A0A077Z1F3_TRITR Loading...

Nicotinic acetylcholine receptor alpha 30D

AlphaFold DB , UniProt , Accession A0A077Z1F3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 476 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
1M41.7Very low48.2Very low248 Ų248145.8 Ų145.8100%1.22280%0.802SS**  087.10-150162.981.300105.8
2S36.9Very low51.3Low108 Ų108140.9 Ų140.976%0.75576%0.763SS**  trans-129.893.4-171.645.70000105.7Q4S2-Q4 PolarHBondContact O-N 2.79Å; S2-Q4 VanDerWaalsContact O-N 3.14Å
3E40.3Very low54Low193 Ų193136.2 Ų136.290%0.90273%0.733SS**  trans-70.3102.3169.2-79.4173.5145.700107.5N5E3-N5 PolarHBondContact O-N 3.23Å
4Q38.8Very low56.4Low178 Ų178134.6 Ų134.683%0.83272%0.716SS**  trans-67.1111.1160.1-71.4176.3-35.100106.4S2 E6S2-Q4 PolarHBondContact O-N 2.79Å; S2-Q4 VanDerWaalsContact O-N 3.14Å; Q4-E6 VanDerWaalsContact C-N 3.32Å; Q4-E6 PolarHBondContact O-N 3.49Å
5N41.6Very low58.6Low165 Ų165131.9 Ų131.988%0.88270%0.702SS**  trans-60.499.7163.8-99.1-13.7000107.5E3 S7E3-N5 PolarHBondContact O-N 3.23Å; N5-S7 PolarHBondContact O-N 2.88Å
6E40.5Very low60.6Low175 Ų175123.7 Ų123.782%0.81866%0.658SS**  trans-50.9119.6166.8-73.4179.4149.100108.5Q4 L8Q4-E6 VanDerWaalsContact C-N 3.32Å; Q4-E6 PolarHBondContact O-N 3.49Å; E6-L8 PolarHBondContact O-N 3.2Å
7S47.9Very low62.3Low107 Ų107119.5 Ų119.575%0.74863%0.631SS**  trans-59.5106.2165.453.70000107.8N5 C9N5-S7 PolarHBondContact O-N 2.88Å; S7-C9 PolarHBondContact O-N 3.01Å
8L46.8Very low63.8Low148 Ų148121.2 Ų121.278%0.77563%0.632SS**  trans-62.773.3167.8-84.4143.2000109.3E6 G10E6-L8 PolarHBondContact O-N 3.2Å; L8-G10 VanDerWaalsContact C-N 3.3Å; L8-G10 PolarHBondContact O-N 3.45Å; L8-G10 VanDerWaalsContact O-N 3.12Å
9C51.8Low65.1Low127 Ų127121.1 Ų121.186%0.85863%0.628SS**  trans-85.774.2178.3-156.80000108.4S7S7-C9 PolarHBondContact O-N 3.01Å
10G63.7Low66.3Low40 Ų40116.3 Ų116.341%0.41260%0.603SS.*  trans-102.7157.8169.800000111.8L8 Y12L8-G10 VanDerWaalsContact C-N 3.3Å; L8-G10 PolarHBondContact O-N 3.45Å; L8-G10 VanDerWaalsContact O-N 3.12Å; G10-Y12 PolarHBondContact O-N 2.84Å
11D79.7Confident67.4Low115 Ų115112.7 Ų112.762%0.61559%0.585SS**THydrogen-bonded Turntrans-66.432.5173.3-93.15.5000112.8E13 K14 L15D11-E13 PolarHBondContact O-N 3.34Å; D11-K14 HydrophobicContact CB-CB 4.36Å; D11-K14 HydrophobicContact CB-CD 4.37Å; D11-K14 PolarHBondContact O-N 3.45Å; D11-K14 WeakPolarHBondContact OD2-CD 3.41Å; D11-K14 IonicContact OD2-NZ 2.84Å; D11-K14 PolarHBondContact OD2-NZ 3.3Å; D11-L15 PolarHBondContact O-N 2.78Å
12Y86.5Confident69.6Low87 Ų87104.6 Ų104.634%0.34156%0.557SS.*Hα-helixtrans-62.3-43-174.4-66.6-71.5000112.6G10 K14 L15 L16 Y81G10-Y12 PolarHBondContact O-N 2.84Å; Y12-K14 VanDerWaalsContact C-N 3.32Å; Y12-K14 PolarHBondContact O-N 2.99Å; Y12-L15 PolarHBondContact O-N 2.84Å; Y12-L16 WeakPolarHBondContact O-CB 3.26Å; Y12-L16 PolarHBondContact O-N 3.06Å; Y12-Y81 WeakPolarHBondContact CB-O 3.33Å
13E86.3Confident71.9Confident79 Ų79108.5 Ų108.537%0.36956%0.564SS.*Hα-helixtrans-62.9-41176.9-175.8172.2-174.900110.9D11 L15 L16 Y17 V87D11-E13 PolarHBondContact O-N 3.34Å; E13-L15 PolarHBondContact O-N 2.99Å; E13-L16 WeakPolarHBondContact O-CB 3.21Å; E13-L16 PolarHBondContact O-N 3.37Å; E13-Y17 HydrophobicContact CG-CD2 3.85Å; E13-Y17 HydrophobicContact CG-CE2 3.76Å; E13-Y17 VanDerWaalsContact O-CD2 3.26Å; E13-Y17 WeakPolarHBondContact O-CD2 3.25Å; E13-Y17 PolarHBondContact O-N 3.28Å; E13-V87 HydrophobicContact CG-CG1 4.15Å
14K87.7Confident74.5Confident114 Ų114100.6 Ų100.650%0.49653%0.526SS..Hα-helixtrans-66.3-37.8177.5178-179.9167.4-166.30112.6D11 Y12 K18D11-K14 HydrophobicContact CB-CB 4.36Å; D11-K14 HydrophobicContact CB-CD 4.37Å; D11-K14 PolarHBondContact O-N 3.45Å; D11-K14 WeakPolarHBondContact OD2-CD 3.41Å; D11-K14 IonicContact OD2-NZ 2.84Å; D11-K14 PolarHBondContact OD2-NZ 3.3Å; Y12-K14 VanDerWaalsContact C-N 3.32Å; Y12-K14 PolarHBondContact O-N 2.99Å; K14-K18 PolarHBondContact O-N 2.87Å; K14-K18 VanDerWaalsContact O-N 3.16Å
15L89.2Confident77Confident95 Ų9595.7 Ų95.750%0.49751%0.505SS..Hα-helixtrans-63-47.5172.7-178.766.6000110.6D11 Y12 E13 Y17 K18 Q19 Y81D11-L15 PolarHBondContact O-N 2.78Å; Y12-L15 PolarHBondContact O-N 2.84Å; E13-L15 PolarHBondContact O-N 2.99Å; L15-Y17 PolarHBondContact O-N 3.15Å; L15-K18 PolarHBondContact O-N 3.45Å; L15-Q19 PolarHBondContact O-N 2.67Å; L15-Y81 HydrophobicContact CD2-CE1 4.43Å; L15-Y81 HydrophobicContact CG-CE1 4.35Å
16L90.8Very high79.4Confident0 Ų090.2 Ų90.20%048%0.479CS..Hα-helixtrans-57.1-47.1176.8-179.563000111.4Y12 E13 K18 Q19 L20 W76 Y81 V84 V87Y12-L16 WeakPolarHBondContact O-CB 3.26Å; Y12-L16 PolarHBondContact O-N 3.06Å; E13-L16 WeakPolarHBondContact O-CB 3.21Å; E13-L16 PolarHBondContact O-N 3.37Å; L16-K18 PolarHBondContact O-N 3.12Å; L16-Q19 PolarHBondContact O-N 3.3Å; L16-L20 HydrophobicContact CD1-CD1 3.61Å; L16-L20 HydrophobicContact CD1-CD2 4.28Å; L16-L20 HydrophobicContact CD1-CG 3.69Å; L16-L20 HydrophobicContact CD2-CD1 4.25Å; L16-L20 HydrophobicContact CG-CD1 3.61Å; L16-L20 HydrophobicContact CG-CG 4.09Å; L16-L20 WeakPolarHBondContact O-CB 3.5Å; L16-L20 WeakPolarHBondContact O-CG 3.45Å; L16-L20 PolarHBondContact O-N 3.46Å; L16-W76 HydrophobicContact CD1-CB 3.84Å; L16-W76 HydrophobicContact CD1-CD2 3.91Å; L16-W76 HydrophobicContact CD1-CE3 4.42Å; L16-W76 HydrophobicContact CD1-CG 3.64Å; L16-W76 HydrophobicContact CD2-CD2 3.94Å; L16-W76 HydrophobicContact CD2-CG 4.24Å; L16-W76 HydrophobicContact CD2-CZ2 4Å; L16-Y81 HydrophobicContact CB-CD1 3.61Å; L16-Y81 HydrophobicContact CB-CE1 3.93Å; L16-Y81 HydrophobicContact CB-CG 4.15Å; L16-Y81 HydrophobicContact CD1-CD1 3.89Å; L16-Y81 HydrophobicContact CD1-CD2 3.88Å; L16-Y81 HydrophobicContact CD1-CE1 3.79Å; L16-Y81 HydrophobicContact CD1-CE2 3.81Å; L16-Y81 HydrophobicContact CD1-CG 3.91Å; L16-Y81 HydrophobicContact CG-CD1 4.28Å; L16-Y81 HydrophobicContact CG-CE1 4.49Å; L16-Y81 HydrophobicContact CG-CG 4.44Å; L16-V84 HydrophobicContact CD2-CG1 4.02Å; L16-V87 HydrophobicContact CD2-CG1 3.71Å
17Y88.8Confident81.8Confident53 Ų5388.8 Ų88.821%0.20848%0.476CS..Hα-helixtrans-57.8-44.9176.7-96.7-76.1000113.3E13 L15 Q19 L21 V87 R88 V89E13-Y17 HydrophobicContact CG-CD2 3.85Å; E13-Y17 HydrophobicContact CG-CE2 3.76Å; E13-Y17 VanDerWaalsContact O-CD2 3.26Å; E13-Y17 WeakPolarHBondContact O-CD2 3.25Å; E13-Y17 PolarHBondContact O-N 3.28Å; L15-Y17 PolarHBondContact O-N 3.15Å; Y17-Q19 VanDerWaalsContact C-N 3.3Å; Y17-Q19 PolarHBondContact O-N 3.22Å; Y17-L21 HydrophobicContact CD1-CD1 3.88Å; Y17-L21 HydrophobicContact CE1-CD1 4.41Å; Y17-L21 WeakPolarHBondContact O-CB 3.29Å; Y17-L21 PolarHBondContact O-N 2.99Å; Y17-V87 HydrophobicContact CE2-CB 4.1Å; Y17-V87 HydrophobicContact CE2-CG1 4.3Å; Y17-R88 PolarHBondContact OH-N 3.06Å; Y17-R88 PolarHBondContact OH-O 2.85Å; Y17-V89 HydrophobicContact CE1-CB 4.47Å; Y17-V89 HydrophobicContact CE1-CG1 4.42Å; Y17-V89 HydrophobicContact CE1-CG2 3.87Å
18K88.7Confident83.9Confident150 Ų15087.8 Ų87.865%0.65246%0.461SS*.Hα-helixtrans-64.3-38.3179.3-78.3-174.7175.5-172.30111.7K14 L15 L16 A22K14-K18 PolarHBondContact O-N 2.87Å; K14-K18 VanDerWaalsContact O-N 3.16Å; L15-K18 PolarHBondContact O-N 3.45Å; L16-K18 PolarHBondContact O-N 3.12Å; K18-A22 VanDerWaalsContact O-CB 3.3Å; K18-A22 WeakPolarHBondContact O-CB 3.17Å; K18-A22 PolarHBondContact O-N 3.05Å
19Q89.2Confident86.2Confident119 Ų11982.5 Ų82.556%0.55643%0.431SS*.Hα-helixtrans-77.5-44.9-178.4-174.6166.1-20.100112.4L15 L16 Y17 L21 Y81L15-Q19 PolarHBondContact O-N 2.67Å; L16-Q19 PolarHBondContact O-N 3.3Å; Y17-Q19 VanDerWaalsContact C-N 3.3Å; Y17-Q19 PolarHBondContact O-N 3.22Å; Q19-L21 VanDerWaalsContact C-N 3.35Å; Q19-L21 PolarHBondContact O-N 3.36Å; Q19-Y81 PolarHBondContact NE2-OH 3.43Å; Q19-Y81 PolarHBondContact OE1-OH 3.32Å
20L89.2Confident88.2Confident25 Ų2576.8 Ų76.813%0.13139%0.392CS..Hα-helixtrans-63.2-39.1-179.5-74.9177.4000112.7L16 L74 W76L16-L20 HydrophobicContact CD1-CD1 3.61Å; L16-L20 HydrophobicContact CD1-CD2 4.28Å; L16-L20 HydrophobicContact CD1-CG 3.69Å; L16-L20 HydrophobicContact CD2-CD1 4.25Å; L16-L20 HydrophobicContact CG-CD1 3.61Å; L16-L20 HydrophobicContact CG-CG 4.09Å; L16-L20 WeakPolarHBondContact O-CB 3.5Å; L16-L20 WeakPolarHBondContact O-CG 3.45Å; L16-L20 PolarHBondContact O-N 3.46Å; L20-L74 HydrophobicContact CB-CD2 4.36Å; L20-W76 HydrophobicContact CD1-CE3 3.86Å; L20-W76 HydrophobicContact CD1-CZ3 4.05Å; L20-W76 HydrophobicContact CD2-CE3 4.24Å
21L89.2Confident89.6Confident40 Ų4075.7 Ų75.721%0.20938%0.377CS..THydrogen-bonded Turntrans-98.10.1-173.2-60.9179000114.2Y17 Q19 V89 I94Y17-L21 HydrophobicContact CD1-CD1 3.88Å; Y17-L21 HydrophobicContact CE1-CD1 4.41Å; Y17-L21 WeakPolarHBondContact O-CB 3.29Å; Y17-L21 PolarHBondContact O-N 2.99Å; Q19-L21 VanDerWaalsContact C-N 3.35Å; Q19-L21 PolarHBondContact O-N 3.36Å; L21-V89 HydrophobicContact CD1-CG1 4.35Å; L21-V89 HydrophobicContact CD2-CG1 4.42Å; L21-I94 HydrophobicContact CD2-CG2 4.48Å
22A87.7Confident90Very high78 Ų7875.5 Ų75.565%0.64538%0.376SS*.SBendtrans-65.5-40-177.300000113.2K18K18-A22 VanDerWaalsContact O-CB 3.3Å; K18-A22 WeakPolarHBondContact O-CB 3.17Å; K18-A22 PolarHBondContact O-N 3.05Å
23E86.4Confident90.3Very high191 Ų19175.4 Ų75.489%0.89338%0.382SS*.SBendtrans-118.86.9-175.4-63-176.217700112.9D25E23-D25 PolarHBondContact O-N 3.18Å
24Y93.2Very high90.4Very high27 Ų2779.4 Ų79.411%0.10640%0.401CS..  trans-78121.2-177.7-172-84.5000110.9P26 D71 Y73 L74 I94 W95Y24-P26 HydrophobicContact CE1-CB 4.24Å; Y24-D71 WeakPolarHBondContact CE2-OD2 3.47Å; Y24-D71 PolarHBondContact OH-OD2 2.87Å; Y24-Y73 HydrophobicContact CE2-CD2 4.37Å; Y24-L74 HydrophobicContact CD2-CD2 3.78Å; Y24-L74 HydrophobicContact CD2-CG 4.02Å; Y24-L74 HydrophobicContact CE2-CD1 3.93Å; Y24-L74 HydrophobicContact CE2-CD2 3.96Å; Y24-L74 HydrophobicContact CE2-CG 3.68Å; Y24-L74 HydrophobicContact CG-CD2 4.44Å; Y24-I94 HydrophobicContact CE1-CB 4.18Å; Y24-I94 HydrophobicContact CE1-CG2 4.39Å; Y24-W95 VanDerWaalsContact OH-CB 3.26Å; Y24-W95 WeakPolarHBondContact OH-CB 3.39Å; Y24-W95 PolarHBondContact OH-N 2.71Å
25D92.6Very high90.6Very high74 Ų7478.9 Ų78.940%0.39641%0.411SS..  trans-99113.1172.8-171.6-19.1000110.4E23 L27 I28E23-D25 PolarHBondContact O-N 3.18Å; D25-L27 PolarHBondContact O-N 2.95Å; D25-L27 WeakPolarHBondContact OD1-CB 3.37Å; D25-L27 PolarHBondContact OD1-N 3.31Å; D25-I28 HydrophobicContact CB-CD1 3.84Å; D25-I28 HydrophobicContact CB-CG1 4.05Å; D25-I28 PolarHBondContact O-N 3.46Å
26P91.8Very high90.8Very high50 Ų5079 Ų7933%0.32541%0.409SS..THydrogen-bonded Turntrans-69.4-9-178.530.1-35.9000114.6Y24 W95Y24-P26 HydrophobicContact CE1-CB 4.24Å; P26-W95 WeakPolarHBondContact O-CA 3.43Å
27L91.4Very high90.9Very high145 Ų14581.4 Ų81.476%0.75942%0.424SS*.THydrogen-bonded Turntrans-87.3-13.1179.6-58.7178.5000113.1D25D25-L27 PolarHBondContact O-N 2.95Å; D25-L27 WeakPolarHBondContact OD1-CB 3.37Å; D25-L27 PolarHBondContact OD1-N 3.31Å
28I91.9Very high91.3Very high86 Ų8679.2 Ų79.244%0.44142%0.417SS..SBendtrans-97.1132.2-173.3-57.8-180000110.5D25 W95D25-I28 HydrophobicContact CB-CD1 3.84Å; D25-I28 HydrophobicContact CB-CG1 4.05Å; D25-I28 PolarHBondContact O-N 3.46Å; I28-W95 VanDerWaalsContact O-CD1 3.29Å
29R93.6Very high91.6Very high38 Ų3876 Ų7614%0.14341%0.406CS..  trans-62.6131.9175.4-69.4-168.7-62.9130.56.4110.8V31 E34 E36 V38 W95 Y160 Q164R29-V31 VanDerWaalsContact C-N 3.31Å; R29-V31 PolarHBondContact O-N 3.41Å; R29-E34 PolarHBondContact NH2-O 2.9Å; R29-E36 PolarHBondContact NH1-O 3.48Å; R29-E36 VanDerWaalsContact NH1-O 3.15Å; R29-V38 HydrophobicContact CB-CG2 4.34Å; R29-W95 HydrophobicContact CG-CZ2 4.06Å; R29-Y160 HydrophobicContact CG-CE1 3.84Å; R29-Q164 VanDerWaalsContact NH1-CA 3.3Å; R29-Q164 PolarHBondContact NH1-O 3.26Å
30P94Very high91.9Very high7 Ų770.3 Ų70.35%0.04538%0.38CS..  trans-84.667.2-175.235.1-38.6000112.9V38 D71 Y73 W95P30-V38 HydrophobicContact CG-CG2 4.46Å; P30-D71 HydrophobicContact CB-CB 3.96Å; P30-D71 WeakPolarHBondContact CB-OD1 3.31Å; P30-D71 WeakPolarHBondContact CB-OD2 3.47Å; P30-D71 HydrophobicContact CG-CB 4.27Å; P30-Y73 HydrophobicContact CB-CD2 4.15Å; P30-Y73 HydrophobicContact CB-CE2 4.44Å; P30-W95 VanDerWaalsContact CD-CD2 3.43Å; P30-W95 HydrophobicContact CG-CD2 4.16Å; P30-W95 HydrophobicContact CG-CE3 3.77Å; P30-W95 HydrophobicContact CG-CZ3 4.24Å
31V93.2Very high92.3Very high16 Ų1671 Ų7110%0.09739%0.385CS..  trans-114.3145.1-178.1-650000112R29 N33 V38 K72R29-V31 VanDerWaalsContact C-N 3.31Å; R29-V31 PolarHBondContact O-N 3.41Å; V31-N33 WeakPolarHBondContact CB-O 3.25Å; V31-N33 VanDerWaalsContact CG2-O 3.28Å; V31-N33 WeakPolarHBondContact CG2-O 3.29Å; V31-V38 HydrophobicContact CG1-CG2 3.38Å; V31-K72 WeakPolarHBondContact O-CD 3.19Å; V31-K72 WeakPolarHBondContact O-CE 3.46Å; V31-K72 PolarHBondContact O-NZ 3.26Å
32D88.6Confident92.6Very high111 Ų11169 Ų6959%0.59438%0.375SS*.SBendtrans-66-43.9176.5-73.3-48.6000111K72D32-K72 HydrophobicContact CB-CD 4.48Å; D32-K72 WeakPolarHBondContact OD1-CD 3.28Å
33N92.2Very high93Very high85 Ų8565.4 Ų65.446%0.45535%0.345SS..SBendtrans-122.1136.6174.7-174.8-0.4000110V31 S35 E36V31-N33 WeakPolarHBondContact CB-O 3.25Å; V31-N33 VanDerWaalsContact CG2-O 3.28Å; V31-N33 WeakPolarHBondContact CG2-O 3.29Å; N33-S35 PolarHBondContact O-N 3Å; N33-S35 VanDerWaalsContact O-N 3.11Å; N33-S35 PolarHBondContact OD1-N 3.48Å; N33-E36 HydrophobicContact CB-CG 4.22Å; N33-E36 PolarHBondContact O-N 3.36Å
34E89Confident93.4Very high164 Ų16456.3 Ų56.377%0.76630%0.303SS*.THydrogen-bonded Turntrans-59.8-26.3-178.1-65.5-177.717700113.5R29 E36R29-E34 PolarHBondContact NH2-O 2.9Å; E34-E36 VanDerWaalsContact C-N 3.27Å; E34-E36 PolarHBondContact O-N 3.49Å
35S91.2Very high93.5Very high102 Ų10255.4 Ų55.471%0.71330%0.3SS*.THydrogen-bonded Turntrans-73.3-13.8177.3-59.90000114N33N33-S35 PolarHBondContact O-N 3Å; N33-S35 VanDerWaalsContact O-N 3.11Å; N33-S35 PolarHBondContact OD1-N 3.48Å
36E93.5Very high93.7Very high99 Ų9952 Ų5246%0.46328%0.281SS..SBendtrans-91.7144.5-178.4-68179.1179.500111.6R29 N33 E34R29-E36 PolarHBondContact NH1-O 3.48Å; R29-E36 VanDerWaalsContact NH1-O 3.15Å; N33-E36 HydrophobicContact CB-CG 4.22Å; N33-E36 PolarHBondContact O-N 3.36Å; E34-E36 VanDerWaalsContact C-N 3.27Å; E34-E36 PolarHBondContact O-N 3.49Å
37P94.5Very high93.8Very high49 Ų4950.6 Ų50.632%0.31827%0.271SS..PPolyproline II helixtrans-79.9148.5172.730.6-32.6000111.5N39 Y163 Q164 N166P37-N39 PolarHBondContact O-N 3.42Å; P37-Y163 WeakPolarHBondContact CB-O 3.46Å; P37-Q164 CarbonylContact C-O 3.6Å; P37-Q164 VanDerWaalsContact CA-O 3.27Å; P37-Q164 WeakPolarHBondContact CA-O 3.27Å; P37-N166 HydrophobicContact CB-CB 3.9Å; P37-N166 HydrophobicContact CG-CB 4.08Å
38V95.3Very high94Very high7 Ų746.9 Ų46.94%0.04225%0.249CC..EExtended strand (participates in β ladder)trans-74.7122.6164.1-175.90000108R29 P30 V31 V40 W69 W95 Q164 N166R29-V38 HydrophobicContact CB-CG2 4.34Å; P30-V38 HydrophobicContact CG-CG2 4.46Å; V31-V38 HydrophobicContact CG1-CG2 3.38Å; V38-V40 HydrophobicContact CG1-CG2 3.95Å; V38-V40 PolarHBondContact O-N 3.46Å; V38-W69 HydrophobicContact CG1-CB 4.26Å; V38-W95 HydrophobicContact CB-CH2 4.18Å; V38-W95 HydrophobicContact CG1-CH2 4.03Å; V38-W95 HydrophobicContact CG1-CZ3 3.97Å; V38-W95 HydrophobicContact CG2-CH2 4.13Å; V38-Q164 PolarHBondContact N-O 3.45Å; V38-N166 PolarHBondContact O-N 3.07Å
39N95.5Very high94.1Very high82 Ų8243 Ų4344%0.43923%0.229SC..EExtended strand (participates in β ladder)trans-79.9111.7173-72.2-24.4000109.2P37 N166 M168P37-N39 PolarHBondContact O-N 3.42Å; N39-N166 WeakPolarHBondContact OD1-CB 3.27Å; N39-N166 PolarHBondContact OD1-ND2 3.44Å; N39-M168 HydrophobicContact CB-CE 3.85Å
40V96.4Very high94.1Very high0 Ų044.2 Ų44.20%024%0.238CC..EExtended strand (participates in β ladder)trans-113.4121.8177.5-175.30000108.6V38 Y67 W69 P97 I99 I165 N166 L167 M168V38-V40 HydrophobicContact CG1-CG2 3.95Å; V38-V40 PolarHBondContact O-N 3.46Å; V40-Y67 HydrophobicContact CG1-CD1 4.36Å; V40-W69 HydrophobicContact CG2-CB 4.13Å; V40-P97 HydrophobicContact CG1-CG 4.18Å; V40-P97 HydrophobicContact CG2-CB 4.25Å; V40-P97 HydrophobicContact CG2-CG 4.37Å; V40-I99 HydrophobicContact CB-CD1 4.4Å; V40-I99 HydrophobicContact CG1-CD1 3.66Å; V40-I165 HydrophobicContact CG2-CG2 4.09Å; V40-N166 PolarHBondContact N-O 3.26Å; V40-L167 HydrophobicContact CB-CD1 4.23Å; V40-L167 HydrophobicContact CG1-CD1 4.26Å; V40-L167 WeakPolarHBondContact O-CA 3.27Å; V40-M168 PolarHBondContact O-N 2.93Å
41T97.2Very high94.1Very high39 Ų3947.6 Ų47.624%0.23926%0.256CS..EExtended strand (participates in β ladder)trans-95.7124.2174.9-530000109Y67 D68 M168 G170T41-Y67 WeakPolarHBondContact O-CA 3.36Å; T41-D68 PolarHBondContact N-O 3Å; T41-D68 PolarHBondContact O-N 3.31Å; T41-M168 WeakPolarHBondContact CA-O 3.26Å; T41-G170 VanDerWaalsContact CG2-CA 3.42Å
42L96.6Very high94.1Very high0 Ų047 Ų470%025%0.252CS..EExtended strand (participates in β ladder)trans-111.7109.5179.9177.964.9000110.5R66 Y67 I99 F155 L167 M168 G170 V207 F209L42-R66 CarbonylContact C-O 3.57Å; L42-R66 WeakPolarHBondContact CA-O 3.43Å; L42-Y67 HydrophobicContact CD1-CD1 3.87Å; L42-Y67 HydrophobicContact CD1-CE1 3.52Å; L42-Y67 HydrophobicContact CD1-CE2 4.44Å; L42-Y67 HydrophobicContact CD1-CG 4.46Å; L42-I99 HydrophobicContact CD2-CG2 4.18Å; L42-F155 HydrophobicContact CD2-CB 3.48Å; L42-F155 VanDerWaalsContact CD2-CB 3.48Å; L42-F155 HydrophobicContact CD2-CD2 4.16Å; L42-F155 HydrophobicContact CD2-CG 3.84Å; L42-L167 HydrophobicContact CB-CD1 3.95Å; L42-M168 PolarHBondContact N-O 3.35Å; L42-G170 WeakPolarHBondContact O-CA 3.45Å; L42-G170 PolarHBondContact O-N 3.45Å; L42-V207 HydrophobicContact CD2-CB 4.42Å; L42-F209 HydrophobicContact CD2-CE2 3.98Å; L42-F209 HydrophobicContact CG-CE2 4.12Å; L42-F209 HydrophobicContact CG-CZ 4.27Å; L42-F209 WeakPolarHBondContact O-CZ 3.39Å
43G95.9Very high94.2Very high1 Ų143.6 Ų43.61%0.0123%0.234CC..EExtended strand (participates in β ladder)trans-102.1165.3169.100000112.3R66 K171G43-R66 PolarHBondContact N-O 2.96Å; G43-R66 PolarHBondContact O-N 3.4Å; G43-K171 VanDerWaalsContact CA-O 3.27Å; G43-K171 WeakPolarHBondContact CA-O 3.47Å
44I94.9Very high93.9Very high1 Ų141 Ų411%0.00522%0.219CC..EExtended strand (participates in β ladder)trans-133.9129.3175.6-163.2171000109.8V63 L65 L153 K171 V172 V173 F209I44-V63 HydrophobicContact CD1-CB 4.08Å; I44-V63 HydrophobicContact CD1-CG1 3.88Å; I44-V63 HydrophobicContact CD1-CG2 4.42Å; I44-V63 HydrophobicContact CG1-CB 3.93Å; I44-V63 HydrophobicContact CG1-CG1 4.13Å; I44-L65 HydrophobicContact CD1-CD2 4.46Å; I44-L65 HydrophobicContact CG1-CD2 4.28Å; I44-L153 HydrophobicContact CD1-CD1 3.96Å; I44-K171 PolarHBondContact N-O 2.77Å; I44-V172 HydrophobicContact CG2-CB 4.44Å; I44-V172 HydrophobicContact CG2-CG1 4.08Å; I44-V172 HydrophobicContact CG2-CG2 4.13Å; I44-V172 WeakPolarHBondContact O-CA 3.31Å; I44-V173 PolarHBondContact O-N 3.22Å; I44-F209 HydrophobicContact CB-CD1 4.33Å; I44-F209 HydrophobicContact CB-CE1 4.12Å; I44-F209 HydrophobicContact CB-CE2 4.36Å; I44-F209 HydrophobicContact CB-CZ 4.13Å; I44-F209 HydrophobicContact CD1-CD2 4.37Å; I44-F209 HydrophobicContact CD1-CG 4.43Å; I44-F209 HydrophobicContact CG2-CD1 3.49Å; I44-F209 VanDerWaalsContact CG2-CD1 3.49Å; I44-F209 HydrophobicContact CG2-CD2 4.46Å; I44-F209 HydrophobicContact CG2-CE1 3.56Å; I44-F209 HydrophobicContact CG2-CG 3.97Å; I44-F209 HydrophobicContact CG2-CZ 4.09Å
45D95.1Very high93.7Very high8 Ų838 Ų384%0.04320%0.203CC..EExtended strand (participates in β ladder)trans-106.2105.4168.8-54.4-21.7000107.6Q47 V63 W64 R66 V173D45-Q47 PolarHBondContact O-N 3.24Å; D45-V63 CarbonylContact O-C 3.59Å; D45-V63 WeakPolarHBondContact O-CA 3.32Å; D45-W64 HydrophobicContact CB-CB 4.13Å; D45-W64 PolarHBondContact N-O 2.93Å; D45-W64 PolarHBondContact O-N 3.42Å; D45-R66 IonicContact OD1-CZ 3.19Å; D45-R66 IonicContact OD1-NH2 2.87Å; D45-R66 PolarHBondContact OD1-NH2 2.85Å; D45-R66 IonicContact OD2-CZ 3.84Å; D45-R66 IonicContact OD2-NH2 3.71Å; D45-R66 PolarHBondContact OD2-NH2 2.89Å; D45-V173 WeakPolarHBondContact CA-O 3.49Å; D45-V173 HydrophobicContact CB-CB 4.28Å; D45-V173 WeakPolarHBondContact OD1-CB 3.24Å; D45-V173 WeakPolarHBondContact OD1-CG2 3.38Å
46L95.7Very high93.5Very high2 Ų237.9 Ų37.91%0.0120%0.195CC..EExtended strand (participates in β ladder)trans-81.8108-179.2178.963.7000109.3T61 V63 V173 Y177 L185 V188 I211L46-T61 HydrophobicContact CD1-CG2 4.28Å; L46-V63 HydrophobicContact CD1-CG1 3.7Å; L46-V173 PolarHBondContact N-O 2.92Å; L46-V173 VanDerWaalsContact N-O 3.08Å; L46-Y177 HydrophobicContact CD2-CD2 4.16Å; L46-Y177 HydrophobicContact CD2-CE2 4.14Å; L46-Y177 HydrophobicContact CG-CD2 3.96Å; L46-Y177 HydrophobicContact CG-CE2 4.21Å; L46-L185 HydrophobicContact CD2-CD1 3.99Å; L46-L185 HydrophobicContact CD2-CD2 3.89Å; L46-V188 HydrophobicContact CD2-CG2 3.93Å; L46-I211 HydrophobicContact CD1-CD1 4.37Å
47Q94.3Very high93.4Very high21 Ų2136 Ų3610%0.09819%0.186CC..EExtended strand (participates in β ladder)trans-84.5-47.4-177.7-61.6-59.3-34.900112D45 N62 W64 T176 Y177 I178D45-Q47 PolarHBondContact O-N 3.24Å; Q47-N62 HydrophobicContact CB-CB 4.44Å; Q47-N62 WeakPolarHBondContact CB-O 3.41Å; Q47-N62 PolarHBondContact N-O 3.09Å; Q47-W64 HydrophobicContact CG-CD2 4.22Å; Q47-W64 HydrophobicContact CG-CG 4.27Å; Q47-W64 HydrophobicContact CG-CZ2 4.48Å; Q47-T176 VanDerWaalsContact CD-OG1 3.28Å; Q47-T176 PolarHBondContact NE2-OG1 2.86Å; Q47-T176 PolarHBondContact OE1-O 3.19Å; Q47-T176 PolarHBondContact OE1-OG1 3.01Å; Q47-Y177 WeakPolarHBondContact O-CA 3.42Å; Q47-I178 PolarHBondContact O-N 3.29Å
48Q94.6Very high93.4Very high67 Ų6735.9 Ų35.931%0.31318%0.182SC..EExtended strand (participates in β ladder)trans-160.1152.6177.557177.1100111.1I50 N62 I178Q48-I50 HydrophobicContact CG-CG1 4.21Å; Q48-N62 HydrophobicContact CG-CB 3.56Å; Q48-N62 PolarHBondContact N-O 2.87Å; Q48-N62 PolarHBondContact O-N 2.77Å; Q48-I178 HydrophobicContact CB-CB 4.37Å
49I95.4Very high93.3Very high4 Ų435.6 Ų35.62%0.02118%0.18CC..EExtended strand (participates in β ladder)trans-92.1115.5163.7-61.6172.5000105.9I52 T61 Y177 N180 I211 V213I49-I52 HydrophobicContact CG2-CD1 4.11Å; I49-I52 HydrophobicContact CG2-CG1 3.82Å; I49-T61 HydrophobicContact CG1-CG2 4.31Å; I49-Y177 HydrophobicContact CD1-CE2 4.46Å; I49-Y177 HydrophobicContact CG1-CE2 4.13Å; I49-N180 PolarHBondContact O-ND2 3.43Å; I49-I211 HydrophobicContact CD1-CG2 4.04Å; I49-V213 HydrophobicContact CD1-CG1 3.48Å; I49-V213 VanDerWaalsContact CD1-CG1 3.48Å
50I93.4Very high93.3Very high63 Ų6334 Ų3432%0.32317%0.17SC..EExtended strand (participates in β ladder)trans-77.8-51-176.6-65171.4000109Q48 Q60 N62 I132Q48-I50 HydrophobicContact CG-CG1 4.21Å; I50-Q60 HydrophobicContact CB-CB 4.33Å; I50-Q60 HydrophobicContact CB-CG 4.07Å; I50-Q60 HydrophobicContact CD1-CG 4.1Å; I50-Q60 HydrophobicContact CG2-CG 4.35Å; I50-Q60 PolarHBondContact N-O 2.88Å; I50-N62 HydrophobicContact CD1-CB 4.16Å; I50-N62 HydrophobicContact CG1-CB 4.45Å; I50-I132 HydrophobicContact CD1-CD1 4.24Å; I50-I132 HydrophobicContact CD1-CG1 4.28Å; I50-I132 HydrophobicContact CD1-CG2 4.04Å
51D93.1Very high93.2Very high79 Ų7934 Ų3442%0.42217%0.17SC..EExtended strand (participates in β ladder)trans-157.6146.5-175.7-167.318.9000110.6Q60D51-Q60 HydrophobicContact CB-CB 4.39Å; D51-Q60 PolarHBondContact N-O 3.46Å; D51-Q60 PolarHBondContact O-N 3.36Å
52I93.1Very high93.1Very high2 Ų233.8 Ų33.81%0.0117%0.168CC..EExtended strand (participates in β ladder)trans-121.998.3168.2-60.7-175.4000105.3I49 E54 L58 I59 I139 W183 V213I49-I52 HydrophobicContact CG2-CD1 4.11Å; I49-I52 HydrophobicContact CG2-CG1 3.82Å; I52-E54 HydrophobicContact CG2-CG 4.5Å; I52-E54 PolarHBondContact O-N 3.04Å; I52-E54 VanDerWaalsContact O-N 3.17Å; I52-E54 VanDerWaalsContact O-OE2 3.1Å; I52-L58 CarbonylContact C-O 3.53Å; I52-I59 HydrophobicContact CD1-CD1 4.04Å; I52-I59 HydrophobicContact CG1-CD1 4.03Å; I52-I59 HydrophobicContact CG1-CG1 3.96Å; I52-I139 HydrophobicContact CG2-CD1 3.92Å; I52-W183 HydrophobicContact CB-CZ2 4.1Å; I52-W183 HydrophobicContact CD1-CD2 3.78Å; I52-W183 HydrophobicContact CD1-CE3 4.3Å; I52-W183 HydrophobicContact CD1-CG 4.01Å; I52-W183 HydrophobicContact CD1-CZ2 4.12Å; I52-W183 HydrophobicContact CG2-CZ2 4.13Å; I52-V213 HydrophobicContact CD1-CG2 3.85Å
53D90.6Very high93Very high41 Ų4133.8 Ų33.822%0.21917%0.168CC..EExtended strand (participates in β ladder)trans-82.595.3179.5-176.7-20.1000108.5K55 N56 Q57 L58D53-K55 PolarHBondContact O-N 2.89Å; D53-K55 WeakPolarHBondContact OD1-CB 3.17Å; D53-K55 PolarHBondContact OD1-N 3.26Å; D53-K55 VanDerWaalsContact OD1-N 3.13Å; D53-N56 PolarHBondContact OD1-N 2.89Å; D53-N56 WeakPolarHBondContact OD2-CB 3.28Å; D53-N56 PolarHBondContact OD2-ND2 3.48Å; D53-Q57 WeakPolarHBondContact O-CA 3.16Å; D53-Q57 PolarHBondContact O-N 2.98Å; D53-L58 HydrophobicContact CB-CB 4.29Å; D53-L58 PolarHBondContact N-O 3.26Å; D53-L58 PolarHBondContact O-N 3.32Å
54E87.3Confident92.9Very high30 Ų3038.4 Ų38.414%0.1419%0.185CC..THydrogen-bonded Turntrans-66.1-33.3-179-55.395.1151.100111.6I52 Q57 I139 R215 P271I52-E54 HydrophobicContact CG2-CG 4.5Å; I52-E54 PolarHBondContact O-N 3.04Å; I52-E54 VanDerWaalsContact O-N 3.17Å; I52-E54 VanDerWaalsContact O-OE2 3.1Å; E54-Q57 PolarHBondContact O-N 2.92Å; E54-I139 HydrophobicContact CB-CG2 4.25Å; E54-I139 HydrophobicContact CG-CG2 4.09Å; E54-R215 IonicContact OE1-CZ 3.58Å; E54-R215 IonicContact OE1-NH1 2.68Å; E54-R215 PolarHBondContact OE1-NH1 2.96Å; E54-R215 IonicContact OE1-NH2 2.8Å; E54-R215 PolarHBondContact OE1-NH2 3.42Å; E54-P271 WeakPolarHBondContact O-CB 3.33Å; E54-P271 WeakPolarHBondContact O-CG 3.42Å
55K84.4Confident92.9Very high100 Ų10038.5 Ų38.544%0.43519%0.186SC..THydrogen-bonded Turntrans-64.6-46.4-177.5-179.1178.2179.91730111.6D53D53-K55 PolarHBondContact O-N 2.89Å; D53-K55 WeakPolarHBondContact OD1-CB 3.17Å; D53-K55 PolarHBondContact OD1-N 3.26Å; D53-K55 VanDerWaalsContact OD1-N 3.13Å
56N87.6Confident92.8Very high101 Ų10141.4 Ų41.454%0.5420%0.196SC..THydrogen-bonded Turntrans-93.50.2-179.7-63.2-49.8000113.4D53 L58D53-N56 PolarHBondContact OD1-N 2.89Å; D53-N56 WeakPolarHBondContact OD2-CB 3.28Å; D53-N56 PolarHBondContact OD2-ND2 3.48Å; N56-L58 HydrophobicContact CB-CD1 4.12Å; N56-L58 HydrophobicContact CB-CG 4.14Å
57Q91Very high92.8Very high59 Ų5941.6 Ų41.628%0.27620%0.197SC..THydrogen-bonded Turntrans59.944.8-179.1-59.1-168-37.300113.2D53 E54 C137D53-Q57 WeakPolarHBondContact O-CA 3.16Å; D53-Q57 PolarHBondContact O-N 2.98Å; E54-Q57 PolarHBondContact O-N 2.92Å; Q57-C137 CarbonylContact C-O 3.57Å; Q57-C137 WeakPolarHBondContact CB-O 3.48Å; Q57-C137 PolarHBondContact O-N 3.09Å; Q57-C137 VanDerWaalsContact O-O 3.12Å
58L93.1Very high92.9Very high46 Ų4643 Ų4324%0.24121%0.205CC..EExtended strand (participates in β ladder)trans-122.2146.2-177.4-58.8178.9000111I52 D53 N56 A105 S135I52-L58 CarbonylContact C-O 3.53Å; D53-L58 HydrophobicContact CB-CB 4.29Å; D53-L58 PolarHBondContact N-O 3.26Å; D53-L58 PolarHBondContact O-N 3.32Å; N56-L58 HydrophobicContact CB-CD1 4.12Å; N56-L58 HydrophobicContact CB-CG 4.14Å; L58-A105 HydrophobicContact CD2-CB 3.31Å; L58-S135 WeakPolarHBondContact CA-O 3.46Å
59I94.8Very high93Very high1 Ų140.1 Ų40.11%0.00519%0.191CC..EExtended strand (participates in β ladder)trans-119.9132165.4-179.4167.6000109.1I52 T61 K134 S135 C137 C151 I211I52-I59 HydrophobicContact CD1-CD1 4.04Å; I52-I59 HydrophobicContact CG1-CD1 4.03Å; I52-I59 HydrophobicContact CG1-CG1 3.96Å; I59-T61 HydrophobicContact CD1-CG2 3.98Å; I59-T61 HydrophobicContact CG1-CG2 3.82Å; I59-K134 WeakPolarHBondContact O-CA 3.44Å; I59-S135 WeakPolarHBondContact CG2-OG 3.34Å; I59-S135 PolarHBondContact N-O 2.72Å; I59-S135 PolarHBondContact O-N 2.88Å; I59-C137 HydrophobicContact CB-CB 4.49Å; I59-C137 HydrophobicContact CG2-CB 3.99Å; I59-C151 HydrophobicContact CB-CB 4.47Å; I59-C151 HydrophobicContact CD1-CB 3.97Å; I59-C151 HydrophobicContact CG2-CB 3.88Å; I59-I211 HydrophobicContact CD1-CD1 4.29Å; I59-I211 HydrophobicContact CD1-CG2 4.43Å
60Q94.5Very high93Very high48 Ų4844.8 Ų44.822%0.22421%0.211CC..EExtended strand (participates in β ladder)trans-110.8120.2175.3-171.8174.4-22.600109.8I50 D51 I132 I133 K134I50-Q60 HydrophobicContact CB-CB 4.33Å; I50-Q60 HydrophobicContact CB-CG 4.07Å; I50-Q60 HydrophobicContact CD1-CG 4.1Å; I50-Q60 HydrophobicContact CG2-CG 4.35Å; I50-Q60 PolarHBondContact N-O 2.88Å; D51-Q60 HydrophobicContact CB-CB 4.39Å; D51-Q60 PolarHBondContact N-O 3.46Å; D51-Q60 PolarHBondContact O-N 3.36Å; Q60-I132 HydrophobicContact CG-CG2 3.92Å; Q60-I133 WeakPolarHBondContact CA-O 3.41Å; Q60-K134 HydrophobicContact CB-CG 4.26Å; Q60-K134 HydrophobicContact CG-CG 3.94Å; Q60-K134 VanDerWaalsContact OE1-CE 3.25Å
61T94.9Very high93.1Very high0 Ų041.8 Ų41.80%020%0.196CC..EExtended strand (participates in β ladder)trans-127.1147.1-178.657.20000111.9L46 I49 I59 I132 I133 I211L46-T61 HydrophobicContact CD1-CG2 4.28Å; I49-T61 HydrophobicContact CG1-CG2 4.31Å; I59-T61 HydrophobicContact CD1-CG2 3.98Å; I59-T61 HydrophobicContact CG1-CG2 3.82Å; T61-I132 CarbonylContact O-C 3.6Å; T61-I132 WeakPolarHBondContact O-CA 3.48Å; T61-I133 PolarHBondContact N-O 3.14Å; T61-I133 PolarHBondContact O-N 3.27Å; T61-I211 HydrophobicContact CG2-CD1 3.64Å
62N93.9Very high93Very high36 Ų3640.6 Ų40.619%0.19319%0.187CC..EExtended strand (participates in β ladder)trans-99.4114.9166.3-176.24.7000108Q47 Q48 I50Q47-N62 HydrophobicContact CB-CB 4.44Å; Q47-N62 WeakPolarHBondContact CB-O 3.41Å; Q47-N62 PolarHBondContact N-O 3.09Å; Q48-N62 HydrophobicContact CG-CB 3.56Å; Q48-N62 PolarHBondContact N-O 2.87Å; Q48-N62 PolarHBondContact O-N 2.77Å; I50-N62 HydrophobicContact CD1-CB 4.16Å; I50-N62 HydrophobicContact CG1-CB 4.45Å
63V94.6Very high93Very high0 Ų045.9 Ų45.90%021%0.208CC..EExtended strand (participates in β ladder)trans-132.5147.8-175.3-59.90000109.8I44 D45 L46 L65 A131 I133I44-V63 HydrophobicContact CD1-CB 4.08Å; I44-V63 HydrophobicContact CD1-CG1 3.88Å; I44-V63 HydrophobicContact CD1-CG2 4.42Å; I44-V63 HydrophobicContact CG1-CB 3.93Å; I44-V63 HydrophobicContact CG1-CG1 4.13Å; D45-V63 CarbonylContact O-C 3.59Å; D45-V63 WeakPolarHBondContact O-CA 3.32Å; L46-V63 HydrophobicContact CD1-CG1 3.7Å; V63-L65 HydrophobicContact CG2-CD2 3.99Å; V63-L65 HydrophobicContact CG2-CG 4.32Å; V63-A131 HydrophobicContact CG2-CB 4.4Å; V63-A131 PolarHBondContact N-O 3.24Å; V63-A131 PolarHBondContact O-N 3.48Å; V63-A131 VanDerWaalsContact O-O 3.12Å; V63-I133 HydrophobicContact CG2-CD1 3.4Å; V63-I133 VanDerWaalsContact CG2-CD1 3.4Å; V63-I133 HydrophobicContact CG2-CG1 3.87Å
64W94.6Very high93.1Very high97 Ų9744 Ų4437%0.36720%0.198SC..EExtended strand (participates in β ladder)trans-102.5124163.9-54-13.1000108D45 Q47 L128D45-W64 HydrophobicContact CB-CB 4.13Å; D45-W64 PolarHBondContact N-O 2.93Å; D45-W64 PolarHBondContact O-N 3.42Å; Q47-W64 HydrophobicContact CG-CD2 4.22Å; Q47-W64 HydrophobicContact CG-CG 4.27Å; Q47-W64 HydrophobicContact CG-CZ2 4.48Å; W64-L128 HydrophobicContact CB-CD1 3.9Å; W64-L128 HydrophobicContact CB-CG 4.1Å; W64-L128 HydrophobicContact CE3-CD2 3.91Å; W64-L128 HydrophobicContact CE3-CG 4.49Å; W64-L128 HydrophobicContact CZ3-CD2 4.48Å
65L94.1Very high93.4Very high3 Ų347.6 Ų47.62%0.01621%0.21CC..EExtended strand (participates in β ladder)trans-91.1119.4-180-61176.8000107.7I44 V63 Y67 T112 L128 P129 A131 I133 F155I44-L65 HydrophobicContact CD1-CD2 4.46Å; I44-L65 HydrophobicContact CG1-CD2 4.28Å; V63-L65 HydrophobicContact CG2-CD2 3.99Å; V63-L65 HydrophobicContact CG2-CG 4.32Å; L65-Y67 HydrophobicContact CB-CD2 4.22Å; L65-Y67 HydrophobicContact CB-CE2 3.44Å; L65-Y67 VanDerWaalsContact CB-CE2 3.44Å; L65-Y67 HydrophobicContact CD1-CE2 4.29Å; L65-Y67 WeakPolarHBondContact CD1-OH 3.41Å; L65-T112 HydrophobicContact CD1-CG2 4.08Å; L65-L128 WeakPolarHBondContact O-CA 3.38Å; L65-P129 HydrophobicContact CB-CG 4.4Å; L65-P129 PolarHBondContact N-O 3.42Å; L65-P129 WeakPolarHBondContact O-CD 3.44Å; L65-A131 HydrophobicContact CD1-CB 4.38Å; L65-I133 HydrophobicContact CD1-CD1 4.23Å; L65-I133 HydrophobicContact CD2-CD1 4.35Å; L65-F155 HydrophobicContact CD1-CE1 3.99Å; L65-F155 HydrophobicContact CD1-CZ 4.3Å; L65-F155 HydrophobicContact CD2-CE1 4.16Å; L65-F155 HydrophobicContact CD2-CE2 4.23Å; L65-F155 HydrophobicContact CD2-CZ 3.71Å
