContact CG-OE2 3.48Å; R33-E210 IonicContact CZ-OE2 3.59Å; R33-E210 IonicContact NE-OE2 2.7Å; R33-E210 PolarHBondContact NE-OE2 2.96Å; R33-E210 IonicContact NH2-OE2 3.61Å
34L88.3Confident82.1Confident16 Ų1642.5 Ų42.58%0.08421%0.213CC..Hα-helixtrans-59.7-47.6177.9-178.264.8000111I7 I10 E11 M14 L30 K31 K36 L37 R38I7-L34 HydrophobicContact CB-CD1 4.39Å; I7-L34 HydrophobicContact CG1-CD1 4.34Å; I7-L34 HydrophobicContact CG2-CD1 3.81Å; I10-L34 HydrophobicContact CG2-CB 4.11Å; I10-L34 HydrophobicContact CG2-CD1 4.46Å; E11-L34 HydrophobicContact CG-CD1 4.12Å; E11-L34 HydrophobicContact CG-CD2 4.44Å; M14-L34 HydrophobicContact SD-CD2 4.22Å; L30-L34 VanDerWaalsContact O-CB 3.31Å; L30-L34 WeakPolarHBondContact O-CB 3.23Å; L30-L34 PolarHBondContact O-N 2.89Å; K31-L34 PolarHBondContact O-N 2.92Å; L34-K36 VanDerWaalsContact C-N 3.35Å; L34-K36 PolarHBondContact O-N 3.18Å; L34-L37 PolarHBondContact O-N 2.84Å; L34-R38 HydrophobicContact CD1-CG 4.46Å; L34-R38 WeakPolarHBondContact O-CB 3.32Å; L34-R38 WeakPolarHBondContact O-CG 3.41Å; L34-R38 PolarHBondContact O-N 2.87Å
35A85.5Confident80.7Confident10 Ų1049 Ų498%0.08324%0.235CC..Hα-helixtrans-61.5-42.5179.300000112K31 L37 R38 R39 I230 E234K31-A35 WeakPolarHBondContact O-CB 3.35Å; K31-A35 PolarHBondContact O-N 2.86Å; A35-L37 PolarHBondContact O-N 2.98Å; A35-R38 PolarHBondContact O-N 2.84Å; A35-R39 WeakPolarHBondContact O-CB 3.5Å; A35-R39 PolarHBondContact O-N 2.95Å; A35-I230 HydrophobicContact CB-CG2 3.51Å; A35-E234 WeakPolarHBondContact CB-OE1 3.25Å
36K86.6Confident78.7Confident49 Ų4950.7 Ų50.721%0.21327%0.265CS..Hα-helixtrans-61.2-44.4174.9-174.5177.3177.3178.50113A32 R33 L34 R39 E40 E210 E234A32-K36 WeakPolarHBondContact O-CB 3.32Å; A32-K36 PolarHBondContact O-N 3.01Å; A32-K36 VanDerWaalsContact O-N 3.1Å; R33-K36 PolarHBondContact O-N 3.37Å; L34-K36 VanDerWaalsContact C-N 3.35Å; L34-K36 PolarHBondContact O-N 3.18Å; K36-R39 WeakPolarHBondContact O-CB 3.3Å; K36-R39 PolarHBondContact O-N 2.92Å; K36-E40 PolarHBondContact O-N 3.44Å; K36-E40 VanDerWaalsContact O-N 3.13Å; K36-E210 PolarHBondContact NZ-O 3.46Å; K36-E210 IonicContact NZ-OE1 2.83Å; K36-E210 PolarHBondContact NZ-OE1 3.35Å; K36-E234 PolarHBondContact N-OE1 3.03Å
37L86.8Confident76.1Confident22 Ų2250.6 Ų50.612%0.11528%0.282CS..Hα-helixtrans-67.2-41.1176.6-70.2172.7000112.1I3 K6 I7 I10 R33 L34 A35 R39 E40 L41I3-L37 HydrophobicContact CG2-CB 4.46Å; I3-L37 HydrophobicContact CG2-CD2 4.37Å; K6-L37 HydrophobicContact CB-CD1 3.89Å; K6-L37 HydrophobicContact CD-CD2 4.47Å; I7-L37 HydrophobicContact CD1-CB 4.14Å; I7-L37 HydrophobicContact CG1-CB 3.78Å; I7-L37 HydrophobicContact CG1-CD1 4.1Å; I10-L37 HydrophobicContact CD1-CD1 3.63Å; R33-L37 WeakPolarHBondContact O-CG 3.38Å; R33-L37 PolarHBondContact O-N 3.07Å; L34-L37 PolarHBondContact O-N 2.84Å; A35-L37 PolarHBondContact O-N 2.98Å; L37-R39 VanDerWaalsContact C-N 3.32Å; L37-R39 PolarHBondContact O-N 3.37Å; L37-E40 WeakPolarHBondContact O-CB 3.46Å; L37-E40 PolarHBondContact O-N 3.21Å; L37-L41 PolarHBondContact O-N 3.48Å
38R82.8Confident73.6Confident45 Ų4556.1 Ų56.117%0.1732%0.322CS..Hα-helixtrans-62.2-40.1175-75.3176.7172.6-168.1-6.9111.1I7 E11 L34 A35 E40 L41 I42 H162 G166I7-R38 HydrophobicContact CD1-CG 4.28Å; E11-R38 IonicContact OE1-CZ 2.93Å; E11-R38 IonicContact OE1-NE 2.92Å; E11-R38 IonicContact OE1-NH2 3.75Å; E11-R38 PolarHBondContact OE1-NH2 3.45Å; L34-R38 HydrophobicContact CD1-CG 4.46Å; L34-R38 WeakPolarHBondContact O-CB 3.32Å; L34-R38 WeakPolarHBondContact O-CG 3.41Å; L34-R38 PolarHBondContact O-N 2.87Å; A35-R38 PolarHBondContact O-N 2.84Å; R38-E40 PolarHBondContact O-N 3.13Å; R38-L41 WeakPolarHBondContact O-CB 3.31Å; R38-L41 PolarHBondContact O-N 3.28Å; R38-L41 VanDerWaalsContact O-N 3.16Å; R38-I42 WeakPolarHBondContact O-CG1 3.49Å; R38-I42 PolarHBondContact O-N 2.89Å; R38-H162 PolarHBondContact NH2-NE2 3.17Å; R38-G166 WeakPolarHBondContact CD-O 3.16Å
39R80.8Confident71.2Confident92 Ų9258.9 Ų58.935%0.34735%0.35SS..Hα-helixtrans-60.1-43173.2-175.9-177.264.9127.95.8112.4A35 K36 L37 L41 I42 T43A35-R39 WeakPolarHBondContact O-CB 3.5Å; A35-R39 PolarHBondContact O-N 2.95Å; K36-R39 WeakPolarHBondContact O-CB 3.3Å; K36-R39 PolarHBondContact O-N 2.92Å; L37-R39 VanDerWaalsContact C-N 3.32Å; L37-R39 PolarHBondContact O-N 3.37Å; R39-L41 PolarHBondContact O-N 2.94Å; R39-I42 PolarHBondContact O-N 2.96Å; R39-T43 HydrophobicContact CG-CG2 4.23Å; R39-T43 PolarHBondContact O-N 3.13Å; R39-T43 PolarHBondContact O-OG1 3.38Å; R39-T43 VanDerWaalsContact O-OG1 3.09Å
40E81.6Confident68.8Low75 Ų7561.8 Ų61.835%0.3539%0.388SS..Hα-helixtrans-61.4-25.9177.2-74.1177.7-165.600113.3K36 L37 R38K36-E40 PolarHBondContact O-N 3.44Å; K36-E40 VanDerWaalsContact O-N 3.13Å; L37-E40 WeakPolarHBondContact O-CB 3.46Å; L37-E40 PolarHBondContact O-N 3.21Å; R38-E40 PolarHBondContact O-N 3.13Å
41L75.3Confident66Low30 Ų3065.7 Ų65.716%0.15742%0.421CS..Hα-helixtrans-74.3-29.4173.1-67.9176.6000113I3 L4 I7 L37 R38 R39 R132I3-L41 HydrophobicContact CB-CD2 4.2Å; I3-L41 HydrophobicContact CG2-CD1 4.46Å; I3-L41 HydrophobicContact CG2-CD2 3.75Å; I3-L41 HydrophobicContact CG2-CG 3.92Å; L4-L41 HydrophobicContact CD2-CD1 3.93Å; I7-L41 HydrophobicContact CD1-CD1 3.47Å; I7-L41 VanDerWaalsContact CD1-CD1 3.47Å; I7-L41 HydrophobicContact CD1-CG 4.31Å; L37-L41 PolarHBondContact O-N 3.48Å; R38-L41 WeakPolarHBondContact O-CB 3.31Å; R38-L41 PolarHBondContact O-N 3.28Å; R38-L41 VanDerWaalsContact O-N 3.16Å; R39-L41 PolarHBondContact O-N 2.94Å; L41-R132 WeakPolarHBondContact O-CD 3.36Å; L41-R132 PolarHBondContact O-NE 3.38Å
42I69.1Low63.6Low35 Ų3570.6 Ų70.618%0.17945%0.454CS..Hα-helixtrans-88.6-40.9-175.8-59.6162.8000110.8R38 R39 P44 R139 F167R38-I42 WeakPolarHBondContact O-CG1 3.49Å; R38-I42 PolarHBondContact O-N 2.89Å; R39-I42 PolarHBondContact O-N 2.96Å; I42-P44 WeakPolarHBondContact O-CD 3.32Å; I42-R139 VanDerWaalsContact CG2-NH1 3.29Å; I42-F167 WeakPolarHBondContact CD1-O 3.41Å
43T68Low61.1Low56 Ų5673.8 Ų73.834%0.34449%0.487SS..SBendtrans-67.5122.8177.6470000109.7R39 K45R39-T43 HydrophobicContact CG-CG2 4.23Å; R39-T43 PolarHBondContact O-N 3.13Å; R39-T43 PolarHBondContact O-OG1 3.38Å; R39-T43 VanDerWaalsContact O-OG1 3.09Å; T43-K45 PolarHBondContact O-N 3.4Å
44P58.2Low58.5Low118 Ų11877.4 Ų77.477%0.76651%0.508SS*.  trans-59.2128171.523.8-30.3000108I42 G46I42-P44 WeakPolarHBondContact O-CD 3.32Å; P44-G46 PolarHBondContact O-N 3.41Å
45K50.5Low56.2Low173 Ų17379.6 Ų79.675%0.75253%0.534SS*.  trans-62.3104.5171.1-76.2-172.3175-175.50106.9T43 G47T43-K45 PolarHBondContact O-N 3.4Å; K45-G47 PolarHBondContact O-N 3.43Å; K45-G47 VanDerWaalsContact O-N 3.13Å
46G40.3Very low54.3Low80 Ų8081.3 Ų81.383%0.82554%0.54SS*.  trans-59.9114.3-177.700000110.9P44P44-G46 PolarHBondContact O-N 3.41Å
47G32.4Very low52.6Low66 Ų6685.3 Ų85.368%0.6856%0.564SS**  trans-88.1121.914500000107.4K45 G49K45-G47 PolarHBondContact O-N 3.43Å; K45-G47 VanDerWaalsContact O-N 3.13Å; G47-G49 PolarHBondContact O-N 3.06Å
48S34Very low51.3Low133 Ų13385.6 Ų85.693%0.9357%0.566SS**SBendtrans-59.9101.3161.349.80000108.4
49G32.5Very low50.4Low61 Ų6186.6 Ų86.663%0.62958%0.584SS**SBendtrans158.611417900000110G47 A51G47-G49 PolarHBondContact O-N 3.06Å; G49-A51 PolarHBondContact O-N 2.9Å
50G38.3Very low49.8Very low94 Ų9488 Ų8897%0.96959%0.593SS**  trans-58.4104.9170.700000109.8
51A31Very low49.3Very low83 Ų8387.5 Ų87.569%0.68660%0.595SS**  trans-16198.8161.800000107.1G49 G53G49-A51 PolarHBondContact O-N 2.9Å; A51-G53 PolarHBondContact O-N 3.13Å
52T37.2Very low49.4Very low141 Ų14187.3 Ų87.387%0.86560%0.601SS**  trans-2.390.4148.5500000114.6E54T52-E54 PolarHBondContact O-N 3.06Å
53G34.7Very low50.1Low66 Ų6686.9 Ų86.968%0.6860%0.598SS**  trans-60.8129.714000000105.5A51 G55A51-G53 PolarHBondContact O-N 3.13Å; G53-G55 WeakPolarHBondContact O-CA 3.37Å; G53-G55 PolarHBondContact O-N 2.84Å
54E35Very low51.1Low181 Ų18184.2 Ų84.285%0.84658%0.582SS**  trans-48.995.7176.7-74.9-177.7155.500108.6T52 F56 Q133T52-E54 PolarHBondContact O-N 3.06Å; E54-F56 PolarHBondContact O-N 2.89Å; E54-Q133 PolarHBondContact O-NE2 3.21Å
55G38.8Very low52.6Low61 Ų6179.3 Ų79.363%0.62955%0.548SS*.  trans-80.2117.4-169.700000106.2G53 D57G53-G55 WeakPolarHBondContact O-CA 3.37Å; G53-G55 PolarHBondContact O-N 2.84Å; G55-D57 PolarHBondContact O-N 2.57Å
56F47Very low54.6Low47 Ų4771 Ų7121%0.20651%0.512CS..  trans-69.948.5156.2-149.6-81.6000108.7E54 V58 T99 T100 Q133 V137E54-F56 PolarHBondContact O-N 2.89Å; F56-V58 VanDerWaalsContact C-N 3.27Å; F56-V58 HydrophobicContact CD1-CG2 3.84Å; F56-V58 HydrophobicContact CE1-CG2 3.79Å; F56-V58 PolarHBondContact O-N 3.01Å; F56-V58 VanDerWaalsContact O-N 3.17Å; F56-T99 HydrophobicContact CD2-CG2 3.98Å; F56-T99 HydrophobicContact CE2-CG2 3.49Å; F56-T99 VanDerWaalsContact CE2-CG2 3.49Å; F56-T99 HydrophobicContact CZ-CG2 3.93Å; F56-T100 HydrophobicContact CZ-CG2 4.39Å; F56-Q133 HydrophobicContact CB-CB 3.56Å; F56-Q133 HydrophobicContact CB-CG 3.72Å; F56-Q133 HydrophobicContact CG-CB 4.16Å; F56-V137 HydrophobicContact CD1-CG2 3.84Å; F56-V137 HydrophobicContact CE1-CG2 4.38Å; F56-V137 WeakPolarHBondContact O-CG2 3.48Å
57D51Low57Low133 Ų13367.2 Ų67.271%0.71147%0.473SS*.  trans-85.584.9169.9-164.19.1000105.3G55 A59G55-D57 PolarHBondContact O-N 2.57Å; D57-A59 PolarHBondContact O-N 2.85Å
58V59.2Low59.7Low27 Ų2764.1 Ų64.116%0.16444%0.441CS..  trans-58.6114170.2-178.90000105.5F56 K60 R65 L115 V137F56-V58 VanDerWaalsContact C-N 3.27Å; F56-V58 HydrophobicContact CD1-CG2 3.84Å; F56-V58 HydrophobicContact CE1-CG2 3.79Å; F56-V58 PolarHBondContact O-N 3.01Å; F56-V58 VanDerWaalsContact O-N 3.17Å; V58-K60 PolarHBondContact O-N 3.33Å; V58-R65 PolarHBondContact O-NH2 2.87Å; V58-L115 HydrophobicContact CG1-CD2 3.92Å; V58-V137 HydrophobicContact CG2-CG2 4.46Å
59A62.4Low62.3Low67 Ų6757.8 Ų57.855%0.55440%0.396SS*.  trans-52.7139.4-178.200000110.1D57 T61 R65 Q113D57-A59 PolarHBondContact O-N 2.85Å; A59-T61 PolarHBondContact O-N 3.46Å; A59-R65 VanDerWaalsContact C-NH2 3.33Å; A59-Q113 PolarHBondContact O-NE2 3.47Å
60K69.9Low64.9Low122 Ų12255.2 Ų55.253%0.5337%0.37SS..  trans-69.8108177.6-170.3172.2177.1178.30108.1V58V58-K60 PolarHBondContact O-N 3.33Å
61T69.8Low67.1Low63 Ų6352 Ų5239%0.38733%0.33SS..  trans-110.2135.9173.559.30000108.4A59 Q113A59-T61 PolarHBondContact O-N 3.46Å; T61-Q113 VanDerWaalsContact O-CB 3.31Å; T61-Q113 WeakPolarHBondContact O-CB 3.49Å; T61-Q113 PolarHBondContact O-OE1 2.96Å; T61-Q113 PolarHBondContact OG1-NE2 2.89Å
62G77.4Confident69.5Low27 Ų2751.9 Ų51.928%0.27832%0.322SS..SBendtrans79.3-167.5-177.700000115.3K111G62-K111 CarbonylContact C-O 3.1Å
63D84.8Confident71.6Confident25 Ų2550.5 Ų50.513%0.13432%0.318CS..SBendtrans-94.6-34-169.3-57.3-55.7000112.1K111 V309 K323D63-K111 PolarHBondContact N-O 2.89Å; D63-K111 PolarHBondContact OD2-N 3.23Å; D63-V309 HydrophobicContact CB-CB 3.88Å; D63-V309 HydrophobicContact CB-CG1 3.81Å; D63-K323 IonicContact OD1-NZ 3.43Å; D63-K323 PolarHBondContact OD1-NZ 3.4Å
64A89.4Confident74Confident0 Ų047.5 Ų47.50%029%0.287CS..EExtended strand (participates in β ladder)trans-136.7154.517900000112.7K111 I112 Q113 L288 L290A64-K111 PolarHBondContact N-O 3Å; A64-I112 HydrophobicContact CB-CG2 4.48Å; A64-Q113 PolarHBondContact O-N 2.67Å; A64-L288 HydrophobicContact CB-CD1 3.98Å; A64-L288 HydrophobicContact CB-CD2 3.88Å; A64-L288 HydrophobicContact CB-CG 4.49Å; A64-L290 HydrophobicContact CB-CD1 3.94Å; A64-L290 HydrophobicContact CB-CD2 4.22Å
65R89.7Confident76.3Confident15 Ų1539.7 Ų39.76%0.05726%0.255CS..EExtended strand (participates in β ladder)trans-116130.2174-74.5176.8172.7175.8-3.6111.3V58 A59 Q113 L115 T140 N142 L143V58-R65 PolarHBondContact O-NH2 2.87Å; A59-R65 VanDerWaalsContact C-NH2 3.33Å; R65-Q113 CarbonylContact C-O 3.59Å; R65-Q113 WeakPolarHBondContact CA-O 3.47Å; R65-Q113 HydrophobicContact CG-CB 4.26Å; R65-Q113 VanDerWaalsContact NE-OE1 3.12Å; R65-L115 HydrophobicContact CB-CD1 4.07Å; R65-L115 HydrophobicContact CG-CD1 4.03Å; R65-T140 VanDerWaalsContact NH1-CB 3.27Å; R65-T140 PolarHBondContact NH1-OG1 2.69Å; R65-N142 PolarHBondContact N-OD1 2.85Å; R65-N142 WeakPolarHBondContact O-CB 3.5Å; R65-N142 PolarHBondContact O-N 3.26Å; R65-L143 PolarHBondContact O-N 3.12Å
66V91.9Very high78.5Confident0 Ų037.9 Ų37.90%023%0.229CC..EExtended strand (participates in β ladder)trans-120.2117.7176.7-177.60000109F68 I112 Q113 L114 L115 L143 L145 M284 L288V66-F68 HydrophobicContact CG1-CE2 4.14Å; V66-I112 HydrophobicContact CB-CG2 4.4Å; V66-I112 HydrophobicContact CG2-CG2 3.48Å; V66-I112 VanDerWaalsContact CG2-CG2 3.48Å; V66-Q113 PolarHBondContact N-O 2.94Å; V66-L114 HydrophobicContact CB-CD2 4.1Å; V66-L115 PolarHBondContact O-N 3.36Å; V66-L143 CarbonylContact C-O 3.55Å; V66-L143 WeakPolarHBondContact CA-O 3.14Å; V66-L143 HydrophobicContact CG1-CB 4.46Å; V66-L143 HydrophobicContact CG1-CD2 4.31Å; V66-L143 HydrophobicContact CG1-CG 4.34Å; V66-L143 HydrophobicContact CG2-CB 4.26Å; V66-L143 HydrophobicContact CG2-CD2 4.34Å; V66-L145 HydrophobicContact CG1-CD1 3.74Å; V66-L145 HydrophobicContact CG1-CD2 4.44Å; V66-L145 HydrophobicContact CG1-CG 3.65Å; V66-M284 HydrophobicContact CB-CE 4.35Å; V66-M284 HydrophobicContact CG1-CE 4.01Å; V66-M284 HydrophobicContact CG2-CE 3.95Å; V66-L288 HydrophobicContact CG2-CD1 4.15Å; V66-L288 HydrophobicContact CG2-CD2 4.32Å
67G90.9Very high80.2Confident0 Ų039.2 Ų39.20%024%0.244CC..EExtended strand (participates in β ladder)trans-95.7132.3-179.800000112.3L115 L143 I144 L145G67-L115 CarbonylContact C-O 3.59Å; G67-L115 WeakPolarHBondContact CA-O 3.36Å; G67-L143 PolarHBondContact N-O 3.37Å; G67-I144 CarbonylContact O-C 3.55Å; G67-I144 WeakPolarHBondContact O-CA 3.48Å; G67-L145 PolarHBondContact O-N 2.88Å
68F89.4Confident81.8Confident0 Ų036.1 Ų36.10%023%0.23CC..EExtended strand (participates in β ladder)trans-100125176.4-71.1-112000109.9V66 K76 L79 L80 L83 L114 L115 L117 L145 V147V66-F68 HydrophobicContact CG1-CE2 4.14Å; F68-K76 HydrophobicContact CB-CD 4.17Å; F68-K76 HydrophobicContact CB-CG 4.2Å; F68-L79 HydrophobicContact CD1-CD2 4.24Å; F68-L79 HydrophobicContact CE1-CD2 3.8Å; F68-L79 HydrophobicContact CE1-CG 4.03Å; F68-L80 HydrophobicContact CB-CD1 4.34Å; F68-L80 HydrophobicContact CB-CD2 4.45Å; F68-L80 HydrophobicContact CD1-CD2 3.94Å; F68-L80 HydrophobicContact CD1-CG 3.97Å; F68-L80 HydrophobicContact CD2-CD2 3.42Å; F68-L80 VanDerWaalsContact CD2-CD2 3.42Å; F68-L80 HydrophobicContact CD2-CG 4.26Å; F68-L80 HydrophobicContact CE1-CD2 3.94Å; F68-L80 HydrophobicContact CE1-CG 4.17Å; F68-L80 HydrophobicContact CE2-CD2 3.43Å; F68-L80 VanDerWaalsContact CE2-CD2 3.43Å; F68-L80 HydrophobicContact CE2-CG 4.47Å; F68-L80 HydrophobicContact CG-CD1 4.35Å; F68-L80 HydrophobicContact CG-CD2 3.68Å; F68-L80 HydrophobicContact CG-CG 4Å; F68-L80 HydrophobicContact CZ-CD2 3.68Å; F68-L80 HydrophobicContact CZ-CG 4.41Å; F68-L83 HydrophobicContact CE1-CD1 4.08Å; F68-L83 HydrophobicContact CZ-CD1 3.84Å; F68-L114 HydrophobicContact CE2-CB 3.94Å; F68-L114 HydrophobicContact CE2-CD1 4.48Å; F68-L114 HydrophobicContact CE2-CD2 3.96Å; F68-L114 HydrophobicContact CE2-CG 4.33Å; F68-L114 HydrophobicContact CZ-CD2 4.38Å; F68-L115 PolarHBondContact N-O 2.81Å; F68-L117 WeakPolarHBondContact O-CB 3.46Å; F68-L117 PolarHBondContact O-N 2.83Å; F68-L145 HydrophobicContact CD1-CB 4.29Å; F68-L145 HydrophobicContact CD1-CD1 4.16Å; F68-L145 HydrophobicContact CE1-CD1 3.58Å; F68-L145 HydrophobicContact CE2-CD1 3.98Å; F68-L145 HydrophobicContact CZ-CD1 3.49Å; F68-L145 VanDerWaalsContact CZ-CD1 3.49Å; F68-V147 HydrophobicContact CD1-CG2 4.16Å
69V88.8Confident83.1Confident0 Ų034.8 Ų34.80%022%0.223CC..EExtended strand (participates in β ladder)trans-125.8131178.6-173.20000108.6L117 I120 I121 I144 L145 I146 V147 I160V69-L117 HydrophobicContact CG2-CB 4.15Å; V69-L117 HydrophobicContact CG2-CD1 3.71Å; V69-I120 HydrophobicContact CG1-CB 4.48Å; V69-I120 HydrophobicContact CG1-CD1 4.38Å; V69-I120 HydrophobicContact CG2-CD1 3.97Å; V69-I121 HydrophobicContact CG1-CD1 4.15Å; V69-I121 HydrophobicContact CG1-CG1 4.4Å; V69-I144 HydrophobicContact CB-CG2 4.43Å; V69-I144 HydrophobicContact CG2-CG2 3.8Å; V69-L145 PolarHBondContact N-O 3Å; V69-I146 CarbonylContact O-C 3.58Å; V69-I146 VanDerWaalsContact O-CA 3.32Å; V69-I146 WeakPolarHBondContact O-CA 3.48Å; V69-V147 PolarHBondContact O-N 2.69Å; V69-I160 HydrophobicContact CB-CG2 4.39Å; V69-I160 HydrophobicContact CG1-CD1 4.45Å; V69-I160 HydrophobicContact CG1-CG1 4.38Å; V69-I160 HydrophobicContact CG1-CG2 3.59Å
70G87.2Confident84.2Confident8 Ų832.5 Ų32.58%0.08220%0.201CC..  trans177.9152.3179.300000110.8I121G70-I121 WeakPolarHBondContact O-CD1 3.32Å
71F84.3Confident84.8Confident27 Ų2730.6 Ų30.612%0.11820%0.203CC..  trans-61.6159.4176.6-81.1-97.8000110.9V74 I121 H156 L159 I160F71-V74 HydrophobicContact CB-CG1 4.07Å; F71-V74 WeakPolarHBondContact O-CG2 3.28Å; F71-I121 HydrophobicContact CD1-CG2 3.48Å; F71-I121 VanDerWaalsContact CD1-CG2 3.48Å; F71-I121 HydrophobicContact CD2-CD1 3.88Å; F71-I121 HydrophobicContact CD2-CG2 3.83Å; F71-I121 HydrophobicContact CE1-CG2 3.07Å; F71-I121 HydrophobicContact CE2-CD1 4.2Å; F71-I121 HydrophobicContact CE2-CG2 3.43Å; F71-I121 VanDerWaalsContact CE2-CG2 3.43Å; F71-I121 HydrophobicContact CG-CD1 4.21Å; F71-I121 HydrophobicContact CG-CG2 3.86Å; F71-I121 HydrophobicContact CZ-CG2 3.04Å; F71-H156 HydrophobicContact CD2-CB 3.6Å; F71-H156 AromaticContact CD2-CD2 3.7Å; F71-H156 AromaticContact CD2-CG 3.38Å; F71-H156 AromaticContact CD2-ND1 3.69Å; F71-H156 HydrophobicContact CE2-CB 3.64Å; F71-H156 AromaticContact CE2-CD2 3.65Å; F71-H156 AromaticContact CE2-CG 3.62Å; F71-H156 AromaticContact CG-ND1 3.98Å; F71-H156 AromaticContact CZ-CD2 3.99Å; F71-L159 HydrophobicContact CE2-CB 4.36Å; F71-L159 HydrophobicContact CE2-CD1 4.44Å; F71-L159 HydrophobicContact CZ-CB 4.19Å; F71-L159 HydrophobicContact CZ-CD1 3.73Å; F71-I160 HydrophobicContact CD2-CD1 4.11Å; F71-I160 HydrophobicContact CD2-CG1 4.43Å; F71-I160 HydrophobicContact CE2-CD1 4.22Å; F71-I160 HydrophobicContact CE2-CG1 4.1Å
72P81.1Confident85.5Confident80 Ų8028.7 Ų28.752%0.51919%0.19SC..THydrogen-bonded Turntrans-51.5152.2165.4-23.734.4000111.4V74P72-V74 PolarHBondContact O-N 3.33Å; P72-V74 VanDerWaalsContact O-N 3.08Å
73S80.8Confident85.8Confident112 Ų11227.4 Ų27.478%0.78318%0.177SC*.THydrogen-bonded Turntrans675.2173.2-49.50000117.4G75 K248S73-G75 VanDerWaalsContact C-N 3.26Å; S73-G75 PolarHBondContact O-N 3.12Å; S73-K248 PolarHBondContact O-NZ 3.38Å
74V85.9Confident85.4Confident3 Ų327.3 Ų27.32%0.01818%0.18CC..SBendtrans-80.6-3.2170.2-550000113.3F71 P72 K76 V147 D149 N247F71-V74 HydrophobicContact CB-CG1 4.07Å; F71-V74 WeakPolarHBondContact O-CG2 3.28Å; P72-V74 PolarHBondContact O-N 3.33Å; P72-V74 VanDerWaalsContact O-N 3.08Å; V74-K76 HydrophobicContact CG2-CB 4.19Å; V74-V147 HydrophobicContact CB-CG1 4.43Å; V74-V147 HydrophobicContact CG2-CB 4.01Å; V74-V147 HydrophobicContact CG2-CG1 3.74Å; V74-D149 HydrophobicContact CG1-CB 4.45Å; V74-N247 PolarHBondContact O-ND2 2.69Å
75G82.8Confident84.4Confident17 Ų1730.4 Ų30.418%0.17521%0.211CC..SBendtrans88.715.4-178.700000115.3S73 S77 T78 L79S73-G75 VanDerWaalsContact C-N 3.26Å; S73-G75 PolarHBondContact O-N 3.12Å; G75-S77 PolarHBondContact O-N 3.5Å; G75-T78 PolarHBondContact O-N 2.89Å; G75-L79 WeakPolarHBondContact O-CB 3.27Å; G75-L79 PolarHBondContact O-N 3.14Å
76K84.8Confident83Confident22 Ų2233.2 Ų33.210%0.09623%0.23CC..Hα-helixtrans-53.5-49.9176.6178.2175.360.871.90113.2F68 V74 T78 L79 L80 D116F68-K76 HydrophobicContact CB-CD 4.17Å; F68-K76 HydrophobicContact CB-CG 4.2Å; V74-K76 HydrophobicContact CG2-CB 4.19Å; K76-T78 PolarHBondContact O-N 2.86Å; K76-L79 PolarHBondContact O-N 2.83Å; K76-L80 HydrophobicContact CG-CD1 4.12Å; K76-L80 PolarHBondContact O-N 3Å; K76-D116 WeakPolarHBondContact CD-OD1 3.45Å; K76-D116 WeakPolarHBondContact CE-OD1 3.44Å; K76-D116 IonicContact NZ-OD1 2.71Å; K76-D116 PolarHBondContact NZ-OD1 3.07Å; K76-D116 IonicContact NZ-OD2 2.62Å; K76-D116 PolarHBondContact NZ-OD2 2.75Å
77S82.1Confident81.3Confident75 Ų7536.9 Ų36.952%0.52424%0.244SC..Hα-helixtrans-65.7-39.6-179.1-50.90000111.9G75 L80 S81G75-S77 PolarHBondContact O-N 3.5Å; S77-L80 PolarHBondContact O-N 2.89Å; S77-S81 WeakPolarHBondContact O-CB 3.47Å; S77-S81 PolarHBondContact O-N 2.94Å; S77-S81 PolarHBondContact O-OG 3.43Å; S77-S81 VanDerWaalsContact O-OG 3.1Å
78T85.5Confident79.4Confident68 Ų6839.2 Ų39.242%0.41726%0.261SS..Hα-helixtrans-62.4-43.4175.2-48.60000111.5G75 K76 N82 A271G75-T78 PolarHBondContact O-N 2.89Å; K76-T78 PolarHBondContact O-N 2.86Å; T78-N82 WeakPolarHBondContact O-CB 3.35Å; T78-N82 PolarHBondContact O-N 3.3Å; T78-N82 PolarHBondContact O-ND2 3.42Å; T78-A271 HydrophobicContact CG2-CB 4.29Å
79L87.1Confident77.2Confident0 Ų045.6 Ų45.60%029%0.291CS..Hα-helixtrans-61.4-48.5175.8179.160.5000111.5F68 G75 K76 N82 L83 V147 V245 I269 A271 F277 L280F68-L79 HydrophobicContact CD1-CD2 4.24Å; F68-L79 HydrophobicContact CE1-CD2 3.8Å; F68-L79 HydrophobicContact CE1-CG 4.03Å; G75-L79 WeakPolarHBondContact O-CB 3.27Å; G75-L79 PolarHBondContact O-N 3.14Å; K76-L79 PolarHBondContact O-N 2.83Å; L79-N82 PolarHBondContact O-N 3.03Å; L79-L83 HydrophobicContact CD1-CD1 3.76Å; L79-L83 HydrophobicContact CD1-CG 4.02Å; L79-L83 HydrophobicContact CG-CD1 3.88Å; L79-L83 HydrophobicContact CG-CG 4.49Å; L79-L83 WeakPolarHBondContact O-CB 3.18Å; L79-L83 WeakPolarHBondContact O-CG 3.31Å; L79-L83 PolarHBondContact O-N 3.46Å; L79-V147 HydrophobicContact CD2-CG2 4.05Å; L79-V245 HydrophobicContact CD2-CG1 4.02Å; L79-I269 HydrophobicContact CD1-CD1 3.57Å; L79-I269 HydrophobicContact CD2-CD1 3.78Å; L79-I269 HydrophobicContact CG-CD1 4.23Å; L79-A271 HydrophobicContact CB-CB 4.33Å; L79-F277 HydrophobicContact CD1-CE1 3.81Å; L79-F277 HydrophobicContact CD1-CE2 3.83Å; L79-F277 HydrophobicContact CD1-CZ 3.37Å; L79-L280 HydrophobicContact CD1-CD2 4.14Å; L79-L280 HydrophobicContact CD2-CD2 4.45Å
80L85.3Confident74.6Confident19 Ų1952.1 Ų52.110%0.09933%0.33CS..Hα-helixtrans-58.1-49.4177.1-82.3167.8000112.1F68 K76 S77 N82 L83 A84 L114 D116F68-L80 HydrophobicContact CB-CD1 4.34Å; F68-L80 HydrophobicContact CB-CD2 4.45Å; F68-L80 HydrophobicContact CD1-CD2 3.94Å; F68-L80 HydrophobicContact CD1-CG 3.97Å; F68-L80 HydrophobicContact CD2-CD2 3.42Å; F68-L80 VanDerWaalsContact CD2-CD2 3.42Å; F68-L80 HydrophobicContact CD2-CG 4.26Å; F68-L80 HydrophobicContact CE1-CD2 3.94Å; F68-L80 HydrophobicContact CE1-CG 4.17Å; F68-L80 HydrophobicContact CE2-CD2 3.43Å; F68-L80 VanDerWaalsContact CE2-CD2 3.43Å; F68-L80 HydrophobicContact CE2-CG 4.47Å; F68-L80 HydrophobicContact CG-CD1 4.35Å; F68-L80 HydrophobicContact CG-CD2 3.68Å; F68-L80 HydrophobicContact CG-CG 4Å; F68-L80 HydrophobicContact CZ-CD2 3.68Å; F68-L80 HydrophobicContact CZ-CG 4.41Å; K76-L80 HydrophobicContact CG-CD1 4.12Å; K76-L80 PolarHBondContact O-N 3Å; S77-L80 PolarHBondContact O-N 2.89Å; L80-N82 PolarHBondContact O-N 3.32Å; L80-L83 PolarHBondContact O-N 3.39Å; L80-A84 VanDerWaalsContact O-CB 3.22Å; L80-A84 WeakPolarHBondContact O-CB 3.43Å; L80-A84 PolarHBondContact O-N 3.41Å; L80-L114 HydrophobicContact CD2-CB 4.14Å; L80-D116 HydrophobicContact CD1-CB 3.67Å
81S82.1Confident72.1Confident82 Ų8253.7 Ų53.757%0.57334%0.342SS*.Hα-helixtrans-63.7-40179.6-63.40000112.4S77 G85S77-S81 WeakPolarHBondContact O-CB 3.47Å; S77-S81 PolarHBondContact O-N 2.94Å; S77-S81 PolarHBondContact O-OG 3.43Å; S77-S81 VanDerWaalsContact O-OG 3.1Å; S81-G85 PolarHBondContact O-N 3.2Å
82N84.3Confident69.6Low23 Ų2357 Ų5712%0.12338%0.375CS..Hα-helixtrans-70.9-42.2178.6-78-29.3000111.9T78 L79 L80 V86 A271 R274 F277T78-N82 WeakPolarHBondContact O-CB 3.35Å; T78-N82 PolarHBondContact O-N 3.3Å; T78-N82 PolarHBondContact O-ND2 3.42Å; L79-N82 PolarHBondContact O-N 3.03Å; L80-N82 PolarHBondContact O-N 3.32Å; N82-V86 WeakPolarHBondContact O-CB 3.36Å; N82-V86 WeakPolarHBondContact O-CG2 3.31Å; N82-V86 PolarHBondContact O-N 2.96Å; N82-V86 VanDerWaalsContact O-N 3.09Å; N82-A271 PolarHBondContact ND2-O 2.96Å; N82-R274 PolarHBondContact OD1-NE 3.35Å; N82-R274 PolarHBondContact OD1-NH2 3.44Å; N82-F277 HydrophobicContact CB-CE2 3.56Å; N82-F277 HydrophobicContact CB-CZ 4.08Å
