A0A087YFL4_POEFO Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A087YFL4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 574 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
1M28.6Very low28.5Very low253 Ų253144.5 Ų144.5100%1.24675%0.749SS**  089.50-73.5-172.7-178.100108.6
2A24Very low29.4Very low103 Ų103139.8 Ų139.885%0.85173%0.726SS**  trans-101.1119.7-178.100000109S4A2-S4 PolarHBondContact O-N 3.25Å
3R23.4Very low30.6Very low247 Ų247134.3 Ų134.393%0.93270%0.704SS**  trans-73.4114.6167.8-82.1-180168.9168.6-3.4108R5R3-R5 PolarHBondContact O-N 3.37Å
4S26.1Very low31.9Very low109 Ų109142.6 Ų142.676%0.76272%0.721SS**  trans-56.5115.9168.7177.50000109.5A2 S6A2-S4 PolarHBondContact O-N 3.25Å; S4-S6 PolarHBondContact O-N 3.35Å
5R25.1Very low33.8Very low221 Ų221143.1 Ų143.183%0.83471%0.711SS**  trans-81.394.6167.7-108.6179.8167.6177.2-2.2107.4R3 D7R3-R5 PolarHBondContact O-N 3.37Å; R5-D7 VanDerWaalsContact C-N 3.28Å; R5-D7 PolarHBondContact O-N 3.44Å
6S27.5Very low36.5Very low102 Ų102137.7 Ų137.771%0.71369%0.685SS**  trans-93.447.7171.169.60000111.5S4S4-S6 PolarHBondContact O-N 3.35Å
7D28.1Very low39.2Very low131 Ų131133.7 Ų133.770%0.70168%0.679SS**  trans-114.765.8180-69.9-31.7000110R5R5-D7 VanDerWaalsContact C-N 3.28Å; R5-D7 PolarHBondContact O-N 3.44Å
8F30.4Very low41.8Very low180 Ų180138.1 Ų138.179%0.78969%0.686SS**  trans-140101.3165.4-78.7-80.3000108.3
9L30.3Very low44.3Very low83 Ų83130.8 Ų130.844%0.43565%0.65SS.*  trans156.898.7150.4-83.7168.3000109.2L11L9-L11 HydrophobicContact CB-CD1 4.1Å; L9-L11 HydrophobicContact CB-CG 4.1Å; L9-L11 HydrophobicContact CD1-CD1 3.93Å; L9-L11 HydrophobicContact CD2-CD1 3.92Å; L9-L11 HydrophobicContact CD2-CG 4.01Å; L9-L11 HydrophobicContact CG-CD1 4.19Å; L9-L11 HydrophobicContact CG-CG 4.48Å; L9-L11 PolarHBondContact O-N 2.86Å
10P31.7Very low46.5Very low111 Ų111125 Ų12572%0.72162%0.621SS**  trans-81.571.2169.433.6-30.2000109.1L12P10-L12 VanDerWaalsContact C-N 3.34Å; P10-L12 PolarHBondContact O-N 3.34Å
11L37.8Very low48.5Very low49 Ų49121.2 Ų121.226%0.25761%0.606SS.*  trans-86.710.6-173.4-82.4174.2000116L9 A387 S390 F456L9-L11 HydrophobicContact CB-CD1 4.1Å; L9-L11 HydrophobicContact CB-CG 4.1Å; L9-L11 HydrophobicContact CD1-CD1 3.93Å; L9-L11 HydrophobicContact CD2-CD1 3.92Å; L9-L11 HydrophobicContact CD2-CG 4.01Å; L9-L11 HydrophobicContact CG-CD1 4.19Å; L9-L11 HydrophobicContact CG-CG 4.48Å; L9-L11 PolarHBondContact O-N 2.86Å; L11-A387 HydrophobicContact CD1-CB 4.47Å; L11-S390 VanDerWaalsContact CD1-CB 3.45Å; L11-F456 HydrophobicContact CD2-CZ 4.23Å
12L40.4Very low51.6Low89 Ų89110.3 Ų110.347%0.46655%0.552SS.*SBendtrans-147.3137.8166.4-69.8172.9000109.4P10 R14P10-L12 VanDerWaalsContact C-N 3.34Å; P10-L12 PolarHBondContact O-N 3.34Å; L12-R14 PolarHBondContact O-N 3.37Å
13P44.6Very low54.8Low68 Ų68105.4 Ų105.444%0.44251%0.512SS..  trans-50.1133.5161.2-19.129.4000107.7R15P13-R15 PolarHBondContact O-N 3.33Å
14R48.1Very low58Low251 Ų25199 Ų9995%0.94749%0.491SS*.  trans-39.1103.5175.8-96.5179.8169.1177.3-2.6108.9L12 N16L12-R14 PolarHBondContact O-N 3.37Å; R14-N16 PolarHBondContact O-N 2.87Å
15R61.3Low61Low150 Ų150103.5 Ų103.557%0.56649%0.491SS*.  trans-57.5114.9-176-79.4-174.1163.7170.7-3.3107.6P13 A17 Y38P13-R15 PolarHBondContact O-N 3.33Å; R15-A17 PolarHBondContact O-N 2.65Å; R15-Y38 WeakPolarHBondContact CG-OH 3.23Å
16N76.7Confident64Low56 Ų5697.9 Ų97.930%0.29948%0.477SS..  trans-67.3101.7173.8-178.1-29.2000107.3R14 R18 L19 D20 Y54R14-N16 PolarHBondContact O-N 2.87Å; N16-R18 PolarHBondContact O-N 3.31Å; N16-R18 VanDerWaalsContact O-N 3.07Å; N16-R18 WeakPolarHBondContact OD1-CB 3.48Å; N16-R18 PolarHBondContact OD1-N 3.29Å; N16-R18 VanDerWaalsContact OD1-N 3.1Å; N16-L19 HydrophobicContact CB-CB 3.99Å; N16-L19 PolarHBondContact O-N 3.35Å; N16-L19 PolarHBondContact OD1-N 3.27Å; N16-D20 PolarHBondContact O-N 3.25Å; N16-Y54 PolarHBondContact ND2-OH 3.27Å
17A82.1Confident66.9Low70 Ų7093.9 Ų93.958%0.57945%0.449SS*.Hα-helixtrans-55.9-30.2-174.300000112.9R15 S21R15-A17 PolarHBondContact O-N 2.65Å; A17-S21 VanDerWaalsContact O-CB 3.25Å; A17-S21 WeakPolarHBondContact O-CB 3.39Å; A17-S21 PolarHBondContact O-N 3.1Å; A17-S21 PolarHBondContact O-OG 3.41Å
18R86.2Confident69.7Low212 Ų21295 Ų9580%0.845%0.45SS*.Hα-helixtrans-70.6-45.7175.9-64-176.9178.3178.5-0.2111.4N16 F22N16-R18 PolarHBondContact O-N 3.31Å; N16-R18 VanDerWaalsContact O-N 3.07Å; N16-R18 WeakPolarHBondContact OD1-CB 3.48Å; N16-R18 PolarHBondContact OD1-N 3.29Å; N16-R18 VanDerWaalsContact OD1-N 3.1Å; R18-F22 WeakPolarHBondContact O-CB 3.36Å; R18-F22 PolarHBondContact O-N 2.94Å
19L88.6Confident72.2Confident1 Ų195.1 Ų95.11%0.00545%0.445CS..Hα-helixtrans-66.3-43.4176.7179.360.9000111.4N16 S21 F22 L23 Y38 Y54 T65 P69N16-L19 HydrophobicContact CB-CB 3.99Å; N16-L19 PolarHBondContact O-N 3.35Å; N16-L19 PolarHBondContact OD1-N 3.27Å; L19-S21 VanDerWaalsContact C-N 3.34Å; L19-S21 PolarHBondContact O-N 3.19Å; L19-F22 HydrophobicContact CD1-CD1 4.21Å; L19-F22 WeakPolarHBondContact O-CB 3.19Å; L19-F22 PolarHBondContact O-N 3.11Å; L19-F22 VanDerWaalsContact O-N 3.13Å; L19-L23 HydrophobicContact CD1-CD1 4.31Å; L19-L23 HydrophobicContact CD1-CG 4.19Å; L19-L23 HydrophobicContact CG-CD1 4.09Å; L19-L23 HydrophobicContact CG-CG 4.4Å; L19-L23 WeakPolarHBondContact O-CG 3.49Å; L19-L23 PolarHBondContact O-N 3.01Å; L19-Y38 HydrophobicContact CD2-CD2 3.38Å; L19-Y38 HydrophobicContact CD2-CE2 3.79Å; L19-Y38 HydrophobicContact CD2-CG 3.91Å; L19-Y38 HydrophobicContact CG-CD2 4.35Å; L19-Y38 HydrophobicContact CG-CE2 4.44Å; L19-Y54 HydrophobicContact CD1-CD2 4.26Å; L19-Y54 HydrophobicContact CD1-CG 4.48Å; L19-Y54 HydrophobicContact CD2-CD1 3.5Å; L19-Y54 HydrophobicContact CD2-CD2 4.01Å; L19-Y54 HydrophobicContact CD2-CE1 3.78Å; L19-Y54 HydrophobicContact CD2-CE2 4.24Å; L19-Y54 HydrophobicContact CD2-CG 3.61Å; L19-T65 HydrophobicContact CD1-CG2 3.89Å; L19-P69 HydrophobicContact CD1-CB 4.03Å; L19-P69 HydrophobicContact CD1-CG 4.17Å
20D88.8Confident74.6Confident14 Ų1494.1 Ų94.18%0.07545%0.448CS..Hα-helixtrans-60.6-44.5177.2-17264.9000111.5N16 F22 L23 K24 Y32N16-D20 PolarHBondContact O-N 3.25Å; D20-F22 VanDerWaalsContact C-N 3.32Å; D20-F22 PolarHBondContact O-N 3.39Å; D20-L23 PolarHBondContact O-N 3.1Å; D20-K24 WeakPolarHBondContact O-CB 3.41Å; D20-K24 WeakPolarHBondContact O-CG 3.37Å; D20-K24 PolarHBondContact O-N 3.31Å; D20-K24 WeakPolarHBondContact OD2-CE 3.21Å; D20-K24 IonicContact OD2-NZ 3.12Å; D20-K24 PolarHBondContact OD2-NZ 2.99Å; D20-Y32 PolarHBondContact OD1-OH 3.35Å
21S89.1Confident77.2Confident45 Ų4590.4 Ų90.432%0.31542%0.423SS..Hα-helixtrans-63.1-38.3174.2-61.80000112.3A17 L19 R25A17-S21 VanDerWaalsContact O-CB 3.25Å; A17-S21 WeakPolarHBondContact O-CB 3.39Å; A17-S21 PolarHBondContact O-N 3.1Å; A17-S21 PolarHBondContact O-OG 3.41Å; L19-S21 VanDerWaalsContact C-N 3.34Å; L19-S21 PolarHBondContact O-N 3.19Å; S21-R25 WeakPolarHBondContact O-CB 3.37Å; S21-R25 WeakPolarHBondContact O-CD 3.33Å; S21-R25 VanDerWaalsContact O-CG 3.22Å; S21-R25 WeakPolarHBondContact O-CG 3.38Å; S21-R25 PolarHBondContact O-N 2.77Å
22F92.6Very high79.5Confident25 Ų2590.6 Ų90.611%0.1142%0.42CS..Hα-helixtrans-62.4-50.4174.6169-94.3000111R18 L19 D20 R25 N26 P69 L72R18-F22 WeakPolarHBondContact O-CB 3.36Å; R18-F22 PolarHBondContact O-N 2.94Å; L19-F22 HydrophobicContact CD1-CD1 4.21Å; L19-F22 WeakPolarHBondContact O-CB 3.19Å; L19-F22 PolarHBondContact O-N 3.11Å; L19-F22 VanDerWaalsContact O-N 3.13Å; D20-F22 VanDerWaalsContact C-N 3.32Å; D20-F22 PolarHBondContact O-N 3.39Å; F22-R25 PolarHBondContact O-N 2.81Å; F22-N26 VanDerWaalsContact CD2-ND2 3.26Å; F22-N26 WeakPolarHBondContact CD2-ND2 3.43Å; F22-N26 HydrophobicContact CE2-CB 4.19Å; F22-N26 WeakPolarHBondContact CE2-ND2 3.41Å; F22-N26 HydrophobicContact CZ-CB 4.2Å; F22-N26 WeakPolarHBondContact O-CB 3.41Å; F22-N26 PolarHBondContact O-N 3.33Å; F22-N26 PolarHBondContact O-ND2 3.02Å; F22-P69 HydrophobicContact CB-CB 4.41Å; F22-P69 HydrophobicContact CB-CG 4.14Å; F22-P69 HydrophobicContact CD1-CB 3.75Å; F22-P69 HydrophobicContact CD1-CG 4.38Å; F22-P69 HydrophobicContact CD2-CB 4.14Å; F22-P69 HydrophobicContact CD2-CG 4.47Å; F22-P69 HydrophobicContact CE1-CB 4Å; F22-P69 HydrophobicContact CE2-CB 4.38Å; F22-P69 HydrophobicContact CG-CB 3.83Å; F22-P69 HydrophobicContact CG-CG 4.08Å; F22-P69 HydrophobicContact CZ-CB 4.31Å; F22-L72 HydrophobicContact CE1-CB 4.34Å
23L91.8Very high81.5Confident0 Ų089.5 Ų89.50%041%0.413CS..Hα-helixtrans-60.1-49.6179.7-67.2171.1000110.8L19 D20 R25 N26 T27 Y32 I35 Y38 V56 L72L19-L23 HydrophobicContact CD1-CD1 4.31Å; L19-L23 HydrophobicContact CD1-CG 4.19Å; L19-L23 HydrophobicContact CG-CD1 4.09Å; L19-L23 HydrophobicContact CG-CG 4.4Å; L19-L23 WeakPolarHBondContact O-CG 3.49Å; L19-L23 PolarHBondContact O-N 3.01Å; D20-L23 PolarHBondContact O-N 3.1Å; L23-R25 PolarHBondContact O-N 3.28Å; L23-R25 VanDerWaalsContact O-N 3.14Å; L23-N26 PolarHBondContact O-N 2.86Å; L23-T27 PolarHBondContact O-N 3.2Å; L23-T27 PolarHBondContact O-OG1 3.48Å; L23-Y32 HydrophobicContact CB-CD2 3.99Å; L23-Y32 HydrophobicContact CB-CE2 4.03Å; L23-I35 HydrophobicContact CB-CD1 4.33Å; L23-I35 HydrophobicContact CD1-CD1 4.08Å; L23-I35 HydrophobicContact CD2-CD1 4.29Å; L23-I35 HydrophobicContact CG-CD1 4.46Å; L23-Y38 HydrophobicContact CD1-CD1 3.91Å; L23-Y38 HydrophobicContact CD1-CE1 4.16Å; L23-V56 HydrophobicContact CD1-CG1 4.32Å; L23-V56 HydrophobicContact CD2-CG1 4.29Å; L23-V56 HydrophobicContact CD2-CG2 4.36Å; L23-L72 HydrophobicContact CD2-CD1 3.99Å; L23-L72 HydrophobicContact CD2-CD2 4.17Å
24K90Very high83.3Confident112 Ų11289.7 Ų89.749%0.48741%0.405SS..Hα-helixtrans-53.3-37.3176.6-77.1176.2177.4159.80113.9D20 Y32D20-K24 WeakPolarHBondContact O-CB 3.41Å; D20-K24 WeakPolarHBondContact O-CG 3.37Å; D20-K24 PolarHBondContact O-N 3.31Å; D20-K24 WeakPolarHBondContact OD2-CE 3.21Å; D20-K24 IonicContact OD2-NZ 3.12Å; D20-K24 PolarHBondContact OD2-NZ 2.99Å; K24-Y32 HydrophobicContact CB-CE2 4.43Å; K24-Y32 HydrophobicContact CD-CE1 4.43Å; K24-Y32 VanDerWaalsContact CE-CZ 3.47Å; K24-Y32 WeakPolarHBondContact CE-OH 3.3Å; K24-Y32 HydrophobicContact CG-CD1 4.21Å; K24-Y32 HydrophobicContact CG-CD2 3.96Å; K24-Y32 HydrophobicContact CG-CE1 3.74Å; K24-Y32 HydrophobicContact CG-CE2 3.47Å; K24-Y32 VanDerWaalsContact CG-CE2 3.47Å; K24-Y32 HydrophobicContact CG-CG 4.33Å
25R89.2Confident85.2Confident204 Ų20478.9 Ų78.977%0.7737%0.365SS*.Hα-helixtrans-86.7-26.9-176.5-69.2173.4-172.1172.92.5113.6S21 F22 L23S21-R25 WeakPolarHBondContact O-CB 3.37Å; S21-R25 WeakPolarHBondContact O-CD 3.33Å; S21-R25 VanDerWaalsContact O-CG 3.22Å; S21-R25 WeakPolarHBondContact O-CG 3.38Å; S21-R25 PolarHBondContact O-N 2.77Å; F22-R25 PolarHBondContact O-N 2.81Å; L23-R25 PolarHBondContact O-N 3.28Å; L23-R25 VanDerWaalsContact O-N 3.14Å
26N88Confident86.4Confident102 Ų10272.4 Ų72.455%0.54534%0.341SS..Hα-helixtrans-112.91.2-169.1-65.4-85.8000113.9F22 L23F22-N26 VanDerWaalsContact CD2-ND2 3.26Å; F22-N26 WeakPolarHBondContact CD2-ND2 3.43Å; F22-N26 HydrophobicContact CE2-CB 4.19Å; F22-N26 WeakPolarHBondContact CE2-ND2 3.41Å; F22-N26 HydrophobicContact CZ-CB 4.2Å; F22-N26 WeakPolarHBondContact O-CB 3.41Å; F22-N26 PolarHBondContact O-N 3.33Å; F22-N26 PolarHBondContact O-ND2 3.02Å; L23-N26 PolarHBondContact O-N 2.86Å
27T88.8Confident86.9Confident19 Ų1970.3 Ų70.312%0.11733%0.33CS..SBendtrans-119.9150.9172.963.20000111.3L23 L31 Y32 L72L23-T27 PolarHBondContact O-N 3.2Å; L23-T27 PolarHBondContact O-OG1 3.48Å; T27-L31 HydrophobicContact CG2-CD2 3.99Å; T27-Y32 WeakPolarHBondContact OG1-CB 3.34Å; T27-L72 HydrophobicContact CG2-CD2 3.34Å
28E87.7Confident87.3Confident154 Ų15468.5 Ų68.572%0.7231%0.308SS*.  trans-56.3144.7167.8-66.5177.5-17200110.6A30 L31 Y32E28-A30 PolarHBondContact O-N 2.99Å; E28-L31 HydrophobicContact CB-CB 4.46Å; E28-L31 WeakPolarHBondContact O-CB 3.49Å; E28-L31 PolarHBondContact O-N 3.23Å; E28-Y32 PolarHBondContact O-N 3.01Å
29R82.4Confident87.5Confident182 Ų18258.9 Ų58.969%0.68727%0.273SS*.Hα-helixtrans-54-42.7-179.2-177.8176.4178.8164.82.8112.1L31 Y32 E33R29-L31 VanDerWaalsContact C-N 3.31Å; R29-L31 PolarHBondContact O-N 3.27Å; R29-Y32 PolarHBondContact O-N 3.5Å; R29-E33 HydrophobicContact CG-CG 4.44Å; R29-E33 WeakPolarHBondContact CG-OE1 3.19Å; R29-E33 IonicContact CZ-OE1 3.22Å; R29-E33 IonicContact NE-OE1 3.64Å; R29-E33 PolarHBondContact NE-OE1 2.98Å; R29-E33 IonicContact NH2-OE1 2.71Å; R29-E33 WeakPolarHBondContact O-CG 3.49Å; R29-E33 PolarHBondContact O-N 3.44Å
30A80.8Confident87.7Confident62 Ų6261.1 Ų61.151%0.51229%0.287SS..Hα-helixtrans-60.8-39.1177.600000112.3E28 R34E28-A30 PolarHBondContact O-N 2.99Å; A30-R34 WeakPolarHBondContact O-CD 3.41Å; A30-R34 WeakPolarHBondContact O-CG 3.26Å
31L85.6Confident87.8Confident34 Ų3460.4 Ų60.418%0.17828%0.284CS..Hα-helixtrans-70-46.4175.6178.560.8000111.1T27 E28 R29 E33 R34 I35 Y63T27-L31 HydrophobicContact CG2-CD2 3.99Å; E28-L31 HydrophobicContact CB-CB 4.46Å; E28-L31 WeakPolarHBondContact O-CB 3.49Å; E28-L31 PolarHBondContact O-N 3.23Å; R29-L31 VanDerWaalsContact C-N 3.31Å; R29-L31 PolarHBondContact O-N 3.27Å; L31-E33 VanDerWaalsContact C-N 3.3Å; L31-E33 PolarHBondContact O-N 3.32Å; L31-R34 WeakPolarHBondContact O-CA 3.49Å; L31-R34 WeakPolarHBondContact O-CB 3.12Å; L31-R34 PolarHBondContact O-N 2.9Å; L31-I35 PolarHBondContact O-N 3.36Å; L31-Y63 HydrophobicContact CD1-CE2 4.03Å; L31-Y63 WeakPolarHBondContact CD1-OH 3.3Å; L31-Y63 HydrophobicContact CD2-CE1 4.43Å; L31-Y63 HydrophobicContact CD2-CE2 4.49Å
32Y86.5Confident88.1Confident53 Ų5359 Ų5921%0.20827%0.273CS..Hα-helixtrans-56.5-44.5179.7-178.8-101.8000111.9D20 L23 K24 T27 E28 R29 R34 I35D20-Y32 PolarHBondContact OD1-OH 3.35Å; L23-Y32 HydrophobicContact CB-CD2 3.99Å; L23-Y32 HydrophobicContact CB-CE2 4.03Å; K24-Y32 HydrophobicContact CB-CE2 4.43Å; K24-Y32 HydrophobicContact CD-CE1 4.43Å; K24-Y32 VanDerWaalsContact CE-CZ 3.47Å; K24-Y32 WeakPolarHBondContact CE-OH 3.3Å; K24-Y32 HydrophobicContact CG-CD1 4.21Å; K24-Y32 HydrophobicContact CG-CD2 3.96Å; K24-Y32 HydrophobicContact CG-CE1 3.74Å; K24-Y32 HydrophobicContact CG-CE2 3.47Å; K24-Y32 VanDerWaalsContact CG-CE2 3.47Å; K24-Y32 HydrophobicContact CG-CG 4.33Å; T27-Y32 WeakPolarHBondContact OG1-CB 3.34Å; E28-Y32 PolarHBondContact O-N 3.01Å; R29-Y32 PolarHBondContact O-N 3.5Å; Y32-R34 PolarHBondContact O-N 3.19Å; Y32-I35 HydrophobicContact CD2-CD1 4.05Å; Y32-I35 WeakPolarHBondContact O-CB 3.37Å; Y32-I35 PolarHBondContact O-N 3.06Å
33E82.1Confident88.2Confident65 Ų6557.8 Ų57.830%0.30427%0.268SS..Hα-helixtrans-65.8-18.8178.8-71.9176.5-17500113.2R29 L31 R331R29-E33 HydrophobicContact CG-CG 4.44Å; R29-E33 WeakPolarHBondContact CG-OE1 3.19Å; R29-E33 IonicContact CZ-OE1 3.22Å; R29-E33 IonicContact NE-OE1 3.64Å; R29-E33 PolarHBondContact NE-OE1 2.98Å; R29-E33 IonicContact NH2-OE1 2.71Å; R29-E33 WeakPolarHBondContact O-CG 3.49Å; R29-E33 PolarHBondContact O-N 3.44Å; L31-E33 VanDerWaalsContact C-N 3.3Å; L31-E33 PolarHBondContact O-N 3.32Å; E33-R331 VanDerWaalsContact O-CZ 3.29Å; E33-R331 PolarHBondContact O-NH1 2.76Å; E33-R331 PolarHBondContact O-NH2 2.97Å
34R83.2Confident88.3Confident72 Ų7259.1 Ų59.127%0.27228%0.275SS..Hα-helixtrans-96.8-4.9179.1-66.3168.973.9-175.27.8113.6A30 L31 Y32 R36 D59 E60A30-R34 WeakPolarHBondContact O-CD 3.41Å; A30-R34 WeakPolarHBondContact O-CG 3.26Å; L31-R34 WeakPolarHBondContact O-CA 3.49Å; L31-R34 WeakPolarHBondContact O-CB 3.12Å; L31-R34 PolarHBondContact O-N 2.9Å; Y32-R34 PolarHBondContact O-N 3.19Å; R34-R36 PolarHBondContact O-N 3.18Å; R34-R36 PolarHBondContact O-NE 2.88Å; R34-D59 WeakPolarHBondContact CB-OD1 3.48Å; R34-D59 IonicContact CZ-OD1 3.91Å; R34-D59 IonicContact CZ-OD2 3.69Å; R34-D59 VanDerWaalsContact CZ-OD2 3.22Å; R34-D59 IonicContact NE-OD1 3.03Å; R34-D59 PolarHBondContact NE-OD1 2.97Å; R34-D59 IonicContact NE-OD2 3.62Å; R34-D59 PolarHBondContact NE-OD2 3.13Å; R34-D59 IonicContact NH2-OD1 3.33Å; R34-D59 PolarHBondContact NH2-OD1 3.08Å; R34-D59 IonicContact NH2-OD2 2.68Å; R34-D59 PolarHBondContact NH2-OD2 2.88Å; R34-E60 IonicContact CZ-OE1 3.37Å; R34-E60 IonicContact NH1-OE1 3.41Å; R34-E60 PolarHBondContact NH1-OE1 2.69Å; R34-E60 IonicContact NH1-OE2 3.3Å; R34-E60 IonicContact NH2-OE1 2.68Å; R34-E60 PolarHBondContact NH2-OE1 3.44Å
35I87.9Confident88.4Confident24 Ų2454.5 Ų54.512%0.12326%0.258CS..EExtended strand (participates in β ladder)trans-65.1129.7174.3-63.9176.4000109L23 L31 Y32 Y38 V56L23-I35 HydrophobicContact CB-CD1 4.33Å; L23-I35 HydrophobicContact CD1-CD1 4.08Å; L23-I35 HydrophobicContact CD2-CD1 4.29Å; L23-I35 HydrophobicContact CG-CD1 4.46Å; L31-I35 PolarHBondContact O-N 3.36Å; Y32-I35 HydrophobicContact CD2-CD1 4.05Å; Y32-I35 WeakPolarHBondContact O-CB 3.37Å; Y32-I35 PolarHBondContact O-N 3.06Å; I35-Y38 HydrophobicContact CG2-CD1 4.28Å; I35-V56 HydrophobicContact CD1-CG1 4.06Å; I35-V56 HydrophobicContact CG1-CG1 4.32Å; I35-V56 HydrophobicContact CG2-CG1 3.93Å
36R85.9Confident88.2Confident15 Ų1551 Ų516%0.05725%0.254CS..EExtended strand (participates in β ladder)trans-98.1-51.8-175-57.2-61.6178.7165.1-3111.9R34 L57 E382 E384 V385R34-R36 PolarHBondContact O-N 3.18Å; R34-R36 PolarHBondContact O-NE 2.88Å; R36-L57 HydrophobicContact CB-CG 4.47Å; R36-L57 PolarHBondContact N-O 3.37Å; R36-E382 PolarHBondContact NH1-O 3.48Å; R36-E382 PolarHBondContact NH2-O 2.7Å; R36-E384 IonicContact CZ-OE1 3.5Å; R36-E384 IonicContact NE-OE1 2.79Å; R36-E384 IonicContact NH1-OE1 3.29Å; R36-V385 HydrophobicContact CB-CG1 3.96Å; R36-V385 VanDerWaalsContact O-CG1 3.29Å; R36-V385 WeakPolarHBondContact O-CG1 3.48Å
37T88.1Confident88.1Confident11 Ų1148.6 Ų48.67%0.06724%0.243CC..EExtended strand (participates in β ladder)trans-152162.3177.1-170.60000109.8L57 L252 H255T37-L57 HydrophobicContact CG2-CB 4.06Å; T37-L57 HydrophobicContact CG2-CD2 4.14Å; T37-L57 PolarHBondContact O-N 3.23Å; T37-L252 HydrophobicContact CG2-CD1 3.78Å; T37-H255 HydrophobicContact CG2-CB 3.71Å
38Y90.5Very high88Confident32 Ų3247.9 Ų47.913%0.12524%0.238CC..EExtended strand (participates in β ladder)trans-144.2137.8166.551.8-100.7000109.4R15 L19 L23 I35 A55R15-Y38 WeakPolarHBondContact CG-OH 3.23Å; L19-Y38 HydrophobicContact CD2-CD2 3.38Å; L19-Y38 HydrophobicContact CD2-CE2 3.79Å; L19-Y38 HydrophobicContact CD2-CG 3.91Å; L19-Y38 HydrophobicContact CG-CD2 4.35Å; L19-Y38 HydrophobicContact CG-CE2 4.44Å; L23-Y38 HydrophobicContact CD1-CD1 3.91Å; L23-Y38 HydrophobicContact CD1-CE1 4.16Å; I35-Y38 HydrophobicContact CG2-CD1 4.28Å; Y38-A55 CarbonylContact C-O 3.58Å; Y38-A55 WeakPolarHBondContact CA-O 3.46Å; Y38-A55 WeakPolarHBondContact CB-O 3.17Å
39E90.7Very high88.2Confident10 Ų1046.4 Ų46.45%0.04724%0.236CC..EExtended strand (participates in β ladder)trans-141.7144.6-179.9-69.2-167.4-140.300110.6Y54 A55 V245 S250 T251 L252E39-Y54 WeakPolarHBondContact O-CA 3.47Å; E39-A55 PolarHBondContact N-O 2.84Å; E39-A55 PolarHBondContact O-N 3.42Å; E39-V245 HydrophobicContact CB-CG1 4.5Å; E39-V245 WeakPolarHBondContact OE2-CG1 3.29Å; E39-S250 PolarHBondContact OE1-OG 2.92Å; E39-S250 WeakPolarHBondContact OE2-CA 3.49Å; E39-S250 WeakPolarHBondContact OE2-CB 3.26Å; E39-S250 PolarHBondContact OE2-OG 3.28Å; E39-T251 PolarHBondContact OE1-N 3.15Å; E39-L252 HydrophobicContact CB-CD2 4.45Å; E39-L252 HydrophobicContact CG-CB 4.45Å; E39-L252 PolarHBondContact OE1-N 3.21Å
40P91.4Very high88.6Confident48 Ų4842.2 Ų42.231%0.31222%0.222SC..EExtended strand (participates in β ladder)trans-72136.7171.830.2-32.5000110.7Y52 M53 Y54P40-Y52 HydrophobicContact CB-CE1 4.29Å; P40-Y52 HydrophobicContact CB-CE2 4.26Å; P40-Y52 VanDerWaalsContact CB-OH 3.31Å; P40-Y52 WeakPolarHBondContact CB-OH 3.38Å; P40-M53 CarbonylContact C-O 3.52Å; P40-M53 WeakPolarHBondContact CA-O 3.38Å; P40-Y54 HydrophobicContact CB-CD1 3.91Å; P40-Y54 HydrophobicContact CB-CE1 3.81Å; P40-Y54 HydrophobicContact CG-CE1 4.26Å
41C92.8Very high89.1Confident0 Ų042.2 Ų42.20%022%0.216CC..EExtended strand (participates in β ladder)trans-151.3159.3-179.561.70000111.5M53 Y244 V245C41-M53 PolarHBondContact N-O 3.43Å; C41-M53 PolarHBondContact O-N 3.43Å; C41-Y244 CarbonylContact C-O 3.58Å; C41-Y244 VanDerWaalsContact CA-O 3.29Å; C41-Y244 WeakPolarHBondContact CA-O 3.19Å; C41-Y244 WeakPolarHBondContact CB-O 3.38Å; C41-V245 HydrophobicContact CB-CG2 3.99Å
42V94.3Very high89.4Confident15 Ų1545.9 Ų45.99%0.09123%0.228CC..EExtended strand (participates in β ladder)trans-84.6128.1162.7-179.20000108K50 Y52 F93 L94 Y244V42-K50 HydrophobicContact CG1-CB 4.17Å; V42-Y52 HydrophobicContact CG2-CD2 4.01Å; V42-F93 HydrophobicContact CB-CE2 4.19Å; V42-F93 HydrophobicContact CG1-CE2 3.83Å; V42-F93 HydrophobicContact CG1-CZ 4.43Å; V42-F93 HydrophobicContact CG2-CE2 4.46Å; V42-L94 HydrophobicContact CG2-CD2 4.38Å; V42-Y244 PolarHBondContact N-O 3.15Å; V42-Y244 PolarHBondContact O-N 3.23Å
43V94.9Very high89.7Confident0 Ų043.6 Ų43.60%022%0.219CC..EExtended strand (participates in β ladder)trans-103.6132.7-178.7-178.50000109.6I48 K50 V51 M53 L64 L241 H242 L243V43-I48 HydrophobicContact CB-CG2 4.2Å; V43-I48 HydrophobicContact CG1-CB 4.48Å; V43-I48 HydrophobicContact CG1-CD1 4.28Å; V43-I48 HydrophobicContact CG1-CG2 4.09Å; V43-K50 WeakPolarHBondContact O-CA 3.42Å; V43-K50 PolarHBondContact O-N 2.75Å; V43-V51 PolarHBondContact N-O 3.41Å; V43-V51 PolarHBondContact O-N 3.2Å; V43-M53 HydrophobicContact CG2-CB 3.95Å; V43-M53 HydrophobicContact CG2-CG 4.33Å; V43-M53 HydrophobicContact CG2-SD 4.25Å; V43-L64 HydrophobicContact CG1-CD1 3.87Å; V43-L64 HydrophobicContact CG2-CD1 4.34Å; V43-L64 HydrophobicContact CG2-CD2 3.77Å; V43-L241 HydrophobicContact CG1-CD1 3.65Å; V43-H242 WeakPolarHBondContact CA-O 3.35Å; V43-L243 HydrophobicContact CG1-CD2 4.36Å; V43-L243 HydrophobicContact CG2-CD2 3.97Å
44V94.1Very high90.2Very high27 Ų2741.1 Ų41.116%0.16421%0.207CC..EExtended strand (participates in β ladder)trans-128.6133.7169.9-172.30000109.5I48 K50 H242 Y244V44-I48 CarbonylContact C-O 3.41Å; V44-I48 VanDerWaalsContact CA-O 3.26Å; V44-I48 WeakPolarHBondContact CA-O 3.41Å; V44-K50 HydrophobicContact CG2-CB 4.4Å; V44-K50 HydrophobicContact CG2-CG 3.75Å; V44-H242 HydrophobicContact CB-CB 4.09Å; V44-H242 PolarHBondContact N-O 3.26Å; V44-H242 PolarHBondContact O-N 3.42Å; V44-Y244 HydrophobicContact CB-CE2 4.1Å; V44-Y244 HydrophobicContact CG2-CD2 4.06Å; V44-Y244 HydrophobicContact CG2-CE2 3.58Å