66R94.7Very high93.8Very high70 Ų7043.8 Ų43.826%0.26419%0.193SC..EExtended strand (participates in β ladder)trans-97.5114.3179.3-170.9177.1-57.7153.310.9109.5L42 G43 D45 L128L42-R66 CarbonylContact C-O 3.57Å; L42-R66 WeakPolarHBondContact CA-O 3.43Å; G43-R66 PolarHBondContact N-O 2.96Å; G43-R66 PolarHBondContact O-N 3.4Å; D45-R66 IonicContact OD1-CZ 3.19Å; D45-R66 IonicContact OD1-NH2 2.87Å; D45-R66 PolarHBondContact OD1-NH2 2.85Å; D45-R66 IonicContact OD2-CZ 3.84Å; D45-R66 IonicContact OD2-NH2 3.71Å; D45-R66 PolarHBondContact OD2-NH2 2.89Å; R66-L128 HydrophobicContact CB-CD1 3.67Å; R66-L128 HydrophobicContact CG-CD1 4.07Å
67Y95.5Very high94.1Very high5 Ų545.2 Ų45.22%0.0219%0.194CC..EExtended strand (participates in β ladder)trans-107.5123.3174.3-60-90.1000109.2V40 T41 L42 L65 P97 I99 S126 W127 P129V40-Y67 HydrophobicContact CG1-CD1 4.36Å; T41-Y67 WeakPolarHBondContact O-CA 3.36Å; L42-Y67 HydrophobicContact CD1-CD1 3.87Å; L42-Y67 HydrophobicContact CD1-CE1 3.52Å; L42-Y67 HydrophobicContact CD1-CE2 4.44Å; L42-Y67 HydrophobicContact CD1-CG 4.46Å; L65-Y67 HydrophobicContact CB-CD2 4.22Å; L65-Y67 HydrophobicContact CB-CE2 3.44Å; L65-Y67 VanDerWaalsContact CB-CE2 3.44Å; L65-Y67 HydrophobicContact CD1-CE2 4.29Å; L65-Y67 WeakPolarHBondContact CD1-OH 3.41Å; Y67-P97 HydrophobicContact CD1-CG 4.5Å; Y67-I99 HydrophobicContact CD1-CD1 3.74Å; Y67-I99 HydrophobicContact CE1-CB 3.83Å; Y67-I99 HydrophobicContact CE1-CD1 3.55Å; Y67-I99 HydrophobicContact CE1-CG1 4.28Å; Y67-I99 HydrophobicContact CE1-CG2 3.99Å; Y67-S126 WeakPolarHBondContact O-CA 3.28Å; Y67-W127 HydrophobicContact CD2-CD2 4.24Å; Y67-W127 AromaticContact CD2-CE3 3.45Å; Y67-W127 HydrophobicContact CD2-CE3 3.45Å; Y67-W127 VanDerWaalsContact CD2-CE3 3.45Å; Y67-W127 AromaticContact CD2-CZ3 3.84Å; Y67-W127 HydrophobicContact CD2-CZ3 3.84Å; Y67-W127 AromaticContact CE2-CE3 3.91Å; Y67-W127 HydrophobicContact CE2-CE3 3.91Å; Y67-W127 AromaticContact CE2-CZ3 3.8Å; Y67-W127 HydrophobicContact CE2-CZ3 3.8Å; Y67-W127 AromaticContact CG-CE3 3.93Å; Y67-W127 HydrophobicContact CG-CE3 3.93Å; Y67-W127 HydrophobicContact CG-CZ3 4.43Å; Y67-W127 PolarHBondContact N-O 3.42Å; Y67-W127 PolarHBondContact O-N 2.83Å; Y67-P129 HydrophobicContact CD2-CG 4.18Å; Y67-P129 HydrophobicContact CE2-CG 3.85Å
68D96.3Very high94.1Very high50 Ų5043 Ų4327%0.26719%0.185SC..EExtended strand (participates in β ladder)trans-123.6121.5172.3-60.5-58.8000109.5T41 I125 S126T41-D68 PolarHBondContact N-O 3Å; T41-D68 PolarHBondContact O-N 3.31Å; D68-I125 WeakPolarHBondContact CA-O 3.46Å; D68-S126 VanDerWaalsContact OD1-CB 3.3Å; D68-S126 WeakPolarHBondContact OD1-CB 3.46Å; D68-S126 PolarHBondContact OD1-OG 3.35Å
69W96Very high94Very high8 Ų847.5 Ų47.53%0.0321%0.205CC..EExtended strand (participates in β ladder)trans-142.8170.8173.672.8100000110.7V38 V40 I91 I94 W95 I125 W127V38-W69 HydrophobicContact CG1-CB 4.26Å; V40-W69 HydrophobicContact CG2-CB 4.13Å; W69-I91 HydrophobicContact CH2-CD1 4.04Å; W69-I94 HydrophobicContact CZ2-CD1 4.34Å; W69-W95 AromaticContact CD1-CZ3 3.93Å; W69-W95 HydrophobicContact CG-CZ3 4.43Å; W69-W95 WeakPolarHBondContact CZ2-O 3.29Å; W69-W95 AromaticContact NE1-CE3 3.74Å; W69-W95 AromaticContact NE1-CZ3 3.93Å; W69-I125 HydrophobicContact CD2-CB 4.06Å; W69-I125 HydrophobicContact CD2-CG2 4.41Å; W69-I125 HydrophobicContact CE3-CB 4.36Å; W69-I125 HydrophobicContact CE3-CG2 4.42Å; W69-I125 HydrophobicContact CH2-CB 4.23Å; W69-I125 HydrophobicContact CH2-CG2 3.52Å; W69-I125 HydrophobicContact CZ2-CB 3.91Å; W69-I125 HydrophobicContact CZ2-CD1 3.99Å; W69-I125 HydrophobicContact CZ2-CG2 3.49Å; W69-I125 VanDerWaalsContact CZ2-CG2 3.49Å; W69-I125 HydrophobicContact CZ3-CB 4.43Å; W69-I125 HydrophobicContact CZ3-CG2 4Å; W69-I125 PolarHBondContact N-O 2.91Å; W69-I125 VanDerWaalsContact N-O 3.1Å; W69-I125 PolarHBondContact O-N 3.15Å; W69-W127 HydrophobicContact CH2-CB 3.96Å; W69-W127 HydrophobicContact CZ3-CB 3.79Å
70K95.7Very high93.7Very high102 Ų10253 Ų5344%0.44323%0.23SC..EExtended strand (participates in β ladder)trans-113.7132.6177.9-163.9174.9-167.7177.40110.1R75 D122 G123K70-R75 VanDerWaalsContact CE-NH2 3.3Å; K70-D122 WeakPolarHBondContact CE-O 3.46Å; K70-G123 CarbonylContact C-O 3.59Å; K70-G123 WeakPolarHBondContact CA-O 3.43Å
71D95Very high93.3Very high0 Ų051.2 Ų51.20%022%0.222CC..  trans-111.2134172.7-165.8-37.2000109.6Y24 P30 Y73 L74 R75 G123 I125Y24-D71 WeakPolarHBondContact CE2-OD2 3.47Å; Y24-D71 PolarHBondContact OH-OD2 2.87Å; P30-D71 HydrophobicContact CB-CB 3.96Å; P30-D71 WeakPolarHBondContact CB-OD1 3.31Å; P30-D71 WeakPolarHBondContact CB-OD2 3.47Å; P30-D71 HydrophobicContact CG-CB 4.27Å; D71-Y73 WeakPolarHBondContact OD1-CB 3.33Å; D71-Y73 PolarHBondContact OD1-N 3.3Å; D71-L74 HydrophobicContact CB-CB 4.26Å; D71-L74 HydrophobicContact CB-CD1 4.38Å; D71-L74 HydrophobicContact CB-CG 4.44Å; D71-R75 PolarHBondContact O-NE 2.94Å; D71-G123 PolarHBondContact N-O 3.4Å; D71-G123 WeakPolarHBondContact O-CA 3.41Å; D71-I125 HydrophobicContact CB-CD1 3.63Å; D71-I125 HydrophobicContact CB-CG1 4.3Å
72K92Very high92.9Very high54 Ų5453.4 Ų53.424%0.23524%0.244CC..SBendtrans-81.4-29.917873.9173.3-173.4-1780113V31 D32 L74V31-K72 WeakPolarHBondContact O-CD 3.19Å; V31-K72 WeakPolarHBondContact O-CE 3.46Å; V31-K72 PolarHBondContact O-NZ 3.26Å; D32-K72 HydrophobicContact CB-CD 4.48Å; D32-K72 WeakPolarHBondContact OD1-CD 3.28Å; K72-L74 VanDerWaalsContact C-N 3.34Å
73Y91.8Very high92.7Very high113 Ų11357.1 Ų57.144%0.44326%0.264SS..SBendtrans-80.1-22.3-175.1-58.5-68.7000111.5Y24 P30 D71 R75Y24-Y73 HydrophobicContact CE2-CD2 4.37Å; P30-Y73 HydrophobicContact CB-CD2 4.15Å; P30-Y73 HydrophobicContact CB-CE2 4.44Å; D71-Y73 WeakPolarHBondContact OD1-CB 3.33Å; D71-Y73 PolarHBondContact OD1-N 3.3Å; Y73-R75 PolarHBondContact O-N 2.9Å
74L93Very high92.4Very high2 Ų258.5 Ų58.51%0.0127%0.272CS..SBendtrans-99.651.1-179.8-60.6177.2000112.7L20 Y24 D71 K72 I94 V119 G123 I125L20-L74 HydrophobicContact CB-CD2 4.36Å; Y24-L74 HydrophobicContact CD2-CD2 3.78Å; Y24-L74 HydrophobicContact CD2-CG 4.02Å; Y24-L74 HydrophobicContact CE2-CD1 3.93Å; Y24-L74 HydrophobicContact CE2-CD2 3.96Å; Y24-L74 HydrophobicContact CE2-CG 3.68Å; Y24-L74 HydrophobicContact CG-CD2 4.44Å; D71-L74 HydrophobicContact CB-CB 4.26Å; D71-L74 HydrophobicContact CB-CD1 4.38Å; D71-L74 HydrophobicContact CB-CG 4.44Å; K72-L74 VanDerWaalsContact C-N 3.34Å; L74-I94 HydrophobicContact CD1-CB 4.29Å; L74-I94 HydrophobicContact CD1-CG2 3.74Å; L74-V119 HydrophobicContact CB-CG1 3.91Å; L74-V119 HydrophobicContact CD1-CG1 4.42Å; L74-V119 HydrophobicContact CD1-CG2 4.45Å; L74-G123 WeakPolarHBondContact O-CA 3.29Å; L74-I125 HydrophobicContact CD1-CD1 3.72Å
75R93.4Very high92.3Very high104 Ų10458.8 Ų58.839%0.39228%0.28SS..  trans-117.1142.8176.4-62-174.2-172.7164.510.4110.9K70 D71 Y73 D122K70-R75 VanDerWaalsContact CE-NH2 3.3Å; D71-R75 PolarHBondContact O-NE 2.94Å; Y73-R75 PolarHBondContact O-N 2.9Å; R75-D122 PolarHBondContact NE-O 3.31Å
76W93.1Very high92.3Very high20 Ų2059.9 Ų59.98%0.07629%0.29CS..  trans-147.6163.1173.468.296.1000111.2L16 L20 Y81 V84 V87 V119 N120 H121L16-W76 HydrophobicContact CD1-CB 3.84Å; L16-W76 HydrophobicContact CD1-CD2 3.91Å; L16-W76 HydrophobicContact CD1-CE3 4.42Å; L16-W76 HydrophobicContact CD1-CG 3.64Å; L16-W76 HydrophobicContact CD2-CD2 3.94Å; L16-W76 HydrophobicContact CD2-CG 4.24Å; L16-W76 HydrophobicContact CD2-CZ2 4Å; L20-W76 HydrophobicContact CD1-CE3 3.86Å; L20-W76 HydrophobicContact CD1-CZ3 4.05Å; L20-W76 HydrophobicContact CD2-CE3 4.24Å; W76-Y81 HydrophobicContact CB-CD2 4.21Å; W76-Y81 HydrophobicContact CB-CE2 3.95Å; W76-Y81 AromaticContact CD1-CD2 3.77Å; W76-Y81 HydrophobicContact CG-CD2 4.28Å; W76-Y81 HydrophobicContact CG-CE2 4.47Å; W76-V84 PolarHBondContact NE1-O 3.44Å; W76-V87 HydrophobicContact CH2-CG2 3.86Å; W76-V87 HydrophobicContact CZ2-CG1 4.46Å; W76-V87 HydrophobicContact CZ3-CG2 4.35Å; W76-V119 HydrophobicContact CH2-CG1 4.27Å; W76-V119 WeakPolarHBondContact CH2-O 3.48Å; W76-V119 HydrophobicContact CZ3-CG1 3.89Å; W76-N120 WeakPolarHBondContact CZ3-O 3.49Å; W76-H121 HydrophobicContact CD2-CB 4.01Å; W76-H121 HydrophobicContact CG-CB 4.44Å; W76-H121 HydrophobicContact CH2-CB 4.31Å; W76-H121 VanDerWaalsContact CZ2-CA 3.48Å; W76-H121 HydrophobicContact CZ2-CB 3.72Å; W76-H121 PolarHBondContact N-O 3.07Å; W76-H121 VanDerWaalsContact N-O 3.17Å
77K93.7Very high92.2Very high131 Ų13156.6 Ų56.657%0.5728%0.278SS*.  trans-90.5116.3173.1-74.3-177.8-175.5171.50109E79 E80 Y81K77-E79 WeakPolarHBondContact CB-OE2 3.47Å; K77-E79 PolarHBondContact O-N 3.35Å; K77-E79 VanDerWaalsContact O-N 3.11Å; K77-E80 HydrophobicContact CB-CG 4.25Å; K77-E80 PolarHBondContact O-N 2.84Å; K77-E80 VanDerWaalsContact O-N 3.13Å; K77-Y81 WeakPolarHBondContact O-CD2 3.37Å
78P91.7Very high92.2Very high13 Ų1363.4 Ų63.48%0.08430%0.303CS..G310 helixtrans-54.9-30.9-178.5-2735.5000113.3E80 Y81 G82 N83 L85 H121P78-E80 PolarHBondContact O-N 3.02Å; P78-Y81 CarbonylContact O-C 3.57Å; P78-Y81 PolarHBondContact O-N 2.93Å; P78-Y81 VanDerWaalsContact O-N 3.16Å; P78-G82 PolarHBondContact O-N 2.89Å; P78-N83 VanDerWaalsContact O-CA 3.29Å; P78-N83 WeakPolarHBondContact O-CA 3.43Å; P78-N83 PolarHBondContact O-N 3.47Å; P78-L85 HydrophobicContact CB-CD2 4.05Å; P78-L85 HydrophobicContact CG-CD2 3.95Å; P78-H121 HydrophobicContact CG-CB 3.82Å
79E90.2Very high92Very high141 Ų14161.2 Ų61.266%0.65929%0.292SS*.G310 helixtrans-62.4-29.3-177.9-55.482.1-177.500112.8K77K77-E79 WeakPolarHBondContact CB-OE2 3.47Å; K77-E79 PolarHBondContact O-N 3.35Å; K77-E79 VanDerWaalsContact O-N 3.11Å
80E88.2Confident91.9Very high115 Ų11563 Ų6354%0.53730%0.304SS..G310 helixtrans-80.5-20.3-179.5-66.5175.8-163.600112.8K77 P78K77-E80 HydrophobicContact CB-CG 4.25Å; K77-E80 PolarHBondContact O-N 2.84Å; K77-E80 VanDerWaalsContact O-N 3.13Å; P78-E80 PolarHBondContact O-N 3.02Å
81Y88Confident91.7Very high12 Ų1258.4 Ų58.45%0.04728%0.284CS..G310 helixtrans-123.535.7-172-58.9-86.8000112.5Y12 L15 L16 Q19 W76 K77 P78 N83 V84Y12-Y81 WeakPolarHBondContact CB-O 3.33Å; L15-Y81 HydrophobicContact CD2-CE1 4.43Å; L15-Y81 HydrophobicContact CG-CE1 4.35Å; L16-Y81 HydrophobicContact CB-CD1 3.61Å; L16-Y81 HydrophobicContact CB-CE1 3.93Å; L16-Y81 HydrophobicContact CB-CG 4.15Å; L16-Y81 HydrophobicContact CD1-CD1 3.89Å; L16-Y81 HydrophobicContact CD1-CD2 3.88Å; L16-Y81 HydrophobicContact CD1-CE1 3.79Å; L16-Y81 HydrophobicContact CD1-CE2 3.81Å; L16-Y81 HydrophobicContact CD1-CG 3.91Å; L16-Y81 HydrophobicContact CG-CD1 4.28Å; L16-Y81 HydrophobicContact CG-CE1 4.49Å; L16-Y81 HydrophobicContact CG-CG 4.44Å; Q19-Y81 PolarHBondContact NE2-OH 3.43Å; Q19-Y81 PolarHBondContact OE1-OH 3.32Å; W76-Y81 HydrophobicContact CB-CD2 4.21Å; W76-Y81 HydrophobicContact CB-CE2 3.95Å; W76-Y81 AromaticContact CD1-CD2 3.77Å; W76-Y81 HydrophobicContact CG-CD2 4.28Å; W76-Y81 HydrophobicContact CG-CE2 4.47Å; K77-Y81 WeakPolarHBondContact O-CD2 3.37Å; P78-Y81 CarbonylContact O-C 3.57Å; P78-Y81 PolarHBondContact O-N 2.93Å; P78-Y81 VanDerWaalsContact O-N 3.16Å; Y81-N83 PolarHBondContact O-N 2.9Å; Y81-V84 WeakPolarHBondContact O-CG2 3.27Å; Y81-V84 PolarHBondContact O-N 3.21Å
82G85.4Confident91.5Very high45 Ų4564.7 Ų64.746%0.46431%0.314SS..THydrogen-bonded Turntrans65.935.8174.500000114.1P78 V84P78-G82 PolarHBondContact O-N 2.89Å; G82-V84 VanDerWaalsContact C-N 3.26Å; G82-V84 PolarHBondContact O-N 3.26Å
83N89.3Confident91.4Very high114 Ų11469.5 Ų69.561%0.6133%0.33SS*.THydrogen-bonded Turntrans59.429.9-178.8-63.5-29.7000114.6P78 Y81 L85P78-N83 VanDerWaalsContact O-CA 3.29Å; P78-N83 WeakPolarHBondContact O-CA 3.43Å; P78-N83 PolarHBondContact O-N 3.47Å; Y81-N83 PolarHBondContact O-N 2.9Å; N83-L85 PolarHBondContact O-N 3.48Å; N83-L85 VanDerWaalsContact O-N 3.13Å
84V89.3Confident91.5Very high29 Ų2964.3 Ų64.318%0.17631%0.31CS..  trans-67.2110.1169174.50000108.9L16 W76 Y81 G82 V87L16-V84 HydrophobicContact CD2-CG1 4.02Å; W76-V84 PolarHBondContact NE1-O 3.44Å; Y81-V84 WeakPolarHBondContact O-CG2 3.27Å; Y81-V84 PolarHBondContact O-N 3.21Å; G82-V84 VanDerWaalsContact C-N 3.26Å; G82-V84 PolarHBondContact O-N 3.26Å; V84-V87 HydrophobicContact CG1-CG1 3.7Å
85L92.5Very high91.6Very high103 Ų10364.4 Ų64.454%0.53931%0.311SS..  trans-88.2-28.5-177.8-63.1177000113.5P78 N83 N120 H121P78-L85 HydrophobicContact CB-CD2 4.05Å; P78-L85 HydrophobicContact CG-CD2 3.95Å; N83-L85 PolarHBondContact O-N 3.48Å; N83-L85 VanDerWaalsContact O-N 3.13Å; L85-N120 WeakPolarHBondContact O-CA 3.4Å; L85-H121 PolarHBondContact O-N 2.8Å
86A93.9Very high91.6Very high27 Ų2763.6 Ų63.622%0.22331%0.31CS..EExtended strand (participates in β ladder)trans-150.2146.3-177.400000111.7I118 V119 N120A86-I118 HydrophobicContact CB-CG2 4.12Å; A86-V119 CarbonylContact C-O 3.59Å; A86-V119 WeakPolarHBondContact CA-O 3.32Å; A86-N120 WeakPolarHBondContact CB-OD1 3.49Å
87V93.2Very high91.6Very high1 Ų163 Ų631%0.00631%0.309CS..EExtended strand (participates in β ladder)trans-129.3151.5177.8-64.90000110.8E13 L16 Y17 W76 V84 V89 V119E13-V87 HydrophobicContact CG-CG1 4.15Å; L16-V87 HydrophobicContact CD2-CG1 3.71Å; Y17-V87 HydrophobicContact CE2-CB 4.1Å; Y17-V87 HydrophobicContact CE2-CG1 4.3Å; W76-V87 HydrophobicContact CH2-CG2 3.86Å; W76-V87 HydrophobicContact CZ2-CG1 4.46Å; W76-V87 HydrophobicContact CZ3-CG2 4.35Å; V84-V87 HydrophobicContact CG1-CG1 3.7Å; V87-V89 HydrophobicContact CG2-CG2 3.95Å; V87-V119 HydrophobicContact CG2-CB 4.07Å; V87-V119 PolarHBondContact N-O 2.94Å; V87-V119 PolarHBondContact O-N 2.98Å
88R93.9Very high91.5Very high148 Ų14858.6 Ų58.656%0.55829%0.291SS*.EExtended strand (participates in β ladder)trans-104.893.8-178.2-66.291.8178.9175.12.3112.2Y17 N116 A117 I118Y17-R88 PolarHBondContact OH-N 3.06Å; Y17-R88 PolarHBondContact OH-O 2.85Å; R88-N116 HydrophobicContact CB-CB 4.27Å; R88-A117 CarbonylContact C-O 3.57Å; R88-A117 WeakPolarHBondContact CA-O 3.29Å; R88-I118 HydrophobicContact CG-CG1 4.41Å
89V92.7Very high91.6Very high4 Ų458.5 Ų58.52%0.02429%0.29CS..EExtended strand (participates in β ladder)trans-94.2134.2-174.6-168.50000110.5Y17 L21 V87 I91 R93 I94 N116 A117 V119Y17-V89 HydrophobicContact CE1-CB 4.47Å; Y17-V89 HydrophobicContact CE1-CG1 4.42Å; Y17-V89 HydrophobicContact CE1-CG2 3.87Å; L21-V89 HydrophobicContact CD1-CG1 4.35Å; L21-V89 HydrophobicContact CD2-CG1 4.42Å; V87-V89 HydrophobicContact CG2-CG2 3.95Å; V89-I91 PolarHBondContact O-N 2.67Å; V89-R93 HydrophobicContact CG1-CB 4.35Å; V89-I94 HydrophobicContact CB-CG2 4.35Å; V89-I94 HydrophobicContact CG1-CG2 3.72Å; V89-N116 CarbonylContact O-C 3.57Å; V89-N116 WeakPolarHBondContact O-CA 3.4Å; V89-A117 PolarHBondContact N-O 3.37Å; V89-A117 PolarHBondContact O-N 2.83Å; V89-V119 HydrophobicContact CB-CG2 4.28Å; V89-V119 HydrophobicContact CG2-CB 4.46Å; V89-V119 HydrophobicContact CG2-CG2 3.8Å
90P93.3Very high91.8Very high45 Ų4553.8 Ų53.829%0.29227%0.269SS..EExtended strand (participates in β ladder)trans-56.7131.3170.1-24.834.4000111.4E92 R93 N116P90-E92 PolarHBondContact O-N 3.38Å; P90-E92 VanDerWaalsContact O-N 3.11Å; P90-R93 PolarHBondContact O-N 2.96Å; P90-N116 WeakPolarHBondContact CA-OD1 3.44Å
91I92.2Very high92Very high5 Ų548.7 Ų48.73%0.02625%0.246CC..G310 helixtrans-59.7-27.6-173.3-16964.4000113.3W69 V89 R93 I94 K96 A117 W127W69-I91 HydrophobicContact CH2-CD1 4.04Å; V89-I91 PolarHBondContact O-N 2.67Å; I91-R93 PolarHBondContact O-N 3.49Å; I91-I94 HydrophobicContact CD1-CD1 4Å; I91-I94 HydrophobicContact CD1-CG1 4.03Å; I91-I94 PolarHBondContact O-N 3.4Å; I91-I94 VanDerWaalsContact O-O 3.07Å; I91-K96 HydrophobicContact CD1-CB 3.97Å; I91-K96 HydrophobicContact CG1-CB 4.1Å; I91-K96 HydrophobicContact CG1-CD 4.03Å; I91-A117 HydrophobicContact CD1-CB 4.16Å; I91-W127 HydrophobicContact CB-CZ2 4.49Å; I91-W127 HydrophobicContact CD1-CD2 3.74Å; I91-W127 HydrophobicContact CD1-CE3 4.15Å; I91-W127 HydrophobicContact CD1-CG 3.9Å; I91-W127 HydrophobicContact CG1-CD2 3.99Å; I91-W127 HydrophobicContact CG1-CE3 4.43Å; I91-W127 HydrophobicContact CG1-CG 4.46Å; I91-W127 HydrophobicContact CG1-CH2 4.38Å; I91-W127 HydrophobicContact CG1-CZ2 3.9Å; I91-W127 HydrophobicContact CG2-CZ2 4.32Å
92E90.3Very high92.3Very high133 Ų13350.5 Ų50.562%0.62125%0.253SS*.G310 helixtrans-68.4-17.3179.4-66163.5-168.300113.8P90 H114P90-E92 PolarHBondContact O-N 3.38Å; P90-E92 VanDerWaalsContact O-N 3.11Å; E92-H114 IonicContact OE1-CE1 2.77Å; E92-H114 IonicContact OE1-CG 3.05Å; E92-H114 IonicContact OE1-ND1 2.85Å; E92-H114 PolarHBondContact OE1-ND1 2.88Å
93R91.4Very high92.7Very high154 Ų15449.6 Ų49.658%0.58124%0.237SC*.G310 helixtrans-95.7-7.2-179.3-64.6-170.1177.9-165.8-0.9113.6V89 P90 I91V89-R93 HydrophobicContact CG1-CB 4.35Å; P90-R93 PolarHBondContact O-N 2.96Å; I91-R93 PolarHBondContact O-N 3.49Å
94I93.5Very high92.9Very high4 Ų445 Ų452%0.02121%0.214CC..SBendtrans-121.9160.3-178.961.4171.7000110.2L21 Y24 W69 L74 V89 I91 K96 A117 I125L21-I94 HydrophobicContact CD2-CG2 4.48Å; Y24-I94 HydrophobicContact CE1-CB 4.18Å; Y24-I94 HydrophobicContact CE1-CG2 4.39Å; W69-I94 HydrophobicContact CZ2-CD1 4.34Å; L74-I94 HydrophobicContact CD1-CB 4.29Å; L74-I94 HydrophobicContact CD1-CG2 3.74Å; V89-I94 HydrophobicContact CB-CG2 4.35Å; V89-I94 HydrophobicContact CG1-CG2 3.72Å; I91-I94 HydrophobicContact CD1-CD1 4Å; I91-I94 HydrophobicContact CD1-CG1 4.03Å; I91-I94 PolarHBondContact O-N 3.4Å; I91-I94 VanDerWaalsContact O-O 3.07Å; I94-K96 PolarHBondContact O-N 3.42Å; I94-A117 HydrophobicContact CD1-CB 3.77Å; I94-I125 HydrophobicContact CD1-CD1 4.2Å; I94-I125 HydrophobicContact CD1-CG2 4.12Å
95W94.9Very high92.9Very high5 Ų546 Ų462%0.01923%0.225CC..  trans-63.9131.2173.2179.188.1000109.5Y24 P26 I28 R29 P30 V38 W69 P97 Y160 I165Y24-W95 VanDerWaalsContact OH-CB 3.26Å; Y24-W95 WeakPolarHBondContact OH-CB 3.39Å; Y24-W95 PolarHBondContact OH-N 2.71Å; P26-W95 WeakPolarHBondContact O-CA 3.43Å; I28-W95 VanDerWaalsContact O-CD1 3.29Å; R29-W95 HydrophobicContact CG-CZ2 4.06Å; P30-W95 VanDerWaalsContact CD-CD2 3.43Å; P30-W95 HydrophobicContact CG-CD2 4.16Å; P30-W95 HydrophobicContact CG-CE3 3.77Å; P30-W95 HydrophobicContact CG-CZ3 4.24Å; V38-W95 HydrophobicContact CB-CH2 4.18Å; V38-W95 HydrophobicContact CG1-CH2 4.03Å; V38-W95 HydrophobicContact CG1-CZ3 3.97Å; V38-W95 HydrophobicContact CG2-CH2 4.13Å; W69-W95 AromaticContact CD1-CZ3 3.93Å; W69-W95 HydrophobicContact CG-CZ3 4.43Å; W69-W95 WeakPolarHBondContact CZ2-O 3.29Å; W69-W95 AromaticContact NE1-CE3 3.74Å; W69-W95 AromaticContact NE1-CZ3 3.93Å; W95-P97 HydrophobicContact CH2-CB 3.86Å; W95-P97 HydrophobicContact CZ2-CB 4.48Å; W95-P97 HydrophobicContact CZ3-CB 4.24Å; W95-P97 HydrophobicContact CZ3-CG 4.5Å; W95-Y160 HydrophobicContact CZ2-CE2 4.33Å; W95-I165 HydrophobicContact CH2-CD1 4.07Å; W95-I165 HydrophobicContact CZ2-CD1 4.1Å
96K93Very high92.6Very high87 Ų8742.8 Ų42.838%0.37821%0.209SC..  trans-124140.9174.370.3174.8-173.6166.50110.3I91 I94I91-K96 HydrophobicContact CD1-CB 3.97Å; I91-K96 HydrophobicContact CG1-CB 4.1Å; I91-K96 HydrophobicContact CG1-CD 4.03Å; I94-K96 PolarHBondContact O-N 3.42Å
97P93.9Very high91.9Very high8 Ų850.5 Ų50.55%0.05224%0.24CC..  trans-70.7146.5174.430.5-35000111.2V40 Y67 W95 I99 I165V40-P97 HydrophobicContact CG1-CG 4.18Å; V40-P97 HydrophobicContact CG2-CB 4.25Å; V40-P97 HydrophobicContact CG2-CG 4.37Å; Y67-P97 HydrophobicContact CD1-CG 4.5Å; W95-P97 HydrophobicContact CH2-CB 3.86Å; W95-P97 HydrophobicContact CZ2-CB 4.48Å; W95-P97 HydrophobicContact CZ3-CB 4.24Å; W95-P97 HydrophobicContact CZ3-CG 4.5Å; P97-I99 HydrophobicContact CB-CD1 3.95Å; P97-I99 HydrophobicContact CB-CG1 4.12Å; P97-I99 HydrophobicContact CG-CD1 3.91Å; P97-I99 HydrophobicContact CG-CG1 4.47Å; P97-I99 PolarHBondContact O-N 3.02Å; P97-I99 VanDerWaalsContact O-N 3.11Å; P97-I165 HydrophobicContact CB-CD1 4.07Å
98D91.7Very high91.2Very high37 Ų3754.3 Ų54.320%0.19826%0.263CS..  trans-87.250.3-179.867.5-21.3000112.3L100 S157 W158 T159 Y160D98-L100 PolarHBondContact O-N 3.48Å; D98-S157 PolarHBondContact OD1-OG 3.4Å; D98-S157 VanDerWaalsContact OD1-OG 3.14Å; D98-W158 PolarHBondContact O-N 2.88Å; D98-W158 PolarHBondContact OD2-N 2.92Å; D98-T159 WeakPolarHBondContact OD2-CB 3.28Å; D98-T159 PolarHBondContact OD2-N 3.07Å; D98-T159 PolarHBondContact OD2-OG1 3.41Å; D98-Y160 VanDerWaalsContact OD1-CD2 3.26Å; D98-Y160 WeakPolarHBondContact OD1-CD2 3.48Å
99I93.3Very high90.2Very high12 Ų1253 Ų536%0.06226%0.262CS..EExtended strand (participates in β ladder)trans-80112.2-179.1-65.1162000109.3V40 L42 Y67 P97 F155 G156 L167V40-I99 HydrophobicContact CB-CD1 4.4Å; V40-I99 HydrophobicContact CG1-CD1 3.66Å; L42-I99 HydrophobicContact CD2-CG2 4.18Å; Y67-I99 HydrophobicContact CD1-CD1 3.74Å; Y67-I99 HydrophobicContact CE1-CB 3.83Å; Y67-I99 HydrophobicContact CE1-CD1 3.55Å; Y67-I99 HydrophobicContact CE1-CG1 4.28Å; Y67-I99 HydrophobicContact CE1-CG2 3.99Å; P97-I99 HydrophobicContact CB-CD1 3.95Å; P97-I99 HydrophobicContact CB-CG1 4.12Å; P97-I99 HydrophobicContact CG-CD1 3.91Å; P97-I99 HydrophobicContact CG-CG1 4.47Å; P97-I99 PolarHBondContact O-N 3.02Å; P97-I99 VanDerWaalsContact O-N 3.11Å; I99-F155 HydrophobicContact CG2-CB 3.95Å; I99-F155 HydrophobicContact CG2-CD1 4.27Å; I99-G156 WeakPolarHBondContact CA-O 3.38Å; I99-L167 HydrophobicContact CD1-CD1 3.52Å; I99-L167 HydrophobicContact CG1-CD1 4.23Å
100L93Very high89.4Confident41 Ų4156.6 Ų56.622%0.21528%0.281CS..EExtended strand (participates in β ladder)trans-117.4157.6-179.2-62.3179000111.2D98 D110 F155 G156 W158D98-L100 PolarHBondContact O-N 3.48Å; L100-D110 HydrophobicContact CD2-CB 4.26Å; L100-F155 WeakPolarHBondContact O-CA 3.39Å; L100-G156 PolarHBondContact N-O 2.88Å; L100-G156 PolarHBondContact O-N 3.11Å; L100-W158 HydrophobicContact CD1-CB 4Å; L100-W158 HydrophobicContact CD1-CD2 4.3Å; L100-W158 HydrophobicContact CD1-CE3 4.39Å; L100-W158 HydrophobicContact CD1-CG 4.13Å
101L94.2Very high88.1Confident9 Ų955.5 Ų55.55%0.04728%0.275CS..EExtended strand (participates in β ladder)trans-83.2114.1171.7-179.575.5000110N103 S104 I133 L153 F155L101-N103 VanDerWaalsContact CD1-OD1 3.3Å; L101-N103 WeakPolarHBondContact CD1-OD1 3.45Å; L101-N103 PolarHBondContact O-N 3Å; L101-S104 WeakPolarHBondContact O-CB 3.42Å; L101-S104 PolarHBondContact O-N 2.78Å; L101-I133 HydrophobicContact CD2-CG2 3.37Å; L101-L153 HydrophobicContact CD1-CB 4.05Å; L101-L153 HydrophobicContact CD1-CD2 4.31Å; L101-F155 HydrophobicContact CB-CD1 4.21Å; L101-F155 HydrophobicContact CB-CE1 3.96Å; L101-F155 HydrophobicContact CD1-CD1 4.36Å; L101-F155 HydrophobicContact CD1-CD2 4.36Å; L101-F155 HydrophobicContact CD1-CE1 4.13Å; L101-F155 HydrophobicContact CD1-CE2 4.14Å; L101-F155 HydrophobicContact CD1-CG 4.47Å; L101-F155 HydrophobicContact CD1-CZ 4.02Å
102Y93Very high87.4Confident49 Ų4956.5 Ų56.519%0.19228%0.281CS..THydrogen-bonded Turntrans-68.6-33.5-177.3-69.7-6.1000113.7S104 K154 S157 W158 Y197Y102-S104 VanDerWaalsContact C-N 3.35Å; Y102-K154 HydrophobicContact CD2-CD 3.83Å; Y102-K154 HydrophobicContact CD2-CG 4.06Å; Y102-K154 PolarHBondContact N-O 3.48Å; Y102-S157 PolarHBondContact OH-O 3.41Å; Y102-W158 HydrophobicContact CD1-CE3 4.05Å; Y102-W158 HydrophobicContact CD1-CZ3 4.02Å; Y102-W158 AromaticContact CE1-CE3 3.86Å; Y102-W158 HydrophobicContact CE1-CE3 3.86Å; Y102-W158 HydrophobicContact CE1-CZ3 4.21Å; Y102-Y197 WeakPolarHBondContact CE2-OH 3.49Å
103N94.1Very high86.9Confident26 Ų2656.6 Ų56.614%0.13928%0.276CS..THydrogen-bonded Turntrans-99.128.4178.967.4-51.5000112.8L101 S135 S136 T152 K154L101-N103 VanDerWaalsContact CD1-OD1 3.3Å; L101-N103 WeakPolarHBondContact CD1-OD1 3.45Å; L101-N103 PolarHBondContact O-N 3Å; N103-S135 WeakPolarHBondContact O-CA 3.37Å; N103-S136 PolarHBondContact ND2-O 3.36Å; N103-S136 VanDerWaalsContact ND2-O 3.09Å; N103-S136 PolarHBondContact O-N 3.11Å; N103-S136 PolarHBondContact O-OG 3.45Å; N103-S136 VanDerWaalsContact O-OG 3.14Å; N103-T152 PolarHBondContact ND2-O 3.33Å; N103-K154 PolarHBondContact OD1-N 2.88Å
104S93.7Very high86.4Confident19 Ų1956.1 Ų56.113%0.13328%0.28CS..BIsolated β-bridgetrans-62135173.2-169.80000110.6L101 Y102 D106L101-S104 WeakPolarHBondContact O-CB 3.42Å; L101-S104 PolarHBondContact O-N 2.78Å; Y102-S104 VanDerWaalsContact C-N 3.35Å; S104-D106 PolarHBondContact OG-N 3.25Å
105A90.2Very high86.3Confident49 Ų4957.8 Ų57.841%0.40529%0.29SS..  trans-109.54.1170.400000111.7L58 K134L58-A105 HydrophobicContact CD2-CB 3.31Å; A105-K134 PolarHBondContact N-O 2.85Å
106D84.6Confident86.3Confident35 Ų3562 Ų6219%0.18731%0.313CS..SBendtrans-78.1150.9177.4-154.8-2.5000111.3S104 T108 K134S104-D106 PolarHBondContact OG-N 3.25Å; D106-T108 VanDerWaalsContact C-N 3.27Å; D106-T108 PolarHBondContact O-N 3.38Å; D106-T108 PolarHBondContact OD2-OG1 3.49Å; D106-K134 HydrophobicContact CB-CB 4.17Å
107Q79.6Confident86.4Confident190 Ų19057.9 Ų57.989%0.88830%0.295SS*.SBendtrans-66.6-35.6176.9-65.6-176.911.300111
108T79.8Confident86.5Confident80 Ų8061 Ų6149%0.49131%0.311SS..SBendtrans-91.4105.6170.8490000109D106 D110D106-T108 VanDerWaalsContact C-N 3.27Å; D106-T108 PolarHBondContact O-N 3.38Å; D106-T108 PolarHBondContact OD2-OG1 3.49Å; T108-D110 PolarHBondContact O-N 3.19Å
109F71.9Confident86.7Confident122 Ų12259.3 Ų59.354%0.53530%0.302SS..SBendtrans-59.8-30.3177.5-84.2-91.4000113
110D76.2Confident86.8Confident78 Ų7861 Ų6142%0.41731%0.311SS..  trans-105.1102.7169.6-172-0.9000109L100 T108 T112L100-D110 HydrophobicContact CD2-CB 4.26Å; T108-D110 PolarHBondContact O-N 3.19Å; D110-T112 WeakPolarHBondContact OD1-CB 3.33Å; D110-T112 WeakPolarHBondContact OD1-CG2 3.4Å; D110-T112 PolarHBondContact OD1-N 3.04Å; D110-T112 VanDerWaalsContact OD1-N 3.17Å; D110-T112 PolarHBondContact OD1-OG1 2.97Å
111S66.5Low86.9Confident23 Ų2362.4 Ų62.416%0.16132%0.316CS..  trans-102.217.1178.4670000112.8I132S111-I132 VanDerWaalsContact CB-O 3.32Å; S111-I132 WeakPolarHBondContact CB-O 3.29Å; S111-I132 PolarHBondContact OG-O 3.01Å
112T77.4Confident86.9Confident26 Ų2665 Ų6516%0.1633%0.33CS..BIsolated β-bridgetrans-76.5136.6177.563.20000111.1L65 D110 P129 A131L65-T112 HydrophobicContact CD1-CG2 4.08Å; D110-T112 WeakPolarHBondContact OD1-CB 3.33Å; D110-T112 WeakPolarHBondContact OD1-CG2 3.4Å; D110-T112 PolarHBondContact OD1-N 3.04Å; D110-T112 VanDerWaalsContact OD1-N 3.17Å; D110-T112 PolarHBondContact OD1-OG1 2.97Å; T112-P129 HydrophobicContact CG2-CB 4.39Å; T112-P129 HydrophobicContact CG2-CG 4.28Å; T112-A131 HydrophobicContact CG2-CB 4.18Å
113W78.7Confident86.9Confident135 Ų13562.7 Ų62.751%0.51132%0.321SS..  trans-82.1142.4171.4-81-89000111.2T115 P130 I132W113-T115 PolarHBondContact O-N 3.47Å; W113-T115 VanDerWaalsContact O-N 3.09Å; W113-P130 HydrophobicContact CB-CG 4.2Å; W113-P130 HydrophobicContact CE3-CG 4.49Å; W113-P130 PolarHBondContact N-O 3.49Å; W113-P130 VanDerWaalsContact N-O 3.09Å; W113-I132 HydrophobicContact CH2-CB 3.92Å; W113-I132 HydrophobicContact CH2-CD1 3.73Å; W113-I132 HydrophobicContact CH2-CG1 3.67Å; W113-I132 HydrophobicContact CZ3-CB 4.05Å; W113-I132 HydrophobicContact CZ3-CD1 4.3Å; W113-I132 HydrophobicContact CZ3-CG1 3.77Å
114H81.5Confident87Confident143 Ų14363.4 Ų63.466%0.66233%0.327SS*.  trans-64.1109.6178-57.1-83.5000110.9E92E92-H114 IonicContact OE1-CE1 2.77Å; E92-H114 IonicContact OE1-CG 3.05Å; E92-H114 IonicContact OE1-ND1 2.85Å; E92-H114 PolarHBondContact OE1-ND1 2.88Å
115T91.3Very high87.2Confident39 Ų3962.5 Ų62.524%0.23932%0.32CS..  trans-121.9158.5172.760.40000110.5W113 W127 P130W113-T115 PolarHBondContact O-N 3.47Å; W113-T115 VanDerWaalsContact O-N 3.09Å; T115-W127 PolarHBondContact O-NE1 3.11Å; T115-W127 PolarHBondContact OG1-NE1 3.35Å; T115-P130 HydrophobicContact CG2-CG 4.48Å
116N93.8Very high87.4Confident94 Ų9462.2 Ų62.250%0.50332%0.315SS..EExtended strand (participates in β ladder)trans-74.7142172.2-63.5-22.3000109.8R88 V89 P90R88-N116 HydrophobicContact CB-CB 4.27Å; V89-N116 CarbonylContact O-C 3.57Å; V89-N116 WeakPolarHBondContact O-CA 3.4Å; P90-N116 WeakPolarHBondContact CA-OD1 3.44Å
117A95.4Very high87.9Confident0 Ų061 Ų610%031%0.308CS..EExtended strand (participates in β ladder)trans-85.5147.8168.800000110.2R88 V89 I91 I94 I125 W127R88-A117 CarbonylContact C-O 3.57Å; R88-A117 WeakPolarHBondContact CA-O 3.29Å; V89-A117 PolarHBondContact N-O 3.37Å; V89-A117 PolarHBondContact O-N 2.83Å; I91-A117 HydrophobicContact CD1-CB 4.16Å; I94-A117 HydrophobicContact CD1-CB 3.77Å; A117-I125 HydrophobicContact CB-CG2 3.87Å; A117-W127 HydrophobicContact CB-CB 4.1Å; A117-W127 HydrophobicContact CB-CG 4.32Å
118I96.1Very high88.6Confident74 Ų7455.2 Ų55.238%0.37928%0.283SS..EExtended strand (participates in β ladder)trans-95.5117.7172.4-58173.9000106.9A86 R88 I125 S126A86-I118 HydrophobicContact CB-CG2 4.12Å; R88-I118 HydrophobicContact CG-CG1 4.41Å; I118-I125 WeakPolarHBondContact O-CA 3.33Å; I118-S126 PolarHBondContact N-O 3.35Å; I118-S126 PolarHBondContact O-N 2.99Å
119V95.8Very high89.3Confident1 Ų151.4 Ų51.41%0.00626%0.259CS..EExtended strand (participates in β ladder)trans-104.7124176-176.60000107.3L74 W76 A86 V87 V89 I125L74-V119 HydrophobicContact CB-CG1 3.91Å; L74-V119 HydrophobicContact CD1-CG1 4.42Å; L74-V119 HydrophobicContact CD1-CG2 4.45Å; W76-V119 HydrophobicContact CH2-CG1 4.27Å; W76-V119 WeakPolarHBondContact CH2-O 3.48Å; W76-V119 HydrophobicContact CZ3-CG1 3.89Å; A86-V119 CarbonylContact C-O 3.59Å; A86-V119 WeakPolarHBondContact CA-O 3.32Å; V87-V119 HydrophobicContact CG2-CB 4.07Å; V87-V119 PolarHBondContact N-O 2.94Å; V87-V119 PolarHBondContact O-N 2.98Å; V89-V119 HydrophobicContact CB-CG2 4.28Å; V89-V119 HydrophobicContact CG2-CB 4.46Å; V89-V119 HydrophobicContact CG2-CG2 3.8Å; V119-I125 HydrophobicContact CG1-CG1 4.25Å; V119-I125 HydrophobicContact CG2-CD1 4.28Å; V119-I125 HydrophobicContact CG2-CG1 4.16Å; V119-I125 HydrophobicContact CG2-CG2 4.29Å
120N95.9Very high90.4Very high49 Ų4947.4 Ų47.426%0.26225%0.245SC..EExtended strand (participates in β ladder)trans-92.4158.9174.4-65.4-36.1000111.1W76 L85 A86 D122 G123 T124W76-N120 WeakPolarHBondContact CZ3-O 3.49Å; L85-N120 WeakPolarHBondContact O-CA 3.4Å; A86-N120 WeakPolarHBondContact CB-OD1 3.49Å; N120-D122 VanDerWaalsContact CB-OD1 3.28Å; N120-D122 WeakPolarHBondContact CB-OD1 3.36Å; N120-D122 PolarHBondContact O-N 2.97Å; N120-D122 VanDerWaalsContact O-N 3.1Å; N120-G123 PolarHBondContact O-N 2.9Å; N120-T124 WeakPolarHBondContact CB-OG1 3.46Å; N120-T124 PolarHBondContact N-O 3.48Å; N120-T124 PolarHBondContact ND2-OG1 2.81Å
121H94.6Very high91.1Very high70 Ų7043.7 Ų43.732%0.32423%0.226SC..THydrogen-bonded Turntrans-59.4-25-176.773.487.7000114.6W76 P78 L85 G123W76-H121 HydrophobicContact CD2-CB 4.01Å; W76-H121 HydrophobicContact CG-CB 4.44Å; W76-H121 HydrophobicContact CH2-CB 4.31Å; W76-H121 VanDerWaalsContact CZ2-CA 3.48Å; W76-H121 HydrophobicContact CZ2-CB 3.72Å; W76-H121 PolarHBondContact N-O 3.07Å; W76-H121 VanDerWaalsContact N-O 3.17Å; P78-H121 HydrophobicContact CG-CB 3.82Å; L85-H121 PolarHBondContact O-N 2.8Å; H121-G123 PolarHBondContact O-N 3.22Å
122D94.6Very high92.4Very high63 Ų6345.1 Ų45.134%0.33723%0.231SC..THydrogen-bonded Turntrans-81.1-2177.573-23.4000113.7K70 R75 N120 T124K70-D122 WeakPolarHBondContact CE-O 3.46Å; R75-D122 PolarHBondContact NE-O 3.31Å; N120-D122 VanDerWaalsContact CB-OD1 3.28Å; N120-D122 WeakPolarHBondContact CB-OD1 3.36Å; N120-D122 PolarHBondContact O-N 2.97Å; N120-D122 VanDerWaalsContact O-N 3.1Å; D122-T124 WeakPolarHBondContact OD1-CB 3.23Å; D122-T124 PolarHBondContact OD1-N 3.24Å; D122-T124 PolarHBondContact OD1-OG1 3Å; D122-T124 WeakPolarHBondContact OD2-CG2 3.46Å; D122-T124 PolarHBondContact OD2-OG1 3.43Å