83L83.3Confident67.6Low0 Ų062.8 Ų62.80%039%0.388CS..Hα-helixtrans-65.2-45.1176.1-73.2172.2000111.6F68 L79 L80 Y87 I105 L114 F277 L280 L281F68-L83 HydrophobicContact CE1-CD1 4.08Å; F68-L83 HydrophobicContact CZ-CD1 3.84Å; L79-L83 HydrophobicContact CD1-CD1 3.76Å; L79-L83 HydrophobicContact CD1-CG 4.02Å; L79-L83 HydrophobicContact CG-CD1 3.88Å; L79-L83 HydrophobicContact CG-CG 4.49Å; L79-L83 WeakPolarHBondContact O-CB 3.18Å; L79-L83 WeakPolarHBondContact O-CG 3.31Å; L79-L83 PolarHBondContact O-N 3.46Å; L80-L83 PolarHBondContact O-N 3.39Å; L83-Y87 WeakPolarHBondContact O-CD2 3.4Å; L83-Y87 PolarHBondContact O-N 2.87Å; L83-I105 WeakPolarHBondContact O-CG2 3.07Å; L83-L114 HydrophobicContact CB-CD1 4.07Å; L83-F277 HydrophobicContact CD2-CD2 3.62Å; L83-F277 HydrophobicContact CD2-CE2 4.04Å; L83-F277 HydrophobicContact CD2-CG 4.36Å; L83-F277 HydrophobicContact CG-CD2 4.15Å; L83-F277 HydrophobicContact CG-CE2 4.03Å; L83-L280 HydrophobicContact CD1-CD2 4.26Å; L83-L281 HydrophobicContact CD2-CD1 4.47Å; L83-L281 HydrophobicContact CD2-CD2 4.21Å; L83-L281 HydrophobicContact CD2-CG 4.27Å
84A76.1Confident65.2Low23 Ų2366 Ų6619%0.1939%0.391CS..Hα-helixtrans-66.2-42.6177.600000111.9L80 S88L80-A84 VanDerWaalsContact O-CB 3.22Å; L80-A84 WeakPolarHBondContact O-CB 3.43Å; L80-A84 PolarHBondContact O-N 3.41Å; A84-S88 WeakPolarHBondContact O-CB 3.46Å; A84-S88 PolarHBondContact O-N 3.48Å; A84-S88 VanDerWaalsContact O-N 3.16Å
85G69.6Low62.6Low64 Ų6474.4 Ų74.466%0.6643%0.427SS*.Hα-helixtrans-69.7-34.5-177.400000114.4S81S81-G85 PolarHBondContact O-N 3.2Å
86V60Low60Low74 Ų7478.1 Ų78.145%0.44845%0.447SS..Hα-helixtrans-82.1-29.7-177.4176.70000112.2N82N82-V86 WeakPolarHBondContact O-CB 3.36Å; N82-V86 WeakPolarHBondContact O-CG2 3.31Å; N82-V86 PolarHBondContact O-N 2.96Å; N82-V86 VanDerWaalsContact O-N 3.09Å
87Y56.6Low57.4Low77 Ų7783.9 Ų83.930%0.30248%0.484SS..Hα-helixtrans-121.114.6-169.6-60.8-82.1000114.8L83 I105 R106 L281L83-Y87 WeakPolarHBondContact O-CD2 3.4Å; L83-Y87 PolarHBondContact O-N 2.87Å; Y87-I105 WeakPolarHBondContact O-CA 3.49Å; Y87-R106 PolarHBondContact O-N 3.22Å; Y87-L281 HydrophobicContact CD1-CD1 4.27Å; Y87-L281 HydrophobicContact CD2-CD1 3.86Å; Y87-L281 HydrophobicContact CE1-CD1 3.8Å; Y87-L281 HydrophobicContact CE2-CD1 3.35Å; Y87-L281 HydrophobicContact CG-CD1 4.29Å
88S50.4Low55.3Low50 Ų5086.7 Ų86.735%0.3549%0.492SS..  trans-96.6125.4175.9-169.30000112.4A84 V90 V104A84-S88 WeakPolarHBondContact O-CB 3.46Å; A84-S88 PolarHBondContact O-N 3.48Å; A84-S88 VanDerWaalsContact O-N 3.16Å; S88-V90 VanDerWaalsContact C-N 3.33Å; S88-V90 PolarHBondContact O-N 3.34Å; S88-V104 WeakPolarHBondContact CB-O 3.26Å; S88-V104 PolarHBondContact OG-O 3.45Å
89E43Very low52.9Low133 Ų13386.3 Ų86.362%0.62149%0.49SS*.SBendtrans-89.647.4170.6-71.4-173.3146.400112.2R106E89-R106 WeakPolarHBondContact OE2-CD 3.46Å; E89-R106 IonicContact OE2-CZ 2.7Å; E89-R106 IonicContact OE2-NE 2.65Å; E89-R106 PolarHBondContact OE2-NE 3.27Å; E89-R106 IonicContact OE2-NH2 3.05Å; E89-R106 PolarHBondContact OE2-NH2 3.41Å
90V35.4Very low51Low137 Ų13787.4 Ų87.483%0.8350%0.497SS*.SBendtrans84105.4-178.6-167.30000114S88S88-V90 VanDerWaalsContact C-N 3.33Å; S88-V90 PolarHBondContact O-N 3.34Å
91A33.8Very low49.3Very low41 Ų4192.4 Ų92.434%0.33953%0.528SS..  171.993.6113.700000109.2Y93A91-Y93 HydrophobicContact CB-CD2 3.5Å; A91-Y93 VanDerWaalsContact CB-CD2 3.5Å; A91-Y93 HydrophobicContact CB-CE2 3.27Å; A91-Y93 HydrophobicContact CB-CG 4.39Å; A91-Y93 PolarHBondContact O-N 2.95Å
92A32.4Very low48.3Very low98 Ų9891.3 Ų91.381%0.8152%0.518SS*.  trans-64.489.1150.700000106.4E94A92-E94 PolarHBondContact O-N 2.81Å
93Y38.3Very low47.7Very low201 Ų20190.8 Ų90.879%0.78852%0.519SS*.  trans-70.988.7161.5-74.8-80.5000106.1A91 F95A91-Y93 HydrophobicContact CB-CD2 3.5Å; A91-Y93 VanDerWaalsContact CB-CD2 3.5Å; A91-Y93 HydrophobicContact CB-CE2 3.27Å; A91-Y93 HydrophobicContact CB-CG 4.39Å; A91-Y93 PolarHBondContact O-N 2.95Å; Y93-F95 PolarHBondContact O-N 2.74Å
94E30.9Very low47.7Very low179 Ų17993.2 Ų93.284%0.83653%0.533SS*.  trans-64.576161.3-80.3-172147.200108.8A92A92-E94 PolarHBondContact O-N 2.81Å
95F30.5Very low48.2Very low179 Ų17992.1 Ų92.179%0.78552%0.524SS*.  trans-145.792.4162.9-92.5-79.2000108.8Y93Y93-F95 PolarHBondContact O-N 2.74Å
96T28.1Very low49Very low96 Ų9692.9 Ų92.959%0.58951%0.507SS*.  150133120.852.90000110.4L98 T99T96-L98 PolarHBondContact O-N 2.92Å; T96-T99 PolarHBondContact OG1-OG1 2.7Å
97T30.2Very low50.4Low142 Ų14291.4 Ų91.487%0.87149%0.494SS*.THydrogen-bonded Turntrans-69.810.1-170.738.60000115.1
98L38.2Very low51.9Low134 Ų13491.6 Ų91.670%0.70250%0.496SS*.THydrogen-bonded Turntrans-143.12.5-165.3-73.2167.7000116T96T96-L98 PolarHBondContact O-N 2.92Å
99T36.1Very low53.5Low61 Ų6190.1 Ų90.137%0.37449%0.489SS..SBendtrans-132.2142179.658.40000111.8F56 T96 V101F56-T99 HydrophobicContact CD2-CG2 3.98Å; F56-T99 HydrophobicContact CE2-CG2 3.49Å; F56-T99 VanDerWaalsContact CE2-CG2 3.49Å; F56-T99 HydrophobicContact CZ-CG2 3.93Å; T96-T99 PolarHBondContact OG1-OG1 2.7Å; T99-V101 PolarHBondContact O-N 2.65Å
100T46.4Very low55.6Low22 Ų2283.8 Ų83.814%0.13546%0.46CS..  trans-41.4125.7173.8480000112.2F56 P102 D116 P118F56-T100 HydrophobicContact CZ-CG2 4.39Å; T100-P102 WeakPolarHBondContact O-CD 3.48Å; T100-D116 HydrophobicContact CG2-CB 4.07Å; T100-D116 WeakPolarHBondContact CG2-O 3.38Å; T100-P118 HydrophobicContact CG2-CG 3.34Å
101V49.4Very low58.1Low125 Ų12581.9 Ų81.976%0.75844%0.44SS*.  trans-62107.6179.3-177.50000108.8T99 G103T99-V101 PolarHBondContact O-N 2.65Å; V101-G103 PolarHBondContact O-N 3.42Å
102P60.7Low60.8Low58 Ų5880 Ų8038%0.37742%0.424SS..  trans-79.5115.2175.828.3-20.3000108.2T100 L114 L115T100-P102 WeakPolarHBondContact O-CD 3.48Å; P102-L114 WeakPolarHBondContact CA-O 3.47Å; P102-L115 HydrophobicContact CB-CD2 4.22Å
103G72.3Confident63.4Low12 Ų1275.4 Ų75.412%0.12439%0.386CS..EExtended strand (participates in β ladder)trans-83.1140.3169.200000109.6V101 L114V101-G103 PolarHBondContact O-N 3.42Å; G103-L114 PolarHBondContact N-O 2.97Å; G103-L114 VanDerWaalsContact N-O 3.17Å; G103-L114 WeakPolarHBondContact O-CA 3.5Å; G103-L114 WeakPolarHBondContact O-CB 3.15Å; G103-L114 PolarHBondContact O-N 2.65Å
104V83.1Confident65.8Low51 Ų5165.9 Ų65.931%0.30935%0.349SS..EExtended strand (participates in β ladder)trans-116.7121.9168.8-177.90000108.2S88 K111 I112S88-V104 WeakPolarHBondContact CB-O 3.26Å; S88-V104 PolarHBondContact OG-O 3.45Å; V104-K111 HydrophobicContact CG1-CB 4.33Å; V104-I112 WeakPolarHBondContact CA-O 3.49Å
105I87.4Confident68.4Low1 Ų157.4 Ų57.41%0.00531%0.309CS..EExtended strand (participates in β ladder)trans-107.5150.2175.364.7171.9000109.9L83 Y87 I112 L114 L281L83-I105 WeakPolarHBondContact O-CG2 3.07Å; Y87-I105 WeakPolarHBondContact O-CA 3.49Å; I105-I112 HydrophobicContact CD1-CB 4.42Å; I105-I112 HydrophobicContact CG1-CB 3.86Å; I105-I112 PolarHBondContact N-O 3.23Å; I105-I112 PolarHBondContact O-N 3.24Å; I105-L114 HydrophobicContact CD1-CD1 4.35Å; I105-L114 HydrophobicContact CD1-CD2 4.06Å; I105-L114 HydrophobicContact CG1-CD1 4.45Å; I105-L114 HydrophobicContact CG1-CD2 4.26Å; I105-L114 HydrophobicContact CG1-CG 4.38Å; I105-L114 HydrophobicContact CG2-CD1 3.76Å; I105-L114 HydrophobicContact CG2-CG 4.38Å; I105-L281 HydrophobicContact CD1-CD2 3.75Å
106R86.6Confident70.8Confident80 Ų8050 Ų5030%0.30228%0.278SS..EExtended strand (participates in β ladder)trans-105.4120.1167.4-171-172.8-71.8-103.218.3108.8Y87 E89 G109 A110Y87-R106 PolarHBondContact O-N 3.22Å; E89-R106 WeakPolarHBondContact OE2-CD 3.46Å; E89-R106 IonicContact OE2-CZ 2.7Å; E89-R106 IonicContact OE2-NE 2.65Å; E89-R106 PolarHBondContact OE2-NE 3.27Å; E89-R106 IonicContact OE2-NH2 3.05Å; E89-R106 PolarHBondContact OE2-NH2 3.41Å; R106-G109 PolarHBondContact NH1-O 2.93Å; R106-G109 VanDerWaalsContact NH1-O 3.15Å; R106-A110 VanDerWaalsContact CA-O 3.32Å; R106-A110 WeakPolarHBondContact CA-O 3.41Å
107Y88.4Confident73.2Confident42 Ų4245.7 Ų45.717%0.16525%0.251CS..EExtended strand (participates in β ladder)trans-132.9127.9176.9-170.4-99.6000109.6G109 A110 L281 W285Y107-G109 PolarHBondContact O-N 3.13Å; Y107-G109 VanDerWaalsContact O-N 3.12Å; Y107-A110 PolarHBondContact N-O 3.09Å; Y107-A110 PolarHBondContact O-N 2.92Å; Y107-L281 HydrophobicContact CD2-CB 4.16Å; Y107-L281 HydrophobicContact CD2-CD1 4.19Å; Y107-L281 HydrophobicContact CD2-CD2 4.45Å; Y107-L281 HydrophobicContact CE2-CB 3.71Å; Y107-L281 HydrophobicContact CE2-CD1 4.14Å; Y107-L281 HydrophobicContact CE2-CG 4.44Å; Y107-W285 HydrophobicContact CD1-CB 4.13Å; Y107-W285 HydrophobicContact CD1-CD2 4.25Å; Y107-W285 AromaticContact CD1-CE3 3.84Å; Y107-W285 HydrophobicContact CD1-CE3 3.84Å; Y107-W285 HydrophobicContact CD1-CG 4.4Å; Y107-W285 HydrophobicContact CE1-CB 3.75Å; Y107-W285 HydrophobicContact CE1-CD2 4.37Å; Y107-W285 HydrophobicContact CE1-CE3 4.41Å; Y107-W285 HydrophobicContact CE1-CG 4.11Å
108K87.4Confident74.9Confident82 Ų8241.9 Ų41.936%0.35723%0.229SC..THydrogen-bonded Turntrans48.337.6-174.6-64.7-179.5178.9178.70113.7A110 W285 R292K108-A110 VanDerWaalsContact C-N 3.27Å; K108-A110 PolarHBondContact O-N 3.41Å; K108-W285 HydrophobicContact CB-CD2 4.41Å; K108-W285 HydrophobicContact CB-CE3 4.28Å; K108-W285 HydrophobicContact CB-CH2 4.01Å; K108-W285 HydrophobicContact CB-CZ2 4.16Å; K108-W285 HydrophobicContact CB-CZ3 4.07Å; K108-W285 HydrophobicContact CD-CD2 3.81Å; K108-W285 HydrophobicContact CD-CE3 4.44Å; K108-W285 HydrophobicContact CD-CG 3.97Å; K108-W285 HydrophobicContact CD-CZ2 4.3Å; K108-R292 WeakPolarHBondContact O-CD 3.38Å
109G84.1Confident75.9Confident19 Ų1937.1 Ų37.120%0.19621%0.212CC..THydrogen-bonded Turntrans84.2-17.1-179.500000115.3R106 Y107R106-G109 PolarHBondContact NH1-O 2.93Å; R106-G109 VanDerWaalsContact NH1-O 3.15Å; Y107-G109 PolarHBondContact O-N 3.13Å; Y107-G109 VanDerWaalsContact O-N 3.12Å
110A87.5Confident77.2Confident0 Ų034.4 Ų34.40%020%0.196CC..EExtended strand (participates in β ladder)trans-84.4145.8177.900000112.7R106 Y107 K108 W285 L290 V309R106-A110 VanDerWaalsContact CA-O 3.32Å; R106-A110 WeakPolarHBondContact CA-O 3.41Å; Y107-A110 PolarHBondContact N-O 3.09Å; Y107-A110 PolarHBondContact O-N 2.92Å; K108-A110 VanDerWaalsContact C-N 3.27Å; K108-A110 PolarHBondContact O-N 3.41Å; A110-W285 HydrophobicContact CB-CH2 4.06Å; A110-W285 HydrophobicContact CB-CZ3 3.67Å; A110-L290 HydrophobicContact CB-CD1 4.17Å; A110-V309 HydrophobicContact CB-CB 4.33Å; A110-V309 HydrophobicContact CB-CG1 4.05Å; A110-V309 HydrophobicContact CB-CG2 3.63Å
111K88.2Confident77.8Confident96 Ų9635 Ų3542%0.41720%0.197SC..EExtended strand (participates in β ladder)trans-92.8116174.2-66-179.4-177.1-178.70109.6G62 D63 A64 V104G62-K111 CarbonylContact C-O 3.1Å; D63-K111 PolarHBondContact N-O 2.89Å; D63-K111 PolarHBondContact OD2-N 3.23Å; A64-K111 PolarHBondContact N-O 3Å; V104-K111 HydrophobicContact CG1-CB 4.33Å
112I89.6Confident77.9Confident2 Ų235.4 Ų35.41%0.0119%0.191CC..EExtended strand (participates in β ladder)trans-110.6121-178.9-54.3173.6000108.7A64 V66 V104 I105 L114 L288A64-I112 HydrophobicContact CB-CG2 4.48Å; V66-I112 HydrophobicContact CB-CG2 4.4Å; V66-I112 HydrophobicContact CG2-CG2 3.48Å; V66-I112 VanDerWaalsContact CG2-CG2 3.48Å; V104-I112 WeakPolarHBondContact CA-O 3.49Å; I105-I112 HydrophobicContact CD1-CB 4.42Å; I105-I112 HydrophobicContact CG1-CB 3.86Å; I105-I112 PolarHBondContact N-O 3.23Å; I105-I112 PolarHBondContact O-N 3.24Å; I112-L114 HydrophobicContact CG2-CD2 4.18Å; I112-L288 HydrophobicContact CD1-CD1 3.89Å; I112-L288 HydrophobicContact CG1-CD1 4.38Å; I112-L288 HydrophobicContact CG2-CD1 4.31Å
113Q88Confident77.3Confident2 Ų234.1 Ų34.11%0.00919%0.188CC..EExtended strand (participates in β ladder)trans-85.6118.4175.8-176.4178.629.800109.6A59 T61 A64 R65 V66 L115A59-Q113 PolarHBondContact O-NE2 3.47Å; T61-Q113 VanDerWaalsContact O-CB 3.31Å; T61-Q113 WeakPolarHBondContact O-CB 3.49Å; T61-Q113 PolarHBondContact O-OE1 2.96Å; T61-Q113 PolarHBondContact OG1-NE2 2.89Å; A64-Q113 PolarHBondContact O-N 2.67Å; R65-Q113 CarbonylContact C-O 3.59Å; R65-Q113 WeakPolarHBondContact CA-O 3.47Å; R65-Q113 HydrophobicContact CG-CB 4.26Å; R65-Q113 VanDerWaalsContact NE-OE1 3.12Å; V66-Q113 PolarHBondContact N-O 2.94Å; Q113-L115 HydrophobicContact CG-CD2 3.97Å; Q113-L115 HydrophobicContact CG-CG 4.16Å
114L88.1Confident76Confident0 Ų034.9 Ų34.90%019%0.193CC..EExtended strand (participates in β ladder)trans-91.7124.5174.2-50.9-176.6000108.7V66 F68 L80 L83 P102 G103 I105 I112 M284V66-L114 HydrophobicContact CB-CD2 4.1Å; F68-L114 HydrophobicContact CE2-CB 3.94Å; F68-L114 HydrophobicContact CE2-CD1 4.48Å; F68-L114 HydrophobicContact CE2-CD2 3.96Å; F68-L114 HydrophobicContact CE2-CG 4.33Å; F68-L114 HydrophobicContact CZ-CD2 4.38Å; L80-L114 HydrophobicContact CD2-CB 4.14Å; L83-L114 HydrophobicContact CB-CD1 4.07Å; P102-L114 WeakPolarHBondContact CA-O 3.47Å; G103-L114 PolarHBondContact N-O 2.97Å; G103-L114 VanDerWaalsContact N-O 3.17Å; G103-L114 WeakPolarHBondContact O-CA 3.5Å; G103-L114 WeakPolarHBondContact O-CB 3.15Å; G103-L114 PolarHBondContact O-N 2.65Å; I105-L114 HydrophobicContact CD1-CD1 4.35Å; I105-L114 HydrophobicContact CD1-CD2 4.06Å; I105-L114 HydrophobicContact CG1-CD1 4.45Å; I105-L114 HydrophobicContact CG1-CD2 4.26Å; I105-L114 HydrophobicContact CG1-CG 4.38Å; I105-L114 HydrophobicContact CG2-CD1 3.76Å; I105-L114 HydrophobicContact CG2-CG 4.38Å; I112-L114 HydrophobicContact CG2-CD2 4.18Å; L114-M284 HydrophobicContact CD2-CE 4.21Å
115L85.4Confident74.1Confident1 Ų140.3 Ų40.31%0.00521%0.212CC..EExtended strand (participates in β ladder)trans-119.4124.9-177.4-63.4169.2000108.9V58 R65 V66 G67 F68 P102 Q113 V137V58-L115 HydrophobicContact CG1-CD2 3.92Å; R65-L115 HydrophobicContact CB-CD1 4.07Å; R65-L115 HydrophobicContact CG-CD1 4.03Å; V66-L115 PolarHBondContact O-N 3.36Å; G67-L115 CarbonylContact C-O 3.59Å; G67-L115 WeakPolarHBondContact CA-O 3.36Å; F68-L115 PolarHBondContact N-O 2.81Å; P102-L115 HydrophobicContact CB-CD2 4.22Å; Q113-L115 HydrophobicContact CG-CD2 3.97Å; Q113-L115 HydrophobicContact CG-CG 4.16Å; L115-V137 HydrophobicContact CD1-CG1 3.81Å
116D82.6Confident72.1Confident24 Ų2446.1 Ų46.113%0.12824%0.244CC..EExtended strand (participates in β ladder)trans-80.2134.5167.1-165.76.3000109.9K76 L80 T100 P118K76-D116 WeakPolarHBondContact CD-OD1 3.45Å; K76-D116 WeakPolarHBondContact CE-OD1 3.44Å; K76-D116 IonicContact NZ-OD1 2.71Å; K76-D116 PolarHBondContact NZ-OD1 3.07Å; K76-D116 IonicContact NZ-OD2 2.62Å; K76-D116 PolarHBondContact NZ-OD2 2.75Å; L80-D116 HydrophobicContact CD1-CB 3.67Å; T100-D116 HydrophobicContact CG2-CB 4.07Å; T100-D116 WeakPolarHBondContact CG2-O 3.38Å; D116-P118 WeakPolarHBondContact O-CD 3.38Å
117L77.6Confident70.2Confident6 Ų645.3 Ų45.33%0.03126%0.26CS..  trans-114.370.3179.3-59.2172.5000110.8F68 V69 I120 V134 V137 A138F68-L117 WeakPolarHBondContact O-CB 3.46Å; F68-L117 PolarHBondContact O-N 2.83Å; V69-L117 HydrophobicContact CG2-CB 4.15Å; V69-L117 HydrophobicContact CG2-CD1 3.71Å; L117-I120 HydrophobicContact CB-CD1 3.87Å; L117-I120 HydrophobicContact CB-CG1 4.45Å; L117-I120 HydrophobicContact CD1-CD1 4.14Å; L117-V134 HydrophobicContact CB-CG1 4.06Å; L117-V134 HydrophobicContact CD2-CG1 4.26Å; L117-V137 HydrophobicContact CD2-CB 4.11Å; L117-V137 HydrophobicContact CD2-CG1 3.81Å; L117-A138 HydrophobicContact CD1-CB 3.76Å; L117-A138 HydrophobicContact CD2-CB 4.36Å
118P65.9Low68.2Low61 Ų6150.9 Ų50.940%0.39629%0.285SS..THydrogen-bonded Turntrans-68.9141.1177.231.2-34.8000110.1T100 D116 V134T100-P118 HydrophobicContact CG2-CG 3.34Å; D116-P118 WeakPolarHBondContact O-CD 3.38Å; P118-V134 WeakPolarHBondContact O-CG1 3.43Å; P118-V134 VanDerWaalsContact O-CG2 3.27Å; P118-V134 WeakPolarHBondContact O-CG2 3.25Å
119G59.8Low66.4Low35 Ų3549.4 Ų49.436%0.36129%0.294SS..THydrogen-bonded Turntrans92.21.6169.200000116.7I121 G123G119-I121 PolarHBondContact O-N 2.76Å; G119-G123 PolarHBondContact O-N 3.45Å
120I62.3Low65.1Low4 Ų457.2 Ų57.22%0.02132%0.317CS..THydrogen-bonded Turntrans-62.1-28.5165.2-63-176.6000110.8V69 L117 V134 A138 E163 L164V69-I120 HydrophobicContact CG1-CB 4.48Å; V69-I120 HydrophobicContact CG1-CD1 4.38Å; V69-I120 HydrophobicContact CG2-CD1 3.97Å; L117-I120 HydrophobicContact CB-CD1 3.87Å; L117-I120 HydrophobicContact CB-CG1 4.45Å; L117-I120 HydrophobicContact CD1-CD1 4.14Å; I120-V134 HydrophobicContact CD1-CG1 4.24Å; I120-V134 HydrophobicContact CG1-CG1 3.7Å; I120-A138 HydrophobicContact CD1-CB 4.11Å; I120-E163 HydrophobicContact CG2-CB 4Å; I120-L164 HydrophobicContact CD1-CD2 3.91Å; I120-L164 HydrophobicContact CG2-CD2 4.21Å; I120-L164 HydrophobicContact CG2-CG 4.47Å
121I58.6Low63.8Low33 Ų3357.9 Ų57.917%0.16932%0.324CS..THydrogen-bonded Turntrans-100-32.3-164-58.3176.5000113.7V69 G70 F71 G119 I160V69-I121 HydrophobicContact CG1-CD1 4.15Å; V69-I121 HydrophobicContact CG1-CG1 4.4Å; G70-I121 WeakPolarHBondContact O-CD1 3.32Å; F71-I121 HydrophobicContact CD1-CG2 3.48Å; F71-I121 VanDerWaalsContact CD1-CG2 3.48Å; F71-I121 HydrophobicContact CD2-CD1 3.88Å; F71-I121 HydrophobicContact CD2-CG2 3.83Å; F71-I121 HydrophobicContact CE1-CG2 3.07Å; F71-I121 HydrophobicContact CE2-CD1 4.2Å; F71-I121 HydrophobicContact CE2-CG2 3.43Å; F71-I121 VanDerWaalsContact CE2-CG2 3.43Å; F71-I121 HydrophobicContact CG-CD1 4.21Å; F71-I121 HydrophobicContact CG-CG2 3.86Å; F71-I121 HydrophobicContact CZ-CG2 3.04Å; G119-I121 PolarHBondContact O-N 2.76Å; I121-I160 HydrophobicContact CD1-CD1 3.78Å; I121-I160 HydrophobicContact CD1-CG1 3.65Å; I121-I160 HydrophobicContact CG1-CG1 3.97Å
122E52Low62.6Low135 Ų13559.4 Ų59.463%0.63133%0.327SS*.THydrogen-bonded Turntrans-126.9-14.5-173-69.4176.2171.700114
123G47.7Very low61.4Low30 Ų3062.1 Ų62.131%0.30934%0.339SS..SBendtrans-116-4.9-166.200000116.8G119 K125G119-G123 PolarHBondContact O-N 3.45Å; G123-K125 VanDerWaalsContact C-N 3.27Å; G123-K125 PolarHBondContact O-N 3.46Å
124A44.9Very low60.6Low28 Ų2862.7 Ų62.723%0.23134%0.343CS..G310 helixtrans-72.9-20.3-178.800000113.4F167A124-F167 HydrophobicContact CB-CZ 3.93Å
125K43.9Very low59.9Low165 Ų16563.3 Ų63.372%0.71735%0.346SS*.G310 helixtrans-76.4-23.4179.9-72.8-176.7176.8177.60114G123 G127G123-K125 VanDerWaalsContact C-N 3.27Å; G123-K125 PolarHBondContact O-N 3.46Å; K125-G127 PolarHBondContact O-N 3.2Å
126D46Very low59.4Low123 Ų12366 Ų6666%0.65837%0.369SS*.G310 helixtrans-861.8-170-88.5-1.3000115.5K128D126-K128 PolarHBondContact O-N 3.26Å
127G46.7Very low59.3Low63 Ų6365.3 Ų65.365%0.64937%0.365SS*.  trans62.6-3.1171.600000116.1K125 G129K125-G127 PolarHBondContact O-N 3.2Å; G127-G129 PolarHBondContact O-N 3.48Å
128K46.8Very low59.6Low159 Ų15965.1 Ų65.169%0.69136%0.364SS*.  trans-68.2120.2169.5-66.1-179.5-177.11730106.4D126 R130 G131D126-K128 PolarHBondContact O-N 3.26Å; K128-R130 PolarHBondContact O-N 3.16Å; K128-G131 PolarHBondContact O-N 2.86Å
129G49Very low60.5Low52 Ų5264.5 Ų64.554%0.53635%0.354SS..THydrogen-bonded Turntrans-51.7-3.1-165.300000118.9G127G127-G129 PolarHBondContact O-N 3.48Å
130R56.1Low61.7Low183 Ų18365.8 Ų65.869%0.69136%0.355SS*.Hα-helixtrans-68.4-32.2177-61.6-177.2178.1179.5-2.3113.7K128 R132 Q133 V134K128-R130 PolarHBondContact O-N 3.16Å; R130-R132 PolarHBondContact O-N 2.63Å; R130-Q133 WeakPolarHBondContact O-CB 3.4Å; R130-Q133 PolarHBondContact O-N 3.17Å; R130-V134 PolarHBondContact O-N 2.93Å
131G60.3Low62.9Low13 Ų1365.9 Ų65.913%0.13436%0.356CS..Hα-helixtrans-63.5-41.1179.100000113K128 Q133 V134 I135K128-G131 PolarHBondContact O-N 2.86Å; G131-Q133 VanDerWaalsContact C-N 3.28Å; G131-Q133 PolarHBondContact O-N 3.37Å; G131-V134 PolarHBondContact O-N 3.15Å; G131-I135 VanDerWaalsContact O-CD1 3.24Å; G131-I135 WeakPolarHBondContact O-CD1 3.4Å; G131-I135 VanDerWaalsContact O-CG1 3.3Å; G131-I135 WeakPolarHBondContact O-CG1 3.39Å; G131-I135 PolarHBondContact O-N 2.97Å
132R63.5Low64.5Low128 Ų12866.8 Ų66.848%0.48336%0.361SS..Hα-helixtrans-61.6-36.1178.3-71.4-176.8175171.5-2.3113.1L41 R130 A136L41-R132 WeakPolarHBondContact O-CD 3.36Å; L41-R132 PolarHBondContact O-NE 3.38Å; R130-R132 PolarHBondContact O-N 2.63Å; R132-A136 PolarHBondContact O-N 3.2Å; R132-A136 VanDerWaalsContact O-N 3.13Å
133Q64Low66.5Low59 Ų5960.4 Ų60.428%0.27633%0.331SS..Hα-helixtrans-66.8-46.1-179.6-78.7171.2-1300111.6E54 F56 R130 G131 I135 A136 V137E54-Q133 PolarHBondContact O-NE2 3.21Å; F56-Q133 HydrophobicContact CB-CB 3.56Å; F56-Q133 HydrophobicContact CB-CG 3.72Å; F56-Q133 HydrophobicContact CG-CB 4.16Å; R130-Q133 WeakPolarHBondContact O-CB 3.4Å; R130-Q133 PolarHBondContact O-N 3.17Å; G131-Q133 VanDerWaalsContact C-N 3.28Å; G131-Q133 PolarHBondContact O-N 3.37Å; Q133-I135 VanDerWaalsContact C-N 3.27Å; Q133-I135 PolarHBondContact O-N 3.33Å; Q133-A136 WeakPolarHBondContact O-CB 3.25Å; Q133-A136 PolarHBondContact O-N 3.21Å; Q133-V137 PolarHBondContact O-N 3.21Å; Q133-V137 VanDerWaalsContact O-N 3.15Å
134V70.4Confident68.7Low14 Ų1459 Ų599%0.08532%0.317CS..Hα-helixtrans-61.7-38.5177.9179.20000111.2L117 P118 I120 R130 G131 V137 A138L117-V134 HydrophobicContact CB-CG1 4.06Å; L117-V134 HydrophobicContact CD2-CG1 4.26Å; P118-V134 WeakPolarHBondContact O-CG1 3.43Å; P118-V134 VanDerWaalsContact O-CG2 3.27Å; P118-V134 WeakPolarHBondContact O-CG2 3.25Å; I120-V134 HydrophobicContact CD1-CG1 4.24Å; I120-V134 HydrophobicContact CG1-CG1 3.7Å; R130-V134 PolarHBondContact O-N 2.93Å; G131-V134 PolarHBondContact O-N 3.15Å; V134-V137 PolarHBondContact O-N 3.03Å; V134-A138 PolarHBondContact O-N 3.43Å
135I73.6Confident71.1Confident14 Ų1457.6 Ų57.67%0.07231%0.306CS..Hα-helixtrans-64-43.6176.8-65.3156.1000111.4G131 Q133 V137 A138 R139 F167G131-I135 VanDerWaalsContact O-CD1 3.24Å; G131-I135 WeakPolarHBondContact O-CD1 3.4Å; G131-I135 VanDerWaalsContact O-CG1 3.3Å; G131-I135 WeakPolarHBondContact O-CG1 3.39Å; G131-I135 PolarHBondContact O-N 2.97Å; Q133-I135 VanDerWaalsContact C-N 3.27Å; Q133-I135 PolarHBondContact O-N 3.33Å; I135-V137 VanDerWaalsContact C-N 3.29Å; I135-V137 PolarHBondContact O-N 3.01Å; I135-A138 PolarHBondContact O-N 3.14Å; I135-R139 WeakPolarHBondContact O-CG 3.24Å; I135-R139 PolarHBondContact O-N 2.76Å; I135-R139 VanDerWaalsContact O-N 3.07Å; I135-F167 HydrophobicContact CB-CD1 4.5Å; I135-F167 HydrophobicContact CB-CG 4.37Å; I135-F167 HydrophobicContact CD1-CD1 3.36Å; I135-F167 HydrophobicContact CD1-CD2 4.06Å; I135-F167 HydrophobicContact CD1-CE1 3.15Å; I135-F167 HydrophobicContact CD1-CE2 3.89Å; I135-F167 HydrophobicContact CD1-CG 3.84Å; I135-F167 HydrophobicContact CD1-CZ 3.45Å; I135-F167 VanDerWaalsContact CD1-CZ 3.45Å; I135-F167 HydrophobicContact CG1-CD1 3.83Å; I135-F167 HydrophobicContact CG1-CD2 3.78Å; I135-F167 HydrophobicContact CG1-CE1 3.98Å; I135-F167 HydrophobicContact CG1-CE2 3.92Å; I135-F167 HydrophobicContact CG1-CG 3.75Å; I135-F167 HydrophobicContact CG1-CZ 4.03Å; I135-F167 HydrophobicContact CG2-CB 3.6Å; I135-F167 HydrophobicContact CG2-CD1 3.9Å; I135-F167 HydrophobicContact CG2-CD2 4.41Å; I135-F167 HydrophobicContact CG2-CG 3.69Å
136A76.1Confident73.5Confident57 Ų5749.8 Ų49.847%0.47127%0.271SS..Hα-helixtrans-59.6-43.2177.300000110.9R132 Q133 R139 T140R132-A136 PolarHBondContact O-N 3.2Å; R132-A136 VanDerWaalsContact O-N 3.13Å; Q133-A136 WeakPolarHBondContact O-CB 3.25Å; Q133-A136 PolarHBondContact O-N 3.21Å; A136-R139 PolarHBondContact O-N 3.45Å; A136-T140 WeakPolarHBondContact O-CG2 3.49Å; A136-T140 PolarHBondContact O-N 2.83Å
137V79.9Confident75.7Confident10 Ų1043.9 Ų43.96%0.06124%0.24CC..Hα-helixtrans-62.9-47.1175.7-179.30000111.2F56 V58 L115 L117 Q133 V134 I135 R139 T140 C141F56-V137 HydrophobicContact CD1-CG2 3.84Å; F56-V137 HydrophobicContact CE1-CG2 4.38Å; F56-V137 WeakPolarHBondContact O-CG2 3.48Å; V58-V137 HydrophobicContact CG2-CG2 4.46Å; L115-V137 HydrophobicContact CD1-CG1 3.81Å; L117-V137 HydrophobicContact CD2-CB 4.11Å; L117-V137 HydrophobicContact CD2-CG1 3.81Å; Q133-V137 PolarHBondContact O-N 3.21Å; Q133-V137 VanDerWaalsContact O-N 3.15Å; V134-V137 PolarHBondContact O-N 3.03Å; I135-V137 VanDerWaalsContact C-N 3.29Å; I135-V137 PolarHBondContact O-N 3.01Å; V137-R139 PolarHBondContact O-N 2.95Å; V137-T140 PolarHBondContact O-N 3.01Å; V137-T140 PolarHBondContact O-OG1 2.7Å; V137-C141 PolarHBondContact O-N 2.78Å