45S92.1Very high90.8Very high16 Ų1637.7 Ų37.711%0.11219%0.194CC..EExtended strand (participates in β ladder)trans-155.1178.4170.569.50000109V47 I48S45-V47 PolarHBondContact O-N 3.03Å; S45-V47 PolarHBondContact OG-N 3.35Å; S45-I48 PolarHBondContact N-O 3.38Å; S45-I48 CarbonylContact O-C 3.58Å; S45-I48 PolarHBondContact O-N 3.38Å; S45-I48 PolarHBondContact OG-N 2.9Å
46D85.8Confident91.1Very high131 Ų13136.6 Ų36.670%0.70119%0.189SC*.SBendtrans-52.5-30.4177-55.3-27.2000113.5
47V84.6Confident91.4Very high51 Ų5135.9 Ų35.931%0.30919%0.186SC..SBendtrans-109.8-14.6-175.8-66.20000114.1S45 L226S45-V47 PolarHBondContact O-N 3.03Å; S45-V47 PolarHBondContact OG-N 3.35Å; V47-L226 HydrophobicContact CG2-CD2 3.86Å
48I87.7Confident91.6Very high4 Ų435.4 Ų35.42%0.02118%0.183CC..  trans-121114.3-179.9-63.7168.2000107.9V43 V44 S45 V51 M53 L64 L222 L226V43-I48 HydrophobicContact CB-CG2 4.2Å; V43-I48 HydrophobicContact CG1-CB 4.48Å; V43-I48 HydrophobicContact CG1-CD1 4.28Å; V43-I48 HydrophobicContact CG1-CG2 4.09Å; V44-I48 CarbonylContact C-O 3.41Å; V44-I48 VanDerWaalsContact CA-O 3.26Å; V44-I48 WeakPolarHBondContact CA-O 3.41Å; S45-I48 PolarHBondContact N-O 3.38Å; S45-I48 CarbonylContact O-C 3.58Å; S45-I48 PolarHBondContact O-N 3.38Å; S45-I48 PolarHBondContact OG-N 2.9Å; I48-V51 HydrophobicContact CG2-CB 3.85Å; I48-V51 HydrophobicContact CG2-CG2 3.66Å; I48-M53 HydrophobicContact CD1-CE 4.47Å; I48-M53 HydrophobicContact CG2-CE 4.26Å; I48-L64 HydrophobicContact CD1-CD1 3.97Å; I48-L222 HydrophobicContact CD1-CD2 3.85Å; I48-L222 HydrophobicContact CG1-CD2 4.32Å; I48-L226 HydrophobicContact CD1-CD2 4.29Å
49N90.3Very high91.4Very high123 Ų12334.4 Ų34.466%0.65818%0.18SC*.  trans-103.2105.5177.8-172.416.2000111.2V51N49-V51 WeakPolarHBondContact O-CG2 3.1Å; N49-V51 PolarHBondContact O-N 3.11Å
50K90.7Very high91.3Very high94 Ų9437.8 Ų37.841%0.40920%0.196SC..SBendtrans52.156.4169.4-61.9172.9-175.9-171.70113.6V42 V43 V44 D92 F93V42-K50 HydrophobicContact CG1-CB 4.17Å; V43-K50 WeakPolarHBondContact O-CA 3.42Å; V43-K50 PolarHBondContact O-N 2.75Å; V44-K50 HydrophobicContact CG2-CB 4.4Å; V44-K50 HydrophobicContact CG2-CG 3.75Å; K50-D92 IonicContact NZ-OD1 3.22Å; K50-D92 PolarHBondContact NZ-OD1 3.22Å; K50-F93 HydrophobicContact CD-CB 3.91Å; K50-F93 HydrophobicContact CD-CD1 3.71Å; K50-F93 HydrophobicContact CD-CD2 4.4Å; K50-F93 HydrophobicContact CD-CE1 4.31Å; K50-F93 HydrophobicContact CD-CG 3.75Å; K50-F93 HydrophobicContact CG-CD1 4.21Å; K50-F93 HydrophobicContact CG-CE1 4.34Å; K50-F93 HydrophobicContact CG-CG 4.29Å
51V91.8Very high91.4Very high62 Ų6239 Ų3938%0.37619%0.194SC..EExtended strand (participates in β ladder)trans-108.4131.4-178.9-170.20000111.6V43 I48 N49 M53V43-V51 PolarHBondContact N-O 3.41Å; V43-V51 PolarHBondContact O-N 3.2Å; I48-V51 HydrophobicContact CG2-CB 3.85Å; I48-V51 HydrophobicContact CG2-CG2 3.66Å; N49-V51 WeakPolarHBondContact O-CG2 3.1Å; N49-V51 PolarHBondContact O-N 3.11Å; V51-M53 HydrophobicContact CB-CE 3.74Å; V51-M53 HydrophobicContact CG1-CE 3.5Å; V51-M53 HydrophobicContact CG1-CG 4.21Å; V51-M53 HydrophobicContact CG2-CE 4.49Å; V51-M53 PolarHBondContact O-N 3.1Å
52Y91.7Very high91.5Very high111 Ų11139 Ų3944%0.43520%0.195SC..EExtended strand (participates in β ladder)trans-75.8120.4176.4-167.6-105.2000111.4P40 V42 F67P40-Y52 HydrophobicContact CB-CE1 4.29Å; P40-Y52 HydrophobicContact CB-CE2 4.26Å; P40-Y52 VanDerWaalsContact CB-OH 3.31Å; P40-Y52 WeakPolarHBondContact CB-OH 3.38Å; V42-Y52 HydrophobicContact CG2-CD2 4.01Å; Y52-F67 HydrophobicContact CD1-CB 3.86Å; Y52-F67 HydrophobicContact CD1-CD2 4.34Å; Y52-F67 HydrophobicContact CD1-CG 4.05Å; Y52-F67 HydrophobicContact CE1-CB 4.28Å; Y52-F67 AromaticContact CE1-CD2 3.89Å; Y52-F67 HydrophobicContact CE1-CD2 3.89Å; Y52-F67 HydrophobicContact CE1-CE2 4.39Å; Y52-F67 HydrophobicContact CE1-CG 4.03Å
53M93.7Very high91.5Very high4 Ų439.8 Ų39.82%0.0220%0.196CC..EExtended strand (participates in β ladder)trans-143.5173.3-174.3-65.2-171.8-178.400110.5P40 C41 V43 I48 V51 L64 T65 L222P40-M53 CarbonylContact C-O 3.52Å; P40-M53 WeakPolarHBondContact CA-O 3.38Å; C41-M53 PolarHBondContact N-O 3.43Å; C41-M53 PolarHBondContact O-N 3.43Å; V43-M53 HydrophobicContact CG2-CB 3.95Å; V43-M53 HydrophobicContact CG2-CG 4.33Å; V43-M53 HydrophobicContact CG2-SD 4.25Å; I48-M53 HydrophobicContact CD1-CE 4.47Å; I48-M53 HydrophobicContact CG2-CE 4.26Å; V51-M53 HydrophobicContact CB-CE 3.74Å; V51-M53 HydrophobicContact CG1-CE 3.5Å; V51-M53 HydrophobicContact CG1-CG 4.21Å; V51-M53 HydrophobicContact CG2-CE 4.49Å; V51-M53 PolarHBondContact O-N 3.1Å; M53-L64 HydrophobicContact SD-CB 4.04Å; M53-L64 HydrophobicContact SD-CD1 4.24Å; M53-T65 CarbonylContact C-O 3.56Å; M53-T65 WeakPolarHBondContact CA-O 3.36Å; M53-T65 VanDerWaalsContact CB-O 3.32Å; M53-T65 WeakPolarHBondContact CB-O 3.18Å; M53-L222 HydrophobicContact CE-CD1 3.83Å; M53-L222 HydrophobicContact CE-CD2 3.22Å; M53-L222 HydrophobicContact CE-CG 3.9Å; M53-L222 HydrophobicContact SD-CD1 4.02Å; M53-L222 HydrophobicContact SD-CD2 3.99Å
54Y93Very high91.5Very high13 Ų1339.8 Ų39.85%0.05120%0.196CC..EExtended strand (participates in β ladder)trans-95.7128.7159.7-64.8-82.6000109.9N16 L19 E39 P40 L64 T65 F67N16-Y54 PolarHBondContact ND2-OH 3.27Å; L19-Y54 HydrophobicContact CD1-CD2 4.26Å; L19-Y54 HydrophobicContact CD1-CG 4.48Å; L19-Y54 HydrophobicContact CD2-CD1 3.5Å; L19-Y54 HydrophobicContact CD2-CD2 4.01Å; L19-Y54 HydrophobicContact CD2-CE1 3.78Å; L19-Y54 HydrophobicContact CD2-CE2 4.24Å; L19-Y54 HydrophobicContact CD2-CG 3.61Å; E39-Y54 WeakPolarHBondContact O-CA 3.47Å; P40-Y54 HydrophobicContact CB-CD1 3.91Å; P40-Y54 HydrophobicContact CB-CE1 3.81Å; P40-Y54 HydrophobicContact CG-CE1 4.26Å; Y54-L64 WeakPolarHBondContact O-CA 3.36Å; Y54-T65 HydrophobicContact CD2-CG2 4.1Å; Y54-T65 HydrophobicContact CG-CG2 4.34Å; Y54-T65 PolarHBondContact N-O 3Å; Y54-T65 PolarHBondContact O-N 2.87Å; Y54-F67 HydrophobicContact CD2-CD2 4.49Å; Y54-F67 AromaticContact CE2-CD2 3.49Å; Y54-F67 HydrophobicContact CE2-CD2 3.49Å; Y54-F67 VanDerWaalsContact CE2-CD2 3.49Å; Y54-F67 HydrophobicContact CE2-CE2 4.18Å; Y54-F67 HydrophobicContact CE2-CG 4.42Å; Y54-F67 AromaticContact CZ-CD2 3.65Å; Y54-F67 AromaticContact CZ-CE2 3.94Å; Y54-F67 WeakPolarHBondContact OH-CD2 3.4Å; Y54-F67 WeakPolarHBondContact OH-CE2 3.23Å
55A94.6Very high91.4Very high1 Ų138.5 Ų38.51%0.00819%0.188CC..EExtended strand (participates in β ladder)trans-83.3126.2160.500000108.6Y38 E39 L64 L243 L252Y38-A55 CarbonylContact C-O 3.58Å; Y38-A55 WeakPolarHBondContact CA-O 3.46Å; Y38-A55 WeakPolarHBondContact CB-O 3.17Å; E39-A55 PolarHBondContact N-O 2.84Å; E39-A55 PolarHBondContact O-N 3.42Å; A55-L64 HydrophobicContact CB-CD2 4.32Å; A55-L243 HydrophobicContact CB-CD1 4.23Å; A55-L252 HydrophobicContact CB-CD2 4Å
56V93.9Very high91.4Very high0 Ų039.5 Ų39.50%019%0.191CC..EExtended strand (participates in β ladder)trans-118.6119.3178.2-178.20000107.8L23 I35 Y63 T65 L72L23-V56 HydrophobicContact CD1-CG1 4.32Å; L23-V56 HydrophobicContact CD2-CG1 4.29Å; L23-V56 HydrophobicContact CD2-CG2 4.36Å; I35-V56 HydrophobicContact CD1-CG1 4.06Å; I35-V56 HydrophobicContact CG1-CG1 4.32Å; I35-V56 HydrophobicContact CG2-CG1 3.93Å; V56-Y63 PolarHBondContact N-O 3.45Å; V56-Y63 PolarHBondContact O-N 3.06Å; V56-T65 HydrophobicContact CG2-CG2 4.32Å; V56-L72 HydrophobicContact CB-CD1 4.27Å; V56-L72 HydrophobicContact CG2-CD1 4.1Å
57L93.5Very high91.2Very high1 Ų139 Ų391%0.00518%0.183CC..EExtended strand (participates in β ladder)trans-102.4125.3-176179.962.7000110.8R36 T37 V62 H255 L256 C259R36-L57 HydrophobicContact CB-CG 4.47Å; R36-L57 PolarHBondContact N-O 3.37Å; T37-L57 HydrophobicContact CG2-CB 4.06Å; T37-L57 HydrophobicContact CG2-CD2 4.14Å; T37-L57 PolarHBondContact O-N 3.23Å; L57-V62 HydrophobicContact CD1-CG2 3.99Å; L57-H255 VanDerWaalsContact CD2-C 3.41Å; L57-H255 HydrophobicContact CD2-CB 3.63Å; L57-L256 HydrophobicContact CD1-CD2 3.64Å; L57-L256 HydrophobicContact CD1-CG 4.44Å; L57-L256 HydrophobicContact CD2-CD2 4.19Å; L57-L256 HydrophobicContact CD2-CG 4.11Å; L57-L256 HydrophobicContact CG-CD2 4.49Å; L57-C259 HydrophobicContact CD1-CB 4.44Å; L57-C259 HydrophobicContact CD2-CB 4.31Å
58S91.1Very high91.3Very high1 Ų140.2 Ų40.21%0.00719%0.192CC..EExtended strand (participates in β ladder)trans-104.7179.1161.377.20000110.7E60 R61S58-E60 PolarHBondContact O-N 3.29Å; S58-E60 PolarHBondContact OG-N 3.36Å; S58-R61 PolarHBondContact N-O 3.37Å; S58-R61 PolarHBondContact OG-N 3.09Å; S58-R61 PolarHBondContact OG-O 3.35Å
59D86.4Confident91.3Very high11 Ų1141.5 Ų41.56%0.05920%0.201CC..SBendtrans-73.1-4.6174.461.8-23.9000114.6R34 L78R34-D59 WeakPolarHBondContact CB-OD1 3.48Å; R34-D59 IonicContact CZ-OD1 3.91Å; R34-D59 IonicContact CZ-OD2 3.69Å; R34-D59 VanDerWaalsContact CZ-OD2 3.22Å; R34-D59 IonicContact NE-OD1 3.03Å; R34-D59 PolarHBondContact NE-OD1 2.97Å; R34-D59 IonicContact NE-OD2 3.62Å; R34-D59 PolarHBondContact NE-OD2 3.13Å; R34-D59 IonicContact NH2-OD1 3.33Å; R34-D59 PolarHBondContact NH2-OD1 3.08Å; R34-D59 IonicContact NH2-OD2 2.68Å; R34-D59 PolarHBondContact NH2-OD2 2.88Å; D59-L78 WeakPolarHBondContact O-CD1 3.35Å
60E89.3Confident91.2Very high80 Ų8044.5 Ų44.537%0.37420%0.203SC..SBendtrans-126.9-24.9177.4-77.7178.1-162.200114.3R34 S58 L78R34-E60 IonicContact CZ-OE1 3.37Å; R34-E60 IonicContact NH1-OE1 3.41Å; R34-E60 PolarHBondContact NH1-OE1 2.69Å; R34-E60 IonicContact NH1-OE2 3.3Å; R34-E60 IonicContact NH2-OE1 2.68Å; R34-E60 PolarHBondContact NH2-OE1 3.44Å; S58-E60 PolarHBondContact O-N 3.29Å; S58-E60 PolarHBondContact OG-N 3.36Å; E60-L78 WeakPolarHBondContact O-CB 3.37Å; E60-L78 WeakPolarHBondContact O-CG 3.44Å; E60-L78 PolarHBondContact O-N 3.25Å
61R93.3Very high91.1Very high73 Ų7341.3 Ų41.328%0.27519%0.194SC..EExtended strand (participates in β ladder)trans-145.6153.6-169-59.1-171.7-174.4-139.10.4112.6S58 Y63 L76 R77S58-R61 PolarHBondContact N-O 3.37Å; S58-R61 PolarHBondContact OG-N 3.09Å; S58-R61 PolarHBondContact OG-O 3.35Å; R61-Y63 HydrophobicContact CB-CD2 4.21Å; R61-Y63 HydrophobicContact CB-CE2 3.6Å; R61-L76 CarbonylContact C-O 3.58Å; R61-L76 VanDerWaalsContact CA-O 3.24Å; R61-L76 WeakPolarHBondContact CA-O 3.17Å; R61-L76 WeakPolarHBondContact CB-O 3.48Å; R61-R77 HydrophobicContact CG-CG 4.12Å
62V94.8Very high91.1Very high2 Ų240.2 Ų40.21%0.01219%0.186CC..EExtended strand (participates in β ladder)trans-101127.2163.5-173.60000107.8L57 A75 L76 L256L57-V62 HydrophobicContact CD1-CG2 3.99Å; V62-A75 PolarHBondContact O-N 2.94Å; V62-L76 HydrophobicContact CB-CB 4.26Å; V62-L76 HydrophobicContact CG2-CD2 4.14Å; V62-L76 PolarHBondContact N-O 3.1Å; V62-L76 PolarHBondContact O-N 3.43Å; V62-L256 HydrophobicContact CG2-CD2 3.65Å
63Y94.6Very high91.1Very high30 Ų3035.6 Ų35.612%0.11817%0.169CC..EExtended strand (participates in β ladder)trans-111.5153.9174.8-57.6-98.5000110.4L31 V56 R61 L72 T73 A74L31-Y63 HydrophobicContact CD1-CE2 4.03Å; L31-Y63 WeakPolarHBondContact CD1-OH 3.3Å; L31-Y63 HydrophobicContact CD2-CE1 4.43Å; L31-Y63 HydrophobicContact CD2-CE2 4.49Å; V56-Y63 PolarHBondContact N-O 3.45Å; V56-Y63 PolarHBondContact O-N 3.06Å; R61-Y63 HydrophobicContact CB-CD2 4.21Å; R61-Y63 HydrophobicContact CB-CE2 3.6Å; Y63-L72 HydrophobicContact CD1-CD2 4.01Å; Y63-L72 HydrophobicContact CD1-CG 3.86Å; Y63-L72 HydrophobicContact CE1-CD2 4.48Å; Y63-L72 HydrophobicContact CG-CD1 4.2Å; Y63-L72 HydrophobicContact CG-CD2 4.16Å; Y63-L72 HydrophobicContact CG-CG 4.02Å; Y63-T73 CarbonylContact C-O 3.55Å; Y63-T73 VanDerWaalsContact CA-O 3.24Å; Y63-T73 WeakPolarHBondContact CA-O 3.32Å; Y63-A74 HydrophobicContact CD1-CB 3.91Å; Y63-A74 HydrophobicContact CE1-CB 3.87Å
64L94.8Very high90.9Very high0 Ų037.4 Ų37.40%018%0.184CC..EExtended strand (participates in β ladder)trans-120.9141.7174-62.7175.5000109.8V43 I48 M53 Y54 A55 T73 A75 L243V43-L64 HydrophobicContact CG1-CD1 3.87Å; V43-L64 HydrophobicContact CG2-CD1 4.34Å; V43-L64 HydrophobicContact CG2-CD2 3.77Å; I48-L64 HydrophobicContact CD1-CD1 3.97Å; M53-L64 HydrophobicContact SD-CB 4.04Å; M53-L64 HydrophobicContact SD-CD1 4.24Å; Y54-L64 WeakPolarHBondContact O-CA 3.36Å; A55-L64 HydrophobicContact CB-CD2 4.32Å; L64-T73 PolarHBondContact N-O 3.03Å; L64-T73 PolarHBondContact O-N 3.38Å; L64-A75 HydrophobicContact CD1-CB 3.67Å; L64-A75 HydrophobicContact CG-CB 3.71Å; L64-L243 HydrophobicContact CD2-CD2 4.47Å
65T92.8Very high90.8Very high0 Ų037.6 Ų37.60%019%0.188CC..EExtended strand (participates in β ladder)trans-139.9142.9170.4-170.70000110.8L19 M53 Y54 V56 P69 A71L19-T65 HydrophobicContact CD1-CG2 3.89Å; M53-T65 CarbonylContact C-O 3.56Å; M53-T65 WeakPolarHBondContact CA-O 3.36Å; M53-T65 VanDerWaalsContact CB-O 3.32Å; M53-T65 WeakPolarHBondContact CB-O 3.18Å; Y54-T65 HydrophobicContact CD2-CG2 4.1Å; Y54-T65 HydrophobicContact CG-CG2 4.34Å; Y54-T65 PolarHBondContact N-O 3Å; Y54-T65 PolarHBondContact O-N 2.87Å; V56-T65 HydrophobicContact CG2-CG2 4.32Å; T65-P69 HydrophobicContact CG2-CB 4.18Å; T65-P69 WeakPolarHBondContact OG1-CB 3.45Å; T65-A71 WeakPolarHBondContact CA-O 3.03Å; T65-A71 WeakPolarHBondContact CB-O 3.36Å; T65-A71 PolarHBondContact OG1-O 3.02Å
66E90.3Very high90.7Very high38 Ų3838 Ų3818%0.17819%0.19CC..EExtended strand (participates in β ladder)trans-65.4167.2-176.8-61119.7162.500112.6P68 P69 R70 L222E66-P68 CarbonylContact C-O 3.53Å; E66-P68 CarbonylContact O-C 3.48Å; E66-P69 WeakPolarHBondContact O-CA 3.35Å; E66-R70 WeakPolarHBondContact OE2-CB 3.42Å; E66-L222 HydrophobicContact CG-CD1 3.6Å; E66-L222 HydrophobicContact CG-CG 4.29Å; E66-L222 WeakPolarHBondContact OE1-CD1 3.43Å
67F83.6Confident90.6Very high119 Ų11942 Ų4252%0.52221%0.205SC..SBendtrans-109110.8166.8-170.7-82.7000109.6Y52 Y54Y52-F67 HydrophobicContact CD1-CB 3.86Å; Y52-F67 HydrophobicContact CD1-CD2 4.34Å; Y52-F67 HydrophobicContact CD1-CG 4.05Å; Y52-F67 HydrophobicContact CE1-CB 4.28Å; Y52-F67 AromaticContact CE1-CD2 3.89Å; Y52-F67 HydrophobicContact CE1-CD2 3.89Å; Y52-F67 HydrophobicContact CE1-CE2 4.39Å; Y52-F67 HydrophobicContact CE1-CG 4.03Å; Y54-F67 HydrophobicContact CD2-CD2 4.49Å; Y54-F67 AromaticContact CE2-CD2 3.49Å; Y54-F67 HydrophobicContact CE2-CD2 3.49Å; Y54-F67 VanDerWaalsContact CE2-CD2 3.49Å; Y54-F67 HydrophobicContact CE2-CE2 4.18Å; Y54-F67 HydrophobicContact CE2-CG 4.42Å; Y54-F67 AromaticContact CZ-CD2 3.65Å; Y54-F67 AromaticContact CZ-CE2 3.94Å; Y54-F67 WeakPolarHBondContact OH-CD2 3.4Å; Y54-F67 WeakPolarHBondContact OH-CE2 3.23Å
68P85.1Confident90.6Very high78 Ų7842 Ų4251%0.50621%0.205SC..SBendcis-73.3157.6-2.931.6-36.2000113.5E66 R70E66-P68 CarbonylContact C-O 3.53Å; E66-P68 CarbonylContact O-C 3.48Å; P68-R70 PolarHBondContact O-N 3.45Å
69P88.2Confident90.5Very high31 Ų3147.2 Ų47.220%0.20123%0.23CC..  trans-70125.6-173.227.7-34.7000112L19 F22 T65 E66L19-P69 HydrophobicContact CD1-CB 4.03Å; L19-P69 HydrophobicContact CD1-CG 4.17Å; F22-P69 HydrophobicContact CB-CB 4.41Å; F22-P69 HydrophobicContact CB-CG 4.14Å; F22-P69 HydrophobicContact CD1-CB 3.75Å; F22-P69 HydrophobicContact CD1-CG 4.38Å; F22-P69 HydrophobicContact CD2-CB 4.14Å; F22-P69 HydrophobicContact CD2-CG 4.47Å; F22-P69 HydrophobicContact CE1-CB 4Å; F22-P69 HydrophobicContact CE2-CB 4.38Å; F22-P69 HydrophobicContact CG-CB 3.83Å; F22-P69 HydrophobicContact CG-CG 4.08Å; F22-P69 HydrophobicContact CZ-CB 4.31Å; T65-P69 HydrophobicContact CG2-CB 4.18Å; T65-P69 WeakPolarHBondContact OG1-CB 3.45Å; E66-P69 WeakPolarHBondContact O-CA 3.35Å
70R88.3Confident90.7Very high186 Ų18649.3 Ų49.370%0.70224%0.237SC*.  trans-122.9-41.1178.4-57.2178.4179.6-158.1-1.5112.6E66 P68E66-R70 WeakPolarHBondContact OE2-CB 3.42Å; P68-R70 PolarHBondContact O-N 3.45Å
71A89Confident90.9Very high26 Ų2645.9 Ų45.922%0.21522%0.222CC..  trans-136.9147176.500000110.6T65T65-A71 WeakPolarHBondContact CA-O 3.03Å; T65-A71 WeakPolarHBondContact CB-O 3.36Å; T65-A71 PolarHBondContact OG1-O 3.02Å
72L91.3Very high90.6Very high40 Ų4046.5 Ų46.521%0.20922%0.224CC..  trans-101.1112.5170.5-171.571.1000108.2F22 L23 T27 V56 Y63F22-L72 HydrophobicContact CE1-CB 4.34Å; L23-L72 HydrophobicContact CD2-CD1 3.99Å; L23-L72 HydrophobicContact CD2-CD2 4.17Å; T27-L72 HydrophobicContact CG2-CD2 3.34Å; V56-L72 HydrophobicContact CB-CD1 4.27Å; V56-L72 HydrophobicContact CG2-CD1 4.1Å; Y63-L72 HydrophobicContact CD1-CD2 4.01Å; Y63-L72 HydrophobicContact CD1-CG 3.86Å; Y63-L72 HydrophobicContact CE1-CD2 4.48Å; Y63-L72 HydrophobicContact CG-CD1 4.2Å; Y63-L72 HydrophobicContact CG-CD2 4.16Å; Y63-L72 HydrophobicContact CG-CG 4.02Å
73T90.9Very high90.4Very high14 Ų1448.1 Ų48.19%0.08623%0.233CC..EExtended strand (participates in β ladder)trans-112.7128.9-177.5-50.90000110.1Y63 L64 A75 L226Y63-T73 CarbonylContact C-O 3.55Å; Y63-T73 VanDerWaalsContact CA-O 3.24Å; Y63-T73 WeakPolarHBondContact CA-O 3.32Å; L64-T73 PolarHBondContact N-O 3.03Å; L64-T73 PolarHBondContact O-N 3.38Å; T73-A75 PolarHBondContact O-N 3.47Å; T73-L226 HydrophobicContact CG2-CD1 3.43Å; T73-L226 VanDerWaalsContact CG2-CD1 3.43Å
74A91Very high90.3Very high41 Ų4146.9 Ų46.934%0.33923%0.228SC..EExtended strand (participates in β ladder)trans-67.8119.2173.800000109.3Y63Y63-A74 HydrophobicContact CD1-CB 3.91Å; Y63-A74 HydrophobicContact CE1-CB 3.87Å
75A91.1Very high90.1Very high17 Ų1750.3 Ų50.314%0.1424%0.244CC..EExtended strand (participates in β ladder)trans-91.8-36.9177.800000111.7V62 L64 T73 L241V62-A75 PolarHBondContact O-N 2.94Å; L64-A75 HydrophobicContact CD1-CB 3.67Å; L64-A75 HydrophobicContact CG-CB 3.71Å; T73-A75 PolarHBondContact O-N 3.47Å; A75-L241 HydrophobicContact CB-CD2 4.3Å
76L91.1Very high90Very high9 Ų953.5 Ų53.55%0.04726%0.261CS..EExtended strand (participates in β ladder)trans-154.4143.7-170.9169.470.1000111.2R61 V62 V81 I107 Y109R61-L76 CarbonylContact C-O 3.58Å; R61-L76 VanDerWaalsContact CA-O 3.24Å; R61-L76 WeakPolarHBondContact CA-O 3.17Å; R61-L76 WeakPolarHBondContact CB-O 3.48Å; V62-L76 HydrophobicContact CB-CB 4.26Å; V62-L76 HydrophobicContact CG2-CD2 4.14Å; V62-L76 PolarHBondContact N-O 3.1Å; V62-L76 PolarHBondContact O-N 3.43Å; L76-V81 HydrophobicContact CD1-CG2 3.94Å; L76-V81 HydrophobicContact CD2-CG2 3.63Å; L76-V81 HydrophobicContact CG-CG2 3.98Å; L76-I107 HydrophobicContact CD2-CB 4.34Å; L76-I107 HydrophobicContact CD2-CD1 4.2Å; L76-I107 HydrophobicContact CD2-CG2 3.44Å; L76-I107 VanDerWaalsContact CD2-CG2 3.44Å; L76-Y109 VanDerWaalsContact CD1-CB 3.42Å; L76-Y109 HydrophobicContact CD1-CD1 3.89Å; L76-Y109 HydrophobicContact CD1-CD2 3.51Å; L76-Y109 HydrophobicContact CD1-CE2 4.19Å; L76-Y109 HydrophobicContact CD1-CG 3.33Å
77R92.6Very high90Very high84 Ų8453.7 Ų53.732%0.31726%0.264SS..EExtended strand (participates in β ladder)trans-100.2133.2167-65.6172.166.2172.9-2109.6R61 E79 R80 E112R61-R77 HydrophobicContact CG-CG 4.12Å; R77-E79 HydrophobicContact CB-CB 4.49Å; R77-E79 IonicContact CZ-OE2 2.85Å; R77-E79 IonicContact NE-OE2 2.9Å; R77-E79 IonicContact NH2-OE2 3.12Å; R77-E79 PolarHBondContact NH2-OE2 3.02Å; R77-E79 PolarHBondContact O-N 3.37Å; R77-R80 HydrophobicContact CB-CG 4.39Å; R77-R80 PolarHBondContact O-N 3.4Å; R77-E112 WeakPolarHBondContact CD-OE1 3.38Å; R77-E112 IonicContact NH1-OE1 3.38Å; R77-E112 PolarHBondContact NH1-OE1 3.06Å
78L92.4Very high90.1Very high1 Ų155.6 Ų55.61%0.00528%0.28CS..G310 helixtrans-59.9-27.5178.9-66.8-178.6000112.7D59 E60 R80 V81 C259 W260 F263D59-L78 WeakPolarHBondContact O-CD1 3.35Å; E60-L78 WeakPolarHBondContact O-CB 3.37Å; E60-L78 WeakPolarHBondContact O-CG 3.44Å; E60-L78 PolarHBondContact O-N 3.25Å; L78-R80 PolarHBondContact O-N 2.82Å; L78-R80 VanDerWaalsContact O-N 3.1Å; L78-V81 HydrophobicContact CD2-CG2 4.27Å; L78-V81 WeakPolarHBondContact O-CB 3.31Å; L78-V81 PolarHBondContact O-N 2.97Å; L78-C259 HydrophobicContact CD1-CB 3.93Å; L78-W260 HydrophobicContact CD2-CB 4.41Å; L78-F263 HydrophobicContact CB-CB 4.19Å; L78-F263 HydrophobicContact CB-CD1 4.1Å; L78-F263 HydrophobicContact CB-CD2 4.05Å; L78-F263 HydrophobicContact CB-CG 3.81Å; L78-F263 HydrophobicContact CD1-CB 4.15Å
79E90.8Very high90.3Very high112 Ų11254.8 Ų54.852%0.52327%0.271SS..G310 helixtrans-52.3-29.7172-169.7-179.3170.600114.3R77 F263R77-E79 HydrophobicContact CB-CB 4.49Å; R77-E79 IonicContact CZ-OE2 2.85Å; R77-E79 IonicContact NE-OE2 2.9Å; R77-E79 IonicContact NH2-OE2 3.12Å; R77-E79 PolarHBondContact NH2-OE2 3.02Å; R77-E79 PolarHBondContact O-N 3.37Å; E79-F263 HydrophobicContact CB-CE1 3.96Å; E79-F263 HydrophobicContact CB-CE2 4.36Å; E79-F263 HydrophobicContact CB-CZ 3.49Å; E79-F263 VanDerWaalsContact CB-CZ 3.49Å; E79-F263 HydrophobicContact CG-CE1 4.42Å; E79-F263 HydrophobicContact CG-CZ 3.98Å
80R90.3Very high90.1Very high54 Ų5459.4 Ų59.420%0.20429%0.294CS..G310 helixtrans-105.9-2.7-170.6-51.8-15769.6-155.5-2.4113.1R77 L78 R82 Y109 I110 P111R77-R80 HydrophobicContact CB-CG 4.39Å; R77-R80 PolarHBondContact O-N 3.4Å; L78-R80 PolarHBondContact O-N 2.82Å; L78-R80 VanDerWaalsContact O-N 3.1Å; R80-R82 PolarHBondContact O-N 3.12Å; R80-Y109 CarbonylContact O-C 3.56Å; R80-Y109 VanDerWaalsContact O-CA 3.22Å; R80-Y109 WeakPolarHBondContact O-CA 3.48Å; R80-Y109 WeakPolarHBondContact O-CB 3.41Å; R80-I110 PolarHBondContact NE-O 2.68Å; R80-I110 PolarHBondContact NH1-O 2.67Å; R80-I110 PolarHBondContact NH2-O 3.25Å; R80-I110 PolarHBondContact O-N 2.98Å; R80-P111 PolarHBondContact NH1-O 3.26Å; R80-P111 PolarHBondContact NH2-O 3.45Å
81V92.3Very high90.1Very high9 Ų950.8 Ų50.86%0.05526%0.262CS..EExtended strand (participates in β ladder)trans-67.7130.1176.3175.80000109.2L76 L78 I84 I107 W260L76-V81 HydrophobicContact CD1-CG2 3.94Å; L76-V81 HydrophobicContact CD2-CG2 3.63Å; L76-V81 HydrophobicContact CG-CG2 3.98Å; L78-V81 HydrophobicContact CD2-CG2 4.27Å; L78-V81 WeakPolarHBondContact O-CB 3.31Å; L78-V81 PolarHBondContact O-N 2.97Å; V81-I84 HydrophobicContact CG1-CD1 4.08Å; V81-I84 HydrophobicContact CG1-CG1 3.63Å; V81-I107 HydrophobicContact CG1-CG2 4.09Å; V81-I107 HydrophobicContact CG2-CG2 3.99Å; V81-W260 HydrophobicContact CB-CG 4.47Å; V81-W260 HydrophobicContact CB-CZ2 4.49Å; V81-W260 HydrophobicContact CG1-CD2 3.86Å; V81-W260 HydrophobicContact CG1-CE3 4.45Å; V81-W260 HydrophobicContact CG1-CG 4.16Å; V81-W260 HydrophobicContact CG1-CH2 4.47Å; V81-W260 HydrophobicContact CG1-CZ2 3.88Å