123G93.5Very high93.1Very high0 Ų044.1 Ų44.10%023%0.225CC..SBendtrans85.37.1-177.300000113.9K70 D71 L74 N120 H121K70-G123 CarbonylContact C-O 3.59Å; K70-G123 WeakPolarHBondContact CA-O 3.43Å; D71-G123 PolarHBondContact N-O 3.4Å; D71-G123 WeakPolarHBondContact O-CA 3.41Å; L74-G123 WeakPolarHBondContact O-CA 3.29Å; N120-G123 PolarHBondContact O-N 2.9Å; H121-G123 PolarHBondContact O-N 3.22Å
124T96.1Very high93.9Very high42 Ų4241.1 Ų41.126%0.25822%0.215SC..EExtended strand (participates in β ladder)trans-72.5128.3170.256.10000109.8N120 D122N120-T124 WeakPolarHBondContact CB-OG1 3.46Å; N120-T124 PolarHBondContact N-O 3.48Å; N120-T124 PolarHBondContact ND2-OG1 2.81Å; D122-T124 WeakPolarHBondContact OD1-CB 3.23Å; D122-T124 PolarHBondContact OD1-N 3.24Å; D122-T124 PolarHBondContact OD1-OG1 3Å; D122-T124 WeakPolarHBondContact OD2-CG2 3.46Å; D122-T124 PolarHBondContact OD2-OG1 3.43Å
125I96.6Very high94.5Very high0 Ų034.3 Ų34.30%018%0.184CC..EExtended strand (participates in β ladder)trans-113.5124.5179.1-53-173.5000107.7D68 W69 D71 L74 I94 A117 I118 V119D68-I125 WeakPolarHBondContact CA-O 3.46Å; W69-I125 HydrophobicContact CD2-CB 4.06Å; W69-I125 HydrophobicContact CD2-CG2 4.41Å; W69-I125 HydrophobicContact CE3-CB 4.36Å; W69-I125 HydrophobicContact CE3-CG2 4.42Å; W69-I125 HydrophobicContact CH2-CB 4.23Å; W69-I125 HydrophobicContact CH2-CG2 3.52Å; W69-I125 HydrophobicContact CZ2-CB 3.91Å; W69-I125 HydrophobicContact CZ2-CD1 3.99Å; W69-I125 HydrophobicContact CZ2-CG2 3.49Å; W69-I125 VanDerWaalsContact CZ2-CG2 3.49Å; W69-I125 HydrophobicContact CZ3-CB 4.43Å; W69-I125 HydrophobicContact CZ3-CG2 4Å; W69-I125 PolarHBondContact N-O 2.91Å; W69-I125 VanDerWaalsContact N-O 3.1Å; W69-I125 PolarHBondContact O-N 3.15Å; D71-I125 HydrophobicContact CB-CD1 3.63Å; D71-I125 HydrophobicContact CB-CG1 4.3Å; L74-I125 HydrophobicContact CD1-CD1 3.72Å; I94-I125 HydrophobicContact CD1-CD1 4.2Å; I94-I125 HydrophobicContact CD1-CG2 4.12Å; A117-I125 HydrophobicContact CB-CG2 3.87Å; I118-I125 WeakPolarHBondContact O-CA 3.33Å; V119-I125 HydrophobicContact CG1-CG1 4.25Å; V119-I125 HydrophobicContact CG2-CD1 4.28Å; V119-I125 HydrophobicContact CG2-CG1 4.16Å; V119-I125 HydrophobicContact CG2-CG2 4.29Å
126S95.7Very high94.6Very high43 Ų4335.2 Ų35.230%0.30119%0.192SC..EExtended strand (participates in β ladder)trans-113.5120.8172.9-67.40000109.2Y67 D68 I118Y67-S126 WeakPolarHBondContact O-CA 3.28Å; D68-S126 VanDerWaalsContact OD1-CB 3.3Å; D68-S126 WeakPolarHBondContact OD1-CB 3.46Å; D68-S126 PolarHBondContact OD1-OG 3.35Å; I118-S126 PolarHBondContact N-O 3.35Å; I118-S126 PolarHBondContact O-N 2.99Å
127W95.1Very high94.6Very high10 Ų1031 Ų314%0.03817%0.169CC..EExtended strand (participates in β ladder)trans-124.3125.9177.9-177.946.8000109.6Y67 W69 I91 T115 A117 P129Y67-W127 HydrophobicContact CD2-CD2 4.24Å; Y67-W127 AromaticContact CD2-CE3 3.45Å; Y67-W127 HydrophobicContact CD2-CE3 3.45Å; Y67-W127 VanDerWaalsContact CD2-CE3 3.45Å; Y67-W127 AromaticContact CD2-CZ3 3.84Å; Y67-W127 HydrophobicContact CD2-CZ3 3.84Å; Y67-W127 AromaticContact CE2-CE3 3.91Å; Y67-W127 HydrophobicContact CE2-CE3 3.91Å; Y67-W127 AromaticContact CE2-CZ3 3.8Å; Y67-W127 HydrophobicContact CE2-CZ3 3.8Å; Y67-W127 AromaticContact CG-CE3 3.93Å; Y67-W127 HydrophobicContact CG-CE3 3.93Å; Y67-W127 HydrophobicContact CG-CZ3 4.43Å; Y67-W127 PolarHBondContact N-O 3.42Å; Y67-W127 PolarHBondContact O-N 2.83Å; W69-W127 HydrophobicContact CH2-CB 3.96Å; W69-W127 HydrophobicContact CZ3-CB 3.79Å; I91-W127 HydrophobicContact CB-CZ2 4.49Å; I91-W127 HydrophobicContact CD1-CD2 3.74Å; I91-W127 HydrophobicContact CD1-CE3 4.15Å; I91-W127 HydrophobicContact CD1-CG 3.9Å; I91-W127 HydrophobicContact CG1-CD2 3.99Å; I91-W127 HydrophobicContact CG1-CE3 4.43Å; I91-W127 HydrophobicContact CG1-CG 4.46Å; I91-W127 HydrophobicContact CG1-CH2 4.38Å; I91-W127 HydrophobicContact CG1-CZ2 3.9Å; I91-W127 HydrophobicContact CG2-CZ2 4.32Å; T115-W127 PolarHBondContact O-NE1 3.11Å; T115-W127 PolarHBondContact OG1-NE1 3.35Å; A117-W127 HydrophobicContact CB-CB 4.1Å; A117-W127 HydrophobicContact CB-CG 4.32Å; W127-P129 VanDerWaalsContact C-CD 3.48Å; W127-P129 HydrophobicContact CD2-CG 3.96Å; W127-P129 HydrophobicContact CE3-CG 4.18Å; W127-P129 HydrophobicContact CH2-CB 4.39Å; W127-P129 HydrophobicContact CH2-CG 3.84Å; W127-P129 HydrophobicContact CZ2-CB 3.76Å; W127-P129 HydrophobicContact CZ2-CG 3.59Å; W127-P129 HydrophobicContact CZ3-CG 4.13Å
128L93.7Very high94.4Very high67 Ų6737.9 Ų37.935%0.35120%0.199SC..  trans-128.169.7-174.6-169.772.3000110.7W64 L65 R66W64-L128 HydrophobicContact CB-CD1 3.9Å; W64-L128 HydrophobicContact CB-CG 4.1Å; W64-L128 HydrophobicContact CE3-CD2 3.91Å; W64-L128 HydrophobicContact CE3-CG 4.49Å; W64-L128 HydrophobicContact CZ3-CD2 4.48Å; L65-L128 WeakPolarHBondContact O-CA 3.38Å; R66-L128 HydrophobicContact CB-CD1 3.67Å; R66-L128 HydrophobicContact CG-CD1 4.07Å
129P94.8Very high94.1Very high0 Ų034.7 Ų34.70%018%0.183CC..  trans-71134.5173.929.3-37.1000111L65 Y67 T112 W127L65-P129 HydrophobicContact CB-CG 4.4Å; L65-P129 PolarHBondContact N-O 3.42Å; L65-P129 WeakPolarHBondContact O-CD 3.44Å; Y67-P129 HydrophobicContact CD2-CG 4.18Å; Y67-P129 HydrophobicContact CE2-CG 3.85Å; T112-P129 HydrophobicContact CG2-CB 4.39Å; T112-P129 HydrophobicContact CG2-CG 4.28Å; W127-P129 VanDerWaalsContact C-CD 3.48Å; W127-P129 HydrophobicContact CD2-CG 3.96Å; W127-P129 HydrophobicContact CE3-CG 4.18Å; W127-P129 HydrophobicContact CH2-CB 4.39Å; W127-P129 HydrophobicContact CH2-CG 3.84Å; W127-P129 HydrophobicContact CZ2-CB 3.76Å; W127-P129 HydrophobicContact CZ2-CG 3.59Å; W127-P129 HydrophobicContact CZ3-CG 4.13Å
130P94.4Very high93.7Very high38 Ų3838.7 Ų38.725%0.24720%0.204CC..EExtended strand (participates in β ladder)trans-71.3149162.131.1-30.7000109.4W113 T115W113-P130 HydrophobicContact CB-CG 4.2Å; W113-P130 HydrophobicContact CE3-CG 4.49Å; W113-P130 PolarHBondContact N-O 3.49Å; W113-P130 VanDerWaalsContact N-O 3.09Å; T115-P130 HydrophobicContact CG2-CG 4.48Å
131A92.4Very high93.3Very high0 Ų036.8 Ų36.80%019%0.194CC..EExtended strand (participates in β ladder)trans-146.9139.4176.400000110.5V63 L65 T112 I133V63-A131 HydrophobicContact CG2-CB 4.4Å; V63-A131 PolarHBondContact N-O 3.24Å; V63-A131 PolarHBondContact O-N 3.48Å; V63-A131 VanDerWaalsContact O-O 3.12Å; L65-A131 HydrophobicContact CD1-CB 4.38Å; T112-A131 HydrophobicContact CG2-CB 4.18Å; A131-I133 HydrophobicContact CB-CD1 4.1Å; A131-I133 HydrophobicContact CB-CG1 3.8Å
132I92.9Very high92.9Very high53 Ų5335.4 Ų35.427%0.27219%0.191SC..EExtended strand (participates in β ladder)trans-99.7112.8165.9-68.3179.7000105I50 Q60 T61 S111 W113I50-I132 HydrophobicContact CD1-CD1 4.24Å; I50-I132 HydrophobicContact CD1-CG1 4.28Å; I50-I132 HydrophobicContact CD1-CG2 4.04Å; Q60-I132 HydrophobicContact CG-CG2 3.92Å; T61-I132 CarbonylContact O-C 3.6Å; T61-I132 WeakPolarHBondContact O-CA 3.48Å; S111-I132 VanDerWaalsContact CB-O 3.32Å; S111-I132 WeakPolarHBondContact CB-O 3.29Å; S111-I132 PolarHBondContact OG-O 3.01Å; W113-I132 HydrophobicContact CH2-CB 3.92Å; W113-I132 HydrophobicContact CH2-CD1 3.73Å; W113-I132 HydrophobicContact CH2-CG1 3.67Å; W113-I132 HydrophobicContact CZ3-CB 4.05Å; W113-I132 HydrophobicContact CZ3-CD1 4.3Å; W113-I132 HydrophobicContact CZ3-CG1 3.77Å
133I92.9Very high92.5Very high5 Ų537.6 Ų37.63%0.02619%0.194CC..EExtended strand (participates in β ladder)trans-111.2123.7-171.2-61.4-172000108.7Q60 T61 V63 L65 L101 A131 L153 F155Q60-I133 WeakPolarHBondContact CA-O 3.41Å; T61-I133 PolarHBondContact N-O 3.14Å; T61-I133 PolarHBondContact O-N 3.27Å; V63-I133 HydrophobicContact CG2-CD1 3.4Å; V63-I133 VanDerWaalsContact CG2-CD1 3.4Å; V63-I133 HydrophobicContact CG2-CG1 3.87Å; L65-I133 HydrophobicContact CD1-CD1 4.23Å; L65-I133 HydrophobicContact CD2-CD1 4.35Å; L101-I133 HydrophobicContact CD2-CG2 3.37Å; A131-I133 HydrophobicContact CB-CD1 4.1Å; A131-I133 HydrophobicContact CB-CG1 3.8Å; I133-L153 HydrophobicContact CG2-CD2 4.27Å; I133-F155 HydrophobicContact CD1-CE1 4.1Å; I133-F155 HydrophobicContact CD1-CZ 3.61Å
134K94.3Very high92Very high73 Ų7338.1 Ų38.132%0.31720%0.196SC..EExtended strand (participates in β ladder)trans-103114.6168.3-65.7179177.1178.90108.7I59 Q60 A105 D106I59-K134 WeakPolarHBondContact O-CA 3.44Å; Q60-K134 HydrophobicContact CB-CG 4.26Å; Q60-K134 HydrophobicContact CG-CG 3.94Å; Q60-K134 VanDerWaalsContact OE1-CE 3.25Å; A105-K134 PolarHBondContact N-O 2.85Å; D106-K134 HydrophobicContact CB-CB 4.17Å
135S94.5Very high91.5Very high0 Ų036.3 Ų36.30%019%0.186CC..EExtended strand (participates in β ladder)trans-120.8146179.167.40000111.4L58 I59 N103 C137 L153L58-S135 WeakPolarHBondContact CA-O 3.46Å; I59-S135 WeakPolarHBondContact CG2-OG 3.34Å; I59-S135 PolarHBondContact N-O 2.72Å; I59-S135 PolarHBondContact O-N 2.88Å; N103-S135 WeakPolarHBondContact O-CA 3.37Å; S135-C137 PolarHBondContact O-N 3.29Å; S135-L153 VanDerWaalsContact CB-CD2 3.49Å; S135-L153 WeakPolarHBondContact OG-CD2 3.38Å
136S94.1Very high91Very high58 Ų5838 Ų3841%0.40619%0.193SC..EExtended strand (participates in β ladder)trans-69.6129.1170.451.30000110.5N103N103-S136 PolarHBondContact ND2-O 3.36Å; N103-S136 VanDerWaalsContact ND2-O 3.09Å; N103-S136 PolarHBondContact O-N 3.11Å; N103-S136 PolarHBondContact O-OG 3.45Å; N103-S136 VanDerWaalsContact O-OG 3.14Å
137C93.8Very high90.7Very high4 Ų436.2 Ų36.23%0.02718%0.18CC..  trans-135.8121.8179.7176.30000110.1Q57 I59 S135 I139 C151Q57-C137 CarbonylContact C-O 3.57Å; Q57-C137 WeakPolarHBondContact CB-O 3.48Å; Q57-C137 PolarHBondContact O-N 3.09Å; Q57-C137 VanDerWaalsContact O-O 3.12Å; I59-C137 HydrophobicContact CB-CB 4.49Å; I59-C137 HydrophobicContact CG2-CB 3.99Å; S135-C137 PolarHBondContact O-N 3.29Å; C137-I139 HydrophobicContact CB-CD1 4.4Å; C137-I139 PolarHBondContact O-N 3.19Å; C137-I139 VanDerWaalsContact O-N 3.12Å; C137-C151 HydrophobicContact CB-CB 3.64Å; C137-C151 WeakPolarHBondContact CB-SG 3.48Å; C137-C151 WeakPolarHBondContact SG-CA 3.48Å; C137-C151 WeakPolarHBondContact SG-CB 3.19Å; C137-C151 CovalentContact SG-SG 2.03Å; C137-C151 PolarHBondContact SG-SG 3.37Å
138K91Very high90.6Very high146 Ų14638.1 Ų38.164%0.63519%0.191SC*.  trans-73.5105.7174.4-175.5175.8-178.5167.70109.7D275K138-D275 WeakPolarHBondContact CE-OD2 3.27Å; K138-D275 IonicContact NZ-OD2 3.35Å; K138-D275 PolarHBondContact NZ-OD2 2.91Å
139I89.8Confident90.6Very high6 Ų635.1 Ų35.13%0.03118%0.175CC..  trans-82.3128.8176.8-56.2-58.5000110.1I52 E54 C137 I141 Q149I52-I139 HydrophobicContact CG2-CD1 3.92Å; E54-I139 HydrophobicContact CB-CG2 4.25Å; E54-I139 HydrophobicContact CG-CG2 4.09Å; C137-I139 HydrophobicContact CB-CD1 4.4Å; C137-I139 PolarHBondContact O-N 3.19Å; C137-I139 VanDerWaalsContact O-N 3.12Å; I139-I141 HydrophobicContact CG2-CG2 4.01Å; I139-Q149 HydrophobicContact CD1-CG 4.4Å; I139-Q149 HydrophobicContact CG2-CG 4.47Å
140D87.4Confident90.7Very high86 Ų8641.2 Ų41.246%0.4620%0.201SC..  trans-100.2109.2175.3-175.4-7.8000110.3T142 Q149D140-T142 WeakPolarHBondContact OD1-CB 3.37Å; D140-T142 WeakPolarHBondContact OD1-CG2 3.45Å; D140-T142 PolarHBondContact OD1-N 3.04Å; D140-T142 PolarHBondContact OD1-OG1 3.18Å; D140-Q149 PolarHBondContact O-NE2 2.68Å
141I87Confident90.8Very high8 Ų839.4 Ų39.44%0.04119%0.19CC..  trans-94.25.8-175.862.1169.4000114.1I139 W143 F144 P271 P278I139-I141 HydrophobicContact CG2-CG2 4.01Å; I141-W143 VanDerWaalsContact C-N 3.26Å; I141-W143 PolarHBondContact O-N 2.85Å; I141-F144 WeakPolarHBondContact O-CB 3.38Å; I141-F144 PolarHBondContact O-N 3.32Å; I141-P271 HydrophobicContact CD1-CG 4.28Å; I141-P271 HydrophobicContact CG2-CG 3.95Å; I141-P278 HydrophobicContact CD1-CB 4.45Å; I141-P278 HydrophobicContact CD1-CG 4.3Å; I141-P278 WeakPolarHBondContact O-CA 3.24Å; I141-P278 WeakPolarHBondContact O-CB 3.4Å
142T85.9Confident90.9Very high42 Ų4242.3 Ų42.326%0.25821%0.208SC..THydrogen-bonded Turntrans-48.4-46.9-177.342.50000113.2D140 A276 L279D140-T142 WeakPolarHBondContact OD1-CB 3.37Å; D140-T142 WeakPolarHBondContact OD1-CG2 3.45Å; D140-T142 PolarHBondContact OD1-N 3.04Å; D140-T142 PolarHBondContact OD1-OG1 3.18Å; T142-A276 HydrophobicContact CG2-CB 3.41Å; T142-A276 VanDerWaalsContact CG2-CB 3.41Å; T142-L279 PolarHBondContact O-N 3.45Å
143W85.8Confident91.1Very high109 Ų10939.8 Ų39.841%0.41320%0.195SC..THydrogen-bonded Turntrans-101.411.5-174.2-60108.5000114.6I141 F146 L279 A470 P472I141-W143 VanDerWaalsContact C-N 3.26Å; I141-W143 PolarHBondContact O-N 2.85Å; W143-F146 CarbonylContact O-C 3.49Å; W143-F146 WeakPolarHBondContact O-CA 3.35Å; W143-F146 PolarHBondContact O-N 3.49Å; W143-L279 HydrophobicContact CE3-CD2 4.18Å; W143-L279 HydrophobicContact CZ3-CD2 4.13Å; W143-A470 HydrophobicContact CH2-CB 4.31Å; W143-A470 HydrophobicContact CZ3-CB 3.82Å; W143-A470 WeakPolarHBondContact CZ3-O 3.28Å; W143-P472 HydrophobicContact CB-CG 4.06Å; W143-P472 HydrophobicContact CD2-CG 4.05Å; W143-P472 VanDerWaalsContact CE3-CD 3.46Å; W143-P472 HydrophobicContact CE3-CG 4.29Å; W143-P472 HydrophobicContact CG-CG 3.94Å
144F84.4Confident91.2Very high10 Ų1041.9 Ų41.94%0.04420%0.204CC..THydrogen-bonded Turntrans-51.7132.8-179-179.6-88.5000112I141 Y220 L224 M270 P278 I280I141-F144 WeakPolarHBondContact O-CB 3.38Å; I141-F144 PolarHBondContact O-N 3.32Å; F144-Y220 HydrophobicContact CE1-CD1 4.17Å; F144-Y220 HydrophobicContact CE1-CE1 4.38Å; F144-Y220 HydrophobicContact CE2-CE1 4.11Å; F144-Y220 AromaticContact CZ-CD1 3.66Å; F144-Y220 HydrophobicContact CZ-CD1 3.66Å; F144-Y220 AromaticContact CZ-CE1 3.46Å; F144-Y220 HydrophobicContact CZ-CE1 3.46Å; F144-Y220 VanDerWaalsContact CZ-CE1 3.46Å; F144-Y220 HydrophobicContact CZ-CG 4.46Å; F144-L224 HydrophobicContact CE1-CD1 4.17Å; F144-M270 HydrophobicContact CD1-SD 4.46Å; F144-P278 HydrophobicContact CB-CB 4.42Å; F144-I280 HydrophobicContact CD1-CG2 3.94Å
145P85.5Confident91.2Very high5 Ų538.6 Ų38.63%0.03219%0.189CC..THydrogen-bonded Turncis-93.3104.138.3-38000114.8D147 T217 Y220P145-D147 VanDerWaalsContact C-N 3.25Å; P145-D147 VanDerWaalsContact C-OD1 3.28Å; P145-D147 PolarHBondContact O-N 3.3Å; P145-T217 WeakPolarHBondContact O-CG2 3.45Å; P145-Y220 HydrophobicContact CB-CD1 4.47Å; P145-Y220 HydrophobicContact CB-CD2 4.01Å; P145-Y220 HydrophobicContact CB-CG 3.81Å; P145-Y220 HydrophobicContact CG-CG 4.46Å
146F86.7Confident91.2Very high35 Ų3538.6 Ų38.615%0.15419%0.189CC..SBendtrans-93.545-179.4-53.4-82.9000111.4W143 T217 I225 A471 P472 L474W143-F146 CarbonylContact O-C 3.49Å; W143-F146 WeakPolarHBondContact O-CA 3.35Å; W143-F146 PolarHBondContact O-N 3.49Å; F146-T217 HydrophobicContact CD1-CG2 3.43Å; F146-T217 VanDerWaalsContact CD1-CG2 3.43Å; F146-T217 HydrophobicContact CE1-CG2 3.72Å; F146-T217 HydrophobicContact CG-CG2 4.21Å; F146-I225 HydrophobicContact CE2-CD1 4.23Å; F146-I225 HydrophobicContact CZ-CD1 4.06Å; F146-A471 HydrophobicContact CD2-CB 3.84Å; F146-A471 HydrophobicContact CE2-CB 4.09Å; F146-A471 HydrophobicContact CG-CB 4.36Å; F146-P472 VanDerWaalsContact CB-O 3.25Å; F146-P472 WeakPolarHBondContact CB-O 3.22Å; F146-L474 HydrophobicContact CE1-CD1 4.01Å; F146-L474 HydrophobicContact CE2-CD1 4.03Å; F146-L474 HydrophobicContact CZ-CD1 3.59Å
147D89.4Confident91.3Very high5 Ų536.1 Ų36.13%0.02717%0.172CC..  trans-102144.8-171.558.3-46.9000113.1P145 Q149 R215P145-D147 VanDerWaalsContact C-N 3.25Å; P145-D147 VanDerWaalsContact C-OD1 3.28Å; P145-D147 PolarHBondContact O-N 3.3Å; D147-Q149 PolarHBondContact OD2-NE2 2.94Å; D147-R215 PolarHBondContact O-N 2.92Å; D147-R215 WeakPolarHBondContact OD1-CD 3.36Å; D147-R215 IonicContact OD1-NE 2.7Å; D147-R215 PolarHBondContact OD1-NE 3.23Å; D147-R215 IonicContact OD2-CZ 3.07Å; D147-R215 IonicContact OD2-NE 2.61Å; D147-R215 IonicContact OD2-NH2 2.81Å; D147-R215 PolarHBondContact OD2-NH2 2.93Å
148D92.3Very high91.1Very high50 Ų5043.2 Ų43.227%0.26720%0.198SC..EExtended strand (participates in β ladder)trans-106.7128166.5-78.5-2000108V213 R214D148-V213 CarbonylContact C-O 3.57Å; D148-V213 WeakPolarHBondContact CA-O 3.42Å; D148-R214 WeakPolarHBondContact OD1-CB 3.45Å; D148-R214 WeakPolarHBondContact OD1-CG 3.5Å; D148-R214 IonicContact OD1-CZ 3.74Å; D148-R214 IonicContact OD1-NE 2.88Å; D148-R214 PolarHBondContact OD1-NE 3.37Å; D148-R214 IonicContact OD1-NH2 2.72Å; D148-R214 PolarHBondContact OD1-NH2 3.5Å; D148-R214 IonicContact OD2-CZ 3.49Å; D148-R214 IonicContact OD2-NE 3.88Å; D148-R214 IonicContact OD2-NH2 3.5Å; D148-R214 PolarHBondContact OD2-NH2 3.12Å
149Q94.3Very high91.2Very high4 Ų440.4 Ų40.42%0.01919%0.193CC..EExtended strand (participates in β ladder)trans-109.3142.1178.9-58.5-60.5-22.700111.1I139 D140 D147 W183 W212 V213I139-Q149 HydrophobicContact CD1-CG 4.4Å; I139-Q149 HydrophobicContact CG2-CG 4.47Å; D140-Q149 PolarHBondContact O-NE2 2.68Å; D147-Q149 PolarHBondContact OD2-NE2 2.94Å; Q149-W183 HydrophobicContact CB-CZ3 4.4Å; Q149-W183 HydrophobicContact CG-CH2 3.87Å; Q149-W183 HydrophobicContact CG-CZ3 3.84Å; Q149-W212 WeakPolarHBondContact O-CA 3.49Å; Q149-V213 HydrophobicContact CB-CG2 3.89Å; Q149-V213 PolarHBondContact N-O 2.92Å; Q149-V213 PolarHBondContact O-N 3.41Å
150K95.3Very high91.3Very high128 Ų12842.3 Ų42.356%0.55720%0.201SC*.EExtended strand (participates in β ladder)trans-127.298.3178.5-69.1-179.3-177.7174.60109.7T210 I211 W212K150-T210 HydrophobicContact CB-CG2 4Å; K150-I211 WeakPolarHBondContact CA-O 3.37Å; K150-W212 HydrophobicContact CG-CB 4.41Å; K150-W212 HydrophobicContact CG-CG 4.14Å
151C96.5Very high91.7Very high1 Ų138.7 Ų38.71%0.00718%0.182CC..EExtended strand (participates in β ladder)trans-99.6130.7179.8-650000111.4I59 C137 T210 I211I59-C151 HydrophobicContact CB-CB 4.47Å; I59-C151 HydrophobicContact CD1-CB 3.97Å; I59-C151 HydrophobicContact CG2-CB 3.88Å; C137-C151 HydrophobicContact CB-CB 3.64Å; C137-C151 WeakPolarHBondContact CB-SG 3.48Å; C137-C151 WeakPolarHBondContact SG-CA 3.48Å; C137-C151 WeakPolarHBondContact SG-CB 3.19Å; C137-C151 CovalentContact SG-SG 2.03Å; C137-C151 PolarHBondContact SG-SG 3.37Å; C151-T210 CarbonylContact O-C 3.42Å; C151-T210 WeakPolarHBondContact O-CA 3.38Å; C151-I211 PolarHBondContact N-O 3.26Å; C151-I211 PolarHBondContact O-N 3.03Å
152T96Very high91.9Very high60 Ų6038.6 Ų38.637%0.36818%0.183SC..EExtended strand (participates in β ladder)trans-98141.1-178.454.50000111.5N103 T208 F209 T210N103-T152 PolarHBondContact ND2-O 3.33Å; T152-T208 HydrophobicContact CG2-CG2 4.03Å; T152-F209 CarbonylContact C-O 3.58Å; T152-F209 WeakPolarHBondContact CA-O 3.39Å; T152-T210 HydrophobicContact CG2-CG2 4.2Å
153L95.3Very high92.2Very high0 Ų043.6 Ų43.60%020%0.198CC..EExtended strand (participates in β ladder)trans-116.6104.6168.5-60.8179000107.6I44 L101 I133 S135 F155 T208 F209 I211I44-L153 HydrophobicContact CD1-CD1 3.96Å; L101-L153 HydrophobicContact CD1-CB 4.05Å; L101-L153 HydrophobicContact CD1-CD2 4.31Å; I133-L153 HydrophobicContact CG2-CD2 4.27Å; S135-L153 VanDerWaalsContact CB-CD2 3.49Å; S135-L153 WeakPolarHBondContact OG-CD2 3.38Å; L153-F155 HydrophobicContact CB-CD2 4.38Å; L153-F155 HydrophobicContact CB-CE2 3.81Å; L153-T208 WeakPolarHBondContact O-CA 3.35Å; L153-F209 HydrophobicContact CB-CB 4.38Å; L153-F209 PolarHBondContact N-O 2.89Å; L153-F209 PolarHBondContact O-N 2.91Å; L153-I211 HydrophobicContact CD1-CD1 3.85Å; L153-I211 HydrophobicContact CD1-CG1 4.4Å; L153-I211 HydrophobicContact CG-CD1 4.39Å
154K95.3Very high92.6Very high50 Ų5041.5 Ų41.522%0.21719%0.193CC..EExtended strand (participates in β ladder)trans-98.9100.6-175.2-173.1178.6-174.8-171.20111Y102 N103 Y197 D206Y102-K154 HydrophobicContact CD2-CD 3.83Å; Y102-K154 HydrophobicContact CD2-CG 4.06Å; Y102-K154 PolarHBondContact N-O 3.48Å; N103-K154 PolarHBondContact OD1-N 2.88Å; K154-Y197 PolarHBondContact NZ-OH 3.15Å; K154-D206 WeakPolarHBondContact CE-OD1 3.4Å; K154-D206 WeakPolarHBondContact CE-OD2 3.49Å; K154-D206 HydrophobicContact CG-CB 4.22Å; K154-D206 IonicContact NZ-OD1 3.29Å; K154-D206 PolarHBondContact NZ-OD1 3.21Å
155F95.5Very high93.1Very high4 Ų441.2 Ų41.22%0.01819%0.192CC..EExtended strand (participates in β ladder)trans-96.2136.5176.7-67.8-83.9000111.6L42 L65 I99 L100 L101 I133 L153 D206 V207 F209L42-F155 HydrophobicContact CD2-CB 3.48Å; L42-F155 VanDerWaalsContact CD2-CB 3.48Å; L42-F155 HydrophobicContact CD2-CD2 4.16Å; L42-F155 HydrophobicContact CD2-CG 3.84Å; L65-F155 HydrophobicContact CD1-CE1 3.99Å; L65-F155 HydrophobicContact CD1-CZ 4.3Å; L65-F155 HydrophobicContact CD2-CE1 4.16Å; L65-F155 HydrophobicContact CD2-CE2 4.23Å; L65-F155 HydrophobicContact CD2-CZ 3.71Å; I99-F155 HydrophobicContact CG2-CB 3.95Å; I99-F155 HydrophobicContact CG2-CD1 4.27Å; L100-F155 WeakPolarHBondContact O-CA 3.39Å; L101-F155 HydrophobicContact CB-CD1 4.21Å; L101-F155 HydrophobicContact CB-CE1 3.96Å; L101-F155 HydrophobicContact CD1-CD1 4.36Å; L101-F155 HydrophobicContact CD1-CD2 4.36Å; L101-F155 HydrophobicContact CD1-CE1 4.13Å; L101-F155 HydrophobicContact CD1-CE2 4.14Å; L101-F155 HydrophobicContact CD1-CG 4.47Å; L101-F155 HydrophobicContact CD1-CZ 4.02Å; I133-F155 HydrophobicContact CD1-CE1 4.1Å; I133-F155 HydrophobicContact CD1-CZ 3.61Å; L153-F155 HydrophobicContact CB-CD2 4.38Å; L153-F155 HydrophobicContact CB-CE2 3.81Å; F155-D206 CarbonylContact O-C 3.5Å; F155-D206 WeakPolarHBondContact O-CA 3.33Å; F155-D206 VanDerWaalsContact O-CB 3.31Å; F155-D206 WeakPolarHBondContact O-CB 3.42Å; F155-V207 PolarHBondContact N-O 3.27Å; F155-V207 PolarHBondContact O-N 3.43Å; F155-F209 AromaticContact CD2-CD2 3.82Å; F155-F209 HydrophobicContact CD2-CD2 3.82Å; F155-F209 AromaticContact CD2-CE2 3.97Å; F155-F209 HydrophobicContact CD2-CE2 3.97Å; F155-F209 HydrophobicContact CE2-CD2 4.03Å; F155-F209 HydrophobicContact CE2-CE2 4.37Å
156G94.8Very high93.6Very high0 Ų042.3 Ų42.30%020%0.198CC..EExtended strand (participates in β ladder)trans-158161.4175.800000111.6I99 L100I99-G156 WeakPolarHBondContact CA-O 3.38Å; L100-G156 PolarHBondContact N-O 2.88Å; L100-G156 PolarHBondContact O-N 3.11Å
157S94.4Very high94Very high6 Ų640.8 Ų40.84%0.04219%0.191CC..EExtended strand (participates in β ladder)trans-64.4138.9169.1160.30000110D98 Y102 Y160D98-S157 PolarHBondContact OD1-OG 3.4Å; D98-S157 VanDerWaalsContact OD1-OG 3.14Å; Y102-S157 PolarHBondContact OH-O 3.41Å; S157-Y160 WeakPolarHBondContact CB-O 3.36Å; S157-Y160 WeakPolarHBondContact OG-CA 3.46Å; S157-Y160 VanDerWaalsContact OG-CB 3.26Å; S157-Y160 WeakPolarHBondContact OG-CB 3.49Å; S157-Y160 PolarHBondContact OG-N 3.45Å; S157-Y160 PolarHBondContact OG-O 2.9Å
158W91.2Very high94.3Very high152 Ų15243.2 Ų43.258%0.57620%0.203SC*.SBendtrans-85.6-45-179.7-166.8-103.4000112.6D98 L100 Y102D98-W158 PolarHBondContact O-N 2.88Å; D98-W158 PolarHBondContact OD2-N 2.92Å; L100-W158 HydrophobicContact CD1-CB 4Å; L100-W158 HydrophobicContact CD1-CD2 4.3Å; L100-W158 HydrophobicContact CD1-CE3 4.39Å; L100-W158 HydrophobicContact CD1-CG 4.13Å; Y102-W158 HydrophobicContact CD1-CE3 4.05Å; Y102-W158 HydrophobicContact CD1-CZ3 4.02Å; Y102-W158 AromaticContact CE1-CE3 3.86Å; Y102-W158 HydrophobicContact CE1-CE3 3.86Å; Y102-W158 HydrophobicContact CE1-CZ3 4.21Å
159T92.1Very high94.5Very high87 Ų8743.4 Ų43.453%0.53421%0.207SC..SBendtrans-108.3-32.1-173.163.80000113.2D98D98-T159 WeakPolarHBondContact OD2-CB 3.28Å; D98-T159 PolarHBondContact OD2-N 3.07Å; D98-T159 PolarHBondContact OD2-OG1 3.41Å
160Y93.2Very high94.4Very high46 Ų4644 Ų4418%0.1821%0.214CC..  trans-83133.4-179.4-61.2-73.1000111.8R29 W95 D98 S157 Q164 I165R29-Y160 HydrophobicContact CG-CE1 3.84Å; W95-Y160 HydrophobicContact CZ2-CE2 4.33Å; D98-Y160 VanDerWaalsContact OD1-CD2 3.26Å; D98-Y160 WeakPolarHBondContact OD1-CD2 3.48Å; S157-Y160 WeakPolarHBondContact CB-O 3.36Å; S157-Y160 WeakPolarHBondContact OG-CA 3.46Å; S157-Y160 VanDerWaalsContact OG-CB 3.26Å; S157-Y160 WeakPolarHBondContact OG-CB 3.49Å; S157-Y160 PolarHBondContact OG-N 3.45Å; S157-Y160 PolarHBondContact OG-O 2.9Å; Y160-Q164 HydrophobicContact CD1-CB 3.83Å; Y160-Q164 HydrophobicContact CD1-CG 4.36Å; Y160-Q164 HydrophobicContact CG-CB 4.26Å; Y160-I165 HydrophobicContact CD2-CD1 3.27Å; Y160-I165 HydrophobicContact CD2-CG1 3.99Å; Y160-I165 HydrophobicContact CE2-CD1 3.97Å; Y160-I165 HydrophobicContact CG-CD1 3.72Å; Y160-I165 HydrophobicContact CG-CG1 3.91Å
161S93.8Very high94.2Very high10 Ų1044.4 Ų44.47%0.0722%0.216CC..  trans-73.6168.9170.866.90000111.7Y163 Q164 I165S161-Y163 PolarHBondContact O-N 2.61Å; S161-Y163 VanDerWaalsContact O-N 3.09Å; S161-Y163 PolarHBondContact OG-N 2.7Å; S161-Q164 VanDerWaalsContact N-OE1 3.09Å; S161-Q164 PolarHBondContact O-N 2.89Å; S161-Q164 PolarHBondContact OG-OE1 2.88Å; S161-I165 PolarHBondContact O-N 2.95Å
162G92.3Very high94.1Very high6 Ų646.3 Ų46.36%0.06223%0.227CC..THydrogen-bonded Turntrans-61.7-14173.900000114.6I165 P203G162-I165 WeakPolarHBondContact CA-O 3.37Å; G162-P203 WeakPolarHBondContact CA-O 3.22Å; G162-P203 PolarHBondContact N-O 3.48Å
163Y92.7Very high93.9Very high148 Ų14844.2 Ų44.258%0.5822%0.215SC*.THydrogen-bonded Turntrans-80.3-20.6171.5-59.8-60000112.9P37 S161 E202 P203P37-Y163 WeakPolarHBondContact CB-O 3.46Å; S161-Y163 PolarHBondContact O-N 2.61Å; S161-Y163 VanDerWaalsContact O-N 3.09Å; S161-Y163 PolarHBondContact OG-N 2.7Å; Y163-E202 HydrophobicContact CD2-CB 4.34Å; Y163-E202 HydrophobicContact CD2-CG 4.22Å; Y163-E202 HydrophobicContact CE2-CB 4.21Å; Y163-E202 HydrophobicContact CE2-CG 4.18Å; Y163-P203 HydrophobicContact CE2-CG 4.2Å
164Q93.8Very high93.7Very high65 Ų6546.9 Ų46.930%0.30423%0.231SC..THydrogen-bonded Turntrans-105.7-37.6-175.8-69167.7-50.500112.5R29 P37 V38 Y160 S161R29-Q164 VanDerWaalsContact NH1-CA 3.3Å; R29-Q164 PolarHBondContact NH1-O 3.26Å; P37-Q164 CarbonylContact C-O 3.6Å; P37-Q164 VanDerWaalsContact CA-O 3.27Å; P37-Q164 WeakPolarHBondContact CA-O 3.27Å; V38-Q164 PolarHBondContact N-O 3.45Å; Y160-Q164 HydrophobicContact CD1-CB 3.83Å; Y160-Q164 HydrophobicContact CD1-CG 4.36Å; Y160-Q164 HydrophobicContact CG-CB 4.26Å; S161-Q164 VanDerWaalsContact N-OE1 3.09Å; S161-Q164 PolarHBondContact O-N 2.89Å; S161-Q164 PolarHBondContact OG-OE1 2.88Å
165I95.1Very high93.5Very high4 Ų451 Ų512%0.02126%0.255CS..EExtended strand (participates in β ladder)trans-127.9123173.5-67.5-173.9000108.9V40 W95 P97 Y160 S161 G162V40-I165 HydrophobicContact CG2-CG2 4.09Å; W95-I165 HydrophobicContact CH2-CD1 4.07Å; W95-I165 HydrophobicContact CZ2-CD1 4.1Å; P97-I165 HydrophobicContact CB-CD1 4.07Å; Y160-I165 HydrophobicContact CD2-CD1 3.27Å; Y160-I165 HydrophobicContact CD2-CG1 3.99Å; Y160-I165 HydrophobicContact CE2-CD1 3.97Å; Y160-I165 HydrophobicContact CG-CD1 3.72Å; Y160-I165 HydrophobicContact CG-CG1 3.91Å; S161-I165 PolarHBondContact O-N 2.95Å; G162-I165 WeakPolarHBondContact CA-O 3.37Å
166N95.3Very high93.2Very high28 Ų2854.2 Ų54.215%0.1528%0.275CS..EExtended strand (participates in β ladder)trans-102.296.4173.8176.728000108.8P37 V38 N39 V40 R192 M205P37-N166 HydrophobicContact CB-CB 3.9Å; P37-N166 HydrophobicContact CG-CB 4.08Å; V38-N166 PolarHBondContact O-N 3.07Å; N39-N166 WeakPolarHBondContact OD1-CB 3.27Å; N39-N166 PolarHBondContact OD1-ND2 3.44Å; V40-N166 PolarHBondContact N-O 3.26Å; N166-R192 PolarHBondContact OD1-NH2 3.2Å; N166-M205 HydrophobicContact CB-SD 4.44Å; N166-M205 PolarHBondContact OD1-SD 3.45Å; N166-M205 VanDerWaalsContact OD1-SD 3.38Å
167L96.1Very high93.1Very high2 Ų255.9 Ų55.91%0.0128%0.282CS..EExtended strand (participates in β ladder)trans-80.2121.8-179.1-168.165.2000110.7V40 L42 I99 R192 M205 V207V40-L167 HydrophobicContact CB-CD1 4.23Å; V40-L167 HydrophobicContact CG1-CD1 4.26Å; V40-L167 WeakPolarHBondContact O-CA 3.27Å; L42-L167 HydrophobicContact CB-CD1 3.95Å; I99-L167 HydrophobicContact CD1-CD1 3.52Å; I99-L167 HydrophobicContact CG1-CD1 4.23Å; L167-R192 PolarHBondContact O-NE 2.95Å; L167-M205 HydrophobicContact CB-CB 4.39Å; L167-V207 HydrophobicContact CD2-CB 4.13Å; L167-V207 HydrophobicContact CD2-CG2 3.81Å; L167-V207 HydrophobicContact CG-CG2 3.71Å
168M95.2Very high93.1Very high56 Ų5660.7 Ų60.728%0.27631%0.306SS..EExtended strand (participates in β ladder)trans-115.9142.5-178.7-63-172.4-61.800111.1N39 V40 T41 L42 G170N39-M168 HydrophobicContact CB-CE 3.85Å; V40-M168 PolarHBondContact O-N 2.93Å; T41-M168 WeakPolarHBondContact CA-O 3.26Å; L42-M168 PolarHBondContact N-O 3.35Å; M168-G170 PolarHBondContact O-N 2.81Å
169P95.7Very high93.1Very high55 Ų5560.8 Ų60.836%0.35731%0.313SS..EExtended strand (participates in β ladder)trans-71.3127.4176.630.5-34.1000110.2V190 R192 V207P169-V190 HydrophobicContact CB-CG1 4.33Å; P169-V190 HydrophobicContact CB-CG2 3.61Å; P169-R192 HydrophobicContact CG-CB 4.34Å; P169-V207 HydrophobicContact CB-CG1 4.22Å
170G92.7Very high93Very high17 Ų1758.1 Ų58.118%0.17530%0.295CS..EExtended strand (participates in β ladder)trans-92.8-169.8174.100000112.9T41 L42 M168T41-G170 VanDerWaalsContact CG2-CA 3.42Å; L42-G170 WeakPolarHBondContact O-CA 3.45Å; L42-G170 PolarHBondContact O-N 3.45Å; M168-G170 PolarHBondContact O-N 2.81Å
171K91.9Very high92.9Very high136 Ų13659.5 Ų59.559%0.59132%0.324SS*.EExtended strand (participates in β ladder)trans-69.6135.8177.5-168.6179179.1-171.40110.2G43 I44 V173G43-K171 VanDerWaalsContact CA-O 3.27Å; G43-K171 WeakPolarHBondContact CA-O 3.47Å; I44-K171 PolarHBondContact N-O 2.77Å; K171-V173 HydrophobicContact CD-CG2 4Å; K171-V173 HydrophobicContact CG-CG2 4.06Å
172V94.2Very high92.7Very high40 Ų4062 Ų6224%0.24234%0.335CS..EExtended strand (participates in β ladder)trans-93.6121.6166.3178.60000107.3I44 T174 V188 V190 F209I44-V172 HydrophobicContact CG2-CB 4.44Å; I44-V172 HydrophobicContact CG2-CG1 4.08Å; I44-V172 HydrophobicContact CG2-CG2 4.13Å; I44-V172 WeakPolarHBondContact O-CA 3.31Å; V172-T174 HydrophobicContact CG1-CG2 4.33Å; V172-V188 HydrophobicContact CG1-CB 3.83Å; V172-V188 HydrophobicContact CG1-CG1 4.16Å; V172-V190 HydrophobicContact CG2-CB 4.24Å; V172-V190 HydrophobicContact CG2-CG1 4.33Å; V172-F209 HydrophobicContact CG2-CD1 3.98Å; V172-F209 HydrophobicContact CG2-CE1 3.85Å
173V92.1Very high92.8Very high17 Ų1762 Ų6210%0.10333%0.332CS..EExtended strand (participates in β ladder)trans-113124.8177.5-174.40000109.3I44 D45 L46 K171 D175I44-V173 PolarHBondContact O-N 3.22Å; D45-V173 WeakPolarHBondContact CA-O 3.49Å; D45-V173 HydrophobicContact CB-CB 4.28Å; D45-V173 WeakPolarHBondContact OD1-CB 3.24Å; D45-V173 WeakPolarHBondContact OD1-CG2 3.38Å; L46-V173 PolarHBondContact N-O 2.92Å; L46-V173 VanDerWaalsContact N-O 3.08Å; K171-V173 HydrophobicContact CD-CG2 4Å; K171-V173 HydrophobicContact CG-CG2 4.06Å; V173-D175 HydrophobicContact CG1-CB 4.15Å
174T90.8Very high92.8Very high55 Ų5557.7 Ų57.734%0.33732%0.319SS..  trans-120.97.317655.40000111.9V172 T176 Y177 L185 V188V172-T174 HydrophobicContact CG1-CG2 4.33Å; T174-T176 VanDerWaalsContact C-N 3.26Å; T174-T176 PolarHBondContact O-N 3.47Å; T174-Y177 WeakPolarHBondContact O-CB 3.48Å; T174-Y177 PolarHBondContact O-N 3.46Å; T174-Y177 VanDerWaalsContact O-N 3.14Å; T174-L185 HydrophobicContact CG2-CD2 3.99Å; T174-V188 HydrophobicContact CG2-CG2 4.41Å
175D89.6Confident92.9Very high137 Ų13756.3 Ų56.373%0.73331%0.314SS*.THydrogen-bonded Turntrans-67.4-28.3-175.2-59.2-21.2000112.3V173V173-D175 HydrophobicContact CG1-CB 4.15Å
176T89.5Confident92.8Very high71 Ų7160 Ų6044%0.43633%0.331SS..THydrogen-bonded Turntrans-97.212.917762.90000112.7Q47 T174 I178Q47-T176 VanDerWaalsContact CD-OG1 3.28Å; Q47-T176 PolarHBondContact NE2-OG1 2.86Å; Q47-T176 PolarHBondContact OE1-O 3.19Å; Q47-T176 PolarHBondContact OE1-OG1 3.01Å; T174-T176 VanDerWaalsContact C-N 3.26Å; T174-T176 PolarHBondContact O-N 3.47Å; T176-I178 PolarHBondContact O-N 3.4Å
177Y93.2Very high92.8Very high36 Ų3659.7 Ų59.714%0.14134%0.335CS..PPolyproline II helixtrans-67.5123-179.1178.3-109.1000111L46 Q47 I49 T174 L185L46-Y177 HydrophobicContact CD2-CD2 4.16Å; L46-Y177 HydrophobicContact CD2-CE2 4.14Å; L46-Y177 HydrophobicContact CG-CD2 3.96Å; L46-Y177 HydrophobicContact CG-CE2 4.21Å; Q47-Y177 WeakPolarHBondContact O-CA 3.42Å; I49-Y177 HydrophobicContact CD1-CE2 4.46Å; I49-Y177 HydrophobicContact CG1-CE2 4.13Å; T174-Y177 WeakPolarHBondContact O-CB 3.48Å; T174-Y177 PolarHBondContact O-N 3.46Å; T174-Y177 VanDerWaalsContact O-N 3.14Å; Y177-L185 HydrophobicContact CD1-CB 4.36Å; Y177-L185 HydrophobicContact CD1-CD2 4.01Å; Y177-L185 HydrophobicContact CD2-CD2 4.18Å; Y177-L185 HydrophobicContact CE1-CB 3.76Å; Y177-L185 HydrophobicContact CE1-CD2 4.11Å; Y177-L185 HydrophobicContact CE2-CD2 4.29Å; Y177-L185 HydrophobicContact CG-CD2 4.03Å