138A83.8Confident77.9Confident1 Ų141 Ų411%0.00821%0.21CC..Hα-helixtrans-56-38.4179.300000112.7L117 I120 V134 I135 T140 C141 I169 I240L117-A138 HydrophobicContact CD1-CB 3.76Å; L117-A138 HydrophobicContact CD2-CB 4.36Å; I120-A138 HydrophobicContact CD1-CB 4.11Å; V134-A138 PolarHBondContact O-N 3.43Å; I135-A138 PolarHBondContact O-N 3.14Å; A138-T140 PolarHBondContact O-N 3.37Å; A138-C141 WeakPolarHBondContact O-CB 3.36Å; A138-C141 PolarHBondContact O-N 2.87Å; A138-I169 HydrophobicContact CB-CD1 3.83Å; A138-I240 WeakPolarHBondContact O-CD1 3.39Å
139R84.3Confident80.1Confident48 Ų4834.5 Ų34.518%0.18118%0.183CC..Hα-helixtrans-69.2-16.7176.9-70.9-175.863.8-171-2.7114.3I42 I135 A136 V137 I169 N236 V238I42-R139 VanDerWaalsContact CG2-NH1 3.29Å; I135-R139 WeakPolarHBondContact O-CG 3.24Å; I135-R139 PolarHBondContact O-N 2.76Å; I135-R139 VanDerWaalsContact O-N 3.07Å; A136-R139 PolarHBondContact O-N 3.45Å; V137-R139 PolarHBondContact O-N 2.95Å; R139-I169 HydrophobicContact CG-CD1 4Å; R139-I169 HydrophobicContact CG-CG1 3.86Å; R139-N236 PolarHBondContact NH2-O 2.81Å; R139-N236 PolarHBondContact NH2-OD1 3.37Å; R139-V238 HydrophobicContact CB-CG2 4.3Å; R139-V238 HydrophobicContact CG-CG2 4.49Å
140T85.1Confident82.1Confident63 Ų6332.9 Ų32.939%0.38716%0.162SC..THydrogen-bonded Turntrans-95.1-5.4176.569.40000113.5R65 A136 V137 A138R65-T140 VanDerWaalsContact NH1-CB 3.27Å; R65-T140 PolarHBondContact NH1-OG1 2.69Å; A136-T140 WeakPolarHBondContact O-CG2 3.49Å; A136-T140 PolarHBondContact O-N 2.83Å; V137-T140 PolarHBondContact O-N 3.01Å; V137-T140 PolarHBondContact O-OG1 2.7Å; A138-T140 PolarHBondContact O-N 3.37Å
141C89.1Confident83.7Confident6 Ų628.8 Ų28.84%0.04115%0.153CC..  trans-68.9143176.9-66.90000110.7V137 A138 I144V137-C141 PolarHBondContact O-N 2.78Å; A138-C141 WeakPolarHBondContact O-CB 3.36Å; A138-C141 PolarHBondContact O-N 2.87Å; C141-I144 HydrophobicContact CB-CG1 4.33Å
142N91.4Very high85Confident52 Ų5235.5 Ų35.528%0.27818%0.179SC..SBendtrans-83.6-25.8172.7-63.4100.6000111.6R65 P241 L288R65-N142 PolarHBondContact N-OD1 2.85Å; R65-N142 WeakPolarHBondContact O-CB 3.5Å; R65-N142 PolarHBondContact O-N 3.26Å; N142-P241 VanDerWaalsContact O-CD 3.28Å; N142-P241 WeakPolarHBondContact O-CD 3.45Å; N142-P241 WeakPolarHBondContact O-CG 3.44Å; N142-L288 HydrophobicContact CB-CD2 3.55Å
143L94.1Very high86.2Confident0 Ų030.8 Ų30.80%017%0.165CC..EExtended strand (participates in β ladder)trans-146.9143.6179.1174.864.3000109.3R65 V66 G67 L145 P241 I243 M284 Y287 L288R65-L143 PolarHBondContact O-N 3.12Å; V66-L143 CarbonylContact C-O 3.55Å; V66-L143 WeakPolarHBondContact CA-O 3.14Å; V66-L143 HydrophobicContact CG1-CB 4.46Å; V66-L143 HydrophobicContact CG1-CD2 4.31Å; V66-L143 HydrophobicContact CG1-CG 4.34Å; V66-L143 HydrophobicContact CG2-CB 4.26Å; V66-L143 HydrophobicContact CG2-CD2 4.34Å; G67-L143 PolarHBondContact N-O 3.37Å; L143-L145 HydrophobicContact CD2-CD2 4.2Å; L143-L145 HydrophobicContact CG-CD2 4.31Å; L143-P241 HydrophobicContact CD1-CB 4Å; L143-P241 HydrophobicContact CD1-CG 4.14Å; L143-P241 WeakPolarHBondContact CD1-O 3.46Å; L143-I243 HydrophobicContact CD1-CD1 4.19Å; L143-I243 HydrophobicContact CD1-CG1 4.14Å; L143-I243 HydrophobicContact CD2-CD1 4.06Å; L143-M284 HydrophobicContact CD2-CB 4Å; L143-M284 HydrophobicContact CD2-CG 3.84Å; L143-Y287 HydrophobicContact CD1-CD1 4.16Å; L143-Y287 HydrophobicContact CD1-CG 4.41Å; L143-L288 HydrophobicContact CB-CD2 3.69Å; L143-L288 HydrophobicContact CB-CG 4.32Å; L143-L288 HydrophobicContact CD2-CD2 4.44Å; L143-L288 HydrophobicContact CD2-CG 4.19Å
144I94Very high87.5Confident0 Ų033.9 Ų33.90%018%0.183CC..EExtended strand (participates in β ladder)trans-114.2132172.2-66.5171.1000109.6G67 V69 C141 I146 L164 I169 L171 I240 P241 C242 I243G67-I144 CarbonylContact O-C 3.55Å; G67-I144 WeakPolarHBondContact O-CA 3.48Å; V69-I144 HydrophobicContact CB-CG2 4.43Å; V69-I144 HydrophobicContact CG2-CG2 3.8Å; C141-I144 HydrophobicContact CB-CG1 4.33Å; I144-I146 HydrophobicContact CG2-CG1 4.03Å; I144-L164 HydrophobicContact CD1-CD2 4.47Å; I144-I169 HydrophobicContact CD1-CD1 4.35Å; I144-I169 HydrophobicContact CD1-CG2 4.06Å; I144-L171 HydrophobicContact CD1-CD2 4.05Å; I144-I240 HydrophobicContact CD1-CB 4.47Å; I144-I240 HydrophobicContact CD1-CD1 4.13Å; I144-I240 HydrophobicContact CD1-CG2 4.27Å; I144-I240 HydrophobicContact CG1-CG2 4.1Å; I144-P241 PolarHBondContact N-O 3.17Å; I144-C242 CarbonylContact O-C 3.5Å; I144-C242 VanDerWaalsContact O-CA 3.23Å; I144-C242 WeakPolarHBondContact O-CA 3.27Å; I144-I243 PolarHBondContact O-N 3.1Å
145L94.4Very high88.4Confident0 Ų037.9 Ų37.90%021%0.207CC..EExtended strand (participates in β ladder)trans-103.1114.3170.5-58.7-176.8000108.6V66 G67 F68 V69 L143 I243 V245 L280 M284V66-L145 HydrophobicContact CG1-CD1 3.74Å; V66-L145 HydrophobicContact CG1-CD2 4.44Å; V66-L145 HydrophobicContact CG1-CG 3.65Å; G67-L145 PolarHBondContact O-N 2.88Å; F68-L145 HydrophobicContact CD1-CB 4.29Å; F68-L145 HydrophobicContact CD1-CD1 4.16Å; F68-L145 HydrophobicContact CE1-CD1 3.58Å; F68-L145 HydrophobicContact CE2-CD1 3.98Å; F68-L145 HydrophobicContact CZ-CD1 3.49Å; F68-L145 VanDerWaalsContact CZ-CD1 3.49Å; V69-L145 PolarHBondContact N-O 3Å; L143-L145 HydrophobicContact CD2-CD2 4.2Å; L143-L145 HydrophobicContact CG-CD2 4.31Å; L145-I243 WeakPolarHBondContact CA-O 3.29Å; L145-I243 HydrophobicContact CD2-CB 3.67Å; L145-I243 HydrophobicContact CD2-CD1 4.08Å; L145-I243 HydrophobicContact CD2-CG1 4.31Å; L145-I243 HydrophobicContact CD2-CG2 4.31Å; L145-V245 HydrophobicContact CB-CG2 4.17Å; L145-V245 HydrophobicContact CD2-CG2 4.32Å; L145-L280 HydrophobicContact CD2-CD1 4.49Å; L145-M284 HydrophobicContact CD1-CE 4.37Å; L145-M284 HydrophobicContact CD1-CG 4.4Å; L145-M284 HydrophobicContact CD1-SD 3.81Å; L145-M284 HydrophobicContact CD2-CG 4.11Å
146I94.1Very high89.1Confident0 Ų039.5 Ų39.50%021%0.214CC..EExtended strand (participates in β ladder)trans-93.2104.7174.4-64.3178.7000108V69 I144 L148 I160 L164 L171 C242 I243 Y244 V245V69-I146 CarbonylContact O-C 3.58Å; V69-I146 VanDerWaalsContact O-CA 3.32Å; V69-I146 WeakPolarHBondContact O-CA 3.48Å; I144-I146 HydrophobicContact CG2-CG1 4.03Å; I146-L148 HydrophobicContact CG2-CD1 4.31Å; I146-L148 HydrophobicContact CG2-CD2 3.79Å; I146-L148 HydrophobicContact CG2-CG 3.91Å; I146-I160 HydrophobicContact CD1-CG2 3.73Å; I146-I160 HydrophobicContact CG1-CG2 4.02Å; I146-I160 HydrophobicContact CG2-CD1 3.85Å; I146-I160 HydrophobicContact CG2-CG2 4.1Å; I146-L164 HydrophobicContact CD1-CD1 4.11Å; I146-L171 HydrophobicContact CD1-CD1 3.82Å; I146-C242 WeakPolarHBondContact CD1-SG 3.24Å; I146-C242 VanDerWaalsContact CG1-SG 3.56Å; I146-I243 PolarHBondContact N-O 2.98Å; I146-Y244 HydrophobicContact CB-CD1 3.99Å; I146-Y244 HydrophobicContact CB-CE1 4.32Å; I146-Y244 HydrophobicContact CD1-CD1 4.34Å; I146-Y244 HydrophobicContact CD1-CE1 3.79Å; I146-Y244 HydrophobicContact CG2-CD1 4.17Å; I146-Y244 HydrophobicContact CG2-CE1 4.46Å; I146-V245 PolarHBondContact O-N 3.38Å
147V92.6Very high89.8Confident0 Ų039.7 Ų39.70%020%0.204CC..EExtended strand (participates in β ladder)trans-85.3119.1179.5-1680000109.5F68 V69 V74 L79 V245 N247F68-V147 HydrophobicContact CD1-CG2 4.16Å; V69-V147 PolarHBondContact O-N 2.69Å; V74-V147 HydrophobicContact CB-CG1 4.43Å; V74-V147 HydrophobicContact CG2-CB 4.01Å; V74-V147 HydrophobicContact CG2-CG1 3.74Å; L79-V147 HydrophobicContact CD2-CG2 4.05Å; V147-V245 HydrophobicContact CG2-CB 4.44Å; V147-N247 HydrophobicContact CG1-CB 4.35Å
148L93.4Very high90.3Very high2 Ų246.3 Ų46.31%0.0123%0.232CC..EExtended strand (participates in β ladder)trans-122.7154.8-178.6-57.5172.7000110I146 P153 H156 K157 I160 Y244 V245 L246 N247I146-L148 HydrophobicContact CG2-CD1 4.31Å; I146-L148 HydrophobicContact CG2-CD2 3.79Å; I146-L148 HydrophobicContact CG2-CG 3.91Å; L148-P153 HydrophobicContact CB-CB 4.2Å; L148-P153 HydrophobicContact CD1-CB 4.12Å; L148-H156 HydrophobicContact CD2-CB 3.78Å; L148-K157 HydrophobicContact CD1-CB 3.9Å; L148-K157 HydrophobicContact CD1-CG 4.45Å; L148-K157 HydrophobicContact CD2-CB 4.35Å; L148-I160 HydrophobicContact CD2-CD1 4.15Å; L148-Y244 HydrophobicContact CD1-CD1 4.17Å; L148-V245 PolarHBondContact N-O 3.38Å; L148-L246 HydrophobicContact CB-CD2 3.78Å; L148-L246 HydrophobicContact CD1-CD2 3.91Å; L148-L246 HydrophobicContact CG-CD2 4.41Å; L148-N247 PolarHBondContact O-N 3.03Å
149D92.3Very high90.5Very high23 Ų2350.5 Ų50.512%0.12325%0.254CS..EExtended strand (participates in β ladder)trans-84.7126.6166.7-170.4-37.9000108.5V74 L151 K152 P153 K248V74-D149 HydrophobicContact CG1-CB 4.45Å; D149-L151 PolarHBondContact O-N 2.81Å; D149-L151 WeakPolarHBondContact OD1-CB 3.44Å; D149-L151 PolarHBondContact OD1-N 3.42Å; D149-K152 CarbonylContact O-C 3.56Å; D149-K152 PolarHBondContact O-N 2.7Å; D149-K152 VanDerWaalsContact O-N 3.14Å; D149-P153 WeakPolarHBondContact O-CA 3.47Å; D149-P153 WeakPolarHBondContact O-CD 3.44Å; D149-P153 VanDerWaalsContact O-N 3.12Å; D149-K248 WeakPolarHBondContact OD2-CD 3.43Å; D149-K248 WeakPolarHBondContact OD2-CE 3.3Å; D149-K248 IonicContact OD2-NZ 3.45Å; D149-K248 PolarHBondContact OD2-NZ 2.88Å
150V91.6Very high90.7Very high18 Ų1848.2 Ų48.211%0.10925%0.246CC..THydrogen-bonded Turntrans-60.6-25.1-178.172.20000113.2P153 L246 N247 K248 I252 I260V150-P153 VanDerWaalsContact O-CD 3.28Å; V150-P153 WeakPolarHBondContact O-CD 3.49Å; V150-L246 HydrophobicContact CB-CB 4.38Å; V150-L246 HydrophobicContact CG2-CB 4.39Å; V150-L246 HydrophobicContact CG2-CD1 4.38Å; V150-N247 WeakPolarHBondContact CB-O 3.42Å; V150-N247 WeakPolarHBondContact CG1-O 3.35Å; V150-N247 PolarHBondContact N-O 3.4Å; V150-K248 HydrophobicContact CG1-CB 4.42Å; V150-K248 WeakPolarHBondContact CG1-O 3.35Å; V150-I252 HydrophobicContact CG1-CG2 3.84Å; V150-I252 HydrophobicContact CG2-CD1 4.22Å; V150-I252 HydrophobicContact CG2-CG2 4.16Å; V150-I260 HydrophobicContact CG2-CD1 3.59Å
151L89.3Confident91Very high96 Ų9647.5 Ų47.550%0.50324%0.238SC..THydrogen-bonded Turntrans-77.3-27.8178.4-64.4-173.6000113.5D149D149-L151 PolarHBondContact O-N 2.81Å; D149-L151 WeakPolarHBondContact OD1-CB 3.44Å; D149-L151 PolarHBondContact OD1-N 3.42Å
152K88.9Confident90.8Very high155 Ų15551.7 Ų51.767%0.67426%0.256SS*.SBendtrans-138.652.2-177.1-61.1-178.3-176.1174.70112.7D149D149-K152 CarbonylContact O-C 3.56Å; D149-K152 PolarHBondContact O-N 2.7Å; D149-K152 VanDerWaalsContact O-N 3.14Å
153P88.8Confident90.5Very high29 Ų2951.4 Ų51.419%0.18825%0.253CS..Hα-helixtrans-76.9-32-17029.8-34.6000112.4L148 D149 V150 V155 K157 L246L148-P153 HydrophobicContact CB-CB 4.2Å; L148-P153 HydrophobicContact CD1-CB 4.12Å; D149-P153 WeakPolarHBondContact O-CA 3.47Å; D149-P153 WeakPolarHBondContact O-CD 3.44Å; D149-P153 VanDerWaalsContact O-N 3.12Å; V150-P153 VanDerWaalsContact O-CD 3.28Å; V150-P153 WeakPolarHBondContact O-CD 3.49Å; P153-V155 PolarHBondContact O-N 3.25Å; P153-K157 WeakPolarHBondContact O-CB 3.44Å; P153-K157 PolarHBondContact O-N 2.92Å; P153-L246 HydrophobicContact CB-CD2 3.97Å
154L90.4Very high90.1Very high124 Ų12451.4 Ų51.465%0.64925%0.253SS*.Hα-helixtrans-67.1-42.9-166.9-62179000113.9K158L154-K158 WeakPolarHBondContact O-CG 3.44Å; L154-K158 PolarHBondContact O-N 3.48Å
155V88.9Confident89.8Confident98 Ų9854.6 Ų54.659%0.59427%0.269SS*.Hα-helixtrans-68.6-48.6-178.1179.20000109.8P153 K157 K158 L159P153-V155 PolarHBondContact O-N 3.25Å; V155-K157 PolarHBondContact O-N 3.31Å; V155-K158 PolarHBondContact O-N 3.22Å; V155-L159 HydrophobicContact CG1-CD1 4.18Å; V155-L159 WeakPolarHBondContact O-CG 3.43Å; V155-L159 PolarHBondContact O-N 3.39Å
156H88.8Confident89.2Confident48 Ų4855 Ų5522%0.22227%0.273CS..Hα-helixtrans-65.2-41-179.8-68.3179.2000111.9F71 L148 L159 I160F71-H156 HydrophobicContact CD2-CB 3.6Å; F71-H156 AromaticContact CD2-CD2 3.7Å; F71-H156 AromaticContact CD2-CG 3.38Å; F71-H156 AromaticContact CD2-ND1 3.69Å; F71-H156 HydrophobicContact CE2-CB 3.64Å; F71-H156 AromaticContact CE2-CD2 3.65Å; F71-H156 AromaticContact CE2-CG 3.62Å; F71-H156 AromaticContact CG-ND1 3.98Å; F71-H156 AromaticContact CZ-CD2 3.99Å; L148-H156 HydrophobicContact CD2-CB 3.78Å; H156-L159 PolarHBondContact O-N 3.07Å; H156-I160 WeakPolarHBondContact O-CB 3.3Å; H156-I160 VanDerWaalsContact O-CG1 3.24Å; H156-I160 WeakPolarHBondContact O-CG1 3.33Å; H156-I160 PolarHBondContact O-N 3.45Å
157K91.8Very high88.5Confident60 Ų6056.1 Ų56.126%0.26128%0.278SS..Hα-helixtrans-55.3-53.7175.1177.8175.6174.3174.30111.5L148 P153 V155 L159 I160 E161 Y244L148-K157 HydrophobicContact CD1-CB 3.9Å; L148-K157 HydrophobicContact CD1-CG 4.45Å; L148-K157 HydrophobicContact CD2-CB 4.35Å; P153-K157 WeakPolarHBondContact O-CB 3.44Å; P153-K157 PolarHBondContact O-N 2.92Å; V155-K157 PolarHBondContact O-N 3.31Å; K157-L159 VanDerWaalsContact C-N 3.32Å; K157-L159 PolarHBondContact O-N 3.08Å; K157-I160 PolarHBondContact O-N 3.47Å; K157-E161 WeakPolarHBondContact CE-OE1 3.42Å; K157-E161 HydrophobicContact CG-CG 4.32Å; K157-E161 IonicContact NZ-OE1 2.76Å; K157-E161 WeakPolarHBondContact O-CB 3.27Å; K157-E161 WeakPolarHBondContact O-CG 3.48Å; K157-E161 PolarHBondContact O-N 3.32Å; K157-Y244 HydrophobicContact CD-CD1 4.37Å; K157-Y244 HydrophobicContact CD-CE1 4.11Å; K157-Y244 HydrophobicContact CG-CD1 4.5Å; K157-Y244 HydrophobicContact CG-CE1 4.06Å
158K90.4Very high88.1Confident149 Ų14956.2 Ų56.265%0.64828%0.279SS*.Hα-helixtrans-59.6-41.4-178.3-74.8178.6179.7-177.50112.6L154 V155 H162L154-K158 WeakPolarHBondContact O-CG 3.44Å; L154-K158 PolarHBondContact O-N 3.48Å; V155-K158 PolarHBondContact O-N 3.22Å; K158-H162 VanDerWaalsContact O-CB 3.31Å; K158-H162 WeakPolarHBondContact O-CB 3.36Å; K158-H162 PolarHBondContact O-N 3.01Å
159L87.3Confident87.9Confident90 Ų9056.2 Ų56.247%0.47128%0.278SS..Hα-helixtrans-66.3-45.5178.7-69.4173000111.5F71 V155 H156 K157 H162 E163F71-L159 HydrophobicContact CE2-CB 4.36Å; F71-L159 HydrophobicContact CE2-CD1 4.44Å; F71-L159 HydrophobicContact CZ-CB 4.19Å; F71-L159 HydrophobicContact CZ-CD1 3.73Å; V155-L159 HydrophobicContact CG1-CD1 4.18Å; V155-L159 WeakPolarHBondContact O-CG 3.43Å; V155-L159 PolarHBondContact O-N 3.39Å; H156-L159 PolarHBondContact O-N 3.07Å; K157-L159 VanDerWaalsContact C-N 3.32Å; K157-L159 PolarHBondContact O-N 3.08Å; L159-H162 PolarHBondContact O-N 3.27Å; L159-E163 WeakPolarHBondContact O-CG 3.19Å; L159-E163 PolarHBondContact O-N 3Å
160I88.4Confident87.9Confident0 Ų056.1 Ų56.10%028%0.276CS..Hα-helixtrans-64.7-45179.3-67.4167.4000111.2V69 F71 I121 I146 L148 H156 K157 H162 E163 L164V69-I160 HydrophobicContact CB-CG2 4.39Å; V69-I160 HydrophobicContact CG1-CD1 4.45Å; V69-I160 HydrophobicContact CG1-CG1 4.38Å; V69-I160 HydrophobicContact CG1-CG2 3.59Å; F71-I160 HydrophobicContact CD2-CD1 4.11Å; F71-I160 HydrophobicContact CD2-CG1 4.43Å; F71-I160 HydrophobicContact CE2-CD1 4.22Å; F71-I160 HydrophobicContact CE2-CG1 4.1Å; I121-I160 HydrophobicContact CD1-CD1 3.78Å; I121-I160 HydrophobicContact CD1-CG1 3.65Å; I121-I160 HydrophobicContact CG1-CG1 3.97Å; I146-I160 HydrophobicContact CD1-CG2 3.73Å; I146-I160 HydrophobicContact CG1-CG2 4.02Å; I146-I160 HydrophobicContact CG2-CD1 3.85Å; I146-I160 HydrophobicContact CG2-CG2 4.1Å; L148-I160 HydrophobicContact CD2-CD1 4.15Å; H156-I160 WeakPolarHBondContact O-CB 3.3Å; H156-I160 VanDerWaalsContact O-CG1 3.24Å; H156-I160 WeakPolarHBondContact O-CG1 3.33Å; H156-I160 PolarHBondContact O-N 3.45Å; K157-I160 PolarHBondContact O-N 3.47Å; I160-H162 VanDerWaalsContact C-N 3.34Å; I160-H162 PolarHBondContact O-N 3.49Å; I160-E163 PolarHBondContact O-N 2.95Å; I160-L164 HydrophobicContact CG2-CD1 3.67Å; I160-L164 HydrophobicContact CG2-CG 4.32Å; I160-L164 WeakPolarHBondContact O-CB 3.41Å; I160-L164 VanDerWaalsContact O-CG 3.32Å; I160-L164 WeakPolarHBondContact O-CG 3.36Å; I160-L164 PolarHBondContact O-N 3.48Å
161E90.2Very high88Confident48 Ų4856 Ų5622%0.22428%0.275CS..Hα-helixtrans-58.6-46.5175.9-74.3174.516200111K157 E163 L164 E165 L171 Y244K157-E161 WeakPolarHBondContact CE-OE1 3.42Å; K157-E161 HydrophobicContact CG-CG 4.32Å; K157-E161 IonicContact NZ-OE1 2.76Å; K157-E161 WeakPolarHBondContact O-CB 3.27Å; K157-E161 WeakPolarHBondContact O-CG 3.48Å; K157-E161 PolarHBondContact O-N 3.32Å; E161-E163 PolarHBondContact O-N 3.47Å; E161-L164 PolarHBondContact O-N 3.29Å; E161-E165 WeakPolarHBondContact O-CB 3.22Å; E161-E165 WeakPolarHBondContact O-CG 3.37Å; E161-E165 PolarHBondContact O-N 3Å; E161-L171 HydrophobicContact CG-CD1 4.16Å; E161-Y244 PolarHBondContact OE1-OH 3.47Å
162H86.5Confident88.2Confident93 Ų9353.8 Ų53.843%0.43126%0.264SS..Hα-helixtrans-61.4-44-179.5-173.179.8000112.8R38 K158 L159 I160 G166R38-H162 PolarHBondContact NH2-NE2 3.17Å; K158-H162 VanDerWaalsContact O-CB 3.31Å; K158-H162 WeakPolarHBondContact O-CB 3.36Å; K158-H162 PolarHBondContact O-N 3.01Å; L159-H162 PolarHBondContact O-N 3.27Å; I160-H162 VanDerWaalsContact C-N 3.34Å; I160-H162 PolarHBondContact O-N 3.49Å; H162-G166 PolarHBondContact O-N 3.33Å
163E83.9Confident88.3Confident46 Ų4650.9 Ų50.922%0.21525%0.251CS..Hα-helixtrans-65.2-49.4177.6-71.7-67.4154.700111I120 L159 I160 E161 E165 G166 F167I120-E163 HydrophobicContact CG2-CB 4Å; L159-E163 WeakPolarHBondContact O-CG 3.19Å; L159-E163 PolarHBondContact O-N 3Å; I160-E163 PolarHBondContact O-N 2.95Å; E161-E163 PolarHBondContact O-N 3.47Å; E163-E165 VanDerWaalsContact C-N 3.35Å; E163-E165 PolarHBondContact O-N 3.17Å; E163-G166 WeakPolarHBondContact O-CA 3.49Å; E163-G166 PolarHBondContact O-N 3.15Å; E163-F167 HydrophobicContact CB-CE2 4.25Å; E163-F167 WeakPolarHBondContact O-CD2 3.49Å; E163-F167 WeakPolarHBondContact O-CE2 3.49Å; E163-F167 PolarHBondContact O-N 3.13Å; E163-F167 VanDerWaalsContact O-N 3.09Å
164L86.8Confident88.2Confident0 Ų057 Ų570%028%0.277CS..Hα-helixtrans-60.8-42.6178.9-70.7171.8000112.1I120 I144 I146 I160 E161 G166 F167 G168 I169 L171I120-L164 HydrophobicContact CD1-CD2 3.91Å; I120-L164 HydrophobicContact CG2-CD2 4.21Å; I120-L164 HydrophobicContact CG2-CG 4.47Å; I144-L164 HydrophobicContact CD1-CD2 4.47Å; I146-L164 HydrophobicContact CD1-CD1 4.11Å; I160-L164 HydrophobicContact CG2-CD1 3.67Å; I160-L164 HydrophobicContact CG2-CG 4.32Å; I160-L164 WeakPolarHBondContact O-CB 3.41Å; I160-L164 VanDerWaalsContact O-CG 3.32Å; I160-L164 WeakPolarHBondContact O-CG 3.36Å; I160-L164 PolarHBondContact O-N 3.48Å; E161-L164 PolarHBondContact O-N 3.29Å; L164-G166 VanDerWaalsContact C-N 3.3Å; L164-G166 PolarHBondContact O-N 3.18Å; L164-F167 PolarHBondContact O-N 3.27Å; L164-F167 VanDerWaalsContact O-N 3.16Å; L164-G168 PolarHBondContact O-N 3.26Å; L164-I169 HydrophobicContact CB-CB 4.43Å; L164-I169 HydrophobicContact CD2-CD1 3.88Å; L164-I169 WeakPolarHBondContact O-CB 3.47Å; L164-I169 PolarHBondContact O-N 3.45Å; L164-I169 VanDerWaalsContact O-N 3.07Å; L164-L171 HydrophobicContact CB-CD1 4.41Å; L164-L171 HydrophobicContact CD1-CD1 3.83Å; L164-L171 HydrophobicContact CD1-CD2 4.06Å; L164-L171 HydrophobicContact CD1-CG 4.44Å
165E87.3Confident88.1Confident68 Ų6854.9 Ų54.932%0.31827%0.271SS..Hα-helixtrans-64.6-35.3174.5-74.2-167.6153.500112.3E161 E163 F167 G168 I169 R170 K173E161-E165 WeakPolarHBondContact O-CB 3.22Å; E161-E165 WeakPolarHBondContact O-CG 3.37Å; E161-E165 PolarHBondContact O-N 3Å; E163-E165 VanDerWaalsContact C-N 3.35Å; E163-E165 PolarHBondContact O-N 3.17Å; E165-F167 PolarHBondContact O-N 3.42Å; E165-G168 PolarHBondContact O-N 3.4Å; E165-G168 VanDerWaalsContact O-N 3.08Å; E165-I169 WeakPolarHBondContact CA-O 3.4Å; E165-R170 PolarHBondContact O-NH1 2.89Å; E165-K173 IonicContact OE1-NZ 3.88Å; E165-K173 PolarHBondContact OE1-NZ 3.34Å
166G81.4Confident88Confident8 Ų851.5 Ų51.58%0.08225%0.251CS..Hα-helixtrans-62.7-29.2173.200000114R38 H162 E163 L164 G168R38-G166 WeakPolarHBondContact CD-O 3.16Å; H162-G166 PolarHBondContact O-N 3.33Å; E163-G166 WeakPolarHBondContact O-CA 3.49Å; E163-G166 PolarHBondContact O-N 3.15Å; L164-G166 VanDerWaalsContact C-N 3.3Å; L164-G166 PolarHBondContact O-N 3.18Å; G166-G168 VanDerWaalsContact C-N 3.28Å; G166-G168 PolarHBondContact O-N 3.16Å
167F79.8Confident88Confident24 Ų2453.5 Ų53.511%0.10526%0.263CS..THydrogen-bonded Turntrans-88.38.5174.9-59.7-53.2000114.5I42 A124 I135 E163 L164 E165 I169I42-F167 WeakPolarHBondContact CD1-O 3.41Å; A124-F167 HydrophobicContact CB-CZ 3.93Å; I135-F167 HydrophobicContact CB-CD1 4.5Å; I135-F167 HydrophobicContact CB-CG 4.37Å; I135-F167 HydrophobicContact CD1-CD1 3.36Å; I135-F167 HydrophobicContact CD1-CD2 4.06Å; I135-F167 HydrophobicContact CD1-CE1 3.15Å; I135-F167 HydrophobicContact CD1-CE2 3.89Å; I135-F167 HydrophobicContact CD1-CG 3.84Å; I135-F167 HydrophobicContact CD1-CZ 3.45Å; I135-F167 VanDerWaalsContact CD1-CZ 3.45Å; I135-F167 HydrophobicContact CG1-CD1 3.83Å; I135-F167 HydrophobicContact CG1-CD2 3.78Å; I135-F167 HydrophobicContact CG1-CE1 3.98Å; I135-F167 HydrophobicContact CG1-CE2 3.92Å; I135-F167 HydrophobicContact CG1-CG 3.75Å; I135-F167 HydrophobicContact CG1-CZ 4.03Å; I135-F167 HydrophobicContact CG2-CB 3.6Å; I135-F167 HydrophobicContact CG2-CD1 3.9Å; I135-F167 HydrophobicContact CG2-CD2 4.41Å; I135-F167 HydrophobicContact CG2-CG 3.69Å; E163-F167 HydrophobicContact CB-CE2 4.25Å; E163-F167 WeakPolarHBondContact O-CD2 3.49Å; E163-F167 WeakPolarHBondContact O-CE2 3.49Å; E163-F167 PolarHBondContact O-N 3.13Å; E163-F167 VanDerWaalsContact O-N 3.09Å; L164-F167 PolarHBondContact O-N 3.27Å; L164-F167 VanDerWaalsContact O-N 3.16Å; E165-F167 PolarHBondContact O-N 3.42Å; F167-I169 VanDerWaalsContact C-N 3.33Å
168G84.4Confident87.8Confident2 Ų251.4 Ų51.42%0.02125%0.254CS..THydrogen-bonded Turntrans77.119.1177.500000114L164 E165 G166 R237 V238L164-G168 PolarHBondContact O-N 3.26Å; E165-G168 PolarHBondContact O-N 3.4Å; E165-G168 VanDerWaalsContact O-N 3.08Å; G166-G168 VanDerWaalsContact C-N 3.28Å; G166-G168 PolarHBondContact O-N 3.16Å; G168-R237 WeakPolarHBondContact O-CA 3.35Å; G168-R237 VanDerWaalsContact O-CD 3.28Å; G168-R237 WeakPolarHBondContact O-CD 3.45Å; G168-V238 PolarHBondContact O-N 3.36Å
169I89.6Confident87.7Confident1 Ų145.2 Ų45.21%0.00523%0.233CC..EExtended strand (participates in β ladder)trans-87.8136.1167.5-60.3170.4000107.7A138 R139 I144 L164 E165 F167 L171 V238 I240A138-I169 HydrophobicContact CB-CD1 3.83Å; R139-I169 HydrophobicContact CG-CD1 4Å; R139-I169 HydrophobicContact CG-CG1 3.86Å; I144-I169 HydrophobicContact CD1-CD1 4.35Å; I144-I169 HydrophobicContact CD1-CG2 4.06Å; L164-I169 HydrophobicContact CB-CB 4.43Å; L164-I169 HydrophobicContact CD2-CD1 3.88Å; L164-I169 WeakPolarHBondContact O-CB 3.47Å; L164-I169 PolarHBondContact O-N 3.45Å; L164-I169 VanDerWaalsContact O-N 3.07Å; E165-I169 WeakPolarHBondContact CA-O 3.4Å; F167-I169 VanDerWaalsContact C-N 3.33Å; I169-L171 HydrophobicContact CG2-CD2 3.93Å; I169-V238 CarbonylContact C-O 3.58Å; I169-V238 WeakPolarHBondContact CA-O 3.37Å; I169-I240 HydrophobicContact CG1-CD1 4.4Å; I169-I240 HydrophobicContact CG2-CB 4.29Å; I169-I240 HydrophobicContact CG2-CD1 3.9Å; I169-I240 HydrophobicContact CG2-CG1 4.14Å
170R92.4Very high87.9Confident22 Ų2243.4 Ų43.48%0.08322%0.222CC..EExtended strand (participates in β ladder)trans-117.9110.4175.6-65-65.4177-100.34.9108.2E165 K173 D231 R237 V238 Y239 I240E165-R170 PolarHBondContact O-NH1 2.89Å; R170-K173 HydrophobicContact CB-CB 4.23Å; R170-K173 HydrophobicContact CB-CD 4.34Å; R170-D231 IonicContact CZ-OD1 2.82Å; R170-D231 IonicContact CZ-OD2 3.15Å; R170-D231 IonicContact NE-OD1 2.79Å; R170-D231 IonicContact NE-OD2 2.77Å; R170-D231 PolarHBondContact NE-OD2 3.38Å; R170-D231 IonicContact NH2-OD1 2.74Å; R170-D231 PolarHBondContact NH2-OD1 3.25Å; R170-D231 IonicContact NH2-OD2 3.51Å; R170-D231 PolarHBondContact NH2-OD2 3.46Å; R170-R237 VanDerWaalsContact NH2-NE 3.18Å; R170-V238 PolarHBondContact N-O 3.27Å; R170-Y239 HydrophobicContact CB-CD1 3.58Å; R170-Y239 HydrophobicContact CB-CE1 3.79Å; R170-Y239 HydrophobicContact CB-CG 4.29Å; R170-Y239 HydrophobicContact CG-CD1 4.18Å; R170-Y239 HydrophobicContact CG-CE1 3.89Å; R170-Y239 WeakPolarHBondContact O-CA 3.06Å; R170-I240 PolarHBondContact O-N 3.2Å