82R88.1Confident90.1Very high85 Ų8555 Ų5532%0.32128%0.281SS..EExtended strand (participates in β ladder)trans-99.9-35.8172.4-64.9-53.5-165.7-1740.1111.3R80 S108 I110 W260 R562R80-R82 PolarHBondContact O-N 3.12Å; R82-S108 PolarHBondContact N-O 3.21Å; R82-I110 HydrophobicContact CG-CG1 4.13Å; R82-I110 VanDerWaalsContact CZ-CD1 3.5Å; R82-W260 WeakPolarHBondContact O-CH2 3.23Å; R82-R562 VanDerWaalsContact O-CZ 3.31Å; R82-R562 PolarHBondContact O-NH1 3.48Å; R82-R562 PolarHBondContact O-NH2 2.98Å
83D89.7Confident90Very high37 Ų3756 Ų5620%0.19828%0.283CS..EExtended strand (participates in β ladder)trans-156.6156.1177.7-148.44.6000113.3I107 S108 R562D83-I107 WeakPolarHBondContact O-CA 3.5Å; D83-S108 PolarHBondContact N-O 3.09Å; D83-S108 PolarHBondContact O-N 2.84Å; D83-R562 IonicContact OD1-NH1 3.24Å; D83-R562 PolarHBondContact OD1-NH1 3.02Å; D83-R562 IonicContact OD2-CZ 2.7Å; D83-R562 IonicContact OD2-NH1 2.98Å; D83-R562 PolarHBondContact OD2-NH1 3.24Å
84I92Very high89.9Confident4 Ų456.1 Ų56.12%0.02128%0.283CS..EExtended strand (participates in β ladder)trans-135.9111.5173.5-50.9-178.6000108.2V81 I105 R106 I107 Y253 L256 Q257 W260V81-I84 HydrophobicContact CG1-CD1 4.08Å; V81-I84 HydrophobicContact CG1-CG1 3.63Å; I84-I105 HydrophobicContact CG2-CG2 3.97Å; I84-R106 WeakPolarHBondContact CA-O 3.33Å; I84-I107 HydrophobicContact CG1-CG2 4.29Å; I84-I107 HydrophobicContact CG2-CG1 4.28Å; I84-Y253 HydrophobicContact CG2-CD2 4.01Å; I84-Y253 HydrophobicContact CG2-CE2 3.84Å; I84-L256 HydrophobicContact CD1-CB 4.28Å; I84-L256 HydrophobicContact CG2-CB 4.44Å; I84-Q257 HydrophobicContact CG2-CG 4.41Å; I84-W260 HydrophobicContact CB-CE3 4.46Å; I84-W260 HydrophobicContact CD1-CB 3.67Å; I84-W260 HydrophobicContact CD1-CD2 4.02Å; I84-W260 HydrophobicContact CD1-CE3 3.89Å; I84-W260 HydrophobicContact CD1-CG 3.95Å; I84-W260 HydrophobicContact CG1-CD2 4.26Å; I84-W260 HydrophobicContact CG1-CE3 3.89Å; I84-W260 HydrophobicContact CG1-CZ3 4.36Å
85E91.2Very high89.7Confident72 Ų7257 Ų5734%0.33629%0.287SS..EExtended strand (participates in β ladder)trans-122.6148.4-174.8-64.1-172.1145.200111.6I105 R106E85-I105 WeakPolarHBondContact O-CA 3.43Å; E85-R106 PolarHBondContact N-O 3.42Å; E85-R106 PolarHBondContact O-N 2.87Å; E85-R106 IonicContact OE2-CZ 3.81Å; E85-R106 IonicContact OE2-NE 3.3Å; E85-R106 IonicContact OE2-NH2 3.96Å; E85-R106 PolarHBondContact OE2-NH2 3.33Å
86L90.1Very high89.2Confident67 Ų6760.3 Ų60.335%0.35131%0.309SS..EExtended strand (participates in β ladder)trans-94.3116166.1-170.174.4000107.4Q103 H104 I105 Y253L86-Q103 HydrophobicContact CD1-CB 4.16Å; L86-H104 WeakPolarHBondContact CA-O 3.19Å; L86-H104 WeakPolarHBondContact CD1-O 3.37Å; L86-I105 HydrophobicContact CD1-CG1 4.3Å; L86-Y253 HydrophobicContact CB-CD1 4.18Å; L86-Y253 HydrophobicContact CB-CE1 3.69Å; L86-Y253 HydrophobicContact CB-CE2 4.39Å; L86-Y253 HydrophobicContact CD1-CD1 4.21Å; L86-Y253 HydrophobicContact CD1-CG 4.41Å; L86-Y253 HydrophobicContact CD2-CD1 4.47Å; L86-Y253 HydrophobicContact CD2-CE1 4.38Å; L86-Y253 HydrophobicContact CG-CE1 4.44Å
87V90.9Very high88.8Confident42 Ų4267.6 Ų67.626%0.25534%0.341SS..EExtended strand (participates in β ladder)trans-90.7131.1-178.8-179.70000108.5D89 H104 R106V87-D89 HydrophobicContact CG1-CB 4.14Å; V87-D89 PolarHBondContact O-N 3.3Å; V87-H104 HydrophobicContact CB-CB 4.32Å; V87-H104 WeakPolarHBondContact CB-ND1 3.15Å; V87-H104 PolarHBondContact N-O 2.96Å; V87-R106 HydrophobicContact CG2-CB 3.63Å
88N86.1Confident88.4Confident159 Ų15966.5 Ų66.585%0.8534%0.341SS*.  trans-9184175.3-66.5-33.5000109.1
89D88.2Confident88.1Confident61 Ų6170.5 Ų70.533%0.32636%0.356SS..  trans-133.6167.4174.968.3-19.1000112.1V87 H104V87-D89 HydrophobicContact CG1-CB 4.14Å; V87-D89 PolarHBondContact O-N 3.3Å; D89-H104 VanDerWaalsContact OD1-CB 3.23Å; D89-H104 WeakPolarHBondContact OD1-CB 3.45Å; D89-H104 IonicContact OD1-CE1 3.5Å; D89-H104 IonicContact OD1-CG 3.24Å; D89-H104 IonicContact OD1-ND1 2.71Å; D89-H104 PolarHBondContact OD1-ND1 3.48Å; D89-H104 IonicContact OD2-CE1 2.83Å; D89-H104 PolarHBondContact OD2-CE1 2.98Å; D89-H104 IonicContact OD2-CG 3.64Å; D89-H104 IonicContact OD2-ND1 2.58Å; D89-H104 PolarHBondContact OD2-ND1 3.16Å
90L85.9Confident87.8Confident127 Ų12772.3 Ų72.367%0.66537%0.365SS*.  trans-117.694.2175.7-67175.2000108.3D92 R99L90-D92 PolarHBondContact O-N 3.18Å; L90-R99 HydrophobicContact CD2-CB 4.32Å
91P88.1Confident87.4Confident6 Ų676.1 Ų76.14%0.03938%0.379CS..  trans-62.8121.5-174.623.5-34.5000111.6F93 L94 R99 C102 Y244P91-F93 HydrophobicContact CB-CD1 3.87Å; P91-F93 HydrophobicContact CB-CE1 3.38Å; P91-F93 HydrophobicContact CB-CE2 4.13Å; P91-F93 HydrophobicContact CB-CG 4.46Å; P91-F93 HydrophobicContact CB-CZ 3.52Å; P91-F93 HydrophobicContact CG-CZ 4.39Å; P91-F93 PolarHBondContact O-N 3.47Å; P91-L94 HydrophobicContact CB-CD1 4.48Å; P91-L94 HydrophobicContact CB-CG 4.3Å; P91-L94 HydrophobicContact CG-CB 4.26Å; P91-L94 HydrophobicContact CG-CD1 3.54Å; P91-L94 HydrophobicContact CG-CG 3.82Å; P91-L94 PolarHBondContact O-N 3.44Å; P91-L94 VanDerWaalsContact O-N 3.15Å; P91-R99 WeakPolarHBondContact O-CD 3.4Å; P91-R99 VanDerWaalsContact O-CG 3.3Å; P91-R99 WeakPolarHBondContact O-CG 3.45Å; P91-R99 PolarHBondContact O-NE 3.26Å; P91-R99 VanDerWaalsContact O-NE 3.1Å; P91-C102 HydrophobicContact CG-CB 4.41Å; P91-Y244 HydrophobicContact CB-CD1 4.07Å; P91-Y244 HydrophobicContact CB-CE1 3.91Å; P91-Y244 HydrophobicContact CG-CD1 3.97Å; P91-Y244 HydrophobicContact CG-CE1 4.2Å
92D88.1Confident87.3Confident113 Ų11376.8 Ų76.860%0.60438%0.384SS*.THydrogen-bonded Turntrans-61.3-25.4-177.167.1-19.1000113.8K50 L90 L94 R99K50-D92 IonicContact NZ-OD1 3.22Å; K50-D92 PolarHBondContact NZ-OD1 3.22Å; L90-D92 PolarHBondContact O-N 3.18Å; D92-L94 VanDerWaalsContact C-N 3.35Å; D92-R99 PolarHBondContact O-NH2 2.89Å
93F90.2Very high87.4Confident61 Ų6174.7 Ų74.727%0.26838%0.378SS..THydrogen-bonded Turntrans-81.9-9-179.760.3-94.6000114.3V42 K50 P91 Y244V42-F93 HydrophobicContact CB-CE2 4.19Å; V42-F93 HydrophobicContact CG1-CE2 3.83Å; V42-F93 HydrophobicContact CG1-CZ 4.43Å; V42-F93 HydrophobicContact CG2-CE2 4.46Å; K50-F93 HydrophobicContact CD-CB 3.91Å; K50-F93 HydrophobicContact CD-CD1 3.71Å; K50-F93 HydrophobicContact CD-CD2 4.4Å; K50-F93 HydrophobicContact CD-CE1 4.31Å; K50-F93 HydrophobicContact CD-CG 3.75Å; K50-F93 HydrophobicContact CG-CD1 4.21Å; K50-F93 HydrophobicContact CG-CE1 4.34Å; K50-F93 HydrophobicContact CG-CG 4.29Å; P91-F93 HydrophobicContact CB-CD1 3.87Å; P91-F93 HydrophobicContact CB-CE1 3.38Å; P91-F93 HydrophobicContact CB-CE2 4.13Å; P91-F93 HydrophobicContact CB-CG 4.46Å; P91-F93 HydrophobicContact CB-CZ 3.52Å; P91-F93 HydrophobicContact CG-CZ 4.39Å; P91-F93 PolarHBondContact O-N 3.47Å; F93-Y244 HydrophobicContact CE1-CE1 4.26Å; F93-Y244 HydrophobicContact CE1-CE2 4.28Å; F93-Y244 HydrophobicContact CE2-CD2 4.5Å; F93-Y244 HydrophobicContact CE2-CG 4.37Å; F93-Y244 AromaticContact CZ-CD1 3.83Å; F93-Y244 HydrophobicContact CZ-CD1 3.83Å; F93-Y244 AromaticContact CZ-CD2 3.72Å; F93-Y244 HydrophobicContact CZ-CD2 3.72Å; F93-Y244 AromaticContact CZ-CE1 3.9Å; F93-Y244 HydrophobicContact CZ-CE1 3.9Å; F93-Y244 AromaticContact CZ-CE2 3.78Å; F93-Y244 HydrophobicContact CZ-CE2 3.78Å; F93-Y244 AromaticContact CZ-CG 3.73Å; F93-Y244 HydrophobicContact CZ-CG 3.73Å; F93-Y244 AromaticContact CZ-CZ 3.87Å
94L88.6Confident87.6Confident17 Ų1773.3 Ų73.39%0.08937%0.37CS..SBendtrans-91.3155173.6-65.3-172.1000111.3V42 P91 D92 D98 R99 C102 V246V42-L94 HydrophobicContact CG2-CD2 4.38Å; P91-L94 HydrophobicContact CB-CD1 4.48Å; P91-L94 HydrophobicContact CB-CG 4.3Å; P91-L94 HydrophobicContact CG-CB 4.26Å; P91-L94 HydrophobicContact CG-CD1 3.54Å; P91-L94 HydrophobicContact CG-CG 3.82Å; P91-L94 PolarHBondContact O-N 3.44Å; P91-L94 VanDerWaalsContact O-N 3.15Å; D92-L94 VanDerWaalsContact C-N 3.35Å; L94-D98 HydrophobicContact CB-CB 4.1Å; L94-D98 HydrophobicContact CD1-CB 4.44Å; L94-R99 HydrophobicContact CB-CG 3.74Å; L94-R99 PolarHBondContact O-NE 2.89Å; L94-R99 PolarHBondContact O-NH2 3.27Å; L94-C102 HydrophobicContact CD1-CB 3.65Å; L94-V246 HydrophobicContact CD1-CG2 3.85Å; L94-V246 HydrophobicContact CD2-CG2 4.19Å
95S86.9Confident87.7Confident59 Ų5973.1 Ų73.141%0.41337%0.369SS..  trans-67.9155.7172.782.30000110.8K97 D98 R99S95-K97 PolarHBondContact O-N 3.09Å; S95-K97 VanDerWaalsContact O-N 3.11Å; S95-D98 CarbonylContact O-C 3.34Å; S95-D98 WeakPolarHBondContact O-CA 3.22Å; S95-D98 PolarHBondContact O-N 3.27Å; S95-D98 PolarHBondContact OG-N 3.42Å; S95-D98 PolarHBondContact OG-OD2 2.88Å; S95-R99 WeakPolarHBondContact O-CG 3.29Å; S95-R99 PolarHBondContact O-N 2.93Å
96S79.8Confident87.9Confident87 Ų8773.1 Ų73.161%0.60837%0.366SS*.Hα-helixtrans-53.1-38.5-176.9-48.90000113.5
97K82.8Confident88.2Confident162 Ų16270 Ų7070%0.70435%0.349SS*.Hα-helixtrans-70.1-34.3176.9-67-175.1179.2-1800112.9S95 R101S95-K97 PolarHBondContact O-N 3.09Å; S95-K97 VanDerWaalsContact O-N 3.11Å; K97-R101 WeakPolarHBondContact O-CD 3.18Å; K97-R101 VanDerWaalsContact O-CG 3.31Å; K97-R101 WeakPolarHBondContact O-CG 2.99Å
98D84.4Confident88.3Confident61 Ų6168.7 Ų68.733%0.32634%0.342SS..Hα-helixtrans-79.5-31.9-179.7-63.8-34.7000111.6L94 S95 E100 R101 C102 V246L94-D98 HydrophobicContact CB-CB 4.1Å; L94-D98 HydrophobicContact CD1-CB 4.44Å; S95-D98 CarbonylContact O-C 3.34Å; S95-D98 WeakPolarHBondContact O-CA 3.22Å; S95-D98 PolarHBondContact O-N 3.27Å; S95-D98 PolarHBondContact OG-N 3.42Å; S95-D98 PolarHBondContact OG-OD2 2.88Å; D98-E100 PolarHBondContact O-N 2.9Å; D98-R101 CarbonylContact O-C 3.54Å; D98-R101 PolarHBondContact O-N 3.24Å; D98-R101 VanDerWaalsContact O-N 3.11Å; D98-C102 WeakPolarHBondContact O-CB 3.19Å; D98-C102 PolarHBondContact O-N 3.35Å; D98-V246 HydrophobicContact CB-CG1 3.56Å; D98-V246 WeakPolarHBondContact OD1-CG1 3.32Å
99R85.7Confident88.6Confident85 Ų8562.1 Ų62.132%0.32131%0.306SS..Hα-helixtrans-57.5-47174.9-73-180-166.8-176.45.4111.9L90 P91 D92 L94 S95 R101 C102L90-R99 HydrophobicContact CD2-CB 4.32Å; P91-R99 WeakPolarHBondContact O-CD 3.4Å; P91-R99 VanDerWaalsContact O-CG 3.3Å; P91-R99 WeakPolarHBondContact O-CG 3.45Å; P91-R99 PolarHBondContact O-NE 3.26Å; P91-R99 VanDerWaalsContact O-NE 3.1Å; D92-R99 PolarHBondContact O-NH2 2.89Å; L94-R99 HydrophobicContact CB-CG 3.74Å; L94-R99 PolarHBondContact O-NE 2.89Å; L94-R99 PolarHBondContact O-NH2 3.27Å; S95-R99 WeakPolarHBondContact O-CG 3.29Å; S95-R99 PolarHBondContact O-N 2.93Å; R99-R101 PolarHBondContact O-N 3.09Å; R99-C102 PolarHBondContact O-N 3.03Å
100E83.6Confident88.7Confident151 Ų15160 Ų6071%0.70630%0.295SS*.THydrogen-bonded Turntrans-67.3-16.7178.7-66.7174.4-174.500113.6D98D98-E100 PolarHBondContact O-N 2.9Å
101R83.8Confident88.5Confident133 Ų13355.1 Ų55.150%0.50227%0.27SS..THydrogen-bonded Turntrans-107.5-3-176.8-63-178.4173.6-168.4-2.8112.9K97 D98 R99 V246 S247 Q248K97-R101 WeakPolarHBondContact O-CD 3.18Å; K97-R101 VanDerWaalsContact O-CG 3.31Å; K97-R101 WeakPolarHBondContact O-CG 2.99Å; D98-R101 CarbonylContact O-C 3.54Å; D98-R101 PolarHBondContact O-N 3.24Å; D98-R101 VanDerWaalsContact O-N 3.11Å; R99-R101 PolarHBondContact O-N 3.09Å; R101-V246 HydrophobicContact CB-CG1 4.49Å; R101-S247 CarbonylContact O-C 3.51Å; R101-S247 PolarHBondContact O-N 2.93Å; R101-S247 VanDerWaalsContact O-N 3.17Å; R101-Q248 HydrophobicContact CB-CG 3.92Å; R101-Q248 HydrophobicContact CG-CG 3.84Å
102C88.6Confident87.8Confident23 Ų2359.4 Ų59.416%0.15529%0.29CS..EExtended strand (participates in β ladder)trans-81.3128.8-173.7-1760000110.8P91 L94 D98 R99 V245P91-C102 HydrophobicContact CG-CB 4.41Å; L94-C102 HydrophobicContact CD1-CB 3.65Å; D98-C102 WeakPolarHBondContact O-CB 3.19Å; D98-C102 PolarHBondContact O-N 3.35Å; R99-C102 PolarHBondContact O-N 3.03Å; C102-V245 CarbonylContact C-O 3.6Å; C102-V245 WeakPolarHBondContact CA-O 3.38Å
103Q90.7Very high86.5Confident41 Ų4162.9 Ų62.919%0.19230%0.295CS..EExtended strand (participates in β ladder)trans-97115.3161.8-61.9-172.921.100108.3L86 V245 S247 S250L86-Q103 HydrophobicContact CD1-CB 4.16Å; Q103-V245 HydrophobicContact CB-CB 4.49Å; Q103-V245 PolarHBondContact N-O 2.99Å; Q103-V245 PolarHBondContact O-N 3.38Å; Q103-S247 PolarHBondContact NE2-O 3.35Å; Q103-S250 PolarHBondContact NE2-O 2.81Å
104H93.2Very high84.8Confident8 Ų863.9 Ų63.94%0.03731%0.307CS..EExtended strand (participates in β ladder)trans-94.1111.1173.5176.2-170000110L86 V87 D89 H242 Y244L86-H104 WeakPolarHBondContact CA-O 3.19Å; L86-H104 WeakPolarHBondContact CD1-O 3.37Å; V87-H104 HydrophobicContact CB-CB 4.32Å; V87-H104 WeakPolarHBondContact CB-ND1 3.15Å; V87-H104 PolarHBondContact N-O 2.96Å; D89-H104 VanDerWaalsContact OD1-CB 3.23Å; D89-H104 WeakPolarHBondContact OD1-CB 3.45Å; D89-H104 IonicContact OD1-CE1 3.5Å; D89-H104 IonicContact OD1-CG 3.24Å; D89-H104 IonicContact OD1-ND1 2.71Å; D89-H104 PolarHBondContact OD1-ND1 3.48Å; D89-H104 IonicContact OD2-CE1 2.83Å; D89-H104 PolarHBondContact OD2-CE1 2.98Å; D89-H104 IonicContact OD2-CG 3.64Å; D89-H104 IonicContact OD2-ND1 2.58Å; D89-H104 PolarHBondContact OD2-ND1 3.16Å; H104-H242 AromaticContact CE1-ND1 3.6Å; H104-H242 AromaticContact NE2-CG 3.64Å; H104-H242 AromaticContact NE2-ND1 2.89Å; H104-H242 PolarHBondContact NE2-ND1 2.82Å; H104-Y244 HydrophobicContact CB-CD1 3.84Å; H104-Y244 HydrophobicContact CB-CE1 3.86Å; H104-Y244 AromaticContact CD2-CE1 3.68Å; H104-Y244 AromaticContact CD2-CZ 3.79Å; H104-Y244 AromaticContact CE1-CE1 3.8Å; H104-Y244 AromaticContact CE1-CZ 3.71Å; H104-Y244 PolarHBondContact CE1-OH 3.42Å; H104-Y244 AromaticContact CG-CD1 3.81Å; H104-Y244 AromaticContact CG-CE1 3.38Å; H104-Y244 AromaticContact CG-CZ 3.94Å; H104-Y244 AromaticContact ND1-CE1 3.43Å; H104-Y244 WeakPolarHBondContact ND1-CE1 3.47Å; H104-Y244 AromaticContact ND1-CZ 3.85Å; H104-Y244 AromaticContact NE2-CE1 3.96Å; H104-Y244 AromaticContact NE2-CZ 3.69Å
105I95.3Very high82.4Confident0 Ų067.5 Ų67.50%034%0.34CS..EExtended strand (participates in β ladder)trans-102.4120.5176.7-51.9165.8000108.5I84 E85 L86 I107 H242 L243 V245 L252 Y253 L256I84-I105 HydrophobicContact CG2-CG2 3.97Å; E85-I105 WeakPolarHBondContact O-CA 3.43Å; L86-I105 HydrophobicContact CD1-CG1 4.3Å; I105-I107 HydrophobicContact CG2-CG1 4.27Å; I105-H242 WeakPolarHBondContact O-CA 3.48Å; I105-L243 HydrophobicContact CB-CB 4.33Å; I105-L243 PolarHBondContact N-O 3.35Å; I105-L243 PolarHBondContact O-N 3.41Å; I105-V245 HydrophobicContact CD1-CG2 4.18Å; I105-L252 HydrophobicContact CD1-CB 4.17Å; I105-L252 HydrophobicContact CD1-CD2 4.11Å; I105-L252 HydrophobicContact CD1-CG 4.1Å; I105-Y253 HydrophobicContact CG1-CD2 4.35Å; I105-Y253 HydrophobicContact CG1-CG 4.38Å; I105-Y253 HydrophobicContact CG2-CD2 3.97Å; I105-L256 HydrophobicContact CD1-CD1 4.19Å; I105-L256 HydrophobicContact CG2-CD1 4.04Å
106R95.7Very high80Confident73 Ų7373.6 Ų73.628%0.27536%0.361SS..EExtended strand (participates in β ladder)trans-103.2127.3173.6-177.4174.673.2153.6-6.5109.9I84 E85 V87 E240I84-R106 WeakPolarHBondContact CA-O 3.33Å; E85-R106 PolarHBondContact N-O 3.42Å; E85-R106 PolarHBondContact O-N 2.87Å; E85-R106 IonicContact OE2-CZ 3.81Å; E85-R106 IonicContact OE2-NE 3.3Å; E85-R106 IonicContact OE2-NH2 3.96Å; E85-R106 PolarHBondContact OE2-NH2 3.33Å; V87-R106 HydrophobicContact CG2-CB 3.63Å; R106-E240 IonicContact CZ-OE1 2.78Å; R106-E240 IonicContact NE-OE1 2.74Å; R106-E240 IonicContact NH1-OE1 3.54Å; R106-E240 PolarHBondContact NH1-OE1 3.06Å
107I95.7Very high78Confident0 Ų077.8 Ų77.80%037%0.369CS..EExtended strand (participates in β ladder)trans-117.6114176.1-52.2167.1000108.7L76 V81 D83 I84 I105 E240 L241 L243 L256L76-I107 HydrophobicContact CD2-CB 4.34Å; L76-I107 HydrophobicContact CD2-CD1 4.2Å; L76-I107 HydrophobicContact CD2-CG2 3.44Å; L76-I107 VanDerWaalsContact CD2-CG2 3.44Å; V81-I107 HydrophobicContact CG1-CG2 4.09Å; V81-I107 HydrophobicContact CG2-CG2 3.99Å; D83-I107 WeakPolarHBondContact O-CA 3.5Å; I84-I107 HydrophobicContact CG1-CG2 4.29Å; I84-I107 HydrophobicContact CG2-CG1 4.28Å; I105-I107 HydrophobicContact CG2-CG1 4.27Å; I107-E240 WeakPolarHBondContact O-CA 3.39Å; I107-L241 HydrophobicContact CB-CB 4.4Å; I107-L241 HydrophobicContact CD1-CD2 4.28Å; I107-L241 PolarHBondContact N-O 3.49Å; I107-L241 PolarHBondContact O-N 2.92Å; I107-L243 HydrophobicContact CD1-CD1 4.06Å; I107-L256 HydrophobicContact CD1-CD1 4.15Å; I107-L256 HydrophobicContact CD1-CD2 4.23Å
108S93Very high75.4Confident16 Ų1679.3 Ų79.311%0.11238%0.378CS..EExtended strand (participates in β ladder)trans-96.1130.6176.1-52.30000109.4R82 D83 A239R82-S108 PolarHBondContact N-O 3.21Å; D83-S108 PolarHBondContact N-O 3.09Å; D83-S108 PolarHBondContact O-N 2.84Å; S108-A239 WeakPolarHBondContact CA-O 3.45Å
109Y92.3Very high73Confident20 Ų2083.6 Ų83.68%0.07840%0.396CS..EExtended strand (participates in β ladder)trans-150.9160.3-173.568.7-82.2000113L76 R80 A239 L241L76-Y109 VanDerWaalsContact CD1-CB 3.42Å; L76-Y109 HydrophobicContact CD1-CD1 3.89Å; L76-Y109 HydrophobicContact CD1-CD2 3.51Å; L76-Y109 HydrophobicContact CD1-CE2 4.19Å; L76-Y109 HydrophobicContact CD1-CG 3.33Å; R80-Y109 CarbonylContact O-C 3.56Å; R80-Y109 VanDerWaalsContact O-CA 3.22Å; R80-Y109 WeakPolarHBondContact O-CA 3.48Å; R80-Y109 WeakPolarHBondContact O-CB 3.41Å; Y109-A239 HydrophobicContact CD1-CB 4.38Å; Y109-A239 VanDerWaalsContact CD1-O 3.25Å; Y109-A239 WeakPolarHBondContact CD1-O 3.48Å; Y109-A239 HydrophobicContact CD2-CB 4.44Å; Y109-A239 HydrophobicContact CE1-CB 3.9Å; Y109-A239 HydrophobicContact CE2-CB 3.99Å; Y109-A239 PolarHBondContact N-O 3.5Å; Y109-A239 PolarHBondContact O-N 3.17Å; Y109-L241 HydrophobicContact CE1-CB 3.95Å
110I89.4Confident70.5Confident18 Ų1885.2 Ų85.29%0.09241%0.411CS..PPolyproline II helixtrans-84.9125.8173.7-52.3-172.3000109.8R80 R82R80-I110 PolarHBondContact NE-O 2.68Å; R80-I110 PolarHBondContact NH1-O 2.67Å; R80-I110 PolarHBondContact NH2-O 3.25Å; R80-I110 PolarHBondContact O-N 2.98Å; R82-I110 HydrophobicContact CG-CG1 4.13Å; R82-I110 VanDerWaalsContact CZ-CD1 3.5Å
111P83.6Confident68.3Low24 Ų2488.4 Ų88.416%0.15642%0.417CS..PPolyproline II helixtrans-66.8141.2-179.823-33000114.2R80 R113 R237 A239R80-P111 PolarHBondContact NH1-O 3.26Å; R80-P111 PolarHBondContact NH2-O 3.45Å; P111-R113 PolarHBondContact O-N 3.24Å; P111-R237 VanDerWaalsContact CD-O 3.25Å; P111-R237 WeakPolarHBondContact CD-O 3.38Å; P111-R237 WeakPolarHBondContact CG-O 3.24Å; P111-A239 HydrophobicContact CB-CB 4.32Å; P111-A239 HydrophobicContact CG-CB 4.38Å
112E73.1Confident65.8Low96 Ų9689.9 Ų89.945%0.44943%0.434SS..PPolyproline II helixtrans-64.4117.7174.2-81-173.2170.600109.3R77 P114 R230R77-E112 WeakPolarHBondContact CD-OE1 3.38Å; R77-E112 IonicContact NH1-OE1 3.38Å; R77-E112 PolarHBondContact NH1-OE1 3.06Å; E112-P114 WeakPolarHBondContact O-CD 3.48Å; E112-R230 PolarHBondContact O-NH1 2.94Å
113R61Low63.3Low186 Ų18696.7 Ų96.770%0.70246%0.463SS*.PPolyproline II helixtrans-62.9120.4167.7-65.5-170.5-170.5-172.72.8105.8P111 A115 E236P111-R113 PolarHBondContact O-N 3.24Å; R113-A115 PolarHBondContact O-N 3.22Å; R113-E236 IonicContact CZ-OE1 3.39Å; R113-E236 IonicContact NE-OE1 2.88Å; R113-E236 PolarHBondContact NE-OE1 2.92Å; R113-E236 IonicContact NH2-OE1 3.02Å; R113-E236 PolarHBondContact NH2-OE1 2.62Å
114P54Low60.5Low81 Ų81105.4 Ų105.453%0.52650%0.495SS..PPolyproline II helixtrans-58.4135.5170.124.6-29.9000107.3E112 E116 R230E112-P114 WeakPolarHBondContact O-CD 3.48Å; P114-E116 PolarHBondContact O-N 3.41Å; P114-R230 HydrophobicContact CG-CB 4.17Å
115A37.1Very low57.7Low94 Ų94114 Ų11478%0.77754%0.535SS*.PPolyproline II helixtrans-54.8117.8168.600000106.8R113 K117R113-A115 PolarHBondContact O-N 3.22Å; A115-K117 PolarHBondContact O-N 3.37Å
116E36.7Very low54.9Low186 Ų186124 Ų12487%0.86958%0.578SS**  trans-53.7111168.6-73.4177.3-179.600105.6P114 E118P114-E116 PolarHBondContact O-N 3.41Å; E116-E118 PolarHBondContact O-N 2.88Å; E116-E118 VanDerWaalsContact O-N 3.07Å
117K37.6Very low51.9Low176 Ų176132.4 Ų132.477%0.76561%0.61SS**  trans-61.3115.3160.4-74.1-179175.5-177.10103.6A115 H119A115-K117 PolarHBondContact O-N 3.37Å; K117-H119 VanDerWaalsContact C-N 3.28Å; K117-H119 PolarHBondContact O-CD2 3.45Å; K117-H119 PolarHBondContact O-N 3.32Å
118E29.7Very low49Very low193 Ų193137 Ų13790%0.90265%0.648SS**  trans-45.4104.4162.9-83.3-179.6142.400106.5E116 D120E116-E118 PolarHBondContact O-N 2.88Å; E116-E118 VanDerWaalsContact O-N 3.07Å; E118-D120 PolarHBondContact O-N 3.45Å; E118-D120 VanDerWaalsContact O-N 3.1Å
119H33.4Very low46.2Very low151 Ų151139.8 Ų139.870%0.69968%0.679SS**  trans-68.3112.8173.2-85.5-78.1000104.9K117 W121K117-H119 VanDerWaalsContact C-N 3.28Å; K117-H119 PolarHBondContact O-CD2 3.45Å; K117-H119 PolarHBondContact O-N 3.32Å; H119-W121 PolarHBondContact O-N 3.45Å
120D32.8Very low43.4Very low120 Ų120147 Ų14764%0.64272%0.719SS**  trans-62.280.5178.6-155.2-0.1000109.3E118 L122E118-D120 PolarHBondContact O-N 3.45Å; E118-D120 VanDerWaalsContact O-N 3.1Å; D120-L122 PolarHBondContact O-N 3.04Å
121W36.9Very low40.7Very low218 Ų218151.8 Ų151.883%0.82675%0.751SS**G310 helixtrans-71.8-4.8178.8-81.5101.3000112.5H119 Q123H119-W121 PolarHBondContact O-N 3.45Å; W121-Q123 PolarHBondContact O-N 3.45Å
122L32.2Very low38.4Very low163 Ų163156.8 Ų156.885%0.85378%0.783SS**G310 helixtrans-883.3-176.4-76.9164.8000114.7D120D120-L122 PolarHBondContact O-N 3.04Å
123Q35.4Very low36.6Very low167 Ų167158.9 Ų158.978%0.7880%0.802SS**G310 helixtrans-106.211-179.1-128.1-179.728.500115.2W121W121-Q123 PolarHBondContact O-N 3.45Å
124R33.2Very low35.1Very low224 Ų224154.4 Ų154.485%0.84581%0.805SS**SBendtrans-119.423.2-179.6-152.7-177.6-101.7-145.3-2.4115.3
125E34.2Very low34.1Very low188 Ų188156.2 Ų156.288%0.87982%0.816SS**SBendtrans-120.3-0.3168.3-79.9-170.1156.300114.9
126K35.9Very low34.2Very low210 Ų210157.9 Ų157.991%0.91382%0.819SS**SBendtrans-103.936.1174.3-84.6-176.5175.6177.30114.2