178I94Very high92.8Very high107 Ų10760.3 Ų60.355%0.54934%0.339SS..PPolyproline II helixtrans-80.8118.8171.2-57.6173.6000107.7Q47 Q48 T176 N180Q47-I178 PolarHBondContact O-N 3.29Å; Q48-I178 HydrophobicContact CB-CB 4.37Å; T176-I178 PolarHBondContact O-N 3.4Å; I178-N180 PolarHBondContact O-N 3.46Å
179E91.9Very high92.8Very high153 Ų15361.1 Ų61.172%0.71535%0.348SS*.PPolyproline II helixtrans-59.4133.3179.7-66.5-171.1-177.800111.9
180N90.1Very high92.9Very high31 Ų3161.1 Ų61.117%0.16635%0.347CS..PPolyproline II helixtrans-87.4141.4176.8-173-68.6000110.6I49 I178 E182 W183 R216I49-N180 PolarHBondContact O-ND2 3.43Å; I178-N180 PolarHBondContact O-N 3.46Å; N180-E182 PolarHBondContact O-N 3.29Å; N180-E182 WeakPolarHBondContact OD1-CB 3.48Å; N180-E182 PolarHBondContact OD1-N 3.3Å; N180-W183 HydrophobicContact CB-CB 4.37Å; N180-W183 PolarHBondContact OD1-N 2.94Å; N180-W183 VanDerWaalsContact OD1-N 3.1Å; N180-R216 PolarHBondContact O-NE 3.36Å
181G90Very high93Very high76 Ų7666.8 Ų66.878%0.78437%0.367SS*.SBendtrans-72.2-14.7-178.200000114.6R216G181-R216 VanDerWaalsContact O-CD 3.28Å; G181-R216 WeakPolarHBondContact O-CD 3.24Å
182E90.7Very high93.2Very high63 Ų6364.9 Ų64.929%0.29436%0.356SS..SBendtrans-114.1-35.5-179.3-175.2179.4178.300112.2N180 R215 R216 Y220N180-E182 PolarHBondContact O-N 3.29Å; N180-E182 WeakPolarHBondContact OD1-CB 3.48Å; N180-E182 PolarHBondContact OD1-N 3.3Å; E182-R215 IonicContact OE1-NH1 3.61Å; E182-R215 PolarHBondContact OE1-NH1 2.91Å; E182-R216 VanDerWaalsContact O-CB 3.3Å; E182-R216 WeakPolarHBondContact O-CB 3.35Å; E182-R216 WeakPolarHBondContact O-CG 3.32Å; E182-R216 PolarHBondContact O-N 3.3Å; E182-Y220 PolarHBondContact OE1-OH 2.94Å
183W93.6Very high93.3Very high4 Ų464.9 Ų64.92%0.01536%0.355CS..EExtended strand (participates in β ladder)trans-114.8134.5-172.7-61.696.4000112.4I52 Q149 N180 V213 R215I52-W183 HydrophobicContact CB-CZ2 4.1Å; I52-W183 HydrophobicContact CD1-CD2 3.78Å; I52-W183 HydrophobicContact CD1-CE3 4.3Å; I52-W183 HydrophobicContact CD1-CG 4.01Å; I52-W183 HydrophobicContact CD1-CZ2 4.12Å; I52-W183 HydrophobicContact CG2-CZ2 4.13Å; Q149-W183 HydrophobicContact CB-CZ3 4.4Å; Q149-W183 HydrophobicContact CG-CH2 3.87Å; Q149-W183 HydrophobicContact CG-CZ3 3.84Å; N180-W183 HydrophobicContact CB-CB 4.37Å; N180-W183 PolarHBondContact OD1-N 2.94Å; N180-W183 VanDerWaalsContact OD1-N 3.1Å; W183-V213 HydrophobicContact CB-CB 4.35Å; W183-V213 HydrophobicContact CD2-CG2 4.27Å; W183-V213 HydrophobicContact CE3-CB 3.99Å; W183-V213 HydrophobicContact CE3-CG2 3.6Å; W183-V213 HydrophobicContact CZ3-CG2 3.99Å; W183-R215 HydrophobicContact CE3-CB 4.09Å; W183-R215 HydrophobicContact CH2-CB 4.24Å; W183-R215 HydrophobicContact CH2-CG 4.45Å; W183-R215 VanDerWaalsContact CZ2-CZ 3.48Å; W183-R215 HydrophobicContact CZ3-CB 3.75Å; W183-R215 HydrophobicContact CZ3-CG 4.36Å
184I94.1Very high93.4Very high59 Ų5968.1 Ų68.130%0.30338%0.375SS..EExtended strand (participates in β ladder)trans-98.2122.2172.2-58.4169.5000107.9M186 V213 R214 R216I184-M186 HydrophobicContact CG2-SD 4.16Å; I184-M186 PolarHBondContact O-N 3.48Å; I184-V213 CarbonylContact O-C 3.47Å; I184-V213 WeakPolarHBondContact O-CA 3.27Å; I184-R214 HydrophobicContact CB-CB 4.38Å; I184-R214 PolarHBondContact N-O 3.13Å; I184-R214 PolarHBondContact O-N 3.44Å; I184-R216 HydrophobicContact CD1-CG 3.91Å; I184-R216 HydrophobicContact CG1-CG 3.75Å
185L95.2Very high93.5Very high36 Ų3670.7 Ų70.719%0.18838%0.381CS..EExtended strand (participates in β ladder)trans-75.3114.1174.2-176.867.6000110L46 T174 Y177 V188 I211 V213L46-L185 HydrophobicContact CD2-CD1 3.99Å; L46-L185 HydrophobicContact CD2-CD2 3.89Å; T174-L185 HydrophobicContact CG2-CD2 3.99Å; Y177-L185 HydrophobicContact CD1-CB 4.36Å; Y177-L185 HydrophobicContact CD1-CD2 4.01Å; Y177-L185 HydrophobicContact CD2-CD2 4.18Å; Y177-L185 HydrophobicContact CE1-CB 3.76Å; Y177-L185 HydrophobicContact CE1-CD2 4.11Å; Y177-L185 HydrophobicContact CE2-CD2 4.29Å; Y177-L185 HydrophobicContact CG-CD2 4.03Å; L185-V188 HydrophobicContact CD1-CG2 3.95Å; L185-I211 HydrophobicContact CD1-CG2 4.06Å; L185-V213 HydrophobicContact CD1-CG1 4.18Å
186M93.7Very high93.6Very high80 Ų8070.5 Ų70.539%0.39437%0.374SS..EExtended strand (participates in β ladder)trans-85-31.5176.5-61.2-56.7-60.900111.7I184 W212 R214I184-M186 HydrophobicContact CG2-SD 4.16Å; I184-M186 PolarHBondContact O-N 3.48Å; M186-W212 HydrophobicContact CB-CB 4.36Å; M186-W212 HydrophobicContact CB-CD2 3.86Å; M186-W212 HydrophobicContact CB-CE3 4.3Å; M186-W212 HydrophobicContact CB-CG 3.88Å; M186-W212 WeakPolarHBondContact CB-O 3.41Å; M186-W212 HydrophobicContact CG-CG 4.49Å; M186-W212 PolarHBondContact N-O 3.19Å; M186-R214 HydrophobicContact CG-CB 4.07Å; M186-R214 HydrophobicContact SD-CB 4.14Å
187G94Very high93.7Very high22 Ų2270.2 Ų70.223%0.22737%0.366CS..EExtended strand (participates in β ladder)trans161.9172174.900000113W212G187-W212 PolarHBondContact N-O 2.89Å; G187-W212 WeakPolarHBondContact O-CB 3.15Å; G187-W212 PolarHBondContact O-N 3.32Å
188V96.1Very high93.7Very high16 Ų1674.2 Ų74.210%0.09741%0.406CS..  trans-12874.4178-173.40000110.3L46 V172 T174 L185 F209 T210 I211L46-V188 HydrophobicContact CD2-CG2 3.93Å; V172-V188 HydrophobicContact CG1-CB 3.83Å; V172-V188 HydrophobicContact CG1-CG1 4.16Å; T174-V188 HydrophobicContact CG2-CG2 4.41Å; L185-V188 HydrophobicContact CD1-CG2 3.95Å; V188-F209 HydrophobicContact CG1-CB 4.07Å; V188-T210 VanDerWaalsContact CA-O 3.29Å; V188-T210 WeakPolarHBondContact CA-O 3.47Å; V188-I211 HydrophobicContact CG1-CG1 4.4Å
189P96.5Very high93.6Very high72 Ų7274.3 Ų74.347%0.46842%0.415SS..  trans-61.5138175.821.1-32000111.8T210P189-T210 WeakPolarHBondContact CD-O 3.35Å; P189-T210 PolarHBondContact O-N 3.24Å
190V96.2Very high93.5Very high56 Ų5668.6 Ų68.634%0.33939%0.391SS..EExtended strand (participates in β ladder)trans-108.3135.7178.861.90000110.4P169 V172 V207 F209P169-V190 HydrophobicContact CB-CG1 4.33Å; P169-V190 HydrophobicContact CB-CG2 3.61Å; V172-V190 HydrophobicContact CG2-CB 4.24Å; V172-V190 HydrophobicContact CG2-CG1 4.33Å; V190-V207 HydrophobicContact CG2-CG1 3.57Å; V190-F209 HydrophobicContact CB-CD1 3.87Å; V190-F209 HydrophobicContact CB-CE1 3.97Å; V190-F209 HydrophobicContact CG2-CD1 3.72Å; V190-F209 HydrophobicContact CG2-CE1 3.51Å; V190-F209 HydrophobicContact CG2-CZ 4.19Å
191K95.9Very high93.6Very high135 Ų13571.3 Ų71.359%0.58741%0.411SS*.EExtended strand (participates in β ladder)trans-132.4128.9175.7-171-176.6178.8-167.50110.2N193 T208K191-N193 VanDerWaalsContact CD-OD1 3.32Å; K191-N193 WeakPolarHBondContact CD-OD1 3.34Å; K191-N193 WeakPolarHBondContact CE-OD1 3.39Å; K191-T208 PolarHBondContact N-O 3.33Å; K191-T208 PolarHBondContact O-N 2.91Å
192R95.9Very high93.7Very high96 Ų9671 Ų7136%0.36239%0.389SS..EExtended strand (participates in β ladder)trans-88.6130.6168.7-178.4-178.5168.7-175.1-0.1109.4N166 L167 P169 M205 D206N166-R192 PolarHBondContact OD1-NH2 3.2Å; L167-R192 PolarHBondContact O-NE 2.95Å; P169-R192 HydrophobicContact CG-CB 4.34Å; R192-M205 PolarHBondContact NH2-SD 3.29Å; R192-D206 WeakPolarHBondContact CA-O 3.4Å
193N95.4Very high93.9Very high40 Ų4069.4 Ų69.421%0.21438%0.384CS..EExtended strand (participates in β ladder)trans-122.1153.8175.2-48.6-62.7000110.6K191 M205 D206 T208K191-N193 VanDerWaalsContact CD-OD1 3.32Å; K191-N193 WeakPolarHBondContact CD-OD1 3.34Å; K191-N193 WeakPolarHBondContact CE-OD1 3.39Å; N193-M205 WeakPolarHBondContact O-CA 3.43Å; N193-D206 PolarHBondContact N-O 3.05Å; N193-D206 PolarHBondContact ND2-OD2 3.34Å; N193-D206 PolarHBondContact O-N 3.04Å; N193-T208 PolarHBondContact ND2-OG1 3.29Å; N193-T208 VanDerWaalsContact ND2-OG1 3.15Å
194T94.7Very high93.9Very high85 Ų8570.6 Ų70.652%0.52139%0.389SS..EExtended strand (participates in β ladder)trans-122.7120.8169-55.70000107.1P203 Y204T194-P203 HydrophobicContact CG2-CB 3.67Å; T194-Y204 CarbonylContact C-O 3.58Å; T194-Y204 WeakPolarHBondContact CA-O 3.16Å
195F92.2Very high94Very high109 Ų10969.5 Ų69.548%0.47838%0.383SS..EExtended strand (participates in β ladder)trans-127142.4-175.3-163.6-95000110.9Y197 Y204F195-Y197 HydrophobicContact CB-CE2 4.43Å; F195-Y197 AromaticContact CD1-CD1 3.78Å; F195-Y197 HydrophobicContact CD1-CD1 3.78Å; F195-Y197 AromaticContact CD1-CD2 3.99Å; F195-Y197 HydrophobicContact CD1-CD2 3.99Å; F195-Y197 AromaticContact CD1-CE1 3.75Å; F195-Y197 HydrophobicContact CD1-CE1 3.75Å; F195-Y197 AromaticContact CD1-CE2 3.93Å; F195-Y197 HydrophobicContact CD1-CE2 3.93Å; F195-Y197 AromaticContact CD1-CG 3.91Å; F195-Y197 HydrophobicContact CD1-CG 3.91Å; F195-Y197 AromaticContact CD1-CZ 3.82Å; F195-Y197 AromaticContact CE1-CD1 3.82Å; F195-Y197 HydrophobicContact CE1-CD1 3.82Å; F195-Y197 AromaticContact CE1-CE1 3.99Å; F195-Y197 HydrophobicContact CE1-CE1 3.99Å; F195-Y197 HydrophobicContact CE1-CG 4.23Å; F195-Y204 PolarHBondContact N-O 3.15Å; F195-Y204 PolarHBondContact O-N 3.42Å
196K93.3Very high94Very high133 Ų13367.9 Ų67.958%0.57837%0.374SS*.EExtended strand (participates in β ladder)trans-109.4113.9174-179.6167.8170.6156.70108.8P201K196-P201 WeakPolarHBondContact CD-O 3.34Å; K196-P201 WeakPolarHBondContact CE-O 3.39Å; K196-P201 PolarHBondContact NZ-O 3.23Å
197Y91.4Very high94.1Very high66 Ų6664 Ų6426%0.25936%0.355SS..  trans-80.9154.2-178-70-83000111.4Y102 K154 F195 C199 C200 Y204Y102-Y197 WeakPolarHBondContact CE2-OH 3.49Å; K154-Y197 PolarHBondContact NZ-OH 3.15Å; F195-Y197 HydrophobicContact CB-CE2 4.43Å; F195-Y197 AromaticContact CD1-CD1 3.78Å; F195-Y197 HydrophobicContact CD1-CD1 3.78Å; F195-Y197 AromaticContact CD1-CD2 3.99Å; F195-Y197 HydrophobicContact CD1-CD2 3.99Å; F195-Y197 AromaticContact CD1-CE1 3.75Å; F195-Y197 HydrophobicContact CD1-CE1 3.75Å; F195-Y197 AromaticContact CD1-CE2 3.93Å; F195-Y197 HydrophobicContact CD1-CE2 3.93Å; F195-Y197 AromaticContact CD1-CG 3.91Å; F195-Y197 HydrophobicContact CD1-CG 3.91Å; F195-Y197 AromaticContact CD1-CZ 3.82Å; F195-Y197 AromaticContact CE1-CD1 3.82Å; F195-Y197 HydrophobicContact CE1-CD1 3.82Å; F195-Y197 AromaticContact CE1-CE1 3.99Å; F195-Y197 HydrophobicContact CE1-CE1 3.99Å; F195-Y197 HydrophobicContact CE1-CG 4.23Å; Y197-C199 PolarHBondContact O-N 3.15Å; Y197-C200 PolarHBondContact O-N 3.21Å; Y197-Y204 AromaticContact CD2-CD2 3.86Å; Y197-Y204 HydrophobicContact CD2-CD2 3.86Å; Y197-Y204 AromaticContact CD2-CG 3.99Å; Y197-Y204 HydrophobicContact CD2-CG 3.99Å; Y197-Y204 HydrophobicContact CE2-CD2 4.49Å; Y197-Y204 HydrophobicContact CE2-CG 4.16Å
198A92.7Very high94.3Very high120 Ų12063.8 Ų63.899%0.99235%0.35SS*.THydrogen-bonded Turntrans-65.6-24.7-179.300000113.5
199C92Very high94.3Very high109 Ų10963 Ų6374%0.73635%0.345SS*.THydrogen-bonded Turntrans-75.5-24.9179.151.80000113.9Y197Y197-C199 PolarHBondContact O-N 3.15Å
200C90.5Very high94.3Very high32 Ų3261 Ų6122%0.21633%0.331CS..  trans-136.1136.7-166.4-61.90000112Y197 E202 Y204Y197-C200 PolarHBondContact O-N 3.21Å; C200-E202 VanDerWaalsContact C-N 3.27Å; C200-E202 PolarHBondContact O-N 3Å; C200-Y204 HydrophobicContact CB-CE2 3.7Å
201P91.1Very high94.3Very high88 Ų8858.5 Ų58.557%0.57132%0.316SS*.SBendtrans-71.9-19.5177.828.4-33.7000113.6K196K196-P201 WeakPolarHBondContact CD-O 3.34Å; K196-P201 WeakPolarHBondContact CE-O 3.39Å; K196-P201 PolarHBondContact NZ-O 3.23Å
202E92.8Very high94.3Very high69 Ų6956 Ų5632%0.32230%0.303SS..SBendtrans-81.3150.1-176.8-55.280.8-173.700113Y163 C200 Y204Y163-E202 HydrophobicContact CD2-CB 4.34Å; Y163-E202 HydrophobicContact CD2-CG 4.22Å; Y163-E202 HydrophobicContact CE2-CB 4.21Å; Y163-E202 HydrophobicContact CE2-CG 4.18Å; C200-E202 VanDerWaalsContact C-N 3.27Å; C200-E202 PolarHBondContact O-N 3Å; E202-Y204 WeakPolarHBondContact O-CD2 3.42Å
203P94.2Very high94.3Very high30 Ų3051.4 Ų51.420%0.19529%0.286CS..EExtended strand (participates in β ladder)trans-75.9137.2170.131.5-32.1000110.8G162 Y163 T194G162-P203 WeakPolarHBondContact CA-O 3.22Å; G162-P203 PolarHBondContact N-O 3.48Å; Y163-P203 HydrophobicContact CE2-CG 4.2Å; T194-P203 HydrophobicContact CG2-CB 3.67Å
204Y94.8Very high94.2Very high30 Ų3052.1 Ų52.112%0.11829%0.285CS..EExtended strand (participates in β ladder)trans-107.3141.6171.8-73.1-103000109.2T194 F195 Y197 C200 E202T194-Y204 CarbonylContact C-O 3.58Å; T194-Y204 WeakPolarHBondContact CA-O 3.16Å; F195-Y204 PolarHBondContact N-O 3.15Å; F195-Y204 PolarHBondContact O-N 3.42Å; Y197-Y204 AromaticContact CD2-CD2 3.86Å; Y197-Y204 HydrophobicContact CD2-CD2 3.86Å; Y197-Y204 AromaticContact CD2-CG 3.99Å; Y197-Y204 HydrophobicContact CD2-CG 3.99Å; Y197-Y204 HydrophobicContact CE2-CD2 4.49Å; Y197-Y204 HydrophobicContact CE2-CG 4.16Å; C200-Y204 HydrophobicContact CB-CE2 3.7Å; E202-Y204 WeakPolarHBondContact O-CD2 3.42Å
205M94.7Very high94.1Very high35 Ų3548.3 Ų48.317%0.17226%0.261CS..EExtended strand (participates in β ladder)trans-107.3133.5-179.5-61.5-177.7-177.200110.1N166 L167 R192 N193N166-M205 HydrophobicContact CB-SD 4.44Å; N166-M205 PolarHBondContact OD1-SD 3.45Å; N166-M205 VanDerWaalsContact OD1-SD 3.38Å; L167-M205 HydrophobicContact CB-CB 4.39Å; R192-M205 PolarHBondContact NH2-SD 3.29Å; N193-M205 WeakPolarHBondContact O-CA 3.43Å
206D95.6Very high94.1Very high2 Ų247.7 Ų47.71%0.01126%0.256CS..EExtended strand (participates in β ladder)trans-130.6151.3176.268.9-102000111.5K154 F155 R192 N193 T208K154-D206 WeakPolarHBondContact CE-OD1 3.4Å; K154-D206 WeakPolarHBondContact CE-OD2 3.49Å; K154-D206 HydrophobicContact CG-CB 4.22Å; K154-D206 IonicContact NZ-OD1 3.29Å; K154-D206 PolarHBondContact NZ-OD1 3.21Å; F155-D206 CarbonylContact O-C 3.5Å; F155-D206 WeakPolarHBondContact O-CA 3.33Å; F155-D206 VanDerWaalsContact O-CB 3.31Å; F155-D206 WeakPolarHBondContact O-CB 3.42Å; R192-D206 WeakPolarHBondContact CA-O 3.4Å; N193-D206 PolarHBondContact N-O 3.05Å; N193-D206 PolarHBondContact ND2-OD2 3.34Å; N193-D206 PolarHBondContact O-N 3.04Å; D206-T208 PolarHBondContact OD2-OG1 2.93Å; D206-T208 VanDerWaalsContact OD2-OG1 3.11Å
207V96.6Very high93.8Very high0 Ų043.8 Ų43.80%024%0.243CC..EExtended strand (participates in β ladder)trans-115.7116.4171.8175.10000107.3L42 F155 L167 P169 V190 F209L42-V207 HydrophobicContact CD2-CB 4.42Å; F155-V207 PolarHBondContact N-O 3.27Å; F155-V207 PolarHBondContact O-N 3.43Å; L167-V207 HydrophobicContact CD2-CB 4.13Å; L167-V207 HydrophobicContact CD2-CG2 3.81Å; L167-V207 HydrophobicContact CG-CG2 3.71Å; P169-V207 HydrophobicContact CB-CG1 4.22Å; V190-V207 HydrophobicContact CG2-CG1 3.57Å; V207-F209 HydrophobicContact CG1-CD2 4.33Å; V207-F209 HydrophobicContact CG1-CE1 4.29Å; V207-F209 HydrophobicContact CG1-CE2 3.72Å; V207-F209 HydrophobicContact CG1-CZ 3.7Å
208T97Very high93.6Very high17 Ų1746.7 Ų46.710%0.10426%0.263CS..EExtended strand (participates in β ladder)trans-103.1116.8179.1-570000109.7T152 L153 K191 N193 D206T152-T208 HydrophobicContact CG2-CG2 4.03Å; L153-T208 WeakPolarHBondContact O-CA 3.35Å; K191-T208 PolarHBondContact N-O 3.33Å; K191-T208 PolarHBondContact O-N 2.91Å; N193-T208 PolarHBondContact ND2-OG1 3.29Å; N193-T208 VanDerWaalsContact ND2-OG1 3.15Å; D206-T208 PolarHBondContact OD2-OG1 2.93Å; D206-T208 VanDerWaalsContact OD2-OG1 3.11Å
209F96.9Very high93.5Very high0 Ų048.2 Ų48.20%024%0.244CC..EExtended strand (participates in β ladder)trans-92.8130.3168.2-59.2-83.7000108.8L42 I44 T152 L153 F155 V172 V188 V190 V207L42-F209 HydrophobicContact CD2-CE2 3.98Å; L42-F209 HydrophobicContact CG-CE2 4.12Å; L42-F209 HydrophobicContact CG-CZ 4.27Å; L42-F209 WeakPolarHBondContact O-CZ 3.39Å; I44-F209 HydrophobicContact CB-CD1 4.33Å; I44-F209 HydrophobicContact CB-CE1 4.12Å; I44-F209 HydrophobicContact CB-CE2 4.36Å; I44-F209 HydrophobicContact CB-CZ 4.13Å; I44-F209 HydrophobicContact CD1-CD2 4.37Å; I44-F209 HydrophobicContact CD1-CG 4.43Å; I44-F209 HydrophobicContact CG2-CD1 3.49Å; I44-F209 VanDerWaalsContact CG2-CD1 3.49Å; I44-F209 HydrophobicContact CG2-CD2 4.46Å; I44-F209 HydrophobicContact CG2-CE1 3.56Å; I44-F209 HydrophobicContact CG2-CG 3.97Å; I44-F209 HydrophobicContact CG2-CZ 4.09Å; T152-F209 CarbonylContact C-O 3.58Å; T152-F209 WeakPolarHBondContact CA-O 3.39Å; L153-F209 HydrophobicContact CB-CB 4.38Å; L153-F209 PolarHBondContact N-O 2.89Å; L153-F209 PolarHBondContact O-N 2.91Å; F155-F209 AromaticContact CD2-CD2 3.82Å; F155-F209 HydrophobicContact CD2-CD2 3.82Å; F155-F209 AromaticContact CD2-CE2 3.97Å; F155-F209 HydrophobicContact CD2-CE2 3.97Å; F155-F209 HydrophobicContact CE2-CD2 4.03Å; F155-F209 HydrophobicContact CE2-CE2 4.37Å; V172-F209 HydrophobicContact CG2-CD1 3.98Å; V172-F209 HydrophobicContact CG2-CE1 3.85Å; V188-F209 HydrophobicContact CG1-CB 4.07Å; V190-F209 HydrophobicContact CB-CD1 3.87Å; V190-F209 HydrophobicContact CB-CE1 3.97Å; V190-F209 HydrophobicContact CG2-CD1 3.72Å; V190-F209 HydrophobicContact CG2-CE1 3.51Å; V190-F209 HydrophobicContact CG2-CZ 4.19Å; V207-F209 HydrophobicContact CG1-CD2 4.33Å; V207-F209 HydrophobicContact CG1-CE1 4.29Å; V207-F209 HydrophobicContact CG1-CE2 3.72Å; V207-F209 HydrophobicContact CG1-CZ 3.7Å
210T96.8Very high93.2Very high30 Ų3044.7 Ų44.718%0.18422%0.215CC..EExtended strand (participates in β ladder)trans-110.1108.5177.7-51.50000109.1K150 C151 T152 V188 P189 W212K150-T210 HydrophobicContact CB-CG2 4Å; C151-T210 CarbonylContact O-C 3.42Å; C151-T210 WeakPolarHBondContact O-CA 3.38Å; T152-T210 HydrophobicContact CG2-CG2 4.2Å; V188-T210 VanDerWaalsContact CA-O 3.29Å; V188-T210 WeakPolarHBondContact CA-O 3.47Å; P189-T210 WeakPolarHBondContact CD-O 3.35Å; P189-T210 PolarHBondContact O-N 3.24Å; T210-W212 PolarHBondContact O-N 3.01Å
211I96.1Very high92.9Very high2 Ų244.1 Ų44.11%0.0122%0.215CC..EExtended strand (participates in β ladder)trans-75.8111.2173.5-56.4-177.8000107.8L46 I49 I59 T61 K150 C151 L153 L185 V188 V213L46-I211 HydrophobicContact CD1-CD1 4.37Å; I49-I211 HydrophobicContact CD1-CG2 4.04Å; I59-I211 HydrophobicContact CD1-CD1 4.29Å; I59-I211 HydrophobicContact CD1-CG2 4.43Å; T61-I211 HydrophobicContact CG2-CD1 3.64Å; K150-I211 WeakPolarHBondContact CA-O 3.37Å; C151-I211 PolarHBondContact N-O 3.26Å; C151-I211 PolarHBondContact O-N 3.03Å; L153-I211 HydrophobicContact CD1-CD1 3.85Å; L153-I211 HydrophobicContact CD1-CG1 4.4Å; L153-I211 HydrophobicContact CG-CD1 4.39Å; L185-I211 HydrophobicContact CD1-CG2 4.06Å; V188-I211 HydrophobicContact CG1-CG1 4.4Å; I211-V213 HydrophobicContact CG2-CG1 3.95Å
212W95.8Very high92.7Very high82 Ų8246 Ų4631%0.31121%0.214SC..EExtended strand (participates in β ladder)trans-102.1115.1176.8-177.18.1000109.5Q149 K150 M186 G187 T210Q149-W212 WeakPolarHBondContact O-CA 3.49Å; K150-W212 HydrophobicContact CG-CB 4.41Å; K150-W212 HydrophobicContact CG-CG 4.14Å; M186-W212 HydrophobicContact CB-CB 4.36Å; M186-W212 HydrophobicContact CB-CD2 3.86Å; M186-W212 HydrophobicContact CB-CE3 4.3Å; M186-W212 HydrophobicContact CB-CG 3.88Å; M186-W212 WeakPolarHBondContact CB-O 3.41Å; M186-W212 HydrophobicContact CG-CG 4.49Å; M186-W212 PolarHBondContact N-O 3.19Å; G187-W212 PolarHBondContact N-O 2.89Å; G187-W212 WeakPolarHBondContact O-CB 3.15Å; G187-W212 PolarHBondContact O-N 3.32Å; T210-W212 PolarHBondContact O-N 3.01Å
213V94.9Very high92.4Very high1 Ų147 Ų471%0.00622%0.222CC..EExtended strand (participates in β ladder)trans-124.7154.8179.9-66.80000112.1I49 I52 D148 Q149 W183 I184 L185 I211I49-V213 HydrophobicContact CD1-CG1 3.48Å; I49-V213 VanDerWaalsContact CD1-CG1 3.48Å; I52-V213 HydrophobicContact CD1-CG2 3.85Å; D148-V213 CarbonylContact C-O 3.57Å; D148-V213 WeakPolarHBondContact CA-O 3.42Å; Q149-V213 HydrophobicContact CB-CG2 3.89Å; Q149-V213 PolarHBondContact N-O 2.92Å; Q149-V213 PolarHBondContact O-N 3.41Å; W183-V213 HydrophobicContact CB-CB 4.35Å; W183-V213 HydrophobicContact CD2-CG2 4.27Å; W183-V213 HydrophobicContact CE3-CB 3.99Å; W183-V213 HydrophobicContact CE3-CG2 3.6Å; W183-V213 HydrophobicContact CZ3-CG2 3.99Å; I184-V213 CarbonylContact O-C 3.47Å; I184-V213 WeakPolarHBondContact O-CA 3.27Å; L185-V213 HydrophobicContact CD1-CG1 4.18Å; I211-V213 HydrophobicContact CG2-CG1 3.95Å
214R93.9Very high91.9Very high54 Ų5446.5 Ų46.520%0.20422%0.217CC..EExtended strand (participates in β ladder)trans-121.2136.7173.1173.4171.1-64.4158.46.4110.2D148 I184 M186D148-R214 WeakPolarHBondContact OD1-CB 3.45Å; D148-R214 WeakPolarHBondContact OD1-CG 3.5Å; D148-R214 IonicContact OD1-CZ 3.74Å; D148-R214 IonicContact OD1-NE 2.88Å; D148-R214 PolarHBondContact OD1-NE 3.37Å; D148-R214 IonicContact OD1-NH2 2.72Å; D148-R214 PolarHBondContact OD1-NH2 3.5Å; D148-R214 IonicContact OD2-CZ 3.49Å; D148-R214 IonicContact OD2-NE 3.88Å; D148-R214 IonicContact OD2-NH2 3.5Å; D148-R214 PolarHBondContact OD2-NH2 3.12Å; I184-R214 HydrophobicContact CB-CB 4.38Å; I184-R214 PolarHBondContact N-O 3.13Å; I184-R214 PolarHBondContact O-N 3.44Å; M186-R214 HydrophobicContact CG-CB 4.07Å; M186-R214 HydrophobicContact SD-CB 4.14Å
215R92.6Very high91.4Very high5 Ų547.6 Ų47.62%0.01923%0.225CC..EExtended strand (participates in β ladder)trans-74.7140.1177.9-167-178.1-62.3-954.6111.9E54 D147 E182 W183 Y220E54-R215 IonicContact OE1-CZ 3.58Å; E54-R215 IonicContact OE1-NH1 2.68Å; E54-R215 PolarHBondContact OE1-NH1 2.96Å; E54-R215 IonicContact OE1-NH2 2.8Å; E54-R215 PolarHBondContact OE1-NH2 3.42Å; D147-R215 PolarHBondContact O-N 2.92Å; D147-R215 WeakPolarHBondContact OD1-CD 3.36Å; D147-R215 IonicContact OD1-NE 2.7Å; D147-R215 PolarHBondContact OD1-NE 3.23Å; D147-R215 IonicContact OD2-CZ 3.07Å; D147-R215 IonicContact OD2-NE 2.61Å; D147-R215 IonicContact OD2-NH2 2.81Å; D147-R215 PolarHBondContact OD2-NH2 2.93Å; E182-R215 IonicContact OE1-NH1 3.61Å; E182-R215 PolarHBondContact OE1-NH1 2.91Å; W183-R215 HydrophobicContact CE3-CB 4.09Å; W183-R215 HydrophobicContact CH2-CB 4.24Å; W183-R215 HydrophobicContact CH2-CG 4.45Å; W183-R215 VanDerWaalsContact CZ2-CZ 3.48Å; W183-R215 HydrophobicContact CZ3-CB 3.75Å; W183-R215 HydrophobicContact CZ3-CG 4.36Å; R215-Y220 HydrophobicContact CG-CE2 4.15Å; R215-Y220 PolarHBondContact NH1-OH 3.45Å; R215-Y220 VanDerWaalsContact NH1-OH 3.1Å
216R91.6Very high91Very high96 Ų9649.6 Ų49.636%0.36224%0.235SC..  trans-79.7120.7168.2-66.7177.9-176.4-848109.3N180 G181 E182 I184N180-R216 PolarHBondContact O-NE 3.36Å; G181-R216 VanDerWaalsContact O-CD 3.28Å; G181-R216 WeakPolarHBondContact O-CD 3.24Å; E182-R216 VanDerWaalsContact O-CB 3.3Å; E182-R216 WeakPolarHBondContact O-CB 3.35Å; E182-R216 WeakPolarHBondContact O-CG 3.32Å; E182-R216 PolarHBondContact O-N 3.3Å; I184-R216 HydrophobicContact CD1-CG 3.91Å; I184-R216 HydrophobicContact CG1-CG 3.75Å
217T88.3Confident90.6Very high52 Ų5250.9 Ų50.932%0.31924%0.244SC..  trans-87.5-15-167.452.90000114.4P145 F146 Y219 Y220 G221P145-T217 WeakPolarHBondContact O-CG2 3.45Å; F146-T217 HydrophobicContact CD1-CG2 3.43Å; F146-T217 VanDerWaalsContact CD1-CG2 3.43Å; F146-T217 HydrophobicContact CE1-CG2 3.72Å; F146-T217 HydrophobicContact CG-CG2 4.21Å; T217-Y219 PolarHBondContact O-N 3.09Å; T217-Y220 PolarHBondContact O-N 3.37Å; T217-G221 PolarHBondContact O-N 3.28Å
218L87.4Confident90Very high126 Ų12651 Ų5166%0.6625%0.245SC*.Hα-helixtrans-59.7-45.6-169.6-171.1151.7000112.9Y220 G221 F222L218-Y220 PolarHBondContact O-N 3.06Å; L218-G221 PolarHBondContact O-N 3.43Å; L218-F222 HydrophobicContact CD2-CD2 3.65Å; L218-F222 HydrophobicContact CD2-CE2 3.78Å; L218-F222 HydrophobicContact CG-CD2 4.07Å; L218-F222 HydrophobicContact CG-CE2 3.97Å; L218-F222 WeakPolarHBondContact O-CD2 3.38Å; L218-F222 PolarHBondContact O-N 3.16Å; L218-F222 VanDerWaalsContact O-N 3.12Å
219Y88.9Confident89.4Confident152 Ų15253.3 Ų53.360%0.59626%0.259SS*.Hα-helixtrans-58.7-46.7179.2175.2-96.5000111.9T217 F222 N223T217-Y219 PolarHBondContact O-N 3.09Å; Y219-F222 PolarHBondContact O-N 3.21Å; Y219-N223 VanDerWaalsContact CD2-ND2 3.27Å; Y219-N223 WeakPolarHBondContact CD2-ND2 3.43Å; Y219-N223 WeakPolarHBondContact CE2-ND2 3.4Å; Y219-N223 WeakPolarHBondContact O-CB 3.12Å; Y219-N223 PolarHBondContact O-N 2.96Å; Y219-N223 PolarHBondContact O-ND2 3.38Å
220Y86.4Confident89Confident35 Ų3558 Ų5814%0.13728%0.283CS..Hα-helixtrans-70.3-32.6178.1-60.3-82.6000112F144 P145 E182 R215 T217 L218 L224 I225F144-Y220 HydrophobicContact CE1-CD1 4.17Å; F144-Y220 HydrophobicContact CE1-CE1 4.38Å; F144-Y220 HydrophobicContact CE2-CE1 4.11Å; F144-Y220 AromaticContact CZ-CD1 3.66Å; F144-Y220 HydrophobicContact CZ-CD1 3.66Å; F144-Y220 AromaticContact CZ-CE1 3.46Å; F144-Y220 HydrophobicContact CZ-CE1 3.46Å; F144-Y220 VanDerWaalsContact CZ-CE1 3.46Å; F144-Y220 HydrophobicContact CZ-CG 4.46Å; P145-Y220 HydrophobicContact CB-CD1 4.47Å; P145-Y220 HydrophobicContact CB-CD2 4.01Å; P145-Y220 HydrophobicContact CB-CG 3.81Å; P145-Y220 HydrophobicContact CG-CG 4.46Å; E182-Y220 PolarHBondContact OE1-OH 2.94Å; R215-Y220 HydrophobicContact CG-CE2 4.15Å; R215-Y220 PolarHBondContact NH1-OH 3.45Å; R215-Y220 VanDerWaalsContact NH1-OH 3.1Å; T217-Y220 PolarHBondContact O-N 3.37Å; L218-Y220 PolarHBondContact O-N 3.06Å; Y220-L224 WeakPolarHBondContact O-CA 3.39Å; Y220-L224 WeakPolarHBondContact O-CB 3.46Å; Y220-L224 PolarHBondContact O-N 2.95Å; Y220-I225 PolarHBondContact O-N 3.24Å; Y220-I225 VanDerWaalsContact O-N 3.08Å
221G84.8Confident88.6Confident20 Ų2057.3 Ų57.321%0.20628%0.278CS..Iπ-helixtrans-56.1-52.4171.900000112.1T217 L218 I225 I226T217-G221 PolarHBondContact O-N 3.28Å; L218-G221 PolarHBondContact O-N 3.43Å; G221-I225 WeakPolarHBondContact O-CB 3.29Å; G221-I225 PolarHBondContact O-N 3.3Å; G221-I226 WeakPolarHBondContact O-CG1 3.45Å; G221-I226 PolarHBondContact O-N 3.41Å
222F87.1Confident88Confident128 Ų12857.6 Ų57.656%0.56128%0.28SS*.Iπ-helixtrans-73-41.9-178.4-80.2-77.8000114L218 Y219 I226 P227L218-F222 HydrophobicContact CD2-CD2 3.65Å; L218-F222 HydrophobicContact CD2-CE2 3.78Å; L218-F222 HydrophobicContact CG-CD2 4.07Å; L218-F222 HydrophobicContact CG-CE2 3.97Å; L218-F222 WeakPolarHBondContact O-CD2 3.38Å; L218-F222 PolarHBondContact O-N 3.16Å; L218-F222 VanDerWaalsContact O-N 3.12Å; Y219-F222 PolarHBondContact O-N 3.21Å; F222-I226 HydrophobicContact CD1-CD1 3.57Å; F222-I226 HydrophobicContact CE1-CD1 3.93Å; F222-I226 HydrophobicContact CG-CD1 4.27Å; F222-P227 VanDerWaalsContact O-CD 3.32Å; F222-P227 WeakPolarHBondContact O-CD 3.29Å
223N86.6Confident87.6Confident90 Ų9056.8 Ų56.848%0.48128%0.284SS..Iπ-helixtrans-92.1-16.9-171.4-67.2-38.7000114.1Y219Y219-N223 VanDerWaalsContact CD2-ND2 3.27Å; Y219-N223 WeakPolarHBondContact CD2-ND2 3.43Å; Y219-N223 WeakPolarHBondContact CE2-ND2 3.4Å; Y219-N223 WeakPolarHBondContact O-CB 3.12Å; Y219-N223 PolarHBondContact O-N 2.96Å; Y219-N223 PolarHBondContact O-ND2 3.38Å
224L84.3Confident87.3Confident19 Ų1959.7 Ų59.710%0.09930%0.299CS..Iπ-helixtrans-121.4-54.4-175.4-162.3165.4000111.4F144 Y220 C228 V266 I280 F284F144-L224 HydrophobicContact CE1-CD1 4.17Å; Y220-L224 WeakPolarHBondContact O-CA 3.39Å; Y220-L224 WeakPolarHBondContact O-CB 3.46Å; Y220-L224 PolarHBondContact O-N 2.95Å; L224-C228 WeakPolarHBondContact O-CB 3.28Å; L224-C228 PolarHBondContact O-N 3.5Å; L224-V266 HydrophobicContact CD1-CG2 3.85Å; L224-V266 HydrophobicContact CG-CG2 4.02Å; L224-I280 HydrophobicContact CD2-CD1 3.67Å; L224-I280 HydrophobicContact CD2-CG1 3.38Å; L224-F284 HydrophobicContact CD2-CE2 3.86Å; L224-F284 HydrophobicContact CD2-CZ 4.29Å
225I83.4Confident87Confident53 Ų5357.4 Ų57.427%0.27229%0.291SS..Iπ-helixtrans-70.7-49.2-174.1-57.5179.9000111.4F146 Y220 G221 C228 V229F146-I225 HydrophobicContact CE2-CD1 4.23Å; F146-I225 HydrophobicContact CZ-CD1 4.06Å; Y220-I225 PolarHBondContact O-N 3.24Å; Y220-I225 VanDerWaalsContact O-N 3.08Å; G221-I225 WeakPolarHBondContact O-CB 3.29Å; G221-I225 PolarHBondContact O-N 3.3Å; I225-C228 WeakPolarHBondContact O-CB 3.1Å; I225-C228 PolarHBondContact O-N 3.23Å; I225-V229 HydrophobicContact CG2-CG2 4.27Å; I225-V229 WeakPolarHBondContact O-CG2 3.38Å; I225-V229 PolarHBondContact O-N 2.91Å
226I85.7Confident86.7Confident77 Ų7758.8 Ų58.840%0.39530%0.299SS..Hα-helixtrans-59.8-50.6-177.8-68.3176.4000112.3G221 F222 C228 V229 L230G221-I226 WeakPolarHBondContact O-CG1 3.45Å; G221-I226 PolarHBondContact O-N 3.41Å; F222-I226 HydrophobicContact CD1-CD1 3.57Å; F222-I226 HydrophobicContact CE1-CD1 3.93Å; F222-I226 HydrophobicContact CG-CD1 4.27Å; I226-C228 VanDerWaalsContact C-N 3.26Å; I226-C228 PolarHBondContact O-N 2.82Å; I226-V229 PolarHBondContact O-N 3.5Å; I226-L230 HydrophobicContact CG2-CD1 3.98Å; I226-L230 HydrophobicContact CG2-CG 4.39Å; I226-L230 WeakPolarHBondContact O-CG 3.44Å; I226-L230 PolarHBondContact O-N 3.5Å
227P87.8Confident86.5Confident30 Ų3059.3 Ų59.320%0.19531%0.308CS..Hα-helixtrans-58.1-38.3175.9-27.136.3000112.9F222 L230 I231 F262F222-P227 VanDerWaalsContact O-CD 3.32Å; F222-P227 WeakPolarHBondContact O-CD 3.29Å; P227-L230 PolarHBondContact O-N 2.77Å; P227-I231 WeakPolarHBondContact O-CB 3.46Å; P227-I231 VanDerWaalsContact O-CG1 3.24Å; P227-I231 WeakPolarHBondContact O-CG1 3.46Å; P227-I231 PolarHBondContact O-N 2.85Å; P227-F262 HydrophobicContact CB-CE1 4.03Å; P227-F262 HydrophobicContact CB-CZ 3.98Å
228C84.2Confident86.6Confident2 Ų256.9 Ų56.91%0.01429%0.294CS..Hα-helixtrans-65-45.2178.6-167.50000112.2L224 I225 I226 L230 I231 S232 Y283 F284L224-C228 WeakPolarHBondContact O-CB 3.28Å; L224-C228 PolarHBondContact O-N 3.5Å; I225-C228 WeakPolarHBondContact O-CB 3.1Å; I225-C228 PolarHBondContact O-N 3.23Å; I226-C228 VanDerWaalsContact C-N 3.26Å; I226-C228 PolarHBondContact O-N 2.82Å; C228-L230 PolarHBondContact O-N 2.84Å; C228-I231 PolarHBondContact O-N 3.17Å; C228-S232 WeakPolarHBondContact O-CB 3.31Å; C228-S232 PolarHBondContact O-N 3.32Å; C228-Y283 HydrophobicContact CB-CE1 4.42Å; C228-Y283 WeakPolarHBondContact SG-CE1 3.45Å; C228-F284 HydrophobicContact CB-CE1 4.05Å; C228-F284 HydrophobicContact CB-CZ 3.78Å; C228-F284 WeakPolarHBondContact SG-CE1 3.14Å; C228-F284 VanDerWaalsContact SG-CZ 3.5Å
229V84.4Confident86.6Confident66 Ų6651.2 Ų51.240%0.426%0.264SS..Hα-helixtrans-61-45.41751740000110.3I225 I226 I231 S232 T233I225-V229 HydrophobicContact CG2-CG2 4.27Å; I225-V229 WeakPolarHBondContact O-CG2 3.38Å; I225-V229 PolarHBondContact O-N 2.91Å; I226-V229 PolarHBondContact O-N 3.5Å; V229-I231 PolarHBondContact O-N 3.26Å; V229-S232 PolarHBondContact O-N 2.9Å; V229-S232 PolarHBondContact O-OG 3.13Å; V229-T233 WeakPolarHBondContact O-CG2 3.28Å; V229-T233 PolarHBondContact O-N 3.39Å
230L88.9Confident86.5Confident99 Ų9947.6 Ų47.652%0.51826%0.261SS..Hα-helixtrans-58.6-48.5177-70172.7000111.8I226 P227 C228 S232 T233 I234I226-L230 HydrophobicContact CG2-CD1 3.98Å; I226-L230 HydrophobicContact CG2-CG 4.39Å; I226-L230 WeakPolarHBondContact O-CG 3.44Å; I226-L230 PolarHBondContact O-N 3.5Å; P227-L230 PolarHBondContact O-N 2.77Å; C228-L230 PolarHBondContact O-N 2.84Å; L230-S232 VanDerWaalsContact C-N 3.32Å; L230-S232 PolarHBondContact O-N 2.85Å; L230-T233 PolarHBondContact O-N 3.27Å; L230-T233 VanDerWaalsContact O-N 3.09Å; L230-T233 PolarHBondContact O-OG1 2.93Å; L230-I234 WeakPolarHBondContact O-CG1 3.37Å; L230-I234 PolarHBondContact O-N 2.85Å
231I87.2Confident86.7Confident14 Ų1448.5 Ų48.57%0.07227%0.267CS..Hα-helixtrans-59.3-44.5177.2-68.9166.7000110.6P227 C228 V229 T233 I234 T235 V255 L259 F262P227-I231 WeakPolarHBondContact O-CB 3.46Å; P227-I231 VanDerWaalsContact O-CG1 3.24Å; P227-I231 WeakPolarHBondContact O-CG1 3.46Å; P227-I231 PolarHBondContact O-N 2.85Å; C228-I231 PolarHBondContact O-N 3.17Å; V229-I231 PolarHBondContact O-N 3.26Å; I231-T233 VanDerWaalsContact C-N 3.26Å; I231-T233 PolarHBondContact O-N 3.36Å; I231-I234 PolarHBondContact O-N 3.48Å; I231-I234 VanDerWaalsContact O-N 3.11Å; I231-T235 WeakPolarHBondContact O-CG2 3.24Å; I231-T235 PolarHBondContact O-N 2.94Å; I231-T235 VanDerWaalsContact O-N 3.15Å; I231-V255 HydrophobicContact CG2-CG1 3.89Å; I231-L259 HydrophobicContact CG2-CD1 4.22Å; I231-F262 HydrophobicContact CD1-CD2 3.37Å; I231-F262 HydrophobicContact CD1-CE2 3.47Å; I231-F262 VanDerWaalsContact CD1-CE2 3.47Å; I231-F262 HydrophobicContact CD1-CG 4.29Å; I231-F262 HydrophobicContact CD1-CZ 4.43Å