171L93.1Very high88Confident14 Ų1450.3 Ų50.37%0.07325%0.252CS..EExtended strand (participates in β ladder)trans-82.4129.4-175.4-57168.9000110.2I144 I146 E161 L164 I169 K173 I240 C242I144-L171 HydrophobicContact CD1-CD2 4.05Å; I146-L171 HydrophobicContact CD1-CD1 3.82Å; E161-L171 HydrophobicContact CG-CD1 4.16Å; L164-L171 HydrophobicContact CB-CD1 4.41Å; L164-L171 HydrophobicContact CD1-CD1 3.83Å; L164-L171 HydrophobicContact CD1-CD2 4.06Å; L164-L171 HydrophobicContact CD1-CG 4.44Å; I169-L171 HydrophobicContact CG2-CD2 3.93Å; L171-K173 PolarHBondContact O-N 3.47Å; L171-I240 WeakPolarHBondContact CA-O 3.3Å; L171-C242 HydrophobicContact CB-CB 3.94Å; L171-C242 HydrophobicContact CD2-CB 3.78Å; L171-C242 HydrophobicContact CG-CB 4.32Å
172N92.9Very high88Confident51 Ų5154.2 Ų54.227%0.27327%0.268SS..THydrogen-bonded Turntrans53.322.6175.7-65-32.3000115.4I240 C242N172-I240 PolarHBondContact N-O 3.47Å; N172-I240 VanDerWaalsContact N-O 3.14Å; N172-C242 PolarHBondContact ND2-O 3.34Å; N172-C242 PolarHBondContact OD1-N 3.18Å; N172-C242 PolarHBondContact OD1-O 2.76Å
173K90.7Very high88.2Confident94 Ų9453.7 Ų53.741%0.40927%0.265SS..  trans-107.3149.7177.2-71.8171.7-179.6172.60109.7E165 R170 L171 Y239E165-K173 IonicContact OE1-NZ 3.88Å; E165-K173 PolarHBondContact OE1-NZ 3.34Å; R170-K173 HydrophobicContact CB-CB 4.23Å; R170-K173 HydrophobicContact CB-CD 4.34Å; L171-K173 PolarHBondContact O-N 3.47Å; K173-Y239 HydrophobicContact CB-CD1 4.16Å; K173-Y239 HydrophobicContact CB-CE1 4.45Å; K173-Y239 WeakPolarHBondContact O-CD1 3.36Å
174Q87.6Confident88.4Confident158 Ų15858.9 Ų58.974%0.73829%0.294SS*.PPolyproline II helixtrans-94.6153.3168.5-67.1-63.1-22.800109.9
175P87.8Confident88.4Confident79 Ų7967.5 Ų67.551%0.51333%0.331SS..PPolyproline II helixtrans-53.8127.8171.2-24.133.3000110.7Y239P175-Y239 HydrophobicContact CB-CD2 4.46Å; P175-Y239 HydrophobicContact CB-CE2 4.13Å; P175-Y239 HydrophobicContact CG-CD2 3.83Å; P175-Y239 HydrophobicContact CG-CE2 4Å; P175-Y239 HydrophobicContact CG-CG 4.12Å
176P87.1Confident88.3Confident27 Ų2767 Ų6718%0.17534%0.344CS..PPolyproline II helixtrans-66.8141.1-177.228.8-35.4000110.3I178 D228 V232 Y239P176-I178 VanDerWaalsContact C-N 3.25Å; P176-I178 HydrophobicContact CB-CD1 4.08Å; P176-I178 HydrophobicContact CB-CG1 4.2Å; P176-I178 HydrophobicContact CG-CD1 4.13Å; P176-I178 PolarHBondContact O-N 2.9Å; P176-D228 HydrophobicContact CB-CB 4.01Å; P176-D228 HydrophobicContact CG-CB 4.03Å; P176-V232 HydrophobicContact CG-CG2 3.6Å; P176-Y239 WeakPolarHBondContact CD-OH 2.93Å
177N87.9Confident88.6Confident89 Ų8968 Ų6848%0.47636%0.355SS..  trans-81.771.8-176.5-169.1-6.6000111.4R221N177-R221 PolarHBondContact O-N 3.07Å; N177-R221 PolarHBondContact OD1-NH1 3.46Å
178I88.6Confident89.1Confident16 Ų1668.6 Ų68.68%0.08236%0.359CS..EExtended strand (participates in β ladder)trans-112.8119.2179.1-56171.4000108.3P176 F180 I218 L220 V224 D228 V232P176-I178 VanDerWaalsContact C-N 3.25Å; P176-I178 HydrophobicContact CB-CD1 4.08Å; P176-I178 HydrophobicContact CB-CG1 4.2Å; P176-I178 HydrophobicContact CG-CD1 4.13Å; P176-I178 PolarHBondContact O-N 2.9Å; I178-F180 PolarHBondContact O-N 3.49Å; I178-I218 HydrophobicContact CG2-CG2 4.32Å; I178-L220 HydrophobicContact CD1-CD2 4.42Å; I178-L220 HydrophobicContact CG1-CD2 4.06Å; I178-L220 HydrophobicContact CG2-CD2 3.91Å; I178-V224 HydrophobicContact CD1-CB 4.48Å; I178-V224 HydrophobicContact CD1-CG1 3.43Å; I178-V224 VanDerWaalsContact CD1-CG1 3.43Å; I178-V224 HydrophobicContact CD1-CG2 4.14Å; I178-V224 HydrophobicContact CG1-CG1 4.11Å; I178-V224 HydrophobicContact CG1-CG2 3.92Å; I178-D228 HydrophobicContact CD1-CB 4.41Å; I178-V232 HydrophobicContact CB-CG1 4.36Å; I178-V232 HydrophobicContact CB-CG2 4.14Å; I178-V232 HydrophobicContact CD1-CB 4.38Å; I178-V232 HydrophobicContact CD1-CG2 3.87Å; I178-V232 HydrophobicContact CG1-CG2 4.4Å; I178-V232 HydrophobicContact CG2-CG1 4.38Å
179G88.7Confident89.4Confident20 Ų2071.8 Ų71.821%0.20638%0.376CS..EExtended strand (participates in β ladder)trans-82107.5168.700000109.5I218 T219G179-I218 WeakPolarHBondContact O-CA 3.49Å; G179-T219 WeakPolarHBondContact CA-OG1 3.41Å; G179-T219 PolarHBondContact N-O 3.29Å; G179-T219 PolarHBondContact N-OG1 3.01Å; G179-T219 PolarHBondContact O-N 3.46Å; G179-T219 PolarHBondContact O-OG1 2.98Å; G179-T219 VanDerWaalsContact O-OG1 3.07Å
180F90.5Very high89.3Confident52 Ų5274.4 Ų74.423%0.22839%0.387CS..EExtended strand (participates in β ladder)trans-114.5118.9178.1173.5-106000110.3I178 K182 L208 I213 A216 D217 I218 V232 V233I178-F180 PolarHBondContact O-N 3.49Å; F180-K182 HydrophobicContact CE1-CD 4.29Å; F180-K182 HydrophobicContact CE1-CG 3.74Å; F180-K182 HydrophobicContact CE2-CG 4.49Å; F180-K182 HydrophobicContact CZ-CD 4.21Å; F180-K182 HydrophobicContact CZ-CG 3.54Å; F180-L208 HydrophobicContact CE2-CD2 4.02Å; F180-I213 HydrophobicContact CZ-CD1 4.05Å; F180-A216 HydrophobicContact CE2-CB 3.9Å; F180-D217 WeakPolarHBondContact CA-O 3.31Å; F180-I218 HydrophobicContact CD2-CD1 4.5Å; F180-I218 HydrophobicContact CD2-CG1 3.96Å; F180-V232 HydrophobicContact CB-CG1 3.74Å; F180-V232 HydrophobicContact CG-CG1 4.36Å; F180-V233 HydrophobicContact CE2-CG2 4.3Å
181K91.2Very high89.1Confident144 Ų14477.1 Ų77.163%0.62641%0.406SS*.EExtended strand (participates in β ladder)trans-131.9115.8178.3-173.1177-179.4178.60110.6A216 D217K181-A216 CarbonylContact O-C 3.42Å; K181-A216 WeakPolarHBondContact O-CA 3.49Å; K181-D217 HydrophobicContact CB-CB 4.43Å; K181-D217 PolarHBondContact N-O 3.45Å; K181-D217 PolarHBondContact O-N 3.36Å
182K90Very high88.8Confident131 Ų13178.6 Ų78.657%0.5742%0.42SS*.EExtended strand (participates in β ladder)trans-69.9141.2173.7-65.4-174.9-178.9177.90110.3F180F180-K182 HydrophobicContact CE1-CD 4.29Å; F180-K182 HydrophobicContact CE1-CG 3.74Å; F180-K182 HydrophobicContact CE2-CG 4.49Å; F180-K182 HydrophobicContact CZ-CD 4.21Å; F180-K182 HydrophobicContact CZ-CG 3.54Å
183K90.9Very high88.5Confident82 Ų8281.4 Ų81.436%0.35744%0.439SS..  trans-121160.6176.8-77.9-180159.11650110N189 N215 D217K183-N189 PolarHBondContact NZ-ND2 2.85Å; K183-N215 HydrophobicContact CB-CB 4.1Å; K183-N215 PolarHBondContact N-O 3.1Å; K183-N215 WeakPolarHBondContact O-CB 3.38Å; K183-D217 WeakPolarHBondContact CD-OD1 3.46Å; K183-D217 VanDerWaalsContact CE-OD1 3.28Å; K183-D217 WeakPolarHBondContact CE-OD1 3.48Å; K183-D217 WeakPolarHBondContact CE-OD2 3.43Å; K183-D217 IonicContact NZ-OD1 2.71Å; K183-D217 PolarHBondContact NZ-OD1 3.34Å; K183-D217 IonicContact NZ-OD2 2.72Å; K183-D217 PolarHBondContact NZ-OD2 2.95Å
184D87.3Confident88.1Confident155 Ų15579.1 Ų79.183%0.82944%0.435SS*.SBendtrans-82.5-34.2174.4-59.1-46.8000112.2N215D184-N215 PolarHBondContact O-ND2 3.33Å
185K87.7Confident87.8Confident180 Ų18076.1 Ų76.178%0.78344%0.437SS*.SBendtrans-145.3162.1-178.3-62.1-176.5-177.4178.90110.8
186G84.6Confident87.5Confident58 Ų5874.3 Ų74.360%0.59842%0.421SS*.SBendtrans108.411.6171.700000116.1N215G186-N215 PolarHBondContact N-OD1 2.82Å
187G88.9Confident87.1Confident30 Ų3077.6 Ų77.631%0.30945%0.445SS..  trans68.8-166177.200000113.8H214 N215 A216G187-H214 CarbonylContact C-O 3.56Å; G187-H214 WeakPolarHBondContact CA-O 3.44Å; G187-N215 WeakPolarHBondContact CA-OD1 3.4Å; G187-N215 PolarHBondContact N-OD1 3.33Å; G187-N215 VanDerWaalsContact O-CA 3.31Å; G187-N215 WeakPolarHBondContact O-CA 3.46Å; G187-A216 PolarHBondContact O-N 3.34Å; G187-A216 VanDerWaalsContact O-N 3.1Å
188I89.8Confident86.4Confident35 Ų3578.7 Ų78.718%0.17945%0.447CS..EExtended strand (participates in β ladder)trans-95.5111.8178.1-62.7165.6000108.4K205 L208 A216I188-K205 HydrophobicContact CB-CG 4.41Å; I188-K205 HydrophobicContact CD1-CB 4.26Å; I188-K205 HydrophobicContact CD1-CG 3.91Å; I188-K205 HydrophobicContact CG2-CG 4.49Å; I188-L208 HydrophobicContact CB-CD1 4.47Å; I188-L208 HydrophobicContact CD1-CB 3.94Å; I188-L208 HydrophobicContact CD1-CD1 3.58Å; I188-L208 HydrophobicContact CD1-CG 4.43Å; I188-L208 HydrophobicContact CG1-CD1 3.82Å; I188-L208 HydrophobicContact CG2-CD1 3.78Å; I188-A216 CarbonylContact C-O 3.54Å; I188-A216 VanDerWaalsContact CA-O 3.32Å; I188-A216 WeakPolarHBondContact CA-O 3.42Å
189N89.6Confident86Confident70 Ų7078.1 Ų78.137%0.37444%0.444SS..EExtended strand (participates in β ladder)trans-92.4120.4171.3-60.5-47.4000108.8K183 A216 D217 I218K183-N189 PolarHBondContact NZ-ND2 2.85Å; N189-A216 PolarHBondContact N-O 3.45Å; N189-D217 WeakPolarHBondContact CB-OD1 3.22Å; N189-D217 PolarHBondContact ND2-OD1 2.9Å; N189-I218 PolarHBondContact O-N 3.35Å
190F87.8Confident85.8Confident55 Ų5580.8 Ų80.824%0.24145%0.454CS..EExtended strand (participates in β ladder)trans-111.3122.6178.6177.6-100.3000109.3A192 V204 I218 L220F190-A192 HydrophobicContact CE1-CB 3.93Å; F190-A192 HydrophobicContact CZ-CB 4.03Å; F190-V204 HydrophobicContact CD2-CG1 4.32Å; F190-V204 HydrophobicContact CD2-CG2 4.08Å; F190-V204 HydrophobicContact CE2-CG2 3.83Å; F190-I218 HydrophobicContact CD2-CB 4.47Å; F190-I218 HydrophobicContact CD2-CG2 4.18Å; F190-I218 HydrophobicContact CE2-CG2 4.48Å; F190-L220 HydrophobicContact CE2-CD1 3.48Å; F190-L220 VanDerWaalsContact CE2-CD1 3.48Å; F190-L220 HydrophobicContact CE2-CG 3.87Å; F190-L220 HydrophobicContact CZ-CD1 3.64Å; F190-L220 HydrophobicContact CZ-CG 4.3Å
191T89.1Confident85.5Confident79 Ų7980.4 Ų80.449%0.48546%0.458SS..EExtended strand (participates in β ladder)trans-127.5122.6175.6-520000108.6I218 T219 L220T191-I218 PolarHBondContact N-O 2.9Å; T191-T219 CarbonylContact O-C 3.51Å; T191-T219 VanDerWaalsContact O-CA 3.31Å; T191-T219 WeakPolarHBondContact O-CA 3.49Å; T191-L220 PolarHBondContact O-N 3.18Å
192A86.1Confident85.2Confident45 Ų4579.5 Ų79.537%0.37246%0.456SS..EExtended strand (participates in β ladder)trans-113.1126.2175.300000109.3F190 Q196 L220F190-A192 HydrophobicContact CE1-CB 3.93Å; F190-A192 HydrophobicContact CZ-CB 4.03Å; A192-Q196 HydrophobicContact CB-CG 4.27Å; A192-L220 HydrophobicContact CB-CB 4.5Å
193T86.1Confident85Confident110 Ų11073.5 Ų73.568%0.67543%0.43SS*.SBendtrans-84.4-28.7178.6-41.40000111.2L220T193-L220 WeakPolarHBondContact CB-O 3.32Å; T193-L220 PolarHBondContact N-O 2.73Å; T193-L220 PolarHBondContact OG1-O 2.8Å
194C82.3Confident84.9Confident47 Ų4769.6 Ų69.632%0.31841%0.413SS..SBendtrans-124.4158.5178.860.40000110.8Q196 S222 D223C194-Q196 PolarHBondContact O-N 2.68Å; C194-Q196 PolarHBondContact O-NE2 3.03Å; C194-Q196 VanDerWaalsContact O-NE2 3.16Å; C194-Q196 PolarHBondContact SG-NE2 3.3Å; C194-S222 WeakPolarHBondContact SG-CA 3.2Å; C194-S222 PolarHBondContact SG-O 2.82Å; C194-D223 PolarHBondContact SG-N 3.07Å
195A81.6Confident85Confident94 Ų9467 Ų6778%0.77739%0.394SS*.  trans-57.3137.2172.700000110.1
196Q81.3Confident85Confident41 Ų4160.5 Ų60.519%0.19237%0.37CS..  trans-105.5136.4180-61.8-60.7-55.800109.5A192 C194 L199 L220 S222A192-Q196 HydrophobicContact CB-CG 4.27Å; C194-Q196 PolarHBondContact O-N 2.68Å; C194-Q196 PolarHBondContact O-NE2 3.03Å; C194-Q196 VanDerWaalsContact O-NE2 3.16Å; C194-Q196 PolarHBondContact SG-NE2 3.3Å; Q196-L199 HydrophobicContact CB-CB 4.45Å; Q196-L220 HydrophobicContact CG-CD1 3.98Å; Q196-S222 PolarHBondContact NE2-O 2.94Å
197S78.2Confident85.2Confident96 Ų9657.8 Ų57.867%0.67134%0.342SS*.SBendtrans-84.3-36.8-179.8-56.30000112.3D223S197-D223 WeakPolarHBondContact CB-OD2 3.43Å; S197-D223 PolarHBondContact N-OD1 3.36Å; S197-D223 PolarHBondContact OG-OD1 2.87Å; S197-D223 PolarHBondContact OG-OD2 3.4Å
198E75.1Confident85.3Confident112 Ų11256.3 Ų56.352%0.52333%0.327SS..SBendtrans-123.1-23.3-171.1-60.4-171.5165.200114.4
199L80.1Confident85.2Confident4 Ų457.2 Ų57.22%0.02134%0.339CS..  trans-101.4108.3-169.1-83.5179000113.3Q196 T203 V204 L220 V224 A226 L229Q196-L199 HydrophobicContact CB-CB 4.45Å; L199-T203 HydrophobicContact CD2-CG2 4.32Å; L199-V204 HydrophobicContact CD2-CG2 4.09Å; L199-L220 HydrophobicContact CD1-CD1 4.14Å; L199-V224 HydrophobicContact CD1-CB 3.94Å; L199-V224 HydrophobicContact CD1-CG1 3.6Å; L199-V224 WeakPolarHBondContact CD1-O 3.19Å; L199-V224 WeakPolarHBondContact CG-O 3.28Å; L199-A226 HydrophobicContact CD2-CB 4.32Å; L199-L229 HydrophobicContact CD1-CB 4.44Å; L199-L229 HydrophobicContact CD2-CD2 4.44Å
200D84.2Confident85.2Confident76 Ų7655.6 Ų55.641%0.40633%0.33SS..  trans-95.5154.2168.3-68.8-31.4000112E202 T203 V204D200-E202 PolarHBondContact O-N 3.25Å; D200-E202 VanDerWaalsContact O-N 3.14Å; D200-T203 WeakPolarHBondContact O-CB 3.25Å; D200-T203 PolarHBondContact O-N 3.15Å; D200-V204 WeakPolarHBondContact O-CG2 3.28Å; D200-V204 PolarHBondContact O-N 3.12Å
201S84.5Confident85.2Confident45 Ų4554.8 Ų54.832%0.31533%0.325SS..Hα-helixtrans-53-35.5176.2-177.60000112.6K205S201-K205 VanDerWaalsContact O-CG 3.25Å; S201-K205 WeakPolarHBondContact O-CG 3.4Å; S201-K205 PolarHBondContact O-N 3.33Å
202E84.8Confident85.2Confident124 Ų12459 Ų5958%0.57934%0.337SS*.Hα-helixtrans-69.9-41.7177.3-65-176.617700112.8H25 D200 V204 K205 T206H25-E202 IonicContact CE1-OE2 3.96Å; H25-E202 IonicContact NE2-OE2 3.51Å; D200-E202 PolarHBondContact O-N 3.25Å; D200-E202 VanDerWaalsContact O-N 3.14Å; E202-V204 VanDerWaalsContact C-N 3.34Å; E202-K205 PolarHBondContact O-N 3.42Å; E202-T206 WeakPolarHBondContact O-CB 3.31Å; E202-T206 PolarHBondContact O-N 2.99Å; E202-T206 PolarHBondContact O-OG1 3.24Å
203T85.8Confident85.4Confident5 Ų557.6 Ų57.63%0.03132%0.323CS..Hα-helixtrans-62.5-43.5174.7-54.90000110.7H25 L199 D200 K205 T206 I207H25-T203 PolarHBondContact CE1-OG1 3.07Å; H25-T203 PolarHBondContact ND1-OG1 3.49Å; L199-T203 HydrophobicContact CD2-CG2 4.32Å; D200-T203 WeakPolarHBondContact O-CB 3.25Å; D200-T203 PolarHBondContact O-N 3.15Å; T203-K205 PolarHBondContact O-N 2.96Å; T203-T206 WeakPolarHBondContact O-CB 3.44Å; T203-T206 PolarHBondContact O-N 2.98Å; T203-I207 HydrophobicContact CG2-CD1 4.02Å; T203-I207 WeakPolarHBondContact O-CG1 3.4Å; T203-I207 PolarHBondContact O-N 3.34Å
204V88Confident85.5Confident0 Ų058.4 Ų58.40%032%0.319CS..Hα-helixtrans-59.7-46.6176.2173.70000111.3F190 L199 D200 E202 T206 I207 L208 I218 L229F190-V204 HydrophobicContact CD2-CG1 4.32Å; F190-V204 HydrophobicContact CD2-CG2 4.08Å; F190-V204 HydrophobicContact CE2-CG2 3.83Å; L199-V204 HydrophobicContact CD2-CG2 4.09Å; D200-V204 WeakPolarHBondContact O-CG2 3.28Å; D200-V204 PolarHBondContact O-N 3.12Å; E202-V204 VanDerWaalsContact C-N 3.34Å; V204-T206 VanDerWaalsContact C-N 3.3Å; V204-T206 PolarHBondContact O-N 3.43Å; V204-I207 PolarHBondContact O-N 2.65Å; V204-L208 HydrophobicContact CG1-CD1 4.23Å; V204-L208 WeakPolarHBondContact O-CB 3.42Å; V204-L208 WeakPolarHBondContact O-CG 3.49Å; V204-L208 PolarHBondContact O-N 3.03Å; V204-I218 HydrophobicContact CG1-CD1 3.31Å; V204-L229 HydrophobicContact CB-CD2 4.31Å; V204-L229 HydrophobicContact CG1-CD2 4.09Å; V204-L229 HydrophobicContact CG2-CD2 3.96Å
205K88.9Confident86Confident100 Ų10058.3 Ų58.344%0.43532%0.315SS..Hα-helixtrans-59.5-41.6175.9-73.8171.3-174.6177.60111.9I188 S201 E202 T203 L208 A209I188-K205 HydrophobicContact CB-CG 4.41Å; I188-K205 HydrophobicContact CD1-CB 4.26Å; I188-K205 HydrophobicContact CD1-CG 3.91Å; I188-K205 HydrophobicContact CG2-CG 4.49Å; S201-K205 VanDerWaalsContact O-CG 3.25Å; S201-K205 WeakPolarHBondContact O-CG 3.4Å; S201-K205 PolarHBondContact O-N 3.33Å; E202-K205 PolarHBondContact O-N 3.42Å; T203-K205 PolarHBondContact O-N 2.96Å; K205-L208 PolarHBondContact O-N 3.14Å; K205-A209 VanDerWaalsContact O-CB 3.24Å; K205-A209 WeakPolarHBondContact O-CB 3.43Å; K205-A209 PolarHBondContact O-N 2.77Å
206T88.4Confident86.4Confident45 Ų4553.8 Ų53.828%0.27628%0.278SS..Hα-helixtrans-65.2-45.6-179.9-55.60000111.5L29 E202 T203 V204 A209 E210L29-T206 HydrophobicContact CB-CG2 3.97Å; L29-T206 HydrophobicContact CD1-CG2 4.19Å; E202-T206 WeakPolarHBondContact O-CB 3.31Å; E202-T206 PolarHBondContact O-N 2.99Å; E202-T206 PolarHBondContact O-OG1 3.24Å; T203-T206 WeakPolarHBondContact O-CB 3.44Å; T203-T206 PolarHBondContact O-N 2.98Å; V204-T206 VanDerWaalsContact C-N 3.3Å; V204-T206 PolarHBondContact O-N 3.43Å; T206-A209 PolarHBondContact O-N 2.82Å; T206-E210 PolarHBondContact O-N 3.05Å
207I89.6Confident86.9Confident0 Ų053.7 Ų53.70%028%0.279CS..Hα-helixtrans-60.5-50.8175.7-68.1167.8000109.9A32 T203 V204 A209 E210 Y211 A226 L229 I230A32-I207 HydrophobicContact CB-CG2 4.25Å; T203-I207 HydrophobicContact CG2-CD1 4.02Å; T203-I207 WeakPolarHBondContact O-CG1 3.4Å; T203-I207 PolarHBondContact O-N 3.34Å; V204-I207 PolarHBondContact O-N 2.65Å; I207-A209 VanDerWaalsContact C-N 3.33Å; I207-A209 PolarHBondContact O-N 2.67Å; I207-E210 PolarHBondContact O-N 3.27Å; I207-Y211 HydrophobicContact CG2-CD2 4.3Å; I207-Y211 HydrophobicContact CG2-CE2 4.2Å; I207-Y211 VanDerWaalsContact O-CD2 3.29Å; I207-Y211 WeakPolarHBondContact O-CD2 3.48Å; I207-Y211 PolarHBondContact O-N 2.84Å; I207-A226 HydrophobicContact CD1-CB 4.07Å; I207-L229 HydrophobicContact CD1-CD2 4.13Å; I207-L229 HydrophobicContact CG2-CD2 4.35Å; I207-I230 HydrophobicContact CG2-CG1 3.9Å
208L89.5Confident87.5Confident0 Ų049.1 Ų49.10%025%0.247CC..Hα-helixtrans-63.1-36.3-179.9-73.5-176.7000113.4F180 I188 V204 K205 E210 Y211 K212 I213 A216 I218 V233F180-L208 HydrophobicContact CE2-CD2 4.02Å; I188-L208 HydrophobicContact CB-CD1 4.47Å; I188-L208 HydrophobicContact CD1-CB 3.94Å; I188-L208 HydrophobicContact CD1-CD1 3.58Å; I188-L208 HydrophobicContact CD1-CG 4.43Å; I188-L208 HydrophobicContact CG1-CD1 3.82Å; I188-L208 HydrophobicContact CG2-CD1 3.78Å; V204-L208 HydrophobicContact CG1-CD1 4.23Å; V204-L208 WeakPolarHBondContact O-CB 3.42Å; V204-L208 WeakPolarHBondContact O-CG 3.49Å; V204-L208 PolarHBondContact O-N 3.03Å; K205-L208 PolarHBondContact O-N 3.14Å; L208-E210 VanDerWaalsContact C-N 3.31Å; L208-E210 PolarHBondContact O-N 2.99Å; L208-Y211 CarbonylContact O-C 3.6Å; L208-Y211 PolarHBondContact O-N 2.82Å; L208-Y211 VanDerWaalsContact O-N 3.13Å; L208-K212 PolarHBondContact O-N 3.04Å; L208-I213 HydrophobicContact CB-CB 4.31Å; L208-I213 HydrophobicContact CD2-CB 4.21Å; L208-I213 HydrophobicContact CD2-CD1 4.05Å; L208-I213 HydrophobicContact CD2-CG2 4.2Å; L208-I213 PolarHBondContact O-N 2.9Å; L208-A216 HydrophobicContact CD1-CB 4.31Å; L208-I218 HydrophobicContact CD1-CD1 3.47Å; L208-I218 VanDerWaalsContact CD1-CD1 3.47Å; L208-I218 HydrophobicContact CD2-CD1 4.32Å; L208-I218 HydrophobicContact CG-CD1 4.12Å; L208-V233 HydrophobicContact CD2-CG2 3.83Å
209A89.3Confident88.3Confident53 Ų5345.8 Ų45.844%0.43823%0.234SC..Hα-helixtrans-61.2-38.9176.600000111.9K205 T206 I207 Y211 K212K205-A209 VanDerWaalsContact O-CB 3.24Å; K205-A209 WeakPolarHBondContact O-CB 3.43Å; K205-A209 PolarHBondContact O-N 2.77Å; T206-A209 PolarHBondContact O-N 2.82Å; I207-A209 VanDerWaalsContact C-N 3.33Å; I207-A209 PolarHBondContact O-N 2.67Å; A209-Y211 VanDerWaalsContact C-N 3.26Å; A209-Y211 PolarHBondContact O-N 2.91Å; A209-K212 WeakPolarHBondContact O-CA 3.4Å; A209-K212 PolarHBondContact O-N 2.98Å
210E89.3Confident88.7Confident37 Ų3745.6 Ų45.617%0.17323%0.233CC..Hα-helixtrans-65.5-29.9175.8-177.657.5-125.300112.6L29 A32 R33 K36 T206 I207 L208 K212L29-E210 HydrophobicContact CD1-CB 3.9Å; L29-E210 HydrophobicContact CD1-CG 4.14Å; L29-E210 WeakPolarHBondContact CD1-OE2 3.38Å; A32-E210 HydrophobicContact CB-CB 4.18Å; A32-E210 HydrophobicContact CB-CG 4.04Å; R33-E210 VanDerWaalsContact CG-CD 3.46Å; R33-E210 HydrophobicContact CG-CG 3.83Å; R33-E210 WeakPolarHBondContact CG-OE2 3.48Å; R33-E210 IonicContact CZ-OE2 3.59Å; R33-E210 IonicContact NE-OE2 2.7Å; R33-E210 PolarHBondContact NE-OE2 2.96Å; R33-E210 IonicContact NH2-OE2 3.61Å; K36-E210 PolarHBondContact NZ-O 3.46Å; K36-E210 IonicContact NZ-OE1 2.83Å; K36-E210 PolarHBondContact NZ-OE1 3.35Å; T206-E210 PolarHBondContact O-N 3.05Å; I207-E210 PolarHBondContact O-N 3.27Å; L208-E210 VanDerWaalsContact C-N 3.31Å; L208-E210 PolarHBondContact O-N 2.99Å; E210-K212 VanDerWaalsContact C-N 3.26Å; E210-K212 PolarHBondContact O-N 2.74Å
211Y87.9Confident88.9Confident37 Ų3748.2 Ų48.215%0.14524%0.237CC..THydrogen-bonded Turntrans-83.45171.3-73.1-81.4000113.8A32 I207 L208 A209 I213 I230 V233 E234A32-Y211 HydrophobicContact CB-CE2 3.86Å; A32-Y211 PolarHBondContact O-OH 2.81Å; I207-Y211 HydrophobicContact CG2-CD2 4.3Å; I207-Y211 HydrophobicContact CG2-CE2 4.2Å; I207-Y211 VanDerWaalsContact O-CD2 3.29Å; I207-Y211 WeakPolarHBondContact O-CD2 3.48Å; I207-Y211 PolarHBondContact O-N 2.84Å; L208-Y211 CarbonylContact O-C 3.6Å; L208-Y211 PolarHBondContact O-N 2.82Å; L208-Y211 VanDerWaalsContact O-N 3.13Å; A209-Y211 VanDerWaalsContact C-N 3.26Å; A209-Y211 PolarHBondContact O-N 2.91Å; Y211-I213 PolarHBondContact O-N 3.28Å; Y211-I230 WeakPolarHBondContact OH-CG2 3.41Å; Y211-V233 HydrophobicContact CD1-CG1 3.97Å; Y211-V233 HydrophobicContact CD2-CG1 3.71Å; Y211-V233 HydrophobicContact CE1-CG1 4.34Å; Y211-V233 HydrophobicContact CE2-CG1 4.11Å; Y211-V233 HydrophobicContact CG-CG1 3.65Å; Y211-E234 HydrophobicContact CE1-CG 3.78Å; Y211-E234 WeakPolarHBondContact OH-CG 3.4Å; Y211-E234 PolarHBondContact OH-OE1 3.13Å
212K89.1Confident89Confident169 Ų16948.2 Ų48.274%0.73524%0.237SC*.THydrogen-bonded Turntrans58.332.4-176.2-55.9179.9176.8-175.10113.2L208 A209 E210L208-K212 PolarHBondContact O-N 3.04Å; A209-K212 WeakPolarHBondContact O-CA 3.4Å; A209-K212 PolarHBondContact O-N 2.98Å; E210-K212 VanDerWaalsContact C-N 3.26Å; E210-K212 PolarHBondContact O-N 2.74Å
213I89.5Confident89.1Confident14 Ų1446.3 Ų46.37%0.07223%0.231CC..  trans-103.6103.2177.9-61.3160.5000107.7F180 L208 Y211 A216 V233F180-I213 HydrophobicContact CZ-CD1 4.05Å; L208-I213 HydrophobicContact CB-CB 4.31Å; L208-I213 HydrophobicContact CD2-CB 4.21Å; L208-I213 HydrophobicContact CD2-CD1 4.05Å; L208-I213 HydrophobicContact CD2-CG2 4.2Å; L208-I213 PolarHBondContact O-N 2.9Å; Y211-I213 PolarHBondContact O-N 3.28Å; I213-A216 HydrophobicContact CG2-CB 3.86Å; I213-V233 HydrophobicContact CD1-CG1 3.82Å
214H88.2Confident89.1Confident128 Ų12846.1 Ų46.159%0.59323%0.23SC*.  trans-94.8-19.6-179.2-59.7-67000113.5G187G187-H214 CarbonylContact C-O 3.56Å; G187-H214 WeakPolarHBondContact CA-O 3.44Å
215N91.9Very high89.1Confident44 Ų4448.3 Ų48.324%0.23524%0.243CC..SBendtrans-132.5110.4-174.7-61.8-59000109.9K183 D184 G186 G187K183-N215 HydrophobicContact CB-CB 4.1Å; K183-N215 PolarHBondContact N-O 3.1Å; K183-N215 WeakPolarHBondContact O-CB 3.38Å; D184-N215 PolarHBondContact O-ND2 3.33Å; G186-N215 PolarHBondContact N-OD1 2.82Å; G187-N215 WeakPolarHBondContact CA-OD1 3.4Å; G187-N215 PolarHBondContact N-OD1 3.33Å; G187-N215 VanDerWaalsContact O-CA 3.31Å; G187-N215 WeakPolarHBondContact O-CA 3.46Å
216A91.9Very high89Confident0 Ų044 Ų440%023%0.226CC..EExtended strand (participates in β ladder)trans-159.7148.618000000112F180 K181 G187 I188 N189 L208 I213F180-A216 HydrophobicContact CE2-CB 3.9Å; K181-A216 CarbonylContact O-C 3.42Å; K181-A216 WeakPolarHBondContact O-CA 3.49Å; G187-A216 PolarHBondContact O-N 3.34Å; G187-A216 VanDerWaalsContact O-N 3.1Å; I188-A216 CarbonylContact C-O 3.54Å; I188-A216 VanDerWaalsContact CA-O 3.32Å; I188-A216 WeakPolarHBondContact CA-O 3.42Å; N189-A216 PolarHBondContact N-O 3.45Å; L208-A216 HydrophobicContact CD1-CB 4.31Å; I213-A216 HydrophobicContact CG2-CB 3.86Å
217D91.3Very high89Confident38 Ų3845 Ų4520%0.20323%0.23CC..EExtended strand (participates in β ladder)trans-97.2126.9164.4-63.4-23.7000109.4F180 K181 K183 N189F180-D217 WeakPolarHBondContact CA-O 3.31Å; K181-D217 HydrophobicContact CB-CB 4.43Å; K181-D217 PolarHBondContact N-O 3.45Å; K181-D217 PolarHBondContact O-N 3.36Å; K183-D217 WeakPolarHBondContact CD-OD1 3.46Å; K183-D217 VanDerWaalsContact CE-OD1 3.28Å; K183-D217 WeakPolarHBondContact CE-OD1 3.48Å; K183-D217 WeakPolarHBondContact CE-OD2 3.43Å; K183-D217 IonicContact NZ-OD1 2.71Å; K183-D217 PolarHBondContact NZ-OD1 3.34Å; K183-D217 IonicContact NZ-OD2 2.72Å; K183-D217 PolarHBondContact NZ-OD2 2.95Å; N189-D217 WeakPolarHBondContact CB-OD1 3.22Å; N189-D217 PolarHBondContact ND2-OD1 2.9Å