127R32Very low33.8Very low249 Ų249154.6 Ų154.694%0.9482%0.817SS**  trans-126.457.7165.8-78.1-167.9-173.4-163.12.6110.9
128A35.4Very low33.4Very low97 Ų97157.1 Ų157.180%0.80282%0.822SS**SBendtrans-144.3114.4159.700000108.1
129G35.2Very low33.4Very low75 Ų75158.5 Ų158.577%0.77382%0.819SS**  trans101.182.1167.500000116.3
130L33.1Very low32.9Very low172 Ų172155.4 Ų155.490%0.90182%0.82SS**  trans-133.4127.5150-75.4174.7000108.8
131P32.5Very low32.6Very low118 Ų118153.9 Ų153.977%0.76682%0.818SS**PPolyproline II helixtrans-87.7170.5166.636.5-30.8000111.2
132P34.7Very low32.2Very low128 Ų128152 Ų15283%0.83182%0.818SS**PPolyproline II helixtrans-91165.4-150.534.9-33.8000116.3
133V36.4Very low32.1Very low141 Ų141149.7 Ų149.786%0.85582%0.815SS**PPolyproline II helixtrans-48.2150.1-1751770000117.2
134A27.8Very low32Very low92 Ų92147.9 Ų147.976%0.7682%0.817SS**  trans-142.7157.215000000111.7
135P32.9Very low31.9Very low118 Ų118144.5 Ų144.577%0.76681%0.814SS**  trans-104.4-177-143.643.1-37.2000115.4
136P40.8Very low31.5Very low129 Ų129147.3 Ų147.384%0.83882%0.817SS**  trans-97158.3-155.438-32.9000115.1
137S28Very low31.1Very low118 Ų118142.2 Ų142.283%0.82580%0.804SS**  trans-137.7111.8167.877.80000114.7
138R28.7Very low30.9Very low229 Ų229137.9 Ų137.986%0.86479%0.793SS**  trans27.2141.6136.6-63.4-175.6175.5-160.8-2124.6
139R29Very low30.4Very low221 Ų221139.2 Ų139.283%0.83479%0.787SS**  trans85.4116.5143.9-87.6-176.3-169.7-163.31.6117.9
140A24.6Very low30.1Very low87 Ų87142.2 Ų142.272%0.71979%0.785SS**  75145.889.300000111.1
141S26.8Very low29.8Very low88 Ų88143.5 Ų143.562%0.61578%0.783SS**  cis-175.7158.40.135.60000105.3
142H27.6Very low29.4Very low178 Ų178141.6 Ų141.682%0.82479%0.785SS**  trans123.9112.1149.2-66.1-52.2000116.6
143C29.7Very low28.9Very low115 Ų115144.6 Ų144.678%0.77779%0.787SS**  trans-75.9162.9146.7-570000109.7
144P32.9Very low29.5Very low128 Ų128143.5 Ų143.583%0.83178%0.783SS**  -135.8147.2119.930.4-15.5000113.8
145I31Very low29.3Very low154 Ų154143 Ų14379%0.7978%0.779SS**  trans-83.5144.8166.4-69.2165.2000108.6
146R26.5Very low28.9Very low247 Ų247144.7 Ų144.793%0.93278%0.782SS**  trans-144.6142.2156.6-124.7-177.7176.9-171.6-1.7111.4
147T27.3Very low28.2Very low103 Ų103142.7 Ų142.763%0.63277%0.771SS**  trans-98176.1-166.739.40000114
148H27.3Very low28Very low157 Ų157147.8 Ų147.873%0.72777%0.772SS**  trans87.4142.5164.2-61.2-73.9000116.4
149D26.3Very low27.7Very low125 Ų125149 Ų14967%0.66878%0.777SS**  cis-175165.2-11.5-115.3-20.4000108.1
150L28.7Very low27.5Very low138 Ų138147 Ų14772%0.72377%0.774SS**  trans82.7112.1141.8-80.1158.1000122.8
151K25.8Very low27.5Very low200 Ų200151.5 Ų151.587%0.8778%0.778SS**  99.8125.9113.7-138.9176-158.9176.70119.9
152G25.4Very low27.4Very low77 Ų77156.6 Ų156.679%0.79479%0.792SS**  trans13994.4146.700000117.6
153H24.7Very low27.2Very low191 Ų191155.6 Ų155.688%0.88479%0.787SS**  trans-92.9-175.8164.6-85.4-51.4000110.6
154P47.3Very low27Very low118 Ų118158.6 Ų158.677%0.76679%0.794SS**  cis-140.1-159.7-4339-19.6000111.9
155A24.2Very low26.6Very low83 Ų83161.3 Ų161.369%0.68680%0.796SS**  trans123.6142.6157.300000113
156D24.2Very low26.7Very low152 Ų152158.9 Ų158.981%0.81379%0.79SS**  cis-163.1160.2-4.6-110.6-24.3000109.9
157S26.4Very low26.7Very low87 Ų87153.4 Ų153.461%0.60878%0.784SS**  trans-74.3138.1-17852.30000115.8
158W23.1Very low26.7Very low225 Ų225156.9 Ų156.985%0.85280%0.795SS**  trans-142.6101.2155.2-84.371.4000111.8
159W23.6Very low26.7Very low254 Ų254157.8 Ų157.896%0.96280%0.797SS**  trans-91.7125.8158.6-73.498.9000108.1
160K24.4Very low26.9Very low181 Ų181158 Ų15879%0.78780%0.803SS**  trans-126.4130.9164.3-117.7-176.2-179.1-172.80109.9
161K24.7Very low27.1Very low181 Ų181155.7 Ų155.779%0.78780%0.798SS**  trans-100.5127.3-177.3-166.2-174.6-169.5-1700106.4
162E23.6Very low27.5Very low195 Ų195152.4 Ų152.491%0.91178%0.78SS**  trans-150120.5160.3-147.7141.2-157.200109.7
163E23.8Very low28.3Very low156 Ų156154 Ų15473%0.72978%0.779SS**  trans-84.6129.3-179.9-67.2173.7166.200109.9
164L25.9Very low28.8Very low178 Ų178147.7 Ų147.793%0.93276%0.76SS**  trans-155.9115.7148.2-78.3-177000109.3
165H23.9Very low28.5Very low185 Ų185144.8 Ų144.886%0.85674%0.743SS**  trans-90.3173.3165.5-78.7-74.9000110.1
166P34.4Very low28.9Very low103 Ų103146.7 Ų146.767%0.66975%0.75SS**  -129.8144.5-52.935.4-19.6000111.2
167V25.5Very low29.3Very low132 Ų132143.9 Ų143.980%0.874%0.74SS**  trans-11391.7157179.90000106.8K169V167-K169 VanDerWaalsContact C-N 3.29Å; V167-K169 HydrophobicContact CG1-CG 4.4Å; V167-K169 PolarHBondContact O-N 3.32Å
168M27.4Very low29.6Very low177 Ų177143.1 Ų143.187%0.87273%0.729SS**  trans-66.593.6166.5-87.6-170.7154.400108.2T170M168-T170 PolarHBondContact O-N 2.93Å
169K26.9Very low30Very low176 Ų176136.9 Ų136.977%0.76572%0.717SS**  trans-71.2108.6152.2-74.7-178.11781790106.3V167 S171V167-K169 VanDerWaalsContact C-N 3.29Å; V167-K169 HydrophobicContact CG1-CG 4.4Å; V167-K169 PolarHBondContact O-N 3.32Å; K169-S171 PolarHBondContact O-N 3.39Å
170T31.2Very low30.9Very low129 Ų129131.3 Ų131.379%0.79170%0.702SS**  trans-63.283.3161.939.20000108.2M168 R172M168-T170 PolarHBondContact O-N 2.93Å; T170-R172 PolarHBondContact O-N 2.9Å
171S31.9Very low31.7Very low90 Ų90126 Ų12663%0.62969%0.685SS**  trans-6895.2173.1-61.10000108.8K169K169-S171 PolarHBondContact O-N 3.39Å
172R35.7Very low32.4Very low131 Ų131124.3 Ų124.349%0.49468%0.683SS.*  trans-70.6119.5156.1-64.4-168.8-168-173.412106.9T170 E301T170-R172 PolarHBondContact O-N 2.9Å; R172-E301 IonicContact CZ-OE1 2.78Å; R172-E301 VanDerWaalsContact CZ-OE1 3.3Å; R172-E301 IonicContact CZ-OE2 3.65Å; R172-E301 IonicContact NH1-OE1 2.83Å; R172-E301 IonicContact NH1-OE2 3.93Å; R172-E301 PolarHBondContact NH1-OE2 3.07Å; R172-E301 IonicContact NH2-OE1 3.38Å; R172-E301 PolarHBondContact NH2-OE1 3.27Å; R172-E301 IonicContact NH2-OE2 3.3Å; R172-E301 PolarHBondContact NH2-OE2 3.49Å
173S40.6Very low32.8Very low109 Ų109118.3 Ų118.376%0.76267%0.674SS**  trans-151.692.9172.1-700000109.3
174A36.4Very low33.2Very low59 Ų59118 Ų11849%0.48868%0.677SS.*SBendtrans-147.20.6158.100000113.6R325A174-R325 PolarHBondContact O-NH1 3.36Å
175S40Very low33.4Very low57 Ų57115.6 Ų115.640%0.39967%0.672SS.*  trans-156.186.6179.555.90000111.9
176C32.8Very low34Very low124 Ų124117.9 Ų117.984%0.83867%0.673SS**PPolyproline II helixtrans-87.2124.5149.6-65.40000106.5D178C176-D178 PolarHBondContact O-N 3.34Å
177P32.8Very low33.8Very low93 Ų93120 Ų12060%0.60468%0.677SS**PPolyproline II helixtrans-66.7130.4166.927.7-28.9000107.9
178D33.3Very low34.1Very low71 Ų71119.5 Ų119.538%0.3868%0.676SS.*PPolyproline II helixtrans-57.6135.4169.1-165.5-10.3000108.3C176 E180 T181 R277C176-D178 PolarHBondContact O-N 3.34Å; D178-E180 PolarHBondContact O-N 3.36Å; D178-T181 WeakPolarHBondContact O-CB 3.42Å; D178-T181 PolarHBondContact O-N 2.85Å; D178-T181 PolarHBondContact O-OG1 2.89Å; D178-R277 IonicContact OD2-NH1 3.69Å; D178-R277 PolarHBondContact OD2-NH1 3.2Å
179P30.8Very low34.3Very low93 Ų93118.9 Ų118.960%0.60468%0.676SS**G310 helixtrans-53.6-15.5175.517.6-32.6000114.5T181 L182P179-T181 PolarHBondContact O-N 2.92Å; P179-L182 PolarHBondContact O-N 3.43Å
180E42.1Very low34.5Very low138 Ų138115.8 Ų115.865%0.64567%0.674SS**G310 helixtrans-65.7-15.9171.3-62.7-172.8170.600114D178 L182 R277D178-E180 PolarHBondContact O-N 3.36Å; E180-L182 PolarHBondContact O-N 3.32Å; E180-R277 IonicContact OE2-NH1 3.96Å
181T43Very low34.5Very low69 Ų69118.7 Ų118.742%0.42368%0.678SS.*G310 helixtrans-70.6-5.8174.6-29.30000112.6D178 P179D178-T181 WeakPolarHBondContact O-CB 3.42Å; D178-T181 PolarHBondContact O-N 2.85Å; D178-T181 PolarHBondContact O-OG1 2.89Å; P179-T181 PolarHBondContact O-N 2.92Å
182L38.1Very low34.5Very low145 Ų145120.3 Ų120.376%0.75969%0.686SS**G310 helixtrans-115.213.1-177.9-62.6175.8000114.5P179 E180 L184P179-L182 PolarHBondContact O-N 3.43Å; E180-L182 PolarHBondContact O-N 3.32Å; L182-L184 PolarHBondContact O-N 2.84Å
183G31.9Very low34.6Very low70 Ų70122 Ų12272%0.72270%0.704SS**  trans68.627.2163.800000117.8
184L33Very low34.3Very low150 Ų150122.3 Ų122.379%0.78570%0.704SS**  trans-93.9131.8176.3-64176.9000112.4L182L182-L184 PolarHBondContact O-N 2.84Å
185P29.7Very low34.2Very low126 Ų126125.6 Ų125.682%0.81872%0.72SS**  trans-75.4134.7178.329.5-31.5000111.2
186R35.7Very low33.8Very low233 Ų233128 Ų12888%0.87974%0.737SS**  trans-105.1130.2175.4-120.6-177.8-172.7169.52.6112.4
187I31.8Very low33.8Very low147 Ų147128 Ų12875%0.75474%0.735SS**  trans-62.6143.1169.4-62.4165.1000109.4
188P31.3Very low33.8Very low122 Ų122129.6 Ų129.679%0.79275%0.746SS**  trans-82.7132.9-173.218.4-7.2000112.5
189L30.6Very low33.6Very low164 Ų164131.9 Ų131.986%0.85977%0.767SS**  trans-134.4153.8162.9-90.6142.3000109.2
190P32Very low33.5Very low112 Ų112133 Ų13373%0.72778%0.777SS**PPolyproline II helixtrans-87.9154.8-14318.7-8.2000115.1
191H31Very low33Very low189 Ų189132 Ų13288%0.87578%0.783SS**PPolyproline II helixtrans-64.7137.4-178.3-59.2-71.2000114
192P32.4Very low32.3Very low124 Ų124134.8 Ų134.881%0.80580%0.802SS**PPolyproline II helixtrans-86.7144.2156.6-120.1000111.4
193L36.9Very low31.8Very low166 Ų166137 Ų13787%0.86981%0.808SS**PPolyproline II helixtrans-63155.8178.8-82.2104.9000114.1
194P35.4Very low31.5Very low116 Ų116143 Ų14375%0.75382%0.818SS**PPolyproline II helixtrans-77.9148.9179.431.7-33.6000113
195P33.7Very low31.1Very low128 Ų128142.7 Ų142.783%0.83182%0.817SS**PPolyproline II helixtrans-80.5146174.732.1-31.7000112.2
196S32.3Very low30.9Very low109 Ų109145.1 Ų145.176%0.76282%0.822SS**PPolyproline II helixtrans-75.9154.8175.633.50000113
197P33.1Very low30.3Very low122 Ų122142.8 Ų142.879%0.79282%0.818SS**PPolyproline II helixtrans-79145.4-177.830.9-32.8000112.3
198P32.8Very low29.9Very low128 Ų128141.8 Ų141.883%0.83182%0.819SS**PPolyproline II helixtrans-78.2143.5176.330.4-31.8000112.3
199S27.2Very low29.6Very low118 Ų118140.9 Ų140.983%0.82582%0.822SS**PPolyproline II helixtrans-75.1137.9175.438.30000112.7
200S30.1Very low29.6Very low116 Ų116142.1 Ų142.181%0.81182%0.823SS**PPolyproline II helixtrans-75.7143.8174.8-36.90000112.1
201P31.1Very low29.5Very low117 Ų117142 Ų14276%0.7683%0.825SS**PPolyproline II helixtrans-85160.7169.934.7-31000111.9
202P28.4Very low29.3Very low128 Ų128144.8 Ų144.883%0.83183%0.828SS**PPolyproline II helixtrans-82.5149.6-171.333.4-33.2000113.2
203E28Very low29.2Very low191 Ų191148.1 Ų148.189%0.89383%0.833SS**PPolyproline II helixtrans-70.8129.9175.4-66.8-178.614800112
204E24.6Very low28.8Very low198 Ų198146.6 Ų146.693%0.92583%0.83SS**  trans-114.4121.6165.3-150.5173.3-157.100109.5
205N25.3Very low28.6Very low143 Ų143148 Ų14877%0.76584%0.837SS**  trans-75.3137.3179.2-88.1-71.7000111.3
206L25.5Very low28.7Very low177 Ų177153.9 Ų153.993%0.92784%0.843SS**  trans-157.3143.6140.1-107.2151.9000112.1
207K23.6Very low28.8Very low183 Ų183160.1 Ų160.180%0.79685%0.849SS**  trans-88.2164.7-158.1-65.9159.6172.6172.20113.1
208T23Very low28.9Very low126 Ų126161.7 Ų161.777%0.77385%0.849SS**  trans94.1105.6143.5-8.50000118.5
209A24.5Very low29.4Very low103 Ų103157.6 Ų157.685%0.85183%0.831SS**  trans-162.2103.7130.500000108.6S211A209-S211 PolarHBondContact O-N 2.63Å
210E31.5Very low30.7Very low190 Ų190152.4 Ų152.489%0.88880%0.795SS**  trans-61.7113.7174.2-63.6169.513900110.5
211S28.3Very low32Very low109 Ų109151.5 Ų151.576%0.76278%0.784SS**  trans176.882.1147.1-177.80000109.2A209A209-S211 PolarHBondContact O-N 2.63Å
212R27.7Very low33.3Very low249 Ų249146.2 Ų146.294%0.9475%0.749SS**  trans-174.836.9160.2-108.9165.3-178.5-1681.3114
213Q29.7Very low34.7Very low194 Ų194142.3 Ų142.391%0.90772%0.723SS**  trans-109.150.4-177.5-146.2174.314.400112.9
214V29Very low36.1Very low134 Ų134140.6 Ų140.681%0.81271%0.708SS**SBendtrans-14578.1162.8-170.70000110.1
215T30.4Very low37.6Very low146 Ų146134.8 Ų134.890%0.89668%0.683SS**SBendtrans-171.116.7152.513.80000114.3
216R35.8Very low39.2Very low251 Ų251130.3 Ų130.395%0.94766%0.659SS**SBendtrans-105.816.7-178-86-171.8175.8176.90.1116.1
217R34.8Very low40.6Very low239 Ų239132 Ų13290%0.90265%0.653SS**SBendtrans-119.213.3-172.6-92.8-170.3-177.8-175.32.8118.2
218I36.1Very low41.6Very low155 Ų155132.6 Ų132.680%0.79565%0.65SS**  trans-125.774.8168.5-48.3176000108.2S220I218-S220 PolarHBondContact O-N 2.92Å; I218-S220 VanDerWaalsContact O-N 3.12Å
219G41.9Very low42.6Very low43 Ų43133.1 Ų133.144%0.44365%0.649SS.*  trans-59.5115.3159.200000106.6V221G219-V221 PolarHBondContact O-N 3.31Å
220S55.3Low43.9Very low9 Ų9133.7 Ų133.76%0.06363%0.629CS.*  trans-50.6140.7-173.273.80000110.2I218 L222 T223 R224I218-S220 PolarHBondContact O-N 2.92Å; I218-S220 VanDerWaalsContact O-N 3.12Å; S220-L222 PolarHBondContact O-N 3.32Å; S220-L222 VanDerWaalsContact O-N 3.13Å; S220-T223 PolarHBondContact O-N 3.01Å; S220-T223 PolarHBondContact OG-N 3.49Å; S220-T223 PolarHBondContact OG-OG1 3.43Å; S220-R224 PolarHBondContact O-N 3.43Å
221V57.9Low44.4Very low97 Ų97128.6 Ų128.659%0.58862%0.619SS**Hα-helixtrans-52.7-34.2174.9174.90000109.4G219 R224 L225G219-V221 PolarHBondContact O-N 3.31Å; V221-R224 CarbonylContact O-C 3.04Å; V221-R224 WeakPolarHBondContact O-CB 3.4Å; V221-R224 PolarHBondContact O-N 3.45Å; V221-R224 VanDerWaalsContact O-N 3.16Å; V221-L225 HydrophobicContact CG1-CD1 3.8Å; V221-L225 HydrophobicContact CG1-CG 4.04Å; V221-L225 WeakPolarHBondContact O-CB 3.33Å; V221-L225 VanDerWaalsContact O-CG 3.3Å; V221-L225 WeakPolarHBondContact O-CG 3.42Å; V221-L225 PolarHBondContact O-N 2.9Å
222L57.4Low44.9Very low6 Ų6131.2 Ų131.23%0.03162%0.624CS.*Hα-helixtrans-55.9-49.6171-82.7179.6000114.9I48 M53 E66 S220 R224 L225 L226I48-L222 HydrophobicContact CD1-CD2 3.85Å; I48-L222 HydrophobicContact CG1-CD2 4.32Å; M53-L222 HydrophobicContact CE-CD1 3.83Å; M53-L222 HydrophobicContact CE-CD2 3.22Å; M53-L222 HydrophobicContact CE-CG 3.9Å; M53-L222 HydrophobicContact SD-CD1 4.02Å; M53-L222 HydrophobicContact SD-CD2 3.99Å; E66-L222 HydrophobicContact CG-CD1 3.6Å; E66-L222 HydrophobicContact CG-CG 4.29Å; E66-L222 WeakPolarHBondContact OE1-CD1 3.43Å; S220-L222 PolarHBondContact O-N 3.32Å; S220-L222 VanDerWaalsContact O-N 3.13Å; L222-R224 PolarHBondContact O-N 3.33Å; L222-L225 PolarHBondContact O-N 3.1Å; L222-L226 WeakPolarHBondContact O-CB 3.36Å; L222-L226 WeakPolarHBondContact O-CG 3.17Å; L222-L226 PolarHBondContact O-N 3.47Å
223T59.3Low45.6Very low46 Ų46123 Ų12328%0.28261%0.606SS.*Hα-helixtrans-63.8-29.1178.2-45.30000111.4S220 R227S220-T223 PolarHBondContact O-N 3.01Å; S220-T223 PolarHBondContact OG-N 3.49Å; S220-T223 PolarHBondContact OG-OG1 3.43Å; T223-R227 VanDerWaalsContact O-CB 3.3Å; T223-R227 WeakPolarHBondContact O-CB 3.22Å; T223-R227 VanDerWaalsContact O-CG 3.24Å; T223-R227 WeakPolarHBondContact O-CG 3.34Å
224R56.8Low46.2Very low154 Ų154126.3 Ų126.358%0.58161%0.61SS**Hα-helixtrans-75.8-46173.3-66.7-179.4178.4175.9-0.1111.4S220 V221 L222 L226 R227 R228S220-R224 PolarHBondContact O-N 3.43Å; V221-R224 CarbonylContact O-C 3.04Å; V221-R224 WeakPolarHBondContact O-CB 3.4Å; V221-R224 PolarHBondContact O-N 3.45Å; V221-R224 VanDerWaalsContact O-N 3.16Å; L222-R224 PolarHBondContact O-N 3.33Å; R224-L226 PolarHBondContact O-N 3.43Å; R224-R227 CarbonylContact O-C 3.55Å; R224-R227 PolarHBondContact O-N 3.06Å; R224-R228 WeakPolarHBondContact O-CB 3.45Å; R224-R228 PolarHBondContact O-N 2.97Å
225L55.2Low47.2Very low76 Ų76125.5 Ų125.540%0.39860%0.597SS.*Hα-helixtrans-61.6-43.8179.5-72.4172.9000111.9V221 L222 R227V221-L225 HydrophobicContact CG1-CD1 3.8Å; V221-L225 HydrophobicContact CG1-CG 4.04Å; V221-L225 WeakPolarHBondContact O-CB 3.33Å; V221-L225 VanDerWaalsContact O-CG 3.3Å; V221-L225 WeakPolarHBondContact O-CG 3.42Å; V221-L225 PolarHBondContact O-N 2.9Å; L222-L225 PolarHBondContact O-N 3.1Å; L225-R227 PolarHBondContact O-N 3.48Å
226L59.5Low48.4Very low49 Ų49124 Ų12426%0.25758%0.58SS.*Hα-helixtrans-69.6-12.4175.3-69.1167.3000113.5V47 I48 T73 L222 R224V47-L226 HydrophobicContact CG2-CD2 3.86Å; I48-L226 HydrophobicContact CD1-CD2 4.29Å; T73-L226 HydrophobicContact CG2-CD1 3.43Å; T73-L226 VanDerWaalsContact CG2-CD1 3.43Å; L222-L226 WeakPolarHBondContact O-CB 3.36Å; L222-L226 WeakPolarHBondContact O-CG 3.17Å; L222-L226 PolarHBondContact O-N 3.47Å; R224-L226 PolarHBondContact O-N 3.43Å
227R54.6Low50Low213 Ų213119.8 Ų119.880%0.80456%0.564SS**Hα-helixtrans-105.3-17.7178.4-80.7-175.9169.4-174.8-3.4114.9T223 R224 L225T223-R227 VanDerWaalsContact O-CB 3.3Å; T223-R227 WeakPolarHBondContact O-CB 3.22Å; T223-R227 VanDerWaalsContact O-CG 3.24Å; T223-R227 WeakPolarHBondContact O-CG 3.34Å; R224-R227 CarbonylContact O-C 3.55Å; R224-R227 PolarHBondContact O-N 3.06Å; L225-R227 PolarHBondContact O-N 3.48Å
228R44.9Very low52.3Low195 Ų195113.2 Ų113.274%0.73655%0.547SS*.Hα-helixtrans-94.6-16.5-156.3-164.4165.3-173.1156.92.7117.6R224R224-R228 WeakPolarHBondContact O-CB 3.45Å; R224-R228 PolarHBondContact O-N 2.97Å
229D44Very low54.9Low138 Ų138106 Ų10674%0.73851%0.51SS*.  trans-130.582.3-179.5-89.4-29.5000113.4
230R51.4Low57.4Low114 Ų114106.9 Ų106.943%0.4350%0.503SS..  trans-140.649.5162.1-71.8-163.9-179.5135.610.4111.7E112 P114E112-R230 PolarHBondContact O-NH1 2.94Å; P114-R230 HydrophobicContact CG-CB 4.17Å
231A42.7Very low59.4Low83 Ų83106.7 Ų106.769%0.68650%0.501SS*.  trans-101.6132.1158.700000107.3
232D39.1Very low61.2Low164 Ų164103.5 Ų103.588%0.87748%0.48SS*.SBendtrans7966.8168.8-52.9-24.9000118.5
233S41.1Very low63Low78 Ų78103.2 Ų103.255%0.54548%0.478SS..  trans-150.5117.1140.967.60000110.9E235S233-E235 PolarHBondContact O-N 3.49Å
234R43.3Very low64.7Low262 Ų262102 Ų10299%0.98947%0.469SS*.SBendtrans-71.35.1-178.3-143.8177.8-171-141.13.2113.8
235E49.1Very low66.4Low117 Ų11794.7 Ų94.755%0.54744%0.441SS..SBendtrans-112.4131.3179.1-69.3171.7162.200109.2S233 R237S233-E235 PolarHBondContact O-N 3.49Å; E235-R237 HydrophobicContact CB-CG 4.08Å; E235-R237 PolarHBondContact O-N 2.71Å; E235-R237 IonicContact OE2-CZ 2.97Å; E235-R237 IonicContact OE2-NE 2.8Å; E235-R237 PolarHBondContact OE2-NE 2.79Å; E235-R237 IonicContact OE2-NH2 3.87Å; E235-R237 PolarHBondContact OE2-NH2 3.29Å
236E57Low67.9Low115 Ų11593.5 Ų93.554%0.53744%0.437SS..  trans-67.779.2164.1-74-171.5162.900108.9R113R113-E236 IonicContact CZ-OE1 3.39Å; R113-E236 IonicContact NE-OE1 2.88Å; R113-E236 PolarHBondContact NE-OE1 2.92Å; R113-E236 IonicContact NH2-OE1 3.02Å; R113-E236 PolarHBondContact NH2-OE1 2.62Å
237R68.8Low69Low163 Ų16392.9 Ų92.962%0.61544%0.436SS*.PPolyproline II helixtrans-73.1133.5170.2-65.2-172.5-170.5-176.54.7108.8P111 E235 A239P111-R237 VanDerWaalsContact CD-O 3.25Å; P111-R237 WeakPolarHBondContact CD-O 3.38Å; P111-R237 WeakPolarHBondContact CG-O 3.24Å; E235-R237 HydrophobicContact CB-CG 4.08Å; E235-R237 PolarHBondContact O-N 2.71Å; E235-R237 IonicContact OE2-CZ 2.97Å; E235-R237 IonicContact OE2-NE 2.8Å; E235-R237 PolarHBondContact OE2-NE 2.79Å; E235-R237 IonicContact OE2-NH2 3.87Å; E235-R237 PolarHBondContact OE2-NH2 3.29Å; R237-A239 PolarHBondContact O-N 3.05Å
238D83.5Confident69.8Low100 Ų10088.7 Ų88.754%0.53543%0.426SS..PPolyproline II helixtrans-60.1131.9168.8-74.3-28.9000108.4
239A90.9Very high71.3Confident4 Ų484.8 Ų84.83%0.03342%0.424CS..EExtended strand (participates in β ladder)trans-97.9153174.400000109.7S108 Y109 P111 R237S108-A239 WeakPolarHBondContact CA-O 3.45Å; Y109-A239 HydrophobicContact CD1-CB 4.38Å; Y109-A239 VanDerWaalsContact CD1-O 3.25Å; Y109-A239 WeakPolarHBondContact CD1-O 3.48Å; Y109-A239 HydrophobicContact CD2-CB 4.44Å; Y109-A239 HydrophobicContact CE1-CB 3.9Å; Y109-A239 HydrophobicContact CE2-CB 3.99Å; Y109-A239 PolarHBondContact N-O 3.5Å; Y109-A239 PolarHBondContact O-N 3.17Å; P111-A239 HydrophobicContact CB-CB 4.32Å; P111-A239 HydrophobicContact CG-CB 4.38Å; R237-A239 PolarHBondContact O-N 3.05Å
240E94.6Very high73.1Confident62 Ų6278.4 Ų78.429%0.2939%0.39SS..EExtended strand (participates in β ladder)trans-118.9137.3-179.6-58.9-166.7146.400111.7R106 I107 H242R106-E240 IonicContact CZ-OE1 2.78Å; R106-E240 IonicContact NE-OE1 2.74Å; R106-E240 IonicContact NH1-OE1 3.54Å; R106-E240 PolarHBondContact NH1-OE1 3.06Å; I107-E240 WeakPolarHBondContact O-CA 3.39Å; E240-H242 WeakPolarHBondContact CB-NE2 3.47Å; E240-H242 IonicContact OE2-CE1 4Å; E240-H242 PolarHBondContact OE2-CE1 3.3Å; E240-H242 IonicContact OE2-NE2 2.72Å; E240-H242 PolarHBondContact OE2-NE2 2.75Å
241L95.4Very high74.6Confident4 Ų474 Ų742%0.02138%0.376CS..EExtended strand (participates in β ladder)trans-119.2120.6168.7175.766.8000108.1V43 A75 I107 Y109 L243V43-L241 HydrophobicContact CG1-CD1 3.65Å; A75-L241 HydrophobicContact CB-CD2 4.3Å; I107-L241 HydrophobicContact CB-CB 4.4Å; I107-L241 HydrophobicContact CD1-CD2 4.28Å; I107-L241 PolarHBondContact N-O 3.49Å; I107-L241 PolarHBondContact O-N 2.92Å; Y109-L241 HydrophobicContact CE1-CB 3.95Å; L241-L243 HydrophobicContact CD1-CD2 4.27Å; L241-L243 HydrophobicContact CD2-CD2 4.35Å; L241-L243 HydrophobicContact CG-CD2 4.13Å; L241-L243 HydrophobicContact CG-CG 4.5Å
242H96.1Very high76.8Confident30 Ų3070.1 Ų70.114%0.13934%0.344CS..EExtended strand (participates in β ladder)trans-108.5128.4179.7-54.6-101.2000109.8V43 V44 H104 I105 E240 Y244V43-H242 WeakPolarHBondContact CA-O 3.35Å; V44-H242 HydrophobicContact CB-CB 4.09Å; V44-H242 PolarHBondContact N-O 3.26Å; V44-H242 PolarHBondContact O-N 3.42Å; H104-H242 AromaticContact CE1-ND1 3.6Å; H104-H242 AromaticContact NE2-CG 3.64Å; H104-H242 AromaticContact NE2-ND1 2.89Å; H104-H242 PolarHBondContact NE2-ND1 2.82Å; I105-H242 WeakPolarHBondContact O-CA 3.48Å; E240-H242 WeakPolarHBondContact CB-NE2 3.47Å; E240-H242 IonicContact OE2-CE1 4Å; E240-H242 PolarHBondContact OE2-CE1 3.3Å; E240-H242 IonicContact OE2-NE2 2.72Å; E240-H242 PolarHBondContact OE2-NE2 2.75Å; H242-Y244 HydrophobicContact CB-CD2 4.36Å; H242-Y244 HydrophobicContact CB-CE2 3.68Å