232S84.5Confident86.9Confident8 Ų850.9 Ų50.96%0.05628%0.279CS..Hα-helixtrans-62.7-29.2177.3800000113.5C228 V229 L230 T235C228-S232 WeakPolarHBondContact O-CB 3.31Å; C228-S232 PolarHBondContact O-N 3.32Å; V229-S232 PolarHBondContact O-N 2.9Å; V229-S232 PolarHBondContact O-OG 3.13Å; L230-S232 VanDerWaalsContact C-N 3.32Å; L230-S232 PolarHBondContact O-N 2.85Å; S232-T235 PolarHBondContact O-OG1 2.65Å
233T86Confident87Confident65 Ų6545.8 Ų45.840%0.39926%0.259SS..Hα-helixtrans-76-34.6174.161.10000112V229 L230 I231 T235 L236 L237V229-T233 WeakPolarHBondContact O-CG2 3.28Å; V229-T233 PolarHBondContact O-N 3.39Å; L230-T233 PolarHBondContact O-N 3.27Å; L230-T233 VanDerWaalsContact O-N 3.09Å; L230-T233 PolarHBondContact O-OG1 2.93Å; I231-T233 VanDerWaalsContact C-N 3.26Å; I231-T233 PolarHBondContact O-N 3.36Å; T233-T235 VanDerWaalsContact C-N 3.33Å; T233-T235 PolarHBondContact O-N 3.1Å; T233-L236 PolarHBondContact O-N 3.18Å; T233-L237 PolarHBondContact O-N 3.3Å
234I89.7Confident87Confident63 Ų6346.6 Ų46.632%0.32326%0.263SS..Hα-helixtrans-66.8-35.4178.2-63.4166.3000110.8L230 I231 L236 L237 D238 L251 V255L230-I234 WeakPolarHBondContact O-CG1 3.37Å; L230-I234 PolarHBondContact O-N 2.85Å; I231-I234 PolarHBondContact O-N 3.48Å; I231-I234 VanDerWaalsContact O-N 3.11Å; I234-L236 PolarHBondContact O-N 3.42Å; I234-L237 WeakPolarHBondContact O-CB 3.37Å; I234-L237 PolarHBondContact O-N 2.92Å; I234-L237 VanDerWaalsContact O-N 3.1Å; I234-D238 PolarHBondContact O-N 3.2Å; I234-L251 HydrophobicContact CG2-CD1 3.98Å; I234-V255 HydrophobicContact CB-CG2 4.39Å; I234-V255 HydrophobicContact CG2-CG2 3.57Å
235T86.7Confident87.2Confident6 Ų648.3 Ų48.34%0.03728%0.28CS..Hα-helixtrans-61.6-32.2175.564.70000112.5I231 S232 T233 D238 V255 V291I231-T235 WeakPolarHBondContact O-CG2 3.24Å; I231-T235 PolarHBondContact O-N 2.94Å; I231-T235 VanDerWaalsContact O-N 3.15Å; S232-T235 PolarHBondContact O-OG1 2.65Å; T233-T235 VanDerWaalsContact C-N 3.33Å; T233-T235 PolarHBondContact O-N 3.1Å; T235-D238 WeakPolarHBondContact O-CB 3.39Å; T235-V255 HydrophobicContact CG2-CG1 3.41Å; T235-V255 VanDerWaalsContact CG2-CG1 3.41Å; T235-V291 HydrophobicContact CG2-CG2 3.36Å
236L87.4Confident87.5Confident34 Ų3448.4 Ų48.418%0.17829%0.294CS..Hα-helixtrans-74.2-33175.3-65.2179.9000112.4T233 I234 D238 F239 F456 T457 L460T233-L236 PolarHBondContact O-N 3.18Å; I234-L236 PolarHBondContact O-N 3.42Å; L236-D238 PolarHBondContact O-N 3.11Å; L236-F239 PolarHBondContact O-N 3.38Å; L236-F456 HydrophobicContact CD2-CB 4.17Å; L236-T457 HydrophobicContact CD1-CG2 4.24Å; L236-T457 WeakPolarHBondContact CD2-OG1 3.5Å; L236-L460 HydrophobicContact CD1-CD1 4.32Å; L236-L460 HydrophobicContact CD2-CD1 3.75Å; L236-L460 HydrophobicContact CG-CD1 3.87Å
237L87.7Confident87.7Confident106 Ų10650.1 Ų50.156%0.55530%0.301SS*.Hα-helixtrans-66.9-25.8176.1-67.2176000112.4T233 I234 F239 S240 L241T233-L237 PolarHBondContact O-N 3.3Å; I234-L237 WeakPolarHBondContact O-CB 3.37Å; I234-L237 PolarHBondContact O-N 2.92Å; I234-L237 VanDerWaalsContact O-N 3.1Å; L237-F239 VanDerWaalsContact C-N 3.31Å; L237-F239 PolarHBondContact O-N 3.14Å; L237-S240 WeakPolarHBondContact O-CA 3.32Å; L237-S240 WeakPolarHBondContact O-CB 3.24Å; L237-S240 PolarHBondContact O-N 2.83Å; L237-L241 PolarHBondContact O-N 2.93Å
238D89.1Confident87.9Confident2 Ų248.8 Ų48.81%0.01129%0.292CS..Hα-helixtrans-58.2-41.5175.6-171.737.5000112.4I234 T235 L236 S240 L241 K248 L251 T298I234-D238 PolarHBondContact O-N 3.2Å; T235-D238 WeakPolarHBondContact O-CB 3.39Å; L236-D238 PolarHBondContact O-N 3.11Å; D238-S240 PolarHBondContact O-N 3.02Å; D238-L241 PolarHBondContact O-N 3.5Å; D238-K248 PolarHBondContact O-NZ 3.35Å; D238-K248 WeakPolarHBondContact OD1-CG 3.35Å; D238-L251 HydrophobicContact CB-CD2 4.24Å; D238-T298 WeakPolarHBondContact OD2-CG2 3.35Å
239F88.1Confident88.2Confident7 Ų751.4 Ų51.43%0.03131%0.305CS..THydrogen-bonded Turntrans-73.4-10.9175-61.3-72000114.2L236 L237 T298 D449 C452 L453 F456L236-F239 PolarHBondContact O-N 3.38Å; L237-F239 VanDerWaalsContact C-N 3.31Å; L237-F239 PolarHBondContact O-N 3.14Å; F239-T298 HydrophobicContact CE1-CG2 4.2Å; F239-D449 WeakPolarHBondContact CD1-OD1 3.35Å; F239-C452 HydrophobicContact CD1-CB 3.69Å; F239-C452 HydrophobicContact CE1-CB 3.51Å; F239-C452 HydrophobicContact CG-CB 4.44Å; F239-C452 HydrophobicContact CZ-CB 4.1Å; F239-L453 HydrophobicContact CB-CB 3.76Å; F239-L453 HydrophobicContact CB-CD1 4.08Å; F239-L453 HydrophobicContact CB-CG 4.17Å; F239-L453 HydrophobicContact CG-CB 4.42Å; F239-F456 HydrophobicContact CD2-CD2 4.2Å; F239-F456 HydrophobicContact CE1-CD2 4.11Å; F239-F456 HydrophobicContact CE1-CE2 4.06Å; F239-F456 HydrophobicContact CE2-CB 4.32Å; F239-F456 AromaticContact CE2-CD2 3.26Å; F239-F456 HydrophobicContact CE2-CD2 3.26Å; F239-F456 AromaticContact CE2-CE2 3.87Å; F239-F456 HydrophobicContact CE2-CE2 3.87Å; F239-F456 HydrophobicContact CE2-CG 4.13Å; F239-F456 AromaticContact CZ-CD2 3.2Å; F239-F456 HydrophobicContact CZ-CD2 3.2Å; F239-F456 AromaticContact CZ-CE2 3.28Å; F239-F456 HydrophobicContact CZ-CE2 3.28Å; F239-F456 HydrophobicContact CZ-CG 4.38Å
240S86.4Confident88.6Confident76 Ų7652.1 Ų52.153%0.53131%0.31SS..THydrogen-bonded Turntrans-90.7-18173.9-58.20000112.1L237 D238 L453L237-S240 WeakPolarHBondContact O-CA 3.32Å; L237-S240 WeakPolarHBondContact O-CB 3.24Å; L237-S240 PolarHBondContact O-N 2.83Å; D238-S240 PolarHBondContact O-N 3.02Å; S240-L453 WeakPolarHBondContact OG-CD1 3.49Å
241L90.2Very high88.7Confident54 Ų5449.8 Ų49.828%0.28330%0.298SS..SBendtrans-75.8125.3-179.2-164.375.1000110.7L237 D238 E247 K248L237-L241 PolarHBondContact O-N 2.93Å; D238-L241 PolarHBondContact O-N 3.5Å; L241-E247 HydrophobicContact CD2-CB 4.32Å; L241-K248 HydrophobicContact CD2-CB 4.11Å; L241-K248 PolarHBondContact O-NZ 3.46Å
242P89.2Confident88.9Confident70 Ų7049.3 Ų49.346%0.45530%0.296SS..  trans-67.3139.1179.627.2-33.7000111.1D244 A245P242-D244 PolarHBondContact O-N 3.28Å; P242-A245 WeakPolarHBondContact O-CB 3.43Å; P242-A245 PolarHBondContact O-N 3.06Å
243P88.9Confident89.3Confident20 Ų2052.9 Ų52.913%0.1331%0.313CS..G310 helixtrans-64.1-21.6-179.325.3-34.9000113.9A245 G246 L302 H305P243-A245 PolarHBondContact O-N 3.11Å; P243-G246 PolarHBondContact O-N 3.39Å; P243-L302 HydrophobicContact CB-CD2 3.74Å; P243-H305 HydrophobicContact CB-CB 4.38Å; P243-H305 HydrophobicContact CG-CB 4.36Å; P243-H305 VanDerWaalsContact CG-CD2 3.4Å; P243-H305 WeakPolarHBondContact CG-CD2 3.43Å
244D87.6Confident89.6Confident107 Ų10752.8 Ų52.857%0.57232%0.315SS*.G310 helixtrans-64.8-19.1176.8-66.2-54.5000112.9P242 G246 H305 K442P242-D244 PolarHBondContact O-N 3.28Å; D244-G246 VanDerWaalsContact C-N 3.32Å; D244-G246 PolarHBondContact O-N 3.44Å; D244-H305 IonicContact OD1-CE1 3.35Å; D244-H305 PolarHBondContact OD1-CE1 2.93Å; D244-H305 IonicContact OD1-NE2 2.8Å; D244-H305 PolarHBondContact OD1-NE2 3.29Å; D244-K442 IonicContact OD1-NZ 3.47Å; D244-K442 PolarHBondContact OD1-NZ 2.82Å; D244-K442 IonicContact OD2-NZ 3.21Å
245A88.6Confident89.7Confident55 Ų5550.2 Ų50.246%0.45530%0.303SS..G310 helixtrans-74.5-18.4-179.900000113.9P242 P243 E247P242-A245 WeakPolarHBondContact O-CB 3.43Å; P242-A245 PolarHBondContact O-N 3.06Å; P243-A245 PolarHBondContact O-N 3.11Å; A245-E247 PolarHBondContact O-N 2.67Å; A245-E247 VanDerWaalsContact O-N 3.09Å
246G89Confident89.8Confident55 Ų5553 Ų5357%0.56731%0.314SS*.SBendtrans75.3-17.8-178.100000116P243 D244P243-G246 PolarHBondContact O-N 3.39Å; D244-G246 VanDerWaalsContact C-N 3.32Å; D244-G246 PolarHBondContact O-N 3.44Å
247E90.8Very high90.1Very high114 Ų11456.4 Ų56.453%0.53333%0.331SS..  trans-90.8-1.3-174.2-66.1-57.4148.600115.6L241 A245 L249 T250 L251L241-E247 HydrophobicContact CD2-CB 4.32Å; A245-E247 PolarHBondContact O-N 2.67Å; A245-E247 VanDerWaalsContact O-N 3.09Å; E247-L249 PolarHBondContact O-N 3.09Å; E247-T250 WeakPolarHBondContact O-CB 3.45Å; E247-T250 PolarHBondContact O-N 3.15Å; E247-T250 WeakPolarHBondContact OE2-CB 3.3Å; E247-T250 PolarHBondContact OE2-OG1 3.3Å; E247-L251 PolarHBondContact O-N 3.1Å
248K91Very high90.2Very high1 Ų153.2 Ų53.20%0.00432%0.317CS..Hα-helixtrans-59-48.4-175.9-166.4-177.8-179.589.20112.4D238 L241 T250 L251 G252 T298 D449D238-K248 PolarHBondContact O-NZ 3.35Å; D238-K248 WeakPolarHBondContact OD1-CG 3.35Å; L241-K248 HydrophobicContact CD2-CB 4.11Å; L241-K248 PolarHBondContact O-NZ 3.46Å; K248-T250 PolarHBondContact O-N 3.47Å; K248-L251 PolarHBondContact O-N 2.93Å; K248-G252 PolarHBondContact O-N 3.29Å; K248-G252 VanDerWaalsContact O-N 3.11Å; K248-T298 HydrophobicContact CD-CG2 4.4Å; K248-T298 HydrophobicContact CG-CG2 4.41Å; K248-D449 WeakPolarHBondContact CE-OD1 3.45Å; K248-D449 IonicContact NZ-OD1 3.69Å; K248-D449 PolarHBondContact NZ-OD1 3.24Å; K248-D449 IonicContact NZ-OD2 3.07Å; K248-D449 PolarHBondContact NZ-OD2 3.41Å
249L91.6Very high90.2Very high58 Ų5853.1 Ų53.130%0.30432%0.317SS..Hα-helixtrans-66.7-38.5179.6-175.462.4000112.3E247 L251 G252 I253 V295 V299 L302E247-L249 PolarHBondContact O-N 3.09Å; L249-L251 VanDerWaalsContact C-N 3.35Å; L249-L251 PolarHBondContact O-N 3.37Å; L249-G252 PolarHBondContact O-N 2.83Å; L249-I253 HydrophobicContact CD1-CD1 4.08Å; L249-I253 HydrophobicContact CD1-CG1 4.28Å; L249-I253 HydrophobicContact CD2-CD1 4.47Å; L249-I253 HydrophobicContact CG-CD1 3.88Å; L249-I253 HydrophobicContact CG-CG1 4.46Å; L249-I253 WeakPolarHBondContact O-CG1 3.42Å; L249-I253 PolarHBondContact O-N 3.13Å; L249-V295 HydrophobicContact CD1-CG1 4.2Å; L249-V299 HydrophobicContact CD1-CG2 3.86Å; L249-L302 HydrophobicContact CB-CD1 4.13Å
250T92.1Very high90.2Very high80 Ų8054.4 Ų54.449%0.49133%0.326SS..Hα-helixtrans-59.3-46.5176.7-49.70000110.8E247 K248 I253 S254E247-T250 WeakPolarHBondContact O-CB 3.45Å; E247-T250 PolarHBondContact O-N 3.15Å; E247-T250 WeakPolarHBondContact OE2-CB 3.3Å; E247-T250 PolarHBondContact OE2-OG1 3.3Å; K248-T250 PolarHBondContact O-N 3.47Å; T250-I253 PolarHBondContact O-N 3.17Å; T250-S254 WeakPolarHBondContact O-CB 3.37Å; T250-S254 PolarHBondContact O-N 3.16Å; T250-S254 PolarHBondContact O-OG 2.87Å
251L91.6Very high90.4Very high51 Ų5154.9 Ų54.927%0.26733%0.326SS..Hα-helixtrans-59.8-51176.7-177.362.5000110.9I234 D238 E247 K248 L249 I253 S254 V255I234-L251 HydrophobicContact CG2-CD1 3.98Å; D238-L251 HydrophobicContact CB-CD2 4.24Å; E247-L251 PolarHBondContact O-N 3.1Å; K248-L251 PolarHBondContact O-N 2.93Å; L249-L251 VanDerWaalsContact C-N 3.35Å; L249-L251 PolarHBondContact O-N 3.37Å; L251-I253 PolarHBondContact O-N 3.48Å; L251-S254 PolarHBondContact O-N 2.81Å; L251-S254 PolarHBondContact O-OG 3.22Å; L251-V255 HydrophobicContact CD1-CG2 4.34Å; L251-V255 WeakPolarHBondContact O-CG2 3.33Å; L251-V255 PolarHBondContact O-N 2.97Å; L251-V255 VanDerWaalsContact O-N 3.07Å
252G91Very high90.2Very high3 Ų355.8 Ų55.83%0.03133%0.328CS..Hα-helixtrans-57.1-44.8178.800000114.2K248 L249 F256K248-G252 PolarHBondContact O-N 3.29Å; K248-G252 VanDerWaalsContact O-N 3.11Å; L249-G252 PolarHBondContact O-N 2.83Å; G252-F256 PolarHBondContact O-N 3.43Å; G252-F256 VanDerWaalsContact O-N 3.1Å
253I92.2Very high90Very high83 Ų8355 Ų5543%0.42632%0.319SS..Hα-helixtrans-67.9-42178.3-66.1170.6000111.3L249 T250 L251 V255 F256 M257 V295L249-I253 HydrophobicContact CD1-CD1 4.08Å; L249-I253 HydrophobicContact CD1-CG1 4.28Å; L249-I253 HydrophobicContact CD2-CD1 4.47Å; L249-I253 HydrophobicContact CG-CD1 3.88Å; L249-I253 HydrophobicContact CG-CG1 4.46Å; L249-I253 WeakPolarHBondContact O-CG1 3.42Å; L249-I253 PolarHBondContact O-N 3.13Å; T250-I253 PolarHBondContact O-N 3.17Å; L251-I253 PolarHBondContact O-N 3.48Å; I253-V255 VanDerWaalsContact C-N 3.29Å; I253-V255 PolarHBondContact O-N 2.77Å; I253-F256 WeakPolarHBondContact O-CB 3.45Å; I253-F256 PolarHBondContact O-N 3.41Å; I253-M257 HydrophobicContact CG2-CG 4.43Å; I253-M257 WeakPolarHBondContact O-CG 3.2Å; I253-M257 PolarHBondContact O-N 3.44Å; I253-V295 HydrophobicContact CG1-CG1 4.47Å
254S92.6Very high89.9Confident63 Ų6358.5 Ų58.544%0.44134%0.336SS..Hα-helixtrans-61.3-40.4179.8710000112T250 L251 M257 S258T250-S254 WeakPolarHBondContact O-CB 3.37Å; T250-S254 PolarHBondContact O-N 3.16Å; T250-S254 PolarHBondContact O-OG 2.87Å; L251-S254 PolarHBondContact O-N 2.81Å; L251-S254 PolarHBondContact O-OG 3.22Å; S254-M257 PolarHBondContact O-N 2.84Å; S254-S258 PolarHBondContact O-N 2.67Å
255V91Very high89.8Confident9 Ų957.5 Ų57.56%0.05533%0.333CS..Hα-helixtrans-67-44.2176.8174.20000111I231 I234 T235 L251 I253 M257 S258 L259I231-V255 HydrophobicContact CG2-CG1 3.89Å; I234-V255 HydrophobicContact CB-CG2 4.39Å; I234-V255 HydrophobicContact CG2-CG2 3.57Å; T235-V255 HydrophobicContact CG2-CG1 3.41Å; T235-V255 VanDerWaalsContact CG2-CG1 3.41Å; L251-V255 HydrophobicContact CD1-CG2 4.34Å; L251-V255 WeakPolarHBondContact O-CG2 3.33Å; L251-V255 PolarHBondContact O-N 2.97Å; L251-V255 VanDerWaalsContact O-N 3.07Å; I253-V255 VanDerWaalsContact C-N 3.29Å; I253-V255 PolarHBondContact O-N 2.77Å; V255-M257 VanDerWaalsContact C-N 3.35Å; V255-M257 PolarHBondContact O-N 3.32Å; V255-S258 PolarHBondContact O-N 2.86Å; V255-S258 PolarHBondContact O-OG 3.45Å; V255-L259 WeakPolarHBondContact O-CB 3.31Å; V255-L259 PolarHBondContact O-N 2.89Å
256F90.4Very high89.6Confident64 Ų6455.2 Ų55.228%0.28131%0.314SS..Hα-helixtrans-56.4-47.9175.1-179.1-100.9000112.1G252 I253 S258 L259 C260 M288 V291G252-F256 PolarHBondContact O-N 3.43Å; G252-F256 VanDerWaalsContact O-N 3.1Å; I253-F256 WeakPolarHBondContact O-CB 3.45Å; I253-F256 PolarHBondContact O-N 3.41Å; F256-S258 PolarHBondContact O-N 3.01Å; F256-L259 PolarHBondContact O-N 3.07Å; F256-C260 PolarHBondContact O-N 3.47Å; F256-C260 PolarHBondContact O-SG 2.81Å; F256-C260 VanDerWaalsContact O-SG 3.36Å; F256-M288 HydrophobicContact CD2-CE 4.06Å; F256-M288 HydrophobicContact CE2-CE 3.38Å; F256-M288 HydrophobicContact CE2-SD 4.44Å; F256-M288 HydrophobicContact CZ-CE 3.77Å; F256-V291 HydrophobicContact CB-CG1 3.75Å; F256-V291 HydrophobicContact CD2-CB 4.45Å; F256-V291 HydrophobicContact CD2-CG1 3.9Å; F256-V291 HydrophobicContact CG-CG1 4.34Å
257M92.6Very high89.3Confident107 Ų10755.1 Ų55.153%0.52731%0.305SS..Hα-helixtrans-63.5-42.4178.2-70.8-59.7-63.700112.2I253 S254 V255 L259 C260 V261I253-M257 HydrophobicContact CG2-CG 4.43Å; I253-M257 WeakPolarHBondContact O-CG 3.2Å; I253-M257 PolarHBondContact O-N 3.44Å; S254-M257 PolarHBondContact O-N 2.84Å; V255-M257 VanDerWaalsContact C-N 3.35Å; V255-M257 PolarHBondContact O-N 3.32Å; M257-L259 VanDerWaalsContact C-N 3.29Å; M257-L259 PolarHBondContact O-N 3.26Å; M257-C260 WeakPolarHBondContact O-CB 3.45Å; M257-C260 PolarHBondContact O-N 3.15Å; M257-V261 WeakPolarHBondContact O-CG2 3.48Å; M257-V261 PolarHBondContact O-N 2.74Å; M257-V261 VanDerWaalsContact O-N 3.13Å
258S90.9Very high89Confident39 Ų3956 Ų5627%0.27331%0.309SS..Hα-helixtrans-59.7-41.6176.674.20000111.7S254 V255 F256 V261 F262S254-S258 PolarHBondContact O-N 2.67Å; V255-S258 PolarHBondContact O-N 2.86Å; V255-S258 PolarHBondContact O-OG 3.45Å; F256-S258 PolarHBondContact O-N 3.01Å; S258-V261 PolarHBondContact O-N 3.32Å; S258-F262 VanDerWaalsContact O-CD2 3.24Å; S258-F262 WeakPolarHBondContact O-CD2 3.38Å; S258-F262 PolarHBondContact O-N 2.93Å
259L88.6Confident88.4Confident0 Ų058.7 Ų58.70%033%0.327CS..Hα-helixtrans-66.6-39.7179.8-169.265.4000112.1I231 V255 F256 M257 V261 F262 L263 F284 I287 M288 V291I231-L259 HydrophobicContact CG2-CD1 4.22Å; V255-L259 WeakPolarHBondContact O-CB 3.31Å; V255-L259 PolarHBondContact O-N 2.89Å; F256-L259 PolarHBondContact O-N 3.07Å; M257-L259 VanDerWaalsContact C-N 3.29Å; M257-L259 PolarHBondContact O-N 3.26Å; L259-V261 VanDerWaalsContact C-N 3.35Å; L259-V261 PolarHBondContact O-N 3.26Å; L259-F262 PolarHBondContact O-N 3.48Å; L259-L263 WeakPolarHBondContact O-CB 3.01Å; L259-L263 PolarHBondContact O-N 3.3Å; L259-F284 HydrophobicContact CD1-CD1 3.62Å; L259-F284 HydrophobicContact CD1-CE1 3.88Å; L259-I287 HydrophobicContact CD1-CG2 4.13Å; L259-I287 HydrophobicContact CD2-CB 3.98Å; L259-I287 HydrophobicContact CD2-CG2 3.43Å; L259-I287 VanDerWaalsContact CD2-CG2 3.43Å; L259-I287 HydrophobicContact CG-CG2 4.46Å; L259-M288 HydrophobicContact CB-SD 3.82Å; L259-M288 HydrophobicContact CD2-CB 4.35Å; L259-M288 HydrophobicContact CD2-CG 3.72Å; L259-M288 HydrophobicContact CD2-SD 3.32Å; L259-M288 WeakPolarHBondContact CD2-SD 3.32Å; L259-M288 HydrophobicContact CG-CG 3.98Å; L259-M288 HydrophobicContact CG-SD 3.4Å; L259-M288 WeakPolarHBondContact CG-SD 3.36Å; L259-V291 HydrophobicContact CD2-CB 4.42Å; L259-V291 HydrophobicContact CD2-CG2 4.02Å
260C88.6Confident87.9Confident34 Ų3456.9 Ų56.923%0.2332%0.317CS..Hα-helixtrans-58.5-45172.2-69.90000112.1F256 M257 L263 I264 M288F256-C260 PolarHBondContact O-N 3.47Å; F256-C260 PolarHBondContact O-SG 2.81Å; F256-C260 VanDerWaalsContact O-SG 3.36Å; M257-C260 WeakPolarHBondContact O-CB 3.45Å; M257-C260 PolarHBondContact O-N 3.15Å; C260-L263 PolarHBondContact O-N 3.46Å; C260-I264 WeakPolarHBondContact O-CG1 3.3Å; C260-I264 PolarHBondContact O-N 3.4Å; C260-I264 VanDerWaalsContact O-N 3.11Å; C260-M288 WeakPolarHBondContact SG-CE 3.49Å
261V89.5Confident87.4Confident85 Ų8553.5 Ų53.552%0.51530%0.297SS..Hα-helixtrans-65.5-45.1179.7173.80000110.9M257 S258 L259 L263 I264 V265M257-V261 WeakPolarHBondContact O-CG2 3.48Å; M257-V261 PolarHBondContact O-N 2.74Å; M257-V261 VanDerWaalsContact O-N 3.13Å; S258-V261 PolarHBondContact O-N 3.32Å; L259-V261 VanDerWaalsContact C-N 3.35Å; L259-V261 PolarHBondContact O-N 3.26Å; V261-L263 VanDerWaalsContact C-N 3.29Å; V261-L263 PolarHBondContact O-N 3.35Å; V261-I264 PolarHBondContact O-N 3.39Å; V261-V265 PolarHBondContact O-N 2.99Å; V261-V265 VanDerWaalsContact O-N 3.13Å
262F86.2Confident86.8Confident74 Ų7458.1 Ų58.133%0.32532%0.317SS..Hα-helixtrans-61-38.2175.9-86.2-71000112.5P227 I231 S258 L259 I264 V265 V266 F284P227-F262 HydrophobicContact CB-CE1 4.03Å; P227-F262 HydrophobicContact CB-CZ 3.98Å; I231-F262 HydrophobicContact CD1-CD2 3.37Å; I231-F262 HydrophobicContact CD1-CE2 3.47Å; I231-F262 VanDerWaalsContact CD1-CE2 3.47Å; I231-F262 HydrophobicContact CD1-CG 4.29Å; I231-F262 HydrophobicContact CD1-CZ 4.43Å; S258-F262 VanDerWaalsContact O-CD2 3.24Å; S258-F262 WeakPolarHBondContact O-CD2 3.38Å; S258-F262 PolarHBondContact O-N 2.93Å; L259-F262 PolarHBondContact O-N 3.48Å; F262-I264 VanDerWaalsContact C-N 3.34Å; F262-I264 PolarHBondContact O-N 3Å; F262-V265 PolarHBondContact O-N 3.37Å; F262-V266 WeakPolarHBondContact O-CG2 3.35Å; F262-V266 PolarHBondContact O-N 2.92Å; F262-F284 HydrophobicContact CB-CE1 4.31Å
263L84.5Confident86.2Confident54 Ų5460 Ų6028%0.28333%0.328SS..Hα-helixtrans-63.7-39.2176.2-178.562.7000112.1L259 C260 V261 V266 S267 F284L259-L263 WeakPolarHBondContact O-CB 3.01Å; L259-L263 PolarHBondContact O-N 3.3Å; C260-L263 PolarHBondContact O-N 3.46Å; V261-L263 VanDerWaalsContact C-N 3.29Å; V261-L263 PolarHBondContact O-N 3.35Å; L263-V266 PolarHBondContact O-N 3.48Å; L263-S267 WeakPolarHBondContact O-CB 3.34Å; L263-S267 PolarHBondContact O-N 3.1Å; L263-S267 PolarHBondContact O-OG 3.2Å; L263-F284 HydrophobicContact CD1-CB 3.94Å; L263-F284 HydrophobicContact CD1-CG 4.48Å
264I87.5Confident85.5Confident93 Ų9362 Ų6248%0.47735%0.349SS..Hα-helixtrans-61.1-50.1175.9-68166.2000110C260 V261 F262 V266 S267 E268C260-I264 WeakPolarHBondContact O-CG1 3.3Å; C260-I264 PolarHBondContact O-N 3.4Å; C260-I264 VanDerWaalsContact O-N 3.11Å; V261-I264 PolarHBondContact O-N 3.39Å; F262-I264 VanDerWaalsContact C-N 3.34Å; F262-I264 PolarHBondContact O-N 3Å; I264-V266 VanDerWaalsContact C-N 3.27Å; I264-V266 PolarHBondContact O-N 3.27Å; I264-S267 WeakPolarHBondContact CA-OG 3.45Å; I264-S267 PolarHBondContact O-N 3.41Å; I264-S267 PolarHBondContact O-OG 3.41Å; I264-E268 HydrophobicContact CG2-CG 4.45Å; I264-E268 WeakPolarHBondContact O-CG 3.49Å; I264-E268 PolarHBondContact O-N 3.43Å
265V86Confident84.7Confident86 Ų8664.3 Ų64.352%0.52136%0.357SS..Hα-helixtrans-56.5-43.3178.81740000111.4V261 F262 E268 S269V261-V265 PolarHBondContact O-N 2.99Å; V261-V265 VanDerWaalsContact O-N 3.13Å; F262-V265 PolarHBondContact O-N 3.37Å; V265-E268 PolarHBondContact O-N 2.97Å; V265-S269 PolarHBondContact O-N 2.97Å
266V83.2Confident83.9Confident6 Ų665 Ų654%0.03636%0.363CS..Hα-helixtrans-65.6-42.8176.9171.90000110.8L224 F262 L263 I264 E268 S269 M270 I280 F284L224-V266 HydrophobicContact CD1-CG2 3.85Å; L224-V266 HydrophobicContact CG-CG2 4.02Å; F262-V266 WeakPolarHBondContact O-CG2 3.35Å; F262-V266 PolarHBondContact O-N 2.92Å; L263-V266 PolarHBondContact O-N 3.48Å; I264-V266 VanDerWaalsContact C-N 3.27Å; I264-V266 PolarHBondContact O-N 3.27Å; V266-E268 VanDerWaalsContact C-N 3.3Å; V266-E268 PolarHBondContact O-N 2.96Å; V266-S269 PolarHBondContact O-N 3.31Å; V266-S269 PolarHBondContact O-OG 2.69Å; V266-M270 HydrophobicContact CG1-CE 3.49Å; V266-M270 VanDerWaalsContact CG1-CE 3.49Å; V266-M270 HydrophobicContact CG1-SD 4.11Å; V266-M270 WeakPolarHBondContact O-CE 3.32Å; V266-I280 HydrophobicContact CG1-CG2 4.46Å; V266-F284 HydrophobicContact CG2-CE2 4Å; V266-F284 HydrophobicContact CG2-CZ 4.43Å
267S82.6Confident83.3Confident54 Ų5466.7 Ų66.738%0.37838%0.378SS..Hα-helixtrans-65.6-28.417975.90000114.2L263 I264 S269L263-S267 WeakPolarHBondContact O-CB 3.34Å; L263-S267 PolarHBondContact O-N 3.1Å; L263-S267 PolarHBondContact O-OG 3.2Å; I264-S267 WeakPolarHBondContact CA-OG 3.45Å; I264-S267 PolarHBondContact O-N 3.41Å; I264-S267 PolarHBondContact O-OG 3.41Å; S267-S269 VanDerWaalsContact C-N 3.32Å
268E85.2Confident82.9Confident133 Ų13362 Ų6262%0.62136%0.356SS*.Hα-helixtrans-73.2-26.7176.7-73.9-177.8168.300112.7I264 V265 V266I264-E268 HydrophobicContact CG2-CG 4.45Å; I264-E268 WeakPolarHBondContact O-CG 3.49Å; I264-E268 PolarHBondContact O-N 3.43Å; V265-E268 PolarHBondContact O-N 2.97Å; V266-E268 VanDerWaalsContact C-N 3.3Å; V266-E268 PolarHBondContact O-N 2.96Å
269S79.2Confident82.5Confident56 Ų5661.8 Ų61.839%0.39235%0.352SS..THydrogen-bonded Turntrans-82.8-9.3179.567.50000114.7V265 V266 S267V265-S269 PolarHBondContact O-N 2.97Å; V266-S269 PolarHBondContact O-N 3.31Å; V266-S269 PolarHBondContact O-OG 2.69Å; S267-S269 VanDerWaalsContact C-N 3.32Å
270M79.3Confident82.1Confident20 Ų2062.4 Ų62.410%0.09936%0.355CS..SBendtrans-114.4150.3-173.2-62.5-176.7-5600111F144 V266 P278F144-M270 HydrophobicContact CD1-SD 4.46Å; V266-M270 HydrophobicContact CG1-CE 3.49Å; V266-M270 VanDerWaalsContact CG1-CE 3.49Å; V266-M270 HydrophobicContact CG1-SD 4.11Å; V266-M270 WeakPolarHBondContact O-CE 3.32Å; M270-P278 HydrophobicContact CE-CG 3.72Å; M270-P278 HydrophobicContact SD-CB 4.09Å; M270-P278 HydrophobicContact SD-CG 3.52Å; M270-P278 VanDerWaalsContact SD-CG 3.52Å
271P81.6Confident81.8Confident9 Ų961.1 Ų61.16%0.05835%0.347CS..  trans-58.5146.7173.217.4-25.8000112.3E54 I141 T273E54-P271 WeakPolarHBondContact O-CB 3.33Å; E54-P271 WeakPolarHBondContact O-CG 3.42Å; I141-P271 HydrophobicContact CD1-CG 4.28Å; I141-P271 HydrophobicContact CG2-CG 3.95Å; P271-T273 HydrophobicContact CB-CG2 3.96Å; P271-T273 PolarHBondContact O-N 3.22Å
272H79.5Confident81.5Confident149 Ų14959.9 Ų59.969%0.6934%0.34SS*.  trans-76.339.9174.7-58.7-56.9000112.4
273T78.1Confident81.4Confident43 Ų4357 Ų5726%0.26433%0.327SS..  trans-95.8139.2-176.252.30000111.3P271P271-T273 HydrophobicContact CB-CG2 3.96Å; P271-T273 PolarHBondContact O-N 3.22Å
274S79Confident81.4Confident123 Ų12354.5 Ų54.586%0.8631%0.314SS*.SBendtrans-93.32.2177.8-55.40000113.4A276S274-A276 VanDerWaalsContact C-N 3.33Å; S274-A276 PolarHBondContact O-N 2.6Å
275D74.3Confident81.2Confident113 Ų11352.7 Ų52.760%0.60431%0.309SS*.SBendtrans-65-37.3-174.8-815.9000112.1K138K138-D275 WeakPolarHBondContact CE-OD2 3.27Å; K138-D275 IonicContact NZ-OD2 3.35Å; K138-D275 PolarHBondContact NZ-OD2 2.91Å
276A74.5Confident81.3Confident24 Ų2450.6 Ų50.620%0.19830%0.298CS..  trans-152.6136.6177.300000111T142 S274T142-A276 HydrophobicContact CG2-CB 3.41Å; T142-A276 VanDerWaalsContact CG2-CB 3.41Å; S274-A276 VanDerWaalsContact C-N 3.33Å; S274-A276 PolarHBondContact O-N 2.6Å
277V79.2Confident81.5Confident98 Ų9850.4 Ų50.459%0.59430%0.297SS*.  trans-86.4127.2168.9-175.30000107.7T282V277-T282 HydrophobicContact CB-CG2 4.12Å; V277-T282 HydrophobicContact CG1-CG2 3.67Å
278P83.7Confident81.8Confident10 Ų1049.4 Ų49.47%0.06529%0.287CS..  trans-65.3146.8-177.527.6-35.4000110.7I141 F144 M270 I280 G281 T282I141-P278 HydrophobicContact CD1-CB 4.45Å; I141-P278 HydrophobicContact CD1-CG 4.3Å; I141-P278 WeakPolarHBondContact O-CA 3.24Å; I141-P278 WeakPolarHBondContact O-CB 3.4Å; F144-P278 HydrophobicContact CB-CB 4.42Å; M270-P278 HydrophobicContact CE-CG 3.72Å; M270-P278 HydrophobicContact SD-CB 4.09Å; M270-P278 HydrophobicContact SD-CG 3.52Å; M270-P278 VanDerWaalsContact SD-CG 3.52Å; P278-I280 HydrophobicContact CB-CG2 4.19Å; P278-I280 HydrophobicContact CG-CG2 4.43Å; P278-I280 PolarHBondContact O-N 3.13Å; P278-I280 VanDerWaalsContact O-N 3.15Å; P278-G281 WeakPolarHBondContact O-CA 3.46Å; P278-G281 PolarHBondContact O-N 2.77Å; P278-T282 PolarHBondContact O-N 2.99Å
279L81.9Confident82Confident34 Ų3448.6 Ų48.618%0.17829%0.285CS..Hα-helixtrans-51.8-41.5178.5-174.866.1000111.3T142 W143 G281 T282 Y283 I467 A470T142-L279 PolarHBondContact O-N 3.45Å; W143-L279 HydrophobicContact CE3-CD2 4.18Å; W143-L279 HydrophobicContact CZ3-CD2 4.13Å; L279-G281 PolarHBondContact O-N 3.39Å; L279-T282 PolarHBondContact O-N 3.45Å; L279-T282 PolarHBondContact O-OG1 3.41Å; L279-Y283 PolarHBondContact O-N 2.89Å; L279-I467 HydrophobicContact CD1-CG1 4.17Å; L279-I467 HydrophobicContact CD2-CB 4.48Å; L279-I467 HydrophobicContact CD2-CG2 3.85Å; L279-I467 HydrophobicContact CG-CG1 4.27Å; L279-I467 HydrophobicContact CG-CG2 4.09Å; L279-A470 HydrophobicContact CD1-CB 4.48Å; L279-A470 HydrophobicContact CD2-CB 4.15Å
280I80.8Confident82.4Confident13 Ų1346.3 Ų46.37%0.06727%0.269CS..Hα-helixtrans-65.6-36.9176.9-161.555.7000113.1F144 L224 V266 P278 Y283 F284F144-I280 HydrophobicContact CD1-CG2 3.94Å; L224-I280 HydrophobicContact CD2-CD1 3.67Å; L224-I280 HydrophobicContact CD2-CG1 3.38Å; V266-I280 HydrophobicContact CG1-CG2 4.46Å; P278-I280 HydrophobicContact CB-CG2 4.19Å; P278-I280 HydrophobicContact CG-CG2 4.43Å; P278-I280 PolarHBondContact O-N 3.13Å; P278-I280 VanDerWaalsContact O-N 3.15Å; I280-Y283 HydrophobicContact CD1-CD1 4.09Å; I280-Y283 WeakPolarHBondContact O-CB 3.47Å; I280-Y283 PolarHBondContact O-N 3.42Å; I280-F284 HydrophobicContact CD1-CD2 4.41Å; I280-F284 HydrophobicContact CD1-CE2 4.1Å; I280-F284 HydrophobicContact CG1-CD2 4.05Å; I280-F284 HydrophobicContact CG1-CE2 3.83Å; I280-F284 WeakPolarHBondContact O-CD2 3.36Å; I280-F284 PolarHBondContact O-N 3.05Å
281G81.9Confident83Confident7 Ų745.4 Ų45.47%0.07227%0.265CS..Hα-helixtrans-67.6-38.6175.800000111.9P278 L279 Y283 F284 S285P278-G281 WeakPolarHBondContact O-CA 3.46Å; P278-G281 PolarHBondContact O-N 2.77Å; L279-G281 PolarHBondContact O-N 3.39Å; G281-Y283 VanDerWaalsContact C-N 3.34Å; G281-F284 PolarHBondContact O-N 3.38Å; G281-S285 WeakPolarHBondContact O-CB 3.39Å; G281-S285 PolarHBondContact O-N 2.79Å; G281-S285 PolarHBondContact O-OG 3.15Å
282T83Confident83.4Confident58 Ų5847.3 Ų47.336%0.35628%0.279SS..Hα-helixtrans-64.3-39.3172.666.10000111.8V277 P278 L279 S285 C286V277-T282 HydrophobicContact CB-CG2 4.12Å; V277-T282 HydrophobicContact CG1-CG2 3.67Å; P278-T282 PolarHBondContact O-N 2.99Å; L279-T282 PolarHBondContact O-N 3.45Å; L279-T282 PolarHBondContact O-OG1 3.41Å; T282-S285 WeakPolarHBondContact O-CB 3.47Å; T282-S285 PolarHBondContact O-N 2.87Å; T282-C286 PolarHBondContact O-N 3.38Å; T282-C286 PolarHBondContact O-SG 3.04Å; T282-C286 VanDerWaalsContact O-SG 3.34Å
283Y84.9Confident84Confident13 Ų1342 Ų425%0.05126%0.26CS..Hα-helixtrans-60-52.7174.2-177.3-133.1000112.3C228 L279 I280 G281 S285 C286 I287 T464 I467C228-Y283 HydrophobicContact CB-CE1 4.42Å; C228-Y283 WeakPolarHBondContact SG-CE1 3.45Å; L279-Y283 PolarHBondContact O-N 2.89Å; I280-Y283 HydrophobicContact CD1-CD1 4.09Å; I280-Y283 WeakPolarHBondContact O-CB 3.47Å; I280-Y283 PolarHBondContact O-N 3.42Å; G281-Y283 VanDerWaalsContact C-N 3.34Å; Y283-S285 PolarHBondContact O-N 3.47Å; Y283-C286 WeakPolarHBondContact O-CB 3.35Å; Y283-C286 PolarHBondContact O-N 2.79Å; Y283-C286 VanDerWaalsContact O-N 3.1Å; Y283-I287 HydrophobicContact CD1-CD1 3.97Å; Y283-I287 HydrophobicContact CD2-CD1 4.19Å; Y283-I287 HydrophobicContact CD2-CG1 4.2Å; Y283-I287 HydrophobicContact CE1-CD1 3.61Å; Y283-I287 HydrophobicContact CE2-CD1 3.84Å; Y283-I287 HydrophobicContact CE2-CG1 3.97Å; Y283-I287 HydrophobicContact CG-CD1 4.27Å; Y283-I287 WeakPolarHBondContact O-CG1 3.46Å; Y283-I287 PolarHBondContact O-N 2.89Å; Y283-T464 HydrophobicContact CE2-CG2 3.91Å; Y283-T464 WeakPolarHBondContact OH-CG2 3.39Å; Y283-I467 HydrophobicContact CD1-CD1 4.21Å; Y283-I467 HydrophobicContact CD2-CD1 3.03Å; Y283-I467 HydrophobicContact CE2-CD1 3.81Å; Y283-I467 HydrophobicContact CG-CD1 3.27Å
284F84.2Confident84.6Confident2 Ų240 Ų401%0.00925%0.248CC..Hα-helixtrans-58-39.8177-83.9-70.8000111.8L224 C228 L259 F262 L263 V266 I280 G281 C286 I287 M288L224-F284 HydrophobicContact CD2-CE2 3.86Å; L224-F284 HydrophobicContact CD2-CZ 4.29Å; C228-F284 HydrophobicContact CB-CE1 4.05Å; C228-F284 HydrophobicContact CB-CZ 3.78Å; C228-F284 WeakPolarHBondContact SG-CE1 3.14Å; C228-F284 VanDerWaalsContact SG-CZ 3.5Å; L259-F284 HydrophobicContact CD1-CD1 3.62Å; L259-F284 HydrophobicContact CD1-CE1 3.88Å; F262-F284 HydrophobicContact CB-CE1 4.31Å; L263-F284 HydrophobicContact CD1-CB 3.94Å; L263-F284 HydrophobicContact CD1-CG 4.48Å; V266-F284 HydrophobicContact CG2-CE2 4Å; V266-F284 HydrophobicContact CG2-CZ 4.43Å; I280-F284 HydrophobicContact CD1-CD2 4.41Å; I280-F284 HydrophobicContact CD1-CE2 4.1Å; I280-F284 HydrophobicContact CG1-CD2 4.05Å; I280-F284 HydrophobicContact CG1-CE2 3.83Å; I280-F284 WeakPolarHBondContact O-CD2 3.36Å; I280-F284 PolarHBondContact O-N 3.05Å; G281-F284 PolarHBondContact O-N 3.38Å; F284-C286 PolarHBondContact O-N 2.87Å; F284-I287 PolarHBondContact O-N 3.42Å; F284-M288 WeakPolarHBondContact O-CB 3.32Å; F284-M288 VanDerWaalsContact O-CG 3.27Å; F284-M288 WeakPolarHBondContact O-CG 3.39Å; F284-M288 PolarHBondContact O-N 2.71Å
285S84.1Confident85.2Confident55 Ų5535.5 Ų35.539%0.38522%0.215SC..Hα-helixtrans-62.9-42.1176.4-58.90000111.9G281 T282 Y283 M288 I289G281-S285 WeakPolarHBondContact O-CB 3.39Å; G281-S285 PolarHBondContact O-N 2.79Å; G281-S285 PolarHBondContact O-OG 3.15Å; T282-S285 WeakPolarHBondContact O-CB 3.47Å; T282-S285 PolarHBondContact O-N 2.87Å; Y283-S285 PolarHBondContact O-N 3.47Å; S285-M288 PolarHBondContact O-N 2.97Å; S285-I289 WeakPolarHBondContact O-CG1 3.33Å; S285-I289 PolarHBondContact O-N 3.44Å; S285-I289 VanDerWaalsContact O-N 3.09Å
286C87.2Confident86Confident43 Ų4334.5 Ų34.529%0.29121%0.213SC..Hα-helixtrans-62.9-44.9174-70.40000112T282 Y283 F284 M288 I289 V290 F459T282-C286 PolarHBondContact O-N 3.38Å; T282-C286 PolarHBondContact O-SG 3.04Å; T282-C286 VanDerWaalsContact O-SG 3.34Å; Y283-C286 WeakPolarHBondContact O-CB 3.35Å; Y283-C286 PolarHBondContact O-N 2.79Å; Y283-C286 VanDerWaalsContact O-N 3.1Å; F284-C286 PolarHBondContact O-N 2.87Å; C286-M288 VanDerWaalsContact C-N 3.33Å; C286-M288 PolarHBondContact O-N 3.49Å; C286-I289 PolarHBondContact O-N 3.42Å; C286-V290 WeakPolarHBondContact O-CG2 3.43Å; C286-V290 PolarHBondContact O-N 2.88Å; C286-F459 HydrophobicContact CB-CE1 4.35Å