218I91.1Very high88.9Confident1 Ų146.7 Ų46.71%0.00524%0.239CC..EExtended strand (participates in β ladder)trans-118.8123.3173-67.4171.6000108.3I178 G179 F180 N189 F190 T191 V204 L208 L220 L229I178-I218 HydrophobicContact CG2-CG2 4.32Å; G179-I218 WeakPolarHBondContact O-CA 3.49Å; F180-I218 HydrophobicContact CD2-CD1 4.5Å; F180-I218 HydrophobicContact CD2-CG1 3.96Å; N189-I218 PolarHBondContact O-N 3.35Å; F190-I218 HydrophobicContact CD2-CB 4.47Å; F190-I218 HydrophobicContact CD2-CG2 4.18Å; F190-I218 HydrophobicContact CE2-CG2 4.48Å; T191-I218 PolarHBondContact N-O 2.9Å; V204-I218 HydrophobicContact CG1-CD1 3.31Å; L208-I218 HydrophobicContact CD1-CD1 3.47Å; L208-I218 VanDerWaalsContact CD1-CD1 3.47Å; L208-I218 HydrophobicContact CD2-CD1 4.32Å; L208-I218 HydrophobicContact CG-CD1 4.12Å; I218-L220 HydrophobicContact CG2-CD2 3.75Å; I218-L220 HydrophobicContact CG2-CG 4.19Å; I218-L229 HydrophobicContact CD1-CD1 4.12Å
219T90.9Very high88.9Confident41 Ų4146.7 Ų46.725%0.25224%0.239SC..EExtended strand (participates in β ladder)trans-118.4113.7173.750.90000109G179 T191G179-T219 WeakPolarHBondContact CA-OG1 3.41Å; G179-T219 PolarHBondContact N-O 3.29Å; G179-T219 PolarHBondContact N-OG1 3.01Å; G179-T219 PolarHBondContact O-N 3.46Å; G179-T219 PolarHBondContact O-OG1 2.98Å; G179-T219 VanDerWaalsContact O-OG1 3.07Å; T191-T219 CarbonylContact O-C 3.51Å; T191-T219 VanDerWaalsContact O-CA 3.31Å; T191-T219 WeakPolarHBondContact O-CA 3.49Å
220L89.6Confident88.9Confident1 Ų144.4 Ų44.41%0.00522%0.219CC..EExtended strand (participates in β ladder)trans-93.5120.6174.7-55.4-172.7000109.1I178 F190 T191 A192 T193 Q196 L199 I218 V224I178-L220 HydrophobicContact CD1-CD2 4.42Å; I178-L220 HydrophobicContact CG1-CD2 4.06Å; I178-L220 HydrophobicContact CG2-CD2 3.91Å; F190-L220 HydrophobicContact CE2-CD1 3.48Å; F190-L220 VanDerWaalsContact CE2-CD1 3.48Å; F190-L220 HydrophobicContact CE2-CG 3.87Å; F190-L220 HydrophobicContact CZ-CD1 3.64Å; F190-L220 HydrophobicContact CZ-CG 4.3Å; T191-L220 PolarHBondContact O-N 3.18Å; A192-L220 HydrophobicContact CB-CB 4.5Å; T193-L220 WeakPolarHBondContact CB-O 3.32Å; T193-L220 PolarHBondContact N-O 2.73Å; T193-L220 PolarHBondContact OG1-O 2.8Å; Q196-L220 HydrophobicContact CG-CD1 3.98Å; L199-L220 HydrophobicContact CD1-CD1 4.14Å; I218-L220 HydrophobicContact CG2-CD2 3.75Å; I218-L220 HydrophobicContact CG2-CG 4.19Å; L220-V224 HydrophobicContact CD1-CB 4.44Å; L220-V224 HydrophobicContact CD2-CB 4.33Å; L220-V224 HydrophobicContact CD2-CG1 4.3Å; L220-V224 HydrophobicContact CD2-CG2 4.26Å
221R87.9Confident88.9Confident131 Ų13142.8 Ų42.849%0.49421%0.212SC..  trans-103.9-9.1178-58.8-169.3-17587.35.9113.7N177N177-R221 PolarHBondContact O-N 3.07Å; N177-R221 PolarHBondContact OD1-NH1 3.46Å
222S85.8Confident88.9Confident45 Ų4542.8 Ų42.832%0.31522%0.216SC..SBendtrans-136.6170.6177.259.70000109.9C194 Q196 V224C194-S222 WeakPolarHBondContact SG-CA 3.2Å; C194-S222 PolarHBondContact SG-O 2.82Å; Q196-S222 PolarHBondContact NE2-O 2.94Å; S222-V224 WeakPolarHBondContact O-CG2 3.38Å; S222-V224 PolarHBondContact O-N 3.16Å
223D86.5Confident88.8Confident84 Ų8435.5 Ų35.545%0.44919%0.185SC..  trans-67.7122.6166.8-16920.9000107.7C194 S197C194-D223 PolarHBondContact SG-N 3.07Å; S197-D223 WeakPolarHBondContact CB-OD2 3.43Å; S197-D223 PolarHBondContact N-OD1 3.36Å; S197-D223 PolarHBondContact OG-OD1 2.87Å; S197-D223 PolarHBondContact OG-OD2 3.4Å
224V85.6Confident88.6Confident1 Ų136 Ų361%0.00619%0.187CC..  trans-126.9137.1-167.2170.70000108.7I178 L199 L220 S222 D228I178-V224 HydrophobicContact CD1-CB 4.48Å; I178-V224 HydrophobicContact CD1-CG1 3.43Å; I178-V224 VanDerWaalsContact CD1-CG1 3.43Å; I178-V224 HydrophobicContact CD1-CG2 4.14Å; I178-V224 HydrophobicContact CG1-CG1 4.11Å; I178-V224 HydrophobicContact CG1-CG2 3.92Å; L199-V224 HydrophobicContact CD1-CB 3.94Å; L199-V224 HydrophobicContact CD1-CG1 3.6Å; L199-V224 WeakPolarHBondContact CD1-O 3.19Å; L199-V224 WeakPolarHBondContact CG-O 3.28Å; L220-V224 HydrophobicContact CD1-CB 4.44Å; L220-V224 HydrophobicContact CD2-CB 4.33Å; L220-V224 HydrophobicContact CD2-CG1 4.3Å; L220-V224 HydrophobicContact CD2-CG2 4.26Å; S222-V224 WeakPolarHBondContact O-CG2 3.38Å; S222-V224 PolarHBondContact O-N 3.16Å; V224-D228 HydrophobicContact CG1-CB 3.7Å
225T88.7Confident88.2Confident46 Ų4633 Ų3328%0.28219%0.191SC..  trans-89.2164175.7690000111.6D227 D228 L229T225-D227 PolarHBondContact O-N 2.91Å; T225-D227 PolarHBondContact OG1-N 3.44Å; T225-D228 WeakPolarHBondContact CB-OD2 3.34Å; T225-D228 PolarHBondContact N-OD2 3.35Å; T225-D228 PolarHBondContact O-N 3.46Å; T225-D228 PolarHBondContact OG1-N 3.37Å; T225-D228 PolarHBondContact OG1-OD2 3.29Å; T225-L229 PolarHBondContact O-N 3.09Å
226A87.4Confident87.6Confident9 Ų933.6 Ų33.67%0.07419%0.194CC..Hα-helixtrans-57.1-32.5172.600000112.8K31 L199 I207 I230K31-A226 HydrophobicContact CD-CB 4.34Å; L199-A226 HydrophobicContact CD2-CB 4.32Å; I207-A226 HydrophobicContact CD1-CB 4.07Å; A226-I230 WeakPolarHBondContact O-CD1 3.46Å; A226-I230 VanDerWaalsContact O-CG1 3.25Å; A226-I230 WeakPolarHBondContact O-CG1 3.43Å; A226-I230 PolarHBondContact O-N 2.83Å; A226-I230 VanDerWaalsContact O-N 3.12Å
227D87.4Confident87.4Confident65 Ų6535.3 Ų35.335%0.34820%0.201SC..Hα-helixtrans-72.3-37.5-179.5-60.5-33.5000111.3K31 T225 I230 D231K31-D227 VanDerWaalsContact CD-OD1 3.28Å; K31-D227 WeakPolarHBondContact CD-OD1 3.39Å; K31-D227 WeakPolarHBondContact CE-OD1 3.35Å; K31-D227 IonicContact NZ-OD1 3.87Å; K31-D227 PolarHBondContact NZ-OD1 2.89Å; K31-D227 IonicContact NZ-OD2 3.51Å; K31-D227 PolarHBondContact NZ-OD2 3.16Å; T225-D227 PolarHBondContact O-N 2.91Å; T225-D227 PolarHBondContact OG1-N 3.44Å; D227-I230 WeakPolarHBondContact O-CB 3.45Å; D227-I230 PolarHBondContact O-N 2.85Å; D227-D231 WeakPolarHBondContact O-CB 3.5Å; D227-D231 PolarHBondContact O-N 2.95Å
228D88.8Confident87.3Confident36 Ų3635.3 Ų35.319%0.19320%0.202CC..Hα-helixtrans-65.6-39.2176.3-63.7-44.7000112P176 I178 V224 T225 D231 V232P176-D228 HydrophobicContact CB-CB 4.01Å; P176-D228 HydrophobicContact CG-CB 4.03Å; I178-D228 HydrophobicContact CD1-CB 4.41Å; V224-D228 HydrophobicContact CG1-CB 3.7Å; T225-D228 WeakPolarHBondContact CB-OD2 3.34Å; T225-D228 PolarHBondContact N-OD2 3.35Å; T225-D228 PolarHBondContact O-N 3.46Å; T225-D228 PolarHBondContact OG1-N 3.37Å; T225-D228 PolarHBondContact OG1-OD2 3.29Å; D228-D231 WeakPolarHBondContact O-CB 3.43Å; D228-D231 PolarHBondContact O-N 2.91Å; D228-V232 PolarHBondContact O-N 2.94Å; D228-V232 VanDerWaalsContact O-N 3.14Å
229L88.8Confident87.3Confident1 Ų138.1 Ų38.11%0.00521%0.213CC..Hα-helixtrans-63.5-44.6173.4179.165.5000111L199 V204 I207 I218 T225 D231 V232 V233L199-L229 HydrophobicContact CD1-CB 4.44Å; L199-L229 HydrophobicContact CD2-CD2 4.44Å; V204-L229 HydrophobicContact CB-CD2 4.31Å; V204-L229 HydrophobicContact CG1-CD2 4.09Å; V204-L229 HydrophobicContact CG2-CD2 3.96Å; I207-L229 HydrophobicContact CD1-CD2 4.13Å; I207-L229 HydrophobicContact CG2-CD2 4.35Å; I218-L229 HydrophobicContact CD1-CD1 4.12Å; T225-L229 PolarHBondContact O-N 3.09Å; L229-D231 VanDerWaalsContact C-N 3.27Å; L229-D231 PolarHBondContact O-N 2.79Å; L229-V232 PolarHBondContact O-N 3.35Å; L229-V233 HydrophobicContact CD1-CG2 4.27Å; L229-V233 HydrophobicContact CG-CG2 4.39Å; L229-V233 WeakPolarHBondContact O-CB 3.43Å; L229-V233 VanDerWaalsContact O-CG2 3.25Å; L229-V233 WeakPolarHBondContact O-CG2 3.34Å; L229-V233 PolarHBondContact O-N 3.36Å
230I88.7Confident87.4Confident4 Ų436.4 Ų36.42%0.02120%0.202CC..Hα-helixtrans-59.6-41.6176-73.1164.8000110.4K31 A32 A35 I207 Y211 A226 D227 V232 V233 E234K31-I230 HydrophobicContact CB-CD1 3.7Å; A32-I230 HydrophobicContact CB-CD1 4.37Å; A35-I230 HydrophobicContact CB-CG2 3.51Å; I207-I230 HydrophobicContact CG2-CG1 3.9Å; Y211-I230 WeakPolarHBondContact OH-CG2 3.41Å; A226-I230 WeakPolarHBondContact O-CD1 3.46Å; A226-I230 VanDerWaalsContact O-CG1 3.25Å; A226-I230 WeakPolarHBondContact O-CG1 3.43Å; A226-I230 PolarHBondContact O-N 2.83Å; A226-I230 VanDerWaalsContact O-N 3.12Å; D227-I230 WeakPolarHBondContact O-CB 3.45Å; D227-I230 PolarHBondContact O-N 2.85Å; I230-V232 VanDerWaalsContact C-N 3.35Å; I230-V232 PolarHBondContact O-N 2.99Å; I230-V233 PolarHBondContact O-N 3.22Å; I230-E234 HydrophobicContact CG2-CG 4.37Å; I230-E234 WeakPolarHBondContact O-CB 3.28Å; I230-E234 WeakPolarHBondContact O-CG 3.41Å; I230-E234 PolarHBondContact O-N 3.49Å
231D89.2Confident87.6Confident4 Ų438.1 Ų38.12%0.02121%0.213CC..Hα-helixtrans-60.5-42.4178.9-74.3-12.5000112.5R170 D227 D228 L229 G235 R237R170-D231 IonicContact CZ-OD1 2.82Å; R170-D231 IonicContact CZ-OD2 3.15Å; R170-D231 IonicContact NE-OD1 2.79Å; R170-D231 IonicContact NE-OD2 2.77Å; R170-D231 PolarHBondContact NE-OD2 3.38Å; R170-D231 IonicContact NH2-OD1 2.74Å; R170-D231 PolarHBondContact NH2-OD1 3.25Å; R170-D231 IonicContact NH2-OD2 3.51Å; R170-D231 PolarHBondContact NH2-OD2 3.46Å; D227-D231 WeakPolarHBondContact O-CB 3.5Å; D227-D231 PolarHBondContact O-N 2.95Å; D228-D231 WeakPolarHBondContact O-CB 3.43Å; D228-D231 PolarHBondContact O-N 2.91Å; L229-D231 VanDerWaalsContact C-N 3.27Å; L229-D231 PolarHBondContact O-N 2.79Å; D231-G235 PolarHBondContact O-N 3.39Å; D231-R237 HydrophobicContact CB-CG 3.83Å; D231-R237 WeakPolarHBondContact OD1-CD 3.41Å; D231-R237 IonicContact OD1-CZ 2.9Å; D231-R237 IonicContact OD1-NE 3.93Å; D231-R237 PolarHBondContact OD1-NE 3.4Å; D231-R237 IonicContact OD1-NH2 3.69Å
232V88.2Confident87.9Confident36 Ų3631.9 Ų31.922%0.21819%0.19CC..Hα-helixtrans-71.5-39.8176.8173.70000112.2P176 I178 F180 D228 L229 I230 E234P176-V232 HydrophobicContact CG-CG2 3.6Å; I178-V232 HydrophobicContact CB-CG1 4.36Å; I178-V232 HydrophobicContact CB-CG2 4.14Å; I178-V232 HydrophobicContact CD1-CB 4.38Å; I178-V232 HydrophobicContact CD1-CG2 3.87Å; I178-V232 HydrophobicContact CG1-CG2 4.4Å; I178-V232 HydrophobicContact CG2-CG1 4.38Å; F180-V232 HydrophobicContact CB-CG1 3.74Å; F180-V232 HydrophobicContact CG-CG1 4.36Å; D228-V232 PolarHBondContact O-N 2.94Å; D228-V232 VanDerWaalsContact O-N 3.14Å; L229-V232 PolarHBondContact O-N 3.35Å; I230-V232 VanDerWaalsContact C-N 3.35Å; I230-V232 PolarHBondContact O-N 2.99Å; V232-E234 VanDerWaalsContact C-N 3.29Å; V232-E234 PolarHBondContact O-N 2.9Å
233V88Confident88.4Confident16 Ų1629.8 Ų29.810%0.09718%0.175CC..Hα-helixtrans-65.2-35.7177.5171.20000111.2F180 L208 Y211 I213 L229 I230F180-V233 HydrophobicContact CE2-CG2 4.3Å; L208-V233 HydrophobicContact CD2-CG2 3.83Å; Y211-V233 HydrophobicContact CD1-CG1 3.97Å; Y211-V233 HydrophobicContact CD2-CG1 3.71Å; Y211-V233 HydrophobicContact CE1-CG1 4.34Å; Y211-V233 HydrophobicContact CE2-CG1 4.11Å; Y211-V233 HydrophobicContact CG-CG1 3.65Å; I213-V233 HydrophobicContact CD1-CG1 3.82Å; L229-V233 HydrophobicContact CD1-CG2 4.27Å; L229-V233 HydrophobicContact CG-CG2 4.39Å; L229-V233 WeakPolarHBondContact O-CB 3.43Å; L229-V233 VanDerWaalsContact O-CG2 3.25Å; L229-V233 WeakPolarHBondContact O-CG2 3.34Å; L229-V233 PolarHBondContact O-N 3.36Å; I230-V233 PolarHBondContact O-N 3.22Å
234E84Confident88.9Confident25 Ų2526.8 Ų26.812%0.11716%0.158CC..Hα-helixtrans-78.8-36.2178.1-73.3-160.8175.500114A35 K36 Y211 I230 V232 N236 R237A35-E234 WeakPolarHBondContact CB-OE1 3.25Å; K36-E234 PolarHBondContact N-OE1 3.03Å; Y211-E234 HydrophobicContact CE1-CG 3.78Å; Y211-E234 WeakPolarHBondContact OH-CG 3.4Å; Y211-E234 PolarHBondContact OH-OE1 3.13Å; I230-E234 HydrophobicContact CG2-CG 4.37Å; I230-E234 WeakPolarHBondContact O-CB 3.28Å; I230-E234 WeakPolarHBondContact O-CG 3.41Å; I230-E234 PolarHBondContact O-N 3.49Å; V232-E234 VanDerWaalsContact C-N 3.29Å; V232-E234 PolarHBondContact O-N 2.9Å; E234-N236 PolarHBondContact O-N 3.33Å; E234-R237 VanDerWaalsContact CD-NH2 3.33Å; E234-R237 IonicContact OE1-NH2 3.46Å; E234-R237 IonicContact OE2-CZ 3.44Å; E234-R237 IonicContact OE2-NH1 2.69Å; E234-R237 PolarHBondContact OE2-NH1 2.96Å; E234-R237 IonicContact OE2-NH2 3.37Å; E234-R237 PolarHBondContact OE2-NH2 2.67Å
235G80.7Confident89.4Confident66 Ų6626.8 Ų26.868%0.6816%0.158SC*.  trans64.31.8175.800000116D231D231-G235 PolarHBondContact O-N 3.39Å
236N80.1Confident89.7Confident55 Ų5525.5 Ų25.529%0.29415%0.149SC..  trans-106.222.3-178.6-165.921.2000112.4R139 E234R139-N236 PolarHBondContact NH2-O 2.81Å; R139-N236 PolarHBondContact NH2-OD1 3.37Å; E234-N236 PolarHBondContact O-N 3.33Å
237R86Confident90Very high36 Ų3625.3 Ų25.314%0.13615%0.147CC..  trans-87.9145.4179-65.8-66.5-176.7-91.6-7.5110.9G168 R170 D231 E234 Y239G168-R237 WeakPolarHBondContact O-CA 3.35Å; G168-R237 VanDerWaalsContact O-CD 3.28Å; G168-R237 WeakPolarHBondContact O-CD 3.45Å; R170-R237 VanDerWaalsContact NH2-NE 3.18Å; D231-R237 HydrophobicContact CB-CG 3.83Å; D231-R237 WeakPolarHBondContact OD1-CD 3.41Å; D231-R237 IonicContact OD1-CZ 2.9Å; D231-R237 IonicContact OD1-NE 3.93Å; D231-R237 PolarHBondContact OD1-NE 3.4Å; D231-R237 IonicContact OD1-NH2 3.69Å; E234-R237 VanDerWaalsContact CD-NH2 3.33Å; E234-R237 IonicContact OE1-NH2 3.46Å; E234-R237 IonicContact OE2-CZ 3.44Å; E234-R237 IonicContact OE2-NH1 2.69Å; E234-R237 PolarHBondContact OE2-NH1 2.96Å; E234-R237 IonicContact OE2-NH2 3.37Å; E234-R237 PolarHBondContact OE2-NH2 2.67Å; R237-Y239 HydrophobicContact CB-CE2 4.07Å
238V88.9Confident90.2Very high39 Ų3924.7 Ų24.724%0.23614%0.141CC..EExtended strand (participates in β ladder)trans-116.5125.2175.1-167.10000108.3R139 G168 I169 R170 I240R139-V238 HydrophobicContact CB-CG2 4.3Å; R139-V238 HydrophobicContact CG-CG2 4.49Å; G168-V238 PolarHBondContact O-N 3.36Å; I169-V238 CarbonylContact C-O 3.58Å; I169-V238 WeakPolarHBondContact CA-O 3.37Å; R170-V238 PolarHBondContact N-O 3.27Å; V238-I240 HydrophobicContact CB-CD1 4.36Å; V238-I240 HydrophobicContact CB-CG1 4.26Å; V238-I240 HydrophobicContact CG1-CD1 3.82Å; V238-I240 HydrophobicContact CG1-CG1 3.56Å
239Y91.8Very high90.4Very high60 Ų6023.5 Ų23.524%0.23514%0.135CC..EExtended strand (participates in β ladder)trans-96.9112.4177.6-62.6-94.2000107.3R170 K173 P175 P176 R237R170-Y239 HydrophobicContact CB-CD1 3.58Å; R170-Y239 HydrophobicContact CB-CE1 3.79Å; R170-Y239 HydrophobicContact CB-CG 4.29Å; R170-Y239 HydrophobicContact CG-CD1 4.18Å; R170-Y239 HydrophobicContact CG-CE1 3.89Å; R170-Y239 WeakPolarHBondContact O-CA 3.06Å; K173-Y239 HydrophobicContact CB-CD1 4.16Å; K173-Y239 HydrophobicContact CB-CE1 4.45Å; K173-Y239 WeakPolarHBondContact O-CD1 3.36Å; P175-Y239 HydrophobicContact CB-CD2 4.46Å; P175-Y239 HydrophobicContact CB-CE2 4.13Å; P175-Y239 HydrophobicContact CG-CD2 3.83Å; P175-Y239 HydrophobicContact CG-CE2 4Å; P175-Y239 HydrophobicContact CG-CG 4.12Å; P176-Y239 WeakPolarHBondContact CD-OH 2.93Å; R237-Y239 HydrophobicContact CB-CE2 4.07Å
240I92.5Very high90.6Very high4 Ų426.6 Ų26.62%0.02115%0.151CC..EExtended strand (participates in β ladder)trans-123.6128.6-173.6-50.6179.1000108.1A138 I144 I169 R170 L171 N172 V238A138-I240 WeakPolarHBondContact O-CD1 3.39Å; I144-I240 HydrophobicContact CD1-CB 4.47Å; I144-I240 HydrophobicContact CD1-CD1 4.13Å; I144-I240 HydrophobicContact CD1-CG2 4.27Å; I144-I240 HydrophobicContact CG1-CG2 4.1Å; I169-I240 HydrophobicContact CG1-CD1 4.4Å; I169-I240 HydrophobicContact CG2-CB 4.29Å; I169-I240 HydrophobicContact CG2-CD1 3.9Å; I169-I240 HydrophobicContact CG2-CG1 4.14Å; R170-I240 PolarHBondContact O-N 3.2Å; L171-I240 WeakPolarHBondContact CA-O 3.3Å; N172-I240 PolarHBondContact N-O 3.47Å; N172-I240 VanDerWaalsContact N-O 3.14Å; V238-I240 HydrophobicContact CB-CD1 4.36Å; V238-I240 HydrophobicContact CB-CG1 4.26Å; V238-I240 HydrophobicContact CG1-CD1 3.82Å; V238-I240 HydrophobicContact CG1-CG1 3.56Å
241P94.6Very high90.7Very high37 Ų3731.4 Ų31.424%0.2417%0.173CC..  trans-60.4148.6169.523.4-30.8000110.8N142 L143 I144 Y287N142-P241 VanDerWaalsContact O-CD 3.28Å; N142-P241 WeakPolarHBondContact O-CD 3.45Å; N142-P241 WeakPolarHBondContact O-CG 3.44Å; L143-P241 HydrophobicContact CD1-CB 4Å; L143-P241 HydrophobicContact CD1-CG 4.14Å; L143-P241 WeakPolarHBondContact CD1-O 3.46Å; I144-P241 PolarHBondContact N-O 3.17Å; P241-Y287 HydrophobicContact CB-CD1 3.8Å
242C95.3Very high90.8Very high0 Ų032.7 Ų32.70%018%0.18CC..EExtended strand (participates in β ladder)trans-138.4134.4-177-179.70000111.1I144 I146 L171 N172I144-C242 CarbonylContact O-C 3.5Å; I144-C242 VanDerWaalsContact O-CA 3.23Å; I144-C242 WeakPolarHBondContact O-CA 3.27Å; I146-C242 WeakPolarHBondContact CD1-SG 3.24Å; I146-C242 VanDerWaalsContact CG1-SG 3.56Å; L171-C242 HydrophobicContact CB-CB 3.94Å; L171-C242 HydrophobicContact CD2-CB 3.78Å; L171-C242 HydrophobicContact CG-CB 4.32Å; N172-C242 PolarHBondContact ND2-O 3.34Å; N172-C242 PolarHBondContact OD1-N 3.18Å; N172-C242 PolarHBondContact OD1-O 2.76Å
243I96.3Very high91Very high1 Ų133.6 Ų33.61%0.00519%0.188CC..EExtended strand (participates in β ladder)trans-112.6129.2171.7-61.5168000108.4L143 I144 L145 I146 V245 H265 V267 L280 R283 M284 Y287L143-I243 HydrophobicContact CD1-CD1 4.19Å; L143-I243 HydrophobicContact CD1-CG1 4.14Å; L143-I243 HydrophobicContact CD2-CD1 4.06Å; I144-I243 PolarHBondContact O-N 3.1Å; L145-I243 WeakPolarHBondContact CA-O 3.29Å; L145-I243 HydrophobicContact CD2-CB 3.67Å; L145-I243 HydrophobicContact CD2-CD1 4.08Å; L145-I243 HydrophobicContact CD2-CG1 4.31Å; L145-I243 HydrophobicContact CD2-CG2 4.31Å; I146-I243 PolarHBondContact N-O 2.98Å; I243-V245 HydrophobicContact CG2-CG2 4.26Å; I243-H265 CarbonylContact C-O 3.56Å; I243-H265 WeakPolarHBondContact CA-O 3.47Å; I243-V267 HydrophobicContact CG2-CB 4.27Å; I243-V267 HydrophobicContact CG2-CG2 3.7Å; I243-L280 HydrophobicContact CG2-CD1 4.35Å; I243-R283 HydrophobicContact CD1-CB 4.11Å; I243-M284 HydrophobicContact CD1-CG 4.19Å; I243-Y287 HydrophobicContact CD1-CD1 4.23Å; I243-Y287 HydrophobicContact CD1-CD2 4.25Å; I243-Y287 HydrophobicContact CD1-CG 4.02Å; I243-Y287 HydrophobicContact CG1-CD1 3.78Å; I243-Y287 HydrophobicContact CG1-CD2 4.47Å; I243-Y287 HydrophobicContact CG1-CE1 3.94Å; I243-Y287 HydrophobicContact CG1-CG 4.09Å
244Y95.7Very high91.1Very high22 Ų2239.2 Ų39.29%0.08622%0.216CC..EExtended strand (participates in β ladder)trans-85.5112.3172-60.4-76.1000108.9I146 L148 K157 E161 H265 C266 V267I146-Y244 HydrophobicContact CB-CD1 3.99Å; I146-Y244 HydrophobicContact CB-CE1 4.32Å; I146-Y244 HydrophobicContact CD1-CD1 4.34Å; I146-Y244 HydrophobicContact CD1-CE1 3.79Å; I146-Y244 HydrophobicContact CG2-CD1 4.17Å; I146-Y244 HydrophobicContact CG2-CE1 4.46Å; L148-Y244 HydrophobicContact CD1-CD1 4.17Å; K157-Y244 HydrophobicContact CD-CD1 4.37Å; K157-Y244 HydrophobicContact CD-CE1 4.11Å; K157-Y244 HydrophobicContact CG-CD1 4.5Å; K157-Y244 HydrophobicContact CG-CE1 4.06Å; E161-Y244 PolarHBondContact OE1-OH 3.47Å; Y244-H265 HydrophobicContact CD2-CB 4.13Å; Y244-H265 HydrophobicContact CE2-CB 4.38Å; Y244-H265 PolarHBondContact N-O 3.3Å; Y244-C266 CarbonylContact O-C 3.52Å; Y244-C266 WeakPolarHBondContact O-CA 2.97Å; Y244-V267 PolarHBondContact O-N 2.91Å
245V95.5Very high91.4Very high0 Ų045.4 Ų45.40%025%0.245CC..EExtended strand (participates in β ladder)trans-95.9104.9179.3-178.80000107.7L79 L145 I146 V147 L148 I243 N247 V267 I269 L280L79-V245 HydrophobicContact CD2-CG1 4.02Å; L145-V245 HydrophobicContact CB-CG2 4.17Å; L145-V245 HydrophobicContact CD2-CG2 4.32Å; I146-V245 PolarHBondContact O-N 3.38Å; V147-V245 HydrophobicContact CG2-CB 4.44Å; L148-V245 PolarHBondContact N-O 3.38Å; I243-V245 HydrophobicContact CG2-CG2 4.26Å; V245-N247 PolarHBondContact O-N 3.04Å; V245-V267 WeakPolarHBondContact CA-O 3.37Å; V245-I269 HydrophobicContact CG1-CD1 3.22Å; V245-I269 HydrophobicContact CG1-CG1 3.51Å; V245-I269 HydrophobicContact CG1-CG2 4.33Å; V245-L280 HydrophobicContact CG2-CD1 3.76Å
246L95.1Very high91.8Very high19 Ų1946.9 Ų46.910%0.09923%0.234CC..EExtended strand (participates in β ladder)trans-88.8102.8177.4-62.2-171.1000109.1L148 V150 P153 I260 C266 V267 P268 I269L148-L246 HydrophobicContact CB-CD2 3.78Å; L148-L246 HydrophobicContact CD1-CD2 3.91Å; L148-L246 HydrophobicContact CG-CD2 4.41Å; V150-L246 HydrophobicContact CB-CB 4.38Å; V150-L246 HydrophobicContact CG2-CB 4.39Å; V150-L246 HydrophobicContact CG2-CD1 4.38Å; P153-L246 HydrophobicContact CB-CD2 3.97Å; L246-I260 HydrophobicContact CD1-CD1 4.31Å; L246-I260 HydrophobicContact CD1-CG1 4.32Å; L246-I260 HydrophobicContact CD1-CG2 3.67Å; L246-C266 WeakPolarHBondContact CD1-SG 3.37Å; L246-C266 WeakPolarHBondContact CG-SG 3.33Å; L246-V267 PolarHBondContact N-O 3.36Å; L246-P268 CarbonylContact O-C 3.38Å; L246-P268 WeakPolarHBondContact O-CA 3.32Å; L246-I269 PolarHBondContact O-N 3.42Å
247N93.9Very high92.3Very high6 Ų646 Ų463%0.03223%0.229CC..EExtended strand (participates in β ladder)trans-89.4164.4-179.2-166.624.3000111.9V74 V147 L148 V150 V245 I269 A271V74-N247 PolarHBondContact O-ND2 2.69Å; V147-N247 HydrophobicContact CG1-CB 4.35Å; L148-N247 PolarHBondContact O-N 3.03Å; V150-N247 WeakPolarHBondContact CB-O 3.42Å; V150-N247 WeakPolarHBondContact CG1-O 3.35Å; V150-N247 PolarHBondContact N-O 3.4Å; V245-N247 PolarHBondContact O-N 3.04Å; N247-I269 CarbonylContact C-O 3.6Å; N247-I269 VanDerWaalsContact CA-O 3.31Å; N247-I269 WeakPolarHBondContact CA-O 3.43Å; N247-I269 HydrophobicContact CB-CG1 4.17Å; N247-I269 PolarHBondContact OD1-O 3.33Å; N247-A271 WeakPolarHBondContact OD1-CB 3.45Å; N247-A271 PolarHBondContact OD1-N 3.2Å
248K92.3Very high92.5Very high52 Ų5248.8 Ų48.823%0.22625%0.247CC..  trans72.237.4-179.7-50.2-175-172.8168.80114.3S73 D149 V150 D250 Q251 I269S73-K248 PolarHBondContact O-NZ 3.38Å; D149-K248 WeakPolarHBondContact OD2-CD 3.43Å; D149-K248 WeakPolarHBondContact OD2-CE 3.3Å; D149-K248 IonicContact OD2-NZ 3.45Å; D149-K248 PolarHBondContact OD2-NZ 2.88Å; V150-K248 HydrophobicContact CG1-CB 4.42Å; V150-K248 WeakPolarHBondContact CG1-O 3.35Å; K248-D250 VanDerWaalsContact CA-OD1 3.31Å; K248-D250 WeakPolarHBondContact CA-OD1 3.36Å; K248-D250 PolarHBondContact O-N 2.86Å; K248-D250 VanDerWaalsContact O-N 3.15Å; K248-Q251 HydrophobicContact CB-CG 4.49Å; K248-Q251 PolarHBondContact O-N 2.77Å; K248-Q251 VanDerWaalsContact O-N 3.1Å; K248-I269 PolarHBondContact N-O 2.83Å
249I93.6Very high92.5Very high11 Ų1152 Ų526%0.05626%0.262CS..G310 helixtrans-67.8-10.1177.469.3177.3000113.5Q251 I252 L257 P268 I269 W275I249-Q251 PolarHBondContact O-N 2.96Å; I249-Q251 VanDerWaalsContact O-N 3.14Å; I249-I252 HydrophobicContact CB-CD1 4.04Å; I249-I252 HydrophobicContact CB-CG1 4.04Å; I249-I252 HydrophobicContact CG2-CD1 4.1Å; I249-I252 WeakPolarHBondContact O-CG1 3.12Å; I249-I252 PolarHBondContact O-N 3.18Å; I249-L257 HydrophobicContact CD1-CD1 4.37Å; I249-P268 HydrophobicContact CD1-CB 4.45Å; I249-P268 HydrophobicContact CG2-CB 3.74Å; I249-I269 WeakPolarHBondContact CG1-O 3.46Å; I249-I269 WeakPolarHBondContact CG2-O 3.49Å; I249-I269 PolarHBondContact N-O 3.49Å; I249-W275 HydrophobicContact CD1-CB 4.4Å; I249-W275 HydrophobicContact CD1-CE3 4.15Å; I249-W275 HydrophobicContact CG1-CE3 4Å
250D92.3Very high92.4Very high66 Ų6650.3 Ų50.335%0.35326%0.256SS..G310 helixtrans-58.9-15.5167.345.2-77.1000113.5K248 S270 W275K248-D250 VanDerWaalsContact CA-OD1 3.31Å; K248-D250 WeakPolarHBondContact CA-OD1 3.36Å; K248-D250 PolarHBondContact O-N 2.86Å; K248-D250 VanDerWaalsContact O-N 3.15Å; D250-S270 PolarHBondContact OD1-OG 2.95Å; D250-W275 HydrophobicContact CB-CZ3 4.34Å
251Q90.8Very high92.2Very high104 Ų10454 Ų5449%0.48627%0.271SS..G310 helixtrans-101.51-178.1-53.9-174.311.400113.6K248 I249K248-Q251 HydrophobicContact CB-CG 4.49Å; K248-Q251 PolarHBondContact O-N 2.77Å; K248-Q251 VanDerWaalsContact O-N 3.1Å; I249-Q251 PolarHBondContact O-N 2.96Å; I249-Q251 VanDerWaalsContact O-N 3.14Å
252I91.2Very high92Very high32 Ų3260.3 Ų60.316%0.16429%0.294CS..SBendtrans-117.9160.4179.663.8168.2000111V150 I249 E256 L257 I260V150-I252 HydrophobicContact CG1-CG2 3.84Å; V150-I252 HydrophobicContact CG2-CD1 4.22Å; V150-I252 HydrophobicContact CG2-CG2 4.16Å; I249-I252 HydrophobicContact CB-CD1 4.04Å; I249-I252 HydrophobicContact CB-CG1 4.04Å; I249-I252 HydrophobicContact CG2-CD1 4.1Å; I249-I252 WeakPolarHBondContact O-CG1 3.12Å; I249-I252 PolarHBondContact O-N 3.18Å; I252-E256 HydrophobicContact CB-CB 4.27Å; I252-E256 HydrophobicContact CD1-CB 4.5Å; I252-L257 HydrophobicContact CD1-CB 4.2Å; I252-L257 HydrophobicContact CD1-CD1 4.29Å; I252-I260 HydrophobicContact CD1-CD1 3.52Å