243L96.1Very high79.1Confident0 Ų063.2 Ų63.20%031%0.306CS..EExtended strand (participates in β ladder)trans-118.3113.9176.5-51.9176.9000108.4V43 A55 L64 I105 I107 L241 L252 L256V43-L243 HydrophobicContact CG1-CD2 4.36Å; V43-L243 HydrophobicContact CG2-CD2 3.97Å; A55-L243 HydrophobicContact CB-CD1 4.23Å; L64-L243 HydrophobicContact CD2-CD2 4.47Å; I105-L243 HydrophobicContact CB-CB 4.33Å; I105-L243 PolarHBondContact N-O 3.35Å; I105-L243 PolarHBondContact O-N 3.41Å; I107-L243 HydrophobicContact CD1-CD1 4.06Å; L241-L243 HydrophobicContact CD1-CD2 4.27Å; L241-L243 HydrophobicContact CD2-CD2 4.35Å; L241-L243 HydrophobicContact CG-CD2 4.13Å; L241-L243 HydrophobicContact CG-CG 4.5Å; L243-L252 HydrophobicContact CD1-CD2 4.12Å; L243-L256 HydrophobicContact CD1-CD1 4.14Å
244Y94.7Very high81.1Confident21 Ų2160 Ų608%0.08228%0.282CS..EExtended strand (participates in β ladder)trans-100.8101.1176.8-62.3-92.6000108.9C41 V42 V44 P91 F93 H104 H242C41-Y244 CarbonylContact C-O 3.58Å; C41-Y244 VanDerWaalsContact CA-O 3.29Å; C41-Y244 WeakPolarHBondContact CA-O 3.19Å; C41-Y244 WeakPolarHBondContact CB-O 3.38Å; V42-Y244 PolarHBondContact N-O 3.15Å; V42-Y244 PolarHBondContact O-N 3.23Å; V44-Y244 HydrophobicContact CB-CE2 4.1Å; V44-Y244 HydrophobicContact CG2-CD2 4.06Å; V44-Y244 HydrophobicContact CG2-CE2 3.58Å; P91-Y244 HydrophobicContact CB-CD1 4.07Å; P91-Y244 HydrophobicContact CB-CE1 3.91Å; P91-Y244 HydrophobicContact CG-CD1 3.97Å; P91-Y244 HydrophobicContact CG-CE1 4.2Å; F93-Y244 HydrophobicContact CE1-CE1 4.26Å; F93-Y244 HydrophobicContact CE1-CE2 4.28Å; F93-Y244 HydrophobicContact CE2-CD2 4.5Å; F93-Y244 HydrophobicContact CE2-CG 4.37Å; F93-Y244 AromaticContact CZ-CD1 3.83Å; F93-Y244 HydrophobicContact CZ-CD1 3.83Å; F93-Y244 AromaticContact CZ-CD2 3.72Å; F93-Y244 HydrophobicContact CZ-CD2 3.72Å; F93-Y244 AromaticContact CZ-CE1 3.9Å; F93-Y244 HydrophobicContact CZ-CE1 3.9Å; F93-Y244 AromaticContact CZ-CE2 3.78Å; F93-Y244 HydrophobicContact CZ-CE2 3.78Å; F93-Y244 AromaticContact CZ-CG 3.73Å; F93-Y244 HydrophobicContact CZ-CG 3.73Å; F93-Y244 AromaticContact CZ-CZ 3.87Å; H104-Y244 HydrophobicContact CB-CD1 3.84Å; H104-Y244 HydrophobicContact CB-CE1 3.86Å; H104-Y244 AromaticContact CD2-CE1 3.68Å; H104-Y244 AromaticContact CD2-CZ 3.79Å; H104-Y244 AromaticContact CE1-CE1 3.8Å; H104-Y244 AromaticContact CE1-CZ 3.71Å; H104-Y244 PolarHBondContact CE1-OH 3.42Å; H104-Y244 AromaticContact CG-CD1 3.81Å; H104-Y244 AromaticContact CG-CE1 3.38Å; H104-Y244 AromaticContact CG-CZ 3.94Å; H104-Y244 AromaticContact ND1-CE1 3.43Å; H104-Y244 WeakPolarHBondContact ND1-CE1 3.47Å; H104-Y244 AromaticContact ND1-CZ 3.85Å; H104-Y244 AromaticContact NE2-CE1 3.96Å; H104-Y244 AromaticContact NE2-CZ 3.69Å; H242-Y244 HydrophobicContact CB-CD2 4.36Å; H242-Y244 HydrophobicContact CB-CE2 3.68Å
245V92.3Very high83.1Confident1 Ų149 Ų491%0.00624%0.242CC..EExtended strand (participates in β ladder)trans-96.5112.5-177.9-167.80000109.5E39 C41 C102 Q103 I105 S247 S250 L252E39-V245 HydrophobicContact CB-CG1 4.5Å; E39-V245 WeakPolarHBondContact OE2-CG1 3.29Å; C41-V245 HydrophobicContact CB-CG2 3.99Å; C102-V245 CarbonylContact C-O 3.6Å; C102-V245 WeakPolarHBondContact CA-O 3.38Å; Q103-V245 HydrophobicContact CB-CB 4.49Å; Q103-V245 PolarHBondContact N-O 2.99Å; Q103-V245 PolarHBondContact O-N 3.38Å; I105-V245 HydrophobicContact CD1-CG2 4.18Å; V245-S247 PolarHBondContact O-N 3.09Å; V245-S250 WeakPolarHBondContact CG1-OG 3.24Å; V245-L252 HydrophobicContact CG2-CB 4.4Å; V245-L252 HydrophobicContact CG2-CD2 3.62Å
246V87.4Confident85.1Confident50 Ų5043.5 Ų43.530%0.30322%0.216SC..EExtended strand (participates in β ladder)trans-8466.9-179.5-169.10000110L94 D98 R101L94-V246 HydrophobicContact CD1-CG2 3.85Å; L94-V246 HydrophobicContact CD2-CG2 4.19Å; D98-V246 HydrophobicContact CB-CG1 3.56Å; D98-V246 WeakPolarHBondContact OD1-CG1 3.32Å; R101-V246 HydrophobicContact CB-CG1 4.49Å
247S82.6Confident86.5Confident36 Ų3640.3 Ų40.325%0.25220%0.201SC..  trans-156.9121.1177.5178.90000110.7R101 Q103 V245 T249 S250R101-S247 CarbonylContact O-C 3.51Å; R101-S247 PolarHBondContact O-N 2.93Å; R101-S247 VanDerWaalsContact O-N 3.17Å; Q103-S247 PolarHBondContact NE2-O 3.35Å; V245-S247 PolarHBondContact O-N 3.09Å; S247-T249 PolarHBondContact O-N 3.49Å; S247-T249 PolarHBondContact OG-N 3.4Å; S247-T249 PolarHBondContact OG-OG1 3.36Å; S247-S250 WeakPolarHBondContact O-CB 3.42Å; S247-S250 PolarHBondContact O-N 2.9Å; S247-S250 PolarHBondContact OG-N 3.39Å
248Q71.8Confident87.3Confident125 Ų12532.6 Ų32.658%0.58417%0.173SC*.THydrogen-bonded Turntrans-64.9-23.7175.2-72.4179.8-15.800112.5R101R101-Q248 HydrophobicContact CB-CG 3.92Å; R101-Q248 HydrophobicContact CG-CG 3.84Å
249T75Confident87.5Confident113 Ų11328.1 Ų28.169%0.69315%0.149SC*.THydrogen-bonded Turntrans-102.214.4179.966.70000112.4S247 T251S247-T249 PolarHBondContact O-N 3.49Å; S247-T249 PolarHBondContact OG-N 3.4Å; S247-T249 PolarHBondContact OG-OG1 3.36Å; T249-T251 PolarHBondContact O-N 2.92Å
250S82.8Confident87.5Confident5 Ų528.9 Ų28.94%0.03515%0.151CC..  trans-59.8135.2176.4-178.70000110.5E39 Q103 V245 S247 L252E39-S250 PolarHBondContact OE1-OG 2.92Å; E39-S250 WeakPolarHBondContact OE2-CA 3.49Å; E39-S250 WeakPolarHBondContact OE2-CB 3.26Å; E39-S250 PolarHBondContact OE2-OG 3.28Å; Q103-S250 PolarHBondContact NE2-O 2.81Å; V245-S250 WeakPolarHBondContact CG1-OG 3.24Å; S247-S250 WeakPolarHBondContact O-CB 3.42Å; S247-S250 PolarHBondContact O-N 2.9Å; S247-S250 PolarHBondContact OG-N 3.39Å; S250-L252 PolarHBondContact OG-N 3.47Å
251T82.8Confident87.3Confident21 Ų2127.3 Ų27.313%0.12915%0.145CC..  trans-108.13.6173.765.70000111.5E39 T249 Y253 L254 H255 C455E39-T251 PolarHBondContact OE1-N 3.15Å; T249-T251 PolarHBondContact O-N 2.92Å; T251-Y253 VanDerWaalsContact C-N 3.34Å; T251-Y253 PolarHBondContact O-N 2.91Å; T251-L254 WeakPolarHBondContact O-CB 3.47Å; T251-L254 PolarHBondContact O-N 3.25Å; T251-L254 VanDerWaalsContact O-N 3.09Å; T251-H255 PolarHBondContact O-CD2 3.01Å; T251-H255 PolarHBondContact O-N 3.45Å; T251-H255 PolarHBondContact OG1-CD2 2.95Å; T251-H255 PolarHBondContact OG1-NE2 3.15Å; T251-C455 HydrophobicContact CG2-CB 4.5Å; T251-C455 WeakPolarHBondContact CG2-SG 3.46Å
252L87.9Confident87Confident2 Ų227.4 Ų27.41%0.0115%0.146CC..Hα-helixtrans-55.7-45.5-175.3-175.163.3000112.7T37 E39 A55 I105 L243 V245 S250 L254 H255 L256T37-L252 HydrophobicContact CG2-CD1 3.78Å; E39-L252 HydrophobicContact CB-CD2 4.45Å; E39-L252 HydrophobicContact CG-CB 4.45Å; E39-L252 PolarHBondContact OE1-N 3.21Å; A55-L252 HydrophobicContact CB-CD2 4Å; I105-L252 HydrophobicContact CD1-CB 4.17Å; I105-L252 HydrophobicContact CD1-CD2 4.11Å; I105-L252 HydrophobicContact CD1-CG 4.1Å; L243-L252 HydrophobicContact CD1-CD2 4.12Å; V245-L252 HydrophobicContact CG2-CB 4.4Å; V245-L252 HydrophobicContact CG2-CD2 3.62Å; S250-L252 PolarHBondContact OG-N 3.47Å; L252-L254 VanDerWaalsContact C-N 3.33Å; L252-L254 PolarHBondContact O-N 3.13Å; L252-H255 PolarHBondContact O-N 2.74Å; L252-L256 HydrophobicContact CD1-CD1 4.41Å; L252-L256 HydrophobicContact CG-CD1 3.98Å; L252-L256 WeakPolarHBondContact O-CB 3.39Å; L252-L256 WeakPolarHBondContact O-CG 3.23Å; L252-L256 PolarHBondContact O-N 3.34Å
253Y87.7Confident86.7Confident19 Ų1927.1 Ų27.18%0.07514%0.144CC..Hα-helixtrans-60.4-42.5178.4176.3-134.2000112.3I84 L86 I105 T251 L256 Q257I84-Y253 HydrophobicContact CG2-CD2 4.01Å; I84-Y253 HydrophobicContact CG2-CE2 3.84Å; L86-Y253 HydrophobicContact CB-CD1 4.18Å; L86-Y253 HydrophobicContact CB-CE1 3.69Å; L86-Y253 HydrophobicContact CB-CE2 4.39Å; L86-Y253 HydrophobicContact CD1-CD1 4.21Å; L86-Y253 HydrophobicContact CD1-CG 4.41Å; L86-Y253 HydrophobicContact CD2-CD1 4.47Å; L86-Y253 HydrophobicContact CD2-CE1 4.38Å; L86-Y253 HydrophobicContact CG-CE1 4.44Å; I105-Y253 HydrophobicContact CG1-CD2 4.35Å; I105-Y253 HydrophobicContact CG1-CG 4.38Å; I105-Y253 HydrophobicContact CG2-CD2 3.97Å; T251-Y253 VanDerWaalsContact C-N 3.34Å; T251-Y253 PolarHBondContact O-N 2.91Å; Y253-L256 WeakPolarHBondContact O-CB 3.38Å; Y253-L256 PolarHBondContact O-N 3.4Å; Y253-Q257 HydrophobicContact CD2-CG 4.03Å; Y253-Q257 VanDerWaalsContact CE2-CD 3.47Å; Y253-Q257 HydrophobicContact CE2-CG 3.6Å; Y253-Q257 WeakPolarHBondContact O-CG 3.37Å; Y253-Q257 PolarHBondContact O-N 3.1Å; Y253-Q257 VanDerWaalsContact OH-CD 3.32Å; Y253-Q257 PolarHBondContact OH-NE2 2.99Å; Y253-Q257 PolarHBondContact OH-OE1 3.31Å
254L82.6Confident86.6Confident11 Ų1127.3 Ų27.36%0.05815%0.145CC..Hα-helixtrans-63.5-49.1178.2-70165.6000111.5T251 L252 L256 Q257 S258 E451 R454 C455T251-L254 WeakPolarHBondContact O-CB 3.47Å; T251-L254 PolarHBondContact O-N 3.25Å; T251-L254 VanDerWaalsContact O-N 3.09Å; L252-L254 VanDerWaalsContact C-N 3.33Å; L252-L254 PolarHBondContact O-N 3.13Å; L254-L256 VanDerWaalsContact C-N 3.28Å; L254-L256 PolarHBondContact O-N 2.87Å; L254-Q257 PolarHBondContact O-N 3.43Å; L254-S258 WeakPolarHBondContact O-CB 3.39Å; L254-S258 PolarHBondContact O-N 3.34Å; L254-E451 WeakPolarHBondContact CD1-O 3.13Å; L254-R454 HydrophobicContact CD1-CB 3.42Å; L254-R454 VanDerWaalsContact CD1-CB 3.42Å; L254-R454 HydrophobicContact CD1-CG 4.43Å; L254-R454 HydrophobicContact CD2-CB 3.85Å; L254-R454 HydrophobicContact CD2-CG 3.95Å; L254-R454 HydrophobicContact CG-CB 3.91Å; L254-R454 HydrophobicContact CG-CG 4.45Å; L254-C455 WeakPolarHBondContact CD1-SG 3.22Å
255H85.8Confident86.5Confident30 Ų3026.5 Ų26.514%0.13914%0.142CC..Hα-helixtrans-63.3-38.2178.6-68.4-60.6000111.2T37 L57 T251 L252 S258 C259T37-H255 HydrophobicContact CG2-CB 3.71Å; L57-H255 VanDerWaalsContact CD2-C 3.41Å; L57-H255 HydrophobicContact CD2-CB 3.63Å; T251-H255 PolarHBondContact O-CD2 3.01Å; T251-H255 PolarHBondContact O-N 3.45Å; T251-H255 PolarHBondContact OG1-CD2 2.95Å; T251-H255 PolarHBondContact OG1-NE2 3.15Å; L252-H255 PolarHBondContact O-N 2.74Å; H255-S258 PolarHBondContact O-N 3.42Å; H255-C259 VanDerWaalsContact O-CB 3.22Å; H255-C259 WeakPolarHBondContact O-CB 3.48Å; H255-C259 PolarHBondContact O-N 3.16Å; H255-C259 PolarHBondContact O-SG 3.49Å
256L90.7Very high86.4Confident1 Ų129.4 Ų29.41%0.00516%0.155CC..Hα-helixtrans-59.3-49.5173.6-82.5166.1000111.8L57 V62 I84 I105 I107 L243 L252 Y253 L254 W260L57-L256 HydrophobicContact CD1-CD2 3.64Å; L57-L256 HydrophobicContact CD1-CG 4.44Å; L57-L256 HydrophobicContact CD2-CD2 4.19Å; L57-L256 HydrophobicContact CD2-CG 4.11Å; L57-L256 HydrophobicContact CG-CD2 4.49Å; V62-L256 HydrophobicContact CG2-CD2 3.65Å; I84-L256 HydrophobicContact CD1-CB 4.28Å; I84-L256 HydrophobicContact CG2-CB 4.44Å; I105-L256 HydrophobicContact CD1-CD1 4.19Å; I105-L256 HydrophobicContact CG2-CD1 4.04Å; I107-L256 HydrophobicContact CD1-CD1 4.15Å; I107-L256 HydrophobicContact CD1-CD2 4.23Å; L243-L256 HydrophobicContact CD1-CD1 4.14Å; L252-L256 HydrophobicContact CD1-CD1 4.41Å; L252-L256 HydrophobicContact CG-CD1 3.98Å; L252-L256 WeakPolarHBondContact O-CB 3.39Å; L252-L256 WeakPolarHBondContact O-CG 3.23Å; L252-L256 PolarHBondContact O-N 3.34Å; Y253-L256 WeakPolarHBondContact O-CB 3.38Å; Y253-L256 PolarHBondContact O-N 3.4Å; L254-L256 VanDerWaalsContact C-N 3.28Å; L254-L256 PolarHBondContact O-N 2.87Å; L256-W260 WeakPolarHBondContact O-CB 3.46Å; L256-W260 PolarHBondContact O-N 2.99Å
257Q87Confident86.6Confident48 Ų4828.2 Ų28.222%0.22415%0.149CC..Hα-helixtrans-62.7-44.4177.2-72-164.5-57.700112I84 Y253 L254 W260 N261I84-Q257 HydrophobicContact CG2-CG 4.41Å; Y253-Q257 HydrophobicContact CD2-CG 4.03Å; Y253-Q257 VanDerWaalsContact CE2-CD 3.47Å; Y253-Q257 HydrophobicContact CE2-CG 3.6Å; Y253-Q257 WeakPolarHBondContact O-CG 3.37Å; Y253-Q257 PolarHBondContact O-N 3.1Å; Y253-Q257 VanDerWaalsContact OH-CD 3.32Å; Y253-Q257 PolarHBondContact OH-NE2 2.99Å; Y253-Q257 PolarHBondContact OH-OE1 3.31Å; L254-Q257 PolarHBondContact O-N 3.43Å; Q257-W260 PolarHBondContact O-N 3.35Å; Q257-N261 VanDerWaalsContact O-CB 3.3Å; Q257-N261 WeakPolarHBondContact O-CB 3.48Å; Q257-N261 PolarHBondContact O-N 2.92Å; Q257-N261 PolarHBondContact O-ND2 3.48Å; Q257-N261 VanDerWaalsContact O-ND2 3.1Å
258S84.9Confident87.3Confident2 Ų226.5 Ų26.51%0.01414%0.137CC..Hα-helixtrans-64.6-43.5-179.9-166.20000111.6L254 H255 S262 E451L254-S258 WeakPolarHBondContact O-CB 3.39Å; L254-S258 PolarHBondContact O-N 3.34Å; H255-S258 PolarHBondContact O-N 3.42Å; S258-S262 WeakPolarHBondContact O-CB 3.49Å; S258-S262 PolarHBondContact O-N 3.14Å; S258-S262 PolarHBondContact O-OG 3.43Å; S258-E451 VanDerWaalsContact CB-OE1 3.3Å; S258-E451 WeakPolarHBondContact CB-OE1 3.24Å; S258-E451 PolarHBondContact OG-OE1 3.1Å
259C89.1Confident88.3Confident6 Ų621.2 Ų21.24%0.04111%0.112CC..Hα-helixtrans-64.8-44.8175.2-69.20000111.8L57 L78 H255 S262 F263L57-C259 HydrophobicContact CD1-CB 4.44Å; L57-C259 HydrophobicContact CD2-CB 4.31Å; L78-C259 HydrophobicContact CD1-CB 3.93Å; H255-C259 VanDerWaalsContact O-CB 3.22Å; H255-C259 WeakPolarHBondContact O-CB 3.48Å; H255-C259 PolarHBondContact O-N 3.16Å; H255-C259 PolarHBondContact O-SG 3.49Å; C259-S262 PolarHBondContact O-N 3.39Å; C259-F263 WeakPolarHBondContact O-CB 3.48Å; C259-F263 PolarHBondContact O-N 2.93Å
260W91Very high89.1Confident20 Ų2018.4 Ų18.48%0.0769%0.093CC..Hα-helixtrans-66-42.5179-177.347.7000112L78 V81 R82 I84 L256 Q257 F263 V264 P559L78-W260 HydrophobicContact CD2-CB 4.41Å; V81-W260 HydrophobicContact CB-CG 4.47Å; V81-W260 HydrophobicContact CB-CZ2 4.49Å; V81-W260 HydrophobicContact CG1-CD2 3.86Å; V81-W260 HydrophobicContact CG1-CE3 4.45Å; V81-W260 HydrophobicContact CG1-CG 4.16Å; V81-W260 HydrophobicContact CG1-CH2 4.47Å; V81-W260 HydrophobicContact CG1-CZ2 3.88Å; R82-W260 WeakPolarHBondContact O-CH2 3.23Å; I84-W260 HydrophobicContact CB-CE3 4.46Å; I84-W260 HydrophobicContact CD1-CB 3.67Å; I84-W260 HydrophobicContact CD1-CD2 4.02Å; I84-W260 HydrophobicContact CD1-CE3 3.89Å; I84-W260 HydrophobicContact CD1-CG 3.95Å; I84-W260 HydrophobicContact CG1-CD2 4.26Å; I84-W260 HydrophobicContact CG1-CE3 3.89Å; I84-W260 HydrophobicContact CG1-CZ3 4.36Å; L256-W260 WeakPolarHBondContact O-CB 3.46Å; L256-W260 PolarHBondContact O-N 2.99Å; Q257-W260 PolarHBondContact O-N 3.35Å; W260-F263 PolarHBondContact O-N 3Å; W260-V264 WeakPolarHBondContact O-CB 3.41Å; W260-V264 VanDerWaalsContact O-CG2 3.29Å; W260-V264 WeakPolarHBondContact O-CG2 3.33Å; W260-V264 PolarHBondContact O-N 2.91Å; W260-P559 HydrophobicContact CZ2-CG 4.44Å
261N89.1Confident89.6Confident28 Ų2821.2 Ų21.215%0.1511%0.107CC..Hα-helixtrans-60.4-47174.1-75.1-32.1000111.7Q257 F263 V264 I265Q257-N261 VanDerWaalsContact O-CB 3.3Å; Q257-N261 WeakPolarHBondContact O-CB 3.48Å; Q257-N261 PolarHBondContact O-N 2.92Å; Q257-N261 PolarHBondContact O-ND2 3.48Å; Q257-N261 VanDerWaalsContact O-ND2 3.1Å; N261-F263 VanDerWaalsContact C-N 3.33Å; N261-F263 PolarHBondContact O-N 2.88Å; N261-V264 PolarHBondContact O-N 3.07Å; N261-I265 WeakPolarHBondContact O-CG1 3.39Å; N261-I265 PolarHBondContact O-N 3.03Å
262S88.9Confident90.1Very high6 Ų622 Ų224%0.04211%0.111CC..Hα-helixtrans-61.4-43.9177.2-63.10000111.3S258 C259 I265 K266S258-S262 WeakPolarHBondContact O-CB 3.49Å; S258-S262 PolarHBondContact O-N 3.14Å; S258-S262 PolarHBondContact O-OG 3.43Å; C259-S262 PolarHBondContact O-N 3.39Å; S262-I265 PolarHBondContact O-N 3.48Å; S262-K266 WeakPolarHBondContact O-CB 3.32Å; S262-K266 PolarHBondContact O-N 3.15Å
263F91.4Very high90.1Very high25 Ų2526.2 Ų26.211%0.1114%0.138CC..Hα-helixtrans-59.2-49.1176.1174.4-84.7000111.2L78 E79 C259 W260 N261 I265 K266 S267L78-F263 HydrophobicContact CB-CB 4.19Å; L78-F263 HydrophobicContact CB-CD1 4.1Å; L78-F263 HydrophobicContact CB-CD2 4.05Å; L78-F263 HydrophobicContact CB-CG 3.81Å; L78-F263 HydrophobicContact CD1-CB 4.15Å; E79-F263 HydrophobicContact CB-CE1 3.96Å; E79-F263 HydrophobicContact CB-CE2 4.36Å; E79-F263 HydrophobicContact CB-CZ 3.49Å; E79-F263 VanDerWaalsContact CB-CZ 3.49Å; E79-F263 HydrophobicContact CG-CE1 4.42Å; E79-F263 HydrophobicContact CG-CZ 3.98Å; C259-F263 WeakPolarHBondContact O-CB 3.48Å; C259-F263 PolarHBondContact O-N 2.93Å; W260-F263 PolarHBondContact O-N 3Å; N261-F263 VanDerWaalsContact C-N 3.33Å; N261-F263 PolarHBondContact O-N 2.88Å; F263-I265 PolarHBondContact O-N 2.9Å; F263-K266 PolarHBondContact O-N 2.98Å; F263-S267 VanDerWaalsContact CE1-OG 3.3Å; F263-S267 WeakPolarHBondContact CE1-OG 3.26Å; F263-S267 WeakPolarHBondContact CE2-OG 3.42Å; F263-S267 WeakPolarHBondContact CZ-OG 3.48Å; F263-S267 WeakPolarHBondContact O-CB 3.2Å; F263-S267 PolarHBondContact O-N 3.42Å; F263-S267 PolarHBondContact O-OG 3.47Å
264V92.8Very high90.1Very high4 Ų429 Ų292%0.02416%0.157CC..Hα-helixtrans-61.5-46-178.9164.10000111W260 N261 T268 P555 I556 P559W260-V264 WeakPolarHBondContact O-CB 3.41Å; W260-V264 VanDerWaalsContact O-CG2 3.29Å; W260-V264 WeakPolarHBondContact O-CG2 3.33Å; W260-V264 PolarHBondContact O-N 2.91Å; N261-V264 PolarHBondContact O-N 3.07Å; V264-T268 WeakPolarHBondContact O-CB 3.24Å; V264-T268 PolarHBondContact O-N 3.28Å; V264-T268 PolarHBondContact O-OG1 2.97Å; V264-T268 VanDerWaalsContact O-OG1 3.14Å; V264-P555 HydrophobicContact CG1-CB 4.25Å; V264-P555 HydrophobicContact CG2-CB 4.32Å; V264-I556 HydrophobicContact CG1-CB 3.58Å; V264-I556 HydrophobicContact CG1-CD1 4.25Å; V264-I556 HydrophobicContact CG1-CG1 3.63Å; V264-P559 HydrophobicContact CG1-CG 4.39Å
265I92.4Very high90.3Very high3 Ų330.4 Ų30.42%0.01516%0.162CC..Hα-helixtrans-61.4-53.5176.8-69.7167.6000110.6N261 S262 F263 S267 T268 L269 R381 V506 F509 I556N261-I265 WeakPolarHBondContact O-CG1 3.39Å; N261-I265 PolarHBondContact O-N 3.03Å; S262-I265 PolarHBondContact O-N 3.48Å; F263-I265 PolarHBondContact O-N 2.9Å; I265-S267 PolarHBondContact O-N 3.46Å; I265-T268 PolarHBondContact O-N 3.29Å; I265-L269 HydrophobicContact CG2-CD1 3.81Å; I265-L269 HydrophobicContact CG2-CG 4.46Å; I265-L269 WeakPolarHBondContact O-CG 3.08Å; I265-L269 PolarHBondContact O-N 3.09Å; I265-R381 VanDerWaalsContact CG2-NH1 3.33Å; I265-V506 HydrophobicContact CG1-CG1 4.47Å; I265-V506 HydrophobicContact CG2-CG1 3.73Å; I265-V506 HydrophobicContact CG2-CG2 4.19Å; I265-F509 HydrophobicContact CD1-CD1 4.38Å; I265-F509 HydrophobicContact CD1-CE1 4.08Å; I265-F509 HydrophobicContact CG1-CD1 4.25Å; I265-F509 HydrophobicContact CG1-CE1 4.14Å; I265-I556 HydrophobicContact CG1-CD1 4.13Å
266K91.1Very high90.4Very high62 Ų6234.5 Ų34.527%0.2718%0.176SC..Hα-helixtrans-61.1-44.5-177.5-178179-179177.60111.6S262 F263 L269 L270 E382S262-K266 WeakPolarHBondContact O-CB 3.32Å; S262-K266 PolarHBondContact O-N 3.15Å; F263-K266 PolarHBondContact O-N 2.98Å; K266-L269 PolarHBondContact O-N 2.83Å; K266-L270 HydrophobicContact CG-CD1 4.06Å; K266-L270 HydrophobicContact CG-CG 4.42Å; K266-L270 WeakPolarHBondContact O-CB 3.47Å; K266-L270 VanDerWaalsContact O-CG 3.25Å; K266-L270 WeakPolarHBondContact O-CG 3.32Å; K266-L270 PolarHBondContact O-N 3.47Å; K266-E382 IonicContact NZ-OE1 3.96Å
267S92.3Very high90.1Very high25 Ų2542 Ų4218%0.17520%0.204CC..Hα-helixtrans-67.3-37.7-178.7-58.10000111.8F263 I265F263-S267 VanDerWaalsContact CE1-OG 3.3Å; F263-S267 WeakPolarHBondContact CE1-OG 3.26Å; F263-S267 WeakPolarHBondContact CE2-OG 3.42Å; F263-S267 WeakPolarHBondContact CZ-OG 3.48Å; F263-S267 WeakPolarHBondContact O-CB 3.2Å; F263-S267 PolarHBondContact O-N 3.42Å; F263-S267 PolarHBondContact O-OG 3.47Å; I265-S267 PolarHBondContact O-N 3.46Å
268T95.6Very high89.9Confident0 Ų045.4 Ų45.40%022%0.215CC..Hα-helixtrans-61.7-52.3169.1-66.20000110.5V264 I265 L270 L271 P502 V506 Y554 P555 I556V264-T268 WeakPolarHBondContact O-CB 3.24Å; V264-T268 PolarHBondContact O-N 3.28Å; V264-T268 PolarHBondContact O-OG1 2.97Å; V264-T268 VanDerWaalsContact O-OG1 3.14Å; I265-T268 PolarHBondContact O-N 3.29Å; T268-L270 VanDerWaalsContact C-N 3.25Å; T268-L270 PolarHBondContact O-N 3.41Å; T268-L271 VanDerWaalsContact O-CB 3.25Å; T268-L271 WeakPolarHBondContact O-CB 3.46Å; T268-L271 PolarHBondContact O-N 2.9Å; T268-P502 HydrophobicContact CG2-CB 4.02Å; T268-P502 WeakPolarHBondContact O-CB 3.38Å; T268-V506 HydrophobicContact CG2-CG2 3.92Å; T268-Y554 HydrophobicContact CG2-CD2 4.5Å; T268-Y554 HydrophobicContact CG2-CG 4.28Å; T268-P555 WeakPolarHBondContact OG1-CD 3.27Å; T268-I556 HydrophobicContact CG2-CG2 3.9Å; T268-I556 WeakPolarHBondContact OG1-CB 3.39Å; T268-I556 WeakPolarHBondContact OG1-CG2 3.43Å; T268-I556 PolarHBondContact OG1-N 3.23Å
269L93.5Very high89.7Confident15 Ų1546 Ų468%0.07922%0.219CC..Hα-helixtrans-59-35.5-178.7-67.9169.2000112.7I265 K266 L271 D272 Y275 A503 V506I265-L269 HydrophobicContact CG2-CD1 3.81Å; I265-L269 HydrophobicContact CG2-CG 4.46Å; I265-L269 WeakPolarHBondContact O-CG 3.08Å; I265-L269 PolarHBondContact O-N 3.09Å; K266-L269 PolarHBondContact O-N 2.83Å; L269-L271 PolarHBondContact O-N 3.34Å; L269-L271 VanDerWaalsContact O-N 3.13Å; L269-D272 WeakPolarHBondContact O-CB 3.13Å; L269-D272 PolarHBondContact O-N 3.47Å; L269-Y275 VanDerWaalsContact C-CD1 3.48Å; L269-Y275 HydrophobicContact CB-CD1 3.48Å; L269-Y275 VanDerWaalsContact CB-CD1 3.48Å; L269-Y275 HydrophobicContact CB-CD2 4.1Å; L269-Y275 HydrophobicContact CB-CE1 3.42Å; L269-Y275 VanDerWaalsContact CB-CE1 3.42Å; L269-Y275 HydrophobicContact CB-CE2 4.05Å; L269-Y275 HydrophobicContact CB-CG 3.82Å; L269-Y275 HydrophobicContact CD1-CD2 4.49Å; L269-Y275 HydrophobicContact CD1-CE1 4.25Å; L269-Y275 HydrophobicContact CD1-CE2 3.82Å; L269-Y275 HydrophobicContact CD2-CD2 4.44Å; L269-Y275 HydrophobicContact CG-CE1 4.43Å; L269-Y275 HydrophobicContact CG-CE2 4.34Å; L269-Y275 WeakPolarHBondContact O-CB 3.38Å; L269-Y275 WeakPolarHBondContact O-CD1 3.36Å; L269-A503 HydrophobicContact CD2-CB 4.47Å; L269-V506 HydrophobicContact CD2-CB 4.19Å; L269-V506 HydrophobicContact CD2-CG2 3.84Å; L269-V506 HydrophobicContact CG-CG2 3.84Å
270L92.6Very high89.1Confident53 Ų5348.9 Ų48.928%0.27724%0.237SC..THydrogen-bonded Turntrans-65.6-10.6176-74.2172.5000114.1K266 T268 D272 Y275 R276K266-L270 HydrophobicContact CG-CD1 4.06Å; K266-L270 HydrophobicContact CG-CG 4.42Å; K266-L270 WeakPolarHBondContact O-CB 3.47Å; K266-L270 VanDerWaalsContact O-CG 3.25Å; K266-L270 WeakPolarHBondContact O-CG 3.32Å; K266-L270 PolarHBondContact O-N 3.47Å; T268-L270 VanDerWaalsContact C-N 3.25Å; T268-L270 PolarHBondContact O-N 3.41Å; L270-D272 VanDerWaalsContact C-N 3.3Å; L270-Y275 HydrophobicContact CD2-CD1 4.34Å; L270-Y275 HydrophobicContact CD2-CE1 4.4Å; L270-R276 HydrophobicContact CD2-CG 4.43Å; L270-R276 VanDerWaalsContact O-CZ 3.23Å; L270-R276 PolarHBondContact O-NE 3.19Å; L270-R276 PolarHBondContact O-NH2 3.47Å