287I87.5Confident86.8Confident1 Ų135.7 Ų35.71%0.00522%0.216CC..Hα-helixtrans-62.5-42.7176.4-58171.1000110.1L259 Y283 F284 I289 V290 V291 L460L259-I287 HydrophobicContact CD1-CG2 4.13Å; L259-I287 HydrophobicContact CD2-CB 3.98Å; L259-I287 HydrophobicContact CD2-CG2 3.43Å; L259-I287 VanDerWaalsContact CD2-CG2 3.43Å; L259-I287 HydrophobicContact CG-CG2 4.46Å; Y283-I287 HydrophobicContact CD1-CD1 3.97Å; Y283-I287 HydrophobicContact CD2-CD1 4.19Å; Y283-I287 HydrophobicContact CD2-CG1 4.2Å; Y283-I287 HydrophobicContact CE1-CD1 3.61Å; Y283-I287 HydrophobicContact CE2-CD1 3.84Å; Y283-I287 HydrophobicContact CE2-CG1 3.97Å; Y283-I287 HydrophobicContact CG-CD1 4.27Å; Y283-I287 WeakPolarHBondContact O-CG1 3.46Å; Y283-I287 PolarHBondContact O-N 2.89Å; F284-I287 PolarHBondContact O-N 3.42Å; I287-I289 VanDerWaalsContact C-N 3.29Å; I287-I289 PolarHBondContact O-N 2.94Å; I287-V290 CarbonylContact O-C 3.55Å; I287-V290 WeakPolarHBondContact O-CB 3.29Å; I287-V290 PolarHBondContact O-N 2.91Å; I287-V290 VanDerWaalsContact O-N 3.08Å; I287-V291 HydrophobicContact CG2-CG2 3.88Å; I287-V291 VanDerWaalsContact O-CG2 3.3Å; I287-V291 WeakPolarHBondContact O-CG2 3.38Å; I287-V291 PolarHBondContact O-N 3.28Å; I287-L460 HydrophobicContact CG1-CD2 4.31Å
288M87.8Confident87.4Confident33 Ų3331 Ų3116%0.16319%0.187CC..Hα-helixtrans-57.7-41.9177.8-79.8-64.3-58.700112.2F256 L259 C260 F284 S285 C286 S292F256-M288 HydrophobicContact CD2-CE 4.06Å; F256-M288 HydrophobicContact CE2-CE 3.38Å; F256-M288 HydrophobicContact CE2-SD 4.44Å; F256-M288 HydrophobicContact CZ-CE 3.77Å; L259-M288 HydrophobicContact CB-SD 3.82Å; L259-M288 HydrophobicContact CD2-CB 4.35Å; L259-M288 HydrophobicContact CD2-CG 3.72Å; L259-M288 HydrophobicContact CD2-SD 3.32Å; L259-M288 WeakPolarHBondContact CD2-SD 3.32Å; L259-M288 HydrophobicContact CG-CG 3.98Å; L259-M288 HydrophobicContact CG-SD 3.4Å; L259-M288 WeakPolarHBondContact CG-SD 3.36Å; C260-M288 WeakPolarHBondContact SG-CE 3.49Å; F284-M288 WeakPolarHBondContact O-CB 3.32Å; F284-M288 VanDerWaalsContact O-CG 3.27Å; F284-M288 WeakPolarHBondContact O-CG 3.39Å; F284-M288 PolarHBondContact O-N 2.71Å; S285-M288 PolarHBondContact O-N 2.97Å; C286-M288 VanDerWaalsContact C-N 3.33Å; C286-M288 PolarHBondContact O-N 3.49Å; M288-S292 WeakPolarHBondContact O-CB 3.32Å; M288-S292 PolarHBondContact O-N 3.06Å; M288-S292 PolarHBondContact O-OG 3.26Å
289I89.5Confident87.8Confident116 Ų11634 Ų3460%0.59521%0.205SC*.Hα-helixtrans-65.7-43175.1-66165.9000110.6S285 C286 I287 S292 A293S285-I289 WeakPolarHBondContact O-CG1 3.33Å; S285-I289 PolarHBondContact O-N 3.44Å; S285-I289 VanDerWaalsContact O-N 3.09Å; C286-I289 PolarHBondContact O-N 3.42Å; I287-I289 VanDerWaalsContact C-N 3.29Å; I287-I289 PolarHBondContact O-N 2.94Å; I289-S292 WeakPolarHBondContact CA-OG 3.45Å; I289-S292 PolarHBondContact O-OG 2.97Å; I289-A293 WeakPolarHBondContact O-CB 3.42Å; I289-A293 PolarHBondContact O-N 3.26Å
290V89.5Confident88.3Confident9 Ų936.4 Ų36.46%0.05522%0.218CC..Hα-helixtrans-62.8-44.9177169.20000111.6C286 I287 A293 S294 F456 F459 L460C286-V290 WeakPolarHBondContact O-CG2 3.43Å; C286-V290 PolarHBondContact O-N 2.88Å; I287-V290 CarbonylContact O-C 3.55Å; I287-V290 WeakPolarHBondContact O-CB 3.29Å; I287-V290 PolarHBondContact O-N 2.91Å; I287-V290 VanDerWaalsContact O-N 3.08Å; V290-A293 PolarHBondContact O-N 3.01Å; V290-S294 WeakPolarHBondContact O-CB 3.34Å; V290-S294 PolarHBondContact O-N 3Å; V290-F456 HydrophobicContact CG1-CB 4.39Å; V290-F456 HydrophobicContact CG1-CD1 3.64Å; V290-F456 HydrophobicContact CG1-CE1 4.12Å; V290-F456 HydrophobicContact CG1-CG 4.15Å; V290-F459 HydrophobicContact CG2-CD1 3.33Å; V290-F459 HydrophobicContact CG2-CE1 3.3Å; V290-F459 HydrophobicContact CG2-CG 4.43Å; V290-F459 HydrophobicContact CG2-CZ 4.39Å; V290-L460 HydrophobicContact CG1-CD1 4.4Å; V290-L460 HydrophobicContact CG1-CD2 4.22Å; V290-L460 HydrophobicContact CG1-CG 4.33Å; V290-L460 HydrophobicContact CG2-CD2 4.37Å
291V90.2Very high88.8Confident1 Ų135.9 Ų35.91%0.00622%0.215CC..Hα-helixtrans-68.8-43-178.5177.70000110.7T235 F256 L259 I287 A293 S294 V295T235-V291 HydrophobicContact CG2-CG2 3.36Å; F256-V291 HydrophobicContact CB-CG1 3.75Å; F256-V291 HydrophobicContact CD2-CB 4.45Å; F256-V291 HydrophobicContact CD2-CG1 3.9Å; F256-V291 HydrophobicContact CG-CG1 4.34Å; L259-V291 HydrophobicContact CD2-CB 4.42Å; L259-V291 HydrophobicContact CD2-CG2 4.02Å; I287-V291 HydrophobicContact CG2-CG2 3.88Å; I287-V291 VanDerWaalsContact O-CG2 3.3Å; I287-V291 WeakPolarHBondContact O-CG2 3.38Å; I287-V291 PolarHBondContact O-N 3.28Å; V291-A293 VanDerWaalsContact C-N 3.35Å; V291-A293 PolarHBondContact O-N 2.98Å; V291-S294 WeakPolarHBondContact CA-OG 3.19Å; V291-S294 WeakPolarHBondContact O-CB 3.37Å; V291-S294 PolarHBondContact O-N 3.36Å; V291-S294 VanDerWaalsContact O-N 3.13Å; V291-S294 PolarHBondContact O-OG 3.44Å; V291-V295 WeakPolarHBondContact O-CG2 3.48Å; V291-V295 PolarHBondContact O-N 3.21Å
292S90.7Very high89.3Confident49 Ų4937.1 Ų37.134%0.34322%0.22SC..Hα-helixtrans-61.3-43.3174.355.80000112M288 I289 S294 V295 V296M288-S292 WeakPolarHBondContact O-CB 3.32Å; M288-S292 PolarHBondContact O-N 3.06Å; M288-S292 PolarHBondContact O-OG 3.26Å; I289-S292 WeakPolarHBondContact CA-OG 3.45Å; I289-S292 PolarHBondContact O-OG 2.97Å; S292-S294 VanDerWaalsContact C-N 3.32Å; S292-S294 PolarHBondContact O-N 3.12Å; S292-V295 PolarHBondContact O-N 2.86Å; S292-V296 WeakPolarHBondContact O-CG2 3.4Å; S292-V296 PolarHBondContact O-N 3.44Å
293A91.4Very high89.7Confident37 Ų3738.4 Ų38.431%0.30623%0.225SC..Hα-helixtrans-62.4-38.5172.900000112.2I289 V290 V291 V296 L297 F456I289-A293 WeakPolarHBondContact O-CB 3.42Å; I289-A293 PolarHBondContact O-N 3.26Å; V290-A293 PolarHBondContact O-N 3.01Å; V291-A293 VanDerWaalsContact C-N 3.35Å; V291-A293 PolarHBondContact O-N 2.98Å; A293-V296 PolarHBondContact O-N 3.01Å; A293-L297 WeakPolarHBondContact O-CB 3.02Å; A293-L297 WeakPolarHBondContact O-CD1 3.49Å; A293-L297 VanDerWaalsContact O-CG 3.29Å; A293-L297 WeakPolarHBondContact O-CG 3.27Å; A293-L297 PolarHBondContact O-N 3.08Å; A293-F456 HydrophobicContact CB-CE1 4.3Å; A293-F456 HydrophobicContact CB-CZ 4.05Å
294S91Very high89.8Confident2 Ų239.9 Ų39.91%0.01423%0.232CC..Hα-helixtrans-61.4-47.2177.576.50000111.9V290 V291 S292 V296 L297 T298V290-S294 WeakPolarHBondContact O-CB 3.34Å; V290-S294 PolarHBondContact O-N 3Å; V291-S294 WeakPolarHBondContact CA-OG 3.19Å; V291-S294 WeakPolarHBondContact O-CB 3.37Å; V291-S294 PolarHBondContact O-N 3.36Å; V291-S294 VanDerWaalsContact O-N 3.13Å; V291-S294 PolarHBondContact O-OG 3.44Å; S292-S294 VanDerWaalsContact C-N 3.32Å; S292-S294 PolarHBondContact O-N 3.12Å; S294-V296 VanDerWaalsContact C-N 3.34Å; S294-V296 PolarHBondContact O-N 3.33Å; S294-L297 CarbonylContact O-C 3.46Å; S294-L297 PolarHBondContact O-N 2.92Å; S294-L297 VanDerWaalsContact O-N 3.15Å; S294-T298 WeakPolarHBondContact O-CG2 3.41Å; S294-T298 PolarHBondContact O-N 3.21Å; S294-T298 PolarHBondContact O-OG1 2.84Å
295V91.6Very high90.1Very high28 Ų2840.2 Ų40.217%0.1723%0.233CC..Hα-helixtrans-63.4-39.9179.7174.40000111.1L249 I253 V291 S292 T298 V299L249-V295 HydrophobicContact CD1-CG1 4.2Å; I253-V295 HydrophobicContact CG1-CG1 4.47Å; V291-V295 WeakPolarHBondContact O-CG2 3.48Å; V291-V295 PolarHBondContact O-N 3.21Å; S292-V295 PolarHBondContact O-N 2.86Å; V295-T298 WeakPolarHBondContact CA-OG1 3.45Å; V295-T298 PolarHBondContact O-N 3.31Å; V295-T298 PolarHBondContact O-OG1 3.37Å; V295-V299 WeakPolarHBondContact O-CG2 3.47Å; V295-V299 PolarHBondContact O-N 3.48Å; V295-V299 VanDerWaalsContact O-N 3.16Å
296V92.3Very high90.3Very high91 Ų9143.7 Ų43.755%0.55224%0.243SC*.Hα-helixtrans-64.7-42.6175.3174.80000111.1S292 A293 S294 V299 L300S292-V296 WeakPolarHBondContact O-CG2 3.4Å; S292-V296 PolarHBondContact O-N 3.44Å; A293-V296 PolarHBondContact O-N 3.01Å; S294-V296 VanDerWaalsContact C-N 3.34Å; S294-V296 PolarHBondContact O-N 3.33Å; V296-V299 PolarHBondContact O-N 3.08Å; V296-L300 WeakPolarHBondContact O-CG 3.27Å; V296-L300 PolarHBondContact O-N 3.34Å; V296-L300 VanDerWaalsContact O-N 3.13Å
297L90.9Very high90.3Very high49 Ų4944.2 Ų44.226%0.25724%0.239SC..Hα-helixtrans-69.2-36.1179-72.4163.9000112.4A293 S294 V299 L300 V301 F456A293-L297 WeakPolarHBondContact O-CB 3.02Å; A293-L297 WeakPolarHBondContact O-CD1 3.49Å; A293-L297 VanDerWaalsContact O-CG 3.29Å; A293-L297 WeakPolarHBondContact O-CG 3.27Å; A293-L297 PolarHBondContact O-N 3.08Å; S294-L297 CarbonylContact O-C 3.46Å; S294-L297 PolarHBondContact O-N 2.92Å; S294-L297 VanDerWaalsContact O-N 3.15Å; L297-V299 VanDerWaalsContact C-N 3.34Å; L297-L300 HydrophobicContact CD2-CD1 4.27Å; L297-L300 WeakPolarHBondContact O-CB 3.45Å; L297-L300 PolarHBondContact O-N 2.94Å; L297-L300 VanDerWaalsContact O-N 3.17Å; L297-V301 WeakPolarHBondContact O-CG2 3.4Å; L297-V301 PolarHBondContact O-N 2.91Å; L297-F456 HydrophobicContact CD1-CE2 3.55Å; L297-F456 HydrophobicContact CD1-CZ 3.47Å; L297-F456 VanDerWaalsContact CD1-CZ 3.47Å
298T91.4Very high90.1Very high0 Ų046.8 Ų46.80%026%0.255CS..Hα-helixtrans-65.5-38.2174.956.30000111.6D238 F239 K248 S294 V295 L300 V301 L302D238-T298 WeakPolarHBondContact OD2-CG2 3.35Å; F239-T298 HydrophobicContact CE1-CG2 4.2Å; K248-T298 HydrophobicContact CD-CG2 4.4Å; K248-T298 HydrophobicContact CG-CG2 4.41Å; S294-T298 WeakPolarHBondContact O-CG2 3.41Å; S294-T298 PolarHBondContact O-N 3.21Å; S294-T298 PolarHBondContact O-OG1 2.84Å; V295-T298 WeakPolarHBondContact CA-OG1 3.45Å; V295-T298 PolarHBondContact O-N 3.31Å; V295-T298 PolarHBondContact O-OG1 3.37Å; T298-L300 VanDerWaalsContact C-N 3.31Å; T298-L300 PolarHBondContact O-N 2.97Å; T298-V301 PolarHBondContact O-N 3.09Å; T298-L302 WeakPolarHBondContact O-CB 3.3Å; T298-L302 VanDerWaalsContact O-CG 3.24Å; T298-L302 WeakPolarHBondContact O-CG 3.37Å; T298-L302 PolarHBondContact O-N 2.93Å
299V92.7Very high89.6Confident73 Ų7346 Ų4644%0.44226%0.255SS..Hα-helixtrans-60.2-41.1171.3173.40000111.3L249 V295 V296 L297 L302 N303L249-V299 HydrophobicContact CD1-CG2 3.86Å; V295-V299 WeakPolarHBondContact O-CG2 3.47Å; V295-V299 PolarHBondContact O-N 3.48Å; V295-V299 VanDerWaalsContact O-N 3.16Å; V296-V299 PolarHBondContact O-N 3.08Å; L297-V299 VanDerWaalsContact C-N 3.34Å; V299-L302 PolarHBondContact O-N 2.99Å; V299-N303 WeakPolarHBondContact O-CB 3.33Å; V299-N303 PolarHBondContact O-N 3.12Å
300L91.6Very high89.1Confident85 Ų8547.6 Ų47.645%0.44526%0.26SS..Hα-helixtrans-65.9-44.1175.3-68.6173.9000112.3V296 L297 T298 L302 N303 F304V296-L300 WeakPolarHBondContact O-CG 3.27Å; V296-L300 PolarHBondContact O-N 3.34Å; V296-L300 VanDerWaalsContact O-N 3.13Å; L297-L300 HydrophobicContact CD2-CD1 4.27Å; L297-L300 WeakPolarHBondContact O-CB 3.45Å; L297-L300 PolarHBondContact O-N 2.94Å; L297-L300 VanDerWaalsContact O-N 3.17Å; T298-L300 VanDerWaalsContact C-N 3.31Å; T298-L300 PolarHBondContact O-N 2.97Å; L300-L302 VanDerWaalsContact C-N 3.35Å; L300-L302 PolarHBondContact O-N 3.1Å; L300-N303 WeakPolarHBondContact O-CB 3.41Å; L300-N303 PolarHBondContact O-N 3.47Å; L300-F304 WeakPolarHBondContact O-CD2 3.21Å; L300-F304 PolarHBondContact O-N 3.36Å
301V91.5Very high88.9Confident1 Ų151.6 Ų51.61%0.00628%0.284CS..Hα-helixtrans-61.1-43.8176.2169.90000110.6L297 T298 N303 F304 H305 A445 I448 D449L297-V301 WeakPolarHBondContact O-CG2 3.4Å; L297-V301 PolarHBondContact O-N 2.91Å; T298-V301 PolarHBondContact O-N 3.09Å; V301-N303 VanDerWaalsContact C-N 3.34Å; V301-N303 PolarHBondContact O-N 3.24Å; V301-F304 PolarHBondContact O-N 3.31Å; V301-H305 WeakPolarHBondContact O-CB 3.43Å; V301-H305 PolarHBondContact O-N 2.89Å; V301-A445 HydrophobicContact CG1-CB 4.16Å; V301-I448 HydrophobicContact CG2-CB 4.19Å; V301-I448 HydrophobicContact CG2-CG2 3.67Å; V301-D449 HydrophobicContact CG1-CB 4.29Å
302L91.6Very high88.7Confident33 Ų3355.5 Ų55.517%0.17330%0.302CS..Hα-helixtrans-64.2-38.5175.8-72.9169.9000112P243 L249 T298 V299 L300 H305 H306P243-L302 HydrophobicContact CB-CD2 3.74Å; L249-L302 HydrophobicContact CB-CD1 4.13Å; T298-L302 WeakPolarHBondContact O-CB 3.3Å; T298-L302 VanDerWaalsContact O-CG 3.24Å; T298-L302 WeakPolarHBondContact O-CG 3.37Å; T298-L302 PolarHBondContact O-N 2.93Å; V299-L302 PolarHBondContact O-N 2.99Å; L300-L302 VanDerWaalsContact C-N 3.35Å; L300-L302 PolarHBondContact O-N 3.1Å; L302-H305 PolarHBondContact O-N 3.3Å; L302-H306 PolarHBondContact O-N 3.18Å; L302-H306 PolarHBondContact O-ND1 3.27Å
303N91.2Very high88.3Confident86 Ų8661.4 Ų61.446%0.4632%0.324SS..Hα-helixtrans-62.4-45.2173.8-174.7-82.2000111.1V299 L300 V301 R307V299-N303 WeakPolarHBondContact O-CB 3.33Å; V299-N303 PolarHBondContact O-N 3.12Å; L300-N303 WeakPolarHBondContact O-CB 3.41Å; L300-N303 PolarHBondContact O-N 3.47Å; V301-N303 VanDerWaalsContact C-N 3.34Å; V301-N303 PolarHBondContact O-N 3.24Å; N303-R307 WeakPolarHBondContact O-CG 3.39Å; N303-R307 PolarHBondContact OD1-NE 3.13Å; N303-R307 VanDerWaalsContact OD1-NE 3.17Å; N303-R307 PolarHBondContact OD1-NH2 3.17Å
304F88Confident88Confident44 Ų4461.4 Ų61.419%0.19332%0.318CS..Hα-helixtrans-67-38.5177.1-77.4-61.2000113L300 V301 H306 R307 W441 A445 I448L300-F304 WeakPolarHBondContact O-CD2 3.21Å; L300-F304 PolarHBondContact O-N 3.36Å; V301-F304 PolarHBondContact O-N 3.31Å; F304-H306 VanDerWaalsContact C-N 3.34Å; F304-H306 PolarHBondContact O-N 3.05Å; F304-R307 VanDerWaalsContact CE1-CZ 3.48Å; F304-R307 VanDerWaalsContact CE1-NH1 3.32Å; F304-R307 PolarHBondContact O-N 2.94Å; F304-W441 AromaticContact CD1-CE3 3.93Å; F304-W441 HydrophobicContact CD1-CE3 3.93Å; F304-W441 HydrophobicContact CD1-CH2 4.42Å; F304-W441 AromaticContact CD1-CZ3 3.44Å; F304-W441 HydrophobicContact CD1-CZ3 3.44Å; F304-W441 VanDerWaalsContact CD1-CZ3 3.44Å; F304-W441 AromaticContact CE1-CZ3 3.82Å; F304-W441 HydrophobicContact CE1-CZ3 3.82Å; F304-A445 HydrophobicContact CB-CB 4.27Å; F304-I448 HydrophobicContact CD2-CD1 3.86Å; F304-I448 HydrophobicContact CE2-CD1 4.08Å
305H89.9Confident87.8Confident9 Ų963.6 Ų63.64%0.04233%0.334CS..Hα-helixtrans-62.6-38-178.5-179.9-95.5000113P243 D244 V301 L302 K442 A445P243-H305 HydrophobicContact CB-CB 4.38Å; P243-H305 HydrophobicContact CG-CB 4.36Å; P243-H305 VanDerWaalsContact CG-CD2 3.4Å; P243-H305 WeakPolarHBondContact CG-CD2 3.43Å; D244-H305 IonicContact OD1-CE1 3.35Å; D244-H305 PolarHBondContact OD1-CE1 2.93Å; D244-H305 IonicContact OD1-NE2 2.8Å; D244-H305 PolarHBondContact OD1-NE2 3.29Å; V301-H305 WeakPolarHBondContact O-CB 3.43Å; V301-H305 PolarHBondContact O-N 2.89Å; L302-H305 PolarHBondContact O-N 3.3Å; H305-K442 WeakPolarHBondContact NE2-CE 3.4Å; H305-A445 HydrophobicContact CB-CB 3.97Å
306H88.3Confident87.4Confident128 Ų12867.5 Ų67.559%0.59336%0.36SS*.THydrogen-bonded Turntrans-91.511.7-178-64.397.8000114L302 F304L302-H306 PolarHBondContact O-N 3.18Å; L302-H306 PolarHBondContact O-ND1 3.27Å; F304-H306 VanDerWaalsContact C-N 3.34Å; F304-H306 PolarHBondContact O-N 3.05Å
307R87.9Confident87.1Confident54 Ų5468.1 Ų68.120%0.20436%0.364CS..  trans-74.6127.5173.9-75.3176.8-170.2-160.8-0.2111.1N303 F304 H312 W441N303-R307 WeakPolarHBondContact O-CG 3.39Å; N303-R307 PolarHBondContact OD1-NE 3.13Å; N303-R307 VanDerWaalsContact OD1-NE 3.17Å; N303-R307 PolarHBondContact OD1-NH2 3.17Å; F304-R307 VanDerWaalsContact CE1-CZ 3.48Å; F304-R307 VanDerWaalsContact CE1-NH1 3.32Å; F304-R307 PolarHBondContact O-N 2.94Å; R307-H312 HydrophobicContact CG-CB 4.49Å; R307-W441 HydrophobicContact CB-CD2 3.84Å; R307-W441 HydrophobicContact CB-CE3 4.31Å; R307-W441 HydrophobicContact CB-CG 3.98Å
308T83Confident86.9Confident54 Ų5468.1 Ų68.133%0.33137%0.366SS..  trans-100.7154.3174.454.70000111.3E310 T311 H312T308-E310 PolarHBondContact O-N 3.31Å; T308-T311 PolarHBondContact O-N 3.4Å; T308-T311 PolarHBondContact O-OG1 3.36Å; T308-T311 PolarHBondContact OG1-OG1 3.25Å; T308-H312 PolarHBondContact O-N 3.49Å; T308-H312 VanDerWaalsContact O-N 3.15Å
309G76.9Confident86.6Confident16 Ų1673.4 Ų73.417%0.16539%0.386CS..THydrogen-bonded Turntrans-64.4-19.5179.400000114.8
310E79.9Confident86.2Confident151 Ų15174.6 Ų74.671%0.70639%0.389SS*.THydrogen-bonded Turntrans-76-31.1176.4-58.9-169.3142.900112.9T308T308-E310 PolarHBondContact O-N 3.31Å
311T85.3Confident86Confident92 Ų9275 Ų7556%0.56439%0.391SS*.THydrogen-bonded Turntrans-97.2-33.2-174.858.50000112.7T308T308-T311 PolarHBondContact O-N 3.4Å; T308-T311 PolarHBondContact O-OG1 3.36Å; T308-T311 PolarHBondContact OG1-OG1 3.25Å
312H86Confident85.8Confident83 Ų8375.6 Ų75.638%0.38439%0.394SS..  trans-138.5121-173.3-66.380.2000111.9R307 T308 W441R307-H312 HydrophobicContact CG-CB 4.49Å; T308-H312 PolarHBondContact O-N 3.49Å; T308-H312 VanDerWaalsContact O-N 3.15Å; H312-W441 HydrophobicContact CB-CZ2 4.06Å
313H82.8Confident85.3Confident174 Ų17474.2 Ų74.281%0.80639%0.387SS*.PPolyproline II helixtrans-87.8127.9166.4-67.9-65.5000110.5S315H313-S315 PolarHBondContact O-N 3.39Å
314M83.8Confident84.8Confident36 Ų3672.6 Ų72.618%0.17738%0.378CS..PPolyproline II helixtrans-71.3118.3176.2-164.9-179.4-156.800109.5V318 R319 L322 L323 W441 A444M314-V318 HydrophobicContact CE-CG1 3.8Å; M314-V318 HydrophobicContact CG-CB 4.28Å; M314-V318 HydrophobicContact CG-CG1 4.01Å; M314-R319 HydrophobicContact CE-CB 4.47Å; M314-R319 HydrophobicContact CG-CB 4.15Å; M314-R319 HydrophobicContact SD-CB 3.85Å; M314-R319 HydrophobicContact SD-CG 3.86Å; M314-L322 HydrophobicContact CE-CB 4.07Å; M314-L322 HydrophobicContact CE-CD1 4.18Å; M314-L323 HydrophobicContact CE-CD1 4.32Å; M314-L323 HydrophobicContact CE-CD2 4.32Å; M314-L323 HydrophobicContact CE-CG 3.98Å; M314-L323 HydrophobicContact SD-CD1 4.08Å; M314-L323 HydrophobicContact SD-CG 4.4Å; M314-W441 HydrophobicContact CB-CH2 4.39Å; M314-W441 HydrophobicContact CB-CZ2 3.92Å; M314-W441 HydrophobicContact CG-CH2 4.27Å; M314-W441 HydrophobicContact CG-CZ2 4.27Å; M314-A444 HydrophobicContact CE-CB 4.06Å
315S86.2Confident84.6Confident48 Ų4877.2 Ų77.234%0.33639%0.394SS..PPolyproline II helixtrans-63.6149177.669.40000110.6H313 T317 V318 R319H313-S315 PolarHBondContact O-N 3.39Å; S315-T317 PolarHBondContact O-N 3.35Å; S315-T317 VanDerWaalsContact O-N 3.12Å; S315-T317 PolarHBondContact OG-OG1 2.96Å; S315-V318 PolarHBondContact O-N 3.37Å; S315-V318 VanDerWaalsContact O-N 3.13Å; S315-V318 WeakPolarHBondContact OG-CB 3.35Å; S315-V318 WeakPolarHBondContact OG-CG2 3.5Å; S315-V318 PolarHBondContact OG-N 3.48Å; S315-R319 PolarHBondContact O-N 3.42Å
316P84.8Confident84.4Confident111 Ų11177 Ų7772%0.72139%0.393SS*.Hα-helixtrans-56.8-31.4-178.8-26.434.5000113.5L320P316-L320 WeakPolarHBondContact O-CB 3.25Å; P316-L320 PolarHBondContact O-N 3.24Å
317T85.8Confident84.2Confident104 Ų10471 Ų7164%0.63837%0.366SS*.Hα-helixtrans-70.7-47177.251.10000112S315 R319 L320 L321S315-T317 PolarHBondContact O-N 3.35Å; S315-T317 VanDerWaalsContact O-N 3.12Å; S315-T317 PolarHBondContact OG-OG1 2.96Å; T317-R319 VanDerWaalsContact C-N 3.28Å; T317-R319 PolarHBondContact O-N 3.13Å; T317-L320 PolarHBondContact O-N 3.36Å; T317-L321 WeakPolarHBondContact O-CB 3.37Å; T317-L321 PolarHBondContact O-N 3.5Å
318V85.9Confident83.9Confident48 Ų4877.5 Ų77.529%0.29139%0.391SS..Hα-helixtrans-63.5-38.6177173.80000110.2M314 S315 L321 L322M314-V318 HydrophobicContact CE-CG1 3.8Å; M314-V318 HydrophobicContact CG-CB 4.28Å; M314-V318 HydrophobicContact CG-CG1 4.01Å; S315-V318 PolarHBondContact O-N 3.37Å; S315-V318 VanDerWaalsContact O-N 3.13Å; S315-V318 WeakPolarHBondContact OG-CB 3.35Å; S315-V318 WeakPolarHBondContact OG-CG2 3.5Å; S315-V318 PolarHBondContact OG-N 3.48Å; V318-L321 PolarHBondContact O-N 3.04Å; V318-L322 HydrophobicContact CG1-CD1 3.56Å; V318-L322 HydrophobicContact CG1-CG 4.21Å; V318-L322 WeakPolarHBondContact O-CB 3.18Å; V318-L322 PolarHBondContact O-N 3.3Å
319R85.9Confident83.9Confident112 Ų11279 Ų7942%0.42340%0.397SS..Hα-helixtrans-59.4-51174.2-162.3-179.8-167.1174.98.6112M314 S315 T317 L321 L323 D440M314-R319 HydrophobicContact CE-CB 4.47Å; M314-R319 HydrophobicContact CG-CB 4.15Å; M314-R319 HydrophobicContact SD-CB 3.85Å; M314-R319 HydrophobicContact SD-CG 3.86Å; S315-R319 PolarHBondContact O-N 3.42Å; T317-R319 VanDerWaalsContact C-N 3.28Å; T317-R319 PolarHBondContact O-N 3.13Å; R319-L321 VanDerWaalsContact C-N 3.34Å; R319-L321 PolarHBondContact O-N 3.19Å; R319-L323 HydrophobicContact CG-CD1 3.5Å; R319-L323 VanDerWaalsContact CG-CD1 3.5Å; R319-L323 HydrophobicContact CG-CG 4.19Å; R319-L323 WeakPolarHBondContact O-CA 3.5Å; R319-L323 WeakPolarHBondContact O-CB 3.48Å; R319-L323 PolarHBondContact O-N 3.11Å; R319-D440 IonicContact CZ-OD2 2.76Å; R319-D440 IonicContact NE-OD2 3.45Å; R319-D440 IonicContact NH2-OD2 2.69Å; R319-D440 PolarHBondContact NH2-OD2 3.41Å
320L84.1Confident84.2Confident98 Ų9878.9 Ų78.951%0.51339%0.392SS..Iπ-helixtrans-63-41178.9-170.774.2000111.8P316 T317 D324 W325P316-L320 WeakPolarHBondContact O-CB 3.25Å; P316-L320 PolarHBondContact O-N 3.24Å; T317-L320 PolarHBondContact O-N 3.36Å; L320-D324 HydrophobicContact CD1-CB 4.25Å; L320-D324 WeakPolarHBondContact O-CB 3.39Å; L320-D324 PolarHBondContact O-N 3.15Å; L320-W325 PolarHBondContact O-N 3.47Å
321L87.8Confident84.3Confident93 Ų9379.6 Ų79.649%0.48740%0.397SS..Iπ-helixtrans-69.2-50.8-178.5-170.3152.6000111.8T317 V318 R319 L326T317-L321 WeakPolarHBondContact O-CB 3.37Å; T317-L321 PolarHBondContact O-N 3.5Å; V318-L321 PolarHBondContact O-N 3.04Å; R319-L321 VanDerWaalsContact C-N 3.34Å; R319-L321 PolarHBondContact O-N 3.19Å; L321-L326 VanDerWaalsContact O-CB 3.24Å; L321-L326 WeakPolarHBondContact O-CB 3.46Å; L321-L326 PolarHBondContact O-N 2.99Å
322L85.8Confident83.9Confident14 Ų1476.6 Ų76.67%0.07338%0.377CS..Iπ-helixtrans-85.8-30.4-172.3-64178.7000114.2M314 V318 L326 P327 A444 I448M314-L322 HydrophobicContact CE-CB 4.07Å; M314-L322 HydrophobicContact CE-CD1 4.18Å; V318-L322 HydrophobicContact CG1-CD1 3.56Å; V318-L322 HydrophobicContact CG1-CG 4.21Å; V318-L322 WeakPolarHBondContact O-CB 3.18Å; V318-L322 PolarHBondContact O-N 3.3Å; L322-L326 HydrophobicContact CD2-CD2 3.99Å; L322-P327 VanDerWaalsContact O-CD 3.27Å; L322-P327 WeakPolarHBondContact O-CD 2.98Å; L322-P327 WeakPolarHBondContact O-CG 3.49Å; L322-A444 HydrophobicContact CB-CB 3.91Å; L322-A444 HydrophobicContact CD1-CB 3.96Å; L322-I448 HydrophobicContact CD1-CD1 4.15Å; L322-I448 HydrophobicContact CD2-CD1 3.87Å; L322-I448 HydrophobicContact CD2-CG1 3.73Å
323L82.5Confident83.2Confident4 Ų482 Ų822%0.02140%0.4CS..Iπ-helixtrans-98.9-23.9-177.2-55.1-176.2000114M314 R319 P327 D440 F443 A444M314-L323 HydrophobicContact CE-CD1 4.32Å; M314-L323 HydrophobicContact CE-CD2 4.32Å; M314-L323 HydrophobicContact CE-CG 3.98Å; M314-L323 HydrophobicContact SD-CD1 4.08Å; M314-L323 HydrophobicContact SD-CG 4.4Å; R319-L323 HydrophobicContact CG-CD1 3.5Å; R319-L323 VanDerWaalsContact CG-CD1 3.5Å; R319-L323 HydrophobicContact CG-CG 4.19Å; R319-L323 WeakPolarHBondContact O-CA 3.5Å; R319-L323 WeakPolarHBondContact O-CB 3.48Å; R319-L323 PolarHBondContact O-N 3.11Å; L323-P327 WeakPolarHBondContact O-CG 3.38Å; L323-D440 HydrophobicContact CD1-CB 4.02Å; L323-D440 WeakPolarHBondContact CD2-O 3.22Å; L323-F443 HydrophobicContact CD2-CD1 3.67Å; L323-F443 HydrophobicContact CD2-CE1 4.45Å; L323-A444 HydrophobicContact CD2-CB 4.13Å
324D80.1Confident82.5Confident51 Ų5175.3 Ų75.327%0.27337%0.367SS..Iπ-helixtrans-113.5-56.9-176.1-60.9-2.2000112L320 W328 F339L320-D324 HydrophobicContact CD1-CB 4.25Å; L320-D324 WeakPolarHBondContact O-CB 3.39Å; L320-D324 PolarHBondContact O-N 3.15Å; D324-W328 WeakPolarHBondContact O-CB 3.49Å; D324-W328 PolarHBondContact O-N 2.99Å; D324-F339 HydrophobicContact CB-CE1 4.09Å; D324-F339 HydrophobicContact CB-CZ 3.74Å; D324-F339 VanDerWaalsContact OD1-CZ 3.29Å; D324-F339 WeakPolarHBondContact OD1-CZ 3.43Å
325W84.4Confident81.5Confident141 Ų14179.1 Ų79.153%0.53440%0.395SS..Iπ-helixtrans-72-49.3-174.7-177.283.2000112.9L320 W328 L329L320-W325 PolarHBondContact O-N 3.47Å; W325-W328 WeakPolarHBondContact O-CB 3.28Å; W325-W328 PolarHBondContact O-N 2.96Å; W325-L329 HydrophobicContact CH2-CD2 3.86Å; W325-L329 HydrophobicContact CZ2-CD2 4.35Å; W325-L329 HydrophobicContact CZ3-CD2 4.12Å; W325-L329 PolarHBondContact O-N 2.79Å
326L86Confident80.2Confident4 Ų481 Ų812%0.02142%0.421CS..Hα-helixtrans-65.1-45-177.4-175.765.5000113L321 L322 W328 L329 L330 A447 I448 L451L321-L326 VanDerWaalsContact O-CB 3.24Å; L321-L326 WeakPolarHBondContact O-CB 3.46Å; L321-L326 PolarHBondContact O-N 2.99Å; L322-L326 HydrophobicContact CD2-CD2 3.99Å; L326-W328 VanDerWaalsContact C-N 3.31Å; L326-W328 PolarHBondContact O-N 3.31Å; L326-L329 WeakPolarHBondContact O-CB 3.34Å; L326-L329 PolarHBondContact O-N 2.95Å; L326-L330 HydrophobicContact CD1-CD1 3.92Å; L326-L330 HydrophobicContact CD1-CG 4.2Å; L326-L330 HydrophobicContact CD2-CD1 4.48Å; L326-L330 HydrophobicContact CG-CD1 3.81Å; L326-L330 HydrophobicContact CG-CG 4.43Å; L326-L330 WeakPolarHBondContact O-CB 3.33Å; L326-L330 VanDerWaalsContact O-CG 3.27Å; L326-L330 WeakPolarHBondContact O-CG 3.34Å; L326-L330 PolarHBondContact O-N 2.89Å; L326-A447 HydrophobicContact CD2-CB 3.76Å; L326-A447 HydrophobicContact CG-CB 4.23Å; L326-I448 HydrophobicContact CD2-CG1 4.33Å; L326-L451 HydrophobicContact CD1-CB 4.11Å; L326-L451 HydrophobicContact CD1-CD1 3.96Å; L326-L451 HydrophobicContact CD1-CD2 3.8Å; L326-L451 HydrophobicContact CD1-CG 4.16Å
327P82.5Confident78.9Confident4 Ų481.3 Ų81.33%0.02641%0.408CS..Hα-helixtrans-67.9-32.1176.8-23.538.6000112.6L322 L323 L330 M331 M332 F443 A447L322-P327 VanDerWaalsContact O-CD 3.27Å; L322-P327 WeakPolarHBondContact O-CD 2.98Å; L322-P327 WeakPolarHBondContact O-CG 3.49Å; L323-P327 WeakPolarHBondContact O-CG 3.38Å; P327-L330 PolarHBondContact O-N 3.29Å; P327-M331 CarbonylContact O-C 3.52Å; P327-M331 WeakPolarHBondContact O-CA 3.33Å; P327-M331 PolarHBondContact O-N 2.93Å; P327-M332 HydrophobicContact CB-CB 3.95Å; P327-M332 PolarHBondContact O-N 2.79Å; P327-F443 HydrophobicContact CB-CE1 4.14Å; P327-F443 HydrophobicContact CB-CZ 4.1Å; P327-F443 HydrophobicContact CG-CE1 3.58Å; P327-F443 HydrophobicContact CG-CZ 4.02Å; P327-A447 HydrophobicContact CG-CB 4.39Å
328W81.5Confident76.9Confident189 Ų18986.4 Ų86.472%0.71642%0.421SS*.Hα-helixtrans-62.8-45.3171.7176.982.8000111.2D324 W325 L326 M331D324-W328 WeakPolarHBondContact O-CB 3.49Å; D324-W328 PolarHBondContact O-N 2.99Å; W325-W328 WeakPolarHBondContact O-CB 3.28Å; W325-W328 PolarHBondContact O-N 2.96Å; L326-W328 VanDerWaalsContact C-N 3.31Å; L326-W328 PolarHBondContact O-N 3.31Å; W328-M331 PolarHBondContact O-N 3.3Å
329L84.1Confident75.2Confident87 Ų8789.4 Ų89.446%0.45543%0.431SS..Hα-helixtrans-62.2-42.3175.5-175.769.9000112.2W325 L326 M331W325-L329 HydrophobicContact CH2-CD2 3.86Å; W325-L329 HydrophobicContact CZ2-CD2 4.35Å; W325-L329 HydrophobicContact CZ3-CD2 4.12Å; W325-L329 PolarHBondContact O-N 2.79Å; L326-L329 WeakPolarHBondContact O-CB 3.34Å; L326-L329 PolarHBondContact O-N 2.95Å; L329-M331 VanDerWaalsContact C-N 3.31Å; L329-M331 PolarHBondContact O-N 3.34Å
330L83.8Confident73.1Confident12 Ų1293 Ų936%0.06344%0.444CS..THydrogen-bonded Turntrans-85.42.3-177.3-61.8173.5000114.3L326 P327 M332 A447 R450 L451 I454L326-L330 HydrophobicContact CD1-CD1 3.92Å; L326-L330 HydrophobicContact CD1-CG 4.2Å; L326-L330 HydrophobicContact CD2-CD1 4.48Å; L326-L330 HydrophobicContact CG-CD1 3.81Å; L326-L330 HydrophobicContact CG-CG 4.43Å; L326-L330 WeakPolarHBondContact O-CB 3.33Å; L326-L330 VanDerWaalsContact O-CG 3.27Å; L326-L330 WeakPolarHBondContact O-CG 3.34Å; L326-L330 PolarHBondContact O-N 2.89Å; P327-L330 PolarHBondContact O-N 3.29Å; L330-M332 HydrophobicContact CB-CG 4.28Å; L330-M332 HydrophobicContact CB-SD 4.46Å; L330-M332 HydrophobicContact CD1-SD 4.27Å; L330-M332 PolarHBondContact O-N 3.47Å; L330-A447 WeakPolarHBondContact CD1-O 3.34Å; L330-R450 HydrophobicContact CD1-CB 4.21Å; L330-R450 HydrophobicContact CD1-CG 4.33Å; L330-R450 PolarHBondContact O-NH2 2.91Å; L330-L451 HydrophobicContact CD1-CB 4.12Å; L330-L451 HydrophobicContact CD2-CB 4.39Å; L330-L451 HydrophobicContact CD2-CD1 4.06Å; L330-I454 HydrophobicContact CD2-CD1 3.54Å
331M80.1Confident71.4Confident166 Ų16694.4 Ų94.482%0.81846%0.462SS*.THydrogen-bonded Turntrans51.933.8-172.8-57-173.6-177.400113.7P327 W328 L329P327-M331 CarbonylContact O-C 3.52Å; P327-M331 WeakPolarHBondContact O-CA 3.33Å; P327-M331 PolarHBondContact O-N 2.93Å; W328-M331 PolarHBondContact O-N 3.3Å; L329-M331 VanDerWaalsContact C-N 3.31Å; L329-M331 PolarHBondContact O-N 3.34Å
332M78.2Confident69.4Low29 Ų2992.6 Ų92.614%0.14346%0.458CS..PPolyproline II helixtrans-80.7127.2173.7-83176.6133.100110.1P327 L330 M446 A447 R450P327-M332 HydrophobicContact CB-CB 3.95Å; P327-M332 PolarHBondContact O-N 2.79Å; L330-M332 HydrophobicContact CB-CG 4.28Å; L330-M332 HydrophobicContact CB-SD 4.46Å; L330-M332 HydrophobicContact CD1-SD 4.27Å; L330-M332 PolarHBondContact O-N 3.47Å; M332-M446 HydrophobicContact CE-CG 3.84Å; M332-M446 HydrophobicContact CE-SD 4.19Å; M332-A447 HydrophobicContact SD-CB 4.29Å; M332-R450 HydrophobicContact CE-CB 3.77Å; M332-R450 HydrophobicContact CE-CG 4.15Å; M332-R450 VanDerWaalsContact CG-NH1 3.27Å; M332-R450 HydrophobicContact SD-CB 4.22Å; M332-R450 VanDerWaalsContact SD-CD 3.57Å; M332-R450 HydrophobicContact SD-CG 4.45Å
333K70.9Confident67.8Low197 Ų19794.4 Ų94.486%0.85747%0.471SS*.PPolyproline II helixtrans-94121.8168.8-68.7179.4-177.4172.60108.4P335K333-P335 WeakPolarHBondContact O-CD 3.49Å
334R68Low66.2Low33 Ų33102.7 Ų102.713%0.12551%0.507CS..PPolyproline II helixtrans-68.9121.1172-168.4168.4-177.3-179.7-1.1109.3G336 R337 D440 F443R334-G336 PolarHBondContact O-N 3.39Å; R334-R337 PolarHBondContact O-N 3.48Å; R334-D440 IonicContact CZ-OD1 3.52Å; R334-D440 IonicContact NH1-OD1 2.71Å; R334-D440 PolarHBondContact NH1-OD1 2.69Å; R334-D440 IonicContact NH2-OD1 3.72Å; R334-D440 PolarHBondContact NH2-OD1 3.3Å; R334-F443 HydrophobicContact CB-CE1 4.39Å; R334-F443 HydrophobicContact CB-CE2 3.97Å; R334-F443 HydrophobicContact CB-CZ 3.79Å; R334-F443 HydrophobicContact CG-CD2 4.14Å; R334-F443 HydrophobicContact CG-CE1 4.36Å; R334-F443 HydrophobicContact CG-CE2 3.89Å; R334-F443 HydrophobicContact CG-CG 4.5Å; R334-F443 HydrophobicContact CG-CZ 4Å
335P62.1Low64.8Low117 Ų117110.5 Ų110.576%0.7653%0.533SS*.THydrogen-bonded Turntrans-59126.5174.722.8-30000109K333K333-P335 WeakPolarHBondContact O-CD 3.49Å
336G59.2Low63.2Low86 Ų86111 Ų11189%0.88754%0.535SS*.THydrogen-bonded Turntrans94.5-13.4176.500000117.7R334R334-G336 PolarHBondContact O-N 3.39Å
337R57.7Low61.8Low119 Ų119113.7 Ų113.745%0.44956%0.558SS.*  trans-125.5114.3176.7-71.8-172.6-178.8176.43.5112R334 F339 E436R334-R337 PolarHBondContact O-N 3.48Å; R337-F339 PolarHBondContact O-N 3.43Å; R337-E436 IonicContact NH2-OE1 3.4Å; R337-E436 IonicContact NH2-OE2 2.67Å
338K45.1Very low60.4Low211 Ų211120.8 Ų120.892%0.91759%0.588SS**  trans-74.5110.5170.9-70.6-175.3-179.61790109.6R340K338-R340 PolarHBondContact O-N 2.72Å; K338-R340 VanDerWaalsContact O-N 3.15Å
339F50.1Low59.1Low111 Ų111117.5 Ų117.549%0.48758%0.581SS.*  trans-63.7110.6168.7-111.4-94.8000109.7D324 R337D324-F339 HydrophobicContact CB-CE1 4.09Å; D324-F339 HydrophobicContact CB-CZ 3.74Å; D324-F339 VanDerWaalsContact OD1-CZ 3.29Å; D324-F339 WeakPolarHBondContact OD1-CZ 3.43Å; R337-F339 PolarHBondContact O-N 3.43Å
340R40.5Very low58Low187 Ų187117.5 Ų117.571%0.70658%0.58SS**  trans-111.9123.8168.7-152178.1-174.9-171.31.1105.9K338 S342 S343K338-R340 PolarHBondContact O-N 2.72Å; K338-R340 VanDerWaalsContact O-N 3.15Å; R340-S342 PolarHBondContact O-N 2.96Å; R340-S343 PolarHBondContact O-N 3.04Å
341S49.9Very low56.9Low128 Ų128124.2 Ų124.290%0.89561%0.606SS**THydrogen-bonded Turntrans-61.311.8-168.870.50000116.4
342S45.6Very low56Low55 Ų55120.5 Ų120.539%0.38559%0.589SS.*THydrogen-bonded Turntrans-94.916.917066.70000113.3R340 F344 R345 R346R340-S342 PolarHBondContact O-N 2.96Å; S342-F344 PolarHBondContact O-N 3.47Å; S342-R345 PolarHBondContact O-N 2.88Å; S342-R345 VanDerWaalsContact O-N 3.09Å; S342-R346 PolarHBondContact O-N 3.44Å; S342-R346 VanDerWaalsContact O-N 3.11Å
343S52.4Low55.1Low51 Ų51123.6 Ų123.636%0.35761%0.606SS.*Hα-helixtrans-57-33-171.642.30000113.5R340 R346 A347R340-S343 PolarHBondContact O-N 3.04Å; S343-R346 PolarHBondContact O-N 3.36Å; S343-A347 WeakPolarHBondContact O-CB 3.22Å; S343-A347 PolarHBondContact O-N 3.03Å