253S92.6Very high91.7Very high54 Ų5463.6 Ų63.638%0.37831%0.314SS..  trans-79.3164.3173.864.60000112.3E255 E256 L257S253-E255 VanDerWaalsContact C-N 3.3Å; S253-E255 PolarHBondContact O-N 3.37Å; S253-E256 WeakPolarHBondContact CB-OE2 3.13Å; S253-E256 PolarHBondContact N-OE2 2.92Å; S253-E256 PolarHBondContact O-N 3.16Å; S253-E256 VanDerWaalsContact OG-CD 3.31Å; S253-E256 VanDerWaalsContact OG-CG 3.3Å; S253-E256 WeakPolarHBondContact OG-CG 3.23Å; S253-E256 PolarHBondContact OG-N 2.78Å; S253-E256 PolarHBondContact OG-OE2 3.04Å; S253-L257 PolarHBondContact O-N 3.06Å; S253-L257 VanDerWaalsContact O-N 3.11Å
254I89.9Confident91.5Very high135 Ų13567.9 Ų67.969%0.69234%0.342SS*.Hα-helixtrans-64.2-36.1176.9-60.2171.8000111E256 L257 D258I254-E256 VanDerWaalsContact C-N 3.35Å; I254-E256 PolarHBondContact O-N 3.35Å; I254-L257 WeakPolarHBondContact O-CB 3.39Å; I254-L257 PolarHBondContact O-N 3.15Å; I254-D258 PolarHBondContact O-N 2.79Å; I254-D258 VanDerWaalsContact O-N 3.12Å
255E90.8Very high91.4Very high155 Ų15569.9 Ų69.972%0.72435%0.352SS*.Hα-helixtrans-64.8-38.9178.3-62.4178.2-176.100112S253 L257 D258 I259S253-E255 VanDerWaalsContact C-N 3.3Å; S253-E255 PolarHBondContact O-N 3.37Å; E255-L257 VanDerWaalsContact C-N 3.35Å; E255-D258 PolarHBondContact O-N 3Å; E255-I259 PolarHBondContact O-N 2.99Å
256E89.4Confident91.3Very high97 Ų9770 Ų7045%0.45335%0.353SS..Hα-helixtrans-68.1-36.2174.4-70.5166.9131.500111.7I252 S253 I254 D258 I259 I260I252-E256 HydrophobicContact CB-CB 4.27Å; I252-E256 HydrophobicContact CD1-CB 4.5Å; S253-E256 WeakPolarHBondContact CB-OE2 3.13Å; S253-E256 PolarHBondContact N-OE2 2.92Å; S253-E256 PolarHBondContact O-N 3.16Å; S253-E256 VanDerWaalsContact OG-CD 3.31Å; S253-E256 VanDerWaalsContact OG-CG 3.3Å; S253-E256 WeakPolarHBondContact OG-CG 3.23Å; S253-E256 PolarHBondContact OG-N 2.78Å; S253-E256 PolarHBondContact OG-OE2 3.04Å; I254-E256 VanDerWaalsContact C-N 3.35Å; I254-E256 PolarHBondContact O-N 3.35Å; E256-D258 VanDerWaalsContact C-N 3.34Å; E256-D258 PolarHBondContact O-N 3.4Å; E256-I259 PolarHBondContact O-N 3.48Å; E256-I260 WeakPolarHBondContact O-CG1 3.36Å; E256-I260 PolarHBondContact O-N 3.02Å; E256-I260 VanDerWaalsContact O-N 3.1Å
257L90.2Very high91.3Very high35 Ų3569.1 Ų69.118%0.18335%0.348CS..Hα-helixtrans-60.8-42.4176-177.264.1000111.7I249 I252 S253 I254 E255 I259 I260 Y261 P268I249-L257 HydrophobicContact CD1-CD1 4.37Å; I252-L257 HydrophobicContact CD1-CB 4.2Å; I252-L257 HydrophobicContact CD1-CD1 4.29Å; S253-L257 PolarHBondContact O-N 3.06Å; S253-L257 VanDerWaalsContact O-N 3.11Å; I254-L257 WeakPolarHBondContact O-CB 3.39Å; I254-L257 PolarHBondContact O-N 3.15Å; E255-L257 VanDerWaalsContact C-N 3.35Å; L257-I259 VanDerWaalsContact C-N 3.28Å; L257-I259 PolarHBondContact O-N 2.81Å; L257-I260 WeakPolarHBondContact O-CB 3.39Å; L257-I260 PolarHBondContact O-N 3.17Å; L257-I260 VanDerWaalsContact O-N 3.1Å; L257-Y261 HydrophobicContact CD1-CD2 4.34Å; L257-Y261 HydrophobicContact CD1-CE2 3.88Å; L257-Y261 HydrophobicContact CD2-CE2 4.31Å; L257-Y261 HydrophobicContact CG-CD2 4.14Å; L257-Y261 HydrophobicContact CG-CE2 3.8Å; L257-Y261 VanDerWaalsContact O-CD2 3.29Å; L257-Y261 WeakPolarHBondContact O-CD2 3.36Å; L257-Y261 PolarHBondContact O-N 3.45Å; L257-Y261 VanDerWaalsContact O-N 3.13Å; L257-P268 HydrophobicContact CD1-CB 3.35Å; L257-P268 HydrophobicContact CD1-CG 3.45Å; L257-P268 VanDerWaalsContact CD1-CG 3.45Å
258D88.9Confident91.3Very high96 Ų9668.8 Ų68.851%0.51335%0.346SS..Hα-helixtrans-62.7-33.7177-75.2-18.3000112.9I254 E255 E256I254-D258 PolarHBondContact O-N 2.79Å; I254-D258 VanDerWaalsContact O-N 3.12Å; E255-D258 PolarHBondContact O-N 3Å; E256-D258 VanDerWaalsContact C-N 3.34Å; E256-D258 PolarHBondContact O-N 3.4Å
259I89.7Confident91.4Very high107 Ų10766.3 Ų66.355%0.54934%0.336SS..Hα-helixtrans-68.7-40.2174.5-64.8161.8000110.3E255 E256 L257 Y261 K262E255-I259 PolarHBondContact O-N 2.99Å; E256-I259 PolarHBondContact O-N 3.48Å; L257-I259 VanDerWaalsContact C-N 3.28Å; L257-I259 PolarHBondContact O-N 2.81Å; I259-Y261 VanDerWaalsContact C-N 3.32Å; I259-Y261 PolarHBondContact O-N 3.43Å; I259-K262 WeakPolarHBondContact O-CB 3.41Å; I259-K262 PolarHBondContact O-N 3.37Å; I259-K262 VanDerWaalsContact O-N 3.15Å
260I89.3Confident91.5Very high23 Ų2365.9 Ų65.912%0.11833%0.333CS..Hα-helixtrans-62.2-39.1179.2-71.5168000111.5V150 L246 I252 E256 L257 K262 V263 P268V150-I260 HydrophobicContact CG2-CD1 3.59Å; L246-I260 HydrophobicContact CD1-CD1 4.31Å; L246-I260 HydrophobicContact CD1-CG1 4.32Å; L246-I260 HydrophobicContact CD1-CG2 3.67Å; I252-I260 HydrophobicContact CD1-CD1 3.52Å; E256-I260 WeakPolarHBondContact O-CG1 3.36Å; E256-I260 PolarHBondContact O-N 3.02Å; E256-I260 VanDerWaalsContact O-N 3.1Å; L257-I260 WeakPolarHBondContact O-CB 3.39Å; L257-I260 PolarHBondContact O-N 3.17Å; L257-I260 VanDerWaalsContact O-N 3.1Å; I260-K262 PolarHBondContact O-N 3.06Å; I260-V263 WeakPolarHBondContact O-CB 3.45Å; I260-V263 PolarHBondContact O-N 3.37Å; I260-P268 HydrophobicContact CG2-CB 4.01Å; I260-P268 HydrophobicContact CG2-CG 4.12Å
261Y88.9Confident91.3Very high83 Ų8362.8 Ų62.833%0.32532%0.317SS..Hα-helixtrans-62.3-22.1177.6-85.5-72.9000114L257 I259 V263 P268 N276L257-Y261 HydrophobicContact CD1-CD2 4.34Å; L257-Y261 HydrophobicContact CD1-CE2 3.88Å; L257-Y261 HydrophobicContact CD2-CE2 4.31Å; L257-Y261 HydrophobicContact CG-CD2 4.14Å; L257-Y261 HydrophobicContact CG-CE2 3.8Å; L257-Y261 VanDerWaalsContact O-CD2 3.29Å; L257-Y261 WeakPolarHBondContact O-CD2 3.36Å; L257-Y261 PolarHBondContact O-N 3.45Å; L257-Y261 VanDerWaalsContact O-N 3.13Å; I259-Y261 VanDerWaalsContact C-N 3.32Å; I259-Y261 PolarHBondContact O-N 3.43Å; Y261-V263 VanDerWaalsContact C-N 3.26Å; Y261-V263 PolarHBondContact O-N 2.61Å; Y261-P268 HydrophobicContact CD1-CG 4.36Å; Y261-P268 HydrophobicContact CD2-CG 4.09Å; Y261-P268 HydrophobicContact CE1-CG 3.87Å; Y261-P268 HydrophobicContact CE2-CG 3.55Å; Y261-P268 HydrophobicContact CG-CG 4.46Å; Y261-P268 VanDerWaalsContact CZ-CG 3.43Å; Y261-N276 PolarHBondContact OH-ND2 2.91Å
262K90.2Very high91.2Very high169 Ų16964.9 Ų64.974%0.73533%0.327SS*.THydrogen-bonded Turntrans-74.7-17.1174.7-60.7173.6-175.1172.50112.6I259 I260I259-K262 WeakPolarHBondContact O-CB 3.41Å; I259-K262 PolarHBondContact O-N 3.37Å; I259-K262 VanDerWaalsContact O-N 3.15Å; I260-K262 PolarHBondContact O-N 3.06Å
263V89.4Confident91.1Very high68 Ų6867.8 Ų67.841%0.41234%0.34SS..SBendtrans-76.6126.4178.8-176.50000109.3I260 Y261 C266I260-V263 WeakPolarHBondContact O-CB 3.45Å; I260-V263 PolarHBondContact O-N 3.37Å; Y261-V263 VanDerWaalsContact C-N 3.26Å; Y261-V263 PolarHBondContact O-N 2.61Å; V263-C266 HydrophobicContact CB-CB 3.99Å; V263-C266 HydrophobicContact CG1-CB 4.12Å; V263-C266 WeakPolarHBondContact O-CB 3.37Å
264P91.5Very high90.9Very high91 Ų9171.9 Ų71.959%0.59135%0.347SS*.THydrogen-bonded Turntrans-65.9149.4-177.928.5-36.1000111.4C266P264-C266 PolarHBondContact O-N 2.72Å; P264-C266 VanDerWaalsContact O-N 3.1Å
265H92.9Very high91Very high64 Ų6471.5 Ų71.530%0.29634%0.337SS..THydrogen-bonded Turntrans58.518.6178.8-44-73000114.5I243 Y244 Y287I243-H265 CarbonylContact C-O 3.56Å; I243-H265 WeakPolarHBondContact CA-O 3.47Å; Y244-H265 HydrophobicContact CD2-CB 4.13Å; Y244-H265 HydrophobicContact CE2-CB 4.38Å; Y244-H265 PolarHBondContact N-O 3.3Å; H265-Y287 AromaticContact ND1-CE1 3.46Å; H265-Y287 WeakPolarHBondContact ND1-CE1 3.43Å; H265-Y287 AromaticContact ND1-CZ 3.46Å; H265-Y287 PolarHBondContact ND1-OH 2.95Å
266C93.5Very high91Very high3 Ų366.1 Ų66.12%0.0231%0.313CS..EExtended strand (participates in β ladder)trans-104.8136.8-176.8-172.90000111.6Y244 L246 V263 P264 R283Y244-C266 CarbonylContact O-C 3.52Å; Y244-C266 WeakPolarHBondContact O-CA 2.97Å; L246-C266 WeakPolarHBondContact CD1-SG 3.37Å; L246-C266 WeakPolarHBondContact CG-SG 3.33Å; V263-C266 HydrophobicContact CB-CB 3.99Å; V263-C266 HydrophobicContact CG1-CB 4.12Å; V263-C266 WeakPolarHBondContact O-CB 3.37Å; P264-C266 PolarHBondContact O-N 2.72Å; P264-C266 VanDerWaalsContact O-N 3.1Å; C266-R283 PolarHBondContact O-NH1 3.32Å
267V94.9Very high91.1Very high0 Ų062 Ų620%029%0.293CS..EExtended strand (participates in β ladder)trans-127.8111.1171.3-176.70000109.3I243 Y244 V245 L246 I269 L280 R283I243-V267 HydrophobicContact CG2-CB 4.27Å; I243-V267 HydrophobicContact CG2-CG2 3.7Å; Y244-V267 PolarHBondContact O-N 2.91Å; V245-V267 WeakPolarHBondContact CA-O 3.37Å; L246-V267 PolarHBondContact N-O 3.36Å; V267-I269 HydrophobicContact CG1-CG2 3.87Å; V267-L280 HydrophobicContact CB-CD1 4.22Å; V267-L280 HydrophobicContact CG1-CB 4.02Å; V267-L280 HydrophobicContact CG1-CD1 4.24Å; V267-L280 HydrophobicContact CG2-CD1 4.36Å; V267-R283 HydrophobicContact CG2-CB 4.26Å; V267-R283 HydrophobicContact CG2-CG 4.15Å
268P95.1Very high91.1Very high0 Ų065.4 Ų65.40%031%0.312CS..EExtended strand (participates in β ladder)trans-74.9130.517326.6-27.6000110.8L246 I249 L257 I260 Y261 N276L246-P268 CarbonylContact O-C 3.38Å; L246-P268 WeakPolarHBondContact O-CA 3.32Å; I249-P268 HydrophobicContact CD1-CB 4.45Å; I249-P268 HydrophobicContact CG2-CB 3.74Å; L257-P268 HydrophobicContact CD1-CB 3.35Å; L257-P268 HydrophobicContact CD1-CG 3.45Å; L257-P268 VanDerWaalsContact CD1-CG 3.45Å; I260-P268 HydrophobicContact CG2-CB 4.01Å; I260-P268 HydrophobicContact CG2-CG 4.12Å; Y261-P268 HydrophobicContact CD1-CG 4.36Å; Y261-P268 HydrophobicContact CD2-CG 4.09Å; Y261-P268 HydrophobicContact CE1-CG 3.87Å; Y261-P268 HydrophobicContact CE2-CG 3.55Å; Y261-P268 HydrophobicContact CG-CG 4.46Å; Y261-P268 VanDerWaalsContact CZ-CG 3.43Å; P268-N276 WeakPolarHBondContact O-CB 3.14Å; P268-N276 PolarHBondContact O-ND2 3.42Å
269I95Very high91.3Very high0 Ų062.5 Ų62.50%030%0.296CS..EExtended strand (participates in β ladder)trans-138.9159.517967.3162.4000112.4L79 V245 L246 N247 K248 I249 V267 N276 F277 L280L79-I269 HydrophobicContact CD1-CD1 3.57Å; L79-I269 HydrophobicContact CD2-CD1 3.78Å; L79-I269 HydrophobicContact CG-CD1 4.23Å; V245-I269 HydrophobicContact CG1-CD1 3.22Å; V245-I269 HydrophobicContact CG1-CG1 3.51Å; V245-I269 HydrophobicContact CG1-CG2 4.33Å; L246-I269 PolarHBondContact O-N 3.42Å; N247-I269 CarbonylContact C-O 3.6Å; N247-I269 VanDerWaalsContact CA-O 3.31Å; N247-I269 WeakPolarHBondContact CA-O 3.43Å; N247-I269 HydrophobicContact CB-CG1 4.17Å; N247-I269 PolarHBondContact OD1-O 3.33Å; K248-I269 PolarHBondContact N-O 2.83Å; I249-I269 WeakPolarHBondContact CG1-O 3.46Å; I249-I269 WeakPolarHBondContact CG2-O 3.49Å; I249-I269 PolarHBondContact N-O 3.49Å; V267-I269 HydrophobicContact CG1-CG2 3.87Å; I269-N276 HydrophobicContact CG2-CB 4.16Å; I269-F277 HydrophobicContact CD1-CE1 4.33Å; I269-L280 HydrophobicContact CG2-CB 4.45Å; I269-L280 HydrophobicContact CG2-CD2 4.5Å
270S94.2Very high91.5Very high1 Ų157.4 Ų57.41%0.00727%0.27CS..BIsolated β-bridgetrans-118.3107.1159.7-177.40000109D250 H272 H273 R274 W275D250-S270 PolarHBondContact OD1-OG 2.95Å; S270-H272 PolarHBondContact O-N 3.28Å; S270-H273 PolarHBondContact O-N 3.41Å; S270-H273 PolarHBondContact OG-N 3.37Å; S270-R274 VanDerWaalsContact O-CA 3.28Å; S270-R274 WeakPolarHBondContact O-CA 3.31Å; S270-R274 PolarHBondContact O-N 3.44Å; S270-W275 PolarHBondContact N-O 2.92Å; S270-W275 PolarHBondContact O-N 2.94Å
271A88.9Confident91.6Very high2 Ų256.4 Ų56.42%0.01727%0.265CS..THydrogen-bonded Turntrans-64.8-26.9179.300000112.8T78 L79 N82 N247T78-A271 HydrophobicContact CG2-CB 4.29Å; L79-A271 HydrophobicContact CB-CB 4.33Å; N82-A271 PolarHBondContact ND2-O 2.96Å; N247-A271 WeakPolarHBondContact OD1-CB 3.45Å; N247-A271 PolarHBondContact OD1-N 3.2Å
272H87.9Confident91.8Very high148 Ų14857.1 Ų57.169%0.68527%0.271SS*.THydrogen-bonded Turntrans-75.4-47.8178.4-172.8-96.1000111.4S270S270-H272 PolarHBondContact O-N 3.28Å
273H89.2Confident92Very high93 Ų9351.8 Ų51.843%0.43125%0.246SC..THydrogen-bonded Turntrans-89-4.7-178.8-64.6-75.8000114.3S270 W275S270-H273 PolarHBondContact O-N 3.41Å; S270-H273 PolarHBondContact OG-N 3.37Å; H273-W275 VanDerWaalsContact C-N 3.3Å; H273-W275 HydrophobicContact CB-CD2 3.88Å; H273-W275 HydrophobicContact CB-CG 4.04Å; H273-W275 HydrophobicContact CB-CZ2 4.05Å; H273-W275 PolarHBondContact O-N 3.17Å
274R89Confident92.2Very high139 Ų13948.6 Ų48.653%0.52523%0.227SC..THydrogen-bonded Turntrans60.533.8-177.1-55.9177.8176.4178.6-2.7113.9N82 S270N82-R274 PolarHBondContact OD1-NE 3.35Å; N82-R274 PolarHBondContact OD1-NH2 3.44Å; S270-R274 VanDerWaalsContact O-CA 3.28Å; S270-R274 WeakPolarHBondContact O-CA 3.31Å; S270-R274 PolarHBondContact O-N 3.44Å
275W92Very high92.3Very high128 Ų12844.9 Ų44.949%0.48520%0.201SC..BIsolated β-bridgetrans-79140.9176.2-61.4-16.4000111.3I249 D250 S270 H273 F277I249-W275 HydrophobicContact CD1-CB 4.4Å; I249-W275 HydrophobicContact CD1-CE3 4.15Å; I249-W275 HydrophobicContact CG1-CE3 4Å; D250-W275 HydrophobicContact CB-CZ3 4.34Å; S270-W275 PolarHBondContact N-O 2.92Å; S270-W275 PolarHBondContact O-N 2.94Å; H273-W275 VanDerWaalsContact C-N 3.3Å; H273-W275 HydrophobicContact CB-CD2 3.88Å; H273-W275 HydrophobicContact CB-CG 4.04Å; H273-W275 HydrophobicContact CB-CZ2 4.05Å; H273-W275 PolarHBondContact O-N 3.17Å; W275-F277 VanDerWaalsContact C-N 3.29Å; W275-F277 WeakPolarHBondContact O-CD1 3.42Å; W275-F277 PolarHBondContact O-N 3.41Å
276N91.5Very high92.3Very high41 Ų4146.2 Ų46.222%0.21921%0.211CC..THydrogen-bonded Turntrans6128.1175.5-60.4-8.2000115.3Y261 P268 I269 D278 L280Y261-N276 PolarHBondContact OH-ND2 2.91Å; P268-N276 WeakPolarHBondContact O-CB 3.14Å; P268-N276 PolarHBondContact O-ND2 3.42Å; I269-N276 HydrophobicContact CG2-CB 4.16Å; N276-D278 VanDerWaalsContact C-N 3.34Å; N276-D278 WeakPolarHBondContact CA-OD1 3.14Å; N276-L280 WeakPolarHBondContact O-CB 3.39Å; N276-L280 PolarHBondContact O-N 3.42Å; N276-L280 VanDerWaalsContact O-N 3.1Å
277F90.9Very high92.3Very high11 Ų1148.8 Ų48.85%0.04822%0.22CC..Hα-helixtrans-73.2-31.7175.6-86.140.3000111.9L79 N82 L83 I269 W275 L281L79-F277 HydrophobicContact CD1-CE1 3.81Å; L79-F277 HydrophobicContact CD1-CE2 3.83Å; L79-F277 HydrophobicContact CD1-CZ 3.37Å; N82-F277 HydrophobicContact CB-CE2 3.56Å; N82-F277 HydrophobicContact CB-CZ 4.08Å; L83-F277 HydrophobicContact CD2-CD2 3.62Å; L83-F277 HydrophobicContact CD2-CE2 4.04Å; L83-F277 HydrophobicContact CD2-CG 4.36Å; L83-F277 HydrophobicContact CG-CD2 4.15Å; L83-F277 HydrophobicContact CG-CE2 4.03Å; I269-F277 HydrophobicContact CD1-CE1 4.33Å; W275-F277 VanDerWaalsContact C-N 3.29Å; W275-F277 WeakPolarHBondContact O-CD1 3.42Å; W275-F277 PolarHBondContact O-N 3.41Å; F277-L281 WeakPolarHBondContact O-CB 3.3Å; F277-L281 VanDerWaalsContact O-CG 3.27Å; F277-L281 WeakPolarHBondContact O-CG 3.48Å; F277-L281 PolarHBondContact O-N 3.16Å
278D90.9Very high92.2Very high107 Ų10749.3 Ų49.357%0.57222%0.223SC*.Hα-helixtrans-60.7-53.3170.752.1-19000111.9N276 L280 L281 E282N276-D278 VanDerWaalsContact C-N 3.34Å; N276-D278 WeakPolarHBondContact CA-OD1 3.14Å; D278-L280 VanDerWaalsContact C-N 3.31Å; D278-L280 PolarHBondContact O-N 2.89Å; D278-L281 PolarHBondContact O-N 3.38Å; D278-L281 VanDerWaalsContact O-N 3.16Å; D278-E282 PolarHBondContact O-N 2.79Å
279D92.4Very high92Very high34 Ų3454.9 Ų54.918%0.18225%0.247CC..Hα-helixtrans-59.5-42.2175.6-179.139.8000110.9L281 E282 R283D279-L281 PolarHBondContact O-N 2.91Å; D279-E282 PolarHBondContact O-N 3.1Å; D279-R283 WeakPolarHBondContact O-CB 3.41Å; D279-R283 VanDerWaalsContact O-CG 3.32Å; D279-R283 WeakPolarHBondContact O-CG 3.42Å; D279-R283 PolarHBondContact O-N 2.8Å; D279-R283 IonicContact OD1-NE 3.53Å; D279-R283 IonicContact OD2-NE 3.07Å
280L93.4Very high91.9Very high0 Ų055.3 Ų55.30%025%0.249CC..Hα-helixtrans-59.1-45.9175.4-179.461.5000112.2L79 L83 L145 I243 V245 V267 I269 N276 D278 M284L79-L280 HydrophobicContact CD1-CD2 4.14Å; L79-L280 HydrophobicContact CD2-CD2 4.45Å; L83-L280 HydrophobicContact CD1-CD2 4.26Å; L145-L280 HydrophobicContact CD2-CD1 4.49Å; I243-L280 HydrophobicContact CG2-CD1 4.35Å; V245-L280 HydrophobicContact CG2-CD1 3.76Å; V267-L280 HydrophobicContact CB-CD1 4.22Å; V267-L280 HydrophobicContact CG1-CB 4.02Å; V267-L280 HydrophobicContact CG1-CD1 4.24Å; V267-L280 HydrophobicContact CG2-CD1 4.36Å; I269-L280 HydrophobicContact CG2-CB 4.45Å; I269-L280 HydrophobicContact CG2-CD2 4.5Å; N276-L280 WeakPolarHBondContact O-CB 3.39Å; N276-L280 PolarHBondContact O-N 3.42Å; N276-L280 VanDerWaalsContact O-N 3.1Å; D278-L280 VanDerWaalsContact C-N 3.31Å; D278-L280 PolarHBondContact O-N 2.89Å; L280-M284 HydrophobicContact CD1-CG 4.39Å; L280-M284 HydrophobicContact CD1-SD 4.36Å; L280-M284 HydrophobicContact CG-SD 4.01Å; L280-M284 WeakPolarHBondContact O-CB 3.11Å; L280-M284 WeakPolarHBondContact O-CG 3.4Å; L280-M284 PolarHBondContact O-N 3.09Å
281L92.4Very high91.8Very high2 Ų256.1 Ų56.11%0.0125%0.254CS..Hα-helixtrans-68.1-39.1179.9-75.6170.4000112.5L83 Y87 I105 Y107 F277 D278 D279 M284 W285L83-L281 HydrophobicContact CD2-CD1 4.47Å; L83-L281 HydrophobicContact CD2-CD2 4.21Å; L83-L281 HydrophobicContact CD2-CG 4.27Å; Y87-L281 HydrophobicContact CD1-CD1 4.27Å; Y87-L281 HydrophobicContact CD2-CD1 3.86Å; Y87-L281 HydrophobicContact CE1-CD1 3.8Å; Y87-L281 HydrophobicContact CE2-CD1 3.35Å; Y87-L281 HydrophobicContact CG-CD1 4.29Å; I105-L281 HydrophobicContact CD1-CD2 3.75Å; Y107-L281 HydrophobicContact CD2-CB 4.16Å; Y107-L281 HydrophobicContact CD2-CD1 4.19Å; Y107-L281 HydrophobicContact CD2-CD2 4.45Å; Y107-L281 HydrophobicContact CE2-CB 3.71Å; Y107-L281 HydrophobicContact CE2-CD1 4.14Å; Y107-L281 HydrophobicContact CE2-CG 4.44Å; F277-L281 WeakPolarHBondContact O-CB 3.3Å; F277-L281 VanDerWaalsContact O-CG 3.27Å; F277-L281 WeakPolarHBondContact O-CG 3.48Å; F277-L281 PolarHBondContact O-N 3.16Å; D278-L281 PolarHBondContact O-N 3.38Å; D278-L281 VanDerWaalsContact O-N 3.16Å; D279-L281 PolarHBondContact O-N 2.91Å; L281-M284 HydrophobicContact CD2-CE 4.48Å; L281-M284 HydrophobicContact CD2-SD 4.29Å; L281-M284 WeakPolarHBondContact O-CB 3.34Å; L281-M284 PolarHBondContact O-N 3.4Å; L281-W285 PolarHBondContact O-N 2.9Å
282E92.7Very high92Very high99 Ų9957 Ų5746%0.46326%0.257SS..Hα-helixtrans-64.3-47.6176-175.2161.4-146.500110.9D278 D279 M284 W285 D286D278-E282 PolarHBondContact O-N 2.79Å; D279-E282 PolarHBondContact O-N 3.1Å; E282-M284 VanDerWaalsContact C-N 3.32Å; E282-M284 PolarHBondContact O-N 2.99Å; E282-W285 VanDerWaalsContact O-CB 3.3Å; E282-W285 WeakPolarHBondContact O-CB 3.32Å; E282-W285 PolarHBondContact O-N 2.81Å; E282-W285 VanDerWaalsContact O-N 3.1Å; E282-D286 PolarHBondContact O-N 3.1Å
283R94.1Very high92.2Very high56 Ų5650 Ų5021%0.21123%0.225CC..Hα-helixtrans-63.4-37174.4-67.6-146.1-166.3-174.9-5.5113.1I243 C266 V267 D279 W285 D286 Y287I243-R283 HydrophobicContact CD1-CB 4.11Å; C266-R283 PolarHBondContact O-NH1 3.32Å; V267-R283 HydrophobicContact CG2-CB 4.26Å; V267-R283 HydrophobicContact CG2-CG 4.15Å; D279-R283 WeakPolarHBondContact O-CB 3.41Å; D279-R283 VanDerWaalsContact O-CG 3.32Å; D279-R283 WeakPolarHBondContact O-CG 3.42Å; D279-R283 PolarHBondContact O-N 2.8Å; D279-R283 IonicContact OD1-NE 3.53Å; D279-R283 IonicContact OD2-NE 3.07Å; R283-W285 VanDerWaalsContact C-N 3.29Å; R283-W285 PolarHBondContact O-N 2.86Å; R283-D286 PolarHBondContact O-N 2.9Å; R283-Y287 WeakPolarHBondContact O-CD2 3.38Å; R283-Y287 PolarHBondContact O-N 2.92Å
284M94.1Very high92.5Very high1 Ų146.6 Ų46.61%0.00521%0.208CC..Hα-helixtrans-59.3-43.3173.3-78.3170.358.800111.1V66 L114 L143 L145 I243 L280 L281 E282 Y287 L288V66-M284 HydrophobicContact CB-CE 4.35Å; V66-M284 HydrophobicContact CG1-CE 4.01Å; V66-M284 HydrophobicContact CG2-CE 3.95Å; L114-M284 HydrophobicContact CD2-CE 4.21Å; L143-M284 HydrophobicContact CD2-CB 4Å; L143-M284 HydrophobicContact CD2-CG 3.84Å; L145-M284 HydrophobicContact CD1-CE 4.37Å; L145-M284 HydrophobicContact CD1-CG 4.4Å; L145-M284 HydrophobicContact CD1-SD 3.81Å; L145-M284 HydrophobicContact CD2-CG 4.11Å; I243-M284 HydrophobicContact CD1-CG 4.19Å; L280-M284 HydrophobicContact CD1-CG 4.39Å; L280-M284 HydrophobicContact CD1-SD 4.36Å; L280-M284 HydrophobicContact CG-SD 4.01Å; L280-M284 WeakPolarHBondContact O-CB 3.11Å; L280-M284 WeakPolarHBondContact O-CG 3.4Å; L280-M284 PolarHBondContact O-N 3.09Å; L281-M284 HydrophobicContact CD2-CE 4.48Å; L281-M284 HydrophobicContact CD2-SD 4.29Å; L281-M284 WeakPolarHBondContact O-CB 3.34Å; L281-M284 PolarHBondContact O-N 3.4Å; E282-M284 VanDerWaalsContact C-N 3.32Å; E282-M284 PolarHBondContact O-N 2.99Å; M284-Y287 PolarHBondContact O-N 3.47Å; M284-L288 WeakPolarHBondContact O-CB 3.27Å; M284-L288 WeakPolarHBondContact O-CG 3.46Å; M284-L288 PolarHBondContact O-N 3.38Å
285W93.3Very high92.7Very high14 Ų1442 Ų425%0.05320%0.196CC..Hα-helixtrans-60.2-48.6177-178.6-96.8000112.1Y107 K108 A110 L281 E282 R283 Y287 L288 K289 L290 R292Y107-W285 HydrophobicContact CD1-CB 4.13Å; Y107-W285 HydrophobicContact CD1-CD2 4.25Å; Y107-W285 AromaticContact CD1-CE3 3.84Å; Y107-W285 HydrophobicContact CD1-CE3 3.84Å; Y107-W285 HydrophobicContact CD1-CG 4.4Å; Y107-W285 HydrophobicContact CE1-CB 3.75Å; Y107-W285 HydrophobicContact CE1-CD2 4.37Å; Y107-W285 HydrophobicContact CE1-CE3 4.41Å; Y107-W285 HydrophobicContact CE1-CG 4.11Å; K108-W285 HydrophobicContact CB-CD2 4.41Å; K108-W285 HydrophobicContact CB-CE3 4.28Å; K108-W285 HydrophobicContact CB-CH2 4.01Å; K108-W285 HydrophobicContact CB-CZ2 4.16Å; K108-W285 HydrophobicContact CB-CZ3 4.07Å; K108-W285 HydrophobicContact CD-CD2 3.81Å; K108-W285 HydrophobicContact CD-CE3 4.44Å; K108-W285 HydrophobicContact CD-CG 3.97Å; K108-W285 HydrophobicContact CD-CZ2 4.3Å; A110-W285 HydrophobicContact CB-CH2 4.06Å; A110-W285 HydrophobicContact CB-CZ3 3.67Å; L281-W285 PolarHBondContact O-N 2.9Å; E282-W285 VanDerWaalsContact O-CB 3.3Å; E282-W285 WeakPolarHBondContact O-CB 3.32Å; E282-W285 PolarHBondContact O-N 2.81Å; E282-W285 VanDerWaalsContact O-N 3.1Å; R283-W285 VanDerWaalsContact C-N 3.29Å; R283-W285 PolarHBondContact O-N 2.86Å; W285-Y287 VanDerWaalsContact C-N 3.29Å; W285-Y287 PolarHBondContact O-N 2.86Å; W285-L288 PolarHBondContact O-N 2.89Å; W285-K289 PolarHBondContact O-N 3.45Å; W285-L290 HydrophobicContact CE3-CD1 4.44Å; W285-L290 HydrophobicContact CH2-CB 4.01Å; W285-L290 HydrophobicContact CH2-CD1 4.4Å; W285-L290 HydrophobicContact CZ2-CB 4.4Å; W285-L290 HydrophobicContact CZ3-CB 4.29Å; W285-L290 HydrophobicContact CZ3-CD1 3.91Å; W285-R292 HydrophobicContact CH2-CG 3.82Å; W285-R292 HydrophobicContact CZ2-CG 4.02Å
286D93.3Very high92.7Very high92 Ų9238.2 Ų38.249%0.49218%0.183SC..Hα-helixtrans-62.2-36.7-179.3-67.2-12.2000112.4E282 R283 K289E282-D286 PolarHBondContact O-N 3.1Å; R283-D286 PolarHBondContact O-N 2.9Å; D286-K289 VanDerWaalsContact O-CG 3.22Å; D286-K289 WeakPolarHBondContact O-CG 3.46Å
287Y93.9Very high92.7Very high57 Ų5739 Ų3922%0.22419%0.19CC..Hα-helixtrans-77.6-31-179.7-82.6-126000112.4L143 P241 I243 H265 R283 M284 W285 K289L143-Y287 HydrophobicContact CD1-CD1 4.16Å; L143-Y287 HydrophobicContact CD1-CG 4.41Å; P241-Y287 HydrophobicContact CB-CD1 3.8Å; I243-Y287 HydrophobicContact CD1-CD1 4.23Å; I243-Y287 HydrophobicContact CD1-CD2 4.25Å; I243-Y287 HydrophobicContact CD1-CG 4.02Å; I243-Y287 HydrophobicContact CG1-CD1 3.78Å; I243-Y287 HydrophobicContact CG1-CD2 4.47Å; I243-Y287 HydrophobicContact CG1-CE1 3.94Å; I243-Y287 HydrophobicContact CG1-CG 4.09Å; H265-Y287 AromaticContact ND1-CE1 3.46Å; H265-Y287 WeakPolarHBondContact ND1-CE1 3.43Å; H265-Y287 AromaticContact ND1-CZ 3.46Å; H265-Y287 PolarHBondContact ND1-OH 2.95Å; R283-Y287 WeakPolarHBondContact O-CD2 3.38Å; R283-Y287 PolarHBondContact O-N 2.92Å; M284-Y287 PolarHBondContact O-N 3.47Å; W285-Y287 VanDerWaalsContact C-N 3.29Å; W285-Y287 PolarHBondContact O-N 2.86Å; Y287-K289 VanDerWaalsContact C-N 3.25Å; Y287-K289 PolarHBondContact O-N 3.36Å
288L92Very high92.6Very high11 Ų1147.3 Ų47.36%0.05823%0.226CC..Hα-helixtrans-71.4-22.6176.2-73.7172000112.4A64 V66 I112 N142 L143 M284 W285 L290A64-L288 HydrophobicContact CB-CD1 3.98Å; A64-L288 HydrophobicContact CB-CD2 3.88Å; A64-L288 HydrophobicContact CB-CG 4.49Å; V66-L288 HydrophobicContact CG2-CD1 4.15Å; V66-L288 HydrophobicContact CG2-CD2 4.32Å; I112-L288 HydrophobicContact CD1-CD1 3.89Å; I112-L288 HydrophobicContact CG1-CD1 4.38Å; I112-L288 HydrophobicContact CG2-CD1 4.31Å; N142-L288 HydrophobicContact CB-CD2 3.55Å; L143-L288 HydrophobicContact CB-CD2 3.69Å; L143-L288 HydrophobicContact CB-CG 4.32Å; L143-L288 HydrophobicContact CD2-CD2 4.44Å; L143-L288 HydrophobicContact CD2-CG 4.19Å; M284-L288 WeakPolarHBondContact O-CB 3.27Å; M284-L288 WeakPolarHBondContact O-CG 3.46Å; M284-L288 PolarHBondContact O-N 3.38Å; W285-L288 PolarHBondContact O-N 2.89Å; L288-L290 HydrophobicContact CB-CD1 4.16Å; L288-L290 HydrophobicContact CB-CD2 4.46Å; L288-L290 HydrophobicContact CB-CG 3.84Å; L288-L290 HydrophobicContact CD1-CD1 4.23Å; L288-L290 PolarHBondContact O-N 3.32Å