271L93Very high88Confident64 Ų6452.6 Ų52.634%0.33526%0.263SS..THydrogen-bonded Turntrans-77.1-18.7171.2-60.7173.8000112.5T268 L269 P273 P502 Y554T268-L271 VanDerWaalsContact O-CB 3.25Å; T268-L271 WeakPolarHBondContact O-CB 3.46Å; T268-L271 PolarHBondContact O-N 2.9Å; L269-L271 PolarHBondContact O-N 3.34Å; L269-L271 VanDerWaalsContact O-N 3.13Å; L271-P273 WeakPolarHBondContact O-CD 3.47Å; L271-P502 HydrophobicContact CB-CG 4.12Å; L271-Y554 HydrophobicContact CB-CE1 4.43Å; L271-Y554 HydrophobicContact CD1-CD1 3.33Å; L271-Y554 HydrophobicContact CD1-CE1 3.75Å; L271-Y554 HydrophobicContact CD1-CG 4.41Å
272D92.2Very high86.8Confident39 Ų3954.9 Ų54.921%0.20928%0.281CS..SBendtrans-79.5120.4170.6177.2-5.8000109.6L269 L270 V274 Y275 R276 P502L269-D272 WeakPolarHBondContact O-CB 3.13Å; L269-D272 PolarHBondContact O-N 3.47Å; L270-D272 VanDerWaalsContact C-N 3.3Å; D272-V274 VanDerWaalsContact C-N 3.25Å; D272-V274 PolarHBondContact O-N 3.12Å; D272-V274 WeakPolarHBondContact OD1-CB 3.34Å; D272-V274 PolarHBondContact OD1-N 2.81Å; D272-Y275 PolarHBondContact O-N 2.83Å; D272-R276 VanDerWaalsContact O-CB 3.29Å; D272-R276 WeakPolarHBondContact O-CB 3.47Å; D272-R276 PolarHBondContact O-N 2.65Å; D272-P502 HydrophobicContact CB-CB 4.05Å; D272-P502 HydrophobicContact CB-CG 3.9Å
273P88.8Confident85.1Confident90 Ų9060 Ų6058%0.58432%0.317SS*.Hα-helixtrans-55.4-36.8177.7-24.534.1000114L271 R277L271-P273 WeakPolarHBondContact O-CD 3.47Å; P273-R277 WeakPolarHBondContact O-CB 3.44Å; P273-R277 PolarHBondContact O-N 2.92Å
274V87.4Confident83.4Confident77 Ų7764.8 Ų64.847%0.46734%0.344SS..Hα-helixtrans-70.2-48.4-178.4179.90000109.8D272 R276 R277 R278D272-V274 VanDerWaalsContact C-N 3.25Å; D272-V274 PolarHBondContact O-N 3.12Å; D272-V274 WeakPolarHBondContact OD1-CB 3.34Å; D272-V274 PolarHBondContact OD1-N 2.81Å; V274-R276 VanDerWaalsContact C-N 3.33Å; V274-R276 PolarHBondContact O-N 2.91Å; V274-R277 PolarHBondContact O-N 3.29Å; V274-R278 WeakPolarHBondContact O-CG 3.5Å; V274-R278 PolarHBondContact O-N 3.31Å; V274-R278 VanDerWaalsContact O-N 3.11Å
275Y86.4Confident82Confident40 Ų4070.2 Ų70.216%0.15738%0.382CS..Hα-helixtrans-62.9-40.7176.2-173.5-86.9000111.9L269 L270 D272 R278 S279 H324L269-Y275 VanDerWaalsContact C-CD1 3.48Å; L269-Y275 HydrophobicContact CB-CD1 3.48Å; L269-Y275 VanDerWaalsContact CB-CD1 3.48Å; L269-Y275 HydrophobicContact CB-CD2 4.1Å; L269-Y275 HydrophobicContact CB-CE1 3.42Å; L269-Y275 VanDerWaalsContact CB-CE1 3.42Å; L269-Y275 HydrophobicContact CB-CE2 4.05Å; L269-Y275 HydrophobicContact CB-CG 3.82Å; L269-Y275 HydrophobicContact CD1-CD2 4.49Å; L269-Y275 HydrophobicContact CD1-CE1 4.25Å; L269-Y275 HydrophobicContact CD1-CE2 3.82Å; L269-Y275 HydrophobicContact CD2-CD2 4.44Å; L269-Y275 HydrophobicContact CG-CE1 4.43Å; L269-Y275 HydrophobicContact CG-CE2 4.34Å; L269-Y275 WeakPolarHBondContact O-CB 3.38Å; L269-Y275 WeakPolarHBondContact O-CD1 3.36Å; L270-Y275 HydrophobicContact CD2-CD1 4.34Å; L270-Y275 HydrophobicContact CD2-CE1 4.4Å; D272-Y275 PolarHBondContact O-N 2.83Å; Y275-R278 PolarHBondContact O-N 3.34Å; Y275-S279 WeakPolarHBondContact CD1-OG 3.43Å; Y275-S279 WeakPolarHBondContact CE1-OG 3.38Å; Y275-S279 VanDerWaalsContact CZ-OG 3.3Å; Y275-S279 WeakPolarHBondContact O-CB 3.18Å; Y275-S279 PolarHBondContact O-N 3.49Å; Y275-S279 PolarHBondContact O-OG 3.25Å; Y275-H324 AromaticContact CE2-CE1 3.66Å; Y275-H324 AromaticContact CE2-ND1 3.93Å; Y275-H324 AromaticContact CZ-ND1 3.93Å; Y275-H324 PolarHBondContact OH-ND1 3.04Å
276R87.8Confident81.1Confident116 Ų11674.4 Ų74.444%0.43840%0.403SS..Hα-helixtrans-58-52176-173.6-174.4-60.8155.73110.7L270 D272 V274 R278 S279 T280L270-R276 HydrophobicContact CD2-CG 4.43Å; L270-R276 VanDerWaalsContact O-CZ 3.23Å; L270-R276 PolarHBondContact O-NE 3.19Å; L270-R276 PolarHBondContact O-NH2 3.47Å; D272-R276 VanDerWaalsContact O-CB 3.29Å; D272-R276 WeakPolarHBondContact O-CB 3.47Å; D272-R276 PolarHBondContact O-N 2.65Å; V274-R276 VanDerWaalsContact C-N 3.33Å; V274-R276 PolarHBondContact O-N 2.91Å; R276-R278 VanDerWaalsContact C-N 3.25Å; R276-R278 PolarHBondContact O-N 3.49Å; R276-S279 PolarHBondContact O-N 2.87Å; R276-S279 VanDerWaalsContact O-N 3.12Å; R276-T280 HydrophobicContact CG-CG2 3.93Å; R276-T280 WeakPolarHBondContact O-CB 3.42Å; R276-T280 VanDerWaalsContact O-CG2 3.32Å; R276-T280 WeakPolarHBondContact O-CG2 3.39Å; R276-T280 PolarHBondContact O-N 3.47Å; R276-T280 PolarHBondContact O-OG1 2.88Å
277R85.6Confident80.7Confident159 Ų15974.5 Ų74.560%0.641%0.412SS*.Hα-helixtrans-57.7-37.2178.3-168.7-170.6-69.5-178.33.1112.1D178 E180 P273 V274 T280D178-R277 IonicContact OD2-NH1 3.69Å; D178-R277 PolarHBondContact OD2-NH1 3.2Å; E180-R277 IonicContact OE2-NH1 3.96Å; P273-R277 WeakPolarHBondContact O-CB 3.44Å; P273-R277 PolarHBondContact O-N 2.92Å; V274-R277 PolarHBondContact O-N 3.29Å; R277-T280 PolarHBondContact O-OG1 3.18Å
278R82.5Confident80.2Confident120 Ų12075.4 Ų75.445%0.45342%0.421SS..Hα-helixtrans-72-37.5177.2-69.6177.6-172.7175.83.1112.9V274 Y275 R276 R325V274-R278 WeakPolarHBondContact O-CG 3.5Å; V274-R278 PolarHBondContact O-N 3.31Å; V274-R278 VanDerWaalsContact O-N 3.11Å; Y275-R278 PolarHBondContact O-N 3.34Å; R276-R278 VanDerWaalsContact C-N 3.25Å; R276-R278 PolarHBondContact O-N 3.49Å; R278-R325 VanDerWaalsContact O-CG 3.24Å; R278-R325 WeakPolarHBondContact O-CG 3.46Å; R278-R325 PolarHBondContact O-NE 2.98Å
279S80.1Confident79.7Confident14 Ų1482.4 Ų82.410%0.09845%0.454CS..Hα-helixtrans-93.6-20.5-171.5-55.50000114.6Y275 R276Y275-S279 WeakPolarHBondContact CD1-OG 3.43Å; Y275-S279 WeakPolarHBondContact CE1-OG 3.38Å; Y275-S279 VanDerWaalsContact CZ-OG 3.3Å; Y275-S279 WeakPolarHBondContact O-CB 3.18Å; Y275-S279 PolarHBondContact O-N 3.49Å; Y275-S279 PolarHBondContact O-OG 3.25Å; R276-S279 PolarHBondContact O-N 2.87Å; R276-S279 VanDerWaalsContact O-N 3.12Å
280T76.9Confident79.5Confident67 Ų6788 Ų8841%0.41147%0.474SS..SBendtrans-67.5124.7177.444.10000110.1R276 R277R276-T280 HydrophobicContact CG-CG2 3.93Å; R276-T280 WeakPolarHBondContact O-CB 3.42Å; R276-T280 VanDerWaalsContact O-CG2 3.32Å; R276-T280 WeakPolarHBondContact O-CG2 3.39Å; R276-T280 PolarHBondContact O-N 3.47Å; R276-T280 PolarHBondContact O-OG1 2.88Å; R277-T280 PolarHBondContact O-OG1 3.18Å
281P68.2Low79.4Confident97 Ų9785.9 Ų85.963%0.6346%0.463SS*.PPolyproline II helixtrans-61.7145172.526-31.7000109.6
282S63.2Low79.3Confident76 Ų7684.5 Ų84.553%0.53146%0.461SS..PPolyproline II helixtrans-57.7150.8170.8-173.40000109.7D284S282-D284 PolarHBondContact O-N 2.94Å; S282-D284 VanDerWaalsContact O-N 3.12Å
283S53.3Low79.3Confident115 Ų11588.8 Ų88.880%0.80448%0.479SS*.SBendtrans-56.6-24.5173.450.10000112.4S285S283-S285 PolarHBondContact O-N 3.33Å
284D56.8Low79.6Confident125 Ų12587.3 Ų87.367%0.66847%0.467SS*.SBendtrans-82.9101.7175.1-61.3-17.8000109.7S282 I286S282-D284 PolarHBondContact O-N 2.94Å; S282-D284 VanDerWaalsContact O-N 3.12Å; D284-I286 PolarHBondContact O-N 3.03Å
285S61.5Low79.9Confident118 Ų11884.2 Ų84.283%0.82545%0.447SS*.  trans-67.1102.1177.362.10000110.5S283 S287S283-S285 PolarHBondContact O-N 3.33Å; S285-S287 PolarHBondContact O-N 3.44Å
286I75Confident80.3Confident90 Ų9085.1 Ų85.146%0.46246%0.462SS..  trans-65130.1172.3-58.4176000108.8D284 R290D284-I286 PolarHBondContact O-N 3.03Å; I286-R290 HydrophobicContact CG2-CB 3.74Å; I286-R290 HydrophobicContact CG2-CG 3.73Å
287S81.9Confident80.6Confident65 Ų6583.1 Ų83.146%0.45546%0.458SS..  trans-63.9154178.275.70000111.8S285 E289 R290 T291S285-S287 PolarHBondContact O-N 3.44Å; S287-E289 PolarHBondContact O-N 3.2Å; S287-R290 PolarHBondContact O-N 3.01Å; S287-R290 WeakPolarHBondContact OG-CB 3.44Å; S287-R290 PolarHBondContact OG-N 3.16Å; S287-R290 VanDerWaalsContact OG-N 3.1Å; S287-T291 PolarHBondContact O-N 3Å; S287-T291 PolarHBondContact O-OG1 3.35Å
288A81.5Confident81.1Confident43 Ų4376.1 Ų76.136%0.35543%0.432SS..Hα-helixtrans-59.4-37.9176.700000112T291 A292A288-T291 WeakPolarHBondContact O-CB 3.44Å; A288-T291 PolarHBondContact O-N 3.47Å; A288-A292 PolarHBondContact O-N 3.45Å
289E86.3Confident81.6Confident148 Ų14871 Ų7169%0.69242%0.415SS*.Hα-helixtrans-64.1-44.5175.6-69.4167.8-165.200111.4S287 T291 A292 H293S287-E289 PolarHBondContact O-N 3.2Å; E289-T291 VanDerWaalsContact C-N 3.31Å; E289-T291 PolarHBondContact O-N 3.21Å; E289-A292 PolarHBondContact O-N 2.94Å; E289-H293 PolarHBondContact O-N 3.35Å; E289-H293 PolarHBondContact O-ND1 3.47Å
290R88.5Confident82.3Confident132 Ų13273.7 Ų73.750%0.49843%0.434SS..Hα-helixtrans-64.9-39.2176.8-175.760.1175.81792.8111.3I286 S287 A292 H293 L294I286-R290 HydrophobicContact CG2-CB 3.74Å; I286-R290 HydrophobicContact CG2-CG 3.73Å; S287-R290 PolarHBondContact O-N 3.01Å; S287-R290 WeakPolarHBondContact OG-CB 3.44Å; S287-R290 PolarHBondContact OG-N 3.16Å; S287-R290 VanDerWaalsContact OG-N 3.1Å; R290-A292 VanDerWaalsContact C-N 3.3Å; R290-A292 PolarHBondContact O-N 3.23Å; R290-H293 PolarHBondContact O-N 3.34Å; R290-L294 HydrophobicContact CG-CD1 4.12Å; R290-L294 HydrophobicContact CG-CG 4.45Å; R290-L294 VanDerWaalsContact O-CG 3.3Å; R290-L294 WeakPolarHBondContact O-CG 3.24Å; R290-L294 PolarHBondContact O-N 3.4Å
291T89.9Confident83.2Confident8 Ų872.1 Ų72.15%0.04942%0.422CS..Hα-helixtrans-58.4-43.4173-560000111.1S287 A288 E289 L294 F295 N326 L329 L332S287-T291 PolarHBondContact O-N 3Å; S287-T291 PolarHBondContact O-OG1 3.35Å; A288-T291 WeakPolarHBondContact O-CB 3.44Å; A288-T291 PolarHBondContact O-N 3.47Å; E289-T291 VanDerWaalsContact C-N 3.31Å; E289-T291 PolarHBondContact O-N 3.21Å; T291-L294 PolarHBondContact O-N 3.45Å; T291-F295 WeakPolarHBondContact O-CB 3.36Å; T291-F295 PolarHBondContact O-N 3.08Å; T291-N326 VanDerWaalsContact CG2-ND2 3.3Å; T291-N326 WeakPolarHBondContact CG2-ND2 3.49Å; T291-N326 PolarHBondContact OG1-ND2 3.19Å; T291-L329 HydrophobicContact CG2-CB 4.08Å; T291-L332 HydrophobicContact CG2-CD1 4.38Å
292A91.2Very high84.4Confident36 Ų3667.6 Ų67.630%0.29839%0.392SS..Hα-helixtrans-64.2-44.1178.500000112.6A288 E289 R290 F295 A296 L332A288-A292 PolarHBondContact O-N 3.45Å; E289-A292 PolarHBondContact O-N 2.94Å; R290-A292 VanDerWaalsContact C-N 3.3Å; R290-A292 PolarHBondContact O-N 3.23Å; A292-F295 PolarHBondContact O-N 3.35Å; A292-A296 WeakPolarHBondContact O-CB 3.45Å; A292-A296 PolarHBondContact O-N 2.95Å; A292-L332 HydrophobicContact CB-CD1 3.98Å
293H93.1Very high85.8Confident128 Ų12866.5 Ų66.559%0.59338%0.38SS*.Hα-helixtrans-62.7-46.1176.1-71.797.9000112.3E289 R290 F295 A296 Q297E289-H293 PolarHBondContact O-N 3.35Å; E289-H293 PolarHBondContact O-ND1 3.47Å; R290-H293 PolarHBondContact O-N 3.34Å; H293-F295 VanDerWaalsContact C-N 3.34Å; H293-F295 PolarHBondContact O-N 3.3Å; H293-A296 PolarHBondContact O-N 3.33Å; H293-Q297 WeakPolarHBondContact O-CB 3.46Å; H293-Q297 PolarHBondContact O-N 3.27Å
294L93.6Very high87.7Confident60 Ų6067 Ų6731%0.31437%0.37SS..Hα-helixtrans-63.7-40.6178.4-69.3173.1000111.6R290 T291 Q297 L298R290-L294 HydrophobicContact CG-CD1 4.12Å; R290-L294 HydrophobicContact CG-CG 4.45Å; R290-L294 VanDerWaalsContact O-CG 3.3Å; R290-L294 WeakPolarHBondContact O-CG 3.24Å; R290-L294 PolarHBondContact O-N 3.4Å; T291-L294 PolarHBondContact O-N 3.45Å; L294-Q297 PolarHBondContact O-N 3.49Å; L294-L298 WeakPolarHBondContact O-CB 3.33Å; L294-L298 PolarHBondContact O-N 3.46Å
295F94.9Very high89Confident12 Ų1268.5 Ų68.55%0.05338%0.378CS..Hα-helixtrans-64.4-44.6175174-99.1000111.9T291 A292 H293 Q297 L298 S299 L319 L329 L332 F333 S336T291-F295 WeakPolarHBondContact O-CB 3.36Å; T291-F295 PolarHBondContact O-N 3.08Å; A292-F295 PolarHBondContact O-N 3.35Å; H293-F295 VanDerWaalsContact C-N 3.34Å; H293-F295 PolarHBondContact O-N 3.3Å; F295-Q297 VanDerWaalsContact C-N 3.31Å; F295-Q297 PolarHBondContact O-N 2.89Å; F295-L298 PolarHBondContact O-N 3.42Å; F295-S299 VanDerWaalsContact O-CB 3.29Å; F295-S299 WeakPolarHBondContact O-CB 3.3Å; F295-S299 PolarHBondContact O-N 2.99Å; F295-L319 HydrophobicContact CD2-CD1 4.37Å; F295-L319 HydrophobicContact CE2-CD1 4.19Å; F295-L329 HydrophobicContact CD2-CD2 4.29Å; F295-L329 HydrophobicContact CD2-CG 4Å; F295-L332 HydrophobicContact CB-CD1 4.22Å; F295-L332 HydrophobicContact CD1-CB 3.66Å; F295-L332 HydrophobicContact CD1-CD1 4.43Å; F295-L332 HydrophobicContact CE1-CB 3.95Å; F295-L332 HydrophobicContact CG-CB 4.06Å; F295-L332 HydrophobicContact CG-CD1 4.45Å; F295-F333 HydrophobicContact CE2-CB 4.1Å; F295-F333 HydrophobicContact CZ-CB 4.18Å; F295-S336 WeakPolarHBondContact CZ-OG 3.03Å
296A94.1Very high89.8Confident58 Ų5866.8 Ų66.848%0.47938%0.378SS..Hα-helixtrans-60.7-42.8178.100000111.5A292 H293 S299 S300A292-A296 WeakPolarHBondContact O-CB 3.45Å; A292-A296 PolarHBondContact O-N 2.95Å; H293-A296 PolarHBondContact O-N 3.33Å; A296-S299 PolarHBondContact O-N 3.33Å; A296-S300 WeakPolarHBondContact O-CB 3.4Å; A296-S300 PolarHBondContact O-N 2.98Å; A296-S300 PolarHBondContact O-OG 3.41Å
297Q94.8Very high90.3Very high75 Ų7564.5 Ų64.535%0.3537%0.369SS..Hα-helixtrans-60.6-53.2174.1179178.1-800111.4H293 L294 F295 S299 S300 E301H293-Q297 WeakPolarHBondContact O-CB 3.46Å; H293-Q297 PolarHBondContact O-N 3.27Å; L294-Q297 PolarHBondContact O-N 3.49Å; F295-Q297 VanDerWaalsContact C-N 3.31Å; F295-Q297 PolarHBondContact O-N 2.89Å; Q297-S299 VanDerWaalsContact C-N 3.28Å; Q297-S299 PolarHBondContact O-N 2.9Å; Q297-S300 PolarHBondContact O-N 3.45Å; Q297-S300 VanDerWaalsContact O-N 3.1Å; Q297-S300 PolarHBondContact O-OG 2.89Å; Q297-E301 WeakPolarHBondContact CG-OE1 3.37Å; Q297-E301 PolarHBondContact NE2-OE1 3.48Å; Q297-E301 WeakPolarHBondContact O-CG 3.42Å; Q297-E301 PolarHBondContact O-N 3.28Å
298L95.1Very high90.7Very high11 Ų1164.8 Ų64.86%0.05837%0.368CS..Hα-helixtrans-58.8-41-180-175.167.1000111.9L294 F295 E301 L302 L315 E318 L319L294-L298 WeakPolarHBondContact O-CB 3.33Å; L294-L298 PolarHBondContact O-N 3.46Å; F295-L298 PolarHBondContact O-N 3.42Å; L298-E301 PolarHBondContact O-N 3.49Å; L298-L302 VanDerWaalsContact O-CB 3.32Å; L298-L302 WeakPolarHBondContact O-CB 3.49Å; L298-L302 PolarHBondContact O-N 2.8Å; L298-L315 HydrophobicContact CD1-CB 4.33Å; L298-L315 HydrophobicContact CD1-CD2 3.75Å; L298-E318 HydrophobicContact CD1-CB 4.24Å; L298-E318 HydrophobicContact CD1-CG 4.23Å; L298-E318 HydrophobicContact CD2-CG 4.46Å; L298-L319 HydrophobicContact CD2-CB 3.73Å; L298-L319 HydrophobicContact CD2-CD1 3.8Å; L298-L319 HydrophobicContact CD2-CG 4.37Å
299S94.7Very high91Very high12 Ų1266.8 Ų66.88%0.08438%0.376CS..Hα-helixtrans-64.7-41.2176.3-1670000111.6F295 A296 Q297 E301 L302 L303F295-S299 VanDerWaalsContact O-CB 3.29Å; F295-S299 WeakPolarHBondContact O-CB 3.3Å; F295-S299 PolarHBondContact O-N 2.99Å; A296-S299 PolarHBondContact O-N 3.33Å; Q297-S299 VanDerWaalsContact C-N 3.28Å; Q297-S299 PolarHBondContact O-N 2.9Å; S299-E301 VanDerWaalsContact C-N 3.32Å; S299-E301 PolarHBondContact O-N 3.22Å; S299-L302 PolarHBondContact O-N 3.07Å; S299-L303 WeakPolarHBondContact O-CB 3.26Å; S299-L303 WeakPolarHBondContact O-CG 3.35Å; S299-L303 PolarHBondContact O-N 2.89Å
300S94.1Very high91.2Very high71 Ų7167 Ų6750%0.49738%0.377SS..Hα-helixtrans-64.9-36.9178.568.40000112.7A296 Q297 Q304A296-S300 WeakPolarHBondContact O-CB 3.4Å; A296-S300 PolarHBondContact O-N 2.98Å; A296-S300 PolarHBondContact O-OG 3.41Å; Q297-S300 PolarHBondContact O-N 3.45Å; Q297-S300 VanDerWaalsContact O-N 3.1Å; Q297-S300 PolarHBondContact O-OG 2.89Å; S300-Q304 PolarHBondContact O-N 2.93Å
301E94.9Very high91.3Very high34 Ų3464.8 Ų64.816%0.15937%0.374CS..Hα-helixtrans-73.4-38.3177-67.3173.8-151.500111.3R172 Q297 L298 S299 L303 Q304 L315R172-E301 IonicContact CZ-OE1 2.78Å; R172-E301 VanDerWaalsContact CZ-OE1 3.3Å; R172-E301 IonicContact CZ-OE2 3.65Å; R172-E301 IonicContact NH1-OE1 2.83Å; R172-E301 IonicContact NH1-OE2 3.93Å; R172-E301 PolarHBondContact NH1-OE2 3.07Å; R172-E301 IonicContact NH2-OE1 3.38Å; R172-E301 PolarHBondContact NH2-OE1 3.27Å; R172-E301 IonicContact NH2-OE2 3.3Å; R172-E301 PolarHBondContact NH2-OE2 3.49Å; Q297-E301 WeakPolarHBondContact CG-OE1 3.37Å; Q297-E301 PolarHBondContact NE2-OE1 3.48Å; Q297-E301 WeakPolarHBondContact O-CG 3.42Å; Q297-E301 PolarHBondContact O-N 3.28Å; L298-E301 PolarHBondContact O-N 3.49Å; S299-E301 VanDerWaalsContact C-N 3.32Å; S299-E301 PolarHBondContact O-N 3.22Å; E301-L303 VanDerWaalsContact C-N 3.3Å; E301-L303 PolarHBondContact O-N 3.29Å; E301-Q304 WeakPolarHBondContact O-CB 3.16Å; E301-Q304 PolarHBondContact O-N 2.78Å; E301-L315 HydrophobicContact CB-CD1 4.01Å; E301-L315 HydrophobicContact CB-CD2 4.05Å; E301-L315 WeakPolarHBondContact OE2-CD2 3.49Å
302L93.9Very high91.5Very high3 Ų365.1 Ų65.12%0.01638%0.376CS..Hα-helixtrans-62.8-39.3176.4-168.380.7000111.9L298 S299 Q304 L312 L315 L316 A339 F342L298-L302 VanDerWaalsContact O-CB 3.32Å; L298-L302 WeakPolarHBondContact O-CB 3.49Å; L298-L302 PolarHBondContact O-N 2.8Å; S299-L302 PolarHBondContact O-N 3.07Å; L302-Q304 VanDerWaalsContact C-N 3.29Å; L302-L312 HydrophobicContact CD1-CD1 3.62Å; L302-L312 HydrophobicContact CG-CD1 4.41Å; L302-L315 HydrophobicContact CD1-CB 4.02Å; L302-L316 HydrophobicContact CD1-CD2 3.59Å; L302-L316 HydrophobicContact CD1-CG 3.86Å; L302-L316 HydrophobicContact CD2-CD2 4.3Å; L302-A339 HydrophobicContact CD2-CB 4.42Å; L302-F342 HydrophobicContact CD1-CE1 4.22Å; L302-F342 HydrophobicContact CD2-CD1 3.83Å; L302-F342 HydrophobicContact CD2-CE1 4.01Å; L302-F342 HydrophobicContact CG-CD1 4Å; L302-F342 HydrophobicContact CG-CE1 3.69Å; L302-F342 WeakPolarHBondContact O-CZ 3.44Å
303L93.4Very high91.6Very high52 Ų5267.2 Ų67.227%0.27238%0.377SS..THydrogen-bonded Turntrans-87.54-177.7-62172.3000112.9S299 E301 E338 F342S299-L303 WeakPolarHBondContact O-CB 3.26Å; S299-L303 WeakPolarHBondContact O-CG 3.35Å; S299-L303 PolarHBondContact O-N 2.89Å; E301-L303 VanDerWaalsContact C-N 3.3Å; E301-L303 PolarHBondContact O-N 3.29Å; L303-E338 HydrophobicContact CD1-CB 3.76Å; L303-F342 HydrophobicContact CD2-CB 3.4Å; L303-F342 VanDerWaalsContact CD2-CB 3.4Å; L303-F342 HydrophobicContact CD2-CD1 4.26Å; L303-F342 HydrophobicContact CD2-CD2 3.9Å; L303-F342 HydrophobicContact CD2-CG 3.6Å
304Q92.3Very high91.7Very high125 Ų12566 Ų6658%0.58437%0.374SS*.  trans-73.5130.1-178.6-172.5175.6-0.500111.2S300 E301 L302 T307S300-Q304 PolarHBondContact O-N 2.93Å; E301-Q304 WeakPolarHBondContact O-CB 3.16Å; E301-Q304 PolarHBondContact O-N 2.78Å; L302-Q304 VanDerWaalsContact C-N 3.29Å; Q304-T307 PolarHBondContact O-OG1 3.46Å
305D83.5Confident91.9Very high158 Ų15863.9 Ų63.985%0.84536%0.363SS*.THydrogen-bonded Turntrans-61.8139.2174.6-68.2-32.7000111.7
306G79.4Confident91.9Very high81 Ų8163.3 Ų63.384%0.83536%0.36SS*.THydrogen-bonded Turntrans79.413.717700000115.1T308G306-T308 PolarHBondContact O-N 3.02Å
307T86.3Confident92Very high43 Ų4363.4 Ų63.426%0.26435%0.351SS..  trans-63128.4174-58.90000110.6Q304 N311 L312 L315Q304-T307 PolarHBondContact O-OG1 3.46Å; T307-N311 HydrophobicContact CG2-CB 3.77Å; T307-L312 HydrophobicContact CG2-CB 4.18Å; T307-L315 HydrophobicContact CG2-CD1 4.39Å
308T88.6Confident92Very high71 Ų7162.6 Ų62.644%0.43635%0.347SS..  trans-65.9152.717664.30000110.8G306 E310 N311 L312G306-T308 PolarHBondContact O-N 3.02Å; T308-E310 PolarHBondContact O-N 2.91Å; T308-N311 PolarHBondContact O-N 3.35Å; T308-N311 VanDerWaalsContact O-N 3.15Å; T308-N311 WeakPolarHBondContact OG1-CB 3.3Å; T308-N311 VanDerWaalsContact OG1-CG 3.25Å; T308-N311 PolarHBondContact OG1-N 3.19Å; T308-N311 PolarHBondContact OG1-ND2 2.94Å; T308-L312 WeakPolarHBondContact O-CB 3.34Å; T308-L312 PolarHBondContact O-N 2.92Å
309V87.9Confident92Very high85 Ų8562.3 Ų62.352%0.51535%0.346SS..Hα-helixtrans-57-38.5178.7178.10000111.7L312 Y313 L368V309-L312 PolarHBondContact O-N 3.47Å; V309-Y313 WeakPolarHBondContact O-CB 3.33Å; V309-Y313 PolarHBondContact O-N 2.95Å; V309-L368 HydrophobicContact CG1-CD2 4.27Å
310E90.1Very high92Very high153 Ų15364.4 Ų64.472%0.71535%0.352SS*.Hα-helixtrans-63.7-47.4176.3-64.6177.7-179.700112.2T308 L312 Y313 L314T308-E310 PolarHBondContact O-N 2.91Å; E310-L312 VanDerWaalsContact C-N 3.32Å; E310-L312 PolarHBondContact O-N 2.98Å; E310-Y313 WeakPolarHBondContact O-CB 3.47Å; E310-Y313 PolarHBondContact O-N 2.99Å; E310-L314 WeakPolarHBondContact O-CG 3.42Å; E310-L314 PolarHBondContact O-N 2.76Å
311N92.1Very high91.8Very high84 Ų8462.9 Ų62.945%0.44934%0.34SS..Hα-helixtrans-64.5-40.6177.7-75.8-15.7000111T307 T308 Y313 L314 L315T307-N311 HydrophobicContact CG2-CB 3.77Å; T308-N311 PolarHBondContact O-N 3.35Å; T308-N311 VanDerWaalsContact O-N 3.15Å; T308-N311 WeakPolarHBondContact OG1-CB 3.3Å; T308-N311 VanDerWaalsContact OG1-CG 3.25Å; T308-N311 PolarHBondContact OG1-N 3.19Å; T308-N311 PolarHBondContact OG1-ND2 2.94Å; N311-Y313 VanDerWaalsContact C-N 3.33Å; N311-Y313 PolarHBondContact O-N 3.41Å; N311-L314 PolarHBondContact O-N 3.44Å; N311-L315 WeakPolarHBondContact O-CB 3.48Å; N311-L315 VanDerWaalsContact O-CG 3.24Å; N311-L315 WeakPolarHBondContact O-CG 3.45Å; N311-L315 PolarHBondContact O-N 3.08Å
312L93.5Very high91.7Very high16 Ų1662.8 Ų62.88%0.08434%0.344CS..Hα-helixtrans-59.1-45.9174.7176.559.9000111L302 T307 T308 V309 E310 L314 L315 L316 F342 T346 L368L302-L312 HydrophobicContact CD1-CD1 3.62Å; L302-L312 HydrophobicContact CG-CD1 4.41Å; T307-L312 HydrophobicContact CG2-CB 4.18Å; T308-L312 WeakPolarHBondContact O-CB 3.34Å; T308-L312 PolarHBondContact O-N 2.92Å; V309-L312 PolarHBondContact O-N 3.47Å; E310-L312 VanDerWaalsContact C-N 3.32Å; E310-L312 PolarHBondContact O-N 2.98Å; L312-L314 PolarHBondContact O-N 2.92Å; L312-L315 PolarHBondContact O-N 2.98Å; L312-L316 HydrophobicContact CD1-CD1 3.96Å; L312-L316 HydrophobicContact CD1-CG 4.06Å; L312-L316 HydrophobicContact CG-CD1 4.01Å; L312-L316 HydrophobicContact CG-CG 4.49Å; L312-L316 WeakPolarHBondContact O-CB 3.5Å; L312-L316 VanDerWaalsContact O-CG 3.23Å; L312-L316 WeakPolarHBondContact O-CG 3.26Å; L312-L316 PolarHBondContact O-N 3.09Å; L312-F342 HydrophobicContact CD1-CE1 3.81Å; L312-F342 HydrophobicContact CD1-CZ 3.91Å; L312-T346 HydrophobicContact CD2-CG2 4.06Å; L312-L368 HydrophobicContact CD2-CD1 4.2Å; L312-L368 HydrophobicContact CD2-CD2 3.95Å; L312-L368 HydrophobicContact CG-CD1 4.16Å