344F48.4Very low54.6Low179 Ų179119.3 Ų119.379%0.78559%0.589SS**Hα-helixtrans-67.1-38.3177.2-158.4-98000113.3S342S342-F344 PolarHBondContact O-N 3.47Å
345R49.8Very low54.3Low215 Ų215120.9 Ų120.981%0.81160%0.602SS**Hα-helixtrans-74.8-33.6176-69.9-172.8-173.3-174.12.5111.8S342 H349S342-R345 PolarHBondContact O-N 2.88Å; S342-R345 VanDerWaalsContact O-N 3.09Å; R345-H349 PolarHBondContact O-N 2.84Å
346R52.1Low54.1Low151 Ų151122.9 Ų122.957%0.5760%0.599SS**Hα-helixtrans-75-35.7-179.8-134.4178-157.9-177.61.5112.5S342 S343 K348 H349 I350S342-R346 PolarHBondContact O-N 3.44Å; S342-R346 VanDerWaalsContact O-N 3.11Å; S343-R346 PolarHBondContact O-N 3.36Å; R346-K348 VanDerWaalsContact C-N 3.33Å; R346-K348 PolarHBondContact O-N 2.85Å; R346-H349 PolarHBondContact O-N 3.1Å; R346-I350 HydrophobicContact CG-CD1 4.42Å; R346-I350 WeakPolarHBondContact O-CB 3.45Å; R346-I350 VanDerWaalsContact O-CG1 3.23Å; R346-I350 WeakPolarHBondContact O-CG1 3.34Å; R346-I350 PolarHBondContact O-N 2.72Å
347A54.9Low54.1Low61 Ų61123 Ų12350%0.50458%0.576SS.*Hα-helixtrans-60.9-42.7174.600000111.6S343 I350 Y351S343-A347 WeakPolarHBondContact O-CB 3.22Å; S343-A347 PolarHBondContact O-N 3.03Å; A347-I350 PolarHBondContact O-N 2.71Å; A347-Y351 WeakPolarHBondContact O-CB 3.48Å; A347-Y351 PolarHBondContact O-N 3.24Å
348K54Low54.2Low152 Ų152127 Ų12766%0.66159%0.592SS**Hα-helixtrans-63-43.7173.9-167.7173.3-177.4176.40112.1R346 I350 Y351 D352R346-K348 VanDerWaalsContact C-N 3.33Å; R346-K348 PolarHBondContact O-N 2.85Å; K348-I350 PolarHBondContact O-N 2.76Å; K348-Y351 PolarHBondContact O-N 3.34Å; K348-D352 PolarHBondContact O-N 3.41Å
349H55.3Low54.8Low121 Ų121120.5 Ų120.556%0.5657%0.572SS**Hα-helixtrans-70-30.6179.7-155.7-67.9000113.4R345 R346 L353R345-H349 PolarHBondContact O-N 2.84Å; R346-H349 PolarHBondContact O-N 3.1Å; H349-L353 WeakPolarHBondContact ND1-CD1 3.13Å; H349-L353 WeakPolarHBondContact O-CB 3.42Å; H349-L353 WeakPolarHBondContact O-CD1 3.44Å; H349-L353 WeakPolarHBondContact O-CG 3.44Å; H349-L353 PolarHBondContact O-N 3.01Å
350I60.7Low55.2Low87 Ų87117.8 Ų117.845%0.44657%0.567SS.*Hα-helixtrans-73.1-38.9174.1-70.6166.2000110.3R346 A347 K348 L353 Q354R346-I350 HydrophobicContact CG-CD1 4.42Å; R346-I350 WeakPolarHBondContact O-CB 3.45Å; R346-I350 VanDerWaalsContact O-CG1 3.23Å; R346-I350 WeakPolarHBondContact O-CG1 3.34Å; R346-I350 PolarHBondContact O-N 2.72Å; A347-I350 PolarHBondContact O-N 2.71Å; K348-I350 PolarHBondContact O-N 2.76Å; I350-L353 PolarHBondContact O-N 2.78Å; I350-Q354 WeakPolarHBondContact O-CB 3.15Å; I350-Q354 PolarHBondContact O-N 2.97Å
351Y60.2Low56.2Low153 Ų153114.5 Ų114.560%0.656%0.555SS**Hα-helixtrans-62.8-42.2173.8-170.6-93.6000112.1A347 K348 L353 Q354 T355A347-Y351 WeakPolarHBondContact O-CB 3.48Å; A347-Y351 PolarHBondContact O-N 3.24Å; K348-Y351 PolarHBondContact O-N 3.34Å; Y351-L353 VanDerWaalsContact C-N 3.33Å; Y351-L353 PolarHBondContact O-N 3.18Å; Y351-Q354 PolarHBondContact O-N 3.43Å; Y351-T355 HydrophobicContact CE1-CG2 4.19Å; Y351-T355 PolarHBondContact O-N 3.1Å; Y351-T355 PolarHBondContact O-OG1 2.76Å
352D60.9Low57Low88 Ų88111.4 Ų111.447%0.47153%0.533SS..Hα-helixtrans-66.4-33.4174.1-77.6-14000112.6K348 T355 K356K348-D352 PolarHBondContact O-N 3.41Å; D352-T355 VanDerWaalsContact CA-OG1 3.29Å; D352-T355 WeakPolarHBondContact CA-OG1 3.44Å; D352-T355 PolarHBondContact O-OG1 3.18Å; D352-K356 PolarHBondContact O-N 2.96Å
353L59.3Low58.1Low94 Ų94114 Ų11449%0.49254%0.542SS..Hα-helixtrans-72.3-42.9174.2-82162.6000111.9H349 I350 Y351 T355 K356 E357H349-L353 WeakPolarHBondContact ND1-CD1 3.13Å; H349-L353 WeakPolarHBondContact O-CB 3.42Å; H349-L353 WeakPolarHBondContact O-CD1 3.44Å; H349-L353 WeakPolarHBondContact O-CG 3.44Å; H349-L353 PolarHBondContact O-N 3.01Å; I350-L353 PolarHBondContact O-N 2.78Å; Y351-L353 VanDerWaalsContact C-N 3.33Å; Y351-L353 PolarHBondContact O-N 3.18Å; L353-T355 VanDerWaalsContact C-N 3.33Å; L353-T355 PolarHBondContact O-N 2.95Å; L353-K356 CarbonylContact O-C 3.58Å; L353-K356 PolarHBondContact O-N 3.21Å; L353-E357 WeakPolarHBondContact O-CB 3.32Å; L353-E357 PolarHBondContact O-N 3.36Å
354Q61.4Low58.6Low107 Ų107117.7 Ų117.750%0.556%0.555SS.*Hα-helixtrans-65.8-33.7177.3-82.6-176.7-53.200112.5I350 Y351 E357 R358I350-Q354 WeakPolarHBondContact O-CB 3.15Å; I350-Q354 PolarHBondContact O-N 2.97Å; Y351-Q354 PolarHBondContact O-N 3.43Å; Q354-E357 PolarHBondContact O-N 2.76Å; Q354-R358 WeakPolarHBondContact O-CB 3.21Å; Q354-R358 PolarHBondContact O-N 3.35Å
355T61.3Low59.4Low66 Ų66111.4 Ų111.441%0.40554%0.537SS..Hα-helixtrans-68.8-40.617341.60000111.7Y351 D352 L353 S359Y351-T355 HydrophobicContact CE1-CG2 4.19Å; Y351-T355 PolarHBondContact O-N 3.1Å; Y351-T355 PolarHBondContact O-OG1 2.76Å; D352-T355 VanDerWaalsContact CA-OG1 3.29Å; D352-T355 WeakPolarHBondContact CA-OG1 3.44Å; D352-T355 PolarHBondContact O-OG1 3.18Å; L353-T355 VanDerWaalsContact C-N 3.33Å; L353-T355 PolarHBondContact O-N 2.95Å; T355-S359 PolarHBondContact O-N 2.73Å; T355-S359 VanDerWaalsContact O-N 3.07Å
356K58.7Low60.4Low159 Ų159106.1 Ų106.169%0.69152%0.524SS*.Hα-helixtrans-64.4-35.8169.3-91-177.8174179.10113.2D352 L353 S359 S360D352-K356 PolarHBondContact O-N 2.96Å; L353-K356 CarbonylContact O-C 3.58Å; L353-K356 PolarHBondContact O-N 3.21Å; K356-S359 PolarHBondContact O-N 2.88Å; K356-S360 PolarHBondContact O-N 2.85Å; K356-S360 PolarHBondContact O-OG 2.95Å
357E58.7Low61.2Low87 Ų87102.4 Ų102.441%0.40752%0.518SS..Hα-helixtrans-71.9-37.5178.5-154.9-173.1154.400111.8L353 Q354 S360 R361L353-E357 WeakPolarHBondContact O-CB 3.32Å; L353-E357 PolarHBondContact O-N 3.36Å; Q354-E357 PolarHBondContact O-N 2.76Å; E357-S360 VanDerWaalsContact CA-OG 3.27Å; E357-S360 WeakPolarHBondContact CA-OG 3.4Å; E357-S360 PolarHBondContact O-N 3.34Å; E357-S360 PolarHBondContact O-OG 3.37Å; E357-R361 WeakPolarHBondContact O-CB 3.48Å; E357-R361 WeakPolarHBondContact O-CG 3.05Å; E357-R361 PolarHBondContact O-N 2.78Å; E357-R361 IonicContact OE1-CZ 3.27Å; E357-R361 IonicContact OE1-NH1 3.42Å; E357-R361 PolarHBondContact OE1-NH1 3.37Å; E357-R361 IonicContact OE1-NH2 3.09Å
358R58.7Low61.6Low205 Ų205102.6 Ų102.677%0.77451%0.511SS*.Hα-helixtrans-62.8-41.7170.1-93.2-177.6172.7162.9-0.8112.1Q354 R361 S362Q354-R358 WeakPolarHBondContact O-CB 3.21Å; Q354-R358 PolarHBondContact O-N 3.35Å; R358-R361 PolarHBondContact O-N 3.05Å; R358-S362 PolarHBondContact O-N 3.45Å
359S57.7Low62.2Low73 Ų7397.9 Ų97.951%0.5149%0.492SS..Hα-helixtrans-64.5-39.9175.51620000112.7T355 K356 S362 L363T355-S359 PolarHBondContact O-N 2.73Å; T355-S359 VanDerWaalsContact O-N 3.07Å; K356-S359 PolarHBondContact O-N 2.88Å; S359-S362 PolarHBondContact O-OG 2.92Å; S359-L363 WeakPolarHBondContact O-CB 2.98Å; S359-L363 PolarHBondContact O-N 2.95Å; S359-L363 VanDerWaalsContact O-N 3.11Å
360S58.9Low62.6Low54 Ų5499.1 Ų99.138%0.37850%0.496SS..Hα-helixtrans-74.3-34.3177.247.40000112.5K356 E357 L363 M364K356-S360 PolarHBondContact O-N 2.85Å; K356-S360 PolarHBondContact O-OG 2.95Å; E357-S360 VanDerWaalsContact CA-OG 3.27Å; E357-S360 WeakPolarHBondContact CA-OG 3.4Å; E357-S360 PolarHBondContact O-N 3.34Å; E357-S360 PolarHBondContact O-OG 3.37Å; S360-L363 PolarHBondContact O-N 2.85Å; S360-M364 WeakPolarHBondContact O-CB 3.28Å; S360-M364 WeakPolarHBondContact O-CG 3.08Å; S360-M364 PolarHBondContact O-N 2.83Å
361R61.7Low62.8Low118 Ų118100.8 Ų100.845%0.44550%0.502SS..Hα-helixtrans-64.1-42.9171.8-84-165.3163.996.85.4112.8E357 R358 L363 M364 A365E357-R361 WeakPolarHBondContact O-CB 3.48Å; E357-R361 WeakPolarHBondContact O-CG 3.05Å; E357-R361 PolarHBondContact O-N 2.78Å; E357-R361 IonicContact OE1-CZ 3.27Å; E357-R361 IonicContact OE1-NH1 3.42Å; E357-R361 PolarHBondContact OE1-NH1 3.37Å; E357-R361 IonicContact OE1-NH2 3.09Å; R358-R361 PolarHBondContact O-N 3.05Å; R361-L363 VanDerWaalsContact C-N 3.3Å; R361-L363 PolarHBondContact O-N 2.72Å; R361-M364 PolarHBondContact O-N 3.44Å; R361-A365 VanDerWaalsContact O-CB 3.28Å; R361-A365 WeakPolarHBondContact O-CB 3.16Å; R361-A365 PolarHBondContact O-N 2.84Å
362S65.6Low62.9Low63 Ų6398.8 Ų98.844%0.44150%0.499SS..Hα-helixtrans-65.9-36.7175.769.80000111.4R358 S359 N366R358-S362 PolarHBondContact O-N 3.45Å; S359-S362 PolarHBondContact O-OG 2.92Å; S362-N366 WeakPolarHBondContact O-CB 3.29Å; S362-N366 PolarHBondContact O-N 3.17Å; S362-N366 PolarHBondContact O-ND2 2.85Å
363L69.4Low63Low109 Ų109101.6 Ų101.657%0.57150%0.503SS*.Hα-helixtrans-66.4-44.9175.4-165128.2000111.9S359 S360 R361 N366 V367S359-L363 WeakPolarHBondContact O-CB 2.98Å; S359-L363 PolarHBondContact O-N 2.95Å; S359-L363 VanDerWaalsContact O-N 3.11Å; S360-L363 PolarHBondContact O-N 2.85Å; R361-L363 VanDerWaalsContact C-N 3.3Å; R361-L363 PolarHBondContact O-N 2.72Å; L363-N366 PolarHBondContact O-N 2.88Å; L363-V367 HydrophobicContact CD2-CG2 4.44Å; L363-V367 VanDerWaalsContact O-CG2 3.28Å; L363-V367 WeakPolarHBondContact O-CG2 3.47Å; L363-V367 PolarHBondContact O-N 2.82Å
364M64.3Low63.2Low129 Ų12999.5 Ų99.564%0.63550%0.498SS*.Hα-helixtrans-67.1-37.6176.1-74.8-162.8171.700112.8S360 R361 N366 V367 L368S360-M364 WeakPolarHBondContact O-CB 3.28Å; S360-M364 WeakPolarHBondContact O-CG 3.08Å; S360-M364 PolarHBondContact O-N 2.83Å; R361-M364 PolarHBondContact O-N 3.44Å; M364-N366 VanDerWaalsContact C-N 3.33Å; M364-V367 PolarHBondContact O-N 3.32Å; M364-L368 WeakPolarHBondContact O-CB 3.37Å; M364-L368 WeakPolarHBondContact O-CD1 3.35Å; M364-L368 VanDerWaalsContact O-CG 3.31Å; M364-L368 WeakPolarHBondContact O-CG 3.36Å; M364-L368 PolarHBondContact O-N 3.13Å
365A65.1Low63.1Low48 Ų4896.9 Ų96.940%0.39750%0.495SS..Hα-helixtrans-61.7-43.6172.800000111.1R361 L368 D369R361-A365 VanDerWaalsContact O-CB 3.28Å; R361-A365 WeakPolarHBondContact O-CB 3.16Å; R361-A365 PolarHBondContact O-N 2.84Å; A365-L368 PolarHBondContact O-N 3.41Å; A365-D369 WeakPolarHBondContact O-CB 2.97Å; A365-D369 PolarHBondContact O-N 3Å
366N69.1Low63.1Low104 Ų10497.9 Ų97.956%0.55650%0.497SS*.Hα-helixtrans-64.1-38.8175.2-73.1-14000112.3S362 L363 M364 F370S362-N366 WeakPolarHBondContact O-CB 3.29Å; S362-N366 PolarHBondContact O-N 3.17Å; S362-N366 PolarHBondContact O-ND2 2.85Å; L363-N366 PolarHBondContact O-N 2.88Å; M364-N366 VanDerWaalsContact C-N 3.33Å; N366-F370 WeakPolarHBondContact O-CB 3.16Å; N366-F370 PolarHBondContact O-N 3.45Å
367V68.6Low62.9Low72 Ų72100.2 Ų100.244%0.43650%0.502SS..Hα-helixtrans-65.4-43.7177.1170.20000111L363 M364 F370 E371L363-V367 HydrophobicContact CD2-CG2 4.44Å; L363-V367 VanDerWaalsContact O-CG2 3.28Å; L363-V367 WeakPolarHBondContact O-CG2 3.47Å; L363-V367 PolarHBondContact O-N 2.82Å; M364-V367 PolarHBondContact O-N 3.32Å; V367-F370 CarbonylContact O-C 3.44Å; V367-F370 WeakPolarHBondContact O-CA 3.37Å; V367-F370 WeakPolarHBondContact O-CB 3.44Å; V367-F370 PolarHBondContact O-N 3.35Å; V367-F370 VanDerWaalsContact O-N 3.14Å; V367-E371 PolarHBondContact O-N 3.31Å
368L64.7Low62.6Low66 Ų66105.4 Ų105.435%0.34652%0.523SS..Hα-helixtrans-68.5-39.2179.1-70.8158.7000112M364 A365 F370 E371 E372M364-L368 WeakPolarHBondContact O-CB 3.37Å; M364-L368 WeakPolarHBondContact O-CD1 3.35Å; M364-L368 VanDerWaalsContact O-CG 3.31Å; M364-L368 WeakPolarHBondContact O-CG 3.36Å; M364-L368 PolarHBondContact O-N 3.13Å; A365-L368 PolarHBondContact O-N 3.41Å; L368-F370 VanDerWaalsContact C-N 3.27Å; L368-F370 PolarHBondContact O-N 3.42Å; L368-E371 PolarHBondContact O-N 2.94Å; L368-E372 WeakPolarHBondContact O-CB 3.39Å; L368-E372 PolarHBondContact O-N 2.75Å
369D66.3Low62.3Low52 Ų52100.2 Ų100.228%0.27851%0.508SS..Hα-helixtrans-64.3-33.8170.5-178.538.3000111A365 R373A365-D369 WeakPolarHBondContact O-CB 2.97Å; A365-D369 PolarHBondContact O-N 3Å; D369-R373 VanDerWaalsContact O-CB 3.28Å; D369-R373 WeakPolarHBondContact O-CB 3.13Å; D369-R373 WeakPolarHBondContact O-CG 3.5Å; D369-R373 PolarHBondContact O-N 2.88Å; D369-R373 IonicContact OD1-CZ 2.72Å; D369-R373 IonicContact OD1-NE 3.55Å; D369-R373 PolarHBondContact OD1-NE 2.96Å; D369-R373 VanDerWaalsContact OD1-NE 3.09Å; D369-R373 IonicContact OD1-NH2 3.97Å; D369-R373 PolarHBondContact OD1-NH2 3.14Å; D369-R373 IonicContact OD2-CZ 2.97Å; D369-R373 IonicContact OD2-NE 3.42Å; D369-R373 PolarHBondContact OD2-NE 2.93Å; D369-R373 IonicContact OD2-NH1 2.76Å; D369-R373 PolarHBondContact OD2-NH1 2.91Å; D369-R373 IonicContact OD2-NH2 3.78Å; D369-R373 PolarHBondContact OD2-NH2 2.96Å
370F63.6Low61.3Low147 Ų14799.2 Ų99.265%0.64551%0.509SS*.Hα-helixtrans-68.6-39.3173.5-139.4-86.9000112.4N366 V367 L368 A374N366-F370 WeakPolarHBondContact O-CB 3.16Å; N366-F370 PolarHBondContact O-N 3.45Å; V367-F370 CarbonylContact O-C 3.44Å; V367-F370 WeakPolarHBondContact O-CA 3.37Å; V367-F370 WeakPolarHBondContact O-CB 3.44Å; V367-F370 PolarHBondContact O-N 3.35Å; V367-F370 VanDerWaalsContact O-N 3.14Å; L368-F370 VanDerWaalsContact C-N 3.27Å; L368-F370 PolarHBondContact O-N 3.42Å; F370-A374 WeakPolarHBondContact O-CB 3.19Å; F370-A374 PolarHBondContact O-N 3.08Å
371E64.4Low60.2Low122 Ų122104.7 Ų104.757%0.5753%0.534SS*.Hα-helixtrans-68.5-40.9175.5-75.1-176.116200111.7V367 L368 A374 A375V367-E371 PolarHBondContact O-N 3.31Å; L368-E371 PolarHBondContact O-N 2.94Å; E371-A374 PolarHBondContact O-N 2.93Å; E371-A375 WeakPolarHBondContact O-CB 3.42Å; E371-A375 PolarHBondContact O-N 3Å
372E62.7Low59.2Low112 Ų112103.8 Ų103.852%0.52354%0.543SS..Hα-helixtrans-61.3-46.8172.9-173.2173.3-173.400110.7L368 A374 A375 L376L368-E372 WeakPolarHBondContact O-CB 3.39Å; L368-E372 PolarHBondContact O-N 2.75Å; E372-A374 PolarHBondContact O-N 2.03Å; E372-A375 PolarHBondContact O-N 2.69Å; E372-L376 HydrophobicContact CG-CD1 4.27Å; E372-L376 WeakPolarHBondContact O-CG 3.27Å; E372-L376 PolarHBondContact O-N 2.7Å
373R63.8Low57.7Low147 Ų147108.7 Ų108.756%0.55556%0.564SS**Hα-helixtrans-65.4-35.4173.9-72.7174.7-168.7171.83.9112.5D369 L376 R377D369-R373 VanDerWaalsContact O-CB 3.28Å; D369-R373 WeakPolarHBondContact O-CB 3.13Å; D369-R373 WeakPolarHBondContact O-CG 3.5Å; D369-R373 PolarHBondContact O-N 2.88Å; D369-R373 IonicContact OD1-CZ 2.72Å; D369-R373 IonicContact OD1-NE 3.55Å; D369-R373 PolarHBondContact OD1-NE 2.96Å; D369-R373 VanDerWaalsContact OD1-NE 3.09Å; D369-R373 IonicContact OD1-NH2 3.97Å; D369-R373 PolarHBondContact OD1-NH2 3.14Å; D369-R373 IonicContact OD2-CZ 2.97Å; D369-R373 IonicContact OD2-NE 3.42Å; D369-R373 PolarHBondContact OD2-NE 2.93Å; D369-R373 IonicContact OD2-NH1 2.76Å; D369-R373 PolarHBondContact OD2-NH1 2.91Å; D369-R373 IonicContact OD2-NH2 3.78Å; D369-R373 PolarHBondContact OD2-NH2 2.96Å; R373-L376 PolarHBondContact O-N 3.35Å; R373-R377 WeakPolarHBondContact O-CB 3.36Å; R373-R377 PolarHBondContact O-N 2.96Å
374A62Low55.9Low49 Ų49112.6 Ų112.641%0.40558%0.58SS.*Hα-helixtrans-70.4-35.9177.500000111.9F370 E371 E372 R377 K378F370-A374 WeakPolarHBondContact O-CB 3.19Å; F370-A374 PolarHBondContact O-N 3.08Å; E371-A374 PolarHBondContact O-N 2.93Å; E372-A374 PolarHBondContact O-N 2.03Å; A374-R377 PolarHBondContact O-N 2.96Å; A374-K378 PolarHBondContact O-N 3.5Å
375A60.3Low54.9Low52 Ų52113.7 Ų113.743%0.4359%0.586SS.*Hα-helixtrans-63.2-44.9171.400000111E371 E372E371-A375 WeakPolarHBondContact O-CB 3.42Å; E371-A375 PolarHBondContact O-N 3Å; E372-A375 PolarHBondContact O-N 2.69Å
376L61.6Low53.4Low87 Ų87120.7 Ų120.746%0.45561%0.608SS.*Hα-helixtrans-68.4-34.6175.2-73.6161000113.1E372 R373 K378 E379E372-L376 HydrophobicContact CG-CD1 4.27Å; E372-L376 WeakPolarHBondContact O-CG 3.27Å; E372-L376 PolarHBondContact O-N 2.7Å; R373-L376 PolarHBondContact O-N 3.35Å; L376-K378 VanDerWaalsContact C-N 3.34Å; L376-K378 PolarHBondContact O-N 2.9Å; L376-E379 VanDerWaalsContact O-CB 3.31Å; L376-E379 WeakPolarHBondContact O-CB 3.32Å; L376-E379 PolarHBondContact O-N 3.12Å
377R54.6Low51.6Low208 Ų208123 Ų12379%0.78562%0.62SS**Hα-helixtrans-76.5-20.7-178-151.7176.3-156.6-178.84.8112.9R373 A374 E379 G380R373-R377 WeakPolarHBondContact O-CB 3.36Å; R373-R377 PolarHBondContact O-N 2.96Å; A374-R377 PolarHBondContact O-N 2.96Å; R377-E379 PolarHBondContact O-N 2.88Å; R377-G380 PolarHBondContact O-N 2.92Å
378K52.4Low50Low197 Ų197125.4 Ų125.486%0.85764%0.639SS**THydrogen-bonded Turntrans-70.2-9165.8-84.7-176.6175.91780113.1A374 L376A374-K378 PolarHBondContact O-N 3.5Å; L376-K378 VanDerWaalsContact C-N 3.34Å; L376-K378 PolarHBondContact O-N 2.9Å
379E50.7Low48.8Very low95 Ų95128 Ų12844%0.44466%0.661SS.*THydrogen-bonded Turntrans-93.71.5175-58-171.4139.500113.9L376 R377 R408L376-E379 VanDerWaalsContact O-CB 3.31Å; L376-E379 WeakPolarHBondContact O-CB 3.32Å; L376-E379 PolarHBondContact O-N 3.12Å; R377-E379 PolarHBondContact O-N 2.88Å; E379-R408 IonicContact OE1-CZ 3.64Å; E379-R408 IonicContact OE1-NE 3.84Å; E379-R408 IonicContact OE1-NH2 2.67Å; E379-R408 PolarHBondContact OE1-NH2 3.15Å
380G37.7Very low47.4Very low53 Ų53133 Ų13355%0.54669%0.687SS.*  trans-127.5111-177.100000114.6R377R377-G380 PolarHBondContact O-N 2.92Å
381L36.2Very low46.1Very low169 Ų169134.1 Ų134.189%0.88569%0.691SS**SBendtrans104.6134.2156.4-150.973.4000117.3
382P39.6Very low44.8Very low99 Ų99135.4 Ų135.464%0.64370%0.702SS**  cis-132.6145.9-27.132.8-15.6000114
383N33.9Very low43.4Very low166 Ų166133.3 Ų133.389%0.88871%0.711SS**  trans-102.792.1162.2-88.9-8000110.4
384E32.5Very low42.2Very low191 Ų191134.6 Ų134.689%0.89372%0.723SS**  trans-99.179.2148.7-84.3-160.3149.800108.4
385I43.2Very low41Very low152 Ų152140.2 Ų140.278%0.77974%0.741SS**  trans-144.5101.2164-59.2-175.8000110
386K33.8Very low39.9Very low195 Ų195143 Ų14385%0.84876%0.757SS**  trans37.9125.3136.8-84175169.9174.50121.5
387D31.2Very low38.9Very low153 Ų153146.9 Ų146.982%0.81878%0.777SS**  trans10.8119.6130.1-80.8-26.5000117.5
388C35.8Very low38.6Very low121 Ų121141.6 Ų141.682%0.81877%0.765SS**  177.7115.1116.5-90.60000111.8
389C38.2Very low38.4Very low121 Ų121140 Ų14082%0.81876%0.762SS**  trans45.6106.5135.5-60.60000121
390L36.2Very low38.3Very low156 Ų156139.7 Ų139.782%0.81777%0.77SS**  17.9124.2119.2-87.4134.2000119.2
391K36.8Very low39Very low171 Ų171139.9 Ų139.974%0.74377%0.767SS**  trans100.9116.7140.6-72.2-174.4178-175.10120.1
392D38.3Very low39.8Very low149 Ų149138 Ų13880%0.79775%0.752SS**  trans79.7109.6136.3-58.9-23.6000120.1
393G33.5Very low40.4Very low69 Ų69139.6 Ų139.671%0.71175%0.748SS**  121.6104.9116.600000118
394H37.6Very low41.5Very low174 Ų174135.6 Ų135.681%0.80673%0.73SS**  trans72.9101.1152.2-78.1-91.9000118.9
395H36.7Very low42.6Very low167 Ų167134 Ų13477%0.77372%0.72SS**  97.696.174.3-105-76.9000111.8
396S37.4Very low43.1Very low110 Ų110132.2 Ų132.277%0.76971%0.712SS**  trans153.284.413652.70000110.7
397L39.6Very low44.3Very low168 Ų168128.2 Ų128.288%0.8870%0.696SS**  trans-175.746.8159.8-98153.3000110.6
398D48.4Very low45.5Very low98 Ų98127.6 Ų127.652%0.52468%0.682SS.*  trans-104.227.3-174.7-165.138000114.8K402D398-K402 IonicContact OD2-NZ 2.79Å; D398-K402 PolarHBondContact OD2-NZ 2.9Å
399M49.1Very low46.8Very low164 Ų164124.3 Ų124.381%0.80866%0.661SS**SBendtrans-102.7-28.7176.9-148.7165.779.600113K403M399-K403 WeakPolarHBondContact O-CB 3.41Å; M399-K403 PolarHBondContact O-N 2.72Å
400S49.3Very low48.1Very low87 Ų87122.6 Ų122.661%0.60865%0.647SS**Hα-helixtrans-77.1-38.7-178.1-163.80000112.8K403 T404S400-K403 PolarHBondContact O-N 2.84Å; S400-T404 PolarHBondContact O-N 3.06Å; S400-T404 PolarHBondContact O-OG1 2.88Å
401A52.8Low49.8Very low58 Ų58116.5 Ų116.548%0.47962%0.621SS.*Hα-helixtrans-70.1-39.8178.700000112.5K403 T404 F405A401-K403 VanDerWaalsContact C-N 3.33Å; A401-T404 WeakPolarHBondContact CA-OG1 3.32Å; A401-T404 PolarHBondContact O-N 2.8Å; A401-T404 PolarHBondContact O-OG1 2.75Å; A401-F405 WeakPolarHBondContact O-CB 3.36Å; A401-F405 PolarHBondContact O-N 2.76Å
402K52.2Low51.4Low130 Ų130114 Ų11457%0.56561%0.607SS**Hα-helixtrans-64-37.8171.5-84.9175.9176.61350112.1D398 F405 L406D398-K402 IonicContact OD2-NZ 2.79Å; D398-K402 PolarHBondContact OD2-NZ 2.9Å; K402-F405 PolarHBondContact O-N 3.09Å; K402-L406 WeakPolarHBondContact O-CB 3.3Å; K402-L406 PolarHBondContact O-N 2.89Å
403K52Low53.1Low131 Ų131113 Ų11357%0.5760%0.598SS**Hα-helixtrans-65-43.4177.2-166179.7-179.1-172.10111.9M399 S400 A401 L406 E407M399-K403 WeakPolarHBondContact O-CB 3.41Å; M399-K403 PolarHBondContact O-N 2.72Å; S400-K403 PolarHBondContact O-N 2.84Å; A401-K403 VanDerWaalsContact C-N 3.33Å; K403-L406 PolarHBondContact O-N 2.97Å; K403-E407 VanDerWaalsContact CE-OE1 3.26Å; K403-E407 WeakPolarHBondContact CE-OE1 3.33Å; K403-E407 VanDerWaalsContact O-CB 3.29Å; K403-E407 WeakPolarHBondContact O-CB 3.38Å; K403-E407 VanDerWaalsContact O-CG 3.25Å; K403-E407 WeakPolarHBondContact O-CG 3.49Å; K403-E407 PolarHBondContact O-N 2.81Å
404T56Low55.1Low82 Ų82115 Ų11550%0.50359%0.592SS.*Hα-helixtrans-69.3-36.3177.422.60000112.9S400 A401 R408S400-T404 PolarHBondContact O-N 3.06Å; S400-T404 PolarHBondContact O-OG1 2.88Å; A401-T404 WeakPolarHBondContact CA-OG1 3.32Å; A401-T404 PolarHBondContact O-N 2.8Å; A401-T404 PolarHBondContact O-OG1 2.75Å; T404-R408 VanDerWaalsContact O-CB 3.25Å; T404-R408 WeakPolarHBondContact O-CB 3.12Å; T404-R408 PolarHBondContact O-N 3.25Å
405F57.6Low56.9Low157 Ų157111.2 Ų111.269%0.68958%0.576SS**Hα-helixtrans-69.2-41.5173.7-174.9-97.4000112.2A401 K402 R408 S409A401-F405 WeakPolarHBondContact O-CB 3.36Å; A401-F405 PolarHBondContact O-N 2.76Å; K402-F405 PolarHBondContact O-N 3.09Å; F405-R408 PolarHBondContact O-N 3.04Å; F405-S409 WeakPolarHBondContact O-CB 3.48Å; F405-S409 PolarHBondContact O-N 2.92Å
406L53.3Low58.7Low116 Ų116106.5 Ų106.561%0.60756%0.562SS**Hα-helixtrans-64.5-45.1175.5-16483.4000110.9K402 K403 R408 S409 V410K402-L406 WeakPolarHBondContact O-CB 3.3Å; K402-L406 PolarHBondContact O-N 2.89Å; K403-L406 PolarHBondContact O-N 2.97Å; L406-R408 VanDerWaalsContact C-N 3.27Å; L406-R408 PolarHBondContact O-N 2.74Å; L406-S409 PolarHBondContact O-N 2.88Å; L406-V410 WeakPolarHBondContact O-CB 3.41Å; L406-V410 WeakPolarHBondContact O-CG2 3.4Å; L406-V410 PolarHBondContact O-N 3.14Å
407E57.9Low60.7Low111 Ų111105.7 Ų105.752%0.51955%0.548SS..Hα-helixtrans-59.8-37.5174.3-78.4173-178.600111.8K403 G411K403-E407 VanDerWaalsContact CE-OE1 3.26Å; K403-E407 WeakPolarHBondContact CE-OE1 3.33Å; K403-E407 VanDerWaalsContact O-CB 3.29Å; K403-E407 WeakPolarHBondContact O-CB 3.38Å; K403-E407 VanDerWaalsContact O-CG 3.25Å; K403-E407 WeakPolarHBondContact O-CG 3.49Å; K403-E407 PolarHBondContact O-N 2.81Å; E407-G411 PolarHBondContact O-N 2.91Å
408R56.5Low62.6Low139 Ų139102.2 Ų102.253%0.52553%0.53SS..Hα-helixtrans-70.3-44.4176.6-161.2169.9-175.7168.7-1.1111.7E379 T404 F405 L406 G411 W412E379-R408 IonicContact OE1-CZ 3.64Å; E379-R408 IonicContact OE1-NE 3.84Å; E379-R408 IonicContact OE1-NH2 2.67Å; E379-R408 PolarHBondContact OE1-NH2 3.15Å; T404-R408 VanDerWaalsContact O-CB 3.25Å; T404-R408 WeakPolarHBondContact O-CB 3.12Å; T404-R408 PolarHBondContact O-N 3.25Å; F405-R408 PolarHBondContact O-N 3.04Å; L406-R408 VanDerWaalsContact C-N 3.27Å; L406-R408 PolarHBondContact O-N 2.74Å; R408-G411 PolarHBondContact O-N 2.93Å; R408-W412 PolarHBondContact O-N 3.11Å; R408-W412 VanDerWaalsContact O-N 3.15Å
409S63.6Low64.1Low53 Ų53104.7 Ų104.737%0.37154%0.536SS..Hα-helixtrans-62-43.2175.4-166.40000112F405 L406 G411 W412 E413F405-S409 WeakPolarHBondContact O-CB 3.48Å; F405-S409 PolarHBondContact O-N 2.92Å; L406-S409 PolarHBondContact O-N 2.88Å; S409-G411 VanDerWaalsContact C-N 3.29Å; S409-G411 PolarHBondContact O-N 2.82Å; S409-W412 PolarHBondContact O-N 2.96Å; S409-E413 PolarHBondContact O-N 3.43Å; S409-E413 VanDerWaalsContact O-N 3.12Å
410V66.2Low65.7Low85 Ų85102 Ų10252%0.51552%0.522SS..Hα-helixtrans-64.3-35.9175.6172.60000111L406 L414L406-V410 WeakPolarHBondContact O-CB 3.41Å; L406-V410 WeakPolarHBondContact O-CG2 3.4Å; L406-V410 PolarHBondContact O-N 3.14Å; V410-L414 VanDerWaalsContact O-CB 3.29Å; V410-L414 WeakPolarHBondContact O-CB 3.39Å; V410-L414 PolarHBondContact O-N 2.87Å
411G70.8Confident67.1Low28 Ų28102.4 Ų102.429%0.28952%0.516SS..Hα-helixtrans-61.2-44.3173.800000113.4E407 R408 S409 L414 I415E407-G411 PolarHBondContact O-N 2.91Å; R408-G411 PolarHBondContact O-N 2.93Å; S409-G411 VanDerWaalsContact C-N 3.29Å; S409-G411 PolarHBondContact O-N 2.82Å; G411-L414 PolarHBondContact O-N 2.84Å; G411-I415 WeakPolarHBondContact O-CD1 3.49Å; G411-I415 VanDerWaalsContact O-CG1 3.27Å; G411-I415 WeakPolarHBondContact O-CG1 3.21Å; G411-I415 PolarHBondContact O-N 3.14Å
412W71.2Confident68.6Low118 Ų118105 Ų10545%0.44751%0.514SS..Hα-helixtrans-67.8-42178-62.9112.9000112.8R408 S409 L414 I415 S416R408-W412 PolarHBondContact O-N 3.11Å; R408-W412 VanDerWaalsContact O-N 3.15Å; S409-W412 PolarHBondContact O-N 2.96Å; W412-L414 VanDerWaalsContact C-N 3.34Å; W412-L414 PolarHBondContact O-N 3.2Å; W412-I415 PolarHBondContact O-N 3.06Å; W412-S416 PolarHBondContact O-N 3.17Å
413E74.4Confident70.1Confident128 Ų128104.9 Ų104.960%0.59851%0.513SS*.Hα-helixtrans-63.4-40.5175.3-70.9-16017100111.7S409 I415 S416 I417S409-E413 PolarHBondContact O-N 3.43Å; S409-E413 VanDerWaalsContact O-N 3.12Å; E413-I415 PolarHBondContact O-N 3.09Å; E413-S416 PolarHBondContact O-N 3.47Å; E413-I417 VanDerWaalsContact O-CG1 3.26Å; E413-I417 WeakPolarHBondContact O-CG1 3.46Å; E413-I417 PolarHBondContact O-N 3.47Å
414L74.3Confident71.8Confident112 Ų112102 Ų10259%0.58650%0.504SS*.Hα-helixtrans-62.7-41.8176.6-174.166.2000112.4V410 G411 W412 I417 L418V410-L414 VanDerWaalsContact O-CB 3.29Å; V410-L414 WeakPolarHBondContact O-CB 3.39Å; V410-L414 PolarHBondContact O-N 2.87Å; G411-L414 PolarHBondContact O-N 2.84Å; W412-L414 VanDerWaalsContact C-N 3.34Å; W412-L414 PolarHBondContact O-N 3.2Å; L414-I417 PolarHBondContact O-N 3.28Å; L414-L418 WeakPolarHBondContact O-CB 3.47Å; L414-L418 PolarHBondContact O-N 2.85Å
415I75.2Confident73.3Confident93 Ų93101.7 Ų101.748%0.47750%0.504SS..Hα-helixtrans-64.5-41.7175.7-68163.1000110.6G411 W412 E413 L418 K419G411-I415 WeakPolarHBondContact O-CD1 3.49Å; G411-I415 VanDerWaalsContact O-CG1 3.27Å; G411-I415 WeakPolarHBondContact O-CG1 3.21Å; G411-I415 PolarHBondContact O-N 3.14Å; W412-I415 PolarHBondContact O-N 3.06Å; E413-I415 PolarHBondContact O-N 3.09Å; I415-L418 PolarHBondContact O-N 2.89Å; I415-K419 PolarHBondContact O-N 3.09Å
416S75Confident74.6Confident68 Ų6898.4 Ų98.448%0.47649%0.494SS..Hα-helixtrans-62.4-44.4176.1-166.70000111.9W412 E413 L418 K419 E420W412-S416 PolarHBondContact O-N 3.17Å; E413-S416 PolarHBondContact O-N 3.47Å; S416-L418 VanDerWaalsContact C-N 3.33Å; S416-L418 PolarHBondContact O-N 2.82Å; S416-K419 WeakPolarHBondContact O-CB 3.35Å; S416-K419 PolarHBondContact O-N 3.26Å; S416-E420 PolarHBondContact O-N 2.87Å
417I80.1Confident76.3Confident94 Ų9499.3 Ų99.348%0.48249%0.489SS..Hα-helixtrans-62.3-41176.1-68.1164.1000110.9E413 L414 K419 E420 L421E413-I417 VanDerWaalsContact O-CG1 3.26Å; E413-I417 WeakPolarHBondContact O-CG1 3.46Å; E413-I417 PolarHBondContact O-N 3.47Å; L414-I417 PolarHBondContact O-N 3.28Å; I417-K419 VanDerWaalsContact C-N 3.32Å; I417-K419 PolarHBondContact O-N 3.32Å; I417-E420 PolarHBondContact O-N 3.37Å; I417-L421 HydrophobicContact CG2-CD1 3.97Å; I417-L421 HydrophobicContact CG2-CG 4.42Å; I417-L421 WeakPolarHBondContact O-CB 3.3Å; I417-L421 WeakPolarHBondContact O-CG 3.44Å; I417-L421 PolarHBondContact O-N 2.65Å
418L79.2Confident77.7Confident95 Ų9597.9 Ų97.950%0.49748%0.484SS..Hα-helixtrans-65.2-36.5178.1-163.7149.9000111.7L414 I415 S416 R422L414-L418 WeakPolarHBondContact O-CB 3.47Å; L414-L418 PolarHBondContact O-N 2.85Å; I415-L418 PolarHBondContact O-N 2.89Å; S416-L418 VanDerWaalsContact C-N 3.33Å; S416-L418 PolarHBondContact O-N 2.82Å; L418-R422 WeakPolarHBondContact O-CB 3.31Å; L418-R422 PolarHBondContact O-N 3.25Å
419K79.2Confident79.2Confident149 Ų14995.5 Ų95.565%0.64848%0.475SS*.Hα-helixtrans-65.1-45.6174.1-173177.6179.8176.40112.1I415 S416 I417 R422 F423I415-K419 PolarHBondContact O-N 3.09Å; S416-K419 WeakPolarHBondContact O-CB 3.35Å; S416-K419 PolarHBondContact O-N 3.26Å; I417-K419 VanDerWaalsContact C-N 3.32Å; I417-K419 PolarHBondContact O-N 3.32Å; K419-R422 PolarHBondContact O-N 3.35Å; K419-F423 PolarHBondContact O-N 3.19Å
420E82.7Confident80.3Confident108 Ų10898.4 Ų98.451%0.50548%0.481SS..Hα-helixtrans-64-43.1175.4-71.5-60.1145.800111.9S416 I417 R422 F423 I424S416-E420 PolarHBondContact O-N 2.87Å; I417-E420 PolarHBondContact O-N 3.37Å; E420-R422 VanDerWaalsContact C-N 3.33Å; E420-R422 PolarHBondContact O-N 3.04Å; E420-F423 WeakPolarHBondContact O-CB 3.4Å; E420-F423 PolarHBondContact O-N 3.45Å; E420-I424 VanDerWaalsContact O-CG1 3.32Å; E420-I424 WeakPolarHBondContact O-CG1 3.11Å; E420-I424 PolarHBondContact O-N 2.97Å
421L79.9Confident81.3Confident95 Ų9598.2 Ų98.250%0.49747%0.474SS..Hα-helixtrans-62-39.8174.4-79.2171.5000112.2I417 I424 C425I417-L421 HydrophobicContact CG2-CD1 3.97Å; I417-L421 HydrophobicContact CG2-CG 4.42Å; I417-L421 WeakPolarHBondContact O-CB 3.3Å; I417-L421 WeakPolarHBondContact O-CG 3.44Å; I417-L421 PolarHBondContact O-N 2.65Å; L421-I424 PolarHBondContact O-N 2.88Å; L421-C425 WeakPolarHBondContact O-CB 3.42Å; L421-C425 PolarHBondContact O-N 2.84Å; L421-C425 PolarHBondContact O-SG 2.82Å
422R82.6Confident82.2Confident114 Ų114101.5 Ų101.543%0.4349%0.486SS..Hα-helixtrans-62.1-45.3174.1-178.6178.8-71166.42.2110.8L418 K419 E420 I424 C425 D426L418-R422 WeakPolarHBondContact O-CB 3.31Å; L418-R422 PolarHBondContact O-N 3.25Å; K419-R422 PolarHBondContact O-N 3.35Å; E420-R422 VanDerWaalsContact C-N 3.33Å; E420-R422 PolarHBondContact O-N 3.04Å; R422-I424 PolarHBondContact O-N 2.66Å; R422-C425 PolarHBondContact O-N 3.47Å; R422-D426 WeakPolarHBondContact O-CB 3.21Å; R422-D426 PolarHBondContact O-N 2.84Å
423F85.6Confident82.9Confident126 Ų126100.4 Ų100.455%0.55349%0.485SS*.Hα-helixtrans-60.3-44177.1-179.9-99.1000112.2K419 E420 D426 R427K419-F423 PolarHBondContact O-N 3.19Å; E420-F423 WeakPolarHBondContact O-CB 3.4Å; E420-F423 PolarHBondContact O-N 3.45Å; F423-D426 PolarHBondContact O-N 2.97Å; F423-R427 WeakPolarHBondContact O-CB 3.14Å; F423-R427 PolarHBondContact O-N 3.08Å
424I87.4Confident83.4Confident71 Ų7197.3 Ų97.336%0.36447%0.471SS..Hα-helixtrans-63.3-47176-66.8165.7000110.9E420 L421 R422 D426 R427 I428E420-I424 VanDerWaalsContact O-CG1 3.32Å; E420-I424 WeakPolarHBondContact O-CG1 3.11Å; E420-I424 PolarHBondContact O-N 2.97Å; L421-I424 PolarHBondContact O-N 2.88Å; R422-I424 PolarHBondContact O-N 2.66Å; I424-D426 PolarHBondContact O-N 2.91Å; I424-R427 PolarHBondContact O-N 2.97Å; I424-I428 HydrophobicContact CG2-CD1 3.72Å; I424-I428 HydrophobicContact CG2-CG1 4.35Å; I424-I428 VanDerWaalsContact O-CG1 3.29Å; I424-I428 WeakPolarHBondContact O-CG1 3.45Å; I424-I428 PolarHBondContact O-N 2.72Å
425C86.4Confident84Confident76 Ų7697.9 Ų97.951%0.51447%0.47SS..Hα-helixtrans-61-42.2177.3-75.60000112.4L421 R422 R429L421-C425 WeakPolarHBondContact O-CB 3.42Å; L421-C425 PolarHBondContact O-N 2.84Å; L421-C425 PolarHBondContact O-SG 2.82Å; R422-C425 PolarHBondContact O-N 3.47Å; C425-R429 VanDerWaalsContact O-CB 3.29Å; C425-R429 WeakPolarHBondContact O-CB 3.48Å; C425-R429 PolarHBondContact O-N 3.19Å
426D85.4Confident84.6Confident87 Ų8798.5 Ų98.547%0.46547%0.471SS..Hα-helixtrans-67.4-36.5177.4-74.1-23.9000111.4R422 F423 I424 K430R422-D426 WeakPolarHBondContact O-CB 3.21Å; R422-D426 PolarHBondContact O-N 2.84Å; F423-D426 PolarHBondContact O-N 2.97Å; I424-D426 PolarHBondContact O-N 2.91Å; D426-K430 WeakPolarHBondContact O-CB 3.47Å; D426-K430 PolarHBondContact O-N 2.9Å
427R89.6Confident85.1Confident136 Ų13697.8 Ų97.851%0.51346%0.464SS..Hα-helixtrans-67.2-48.4174.5-167.1179.777.1-173.4-1.8112.2F423 I424 R429 K430 E431F423-R427 WeakPolarHBondContact O-CB 3.14Å; F423-R427 PolarHBondContact O-N 3.08Å; I424-R427 PolarHBondContact O-N 2.97Å; R427-R429 PolarHBondContact O-N 2.64Å; R427-K430 PolarHBondContact O-N 2.89Å; R427-K430 VanDerWaalsContact O-N 3.11Å; R427-E431 IonicContact NE-OE1 2.94Å; R427-E431 PolarHBondContact NE-OE1 2.87Å; R427-E431 WeakPolarHBondContact O-CG 3.41Å; R427-E431 PolarHBondContact O-N 2.89Å