289K91.4Very high92.5Very high117 Ų11746 Ų4651%0.50924%0.238SC..THydrogen-bonded Turntrans47.245178.2-63.4-175.4177.8-174.60112.6W285 D286 Y287 D312W285-K289 PolarHBondContact O-N 3.45Å; D286-K289 VanDerWaalsContact O-CG 3.22Å; D286-K289 WeakPolarHBondContact O-CG 3.46Å; Y287-K289 VanDerWaalsContact C-N 3.25Å; Y287-K289 PolarHBondContact O-N 3.36Å; K289-D312 HydrophobicContact CB-CB 3.92Å; K289-D312 WeakPolarHBondContact CD-OD2 3.35Å
290L91.7Very high92.4Very high8 Ų850.4 Ų50.44%0.04226%0.258CS..  trans-76.8142.4179.6-62.2176000109.9A64 A110 W285 L288 V309A64-L290 HydrophobicContact CB-CD1 3.94Å; A64-L290 HydrophobicContact CB-CD2 4.22Å; A110-L290 HydrophobicContact CB-CD1 4.17Å; W285-L290 HydrophobicContact CE3-CD1 4.44Å; W285-L290 HydrophobicContact CH2-CB 4.01Å; W285-L290 HydrophobicContact CH2-CD1 4.4Å; W285-L290 HydrophobicContact CZ2-CB 4.4Å; W285-L290 HydrophobicContact CZ3-CB 4.29Å; W285-L290 HydrophobicContact CZ3-CD1 3.91Å; L288-L290 HydrophobicContact CB-CD1 4.16Å; L288-L290 HydrophobicContact CB-CD2 4.46Å; L288-L290 HydrophobicContact CB-CG 3.84Å; L288-L290 HydrophobicContact CD1-CD1 4.23Å; L288-L290 PolarHBondContact O-N 3.32Å; L290-V309 HydrophobicContact CB-CG1 3.76Å; L290-V309 HydrophobicContact CD1-CG1 4.03Å; L290-V309 HydrophobicContact CD2-CG1 4.18Å; L290-V309 HydrophobicContact CG-CG1 4.19Å
291V91.9Very high92.3Very high18 Ų1857.6 Ų57.611%0.10930%0.295CS..EExtended strand (participates in β ladder)trans-110.4117.4177.9170.80000108.5I293 V309 L310 T315 E356V291-I293 HydrophobicContact CG1-CD1 4.3Å; V291-I293 HydrophobicContact CG1-CG1 4.13Å; V291-V309 WeakPolarHBondContact O-CA 3.46Å; V291-L310 PolarHBondContact N-O 2.62Å; V291-L310 PolarHBondContact O-N 2.71Å; V291-T315 HydrophobicContact CB-CG2 3.88Å; V291-T315 HydrophobicContact CG1-CG2 4.25Å; V291-T315 HydrophobicContact CG2-CG2 3.7Å; V291-E356 WeakPolarHBondContact CG1-O 3.41Å
292R93.1Very high92.2Very high22 Ų2258.7 Ų58.78%0.08330%0.302CS..EExtended strand (participates in β ladder)trans-92.6126.3177.4-62.8167.5-68.5162.1-4.7108.9K108 W285 P307 V309 D357 E358K108-R292 WeakPolarHBondContact O-CD 3.38Å; W285-R292 HydrophobicContact CH2-CG 3.82Å; W285-R292 HydrophobicContact CZ2-CG 4.02Å; R292-P307 HydrophobicContact CB-CB 3.87Å; R292-P307 HydrophobicContact CB-CG 4.45Å; R292-P307 HydrophobicContact CG-CB 4.31Å; R292-P307 HydrophobicContact CG-CG 4.4Å; R292-V309 HydrophobicContact CG-CG2 4.19Å; R292-D357 VanDerWaalsContact CB-OD1 3.27Å; R292-D357 WeakPolarHBondContact CB-OD1 3.46Å; R292-D357 IonicContact CZ-OD1 2.78Å; R292-D357 IonicContact CZ-OD2 3.74Å; R292-D357 PolarHBondContact N-OD1 3.44Å; R292-D357 IonicContact NE-OD1 3.64Å; R292-D357 PolarHBondContact NE-OD1 3.47Å; R292-D357 VanDerWaalsContact NE-OD1 3.07Å; R292-D357 IonicContact NE-OD2 2.68Å; R292-D357 PolarHBondContact NE-OD2 3.48Å; R292-D357 IonicContact NH2-OD1 3.53Å; R292-D357 IonicContact NH2-OD2 3.21Å; R292-D357 PolarHBondContact NH2-OD2 3.12Å; R292-E358 IonicContact CZ-OE1 3.6Å; R292-E358 IonicContact NH1-OE1 3.99Å; R292-E358 PolarHBondContact NH1-OE1 3.11Å; R292-E358 VanDerWaalsContact NH1-OE1 3.15Å; R292-E358 VanDerWaalsContact NH2-CD 3.34Å; R292-E358 VanDerWaalsContact NH2-CG 3.35Å; R292-E358 IonicContact NH2-OE1 2.72Å; R292-E358 PolarHBondContact NH2-OE1 3.46Å; R292-E358 WeakPolarHBondContact O-CA 3.28Å; R292-E358 PolarHBondContact O-N 3.2Å
293I93.5Very high91.9Very high0 Ų056.8 Ų56.80%030%0.296CS..EExtended strand (participates in β ladder)trans-119.7128.5176.3-63.2152.8000108.9V291 V308 L310 F320 M355 D359 I361V291-I293 HydrophobicContact CG1-CD1 4.3Å; V291-I293 HydrophobicContact CG1-CG1 4.13Å; I293-V308 PolarHBondContact N-O 3.1Å; I293-V308 PolarHBondContact O-N 3.38Å; I293-L310 HydrophobicContact CD1-CD1 3.33Å; I293-L310 HydrophobicContact CD1-CG 3.93Å; I293-F320 HydrophobicContact CB-CD2 4.01Å; I293-F320 HydrophobicContact CB-CE2 3.85Å; I293-F320 HydrophobicContact CD1-CD2 3.86Å; I293-F320 HydrophobicContact CG2-CD2 3.8Å; I293-F320 HydrophobicContact CG2-CE2 3.43Å; I293-F320 VanDerWaalsContact CG2-CE2 3.43Å; I293-F320 HydrophobicContact CG2-CZ 4.17Å; I293-M355 HydrophobicContact CD1-CB 4.07Å; I293-M355 HydrophobicContact CD1-CE 3.42Å; I293-M355 VanDerWaalsContact CD1-CE 3.42Å; I293-M355 HydrophobicContact CD1-SD 3.69Å; I293-M355 HydrophobicContact CG1-CB 4.34Å; I293-M355 HydrophobicContact CG1-CE 4.47Å; I293-M355 HydrophobicContact CG1-SD 4.14Å; I293-M355 HydrophobicContact CG2-SD 4.11Å; I293-D359 CarbonylContact C-O 3.49Å; I293-D359 WeakPolarHBondContact CA-O 3.43Å; I293-I361 HydrophobicContact CG2-CB 4.07Å; I293-I361 HydrophobicContact CG2-CG2 3.41Å; I293-I361 VanDerWaalsContact CG2-CG2 3.41Å
294Y94.4Very high91.6Very high21 Ų2160.8 Ų60.88%0.08231%0.312CS..EExtended strand (participates in β ladder)trans-94.1130-178.6-62.8-69.9000110.8D303 Y304 P307 E358 D359 V360 I361Y294-D303 VanDerWaalsContact CD1-O 3.3Å; Y294-D303 WeakPolarHBondContact CD1-O 3.49Å; Y294-Y304 AromaticContact CD1-CD1 3.88Å; Y294-Y304 HydrophobicContact CD1-CD1 3.88Å; Y294-Y304 AromaticContact CD2-CD1 3.91Å; Y294-Y304 HydrophobicContact CD2-CD1 3.91Å; Y294-Y304 HydrophobicContact CD2-CE1 4.08Å; Y294-Y304 HydrophobicContact CE1-CD1 4.01Å; Y294-Y304 WeakPolarHBondContact CE1-O 3.41Å; Y294-Y304 HydrophobicContact CE2-CD1 4.07Å; Y294-Y304 HydrophobicContact CE2-CE1 4.48Å; Y294-Y304 AromaticContact CG-CD1 3.79Å; Y294-Y304 HydrophobicContact CG-CD1 3.79Å; Y294-Y304 HydrophobicContact CG-CE1 4.17Å; Y294-P307 HydrophobicContact CD1-CB 3.88Å; Y294-P307 HydrophobicContact CE1-CB 3.61Å; Y294-P307 HydrophobicContact CE1-CG 4.05Å; Y294-E358 HydrophobicContact CE2-CB 3.96Å; Y294-E358 HydrophobicContact CE2-CG 4.14Å; Y294-D359 PolarHBondContact N-O 3.49Å; Y294-V360 CarbonylContact O-C 3.54Å; Y294-V360 WeakPolarHBondContact O-CA 3.43Å; Y294-I361 PolarHBondContact O-N 3.25Å
295T92.9Very high91.1Very high43 Ų4365.7 Ų65.726%0.26434%0.342SS..EExtended strand (participates in β ladder)trans-82.1137.8178.162.20000110.4P302 D303 V308 F320 I324T295-P302 WeakPolarHBondContact O-CA 3.36Å; T295-D303 PolarHBondContact O-N 3.26Å; T295-V308 HydrophobicContact CG2-CG2 4.07Å; T295-F320 HydrophobicContact CG2-CE2 4.37Å; T295-F320 HydrophobicContact CG2-CZ 3.71Å; T295-I324 HydrophobicContact CG2-CD1 4.47Å
296K93.5Very high90.7Very high49 Ų4968 Ų6821%0.21336%0.36CS..  trans-127107.5173.5-175.3-170.9-178.4-176.80110.4Q300 P302 W338 V360 I361 Q362K296-Q300 WeakPolarHBondContact CE-O 3.2Å; K296-P302 HydrophobicContact CB-CB 4.27Å; K296-P302 HydrophobicContact CB-CG 4.23Å; K296-P302 HydrophobicContact CD-CG 4.02Å; K296-P302 HydrophobicContact CG-CB 4.47Å; K296-P302 HydrophobicContact CG-CG 4Å; K296-W338 HydrophobicContact CD-CE3 4.23Å; K296-W338 HydrophobicContact CD-CH2 3.75Å; K296-W338 HydrophobicContact CD-CZ2 4.24Å; K296-W338 HydrophobicContact CD-CZ3 3.73Å; K296-W338 VanDerWaalsContact NZ-CZ2 3.3Å; K296-V360 HydrophobicContact CB-CG1 3.61Å; K296-V360 HydrophobicContact CD-CG1 4.14Å; K296-V360 HydrophobicContact CG-CG1 4.42Å; K296-I361 PolarHBondContact N-O 2.79Å; K296-Q362 HydrophobicContact CB-CB 4.41Å; K296-Q362 WeakPolarHBondContact O-CA 3.39Å; K296-Q362 VanDerWaalsContact O-CB 3.23Å; K296-Q362 WeakPolarHBondContact O-CB 3.49Å; K296-Q362 VanDerWaalsContact O-CG 3.23Å; K296-Q362 WeakPolarHBondContact O-CG 3.42Å
297P91Very high90.6Very high56 Ų5664.4 Ų64.436%0.36434%0.342SS..  trans-67.8152.5171.7-19.232.6000112G299 Q300P297-G299 PolarHBondContact O-N 2.85Å; P297-Q300 HydrophobicContact CB-CB 4.14Å; P297-Q300 HydrophobicContact CB-CG 4.37Å; P297-Q300 HydrophobicContact CG-CB 4.4Å; P297-Q300 PolarHBondContact O-N 2.9Å; P297-Q300 VanDerWaalsContact O-N 3.13Å
298K89.1Confident90.4Very high186 Ų18663 Ų6381%0.80934%0.339SS*.THydrogen-bonded Turntrans-62.4122.8178.2-174.1-179.1178.5-175.20110.1Q300K298-Q300 VanDerWaalsContact C-N 3.31Å
299G88.1Confident90.4Very high81 Ų8162.5 Ų62.584%0.83534%0.337SS*.THydrogen-bonded Turntrans82.44.2179.100000114.7P297P297-G299 PolarHBondContact O-N 2.85Å
300Q91.5Very high90.4Very high125 Ų12557.1 Ų57.158%0.58431%0.313SS*.SBendtrans-117.4163.2175.7-63.4-178.2500111K296 P297 K298K296-Q300 WeakPolarHBondContact CE-O 3.2Å; P297-Q300 HydrophobicContact CB-CB 4.14Å; P297-Q300 HydrophobicContact CB-CG 4.37Å; P297-Q300 HydrophobicContact CG-CB 4.4Å; P297-Q300 PolarHBondContact O-N 2.9Å; P297-Q300 VanDerWaalsContact O-N 3.13Å; K298-Q300 VanDerWaalsContact C-N 3.31Å
301L90.1Very high90.1Very high152 Ų15258.7 Ų58.780%0.79632%0.324SS*.  trans-72.5154.1170.5-65.7174.2000110.1
302P89.9Confident89.5Confident24 Ų2462.7 Ų62.716%0.15635%0.345CS..  trans-60.2140.7172.6-1931.7000111.4T295 K296 Y304 V360T295-P302 WeakPolarHBondContact O-CA 3.36Å; K296-P302 HydrophobicContact CB-CB 4.27Å; K296-P302 HydrophobicContact CB-CG 4.23Å; K296-P302 HydrophobicContact CD-CG 4.02Å; K296-P302 HydrophobicContact CG-CB 4.47Å; K296-P302 HydrophobicContact CG-CG 4Å; P302-Y304 HydrophobicContact CB-CD2 4.5Å; P302-Y304 HydrophobicContact CB-CE1 4.32Å; P302-Y304 HydrophobicContact CB-CE2 3.89Å; P302-Y304 HydrophobicContact CG-CE2 4.27Å; P302-V360 HydrophobicContact CB-CG1 3.85Å; P302-V360 HydrophobicContact CB-CG2 4.39Å; P302-V360 HydrophobicContact CG-CG1 3.78Å; P302-V360 HydrophobicContact CG-CG2 4.43Å
303D88.3Confident88.9Confident60 Ų6064.9 Ų64.932%0.32137%0.374SS..EExtended strand (participates in β ladder)trans-86.3110.4170.6-179.610.7000109.9Y294 T295 T305Y294-D303 VanDerWaalsContact CD1-O 3.3Å; Y294-D303 WeakPolarHBondContact CD1-O 3.49Å; T295-D303 PolarHBondContact O-N 3.26Å; D303-T305 WeakPolarHBondContact OD1-CB 3.32Å; D303-T305 PolarHBondContact OD1-N 3.36Å; D303-T305 PolarHBondContact OD1-OG1 3.19Å; D303-T305 PolarHBondContact OD2-OG1 2.99Å
304Y86.9Confident88.5Confident140 Ų14072.9 Ų72.955%0.54940%0.404SS..EExtended strand (participates in β ladder)trans-89.9-6.9177.6-64.2-73000113.9Y294 P302 V360Y294-Y304 AromaticContact CD1-CD1 3.88Å; Y294-Y304 HydrophobicContact CD1-CD1 3.88Å; Y294-Y304 AromaticContact CD2-CD1 3.91Å; Y294-Y304 HydrophobicContact CD2-CD1 3.91Å; Y294-Y304 HydrophobicContact CD2-CE1 4.08Å; Y294-Y304 HydrophobicContact CE1-CD1 4.01Å; Y294-Y304 WeakPolarHBondContact CE1-O 3.41Å; Y294-Y304 HydrophobicContact CE2-CD1 4.07Å; Y294-Y304 HydrophobicContact CE2-CE1 4.48Å; Y294-Y304 AromaticContact CG-CD1 3.79Å; Y294-Y304 HydrophobicContact CG-CD1 3.79Å; Y294-Y304 HydrophobicContact CG-CE1 4.17Å; P302-Y304 HydrophobicContact CB-CD2 4.5Å; P302-Y304 HydrophobicContact CB-CE1 4.32Å; P302-Y304 HydrophobicContact CB-CE2 3.89Å; P302-Y304 HydrophobicContact CG-CE2 4.27Å; Y304-V360 HydrophobicContact CE1-CG2 4.4Å
305T84.1Confident88.3Confident104 Ų10472.7 Ų72.764%0.63841%0.405SS*.EExtended strand (participates in β ladder)trans-80.2-35.7-176.668.80000112.2D303 P307D303-T305 WeakPolarHBondContact OD1-CB 3.32Å; D303-T305 PolarHBondContact OD1-N 3.36Å; D303-T305 PolarHBondContact OD1-OG1 3.19Å; D303-T305 PolarHBondContact OD2-OG1 2.99Å; T305-P307 WeakPolarHBondContact O-CD 2.84Å
306S83.9Confident88.3Confident63 Ų6371.6 Ų71.644%0.44140%0.4SS..EExtended strand (participates in β ladder)trans-126.875.3-172-63.20000111.1
307P90.9Very high88.3Confident16 Ų1669.3 Ų69.310%0.10439%0.389CS..EExtended strand (participates in β ladder)trans-65.5146.9174.626.3-32000111.2R292 Y294 T305 V309R292-P307 HydrophobicContact CB-CB 3.87Å; R292-P307 HydrophobicContact CB-CG 4.45Å; R292-P307 HydrophobicContact CG-CB 4.31Å; R292-P307 HydrophobicContact CG-CG 4.4Å; Y294-P307 HydrophobicContact CD1-CB 3.88Å; Y294-P307 HydrophobicContact CE1-CB 3.61Å; Y294-P307 HydrophobicContact CE1-CG 4.05Å; T305-P307 WeakPolarHBondContact O-CD 2.84Å; P307-V309 HydrophobicContact CG-CG2 4.44Å
308V90.8Very high88.4Confident26 Ų2669.5 Ų69.516%0.15839%0.385CS..EExtended strand (participates in β ladder)trans-84.6118.5164.2-178.40000107.4I293 T295 F320 K323 I324I293-V308 PolarHBondContact N-O 3.1Å; I293-V308 PolarHBondContact O-N 3.38Å; T295-V308 HydrophobicContact CG2-CG2 4.07Å; V308-F320 HydrophobicContact CB-CD2 4.02Å; V308-F320 HydrophobicContact CB-CE2 3.59Å; V308-F320 HydrophobicContact CG1-CD2 3.89Å; V308-F320 HydrophobicContact CG1-CE2 3.94Å; V308-F320 HydrophobicContact CG2-CE2 3.74Å; V308-F320 HydrophobicContact CG2-CZ 4.25Å; V308-K323 HydrophobicContact CG1-CB 4.34Å; V308-K323 HydrophobicContact CG1-CG 3.72Å; V308-I324 HydrophobicContact CG2-CD1 4.33Å; V308-I324 HydrophobicContact CG2-CG1 4.25Å
309V91.8Very high88.5Confident2 Ų262.7 Ų62.71%0.01236%0.358CS..EExtended strand (participates in β ladder)trans-99.4127.1-175.6-177.90000110.1D63 A110 L290 V291 R292 P307D63-V309 HydrophobicContact CB-CB 3.88Å; D63-V309 HydrophobicContact CB-CG1 3.81Å; A110-V309 HydrophobicContact CB-CB 4.33Å; A110-V309 HydrophobicContact CB-CG1 4.05Å; A110-V309 HydrophobicContact CB-CG2 3.63Å; L290-V309 HydrophobicContact CB-CG1 3.76Å; L290-V309 HydrophobicContact CD1-CG1 4.03Å; L290-V309 HydrophobicContact CD2-CG1 4.18Å; L290-V309 HydrophobicContact CG-CG1 4.19Å; V291-V309 WeakPolarHBondContact O-CA 3.46Å; R292-V309 HydrophobicContact CG-CG2 4.19Å; P307-V309 HydrophobicContact CG-CG2 4.44Å
310L90.2Very high88.6Confident4 Ų459 Ų592%0.02132%0.319CS..EExtended strand (participates in β ladder)trans-112.4144.7177-61.7-176.5000110.9V291 I293 T315 D319 F320 K323 M355V291-L310 PolarHBondContact N-O 2.62Å; V291-L310 PolarHBondContact O-N 2.71Å; I293-L310 HydrophobicContact CD1-CD1 3.33Å; I293-L310 HydrophobicContact CD1-CG 3.93Å; L310-T315 HydrophobicContact CB-CG2 4.4Å; L310-D319 HydrophobicContact CD1-CB 4.46Å; L310-F320 HydrophobicContact CD1-CB 4.06Å; L310-K323 HydrophobicContact CD2-CB 3.96Å; L310-K323 HydrophobicContact CD2-CG 4.08Å; L310-M355 HydrophobicContact CD1-CE 4.27Å
311P85.8Confident88.6Confident41 Ų4153 Ų5327%0.26629%0.291SS..  trans-78.2155.3174.732.9-32.7000111.6G313 R314P311-G313 PolarHBondContact O-N 3.14Å; P311-R314 HydrophobicContact CG-CB 4.21Å; P311-R314 PolarHBondContact O-N 3.48Å; P311-R314 VanDerWaalsContact O-N 3.12Å
312D79.6Confident88.6Confident102 Ų10249.4 Ų49.455%0.54527%0.272SS..THydrogen-bonded Turntrans-52.5137.4174.5-167.617000111.9K289 R314K289-D312 HydrophobicContact CB-CB 3.92Å; K289-D312 WeakPolarHBondContact CD-OD2 3.35Å; D312-R314 VanDerWaalsContact C-N 3.27Å; D312-R314 PolarHBondContact O-N 2.97Å
313G79.9Confident88.5Confident68 Ų6853 Ų5370%0.70129%0.285SS*.THydrogen-bonded Turntrans77.4-7.5-176.500000116.6P311P311-G313 PolarHBondContact O-N 3.14Å
314R86.1Confident88.4Confident168 Ų16853.8 Ų53.863%0.63429%0.289SS*.  trans-125.458.9171.3-64.1-171.2-174.1179.70.7111.2P311 D312 D319P311-R314 HydrophobicContact CG-CB 4.21Å; P311-R314 PolarHBondContact O-N 3.48Å; P311-R314 VanDerWaalsContact O-N 3.12Å; D312-R314 VanDerWaalsContact C-N 3.27Å; D312-R314 PolarHBondContact O-N 2.97Å; R314-D319 VanDerWaalsContact CA-OD2 3.31Å; R314-D319 WeakPolarHBondContact CA-OD2 3.46Å; R314-D319 HydrophobicContact CB-CB 4.37Å; R314-D319 WeakPolarHBondContact O-CB 3.22Å
315T90.3Very high88.5Confident16 Ų1651.9 Ų51.910%0.09829%0.285CS..  trans-110.118.8-173.856.20000112.1V291 L310 V354 M355V291-T315 HydrophobicContact CB-CG2 3.88Å; V291-T315 HydrophobicContact CG1-CG2 4.25Å; V291-T315 HydrophobicContact CG2-CG2 3.7Å; L310-T315 HydrophobicContact CB-CG2 4.4Å; T315-V354 VanDerWaalsContact OG1-CG1 3.27Å; T315-V354 WeakPolarHBondContact OG1-CG1 3.29Å; T315-M355 WeakPolarHBondContact O-CE 3.41Å; T315-M355 PolarHBondContact O-N 2.71Å
316S93.4Very high88.6Confident21 Ų2154.7 Ų54.715%0.14729%0.288CS..BIsolated β-bridgetrans-74.6158.8178.171.30000112.3E318 D319 F320 H353 M355S316-E318 PolarHBondContact O-N 3.44Å; S316-D319 WeakPolarHBondContact CB-OD2 3.45Å; S316-D319 PolarHBondContact N-OD2 3.36Å; S316-D319 WeakPolarHBondContact O-CB 3.24Å; S316-D319 PolarHBondContact O-N 2.84Å; S316-D319 VanDerWaalsContact O-N 3.1Å; S316-D319 PolarHBondContact OG-N 2.81Å; S316-D319 PolarHBondContact OG-OD2 2.94Å; S316-F320 PolarHBondContact O-N 2.88Å; S316-H353 CarbonylContact C-O 3.56Å; S316-H353 VanDerWaalsContact CA-O 3.28Å; S316-H353 WeakPolarHBondContact CA-O 3.46Å; S316-M355 VanDerWaalsContact C-CE 3.48Å; S316-M355 VanDerWaalsContact O-CE 3.32Å; S316-M355 WeakPolarHBondContact O-CE 3.45Å
317V92.7Very high88.8Confident0 Ų055.5 Ų55.50%029%0.287CS..Hα-helixtrans-60.6-31.5172.51750000111.2C321 F332 A335 V349 K351 H353 M355 I361 L363V317-C321 PolarHBondContact O-N 2.99Å; V317-C321 PolarHBondContact O-SG 2.97Å; V317-F332 HydrophobicContact CG1-CE2 3.65Å; V317-F332 HydrophobicContact CG1-CZ 3.86Å; V317-A335 HydrophobicContact CG1-CB 4.08Å; V317-V349 HydrophobicContact CG2-CG2 4.11Å; V317-K351 PolarHBondContact N-O 3.35Å; V317-H353 HydrophobicContact CG2-CB 4.07Å; V317-H353 PolarHBondContact N-O 2.84Å; V317-M355 HydrophobicContact CB-CE 4.34Å; V317-M355 HydrophobicContact CG2-CE 3.91Å; V317-M355 HydrophobicContact CG2-CG 4.22Å; V317-M355 HydrophobicContact CG2-SD 3.95Å; V317-I361 HydrophobicContact CG1-CD1 3.98Å; V317-I361 HydrophobicContact CG2-CD1 4.11Å; V317-L363 HydrophobicContact CG1-CD2 4.35Å
318E92.6Very high88.6Confident60 Ų6056.3 Ų56.328%0.2829%0.291SS..Hα-helixtrans-62.1-48.6171.2179.8162.9-179.700111.9S316 F320 C321 L322 I329 K351S316-E318 PolarHBondContact O-N 3.44Å; E318-F320 VanDerWaalsContact C-N 3.29Å; E318-F320 PolarHBondContact O-N 3.49Å; E318-C321 PolarHBondContact O-N 2.9Å; E318-C321 VanDerWaalsContact O-N 3.16Å; E318-L322 HydrophobicContact CG-CD1 4.07Å; E318-L322 HydrophobicContact CG-CG 4.49Å; E318-L322 WeakPolarHBondContact O-CG 3.36Å; E318-L322 PolarHBondContact O-N 2.95Å; E318-I329 HydrophobicContact CB-CD1 4.12Å; E318-I329 HydrophobicContact CG-CD1 3.82Å; E318-I329 HydrophobicContact CG-CG1 4.38Å; E318-K351 HydrophobicContact CB-CB 4.39Å; E318-K351 PolarHBondContact N-O 2.98Å; E318-K351 IonicContact OE2-NZ 3.64Å
319D91.1Very high88.5Confident44 Ų4457.3 Ų57.324%0.23530%0.295CS..Hα-helixtrans-59.7-41.2177.5-66.5-55.1000111.7L310 R314 S316 L322 K323L310-D319 HydrophobicContact CD1-CB 4.46Å; R314-D319 VanDerWaalsContact CA-OD2 3.31Å; R314-D319 WeakPolarHBondContact CA-OD2 3.46Å; R314-D319 HydrophobicContact CB-CB 4.37Å; R314-D319 WeakPolarHBondContact O-CB 3.22Å; S316-D319 WeakPolarHBondContact CB-OD2 3.45Å; S316-D319 PolarHBondContact N-OD2 3.36Å; S316-D319 WeakPolarHBondContact O-CB 3.24Å; S316-D319 PolarHBondContact O-N 2.84Å; S316-D319 VanDerWaalsContact O-N 3.1Å; S316-D319 PolarHBondContact OG-N 2.81Å; S316-D319 PolarHBondContact OG-OD2 2.94Å; D319-L322 PolarHBondContact O-N 3.31Å; D319-K323 WeakPolarHBondContact O-CB 3.33Å; D319-K323 PolarHBondContact O-N 3.49Å
320F91.8Very high88.4Confident2 Ų264.4 Ų64.41%0.00933%0.325CS..Hα-helixtrans-59.3-47.8173.9176.9-93.8000112.4I293 T295 V308 L310 S316 E318 L322 K323 I324 M355 I361 L363I293-F320 HydrophobicContact CB-CD2 4.01Å; I293-F320 HydrophobicContact CB-CE2 3.85Å; I293-F320 HydrophobicContact CD1-CD2 3.86Å; I293-F320 HydrophobicContact CG2-CD2 3.8Å; I293-F320 HydrophobicContact CG2-CE2 3.43Å; I293-F320 VanDerWaalsContact CG2-CE2 3.43Å; I293-F320 HydrophobicContact CG2-CZ 4.17Å; T295-F320 HydrophobicContact CG2-CE2 4.37Å; T295-F320 HydrophobicContact CG2-CZ 3.71Å; V308-F320 HydrophobicContact CB-CD2 4.02Å; V308-F320 HydrophobicContact CB-CE2 3.59Å; V308-F320 HydrophobicContact CG1-CD2 3.89Å; V308-F320 HydrophobicContact CG1-CE2 3.94Å; V308-F320 HydrophobicContact CG2-CE2 3.74Å; V308-F320 HydrophobicContact CG2-CZ 4.25Å; L310-F320 HydrophobicContact CD1-CB 4.06Å; S316-F320 PolarHBondContact O-N 2.88Å; E318-F320 VanDerWaalsContact C-N 3.29Å; E318-F320 PolarHBondContact O-N 3.49Å; F320-L322 VanDerWaalsContact C-N 3.32Å; F320-L322 PolarHBondContact O-N 3.46Å; F320-K323 PolarHBondContact O-N 3.41Å; F320-I324 HydrophobicContact CD1-CD1 4.02Å; F320-I324 HydrophobicContact CE1-CD1 3.38Å; F320-I324 HydrophobicContact CE1-CG1 4.5Å; F320-I324 HydrophobicContact CE2-CD1 4.2Å; F320-I324 HydrophobicContact CZ-CD1 3.5Å; F320-I324 VanDerWaalsContact CZ-CD1 3.5Å; F320-I324 PolarHBondContact O-N 3.17Å; F320-I324 VanDerWaalsContact O-N 3.13Å; F320-M355 HydrophobicContact CB-CE 3.66Å; F320-M355 HydrophobicContact CG-CE 4.27Å; F320-I361 HydrophobicContact CD1-CD1 4.11Å; F320-I361 HydrophobicContact CD1-CG2 4.3Å; F320-I361 HydrophobicContact CD2-CG2 4.49Å; F320-I361 HydrophobicContact CE1-CD1 4.21Å; F320-I361 HydrophobicContact CE1-CG2 3.54Å; F320-I361 HydrophobicContact CE2-CG2 3.75Å; F320-I361 HydrophobicContact CZ-CG2 3.21Å; F320-L363 HydrophobicContact CD1-CD1 4.31Å; F320-L363 HydrophobicContact CE1-CD1 3.91Å; F320-L363 HydrophobicContact CE1-CD2 4.43Å; F320-L363 HydrophobicContact CE1-CG 4.22Å
321C91Very high88.4Confident1 Ų168.4 Ų68.41%0.00734%0.344CS..Hα-helixtrans-62-42.1177.7-68.60000111.4V317 E318 K323 I324 H325 L328 I329V317-C321 PolarHBondContact O-N 2.99Å; V317-C321 PolarHBondContact O-SG 2.97Å; E318-C321 PolarHBondContact O-N 2.9Å; E318-C321 VanDerWaalsContact O-N 3.16Å; C321-K323 VanDerWaalsContact C-N 3.34Å; C321-I324 PolarHBondContact O-N 3.4Å; C321-H325 CarbonylContact O-C 3.48Å; C321-H325 PolarHBondContact O-N 3.49Å; C321-L328 HydrophobicContact CB-CB 4.07Å; C321-I329 HydrophobicContact CB-CD1 4.36Å
322L89.2Confident88.7Confident76 Ų7667.6 Ų67.640%0.39834%0.336SS..Hα-helixtrans-65.3-36.1178-71.5173.3000112.6E318 D319 F320E318-L322 HydrophobicContact CG-CD1 4.07Å; E318-L322 HydrophobicContact CG-CG 4.49Å; E318-L322 WeakPolarHBondContact O-CG 3.36Å; E318-L322 PolarHBondContact O-N 2.95Å; D319-L322 PolarHBondContact O-N 3.31Å; F320-L322 VanDerWaalsContact C-N 3.32Å; F320-L322 PolarHBondContact O-N 3.46Å
323K87.5Confident89.3Confident98 Ų9868.1 Ų68.143%0.42633%0.334SS..Hα-helixtrans-66.7-38.2176.4-179.573.6175.6-160.90111.9D63 V308 L310 D319 F320 C321D63-K323 IonicContact OD1-NZ 3.43Å; D63-K323 PolarHBondContact OD1-NZ 3.4Å; V308-K323 HydrophobicContact CG1-CB 4.34Å; V308-K323 HydrophobicContact CG1-CG 3.72Å; L310-K323 HydrophobicContact CD2-CB 3.96Å; L310-K323 HydrophobicContact CD2-CG 4.08Å; D319-K323 WeakPolarHBondContact O-CB 3.33Å; D319-K323 PolarHBondContact O-N 3.49Å; F320-K323 PolarHBondContact O-N 3.41Å; C321-K323 VanDerWaalsContact C-N 3.34Å
324I87.9Confident90Very high77 Ų7767.7 Ų67.740%0.39531%0.311SS..Hα-helixtrans-72.6-62.8175.8-65.1176.6000110.2T295 V308 F320 C321 L328T295-I324 HydrophobicContact CG2-CD1 4.47Å; V308-I324 HydrophobicContact CG2-CD1 4.33Å; V308-I324 HydrophobicContact CG2-CG1 4.25Å; F320-I324 HydrophobicContact CD1-CD1 4.02Å; F320-I324 HydrophobicContact CE1-CD1 3.38Å; F320-I324 HydrophobicContact CE1-CG1 4.5Å; F320-I324 HydrophobicContact CE2-CD1 4.2Å; F320-I324 HydrophobicContact CZ-CD1 3.5Å; F320-I324 VanDerWaalsContact CZ-CD1 3.5Å; F320-I324 PolarHBondContact O-N 3.17Å; F320-I324 VanDerWaalsContact O-N 3.13Å; C321-I324 PolarHBondContact O-N 3.4Å; I324-L328 HydrophobicContact CB-CD2 4.42Å; I324-L328 HydrophobicContact CG2-CD1 4.13Å; I324-L328 HydrophobicContact CG2-CD2 4.11Å
325H88Confident90.4Very high101 Ų10159.7 Ų59.747%0.46828%0.281SS..  trans-166133.2178.8-173.7-92.2000111.3C321 N327 L328C321-H325 CarbonylContact O-C 3.48Å; C321-H325 PolarHBondContact O-N 3.49Å; H325-N327 PolarHBondContact CE1-ND2 2.85Å; H325-N327 WeakPolarHBondContact ND1-CB 3.39Å; H325-N327 PolarHBondContact ND1-N 3.15Å; H325-N327 PolarHBondContact O-N 3.08Å; H325-L328 HydrophobicContact CB-CD1 3.57Å; H325-L328 WeakPolarHBondContact O-CB 3.46Å; H325-L328 PolarHBondContact O-N 3.13Å
326K86.6Confident90.6Very high162 Ų16260.8 Ų60.870%0.70429%0.286SS*.THydrogen-bonded Turntrans-55.2-25.8-174.7-64.3-178-178.6178.70115.1I329K326-I329 WeakPolarHBondContact O-CG2 3.33Å
327N88Confident90.7Very high80 Ų8059.8 Ų59.843%0.42828%0.279SS..THydrogen-bonded Turntrans-78.1-17.9178.3-68.5-17000114H325 I329 K330H325-N327 PolarHBondContact CE1-ND2 2.85Å; H325-N327 WeakPolarHBondContact ND1-CB 3.39Å; H325-N327 PolarHBondContact ND1-N 3.15Å; H325-N327 PolarHBondContact O-N 3.08Å; N327-I329 PolarHBondContact O-N 3.18Å; N327-K330 WeakPolarHBondContact O-CB 3.32Å; N327-K330 PolarHBondContact O-N 2.97Å; N327-K330 VanDerWaalsContact O-N 3.1Å