313Y94.1Very high91.6Very high80 Ų8062.6 Ų62.631%0.31434%0.343SS..Hα-helixtrans-58.7-46.3176.5-175.9-88.4000111.8V309 E310 N311 L316 Q317 L367 L371V309-Y313 WeakPolarHBondContact O-CB 3.33Å; V309-Y313 PolarHBondContact O-N 2.95Å; E310-Y313 WeakPolarHBondContact O-CB 3.47Å; E310-Y313 PolarHBondContact O-N 2.99Å; N311-Y313 VanDerWaalsContact C-N 3.33Å; N311-Y313 PolarHBondContact O-N 3.41Å; Y313-L316 PolarHBondContact O-N 3.13Å; Y313-Q317 WeakPolarHBondContact O-CB 3.48Å; Y313-Q317 PolarHBondContact O-N 3.28Å; Y313-L367 HydrophobicContact CE2-CB 4.3Å; Y313-L371 HydrophobicContact CD1-CD2 4.49Å; Y313-L371 HydrophobicContact CD2-CD2 3.67Å; Y313-L371 HydrophobicContact CE1-CD2 4.5Å; Y313-L371 HydrophobicContact CE2-CB 4.29Å; Y313-L371 HydrophobicContact CE2-CD2 3.68Å; Y313-L371 HydrophobicContact CG-CD2 4.09Å; Y313-L371 WeakPolarHBondContact O-CD2 3.29Å
314L95.1Very high91.3Very high101 Ų10162 Ų6253%0.52934%0.339SS..Hα-helixtrans-63.6-45.1178.6-67.9174.8000112.5E310 N311 L312 L316 Q317 E318E310-L314 WeakPolarHBondContact O-CG 3.42Å; E310-L314 PolarHBondContact O-N 2.76Å; N311-L314 PolarHBondContact O-N 3.44Å; L312-L314 PolarHBondContact O-N 2.92Å; L314-L316 VanDerWaalsContact C-N 3.35Å; L314-L316 PolarHBondContact O-N 3.04Å; L314-Q317 PolarHBondContact O-N 3.22Å; L314-E318 PolarHBondContact O-N 3.37Å
315L96.4Very high90.9Very high16 Ų1660.5 Ų60.58%0.08433%0.328CS..Hα-helixtrans-63.5-40.5177.8-68.9168.7000111.5L298 E301 L302 T307 N311 L312 E318 L319L298-L315 HydrophobicContact CD1-CB 4.33Å; L298-L315 HydrophobicContact CD1-CD2 3.75Å; E301-L315 HydrophobicContact CB-CD1 4.01Å; E301-L315 HydrophobicContact CB-CD2 4.05Å; E301-L315 WeakPolarHBondContact OE2-CD2 3.49Å; L302-L315 HydrophobicContact CD1-CB 4.02Å; T307-L315 HydrophobicContact CG2-CD1 4.39Å; N311-L315 WeakPolarHBondContact O-CB 3.48Å; N311-L315 VanDerWaalsContact O-CG 3.24Å; N311-L315 WeakPolarHBondContact O-CG 3.45Å; N311-L315 PolarHBondContact O-N 3.08Å; L312-L315 PolarHBondContact O-N 2.98Å; L315-E318 PolarHBondContact O-N 3.31Å; L315-L319 WeakPolarHBondContact O-CB 3.37Å; L315-L319 PolarHBondContact O-N 3.21Å
316L95.8Very high91Very high0 Ų054.9 Ų54.90%030%0.298CS..Hα-helixtrans-66.2-38.2174.7-72.7175.5000112.3L302 L312 Y313 L314 E318 L319 R320 L343 L368 L371 I372L302-L316 HydrophobicContact CD1-CD2 3.59Å; L302-L316 HydrophobicContact CD1-CG 3.86Å; L302-L316 HydrophobicContact CD2-CD2 4.3Å; L312-L316 HydrophobicContact CD1-CD1 3.96Å; L312-L316 HydrophobicContact CD1-CG 4.06Å; L312-L316 HydrophobicContact CG-CD1 4.01Å; L312-L316 HydrophobicContact CG-CG 4.49Å; L312-L316 WeakPolarHBondContact O-CB 3.5Å; L312-L316 VanDerWaalsContact O-CG 3.23Å; L312-L316 WeakPolarHBondContact O-CG 3.26Å; L312-L316 PolarHBondContact O-N 3.09Å; Y313-L316 PolarHBondContact O-N 3.13Å; L314-L316 VanDerWaalsContact C-N 3.35Å; L314-L316 PolarHBondContact O-N 3.04Å; L316-E318 VanDerWaalsContact C-N 3.33Å; L316-L319 HydrophobicContact CD2-CD2 4.47Å; L316-L319 PolarHBondContact O-N 2.87Å; L316-R320 VanDerWaalsContact O-CB 3.29Å; L316-R320 WeakPolarHBondContact O-CB 3.36Å; L316-R320 PolarHBondContact O-N 3.23Å; L316-L343 HydrophobicContact CD1-CD2 4.49Å; L316-L343 HydrophobicContact CD2-CD2 3.34Å; L316-L368 HydrophobicContact CD1-CD1 3.52Å; L316-L371 HydrophobicContact CB-CD2 3.61Å; L316-L371 HydrophobicContact CB-CG 4.04Å; L316-I372 HydrophobicContact CD1-CD1 4.47Å; L316-I372 HydrophobicContact CD1-CG1 3.78Å
317Q95Very high91.2Very high60 Ų6052.6 Ų52.628%0.2827%0.268SS..Hα-helixtrans-65.6-39176.1-173.3174.80.600111.2Y313 L314 T321 L371Y313-Q317 WeakPolarHBondContact O-CB 3.48Å; Y313-Q317 PolarHBondContact O-N 3.28Å; L314-Q317 PolarHBondContact O-N 3.22Å; Q317-T321 WeakPolarHBondContact O-CB 3.46Å; Q317-T321 PolarHBondContact O-N 3.18Å; Q317-T321 PolarHBondContact O-OG1 3.43Å; Q317-L371 HydrophobicContact CB-CD2 4.23Å
318E94.9Very high91.2Very high59 Ų5952.2 Ų52.228%0.27627%0.266SS..Hα-helixtrans-62.1-49.5172-173.7174.2174.400110.8L298 L314 L315 L316 R320 T321 A322L298-E318 HydrophobicContact CD1-CB 4.24Å; L298-E318 HydrophobicContact CD1-CG 4.23Å; L298-E318 HydrophobicContact CD2-CG 4.46Å; L314-E318 PolarHBondContact O-N 3.37Å; L315-E318 PolarHBondContact O-N 3.31Å; L316-E318 VanDerWaalsContact C-N 3.33Å; E318-R320 VanDerWaalsContact C-N 3.34Å; E318-R320 PolarHBondContact O-N 2.94Å; E318-T321 PolarHBondContact O-N 2.86Å; E318-A322 WeakPolarHBondContact O-CB 3.29Å; E318-A322 PolarHBondContact O-N 3.4Å
319L95.6Very high91.4Very high4 Ų449.4 Ų49.42%0.02125%0.248CC..Hα-helixtrans-55.9-48.4177.8-179.963.2000111.5F295 L298 L315 L316 A322 A323 L329 T375 M379F295-L319 HydrophobicContact CD2-CD1 4.37Å; F295-L319 HydrophobicContact CE2-CD1 4.19Å; L298-L319 HydrophobicContact CD2-CB 3.73Å; L298-L319 HydrophobicContact CD2-CD1 3.8Å; L298-L319 HydrophobicContact CD2-CG 4.37Å; L315-L319 WeakPolarHBondContact O-CB 3.37Å; L315-L319 PolarHBondContact O-N 3.21Å; L316-L319 HydrophobicContact CD2-CD2 4.47Å; L316-L319 PolarHBondContact O-N 2.87Å; L319-A322 PolarHBondContact O-N 3.33Å; L319-A323 VanDerWaalsContact O-CB 3.29Å; L319-A323 WeakPolarHBondContact O-CB 3.43Å; L319-A323 PolarHBondContact O-N 2.9Å; L319-L329 HydrophobicContact CD1-CD2 3.96Å; L319-T375 HydrophobicContact CD2-CG2 4.14Å; L319-T375 HydrophobicContact CG-CG2 4.33Å; L319-M379 HydrophobicContact CD1-CE 3.73Å; L319-M379 HydrophobicContact CD2-CE 4.04Å; L319-M379 HydrophobicContact CG-CE 3.69Å
320R94.5Very high91.6Very high57 Ų5746 Ų4622%0.21523%0.225CC..Hα-helixtrans-61.3-47178.9-175.8-177.4163.8-168.19111.9L316 E318 A322 A323 H324 T375 I378L316-R320 VanDerWaalsContact O-CB 3.29Å; L316-R320 WeakPolarHBondContact O-CB 3.36Å; L316-R320 PolarHBondContact O-N 3.23Å; E318-R320 VanDerWaalsContact C-N 3.34Å; E318-R320 PolarHBondContact O-N 2.94Å; R320-A322 VanDerWaalsContact C-N 3.31Å; R320-A322 PolarHBondContact O-N 3.37Å; R320-A323 PolarHBondContact O-N 3.44Å; R320-H324 PolarHBondContact O-CD2 3.09Å; R320-H324 VanDerWaalsContact O-CD2 3.3Å; R320-H324 PolarHBondContact O-N 3.26Å; R320-H324 VanDerWaalsContact O-N 3.08Å; R320-T375 HydrophobicContact CB-CG2 4.43Å; R320-T375 WeakPolarHBondContact CB-OG1 3.16Å; R320-I378 HydrophobicContact CG-CD1 3.54Å
321T91.3Very high91.7Very high39 Ų3940.2 Ų40.224%0.23920%0.197CC..Hα-helixtrans-63-42.1-179.5-58.60000110.7Q317 E318 H324Q317-T321 WeakPolarHBondContact O-CB 3.46Å; Q317-T321 PolarHBondContact O-N 3.18Å; Q317-T321 PolarHBondContact O-OG1 3.43Å; E318-T321 PolarHBondContact O-N 2.86Å; T321-H324 PolarHBondContact O-N 3.24Å
322A91.3Very high91.7Very high31 Ų3137.7 Ų37.726%0.25618%0.183SC..Hα-helixtrans-67.5-37.7176.800000111.9E318 L319 R320 H324 R325 N326 L329E318-A322 WeakPolarHBondContact O-CB 3.29Å; E318-A322 PolarHBondContact O-N 3.4Å; L319-A322 PolarHBondContact O-N 3.33Å; R320-A322 VanDerWaalsContact C-N 3.31Å; R320-A322 PolarHBondContact O-N 3.37Å; A322-H324 VanDerWaalsContact C-N 3.35Å; A322-H324 PolarHBondContact O-N 3.2Å; A322-R325 PolarHBondContact O-N 3.35Å; A322-N326 PolarHBondContact O-N 2.82Å; A322-L329 HydrophobicContact CB-CD1 3.36Å
323A91.7Very high91.8Very high0 Ų036.9 Ų36.90%018%0.179CC..Hα-helixtrans-64.2-34.2176.500000113.5L319 R320 R325 L329 R330 I378 M379L319-A323 VanDerWaalsContact O-CB 3.29Å; L319-A323 WeakPolarHBondContact O-CB 3.43Å; L319-A323 PolarHBondContact O-N 2.9Å; R320-A323 PolarHBondContact O-N 3.44Å; A323-R325 VanDerWaalsContact C-N 3.28Å; A323-R325 PolarHBondContact O-N 3.39Å; A323-L329 HydrophobicContact CB-CD2 4.1Å; A323-R330 HydrophobicContact CB-CG 3.94Å; A323-R330 WeakPolarHBondContact O-CD 3.44Å; A323-R330 PolarHBondContact O-NE 3.13Å; A323-I378 HydrophobicContact CB-CG2 3.83Å; A323-M379 HydrophobicContact CB-CE 3.69Å; A323-M379 HydrophobicContact CB-SD 4.02Å
324H87Confident91.9Very high38 Ų3833.2 Ų33.218%0.17617%0.165CC..Hα-helixtrans-62.6-34.2173.6-86.2-69.4000113.2Y275 R320 T321 A322 I378Y275-H324 AromaticContact CE2-CE1 3.66Å; Y275-H324 AromaticContact CE2-ND1 3.93Å; Y275-H324 AromaticContact CZ-ND1 3.93Å; Y275-H324 PolarHBondContact OH-ND1 3.04Å; R320-H324 PolarHBondContact O-CD2 3.09Å; R320-H324 VanDerWaalsContact O-CD2 3.3Å; R320-H324 PolarHBondContact O-N 3.26Å; R320-H324 VanDerWaalsContact O-N 3.08Å; T321-H324 PolarHBondContact O-N 3.24Å; A322-H324 VanDerWaalsContact C-N 3.35Å; A322-H324 PolarHBondContact O-N 3.2Å; H324-I378 VanDerWaalsContact CE1-CD1 3.45Å; H324-I378 WeakPolarHBondContact CE1-CD1 3.44Å; H324-I378 WeakPolarHBondContact NE2-CD1 3.38Å
325R85.3Confident91.8Very high95 Ų9535.4 Ų35.436%0.35817%0.166SC..Hα-helixtrans-92.5-28.7-173.3-65.2175.3176.4175.5-5.2113A174 R278 A322 A323A174-R325 PolarHBondContact O-NH1 3.36Å; R278-R325 VanDerWaalsContact O-CG 3.24Å; R278-R325 WeakPolarHBondContact O-CG 3.46Å; R278-R325 PolarHBondContact O-NE 2.98Å; A322-R325 PolarHBondContact O-N 3.35Å; A323-R325 VanDerWaalsContact C-N 3.28Å; A323-R325 PolarHBondContact O-N 3.39Å
326N85.4Confident91.5Very high40 Ų4036.8 Ų36.821%0.21418%0.177CC..  trans-131.8108.1-165.8-165-31.1000112.7T291 A322 T328 L329 R330T291-N326 VanDerWaalsContact CG2-ND2 3.3Å; T291-N326 WeakPolarHBondContact CG2-ND2 3.49Å; T291-N326 PolarHBondContact OG1-ND2 3.19Å; A322-N326 PolarHBondContact O-N 2.82Å; N326-T328 VanDerWaalsContact C-N 3.29Å; N326-T328 PolarHBondContact O-N 2.72Å; N326-T328 WeakPolarHBondContact OD1-CA 3.35Å; N326-T328 WeakPolarHBondContact OD1-CB 3.5Å; N326-T328 PolarHBondContact OD1-N 3.19Å; N326-L329 HydrophobicContact CB-CB 4.09Å; N326-L329 WeakPolarHBondContact O-CB 3.29Å; N326-L329 PolarHBondContact O-N 3.21Å; N326-L329 PolarHBondContact OD1-N 3.4Å; N326-R330 PolarHBondContact O-N 3.02Å
327V83.9Confident91.4Very high33 Ų3337.2 Ų37.220%0.218%0.182CC..Hα-helixtrans-65.2-33.4176.2-178.70000111.5L329 R330 R331V327-L329 VanDerWaalsContact C-N 3.3Å; V327-L329 PolarHBondContact O-N 3.4Å; V327-R330 PolarHBondContact O-N 3.02Å; V327-R331 PolarHBondContact O-N 3.42Å
328T86.7Confident91.4Very high35 Ų3540.4 Ų40.422%0.21520%0.196CC..Hα-helixtrans-63.1-38.9177.8-56.40000111.2N326 R331 L332N326-T328 VanDerWaalsContact C-N 3.29Å; N326-T328 PolarHBondContact O-N 2.72Å; N326-T328 WeakPolarHBondContact OD1-CA 3.35Å; N326-T328 WeakPolarHBondContact OD1-CB 3.5Å; N326-T328 PolarHBondContact OD1-N 3.19Å; T328-R331 WeakPolarHBondContact O-CB 3.31Å; T328-R331 PolarHBondContact O-N 2.74Å; T328-L332 HydrophobicContact CG2-CD1 4.44Å; T328-L332 WeakPolarHBondContact O-CG 3.3Å; T328-L332 PolarHBondContact O-N 3.11Å
329L92.3Very high91.4Very high11 Ų1137.7 Ų37.76%0.05818%0.184CC..Hα-helixtrans-60.2-46173.2-176.5156.7000111.4T291 F295 L319 A322 A323 N326 V327 R331 L332 F333 M379T291-L329 HydrophobicContact CG2-CB 4.08Å; F295-L329 HydrophobicContact CD2-CD2 4.29Å; F295-L329 HydrophobicContact CD2-CG 4Å; L319-L329 HydrophobicContact CD1-CD2 3.96Å; A322-L329 HydrophobicContact CB-CD1 3.36Å; A323-L329 HydrophobicContact CB-CD2 4.1Å; N326-L329 HydrophobicContact CB-CB 4.09Å; N326-L329 WeakPolarHBondContact O-CB 3.29Å; N326-L329 PolarHBondContact O-N 3.21Å; N326-L329 PolarHBondContact OD1-N 3.4Å; V327-L329 VanDerWaalsContact C-N 3.3Å; V327-L329 PolarHBondContact O-N 3.4Å; L329-R331 VanDerWaalsContact C-N 3.26Å; L329-R331 PolarHBondContact O-N 2.97Å; L329-L332 WeakPolarHBondContact O-CB 3.48Å; L329-L332 PolarHBondContact O-N 3.22Å; L329-L332 VanDerWaalsContact O-N 3.08Å; L329-F333 PolarHBondContact O-N 3.25Å; L329-M379 HydrophobicContact CD2-CE 4.08Å
330R92.3Very high91.4Very high13 Ų1337.5 Ų37.55%0.04918%0.183CC..Hα-helixtrans-60.3-36176.7-62.7-172.3-78.3169.43112.1A323 N326 V327 F333 W334 I378 M379 R381 E382 T383A323-R330 HydrophobicContact CB-CG 3.94Å; A323-R330 WeakPolarHBondContact O-CD 3.44Å; A323-R330 PolarHBondContact O-NE 3.13Å; N326-R330 PolarHBondContact O-N 3.02Å; V327-R330 PolarHBondContact O-N 3.02Å; R330-F333 WeakPolarHBondContact O-CB 3.44Å; R330-F333 PolarHBondContact O-N 2.72Å; R330-W334 PolarHBondContact O-N 3.06Å; R330-I378 VanDerWaalsContact CD-O 3.22Å; R330-I378 WeakPolarHBondContact CD-O 3.29Å; R330-I378 PolarHBondContact NH1-O 2.9Å; R330-I378 VanDerWaalsContact NH1-O 3.13Å; R330-M379 HydrophobicContact CB-SD 4.14Å; R330-M379 HydrophobicContact CG-SD 3.76Å; R330-R381 PolarHBondContact NH1-O 3.48Å; R330-E382 IonicContact CZ-OE2 3.8Å; R330-E382 IonicContact NH1-OE2 3.92Å; R330-E382 IonicContact NH2-OE2 2.75Å; R330-E382 PolarHBondContact NH2-OE2 3.15Å; R330-T383 HydrophobicContact CB-CG2 3.77Å
331R90.8Very high91.5Very high33 Ų3337.3 Ų37.313%0.12519%0.188CC..Hα-helixtrans-66.2-41.4173.2-68.4178.7-178.8165.7-1.6112.3E33 V327 T328 L329 F333 W334 R335 E386E33-R331 VanDerWaalsContact O-CZ 3.29Å; E33-R331 PolarHBondContact O-NH1 2.76Å; E33-R331 PolarHBondContact O-NH2 2.97Å; V327-R331 PolarHBondContact O-N 3.42Å; T328-R331 WeakPolarHBondContact O-CB 3.31Å; T328-R331 PolarHBondContact O-N 2.74Å; L329-R331 VanDerWaalsContact C-N 3.26Å; L329-R331 PolarHBondContact O-N 2.97Å; R331-F333 VanDerWaalsContact C-N 3.33Å; R331-W334 PolarHBondContact O-N 2.68Å; R331-R335 WeakPolarHBondContact O-CG 3.37Å; R331-R335 PolarHBondContact O-N 3.22Å; R331-E386 HydrophobicContact CB-CG 4.5Å; R331-E386 WeakPolarHBondContact CD-OE2 3.36Å; R331-E386 WeakPolarHBondContact CG-OE2 3.35Å
332L93.1Very high91.8Very high30 Ų3037.8 Ų37.816%0.15719%0.187CC..Hα-helixtrans-64.3-37.2176.5-69167.1000112.5T291 A292 F295 T328 L329 W334 R335 S336T291-L332 HydrophobicContact CG2-CD1 4.38Å; A292-L332 HydrophobicContact CB-CD1 3.98Å; F295-L332 HydrophobicContact CB-CD1 4.22Å; F295-L332 HydrophobicContact CD1-CB 3.66Å; F295-L332 HydrophobicContact CD1-CD1 4.43Å; F295-L332 HydrophobicContact CE1-CB 3.95Å; F295-L332 HydrophobicContact CG-CB 4.06Å; F295-L332 HydrophobicContact CG-CD1 4.45Å; T328-L332 HydrophobicContact CG2-CD1 4.44Å; T328-L332 WeakPolarHBondContact O-CG 3.3Å; T328-L332 PolarHBondContact O-N 3.11Å; L329-L332 WeakPolarHBondContact O-CB 3.48Å; L329-L332 PolarHBondContact O-N 3.22Å; L329-L332 VanDerWaalsContact O-N 3.08Å; L332-W334 VanDerWaalsContact C-N 3.32Å; L332-W334 PolarHBondContact O-N 3.35Å; L332-R335 PolarHBondContact O-N 3.39Å; L332-S336 PolarHBondContact O-N 3.25Å; L332-S336 PolarHBondContact O-OG 3.21Å; L332-S336 VanDerWaalsContact O-OG 3.06Å
333F95.9Very high92Very high0 Ų036.3 Ų36.30%017%0.174CC..Hα-helixtrans-54.4-47.6171.5172.3-92.4000111.7F295 L329 R330 R331 R335 S336 G337 A339 F340 L343 L376 M379F295-F333 HydrophobicContact CE2-CB 4.1Å; F295-F333 HydrophobicContact CZ-CB 4.18Å; L329-F333 PolarHBondContact O-N 3.25Å; R330-F333 WeakPolarHBondContact O-CB 3.44Å; R330-F333 PolarHBondContact O-N 2.72Å; R331-F333 VanDerWaalsContact C-N 3.33Å; F333-R335 PolarHBondContact O-N 3.11Å; F333-S336 PolarHBondContact O-OG 3.32Å; F333-G337 PolarHBondContact O-N 2.91Å; F333-G337 VanDerWaalsContact O-N 3.1Å; F333-A339 HydrophobicContact CD2-CB 3.82Å; F333-A339 HydrophobicContact CE2-CB 3.67Å; F333-F340 HydrophobicContact CE1-CB 3.87Å; F333-F340 HydrophobicContact CE1-CD2 4.13Å; F333-F340 HydrophobicContact CE1-CG 4.37Å; F333-F340 HydrophobicContact CE2-CB 4.38Å; F333-F340 HydrophobicContact CZ-CB 3.58Å; F333-F340 AromaticContact CZ-CD2 3.99Å; F333-F340 HydrophobicContact CZ-CD2 3.99Å; F333-F340 HydrophobicContact CZ-CG 4.26Å; F333-L343 HydrophobicContact CE2-CD1 3.86Å; F333-L343 HydrophobicContact CZ-CD1 3.98Å; F333-L376 HydrophobicContact CZ-CD2 4.26Å; F333-M379 HydrophobicContact CB-CE 4.28Å; F333-M379 HydrophobicContact CB-SD 3.91Å; F333-M379 HydrophobicContact CD1-CB 3.92Å; F333-M379 HydrophobicContact CD1-CG 3.79Å; F333-M379 HydrophobicContact CD1-SD 3.85Å; F333-M379 HydrophobicContact CD2-CE 3.89Å; F333-M379 HydrophobicContact CD2-CG 4.4Å; F333-M379 HydrophobicContact CD2-SD 4.17Å; F333-M379 HydrophobicContact CE1-CB 3.79Å; F333-M379 HydrophobicContact CE1-CG 3.76Å; F333-M379 HydrophobicContact CE1-SD 4.41Å; F333-M379 HydrophobicContact CE2-CE 4.37Å; F333-M379 HydrophobicContact CE2-CG 4.36Å; F333-M379 HydrophobicContact CG-CE 4.01Å; F333-M379 HydrophobicContact CG-CG 4.11Å; F333-M379 HydrophobicContact CG-SD 3.71Å; F333-M379 HydrophobicContact CZ-CB 4.45Å; F333-M379 HydrophobicContact CZ-CG 4.04Å
334W95.1Very high92.2Very high3 Ų336.3 Ų36.31%0.01117%0.174CC..Hα-helixtrans-70.3-30.8177.2-65.7116.5000114.1R330 R331 L332 F340 M379 F380 T383 E386 A388 R389 L392 L393R330-W334 PolarHBondContact O-N 3.06Å; R331-W334 PolarHBondContact O-N 2.68Å; L332-W334 VanDerWaalsContact C-N 3.32Å; L332-W334 PolarHBondContact O-N 3.35Å; W334-F340 HydrophobicContact CH2-CD2 4.19Å; W334-F340 HydrophobicContact CH2-CE2 4.22Å; W334-F340 HydrophobicContact CZ3-CD1 4.23Å; W334-F340 HydrophobicContact CZ3-CD2 4.04Å; W334-F340 HydrophobicContact CZ3-CE1 4.45Å; W334-F340 HydrophobicContact CZ3-CE2 4.28Å; W334-F340 HydrophobicContact CZ3-CG 4.01Å; W334-F340 HydrophobicContact CZ3-CZ 4.48Å; W334-M379 HydrophobicContact CZ2-CB 4.01Å; W334-M379 PolarHBondContact NE1-O 3.25Å; W334-F380 HydrophobicContact CH2-CD1 4.18Å; W334-F380 HydrophobicContact CH2-CD2 4.27Å; W334-F380 AromaticContact CH2-CE1 3.89Å; W334-F380 HydrophobicContact CH2-CE1 3.89Å; W334-F380 AromaticContact CH2-CE2 3.96Å; W334-F380 HydrophobicContact CH2-CE2 3.96Å; W334-F380 HydrophobicContact CH2-CG 4.35Å; W334-F380 AromaticContact CH2-CZ 3.76Å; W334-F380 HydrophobicContact CH2-CZ 3.76Å; W334-F380 HydrophobicContact CZ2-CD1 4.2Å; W334-F380 HydrophobicContact CZ2-CD2 4.37Å; W334-F380 HydrophobicContact CZ2-CE1 4.37Å; W334-F380 HydrophobicContact CZ2-CG 4.18Å; W334-T383 PolarHBondContact NE1-OG1 3.2Å; W334-T383 VanDerWaalsContact NE1-OG1 3.09Å; W334-E386 HydrophobicContact CB-CG 4.09Å; W334-A388 WeakPolarHBondContact O-CB 3.33Å; W334-R389 HydrophobicContact CB-CB 4Å; W334-R389 HydrophobicContact CD2-CB 3.69Å; W334-R389 HydrophobicContact CD2-CG 3.7Å; W334-R389 HydrophobicContact CE3-CB 3.91Å; W334-R389 HydrophobicContact CE3-CG 3.77Å; W334-R389 HydrophobicContact CG-CB 3.72Å; W334-R389 HydrophobicContact CG-CG 4.23Å; W334-R389 HydrophobicContact CH2-CG 4.24Å; W334-R389 HydrophobicContact CZ2-CG 4.19Å; W334-R389 HydrophobicContact CZ3-CG 4.04Å; W334-L392 HydrophobicContact CE3-CD2 4.32Å; W334-L393 HydrophobicContact CH2-CD2 4.45Å; W334-L393 HydrophobicContact CZ3-CD2 4.12Å; W334-L393 HydrophobicContact CZ3-CG 4.4Å
335R93.1Very high92.6Very high147 Ų14738.6 Ų38.656%0.55519%0.185SC*.Hα-helixtrans-71.5-37.3178.7-74177.1-173.6167.37.9113.5R331 L332 F333 E386 A388R331-R335 WeakPolarHBondContact O-CG 3.37Å; R331-R335 PolarHBondContact O-N 3.22Å; L332-R335 PolarHBondContact O-N 3.39Å; F333-R335 PolarHBondContact O-N 3.11Å; R335-E386 WeakPolarHBondContact CG-OE1 3.37Å; R335-E386 IonicContact CZ-OE1 3.97Å; R335-E386 IonicContact CZ-OE2 3.39Å; R335-E386 IonicContact NE-OE1 4Å; R335-E386 PolarHBondContact NE-OE1 3.46Å; R335-E386 IonicContact NE-OE2 2.62Å; R335-E386 IonicContact NH2-OE1 3.39Å; R335-E386 PolarHBondContact NH2-OE1 3.44Å; R335-E386 IonicContact NH2-OE2 2.67Å; R335-E386 PolarHBondContact NH2-OE2 3.41Å; R335-A388 HydrophobicContact CG-CB 4.11Å
336S91.5Very high93Very high45 Ų4534.6 Ų34.632%0.31517%0.171SC..Hα-helixtrans-74.4-44175.451.60000111F295 L332 F333 E338F295-S336 WeakPolarHBondContact CZ-OG 3.03Å; L332-S336 PolarHBondContact O-N 3.25Å; L332-S336 PolarHBondContact O-OG 3.21Å; L332-S336 VanDerWaalsContact O-OG 3.06Å; F333-S336 PolarHBondContact O-OG 3.32Å; S336-E338 PolarHBondContact O-N 3.03Å
337G92.4Very high93.4Very high9 Ų932.7 Ų32.79%0.09316%0.161CC..  trans72.2-30.8177.300000114.9F333 A339 F340 V341F333-G337 PolarHBondContact O-N 2.91Å; F333-G337 VanDerWaalsContact O-N 3.1Å; G337-A339 PolarHBondContact O-N 3.37Å; G337-F340 WeakPolarHBondContact O-CB 3.38Å; G337-F340 PolarHBondContact O-N 2.93Å; G337-F340 VanDerWaalsContact O-N 3.09Å; G337-V341 PolarHBondContact O-N 2.9Å; G337-V341 VanDerWaalsContact O-N 3.12Å
338E94.9Very high93.8Very high127 Ų12732.7 Ų32.759%0.59316%0.159SC*.Hα-helixtrans-57.8-46.2-179.8-64.1-178.4157.800112.3L303 S336 F340 V341 F342L303-E338 HydrophobicContact CD1-CB 3.76Å; S336-E338 PolarHBondContact O-N 3.03Å; E338-F340 VanDerWaalsContact C-N 3.27Å; E338-F340 PolarHBondContact O-N 3.28Å; E338-V341 PolarHBondContact O-N 3.1Å; E338-F342 WeakPolarHBondContact O-CB 3.44Å; E338-F342 PolarHBondContact O-N 3.14Å
339A94.8Very high93.9Very high1 Ų136.8 Ų36.81%0.00818%0.176CC..Hα-helixtrans-59.6-37.2176.900000112L302 F333 G337 L343L302-A339 HydrophobicContact CD2-CB 4.42Å; F333-A339 HydrophobicContact CD2-CB 3.82Å; F333-A339 HydrophobicContact CE2-CB 3.67Å; G337-A339 PolarHBondContact O-N 3.37Å; A339-L343 WeakPolarHBondContact O-CB 3.4Å; A339-L343 WeakPolarHBondContact O-CG 3.41Å; A339-L343 PolarHBondContact O-N 3.48Å
340F96.6Very high93.6Very high0 Ų037.1 Ų37.10%018%0.179CC..Hα-helixtrans-66.7-45.2176.4179-115.1000111.8F333 W334 G337 E338 F342 L343 V344 L376 F380 L392 L393 L400 L404F333-F340 HydrophobicContact CE1-CB 3.87Å; F333-F340 HydrophobicContact CE1-CD2 4.13Å; F333-F340 HydrophobicContact CE1-CG 4.37Å; F333-F340 HydrophobicContact CE2-CB 4.38Å; F333-F340 HydrophobicContact CZ-CB 3.58Å; F333-F340 AromaticContact CZ-CD2 3.99Å; F333-F340 HydrophobicContact CZ-CD2 3.99Å; F333-F340 HydrophobicContact CZ-CG 4.26Å; W334-F340 HydrophobicContact CH2-CD2 4.19Å; W334-F340 HydrophobicContact CH2-CE2 4.22Å; W334-F340 HydrophobicContact CZ3-CD1 4.23Å; W334-F340 HydrophobicContact CZ3-CD2 4.04Å; W334-F340 HydrophobicContact CZ3-CE1 4.45Å; W334-F340 HydrophobicContact CZ3-CE2 4.28Å; W334-F340 HydrophobicContact CZ3-CG 4.01Å; W334-F340 HydrophobicContact CZ3-CZ 4.48Å; G337-F340 WeakPolarHBondContact O-CB 3.38Å; G337-F340 PolarHBondContact O-N 2.93Å; G337-F340 VanDerWaalsContact O-N 3.09Å; E338-F340 VanDerWaalsContact C-N 3.27Å; E338-F340 PolarHBondContact O-N 3.28Å; F340-F342 VanDerWaalsContact C-N 3.33Å; F340-F342 PolarHBondContact O-N 3.15Å; F340-L343 PolarHBondContact O-N 3.47Å; F340-V344 HydrophobicContact CD2-CG2 4.44Å; F340-V344 HydrophobicContact CE1-CG2 4.34Å; F340-V344 HydrophobicContact CE2-CG2 4.06Å; F340-V344 HydrophobicContact CZ-CG2 4.01Å; F340-V344 WeakPolarHBondContact O-CG2 3.31Å; F340-V344 PolarHBondContact O-N 3.27Å; F340-V344 VanDerWaalsContact O-N 3.09Å; F340-L376 HydrophobicContact CD2-CD2 3.59Å; F340-L376 HydrophobicContact CE2-CD2 3.76Å; F340-F380 HydrophobicContact CE2-CE2 4.06Å; F340-F380 HydrophobicContact CE2-CZ 4.16Å; F340-F380 HydrophobicContact CZ-CZ 4.2Å; F340-L392 HydrophobicContact CB-CD2 4.08Å; F340-L392 HydrophobicContact CD1-CD2 3.56Å; F340-L392 HydrophobicContact CD1-CG 4.12Å; F340-L392 HydrophobicContact CE1-CD2 4.43Å; F340-L392 HydrophobicContact CG-CD2 4.18Å; F340-L393 HydrophobicContact CE1-CD2 3.74Å; F340-L393 HydrophobicContact CZ-CD2 3.81Å; F340-L400 HydrophobicContact CD1-CD2 3.45Å; F340-L400 VanDerWaalsContact CD1-CD2 3.45Å; F340-L400 HydrophobicContact CD1-CG 4.21Å; F340-L400 HydrophobicContact CE1-CD2 3.38Å; F340-L400 HydrophobicContact CE1-CG 3.69Å; F340-L404 HydrophobicContact CE2-CD2 4.11Å; F340-L404 HydrophobicContact CZ-CD2 4.03Å