428I87.2Confident85.5Confident80 Ų8095.8 Ų95.841%0.4145%0.454SS..Hα-helixtrans-57.1-43.4175.7-69.5168.4000109.9I424 K430 E431 D432I424-I428 HydrophobicContact CG2-CD1 3.72Å; I424-I428 HydrophobicContact CG2-CG1 4.35Å; I424-I428 VanDerWaalsContact O-CG1 3.29Å; I424-I428 WeakPolarHBondContact O-CG1 3.45Å; I424-I428 PolarHBondContact O-N 2.72Å; I428-K430 PolarHBondContact O-N 2.9Å; I428-E431 PolarHBondContact O-N 2.83Å; I428-D432 WeakPolarHBondContact O-CB 3.42Å; I428-D432 VanDerWaalsContact O-CG 3.3Å; I428-D432 PolarHBondContact O-N 3.1Å
429R87.3Confident85.9Confident89 Ų8994.1 Ų94.134%0.33645%0.45SS..Hα-helixtrans-62.7-42.7176.9-178.6-173.7168.3159.69.1112.4C425 R427 D432 E433C425-R429 VanDerWaalsContact O-CB 3.29Å; C425-R429 WeakPolarHBondContact O-CB 3.48Å; C425-R429 PolarHBondContact O-N 3.19Å; R427-R429 PolarHBondContact O-N 2.64Å; R429-D432 PolarHBondContact O-N 3.11Å; R429-E433 IonicContact CZ-OE1 3.41Å; R429-E433 IonicContact NE-OE1 3.53Å; R429-E433 PolarHBondContact NE-OE1 3.19Å; R429-E433 IonicContact NH2-OE1 3.82Å; R429-E433 PolarHBondContact NH2-OE1 3.31Å; R429-E433 WeakPolarHBondContact O-CB 3.33Å; R429-E433 WeakPolarHBondContact O-CG 3.29Å; R429-E433 PolarHBondContact O-N 3.13Å
430K87.9Confident86.4Confident115 Ų11587.5 Ų87.550%0.542%0.421SS..Hα-helixtrans-65.1-41.8178-170.9176.5-177.2-78.10111D426 R427 I428 E433 E434D426-K430 WeakPolarHBondContact O-CB 3.47Å; D426-K430 PolarHBondContact O-N 2.9Å; R427-K430 PolarHBondContact O-N 2.89Å; R427-K430 VanDerWaalsContact O-N 3.11Å; I428-K430 PolarHBondContact O-N 2.9Å; K430-E433 PolarHBondContact O-N 2.87Å; K430-E434 IonicContact NZ-OE1 2.95Å; K430-E434 PolarHBondContact NZ-OE1 3.45Å; K430-E434 WeakPolarHBondContact O-CB 3.49Å; K430-E434 WeakPolarHBondContact O-CG 3.38Å; K430-E434 PolarHBondContact O-N 2.91Å
431E86.9Confident86.7Confident80 Ų8082.7 Ų82.737%0.37440%0.399SS..Hα-helixtrans-60-46172.8-72.7169.8-172.500110.9R427 I428 E433 E434 H435R427-E431 IonicContact NE-OE1 2.94Å; R427-E431 PolarHBondContact NE-OE1 2.87Å; R427-E431 WeakPolarHBondContact O-CG 3.41Å; R427-E431 PolarHBondContact O-N 2.89Å; I428-E431 PolarHBondContact O-N 2.83Å; E431-E433 PolarHBondContact O-N 2.88Å; E431-E434 PolarHBondContact O-N 2.63Å; E431-H435 WeakPolarHBondContact O-CB 3.28Å; E431-H435 PolarHBondContact O-CD2 2.89Å; E431-H435 PolarHBondContact O-N 2.95Å
432D88.5Confident87.2Confident98 Ų9881.7 Ų81.752%0.52439%0.39SS..Hα-helixtrans-61.1-44.8175.9-75.1-22.5000112I428 R429 E434 H435 E436I428-D432 WeakPolarHBondContact O-CB 3.42Å; I428-D432 VanDerWaalsContact O-CG 3.3Å; I428-D432 PolarHBondContact O-N 3.1Å; R429-D432 PolarHBondContact O-N 3.11Å; D432-E434 PolarHBondContact O-N 2.96Å; D432-H435 PolarHBondContact O-N 2.82Å; D432-E436 WeakPolarHBondContact O-CG 3.45Å; D432-E436 PolarHBondContact O-N 3.4Å
433E85.4Confident87.5Confident95 Ų9577.1 Ų77.144%0.44437%0.373SS..Hα-helixtrans-62.6-40.5176.8-74.9178.8-173.300111.6R429 K430 E431 E436 V437R429-E433 IonicContact CZ-OE1 3.41Å; R429-E433 IonicContact NE-OE1 3.53Å; R429-E433 PolarHBondContact NE-OE1 3.19Å; R429-E433 IonicContact NH2-OE1 3.82Å; R429-E433 PolarHBondContact NH2-OE1 3.31Å; R429-E433 WeakPolarHBondContact O-CB 3.33Å; R429-E433 WeakPolarHBondContact O-CG 3.29Å; R429-E433 PolarHBondContact O-N 3.13Å; K430-E433 PolarHBondContact O-N 2.87Å; E431-E433 PolarHBondContact O-N 2.88Å; E433-E436 PolarHBondContact O-N 3.44Å; E433-V437 WeakPolarHBondContact O-CG2 3.2Å; E433-V437 PolarHBondContact O-N 2.81Å; E433-V437 VanDerWaalsContact O-N 3.15Å
434E86.5Confident87.7Confident62 Ų6271.1 Ų71.129%0.2935%0.347SS..Hα-helixtrans-66.6-42.3174.9-74.8170.8-166.900111.9K430 E431 D432 E436 V437 I438K430-E434 IonicContact NZ-OE1 2.95Å; K430-E434 PolarHBondContact NZ-OE1 3.45Å; K430-E434 WeakPolarHBondContact O-CB 3.49Å; K430-E434 WeakPolarHBondContact O-CG 3.38Å; K430-E434 PolarHBondContact O-N 2.91Å; E431-E434 PolarHBondContact O-N 2.63Å; D432-E434 PolarHBondContact O-N 2.96Å; E434-E436 VanDerWaalsContact C-N 3.33Å; E434-E436 PolarHBondContact O-N 2.83Å; E434-V437 PolarHBondContact O-N 3.12Å; E434-I438 WeakPolarHBondContact O-CG1 3.41Å; E434-I438 PolarHBondContact O-N 2.71Å
435H86.8Confident87.8Confident125 Ų12567.7 Ų67.758%0.57933%0.33SS*.Hα-helixtrans-61.8-38.8174.3-80.7-61000112.2E431 D432 I438 S439E431-H435 WeakPolarHBondContact O-CB 3.28Å; E431-H435 PolarHBondContact O-CD2 2.89Å; E431-H435 PolarHBondContact O-N 2.95Å; D432-H435 PolarHBondContact O-N 2.82Å; H435-I438 PolarHBondContact O-N 2.65Å; H435-S439 VanDerWaalsContact O-CB 3.28Å; H435-S439 WeakPolarHBondContact O-CB 3.43Å; H435-S439 PolarHBondContact O-N 3.07Å
436E86.5Confident87.9Confident106 Ų10669.3 Ų69.350%0.49533%0.331SS..Hα-helixtrans-62.7-42174.1-74.9-156.3155.900112R337 D432 E433 E434 S439 D440R337-E436 IonicContact NH2-OE1 3.4Å; R337-E436 IonicContact NH2-OE2 2.67Å; D432-E436 WeakPolarHBondContact O-CG 3.45Å; D432-E436 PolarHBondContact O-N 3.4Å; E433-E436 PolarHBondContact O-N 3.44Å; E434-E436 VanDerWaalsContact C-N 3.33Å; E434-E436 PolarHBondContact O-N 2.83Å; E436-S439 WeakPolarHBondContact O-CB 3.38Å; E436-S439 PolarHBondContact O-N 2.79Å; E436-D440 PolarHBondContact O-N 3.38Å
437V87Confident88.2Confident52 Ų5265.2 Ų65.232%0.31531%0.309SS..Hα-helixtrans-66.9-42.9178.6174.50000111.3E433 E434 S439 D440 W441E433-V437 WeakPolarHBondContact O-CG2 3.2Å; E433-V437 PolarHBondContact O-N 2.81Å; E433-V437 VanDerWaalsContact O-N 3.15Å; E434-V437 PolarHBondContact O-N 3.12Å; V437-S439 VanDerWaalsContact C-N 3.31Å; V437-S439 PolarHBondContact O-N 3.04Å; V437-D440 WeakPolarHBondContact O-CB 3.35Å; V437-D440 PolarHBondContact O-N 3.45Å; V437-W441 PolarHBondContact O-N 2.8Å; V437-W441 VanDerWaalsContact O-N 3.07Å
438I87.6Confident88.2Confident53 Ų5360 Ų6027%0.27229%0.291SS..Hα-helixtrans-62.6-42.1174.7-66.1165.9000110E434 H435 D440 W441 K442E434-I438 WeakPolarHBondContact O-CG1 3.41Å; E434-I438 PolarHBondContact O-N 2.71Å; H435-I438 PolarHBondContact O-N 2.65Å; I438-D440 VanDerWaalsContact C-N 3.34Å; I438-D440 PolarHBondContact O-N 3.2Å; I438-W441 PolarHBondContact O-N 3.11Å; I438-K442 HydrophobicContact CG2-CD 4.37Å; I438-K442 HydrophobicContact CG2-CG 4.28Å; I438-K442 WeakPolarHBondContact O-CG 3.47Å; I438-K442 PolarHBondContact O-N 3.38Å
439S87.6Confident88.4Confident59 Ų5956.7 Ų56.741%0.41327%0.274SS..Hα-helixtrans-60.9-40.4175.2-176.30000112.5H435 E436 V437 F443H435-S439 VanDerWaalsContact O-CB 3.28Å; H435-S439 WeakPolarHBondContact O-CB 3.43Å; H435-S439 PolarHBondContact O-N 3.07Å; E436-S439 WeakPolarHBondContact O-CB 3.38Å; E436-S439 PolarHBondContact O-N 2.79Å; V437-S439 VanDerWaalsContact C-N 3.31Å; V437-S439 PolarHBondContact O-N 3.04Å; S439-F443 VanDerWaalsContact O-CB 3.27Å; S439-F443 WeakPolarHBondContact O-CB 3.37Å; S439-F443 PolarHBondContact O-N 3.47Å
440D88.9Confident88.5Confident11 Ų1157.3 Ų57.36%0.05928%0.276CS..Hα-helixtrans-59.9-47.7174.1-85.3-3.1000110.8R319 L323 R334 E436 V437 I438 F443 A444R319-D440 IonicContact CZ-OD2 2.76Å; R319-D440 IonicContact NE-OD2 3.45Å; R319-D440 IonicContact NH2-OD2 2.69Å; R319-D440 PolarHBondContact NH2-OD2 3.41Å; L323-D440 HydrophobicContact CD1-CB 4.02Å; L323-D440 WeakPolarHBondContact CD2-O 3.22Å; R334-D440 IonicContact CZ-OD1 3.52Å; R334-D440 IonicContact NH1-OD1 2.71Å; R334-D440 PolarHBondContact NH1-OD1 2.69Å; R334-D440 IonicContact NH2-OD1 3.72Å; R334-D440 PolarHBondContact NH2-OD1 3.3Å; E436-D440 PolarHBondContact O-N 3.38Å; V437-D440 WeakPolarHBondContact O-CB 3.35Å; V437-D440 PolarHBondContact O-N 3.45Å; I438-D440 VanDerWaalsContact C-N 3.34Å; I438-D440 PolarHBondContact O-N 3.2Å; D440-F443 PolarHBondContact O-N 3.16Å; D440-A444 WeakPolarHBondContact O-CB 3.48Å; D440-A444 PolarHBondContact O-N 3.32Å
441W89.8Confident88.7Confident6 Ų654.6 Ų54.62%0.02327%0.267CS..Hα-helixtrans-65.9-44.1178.1-78.6114.8000113.3F304 R307 H312 M314 V437 I438 F443 A444 A445F304-W441 AromaticContact CD1-CE3 3.93Å; F304-W441 HydrophobicContact CD1-CE3 3.93Å; F304-W441 HydrophobicContact CD1-CH2 4.42Å; F304-W441 AromaticContact CD1-CZ3 3.44Å; F304-W441 HydrophobicContact CD1-CZ3 3.44Å; F304-W441 VanDerWaalsContact CD1-CZ3 3.44Å; F304-W441 AromaticContact CE1-CZ3 3.82Å; F304-W441 HydrophobicContact CE1-CZ3 3.82Å; R307-W441 HydrophobicContact CB-CD2 3.84Å; R307-W441 HydrophobicContact CB-CE3 4.31Å; R307-W441 HydrophobicContact CB-CG 3.98Å; H312-W441 HydrophobicContact CB-CZ2 4.06Å; M314-W441 HydrophobicContact CB-CH2 4.39Å; M314-W441 HydrophobicContact CB-CZ2 3.92Å; M314-W441 HydrophobicContact CG-CH2 4.27Å; M314-W441 HydrophobicContact CG-CZ2 4.27Å; V437-W441 PolarHBondContact O-N 2.8Å; V437-W441 VanDerWaalsContact O-N 3.07Å; I438-W441 PolarHBondContact O-N 3.11Å; W441-F443 VanDerWaalsContact C-N 3.33Å; W441-F443 PolarHBondContact O-N 3.26Å; W441-A444 WeakPolarHBondContact O-CB 3.22Å; W441-A444 PolarHBondContact O-N 2.82Å; W441-A445 PolarHBondContact O-N 3.1Å
442K89.9Confident88.8Confident74 Ų7451.2 Ų51.232%0.32225%0.253SS..Hα-helixtrans-61-41.8175.9-71.6-162.5173.6-151.10111.8D244 H305 I438 A445 M446D244-K442 IonicContact OD1-NZ 3.47Å; D244-K442 PolarHBondContact OD1-NZ 2.82Å; D244-K442 IonicContact OD2-NZ 3.21Å; H305-K442 WeakPolarHBondContact NE2-CE 3.4Å; I438-K442 HydrophobicContact CG2-CD 4.37Å; I438-K442 HydrophobicContact CG2-CG 4.28Å; I438-K442 WeakPolarHBondContact O-CG 3.47Å; I438-K442 PolarHBondContact O-N 3.38Å; K442-A445 PolarHBondContact O-N 3.41Å; K442-M446 WeakPolarHBondContact O-CB 3.14Å; K442-M446 PolarHBondContact O-N 3.35Å
443F89.4Confident89Confident18 Ų1848.7 Ų48.78%0.07924%0.239CC..Hα-helixtrans-67.6-39.5176.7-175.2-99.3000112L323 P327 R334 S439 D440 W441 M446 A447L323-F443 HydrophobicContact CD2-CD1 3.67Å; L323-F443 HydrophobicContact CD2-CE1 4.45Å; P327-F443 HydrophobicContact CB-CE1 4.14Å; P327-F443 HydrophobicContact CB-CZ 4.1Å; P327-F443 HydrophobicContact CG-CE1 3.58Å; P327-F443 HydrophobicContact CG-CZ 4.02Å; R334-F443 HydrophobicContact CB-CE1 4.39Å; R334-F443 HydrophobicContact CB-CE2 3.97Å; R334-F443 HydrophobicContact CB-CZ 3.79Å; R334-F443 HydrophobicContact CG-CD2 4.14Å; R334-F443 HydrophobicContact CG-CE1 4.36Å; R334-F443 HydrophobicContact CG-CE2 3.89Å; R334-F443 HydrophobicContact CG-CG 4.5Å; R334-F443 HydrophobicContact CG-CZ 4Å; S439-F443 VanDerWaalsContact O-CB 3.27Å; S439-F443 WeakPolarHBondContact O-CB 3.37Å; S439-F443 PolarHBondContact O-N 3.47Å; D440-F443 PolarHBondContact O-N 3.16Å; W441-F443 VanDerWaalsContact C-N 3.33Å; W441-F443 PolarHBondContact O-N 3.26Å; F443-M446 PolarHBondContact O-N 2.78Å; F443-A447 WeakPolarHBondContact O-CB 3.26Å; F443-A447 PolarHBondContact O-N 3.11Å
444A89.5Confident89.2Confident0 Ų047.6 Ų47.60%024%0.235CC..Hα-helixtrans-61-44.3173.900000111.8M314 L322 L323 D440 W441 A447 I448M314-A444 HydrophobicContact CE-CB 4.06Å; L322-A444 HydrophobicContact CB-CB 3.91Å; L322-A444 HydrophobicContact CD1-CB 3.96Å; L323-A444 HydrophobicContact CD2-CB 4.13Å; D440-A444 WeakPolarHBondContact O-CB 3.48Å; D440-A444 PolarHBondContact O-N 3.32Å; W441-A444 WeakPolarHBondContact O-CB 3.22Å; W441-A444 PolarHBondContact O-N 2.82Å; A444-A447 PolarHBondContact O-N 3.17Å; A444-I448 WeakPolarHBondContact O-CG1 3.43Å; A444-I448 PolarHBondContact O-N 2.93Å
445A90.3Very high89.4Confident0 Ų048.1 Ų48.10%024%0.243CC..Hα-helixtrans-60.2-45.2174.900000111.7V301 F304 H305 W441 K442 A447 I448 D449V301-A445 HydrophobicContact CG1-CB 4.16Å; F304-A445 HydrophobicContact CB-CB 4.27Å; H305-A445 HydrophobicContact CB-CB 3.97Å; W441-A445 PolarHBondContact O-N 3.1Å; K442-A445 PolarHBondContact O-N 3.41Å; A445-A447 VanDerWaalsContact C-N 3.34Å; A445-A447 PolarHBondContact O-N 3.45Å; A445-I448 PolarHBondContact O-N 3.14Å; A445-D449 WeakPolarHBondContact O-CB 3.45Å; A445-D449 PolarHBondContact O-N 2.6Å
446M89Confident89.7Confident110 Ų11043.1 Ų43.154%0.54222%0.219SC..Hα-helixtrans-62.7-36.8176-173-174.1-68.400112.9M332 K442 F443 R450M332-M446 HydrophobicContact CE-CG 3.84Å; M332-M446 HydrophobicContact CE-SD 4.19Å; K442-M446 WeakPolarHBondContact O-CB 3.14Å; K442-M446 PolarHBondContact O-N 3.35Å; F443-M446 PolarHBondContact O-N 2.78Å; M446-R450 PolarHBondContact O-N 3.38Å
447A89.7Confident89.9Confident0 Ų040 Ų400%021%0.207CC..Hα-helixtrans-68-40.3176.500000111.9L326 P327 L330 M332 F443 A444 A445 L451L326-A447 HydrophobicContact CD2-CB 3.76Å; L326-A447 HydrophobicContact CG-CB 4.23Å; P327-A447 HydrophobicContact CG-CB 4.39Å; L330-A447 WeakPolarHBondContact CD1-O 3.34Å; M332-A447 HydrophobicContact SD-CB 4.29Å; F443-A447 WeakPolarHBondContact O-CB 3.26Å; F443-A447 PolarHBondContact O-N 3.11Å; A444-A447 PolarHBondContact O-N 3.17Å; A445-A447 VanDerWaalsContact C-N 3.34Å; A445-A447 PolarHBondContact O-N 3.45Å; A447-L451 PolarHBondContact O-N 3.3Å
448I90.3Very high90Very high26 Ų2641.6 Ų41.613%0.13322%0.217CC..Hα-helixtrans-63.4-46.9173.7-65.1167.3000110.2V301 F304 L322 L326 A444 A445 R450 L451 C452V301-I448 HydrophobicContact CG2-CB 4.19Å; V301-I448 HydrophobicContact CG2-CG2 3.67Å; F304-I448 HydrophobicContact CD2-CD1 3.86Å; F304-I448 HydrophobicContact CE2-CD1 4.08Å; L322-I448 HydrophobicContact CD1-CD1 4.15Å; L322-I448 HydrophobicContact CD2-CD1 3.87Å; L322-I448 HydrophobicContact CD2-CG1 3.73Å; L326-I448 HydrophobicContact CD2-CG1 4.33Å; A444-I448 WeakPolarHBondContact O-CG1 3.43Å; A444-I448 PolarHBondContact O-N 2.93Å; A445-I448 PolarHBondContact O-N 3.14Å; I448-R450 VanDerWaalsContact C-N 3.31Å; I448-R450 PolarHBondContact O-N 2.78Å; I448-L451 WeakPolarHBondContact O-CB 3.35Å; I448-L451 PolarHBondContact O-N 3.01Å; I448-L451 VanDerWaalsContact O-N 3.1Å; I448-C452 PolarHBondContact O-N 2.9Å; I448-C452 PolarHBondContact O-SG 2.81Å
449D91.4Very high90.2Very high11 Ų1143.5 Ų43.56%0.05922%0.224CC..Hα-helixtrans-56.9-44.8179.3-156.133.2000111.5F239 K248 V301 A445 C452 L453F239-D449 WeakPolarHBondContact CD1-OD1 3.35Å; K248-D449 WeakPolarHBondContact CE-OD1 3.45Å; K248-D449 IonicContact NZ-OD1 3.69Å; K248-D449 PolarHBondContact NZ-OD1 3.24Å; K248-D449 IonicContact NZ-OD2 3.07Å; K248-D449 PolarHBondContact NZ-OD2 3.41Å; V301-D449 HydrophobicContact CG1-CB 4.29Å; A445-D449 WeakPolarHBondContact O-CB 3.45Å; A445-D449 PolarHBondContact O-N 2.6Å; D449-C452 WeakPolarHBondContact O-CB 3.26Å; D449-C452 PolarHBondContact O-N 3.37Å; D449-L453 PolarHBondContact O-N 2.98Å
450R89.7Confident90.3Very high102 Ų10240.9 Ų40.939%0.38521%0.205SC..Hα-helixtrans-69.3-33.3176.2-174.7169.7173.8170-9.4113.4L330 M332 M446 I448 L453 I454L330-R450 HydrophobicContact CD1-CB 4.21Å; L330-R450 HydrophobicContact CD1-CG 4.33Å; L330-R450 PolarHBondContact O-NH2 2.91Å; M332-R450 HydrophobicContact CE-CB 3.77Å; M332-R450 HydrophobicContact CE-CG 4.15Å; M332-R450 VanDerWaalsContact CG-NH1 3.27Å; M332-R450 HydrophobicContact SD-CB 4.22Å; M332-R450 VanDerWaalsContact SD-CD 3.57Å; M332-R450 HydrophobicContact SD-CG 4.45Å; M446-R450 PolarHBondContact O-N 3.38Å; I448-R450 VanDerWaalsContact C-N 3.31Å; I448-R450 PolarHBondContact O-N 2.78Å; R450-L453 PolarHBondContact O-N 2.78Å; R450-I454 WeakPolarHBondContact O-CG1 3.38Å; R450-I454 PolarHBondContact O-N 3.31Å; R450-I454 VanDerWaalsContact O-N 3.13Å
451L91.1Very high90.2Very high58 Ų5843.6 Ų43.630%0.30422%0.222SC..Hα-helixtrans-61.6-49.6171.7-179.866.8000110.3L326 L330 A447 I448 L453 I454 V455L326-L451 HydrophobicContact CD1-CB 4.11Å; L326-L451 HydrophobicContact CD1-CD1 3.96Å; L326-L451 HydrophobicContact CD1-CD2 3.8Å; L326-L451 HydrophobicContact CD1-CG 4.16Å; L330-L451 HydrophobicContact CD1-CB 4.12Å; L330-L451 HydrophobicContact CD2-CB 4.39Å; L330-L451 HydrophobicContact CD2-CD1 4.06Å; A447-L451 PolarHBondContact O-N 3.3Å; I448-L451 WeakPolarHBondContact O-CB 3.35Å; I448-L451 PolarHBondContact O-N 3.01Å; I448-L451 VanDerWaalsContact O-N 3.1Å; L451-L453 VanDerWaalsContact C-N 3.3Å; L451-L453 PolarHBondContact O-N 3.4Å; L451-I454 PolarHBondContact O-N 3.28Å; L451-V455 HydrophobicContact CD1-CG2 4.26Å; L451-V455 HydrophobicContact CG-CG2 4.36Å; L451-V455 WeakPolarHBondContact O-CG2 3.44Å; L451-V455 PolarHBondContact O-N 3Å
452C90.9Very high90.1Very high10 Ų1045.2 Ų45.27%0.06824%0.241CC..Hα-helixtrans-57.8-44.4177.7-66.20000111F239 I448 D449 I454 V455 F456F239-C452 HydrophobicContact CD1-CB 3.69Å; F239-C452 HydrophobicContact CE1-CB 3.51Å; F239-C452 HydrophobicContact CG-CB 4.44Å; F239-C452 HydrophobicContact CZ-CB 4.1Å; I448-C452 PolarHBondContact O-N 2.9Å; I448-C452 PolarHBondContact O-SG 2.81Å; D449-C452 WeakPolarHBondContact O-CB 3.26Å; D449-C452 PolarHBondContact O-N 3.37Å; C452-I454 PolarHBondContact O-N 3.42Å; C452-V455 PolarHBondContact O-N 3.09Å; C452-F456 HydrophobicContact CB-CD2 4.07Å; C452-F456 HydrophobicContact CB-CE2 4.02Å; C452-F456 WeakPolarHBondContact O-CB 3.26Å; C452-F456 WeakPolarHBondContact O-CD2 3.42Å; C452-F456 WeakPolarHBondContact O-CG 3.42Å; C452-F456 PolarHBondContact O-N 2.98Å
453L91.3Very high89.9Confident45 Ų4542.8 Ų42.824%0.23623%0.232CC..Hα-helixtrans-54.1-49.9174.8-171.1154.9000111.8F239 S240 D449 R450 L451 T457F239-L453 HydrophobicContact CB-CB 3.76Å; F239-L453 HydrophobicContact CB-CD1 4.08Å; F239-L453 HydrophobicContact CB-CG 4.17Å; F239-L453 HydrophobicContact CG-CB 4.42Å; S240-L453 WeakPolarHBondContact OG-CD1 3.49Å; D449-L453 PolarHBondContact O-N 2.98Å; R450-L453 PolarHBondContact O-N 2.78Å; L451-L453 VanDerWaalsContact C-N 3.3Å; L451-L453 PolarHBondContact O-N 3.4Å; L453-T457 WeakPolarHBondContact O-CB 3.43Å; L453-T457 PolarHBondContact O-N 3.48Å; L453-T457 PolarHBondContact O-OG1 3.45Å
454I90.1Very high89.7Confident71 Ų7143.7 Ų43.736%0.36424%0.239SC..Hα-helixtrans-66.9-44.3-178.7-65179.5000111.1L330 R450 L451 C452 T457 T458L330-I454 HydrophobicContact CD2-CD1 3.54Å; R450-I454 WeakPolarHBondContact O-CG1 3.38Å; R450-I454 PolarHBondContact O-N 3.31Å; R450-I454 VanDerWaalsContact O-N 3.13Å; L451-I454 PolarHBondContact O-N 3.28Å; C452-I454 PolarHBondContact O-N 3.42Å; I454-T457 PolarHBondContact O-N 3.31Å; I454-T458 HydrophobicContact CG2-CG2 4.36Å; I454-T458 WeakPolarHBondContact O-CB 3.09Å; I454-T458 VanDerWaalsContact O-CG2 3.27Å; I454-T458 WeakPolarHBondContact O-CG2 3.05Å; I454-T458 PolarHBondContact O-N 2.76Å; I454-T458 PolarHBondContact O-OG1 2.87Å
455V91.6Very high89.5Confident74 Ų7446.4 Ų46.445%0.44826%0.258SS..Hα-helixtrans-62.2-47.1179.5171.70000110.9L451 C452 T458 F459L451-V455 HydrophobicContact CD1-CG2 4.26Å; L451-V455 HydrophobicContact CG-CG2 4.36Å; L451-V455 WeakPolarHBondContact O-CG2 3.44Å; L451-V455 PolarHBondContact O-N 3Å; C452-V455 PolarHBondContact O-N 3.09Å; V455-T458 PolarHBondContact O-OG1 3.28Å; V455-F459 WeakPolarHBondContact O-CB 3.37Å; V455-F459 PolarHBondContact O-N 3.27Å
456F91.7Very high89.2Confident20 Ų2049.3 Ų49.39%0.08828%0.281CS..Hα-helixtrans-73.5-34.9-180-66.8-50.4000112.8L236 F239 V290 A293 L297 C452 F459 L460L236-F456 HydrophobicContact CD2-CB 4.17Å; F239-F456 HydrophobicContact CD2-CD2 4.2Å; F239-F456 HydrophobicContact CE1-CD2 4.11Å; F239-F456 HydrophobicContact CE1-CE2 4.06Å; F239-F456 HydrophobicContact CE2-CB 4.32Å; F239-F456 AromaticContact CE2-CD2 3.26Å; F239-F456 HydrophobicContact CE2-CD2 3.26Å; F239-F456 AromaticContact CE2-CE2 3.87Å; F239-F456 HydrophobicContact CE2-CE2 3.87Å; F239-F456 HydrophobicContact CE2-CG 4.13Å; F239-F456 AromaticContact CZ-CD2 3.2Å; F239-F456 HydrophobicContact CZ-CD2 3.2Å; F239-F456 AromaticContact CZ-CE2 3.28Å; F239-F456 HydrophobicContact CZ-CE2 3.28Å; F239-F456 HydrophobicContact CZ-CG 4.38Å; V290-F456 HydrophobicContact CG1-CB 4.39Å; V290-F456 HydrophobicContact CG1-CD1 3.64Å; V290-F456 HydrophobicContact CG1-CE1 4.12Å; V290-F456 HydrophobicContact CG1-CG 4.15Å; A293-F456 HydrophobicContact CB-CE1 4.3Å; A293-F456 HydrophobicContact CB-CZ 4.05Å; L297-F456 HydrophobicContact CD1-CE2 3.55Å; L297-F456 HydrophobicContact CD1-CZ 3.47Å; L297-F456 VanDerWaalsContact CD1-CZ 3.47Å; C452-F456 HydrophobicContact CB-CD2 4.07Å; C452-F456 HydrophobicContact CB-CE2 4.02Å; C452-F456 WeakPolarHBondContact O-CB 3.26Å; C452-F456 WeakPolarHBondContact O-CD2 3.42Å; C452-F456 WeakPolarHBondContact O-CG 3.42Å; C452-F456 PolarHBondContact O-N 2.98Å; F456-F459 PolarHBondContact O-N 3.22Å; F456-L460 VanDerWaalsContact O-CB 3.28Å; F456-L460 WeakPolarHBondContact O-CB 3.33Å; F456-L460 VanDerWaalsContact O-CG 3.29Å; F456-L460 WeakPolarHBondContact O-CG 3.27Å; F456-L460 PolarHBondContact O-N 3.49Å
457T90.7Very high88.7Confident40 Ų4045.6 Ų45.625%0.24526%0.264CS..Hα-helixtrans-63.1-46173.5-58.10000111L236 L453 I454 L460 T461L236-T457 HydrophobicContact CD1-CG2 4.24Å; L236-T457 WeakPolarHBondContact CD2-OG1 3.5Å; L453-T457 WeakPolarHBondContact O-CB 3.43Å; L453-T457 PolarHBondContact O-N 3.48Å; L453-T457 PolarHBondContact O-OG1 3.45Å; I454-T457 PolarHBondContact O-N 3.31Å; T457-L460 PolarHBondContact O-N 3.16Å; T457-T461 HydrophobicContact CG2-CG2 4.19Å; T457-T461 VanDerWaalsContact O-CB 3.31Å; T457-T461 WeakPolarHBondContact O-CB 3.35Å; T457-T461 VanDerWaalsContact O-CG2 3.24Å; T457-T461 WeakPolarHBondContact O-CG2 3.46Å; T457-T461 PolarHBondContact O-N 3.43Å; T457-T461 PolarHBondContact O-OG1 3.23Å
458T90.5Very high88.1Confident85 Ų8549.8 Ų49.852%0.52129%0.286SS..Hα-helixtrans-65.2-39.8178.551.30000112.1I454 V455 T461 G462I454-T458 HydrophobicContact CG2-CG2 4.36Å; I454-T458 WeakPolarHBondContact O-CB 3.09Å; I454-T458 VanDerWaalsContact O-CG2 3.27Å; I454-T458 WeakPolarHBondContact O-CG2 3.05Å; I454-T458 PolarHBondContact O-N 2.76Å; I454-T458 PolarHBondContact O-OG1 2.87Å; V455-T458 PolarHBondContact O-OG1 3.28Å; T458-T461 WeakPolarHBondContact CA-OG1 3.48Å; T458-T461 PolarHBondContact O-OG1 3.41Å; T458-G462 PolarHBondContact O-N 2.88Å
459F91.3Very high87.7Confident93 Ų9357.2 Ų57.241%0.40832%0.317SS..Hα-helixtrans-66.4-47.7174.5-175.4-91.4000112.5C286 V290 V455 F456 G462 T463C286-F459 HydrophobicContact CB-CE1 4.35Å; V290-F459 HydrophobicContact CG2-CD1 3.33Å; V290-F459 HydrophobicContact CG2-CE1 3.3Å; V290-F459 HydrophobicContact CG2-CG 4.43Å; V290-F459 HydrophobicContact CG2-CZ 4.39Å; V455-F459 WeakPolarHBondContact O-CB 3.37Å; V455-F459 PolarHBondContact O-N 3.27Å; F456-F459 PolarHBondContact O-N 3.22Å; F459-G462 PolarHBondContact O-N 2.84Å; F459-T463 HydrophobicContact CD1-CG2 4.17Å; F459-T463 HydrophobicContact CE1-CG2 3.76Å; F459-T463 HydrophobicContact CE2-CG2 4.31Å; F459-T463 HydrophobicContact CZ-CG2 3.84Å; F459-T463 WeakPolarHBondContact O-CB 3.38Å; F459-T463 WeakPolarHBondContact O-CG2 3.41Å; F459-T463 PolarHBondContact O-N 3.22Å; F459-T463 PolarHBondContact O-OG1 3.13Å
460L88.5Confident86.9Confident5 Ų558.5 Ų58.53%0.02633%0.329CS..Hα-helixtrans-65-44.9179.7-72.8179.6000111.7L236 I287 V290 F456 T457 T463 T464L236-L460 HydrophobicContact CD1-CD1 4.32Å; L236-L460 HydrophobicContact CD2-CD1 3.75Å; L236-L460 HydrophobicContact CG-CD1 3.87Å; I287-L460 HydrophobicContact CG1-CD2 4.31Å; V290-L460 HydrophobicContact CG1-CD1 4.4Å; V290-L460 HydrophobicContact CG1-CD2 4.22Å; V290-L460 HydrophobicContact CG1-CG 4.33Å; V290-L460 HydrophobicContact CG2-CD2 4.37Å; F456-L460 VanDerWaalsContact O-CB 3.28Å; F456-L460 WeakPolarHBondContact O-CB 3.33Å; F456-L460 VanDerWaalsContact O-CG 3.29Å; F456-L460 WeakPolarHBondContact O-CG 3.27Å; F456-L460 PolarHBondContact O-N 3.49Å; T457-L460 PolarHBondContact O-N 3.16Å; L460-T463 WeakPolarHBondContact CA-OG1 3.43Å; L460-T463 PolarHBondContact O-N 3.48Å; L460-T463 PolarHBondContact O-OG1 2.93Å; L460-T464 WeakPolarHBondContact O-CB 3.26Å; L460-T464 VanDerWaalsContact O-CG2 3.31Å; L460-T464 WeakPolarHBondContact O-CG2 3.47Å; L460-T464 PolarHBondContact O-N 2.62Å; L460-T464 PolarHBondContact O-OG1 2.94Å; L460-T464 VanDerWaalsContact O-OG1 3.05Å
461T87.5Confident86Confident67 Ų6754.2 Ų54.241%0.41132%0.315SS..Hα-helixtrans-62.8-43.5174.752.70000112T457 T458 T464 C465T457-T461 HydrophobicContact CG2-CG2 4.19Å; T457-T461 VanDerWaalsContact O-CB 3.31Å; T457-T461 WeakPolarHBondContact O-CB 3.35Å; T457-T461 VanDerWaalsContact O-CG2 3.24Å; T457-T461 WeakPolarHBondContact O-CG2 3.46Å; T457-T461 PolarHBondContact O-N 3.43Å; T457-T461 PolarHBondContact O-OG1 3.23Å; T458-T461 WeakPolarHBondContact CA-OG1 3.48Å; T458-T461 PolarHBondContact O-OG1 3.41Å; T461-T464 VanDerWaalsContact CA-OG1 3.28Å; T461-T464 WeakPolarHBondContact CA-OG1 3.42Å; T461-T464 PolarHBondContact O-N 2.92Å; T461-T464 PolarHBondContact O-OG1 2.69Å; T461-C465 WeakPolarHBondContact O-CB 3.36Å; T461-C465 PolarHBondContact O-N 3.15Å; T461-C465 PolarHBondContact O-SG 3.11Å
462G88.6Confident84.8Confident41 Ų4153.5 Ų53.542%0.42331%0.314SS..Hα-helixtrans-59.8-46.4176.100000112.7T458 F459 C465 A466T458-G462 PolarHBondContact O-N 2.88Å; F459-G462 PolarHBondContact O-N 2.84Å; G462-C465 PolarHBondContact O-N 2.96Å; G462-A466 WeakPolarHBondContact O-CB 3.33Å; G462-A466 PolarHBondContact O-N 3.06Å
463T85.5Confident83.7Confident23 Ų2356.7 Ų56.714%0.14133%0.328CS..Hα-helixtrans-65.1-44.9175.849.80000112.2F459 L460 C465 A466 I467F459-T463 HydrophobicContact CD1-CG2 4.17Å; F459-T463 HydrophobicContact CE1-CG2 3.76Å; F459-T463 HydrophobicContact CE2-CG2 4.31Å; F459-T463 HydrophobicContact CZ-CG2 3.84Å; F459-T463 WeakPolarHBondContact O-CB 3.38Å; F459-T463 WeakPolarHBondContact O-CG2 3.41Å; F459-T463 PolarHBondContact O-N 3.22Å; F459-T463 PolarHBondContact O-OG1 3.13Å; L460-T463 WeakPolarHBondContact CA-OG1 3.43Å; L460-T463 PolarHBondContact O-N 3.48Å; L460-T463 PolarHBondContact O-OG1 2.93Å; T463-C465 VanDerWaalsContact C-N 3.34Å; T463-C465 PolarHBondContact O-N 3.46Å; T463-A466 PolarHBondContact O-N 3.4Å; T463-I467 WeakPolarHBondContact O-CD1 3.11Å; T463-I467 WeakPolarHBondContact O-CG1 3.16Å; T463-I467 PolarHBondContact O-N 3.22Å
464T84.5Confident82.3Confident37 Ų3757 Ų5723%0.22733%0.33CS..Hα-helixtrans-60.2-43.2175.952.40000112.2Y283 L460 T461 I467 L468Y283-T464 HydrophobicContact CE2-CG2 3.91Å; Y283-T464 WeakPolarHBondContact OH-CG2 3.39Å; L460-T464 WeakPolarHBondContact O-CB 3.26Å; L460-T464 VanDerWaalsContact O-CG2 3.31Å; L460-T464 WeakPolarHBondContact O-CG2 3.47Å; L460-T464 PolarHBondContact O-N 2.62Å; L460-T464 PolarHBondContact O-OG1 2.94Å; L460-T464 VanDerWaalsContact O-OG1 3.05Å; T461-T464 VanDerWaalsContact CA-OG1 3.28Å; T461-T464 WeakPolarHBondContact CA-OG1 3.42Å; T461-T464 PolarHBondContact O-N 2.92Å; T461-T464 PolarHBondContact O-OG1 2.69Å; T464-I467 PolarHBondContact O-N 3.44Å; T464-L468 VanDerWaalsContact O-CG 3.3Å; T464-L468 WeakPolarHBondContact O-CG 3.41Å; T464-L468 PolarHBondContact O-N 2.8Å
465C84.9Confident80.5Confident57 Ų5764 Ų6439%0.38535%0.353SS..Hα-helixtrans-64.8-45.5177.2-73.10000110.9T461 G462 T463 I467 L468 F469T461-C465 WeakPolarHBondContact O-CB 3.36Å; T461-C465 PolarHBondContact O-N 3.15Å; T461-C465 PolarHBondContact O-SG 3.11Å; G462-C465 PolarHBondContact O-N 2.96Å; T463-C465 VanDerWaalsContact C-N 3.34Å; T463-C465 PolarHBondContact O-N 3.46Å; C465-I467 VanDerWaalsContact C-N 3.26Å; C465-I467 PolarHBondContact O-N 3.39Å; C465-L468 PolarHBondContact O-N 3.44Å; C465-F469 HydrophobicContact CB-CD2 4.29Å; C465-F469 HydrophobicContact CB-CE2 4.16Å; C465-F469 WeakPolarHBondContact O-CD2 3.05Å; C465-F469 PolarHBondContact O-N 3Å
466A83.6Confident78.2Confident60 Ų6066.1 Ų66.150%0.49638%0.378SS..Hα-helixtrans-56.6-41.1178.600000112G462 T463 A470G462-A466 WeakPolarHBondContact O-CB 3.33Å; G462-A466 PolarHBondContact O-N 3.06Å; T463-A466 PolarHBondContact O-N 3.4Å; A466-A470 WeakPolarHBondContact O-CB 3.48Å; A466-A470 PolarHBondContact O-N 3.36Å
467I79.7Confident77.5Confident33 Ų3368.5 Ų68.517%0.16939%0.393CS..Hα-helixtrans-69.5-45.5178.4-69.2156.7000111.6L279 Y283 T463 T464 C465 F469 A470 A471L279-I467 HydrophobicContact CD1-CG1 4.17Å; L279-I467 HydrophobicContact CD2-CB 4.48Å; L279-I467 HydrophobicContact CD2-CG2 3.85Å; L279-I467 HydrophobicContact CG-CG1 4.27Å; L279-I467 HydrophobicContact CG-CG2 4.09Å; Y283-I467 HydrophobicContact CD1-CD1 4.21Å; Y283-I467 HydrophobicContact CD2-CD1 3.03Å; Y283-I467 HydrophobicContact CE2-CD1 3.81Å; Y283-I467 HydrophobicContact CG-CD1 3.27Å; T463-I467 WeakPolarHBondContact O-CD1 3.11Å; T463-I467 WeakPolarHBondContact O-CG1 3.16Å; T463-I467 PolarHBondContact O-N 3.22Å; T464-I467 PolarHBondContact O-N 3.44Å; C465-I467 VanDerWaalsContact C-N 3.26Å; C465-I467 PolarHBondContact O-N 3.39Å; I467-F469 VanDerWaalsContact C-N 3.26Å; I467-F469 PolarHBondContact O-N 3.44Å; I467-A470 PolarHBondContact O-N 2.92Å; I467-A470 VanDerWaalsContact O-N 3.17Å; I467-A471 WeakPolarHBondContact O-CB 3.3Å; I467-A471 PolarHBondContact O-N 3.21Å
468L77.6Confident76.8Confident88 Ų8869.9 Ų69.946%0.46140%0.401SS..Hα-helixtrans-62.3-34.5178.3-70.9172.5000112.3T464 C465 L474T464-L468 VanDerWaalsContact O-CG 3.3Å; T464-L468 WeakPolarHBondContact O-CG 3.41Å; T464-L468 PolarHBondContact O-N 2.8Å; C465-L468 PolarHBondContact O-N 3.44Å; L468-L474 HydrophobicContact CD2-CD1 3.9Å; L468-L474 HydrophobicContact CD2-CD2 3.96Å
469F80.2Confident76Confident182 Ų18269.1 Ų69.180%0.79839%0.394SS*.Hα-helixtrans-78.9-28.3175.1-72.7-59000113.5C465 I467C465-F469 HydrophobicContact CB-CD2 4.29Å; C465-F469 HydrophobicContact CB-CE2 4.16Å; C465-F469 WeakPolarHBondContact O-CD2 3.05Å; C465-F469 PolarHBondContact O-N 3Å; I467-F469 VanDerWaalsContact C-N 3.26Å; I467-F469 PolarHBondContact O-N 3.44Å
470A76.4Confident75.1Confident38 Ų3867.7 Ų67.731%0.31439%0.393SS..Hα-helixtrans-77.7-31.4177.900000111.7W143 L279 A466 I467 P472W143-A470 HydrophobicContact CH2-CB 4.31Å; W143-A470 HydrophobicContact CZ3-CB 3.82Å; W143-A470 WeakPolarHBondContact CZ3-O 3.28Å; L279-A470 HydrophobicContact CD1-CB 4.48Å; L279-A470 HydrophobicContact CD2-CB 4.15Å; A466-A470 WeakPolarHBondContact O-CB 3.48Å; A466-A470 PolarHBondContact O-N 3.36Å; I467-A470 PolarHBondContact O-N 2.92Å; I467-A470 VanDerWaalsContact O-N 3.17Å; A470-P472 WeakPolarHBondContact O-CD 3.41Å; A470-P472 VanDerWaalsContact O-N 3.15Å
471A70.5Confident74.3Confident11 Ų1171.6 Ų71.69%0.09142%0.416CS..SBendtrans-61.2112.1-179.100000111.7F146 I467 L474F146-A471 HydrophobicContact CD2-CB 3.84Å; F146-A471 HydrophobicContact CE2-CB 4.09Å; F146-A471 HydrophobicContact CG-CB 4.36Å; I467-A471 WeakPolarHBondContact O-CB 3.3Å; I467-A471 PolarHBondContact O-N 3.21Å; A471-L474 HydrophobicContact CB-CD1 3.83Å
472P66.2Low73.4Confident43 Ų4371.9 Ų71.928%0.27942%0.417SS..THydrogen-bonded Turntrans-64.7148.8169.729.2-32.8000109W143 F146 A470 L474W143-P472 HydrophobicContact CB-CG 4.06Å; W143-P472 HydrophobicContact CD2-CG 4.05Å; W143-P472 VanDerWaalsContact CE3-CD 3.46Å; W143-P472 HydrophobicContact CE3-CG 4.29Å; W143-P472 HydrophobicContact CG-CG 3.94Å; F146-P472 VanDerWaalsContact CB-O 3.25Å; F146-P472 WeakPolarHBondContact CB-O 3.22Å; A470-P472 WeakPolarHBondContact O-CD 3.41Å; A470-P472 VanDerWaalsContact O-N 3.15Å; P472-L474 VanDerWaalsContact C-N 3.3Å; P472-L474 PolarHBondContact O-N 3.45Å
473H66.6Low72.3Confident78 Ų7874.1 Ų74.136%0.36142%0.416SS..THydrogen-bonded Turntrans62.220.9174.2-51.4-65000117.3Y475 A476H473-Y475 PolarHBondContact O-N 3.19Å; H473-Y475 VanDerWaalsContact O-N 3.12Å; H473-A476 HydrophobicContact CB-CB 4.15Å; H473-A476 PolarHBondContact O-N 2.95Å
474L61.7Low71.3Confident52 Ų5278.1 Ų78.127%0.27244%0.437SS..THydrogen-bonded Turntrans-60.6-22.8171.3-153.7106.1000112.8F146 L468 A471 P472F146-L474 HydrophobicContact CE1-CD1 4.01Å; F146-L474 HydrophobicContact CE2-CD1 4.03Å; F146-L474 HydrophobicContact CZ-CD1 3.59Å; L468-L474 HydrophobicContact CD2-CD1 3.9Å; L468-L474 HydrophobicContact CD2-CD2 3.96Å; A471-L474 HydrophobicContact CB-CD1 3.83Å; P472-L474 VanDerWaalsContact C-N 3.3Å; P472-L474 PolarHBondContact O-N 3.45Å
475Y53.4Low70.2Confident218 Ų21881.5 Ų81.586%0.85546%0.455SS*.THydrogen-bonded Turntrans-126.911.9-178.1-59.6-76.6000114.5H473H473-Y475 PolarHBondContact O-N 3.19Å; H473-Y475 VanDerWaalsContact O-N 3.12Å
476A41.6Very low68.8Low118 Ų11883.7 Ų83.798%0.97546%0.461SS*.  trans-110.50178.500000109.5H473H473-A476 HydrophobicContact CB-CB 4.15Å; H473-A476 PolarHBondContact O-N 2.95Å

Retrieved 476 of 476 residues in 1151 ms (Link to these results)

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