328L87.6Confident90.8Very high33 Ų3362.3 Ų62.317%0.17329%0.289CS..Hα-helixtrans-61-34-178.8-9382.7000112.1C321 I324 H325 K330 E331 F332 L363C321-L328 HydrophobicContact CB-CB 4.07Å; I324-L328 HydrophobicContact CB-CD2 4.42Å; I324-L328 HydrophobicContact CG2-CD1 4.13Å; I324-L328 HydrophobicContact CG2-CD2 4.11Å; H325-L328 HydrophobicContact CB-CD1 3.57Å; H325-L328 WeakPolarHBondContact O-CB 3.46Å; H325-L328 PolarHBondContact O-N 3.13Å; L328-K330 PolarHBondContact O-N 3.42Å; L328-E331 PolarHBondContact O-N 3.35Å; L328-F332 PolarHBondContact O-N 3.1Å; L328-L363 HydrophobicContact CD2-CD1 3.47Å; L328-L363 VanDerWaalsContact CD2-CD1 3.47Å
329I88.5Confident90.8Very high48 Ų4860.7 Ų60.725%0.24629%0.288CS..Hα-helixtrans-65.2-29.7179.8-159.364000112.4E318 C321 K326 N327 F332E318-I329 HydrophobicContact CB-CD1 4.12Å; E318-I329 HydrophobicContact CG-CD1 3.82Å; E318-I329 HydrophobicContact CG-CG1 4.38Å; C321-I329 HydrophobicContact CB-CD1 4.36Å; K326-I329 WeakPolarHBondContact O-CG2 3.33Å; N327-I329 PolarHBondContact O-N 3.18Å; I329-F332 WeakPolarHBondContact O-CB 3.32Å
330K88.5Confident90.9Very high150 Ų15062.3 Ų62.365%0.65230%0.303SS*.Hα-helixtrans-72.5-37.3179.3-63.1-178.3179.5175.80111.6N327 L328N327-K330 WeakPolarHBondContact O-CB 3.32Å; N327-K330 PolarHBondContact O-N 2.97Å; N327-K330 VanDerWaalsContact O-N 3.1Å; L328-K330 PolarHBondContact O-N 3.42Å
331E89.8Confident91Very high88 Ų8863.3 Ų63.341%0.41131%0.31SS..Hα-helixtrans-86.7-6.3179.3-65.5177.6-178.200112.9L328 K333 K365 K366L328-E331 PolarHBondContact O-N 3.35Å; E331-K333 PolarHBondContact O-N 3.1Å; E331-K365 HydrophobicContact CB-CB 4.47Å; E331-K365 HydrophobicContact CB-CD 4.44Å; E331-K365 HydrophobicContact CB-CG 4.35Å; E331-K365 CarbonylContact O-C 3.6Å; E331-K365 VanDerWaalsContact O-CA 3.22Å; E331-K365 WeakPolarHBondContact O-CA 3.31Å; E331-K365 WeakPolarHBondContact OE2-CD 3.38Å; E331-K365 WeakPolarHBondContact OE2-CE 3.3Å; E331-K365 IonicContact OE2-NZ 2.77Å; E331-K365 PolarHBondContact OE2-NZ 3Å; E331-K366 PolarHBondContact O-N 2.74Å
332F92.2Very high91.1Very high24 Ų2463.9 Ų63.911%0.10531%0.313CS..EExtended strand (participates in β ladder)trans-65127.6-175.3-178.1-95000112.3V317 L328 I329 Y334 A335 K351 L363 K366V317-F332 HydrophobicContact CG1-CE2 3.65Å; V317-F332 HydrophobicContact CG1-CZ 3.86Å; L328-F332 PolarHBondContact O-N 3.1Å; I329-F332 WeakPolarHBondContact O-CB 3.32Å; F332-Y334 VanDerWaalsContact CZ-C 3.48Å; F332-A335 HydrophobicContact CE2-CB 3.97Å; F332-A335 HydrophobicContact CZ-CB 4.19Å; F332-K351 HydrophobicContact CD1-CB 4.41Å; F332-K351 HydrophobicContact CE1-CB 4.03Å; F332-L363 HydrophobicContact CD2-CD2 4.2Å; F332-L363 HydrophobicContact CE2-CD2 3.92Å; F332-K366 WeakPolarHBondContact O-CE 3.48Å
333K92.4Very high91.3Very high113 Ų11369.3 Ų69.349%0.49133%0.334SS..EExtended strand (participates in β ladder)trans-105.5-53.5172.5-160.8-175.7-164144.20111.3E331 V364 K366E331-K333 PolarHBondContact O-N 3.1Å; K333-V364 VanDerWaalsContact CB-O 3.25Å; K333-V364 WeakPolarHBondContact CB-O 3.17Å; K333-V364 HydrophobicContact CD-CG1 4.44Å; K333-V364 PolarHBondContact N-O 3.1Å; K333-K366 HydrophobicContact CB-CG 3.95Å; K333-K366 HydrophobicContact CG-CG 4.16Å; K333-K366 PolarHBondContact NZ-OXT 2.83Å
334Y94.1Very high91.5Very high59 Ų5971.2 Ų71.223%0.23134%0.344CS..EExtended strand (participates in β ladder)trans-165.9166.2174.159.9-91.8000109.4F332 L336 K348 V364F332-Y334 VanDerWaalsContact CZ-C 3.48Å; Y334-L336 HydrophobicContact CD2-CD2 4.45Å; Y334-L336 HydrophobicContact CD2-CG 4.41Å; Y334-L336 HydrophobicContact CE2-CD2 4.11Å; Y334-L336 HydrophobicContact CE2-CG 4.05Å; Y334-K348 HydrophobicContact CD1-CD 4.38Å; Y334-K348 VanDerWaalsContact CD1-CE 3.48Å; Y334-K348 HydrophobicContact CD2-CD 3.9Å; Y334-K348 HydrophobicContact CD2-CG 3.66Å; Y334-K348 HydrophobicContact CE2-CD 4.25Å; Y334-K348 HydrophobicContact CE2-CG 4.34Å; Y334-K348 HydrophobicContact CG-CD 3.97Å; Y334-K348 HydrophobicContact CG-CG 3.93Å; Y334-V364 HydrophobicContact CD1-CB 4.25Å; Y334-V364 HydrophobicContact CD1-CG1 4.35Å; Y334-V364 HydrophobicContact CD2-CB 4.07Å; Y334-V364 HydrophobicContact CD2-CG2 4.02Å; Y334-V364 HydrophobicContact CE1-CB 4.02Å; Y334-V364 HydrophobicContact CE1-CG1 3.75Å; Y334-V364 HydrophobicContact CE1-CG2 4.48Å; Y334-V364 HydrophobicContact CE2-CB 3.83Å; Y334-V364 HydrophobicContact CE2-CG1 4.27Å; Y334-V364 HydrophobicContact CE2-CG2 3.49Å; Y334-V364 VanDerWaalsContact CE2-CG2 3.49Å; Y334-V364 HydrophobicContact CG-CB 4.28Å; Y334-V364 PolarHBondContact N-O 3.15Å; Y334-V364 WeakPolarHBondContact O-CB 3.19Å; Y334-V364 PolarHBondContact O-N 2.78Å
335A94.7Very high91.6Very high0 Ų072.8 Ų72.80%035%0.353CS..EExtended strand (participates in β ladder)trans-113148.8169.100000110.6V317 F332 V337 K348 V349 I361 Q362 L363V317-A335 HydrophobicContact CG1-CB 4.08Å; F332-A335 HydrophobicContact CE2-CB 3.97Å; F332-A335 HydrophobicContact CZ-CB 4.19Å; A335-V337 HydrophobicContact CB-CG2 4.47Å; A335-K348 WeakPolarHBondContact O-CA 3.36Å; A335-V349 HydrophobicContact CB-CG2 3.77Å; A335-V349 PolarHBondContact N-O 3.35Å; A335-V349 VanDerWaalsContact N-O 3.07Å; A335-V349 PolarHBondContact O-N 3.21Å; A335-I361 HydrophobicContact CB-CD1 3.79Å; A335-I361 HydrophobicContact CB-CG1 3.91Å; A335-Q362 WeakPolarHBondContact CA-O 3.34Å; A335-L363 HydrophobicContact CB-CD2 4Å
336L94.8Very high91.7Very high39 Ų3971 Ų7120%0.20435%0.351CS..EExtended strand (participates in β ladder)trans-102124.2163.1-65.6171.9000107.2Y334 W338 P346 Q347 K348 I361 Q362Y334-L336 HydrophobicContact CD2-CD2 4.45Å; Y334-L336 HydrophobicContact CD2-CG 4.41Å; Y334-L336 HydrophobicContact CE2-CD2 4.11Å; Y334-L336 HydrophobicContact CE2-CG 4.05Å; L336-W338 HydrophobicContact CB-CH2 3.81Å; L336-W338 HydrophobicContact CB-CZ3 3.97Å; L336-W338 HydrophobicContact CD1-CH2 4.42Å; L336-W338 WeakPolarHBondContact O-CZ3 3.47Å; L336-P346 HydrophobicContact CB-CB 4.47Å; L336-Q347 WeakPolarHBondContact CA-O 3.42Å; L336-K348 HydrophobicContact CD2-CB 4.27Å; L336-I361 WeakPolarHBondContact O-CA 3.44Å; L336-Q362 HydrophobicContact CB-CB 4.34Å; L336-Q362 PolarHBondContact N-O 3.37Å; L336-Q362 PolarHBondContact O-N 3.19Å
337V95.9Very high92.1Very high0 Ų066.5 Ų66.50%033%0.332CS..EExtended strand (participates in β ladder)trans-117139.9179.7175.20000109.4A335 V342 P346 Q347 V349 D359 V360 I361A335-V337 HydrophobicContact CB-CG2 4.47Å; V337-V342 HydrophobicContact CB-CG1 3.87Å; V337-V342 HydrophobicContact CG1-CG1 3.82Å; V337-V342 HydrophobicContact CG1-CG2 4.31Å; V337-P346 VanDerWaalsContact O-CA 3.3Å; V337-P346 WeakPolarHBondContact O-CA 3.49Å; V337-Q347 PolarHBondContact N-O 3.31Å; V337-Q347 PolarHBondContact O-N 3.46Å; V337-V349 HydrophobicContact CB-CG2 4.37Å; V337-V349 HydrophobicContact CG2-CG2 3.56Å; V337-D359 HydrophobicContact CG1-CB 4.33Å; V337-V360 WeakPolarHBondContact CA-O 3.34Å; V337-I361 HydrophobicContact CG2-CB 4.42Å; V337-I361 HydrophobicContact CG2-CD1 4.28Å; V337-I361 HydrophobicContact CG2-CG1 4.04Å
338W95Very high92.5Very high54 Ų5469.1 Ų69.121%0.20534%0.34CS..EExtended strand (participates in β ladder)trans-121131.4167.9-58.1-104000107.7K296 L336 N345 P346 V360 Q362K296-W338 HydrophobicContact CD-CE3 4.23Å; K296-W338 HydrophobicContact CD-CH2 3.75Å; K296-W338 HydrophobicContact CD-CZ2 4.24Å; K296-W338 HydrophobicContact CD-CZ3 3.73Å; K296-W338 VanDerWaalsContact NZ-CZ2 3.3Å; L336-W338 HydrophobicContact CB-CH2 3.81Å; L336-W338 HydrophobicContact CB-CZ3 3.97Å; L336-W338 HydrophobicContact CD1-CH2 4.42Å; L336-W338 WeakPolarHBondContact O-CZ3 3.47Å; W338-N345 WeakPolarHBondContact CA-OD1 3.35Å; W338-P346 HydrophobicContact CD2-CB 3.91Å; W338-P346 VanDerWaalsContact CE2-CB 3.43Å; W338-P346 HydrophobicContact CG-CB 4.15Å; W338-P346 HydrophobicContact CH2-CB 4.48Å; W338-P346 HydrophobicContact CZ2-CB 3.75Å; W338-P346 HydrophobicContact CZ2-CG 3.86Å; W338-V360 HydrophobicContact CB-CB 4.25Å; W338-V360 HydrophobicContact CE3-CB 4.24Å; W338-V360 HydrophobicContact CE3-CG1 3.98Å; W338-V360 PolarHBondContact N-O 3.14Å; W338-V360 PolarHBondContact O-N 3.45Å; W338-Q362 HydrophobicContact CH2-CB 3.82Å; W338-Q362 HydrophobicContact CZ3-CB 3.6Å
339G93.2Very high92.8Very high25 Ų2568 Ų6826%0.25833%0.334SS..SBendtrans146.9-163.1176.800000112.7V342 N345 D359G339-V342 WeakPolarHBondContact O-CG2 3.36Å; G339-N345 PolarHBondContact N-OD1 3.46Å; G339-D359 VanDerWaalsContact CA-OD1 3.26Å; G339-D359 WeakPolarHBondContact CA-OD1 3.4Å
340S92.7Very high93.1Very high79 Ų7967.8 Ų67.855%0.55234%0.344SS*.THydrogen-bonded Turntrans-78.8-22.4-173.955.50000113V342 E356 D359S340-V342 PolarHBondContact O-N 2.81Å; S340-E356 WeakPolarHBondContact CB-OE2 3.38Å; S340-E356 WeakPolarHBondContact OG-CB 3.44Å; S340-E356 PolarHBondContact OG-OE2 3.34Å; S340-D359 PolarHBondContact N-OD1 3.46Å
341S92.8Very high93.3Very high22 Ų2264.9 Ų64.915%0.15433%0.331CS..THydrogen-bonded Turntrans-68.7-15.3177.572.40000114H353 V354 D359S341-H353 PolarHBondContact O-CE1 2.82Å; S341-H353 VanDerWaalsContact O-CE1 3.29Å; S341-H353 PolarHBondContact OG-NE2 2.77Å; S341-V354 WeakPolarHBondContact CB-O 3.39Å; S341-D359 WeakPolarHBondContact CB-OD2 3.43Å; S341-D359 PolarHBondContact OG-OD2 3.33Å
342V93.9Very high93.5Very high13 Ų1366.1 Ų66.18%0.07934%0.34CS..SBendtrans-116147.4-177.2-67.10000111.6V337 G339 S340 H344 Q347 V349V337-V342 HydrophobicContact CB-CG1 3.87Å; V337-V342 HydrophobicContact CG1-CG1 3.82Å; V337-V342 HydrophobicContact CG1-CG2 4.31Å; G339-V342 WeakPolarHBondContact O-CG2 3.36Å; S340-V342 PolarHBondContact O-N 2.81Å; V342-H344 WeakPolarHBondContact CG2-O 3.09Å; V342-Q347 HydrophobicContact CB-CB 3.8Å; V342-Q347 HydrophobicContact CG1-CB 3.87Å; V342-Q347 HydrophobicContact CG1-CG 4.5Å; V342-Q347 HydrophobicContact CG2-CB 4.42Å; V342-V349 HydrophobicContact CG1-CG1 3.92Å
343K92.4Very high93.6Very high191 Ų19167 Ų6783%0.8335%0.345SS*.SBendtrans-81-24.9-179.9-66.8-174.6178.7-177.50112.8Q347K343-Q347 VanDerWaalsContact N-OE1 3.08Å
344H91.9Very high93.7Very high138 Ų13865.9 Ų65.964%0.63935%0.347SS*.SBendtrans-128.1139.7-179.2-62.3-68.7000110.1V342 P346 Q347V342-H344 WeakPolarHBondContact CG2-O 3.09Å; H344-P346 CarbonylContact O-C 3.58Å; H344-Q347 VanDerWaalsContact O-CB 3.26Å; H344-Q347 WeakPolarHBondContact O-CB 3.17Å; H344-Q347 PolarHBondContact O-N 2.84Å
345N90.1Very high93.6Very high109 Ų10963.2 Ų63.258%0.58334%0.337SS*.SBendtrans-108.3115.5-177.9-76.8-39.5000111.3W338 G339W338-N345 WeakPolarHBondContact CA-OD1 3.35Å; G339-N345 PolarHBondContact N-OD1 3.46Å
346P91.2Very high93.6Very high64 Ų6467.8 Ų67.842%0.41636%0.358SS..SBendcis-77.1157.4-16.126.2-26.1000113.8L336 V337 W338 H344L336-P346 HydrophobicContact CB-CB 4.47Å; V337-P346 VanDerWaalsContact O-CA 3.3Å; V337-P346 WeakPolarHBondContact O-CA 3.49Å; W338-P346 HydrophobicContact CD2-CB 3.91Å; W338-P346 VanDerWaalsContact CE2-CB 3.43Å; W338-P346 HydrophobicContact CG-CB 4.15Å; W338-P346 HydrophobicContact CH2-CB 4.48Å; W338-P346 HydrophobicContact CZ2-CB 3.75Å; W338-P346 HydrophobicContact CZ2-CG 3.86Å; H344-P346 CarbonylContact O-C 3.58Å
347Q95Very high93.5Very high67 Ų6768.6 Ų68.631%0.31336%0.363SS..EExtended strand (participates in β ladder)trans-115.8141.7170-175169.6-1500110.8L336 V337 V342 K343 H344 V349L336-Q347 WeakPolarHBondContact CA-O 3.42Å; V337-Q347 PolarHBondContact N-O 3.31Å; V337-Q347 PolarHBondContact O-N 3.46Å; V342-Q347 HydrophobicContact CB-CB 3.8Å; V342-Q347 HydrophobicContact CG1-CB 3.87Å; V342-Q347 HydrophobicContact CG1-CG 4.5Å; V342-Q347 HydrophobicContact CG2-CB 4.42Å; K343-Q347 VanDerWaalsContact N-OE1 3.08Å; H344-Q347 VanDerWaalsContact O-CB 3.26Å; H344-Q347 WeakPolarHBondContact O-CB 3.17Å; H344-Q347 PolarHBondContact O-N 2.84Å; Q347-V349 HydrophobicContact CG-CG1 4.34Å
348K95.2Very high93.3Very high135 Ų13573.6 Ų73.659%0.58739%0.386SS*.EExtended strand (participates in β ladder)trans-80.1121.3172.2179.8175172.9179.80109.3Y334 A335 L336Y334-K348 HydrophobicContact CD1-CD 4.38Å; Y334-K348 VanDerWaalsContact CD1-CE 3.48Å; Y334-K348 HydrophobicContact CD2-CD 3.9Å; Y334-K348 HydrophobicContact CD2-CG 3.66Å; Y334-K348 HydrophobicContact CE2-CD 4.25Å; Y334-K348 HydrophobicContact CE2-CG 4.34Å; Y334-K348 HydrophobicContact CG-CD 3.97Å; Y334-K348 HydrophobicContact CG-CG 3.93Å; A335-K348 WeakPolarHBondContact O-CA 3.36Å; L336-K348 HydrophobicContact CD2-CB 4.27Å
349V95.4Very high93.3Very high10 Ų1071 Ų716%0.06138%0.376CS..EExtended strand (participates in β ladder)trans-123.2155.6-177.3-55.80000112.1V317 A335 V337 V342 Q347 H353V317-V349 HydrophobicContact CG2-CG2 4.11Å; A335-V349 HydrophobicContact CB-CG2 3.77Å; A335-V349 PolarHBondContact N-O 3.35Å; A335-V349 VanDerWaalsContact N-O 3.07Å; A335-V349 PolarHBondContact O-N 3.21Å; V337-V349 HydrophobicContact CB-CG2 4.37Å; V337-V349 HydrophobicContact CG2-CG2 3.56Å; V342-V349 HydrophobicContact CG1-CG1 3.92Å; Q347-V349 HydrophobicContact CG-CG1 4.34Å; V349-H353 HydrophobicContact CB-CB 3.71Å; V349-H353 HydrophobicContact CG1-CB 4.32Å; V349-H353 HydrophobicContact CG2-CB 4Å
350G93.8Very high93.4Very high43 Ų4370.4 Ų70.444%0.44337%0.368SS..  trans-86.4-173.217400000112.5
351K92.6Very high93.5Very high89 Ų8966.8 Ų66.839%0.38734%0.342SS..THydrogen-bonded Turntrans-71.4-29.9179.459.9169.5-166145.90113.7V317 E318 F332 H353V317-K351 PolarHBondContact N-O 3.35Å; E318-K351 HydrophobicContact CB-CB 4.39Å; E318-K351 PolarHBondContact N-O 2.98Å; E318-K351 IonicContact OE2-NZ 3.64Å; F332-K351 HydrophobicContact CD1-CB 4.41Å; F332-K351 HydrophobicContact CE1-CB 4.03Å; K351-H353 VanDerWaalsContact C-N 3.26Å; K351-H353 PolarHBondContact O-N 3.14Å
352D93.5Very high93.6Very high114 Ų11466.9 Ų66.961%0.6134%0.34SS*.THydrogen-bonded Turntrans-85.60.6-176-49.2-57.7000112.5V354D352-V354 PolarHBondContact O-N 3.19Å
353H94.4Very high93.6Very high44 Ų4468.6 Ų68.620%0.20435%0.349CS..PPolyproline II helixtrans-67.5130.9178.2-177.775.8000110.4S316 V317 S341 V349 K351S316-H353 CarbonylContact C-O 3.56Å; S316-H353 VanDerWaalsContact CA-O 3.28Å; S316-H353 WeakPolarHBondContact CA-O 3.46Å; V317-H353 HydrophobicContact CG2-CB 4.07Å; V317-H353 PolarHBondContact N-O 2.84Å; S341-H353 PolarHBondContact O-CE1 2.82Å; S341-H353 VanDerWaalsContact O-CE1 3.29Å; S341-H353 PolarHBondContact OG-NE2 2.77Å; V349-H353 HydrophobicContact CB-CB 3.71Å; V349-H353 HydrophobicContact CG1-CB 4.32Å; V349-H353 HydrophobicContact CG2-CB 4Å; K351-H353 VanDerWaalsContact C-N 3.26Å; K351-H353 PolarHBondContact O-N 3.14Å
354V94.4Very high93.5Very high89 Ų8961 Ų6154%0.53932%0.318SS..BIsolated β-bridgetrans-90.1121.4179.3-176.90000108.2T315 S341 D352T315-V354 VanDerWaalsContact OG1-CG1 3.27Å; T315-V354 WeakPolarHBondContact OG1-CG1 3.29Å; S341-V354 WeakPolarHBondContact CB-O 3.39Å; D352-V354 PolarHBondContact O-N 3.19Å
355M93.6Very high93.4Very high3 Ų360.1 Ų60.12%0.01531%0.313CS..PPolyproline II helixtrans-90156.8178.1-69.3172-70.600111.7I293 L310 T315 S316 V317 F320 D359 I361I293-M355 HydrophobicContact CD1-CB 4.07Å; I293-M355 HydrophobicContact CD1-CE 3.42Å; I293-M355 VanDerWaalsContact CD1-CE 3.42Å; I293-M355 HydrophobicContact CD1-SD 3.69Å; I293-M355 HydrophobicContact CG1-CB 4.34Å; I293-M355 HydrophobicContact CG1-CE 4.47Å; I293-M355 HydrophobicContact CG1-SD 4.14Å; I293-M355 HydrophobicContact CG2-SD 4.11Å; L310-M355 HydrophobicContact CD1-CE 4.27Å; T315-M355 WeakPolarHBondContact O-CE 3.41Å; T315-M355 PolarHBondContact O-N 2.71Å; S316-M355 VanDerWaalsContact C-CE 3.48Å; S316-M355 VanDerWaalsContact O-CE 3.32Å; S316-M355 WeakPolarHBondContact O-CE 3.45Å; V317-M355 HydrophobicContact CB-CE 4.34Å; V317-M355 HydrophobicContact CG2-CE 3.91Å; V317-M355 HydrophobicContact CG2-CG 4.22Å; V317-M355 HydrophobicContact CG2-SD 3.95Å; F320-M355 HydrophobicContact CB-CE 3.66Å; F320-M355 HydrophobicContact CG-CE 4.27Å; M355-D359 WeakPolarHBondContact CA-OD2 3.28Å; M355-D359 HydrophobicContact CB-CB 4.49Å; M355-D359 WeakPolarHBondContact CB-OD2 3.35Å; M355-I361 HydrophobicContact SD-CD1 3.81Å
356E93.1Very high93Very high96 Ų9663.9 Ų63.945%0.44932%0.323SS..  trans-112.3168.3176.8-68.5-176.4-179.100111.1V291 S340 D359V291-E356 WeakPolarHBondContact CG1-O 3.41Å; S340-E356 WeakPolarHBondContact CB-OE2 3.38Å; S340-E356 WeakPolarHBondContact OG-CB 3.44Å; S340-E356 PolarHBondContact OG-OE2 3.34Å; E356-D359 PolarHBondContact N-OD2 3.43Å; E356-D359 WeakPolarHBondContact O-CB 3.31Å; E356-D359 PolarHBondContact O-N 3.35Å
357D93Very high93.1Very high55 Ų5563.9 Ų63.929%0.29432%0.319SS..THydrogen-bonded Turntrans-63138.6-178.1-169.340.6000111R292 D359R292-D357 VanDerWaalsContact CB-OD1 3.27Å; R292-D357 WeakPolarHBondContact CB-OD1 3.46Å; R292-D357 IonicContact CZ-OD1 2.78Å; R292-D357 IonicContact CZ-OD2 3.74Å; R292-D357 PolarHBondContact N-OD1 3.44Å; R292-D357 IonicContact NE-OD1 3.64Å; R292-D357 PolarHBondContact NE-OD1 3.47Å; R292-D357 VanDerWaalsContact NE-OD1 3.07Å; R292-D357 IonicContact NE-OD2 2.68Å; R292-D357 PolarHBondContact NE-OD2 3.48Å; R292-D357 IonicContact NH2-OD1 3.53Å; R292-D357 IonicContact NH2-OD2 3.21Å; R292-D357 PolarHBondContact NH2-OD2 3.12Å; D357-D359 PolarHBondContact O-N 3.23Å
358E92.8Very high93Very high105 Ų10563.7 Ų63.749%0.49132%0.319SS..THydrogen-bonded Turntrans68.311-176.8-50.9-170.1154.900116.2R292 Y294R292-E358 IonicContact CZ-OE1 3.6Å; R292-E358 IonicContact NH1-OE1 3.99Å; R292-E358 PolarHBondContact NH1-OE1 3.11Å; R292-E358 VanDerWaalsContact NH1-OE1 3.15Å; R292-E358 VanDerWaalsContact NH2-CD 3.34Å; R292-E358 VanDerWaalsContact NH2-CG 3.35Å; R292-E358 IonicContact NH2-OE1 2.72Å; R292-E358 PolarHBondContact NH2-OE1 3.46Å; R292-E358 WeakPolarHBondContact O-CA 3.28Å; R292-E358 PolarHBondContact O-N 3.2Å; Y294-E358 HydrophobicContact CE2-CB 3.96Å; Y294-E358 HydrophobicContact CE2-CG 4.14Å
359D94.8Very high92.9Very high0 Ų059.7 Ų59.70%030%0.304CS..  trans-58.8143.1170-84-12.2000111.6I293 Y294 V337 G339 S340 S341 M355 E356 D357I293-D359 CarbonylContact C-O 3.49Å; I293-D359 WeakPolarHBondContact CA-O 3.43Å; Y294-D359 PolarHBondContact N-O 3.49Å; V337-D359 HydrophobicContact CG1-CB 4.33Å; G339-D359 VanDerWaalsContact CA-OD1 3.26Å; G339-D359 WeakPolarHBondContact CA-OD1 3.4Å; S340-D359 PolarHBondContact N-OD1 3.46Å; S341-D359 WeakPolarHBondContact CB-OD2 3.43Å; S341-D359 PolarHBondContact OG-OD2 3.33Å; M355-D359 WeakPolarHBondContact CA-OD2 3.28Å; M355-D359 HydrophobicContact CB-CB 4.49Å; M355-D359 WeakPolarHBondContact CB-OD2 3.35Å; E356-D359 PolarHBondContact N-OD2 3.43Å; E356-D359 WeakPolarHBondContact O-CB 3.31Å; E356-D359 PolarHBondContact O-N 3.35Å; D357-D359 PolarHBondContact O-N 3.23Å
360V95.4Very high92.7Very high13 Ų1362.6 Ų62.68%0.07932%0.319CS..EExtended strand (participates in β ladder)trans-104.3130.8172.6-178.90000108.9Y294 K296 P302 Y304 V337 W338Y294-V360 CarbonylContact O-C 3.54Å; Y294-V360 WeakPolarHBondContact O-CA 3.43Å; K296-V360 HydrophobicContact CB-CG1 3.61Å; K296-V360 HydrophobicContact CD-CG1 4.14Å; K296-V360 HydrophobicContact CG-CG1 4.42Å; P302-V360 HydrophobicContact CB-CG1 3.85Å; P302-V360 HydrophobicContact CB-CG2 4.39Å; P302-V360 HydrophobicContact CG-CG1 3.78Å; P302-V360 HydrophobicContact CG-CG2 4.43Å; Y304-V360 HydrophobicContact CE1-CG2 4.4Å; V337-V360 WeakPolarHBondContact CA-O 3.34Å; W338-V360 HydrophobicContact CB-CB 4.25Å; W338-V360 HydrophobicContact CE3-CB 4.24Å; W338-V360 HydrophobicContact CE3-CG1 3.98Å; W338-V360 PolarHBondContact N-O 3.14Å; W338-V360 PolarHBondContact O-N 3.45Å
361I94.8Very high92.6Very high3 Ų363.9 Ų63.92%0.01531%0.311CS..EExtended strand (participates in β ladder)trans-123.8135.6-179.7-169169.7000112.6I293 Y294 K296 V317 F320 A335 L336 V337 M355 L363I293-I361 HydrophobicContact CG2-CB 4.07Å; I293-I361 HydrophobicContact CG2-CG2 3.41Å; I293-I361 VanDerWaalsContact CG2-CG2 3.41Å; Y294-I361 PolarHBondContact O-N 3.25Å; K296-I361 PolarHBondContact N-O 2.79Å; V317-I361 HydrophobicContact CG1-CD1 3.98Å; V317-I361 HydrophobicContact CG2-CD1 4.11Å; F320-I361 HydrophobicContact CD1-CD1 4.11Å; F320-I361 HydrophobicContact CD1-CG2 4.3Å; F320-I361 HydrophobicContact CD2-CG2 4.49Å; F320-I361 HydrophobicContact CE1-CD1 4.21Å; F320-I361 HydrophobicContact CE1-CG2 3.54Å; F320-I361 HydrophobicContact CE2-CG2 3.75Å; F320-I361 HydrophobicContact CZ-CG2 3.21Å; A335-I361 HydrophobicContact CB-CD1 3.79Å; A335-I361 HydrophobicContact CB-CG1 3.91Å; L336-I361 WeakPolarHBondContact O-CA 3.44Å; V337-I361 HydrophobicContact CG2-CB 4.42Å; V337-I361 HydrophobicContact CG2-CD1 4.28Å; V337-I361 HydrophobicContact CG2-CG1 4.04Å; M355-I361 HydrophobicContact SD-CD1 3.81Å; I361-L363 HydrophobicContact CD1-CD2 3.7Å; I361-L363 HydrophobicContact CG1-CD2 4.06Å
362Q94.3Very high92.6Very high23 Ų2362.2 Ų62.211%0.10731%0.306CS..EExtended strand (participates in β ladder)trans-119.2115167.6177.6179.5-34.900109.3K296 A335 L336 W338K296-Q362 HydrophobicContact CB-CB 4.41Å; K296-Q362 WeakPolarHBondContact O-CA 3.39Å; K296-Q362 VanDerWaalsContact O-CB 3.23Å; K296-Q362 WeakPolarHBondContact O-CB 3.49Å; K296-Q362 VanDerWaalsContact O-CG 3.23Å; K296-Q362 WeakPolarHBondContact O-CG 3.42Å; A335-Q362 WeakPolarHBondContact CA-O 3.34Å; L336-Q362 HydrophobicContact CB-CB 4.34Å; L336-Q362 PolarHBondContact N-O 3.37Å; L336-Q362 PolarHBondContact O-N 3.19Å; W338-Q362 HydrophobicContact CH2-CB 3.82Å; W338-Q362 HydrophobicContact CZ3-CB 3.6Å
363L93.2Very high92.6Very high50 Ų5058.5 Ų58.526%0.26228%0.284SS..EExtended strand (participates in β ladder)trans-81.1133.4177.5-61.9-179.4000111V317 F320 L328 F332 A335 I361V317-L363 HydrophobicContact CG1-CD2 4.35Å; F320-L363 HydrophobicContact CD1-CD1 4.31Å; F320-L363 HydrophobicContact CE1-CD1 3.91Å; F320-L363 HydrophobicContact CE1-CD2 4.43Å; F320-L363 HydrophobicContact CE1-CG 4.22Å; L328-L363 HydrophobicContact CD2-CD1 3.47Å; L328-L363 VanDerWaalsContact CD2-CD1 3.47Å; F332-L363 HydrophobicContact CD2-CD2 4.2Å; F332-L363 HydrophobicContact CE2-CD2 3.92Å; A335-L363 HydrophobicContact CB-CD2 4Å; I361-L363 HydrophobicContact CD1-CD2 3.7Å; I361-L363 HydrophobicContact CG1-CD2 4.06Å
364V91.9Very high92.4Very high31 Ų3159.6 Ų59.619%0.18829%0.29CS..EExtended strand (participates in β ladder)trans-110.1121171.8-177.10000108.9K333 Y334K333-V364 VanDerWaalsContact CB-O 3.25Å; K333-V364 WeakPolarHBondContact CB-O 3.17Å; K333-V364 HydrophobicContact CD-CG1 4.44Å; K333-V364 PolarHBondContact N-O 3.1Å; Y334-V364 HydrophobicContact CD1-CB 4.25Å; Y334-V364 HydrophobicContact CD1-CG1 4.35Å; Y334-V364 HydrophobicContact CD2-CB 4.07Å; Y334-V364 HydrophobicContact CD2-CG2 4.02Å; Y334-V364 HydrophobicContact CE1-CB 4.02Å; Y334-V364 HydrophobicContact CE1-CG1 3.75Å; Y334-V364 HydrophobicContact CE1-CG2 4.48Å; Y334-V364 HydrophobicContact CE2-CB 3.83Å; Y334-V364 HydrophobicContact CE2-CG1 4.27Å; Y334-V364 HydrophobicContact CE2-CG2 3.49Å; Y334-V364 VanDerWaalsContact CE2-CG2 3.49Å; Y334-V364 HydrophobicContact CG-CB 4.28Å; Y334-V364 PolarHBondContact N-O 3.15Å; Y334-V364 WeakPolarHBondContact O-CB 3.19Å; Y334-V364 PolarHBondContact O-N 2.78Å
365K89.6Confident92.3Very high120 Ų12057.2 Ų57.252%0.52227%0.27SS..EExtended strand (participates in β ladder)trans-82.9157.6177.2-61.4-177.1173.4-156.10111E331E331-K365 HydrophobicContact CB-CB 4.47Å; E331-K365 HydrophobicContact CB-CD 4.44Å; E331-K365 HydrophobicContact CB-CG 4.35Å; E331-K365 CarbonylContact O-C 3.6Å; E331-K365 VanDerWaalsContact O-CA 3.22Å; E331-K365 WeakPolarHBondContact O-CA 3.31Å; E331-K365 WeakPolarHBondContact OE2-CD 3.38Å; E331-K365 WeakPolarHBondContact OE2-CE 3.3Å; E331-K365 IonicContact OE2-NZ 2.77Å; E331-K365 PolarHBondContact OE2-NZ 3Å
366K80.6Confident92.1Very high187 Ų18762.1 Ų62.181%0.81329%0.293SS*.  trans-56.60-174.8-84.9-179.3177.8170.10113.9E331 F332 K333E331-K366 PolarHBondContact O-N 2.74Å; F332-K366 WeakPolarHBondContact O-CE 3.48Å; K333-K366 HydrophobicContact CB-CG 3.95Å; K333-K366 HydrophobicContact CG-CG 4.16Å; K333-K366 PolarHBondContact NZ-OXT 2.83Å

Retrieved 366 of 366 residues in 103 ms (Link to these results)