341V96.4Very high93.2Very high53 Ų5336.6 Ų36.632%0.32118%0.177SC..Hα-helixtrans-60.1-45.9177.51770000110.6G337 E338 V344 Q345 L400G337-V341 PolarHBondContact O-N 2.9Å; G337-V341 VanDerWaalsContact O-N 3.12Å; E338-V341 PolarHBondContact O-N 3.1Å; V341-V344 PolarHBondContact O-N 3.47Å; V341-Q345 PolarHBondContact O-N 2.9Å; V341-L400 HydrophobicContact CG2-CD2 3.79Å
342F96.3Very high92.2Very high49 Ų4940.7 Ų40.722%0.21520%0.197CC..Hα-helixtrans-57.6-50.9176.2173-97.8000111.7L302 L303 L312 E338 F340 V344 Q345 T346L302-F342 HydrophobicContact CD1-CE1 4.22Å; L302-F342 HydrophobicContact CD2-CD1 3.83Å; L302-F342 HydrophobicContact CD2-CE1 4.01Å; L302-F342 HydrophobicContact CG-CD1 4Å; L302-F342 HydrophobicContact CG-CE1 3.69Å; L302-F342 WeakPolarHBondContact O-CZ 3.44Å; L303-F342 HydrophobicContact CD2-CB 3.4Å; L303-F342 VanDerWaalsContact CD2-CB 3.4Å; L303-F342 HydrophobicContact CD2-CD1 4.26Å; L303-F342 HydrophobicContact CD2-CD2 3.9Å; L303-F342 HydrophobicContact CD2-CG 3.6Å; L312-F342 HydrophobicContact CD1-CE1 3.81Å; L312-F342 HydrophobicContact CD1-CZ 3.91Å; E338-F342 WeakPolarHBondContact O-CB 3.44Å; E338-F342 PolarHBondContact O-N 3.14Å; F340-F342 VanDerWaalsContact C-N 3.33Å; F340-F342 PolarHBondContact O-N 3.15Å; F342-V344 VanDerWaalsContact C-N 3.29Å; F342-V344 PolarHBondContact O-N 2.98Å; F342-Q345 PolarHBondContact O-N 3.23Å; F342-Q345 VanDerWaalsContact O-N 3.1Å; F342-T346 PolarHBondContact O-N 2.95Å; F342-T346 PolarHBondContact O-OG1 3.04Å
343L96.7Very high90.4Very high0 Ų041.5 Ų41.50%021%0.212CC..Hα-helixtrans-58.4-38.9178.9-70.7177.3000113.1L316 F333 A339 F340 L347 I372 L376L316-L343 HydrophobicContact CD1-CD2 4.49Å; L316-L343 HydrophobicContact CD2-CD2 3.34Å; F333-L343 HydrophobicContact CE2-CD1 3.86Å; F333-L343 HydrophobicContact CZ-CD1 3.98Å; A339-L343 WeakPolarHBondContact O-CB 3.4Å; A339-L343 WeakPolarHBondContact O-CG 3.41Å; A339-L343 PolarHBondContact O-N 3.48Å; F340-L343 PolarHBondContact O-N 3.47Å; L343-L347 VanDerWaalsContact O-CB 3.31Å; L343-L347 WeakPolarHBondContact O-CB 3.42Å; L343-L347 PolarHBondContact O-N 3.46Å; L343-I372 HydrophobicContact CB-CG2 4.09Å; L343-I372 HydrophobicContact CD2-CG1 4.16Å; L343-I372 HydrophobicContact CD2-CG2 4.21Å; L343-L376 HydrophobicContact CB-CD2 4.22Å; L343-L376 HydrophobicContact CD1-CD2 3.68Å; L343-L376 HydrophobicContact CD1-CG 4.32Å
344V96.4Very high88.3Confident0 Ų042.4 Ų42.40%022%0.219CC..Hα-helixtrans-65.3-45.9176.3174.80000110.4F340 V341 F342 L347 E348 L400 R403 L404F340-V344 HydrophobicContact CD2-CG2 4.44Å; F340-V344 HydrophobicContact CE1-CG2 4.34Å; F340-V344 HydrophobicContact CE2-CG2 4.06Å; F340-V344 HydrophobicContact CZ-CG2 4.01Å; F340-V344 WeakPolarHBondContact O-CG2 3.31Å; F340-V344 PolarHBondContact O-N 3.27Å; F340-V344 VanDerWaalsContact O-N 3.09Å; V341-V344 PolarHBondContact O-N 3.47Å; F342-V344 VanDerWaalsContact C-N 3.29Å; F342-V344 PolarHBondContact O-N 2.98Å; V344-L347 PolarHBondContact O-N 2.99Å; V344-E348 WeakPolarHBondContact O-CG 3.49Å; V344-E348 PolarHBondContact O-N 3.44Å; V344-L400 HydrophobicContact CB-CD1 4.11Å; V344-L400 HydrophobicContact CG1-CD1 3.98Å; V344-L400 HydrophobicContact CG2-CD1 4.17Å; V344-R403 HydrophobicContact CG1-CB 4.09Å; V344-L404 HydrophobicContact CG1-CB 4.26Å; V344-L404 HydrophobicContact CG2-CB 4.06Å; V344-L404 HydrophobicContact CG2-CD1 4.19Å
345Q95Very high86.4Confident86 Ų8645.9 Ų45.940%0.40224%0.235SC..Hα-helixtrans-64.7-45.8179.2177.6173-8.500112.1V341 F342 L347 E348 E349V341-Q345 PolarHBondContact O-N 2.9Å; F342-Q345 PolarHBondContact O-N 3.23Å; F342-Q345 VanDerWaalsContact O-N 3.1Å; Q345-L347 VanDerWaalsContact C-N 3.27Å; Q345-L347 PolarHBondContact O-N 2.95Å; Q345-E348 WeakPolarHBondContact O-CB 3.41Å; Q345-E348 PolarHBondContact O-N 3.3Å; Q345-E349 HydrophobicContact CG-CG 4.46Å; Q345-E349 VanDerWaalsContact CG-OE1 3.23Å; Q345-E349 WeakPolarHBondContact CG-OE1 3.3Å; Q345-E349 PolarHBondContact NE2-OE1 3.14Å; Q345-E349 WeakPolarHBondContact O-CG 3.43Å; Q345-E349 PolarHBondContact O-N 2.97Å
346T93.6Very high84.4Confident11 Ų1143.1 Ų43.17%0.06724%0.238CC..Hα-helixtrans-59.1-41.3176-53.20000111.1L312 F342 E349 C350 L368 I372L312-T346 HydrophobicContact CD2-CG2 4.06Å; F342-T346 PolarHBondContact O-N 2.95Å; F342-T346 PolarHBondContact O-OG1 3.04Å; T346-E349 PolarHBondContact O-N 3.2Å; T346-C350 WeakPolarHBondContact O-CB 3.39Å; T346-C350 PolarHBondContact O-N 2.58Å; T346-C350 PolarHBondContact O-SG 3.29Å; T346-L368 HydrophobicContact CG2-CD2 4.38Å; T346-I372 HydrophobicContact CG2-CD1 3.71Å
347L94Very high82.2Confident0 Ų049 Ų490%027%0.265CS..Hα-helixtrans-65.3-41.2177.7-172.962000112.2L343 V344 Q345 L351 I372 V373 L404 A407 F408L343-L347 VanDerWaalsContact O-CB 3.31Å; L343-L347 WeakPolarHBondContact O-CB 3.42Å; L343-L347 PolarHBondContact O-N 3.46Å; V344-L347 PolarHBondContact O-N 2.99Å; Q345-L347 VanDerWaalsContact C-N 3.27Å; Q345-L347 PolarHBondContact O-N 2.95Å; L347-L351 HydrophobicContact CD1-CD1 3.55Å; L347-L351 HydrophobicContact CD1-CG 4.3Å; L347-L351 HydrophobicContact CG-CD1 4.01Å; L347-L351 WeakPolarHBondContact O-CB 3.27Å; L347-L351 PolarHBondContact O-N 3.45Å; L347-I372 HydrophobicContact CB-CG2 4.21Å; L347-I372 HydrophobicContact CD2-CG2 4.39Å; L347-V373 HydrophobicContact CD1-CG2 4.11Å; L347-V373 HydrophobicContact CD2-CG2 3.83Å; L347-L404 HydrophobicContact CD2-CD1 4.09Å; L347-A407 HydrophobicContact CD2-CB 4.39Å; L347-A407 HydrophobicContact CG-CB 4.34Å; L347-F408 HydrophobicContact CD2-CB 3.73Å
348E91.5Very high80Confident34 Ų3452 Ų5216%0.15929%0.285CS..Hα-helixtrans-58.3-51.1172.2-74172.9162.100110.3V344 Q345 C350 L351 H352 R403 A407V344-E348 WeakPolarHBondContact O-CG 3.49Å; V344-E348 PolarHBondContact O-N 3.44Å; Q345-E348 WeakPolarHBondContact O-CB 3.41Å; Q345-E348 PolarHBondContact O-N 3.3Å; E348-C350 PolarHBondContact O-N 3.41Å; E348-L351 PolarHBondContact O-N 3.16Å; E348-H352 WeakPolarHBondContact O-CA 3.37Å; E348-H352 WeakPolarHBondContact O-CB 3.47Å; E348-H352 PolarHBondContact O-N 3.36Å; E348-R403 WeakPolarHBondContact OE1-CB 3.48Å; E348-R403 WeakPolarHBondContact OE1-CG 3.44Å; E348-R403 IonicContact OE1-CZ 3.7Å; E348-R403 IonicContact OE1-NE 2.87Å; E348-R403 PolarHBondContact OE1-NE 2.92Å; E348-R403 IonicContact OE1-NH2 3.71Å; E348-R403 IonicContact OE2-CZ 3.39Å; E348-R403 IonicContact OE2-NE 3.33Å; E348-R403 PolarHBondContact OE2-NE 2.88Å; E348-R403 IonicContact OE2-NH2 2.65Å; E348-R403 PolarHBondContact OE2-NH2 2.74Å; E348-A407 HydrophobicContact CB-CB 4.5Å; E348-A407 HydrophobicContact CG-CB 3.55Å
349E89.2Confident78.3Confident121 Ų12154 Ų5457%0.56529%0.287SS*.Hα-helixtrans-61.5-40.6-179.1-71.2169.1-171.800112.6Q345 T346 L351Q345-E349 HydrophobicContact CG-CG 4.46Å; Q345-E349 VanDerWaalsContact CG-OE1 3.23Å; Q345-E349 WeakPolarHBondContact CG-OE1 3.3Å; Q345-E349 PolarHBondContact NE2-OE1 3.14Å; Q345-E349 WeakPolarHBondContact O-CG 3.43Å; Q345-E349 PolarHBondContact O-N 2.97Å; T346-E349 PolarHBondContact O-N 3.2Å; E349-L351 VanDerWaalsContact C-N 3.31Å; E349-L351 PolarHBondContact O-N 2.98Å
350C86.7Confident76.9Confident18 Ų1857.3 Ų57.312%0.12231%0.307CS..Hα-helixtrans-64.2-33.6177.5-71.50000113.1T346 E348 S369T346-C350 WeakPolarHBondContact O-CB 3.39Å; T346-C350 PolarHBondContact O-N 2.58Å; T346-C350 PolarHBondContact O-SG 3.29Å; E348-C350 PolarHBondContact O-N 3.41Å; C350-S369 WeakPolarHBondContact CB-OG 3.4Å
351L82.5Confident76Confident1 Ų158 Ų581%0.00531%0.31CS..Hα-helixtrans-108.5-19.4-170.8-61.4173.1000114L347 E348 E349 G353 C354 Y361 A407 Y434L347-L351 HydrophobicContact CD1-CD1 3.55Å; L347-L351 HydrophobicContact CD1-CG 4.3Å; L347-L351 HydrophobicContact CG-CD1 4.01Å; L347-L351 WeakPolarHBondContact O-CB 3.27Å; L347-L351 PolarHBondContact O-N 3.45Å; E348-L351 PolarHBondContact O-N 3.16Å; E349-L351 VanDerWaalsContact C-N 3.31Å; E349-L351 PolarHBondContact O-N 2.98Å; L351-G353 VanDerWaalsContact C-N 3.31Å; L351-G353 PolarHBondContact O-N 2.92Å; L351-C354 PolarHBondContact O-N 2.95Å; L351-Y361 HydrophobicContact CD2-CD1 4.14Å; L351-Y361 HydrophobicContact CD2-CE1 3.93Å; L351-A407 VanDerWaalsContact CD1-O 3.3Å; L351-A407 WeakPolarHBondContact CD1-O 3.39Å; L351-Y434 HydrophobicContact CD1-CE2 4.33Å; L351-Y434 WeakPolarHBondContact CD1-OH 3.34Å
352H70.2Confident75.4Confident120 Ų12058.7 Ų58.756%0.55631%0.314SS*.Hα-helixtrans-60.9-36.7-179.9-123.561.9000112.7E348 C354 Q355E348-H352 WeakPolarHBondContact O-CA 3.37Å; E348-H352 WeakPolarHBondContact O-CB 3.47Å; E348-H352 PolarHBondContact O-N 3.36Å; H352-C354 PolarHBondContact O-N 3.44Å; H352-Q355 PolarHBondContact O-N 3.45Å
353G54.8Low75Confident46 Ų4659 Ų5947%0.47432%0.32SS..Hα-helixtrans-61.6-30-179.100000113.5L351L351-G353 VanDerWaalsContact C-N 3.31Å; L351-G353 PolarHBondContact O-N 2.92Å
354C52.5Low74.6Confident19 Ų1964.2 Ų64.213%0.12835%0.348CS..Hα-helixtrans-85.7-14-177.4-59.40000113.4L351 H352 S358 Y361L351-C354 PolarHBondContact O-N 2.95Å; H352-C354 PolarHBondContact O-N 3.44Å; C354-S358 WeakPolarHBondContact CA-O 3.44Å; C354-Y361 HydrophobicContact CB-CD1 3.92Å; C354-Y361 HydrophobicContact CB-CE1 3.65Å; C354-Y361 VanDerWaalsContact SG-CD1 3.59Å
355Q56.1Low74.3Confident77 Ų7766.8 Ų66.836%0.3636%0.36SS..Hα-helixtrans-82.8-18.8-178.2-65.9-177.93.500113.3H352H352-Q355 PolarHBondContact O-N 3.45Å
356S51.3Low74.1Confident89 Ų8962.7 Ų62.762%0.62234%0.341SS*.Hα-helixtrans-117.9-37.2-169.4610000116.4
357L43.3Very low74.1Confident168 Ų16865 Ų6588%0.8835%0.352SS*.THydrogen-bonded Turntrans-145.2-18.4-166.6-79.8157.5000117.2
358S47.5Very low74.1Confident73 Ų7365.3 Ų65.351%0.5135%0.354SS..  trans-136.6118.4175.3178.10000109.7C354 V360C354-S358 WeakPolarHBondContact CA-O 3.44Å; S358-V360 PolarHBondContact O-N 2.92Å; S358-V360 VanDerWaalsContact O-N 3.1Å
359R58.4Low74.3Confident169 Ų16963.7 Ų63.764%0.63835%0.346SS*.  trans-78.911.1-165.7-137.9-178.8-155.91706.1114.8
360V65.8Low74.6Confident69 Ų6958.3 Ų58.342%0.41832%0.322SS..  trans-121.5120.6-167.1-171.40000109.4S358 L427S358-V360 PolarHBondContact O-N 2.92Å; S358-V360 VanDerWaalsContact O-N 3.1Å; V360-L427 HydrophobicContact CG1-CD2 4.28Å
361Y77.3Confident75.1Confident16 Ų1657.7 Ų57.76%0.06332%0.317CS..  trans-75140.6169.2-58.6-77.7000109.2L351 C354 L366 C410 D411 L427 L431L351-Y361 HydrophobicContact CD2-CD1 4.14Å; L351-Y361 HydrophobicContact CD2-CE1 3.93Å; C354-Y361 HydrophobicContact CB-CD1 3.92Å; C354-Y361 HydrophobicContact CB-CE1 3.65Å; C354-Y361 VanDerWaalsContact SG-CD1 3.59Å; Y361-L366 HydrophobicContact CD1-CD2 4.14Å; Y361-L366 HydrophobicContact CD2-CD2 4.41Å; Y361-L366 HydrophobicContact CG-CD2 3.91Å; Y361-L366 HydrophobicContact CG-CG 4.3Å; Y361-C410 WeakPolarHBondContact OH-CB 3.48Å; Y361-D411 PolarHBondContact OH-N 3.35Å; Y361-L427 WeakPolarHBondContact O-CD1 3.38Å; Y361-L431 HydrophobicContact CD2-CD1 4.31Å; Y361-L431 HydrophobicContact CE2-CD1 4.16Å
362T84.8Confident75.8Confident67 Ų6757.6 Ų57.641%0.41132%0.317SS..  trans-83.6154.6167.872.90000110.8D364 Q365 L366T362-D364 VanDerWaalsContact C-N 3.29Å; T362-D364 PolarHBondContact O-N 2.97Å; T362-Q365 WeakPolarHBondContact O-CB 3.5Å; T362-Q365 PolarHBondContact O-N 2.65Å; T362-Q365 WeakPolarHBondContact OG1-CB 3.39Å; T362-Q365 WeakPolarHBondContact OG1-CG 3.39Å; T362-Q365 PolarHBondContact OG1-N 3.39Å; T362-Q365 PolarHBondContact OG1-OE1 3.23Å; T362-L366 PolarHBondContact O-N 2.99Å
363T87.8Confident77.1Confident56 Ų5651.9 Ų51.934%0.34429%0.29SS..Hα-helixtrans-52.2-48.4174.1-52.50000111.3Q365 L366 L367 L430T363-Q365 VanDerWaalsContact C-N 3.34Å; T363-Q365 PolarHBondContact O-N 2.92Å; T363-L366 PolarHBondContact O-N 3.29Å; T363-L367 HydrophobicContact CG2-CD1 3.95Å; T363-L367 HydrophobicContact CG2-CG 4.46Å; T363-L367 WeakPolarHBondContact O-CB 3.42Å; T363-L367 WeakPolarHBondContact O-CG 3.34Å; T363-L367 PolarHBondContact O-N 3.13Å; T363-L430 HydrophobicContact CG2-CD1 3.42Å; T363-L430 VanDerWaalsContact CG2-CD1 3.42Å
364D88.1Confident79.1Confident108 Ų10851.3 Ų51.358%0.57828%0.275SS*.Hα-helixtrans-63.2-39.7-178.8-58.8-32.1000112.3T362 L367 L368T362-D364 VanDerWaalsContact C-N 3.29Å; T362-D364 PolarHBondContact O-N 2.97Å; D364-L367 PolarHBondContact O-N 3.08Å; D364-L368 WeakPolarHBondContact O-CB 3.23Å; D364-L368 PolarHBondContact O-N 3.46Å
365Q88.9Confident81.2Confident55 Ų5550.4 Ų50.426%0.25727%0.269SS..Hα-helixtrans-62.6-46.1176-77168.8-13.700111.3T362 T363 S369T362-Q365 WeakPolarHBondContact O-CB 3.5Å; T362-Q365 PolarHBondContact O-N 2.65Å; T362-Q365 WeakPolarHBondContact OG1-CB 3.39Å; T362-Q365 WeakPolarHBondContact OG1-CG 3.39Å; T362-Q365 PolarHBondContact OG1-N 3.39Å; T362-Q365 PolarHBondContact OG1-OE1 3.23Å; T363-Q365 VanDerWaalsContact C-N 3.34Å; T363-Q365 PolarHBondContact O-N 2.92Å; Q365-S369 WeakPolarHBondContact O-CB 3.25Å; Q365-S369 PolarHBondContact O-N 3.49Å; Q365-S369 PolarHBondContact O-OG 2.98Å
366L91.3Very high83.2Confident0 Ų046.8 Ų46.80%025%0.252CS..Hα-helixtrans-67-41.2178.8-70.9178.2000111.8Y361 T362 T363 T370 L427 L430 L431 Y434Y361-L366 HydrophobicContact CD1-CD2 4.14Å; Y361-L366 HydrophobicContact CD2-CD2 4.41Å; Y361-L366 HydrophobicContact CG-CD2 3.91Å; Y361-L366 HydrophobicContact CG-CG 4.3Å; T362-L366 PolarHBondContact O-N 2.99Å; T363-L366 PolarHBondContact O-N 3.29Å; L366-T370 WeakPolarHBondContact O-CB 3.03Å; L366-T370 PolarHBondContact O-N 3.28Å; L366-T370 PolarHBondContact O-OG1 2.8Å; L366-L427 HydrophobicContact CD1-CD1 3.63Å; L366-L427 HydrophobicContact CD1-CG 4.36Å; L366-L430 HydrophobicContact CB-CB 4.27Å; L366-L430 HydrophobicContact CD1-CB 3.98Å; L366-L431 HydrophobicContact CD1-CB 4.16Å; L366-L431 HydrophobicContact CD2-CD1 4.22Å; L366-Y434 HydrophobicContact CD2-CG 4.33Å
367L93.4Very high85.3Confident58 Ų5842.9 Ų42.930%0.30423%0.226SC..Hα-helixtrans-61.5-49.9177.4-74.6172.2000111.5Y313 T363 D364 T370 L371 L430Y313-L367 HydrophobicContact CE2-CB 4.3Å; T363-L367 HydrophobicContact CG2-CD1 3.95Å; T363-L367 HydrophobicContact CG2-CG 4.46Å; T363-L367 WeakPolarHBondContact O-CB 3.42Å; T363-L367 WeakPolarHBondContact O-CG 3.34Å; T363-L367 PolarHBondContact O-N 3.13Å; D364-L367 PolarHBondContact O-N 3.08Å; L367-T370 PolarHBondContact O-N 3.34Å; L367-L371 WeakPolarHBondContact O-CB 3.3Å; L367-L371 PolarHBondContact O-N 2.77Å; L367-L430 HydrophobicContact CD2-CD2 3.65Å; L367-L430 HydrophobicContact CG-CD1 4.47Å; L367-L430 HydrophobicContact CG-CD2 4.31Å
368L94.5Very high87.6Confident8 Ų835.6 Ų35.64%0.04219%0.187CC..Hα-helixtrans-64.1-47.3178.6-179.760000111.4V309 L312 L316 T346 D364 T370 L371 I372V309-L368 HydrophobicContact CG1-CD2 4.27Å; L312-L368 HydrophobicContact CD2-CD1 4.2Å; L312-L368 HydrophobicContact CD2-CD2 3.95Å; L312-L368 HydrophobicContact CG-CD1 4.16Å; L316-L368 HydrophobicContact CD1-CD1 3.52Å; T346-L368 HydrophobicContact CG2-CD2 4.38Å; D364-L368 WeakPolarHBondContact O-CB 3.23Å; D364-L368 PolarHBondContact O-N 3.46Å; L368-T370 VanDerWaalsContact C-N 3.33Å; L368-T370 PolarHBondContact O-N 2.91Å; L368-L371 PolarHBondContact O-N 3.41Å; L368-L371 VanDerWaalsContact O-N 3.15Å; L368-I372 HydrophobicContact CD1-CD1 4.28Å; L368-I372 HydrophobicContact CD1-CG1 4.42Å; L368-I372 HydrophobicContact CG-CD1 4.05Å; L368-I372 WeakPolarHBondContact O-CG1 3.22Å; L368-I372 PolarHBondContact O-N 3.01Å
369S95.1Very high89.9Confident0 Ų032.1 Ų32.10%016%0.163CC..Hα-helixtrans-62.7-40.6179.8-57.50000111.5C350 Q365 L371 I372 V373C350-S369 WeakPolarHBondContact CB-OG 3.4Å; Q365-S369 WeakPolarHBondContact O-CB 3.25Å; Q365-S369 PolarHBondContact O-N 3.49Å; Q365-S369 PolarHBondContact O-OG 2.98Å; S369-L371 VanDerWaalsContact C-N 3.34Å; S369-L371 PolarHBondContact O-N 2.94Å; S369-I372 PolarHBondContact O-N 2.71Å; S369-V373 WeakPolarHBondContact O-CB 3.35Å; S369-V373 VanDerWaalsContact O-CG2 3.26Å; S369-V373 WeakPolarHBondContact O-CG2 3.42Å; S369-V373 PolarHBondContact O-N 2.83Å
370T96.3Very high91.5Very high7 Ų724.2 Ų24.24%0.04313%0.133CC..Hα-helixtrans-60.1-45.9174.3-62.70000110.6L366 L367 L368 I372 V373 Q374 E433 Y434 A437L366-T370 WeakPolarHBondContact O-CB 3.03Å; L366-T370 PolarHBondContact O-N 3.28Å; L366-T370 PolarHBondContact O-OG1 2.8Å; L367-T370 PolarHBondContact O-N 3.34Å; L368-T370 VanDerWaalsContact C-N 3.33Å; L368-T370 PolarHBondContact O-N 2.91Å; T370-I372 PolarHBondContact O-N 3.34Å; T370-V373 PolarHBondContact O-N 3.1Å; T370-Q374 HydrophobicContact CG2-CG 4.23Å; T370-Q374 VanDerWaalsContact CG2-NE2 3.33Å; T370-Q374 VanDerWaalsContact O-CB 3.32Å; T370-Q374 WeakPolarHBondContact O-CB 3.15Å; T370-Q374 WeakPolarHBondContact O-CG 3.42Å; T370-Q374 PolarHBondContact O-N 3.44Å; T370-E433 HydrophobicContact CG2-CG 4.09Å; T370-Y434 WeakPolarHBondContact OG1-CA 3.17Å; T370-Y434 WeakPolarHBondContact OG1-CB 3.4Å; T370-A437 HydrophobicContact CG2-CB 4.22Å
371L96.9Very high92.5Very high5 Ų522 Ų223%0.02612%0.117CC..Hα-helixtrans-64.1-41.5179-175.760.2000112.2Y313 L316 Q317 L367 L368 S369 T375Y313-L371 HydrophobicContact CD1-CD2 4.49Å; Y313-L371 HydrophobicContact CD2-CD2 3.67Å; Y313-L371 HydrophobicContact CE1-CD2 4.5Å; Y313-L371 HydrophobicContact CE2-CB 4.29Å; Y313-L371 HydrophobicContact CE2-CD2 3.68Å; Y313-L371 HydrophobicContact CG-CD2 4.09Å; Y313-L371 WeakPolarHBondContact O-CD2 3.29Å; L316-L371 HydrophobicContact CB-CD2 3.61Å; L316-L371 HydrophobicContact CB-CG 4.04Å; Q317-L371 HydrophobicContact CB-CD2 4.23Å; L367-L371 WeakPolarHBondContact O-CB 3.3Å; L367-L371 PolarHBondContact O-N 2.77Å; L368-L371 PolarHBondContact O-N 3.41Å; L368-L371 VanDerWaalsContact O-N 3.15Å; S369-L371 VanDerWaalsContact C-N 3.34Å; S369-L371 PolarHBondContact O-N 2.94Å; L371-T375 VanDerWaalsContact O-CB 3.29Å; L371-T375 WeakPolarHBondContact O-CB 3.49Å; L371-T375 PolarHBondContact O-N 2.74Å; L371-T375 PolarHBondContact O-OG1 2.63Å
372I97.6Very high92.7Very high0 Ų021.8 Ų21.80%012%0.117CC..Hα-helixtrans-60.1-53175.2-68.1168.4000110.1L316 L343 T346 L347 L368 S369 T370 Q374 T375 L376L316-I372 HydrophobicContact CD1-CD1 4.47Å; L316-I372 HydrophobicContact CD1-CG1 3.78Å; L343-I372 HydrophobicContact CB-CG2 4.09Å; L343-I372 HydrophobicContact CD2-CG1 4.16Å; L343-I372 HydrophobicContact CD2-CG2 4.21Å; T346-I372 HydrophobicContact CG2-CD1 3.71Å; L347-I372 HydrophobicContact CB-CG2 4.21Å; L347-I372 HydrophobicContact CD2-CG2 4.39Å; L368-I372 HydrophobicContact CD1-CD1 4.28Å; L368-I372 HydrophobicContact CD1-CG1 4.42Å; L368-I372 HydrophobicContact CG-CD1 4.05Å; L368-I372 WeakPolarHBondContact O-CG1 3.22Å; L368-I372 PolarHBondContact O-N 3.01Å; S369-I372 PolarHBondContact O-N 2.71Å; T370-I372 PolarHBondContact O-N 3.34Å; I372-Q374 PolarHBondContact O-N 3.1Å; I372-T375 WeakPolarHBondContact O-CB 3.39Å; I372-T375 PolarHBondContact O-N 3.19Å; I372-T375 VanDerWaalsContact O-N 3.14Å; I372-L376 HydrophobicContact CG2-CD1 4.07Å; I372-L376 HydrophobicContact CG2-CG 4.38Å; I372-L376 WeakPolarHBondContact O-CG 3.42Å; I372-L376 PolarHBondContact O-N 3.36Å
373V97.6Very high92.8Very high0 Ų018.6 Ų18.60%010%0.097CC..Hα-helixtrans-61.8-43.6-177.7171.40000111.5L347 S369 T370 T375 L376 A377 F408 Y434 A437 L441L347-V373 HydrophobicContact CD1-CG2 4.11Å; L347-V373 HydrophobicContact CD2-CG2 3.83Å; S369-V373 WeakPolarHBondContact O-CB 3.35Å; S369-V373 VanDerWaalsContact O-CG2 3.26Å; S369-V373 WeakPolarHBondContact O-CG2 3.42Å; S369-V373 PolarHBondContact O-N 2.83Å; T370-V373 PolarHBondContact O-N 3.1Å; V373-T375 VanDerWaalsContact C-N 3.34Å; V373-T375 PolarHBondContact O-N 3.07Å; V373-L376 PolarHBondContact O-N 2.98Å; V373-A377 PolarHBondContact O-N 3.32Å; V373-F408 HydrophobicContact CG2-CB 4.1Å; V373-Y434 HydrophobicContact CG2-CE2 3.97Å; V373-A437 HydrophobicContact CB-CB 4.31Å; V373-A437 HydrophobicContact CG1-CB 3.81Å; V373-A437 VanDerWaalsContact CG1-O 3.27Å; V373-A437 WeakPolarHBondContact CG1-O 3.49Å; V373-L441 HydrophobicContact CB-CD2 4.48Å; V373-L441 HydrophobicContact CG1-CB 3.81Å; V373-L441 HydrophobicContact CG1-CD2 3.91Å; V373-L441 HydrophobicContact CG2-CD2 4.47Å
374Q96.2Very high92.4Very high34 Ų3416.9 Ų16.916%0.1599%0.085CC..Hα-helixtrans-62.6-41.2175.2-71.4175.9-2.900111.4T370 I372 A377 I378 E433 A437T370-Q374 HydrophobicContact CG2-CG 4.23Å; T370-Q374 VanDerWaalsContact CG2-NE2 3.33Å; T370-Q374 VanDerWaalsContact O-CB 3.32Å; T370-Q374 WeakPolarHBondContact O-CB 3.15Å; T370-Q374 WeakPolarHBondContact O-CG 3.42Å; T370-Q374 PolarHBondContact O-N 3.44Å; I372-Q374 PolarHBondContact O-N 3.1Å; Q374-A377 PolarHBondContact O-N 2.91Å; Q374-I378 VanDerWaalsContact O-CD1 3.28Å; Q374-I378 WeakPolarHBondContact O-CD1 3.17Å; Q374-I378 WeakPolarHBondContact O-CG1 3.34Å; Q374-I378 PolarHBondContact O-N 2.75Å; Q374-E433 PolarHBondContact NE2-OE1 2.91Å; Q374-A437 HydrophobicContact CG-CB 3.6Å
375T97.1Very high91.9Very high0 Ų013.4 Ų13.40%07%0.068CC..Hα-helixtrans-62.8-47.6176.9-590000111L319 R320 L371 I372 V373 A377 I378 M379L319-T375 HydrophobicContact CD2-CG2 4.14Å; L319-T375 HydrophobicContact CG-CG2 4.33Å; R320-T375 HydrophobicContact CB-CG2 4.43Å; R320-T375 WeakPolarHBondContact CB-OG1 3.16Å; L371-T375 VanDerWaalsContact O-CB 3.29Å; L371-T375 WeakPolarHBondContact O-CB 3.49Å; L371-T375 PolarHBondContact O-N 2.74Å; L371-T375 PolarHBondContact O-OG1 2.63Å; I372-T375 WeakPolarHBondContact O-CB 3.39Å; I372-T375 PolarHBondContact O-N 3.19Å; I372-T375 VanDerWaalsContact O-N 3.14Å; V373-T375 VanDerWaalsContact C-N 3.34Å; V373-T375 PolarHBondContact O-N 3.07Å; T375-A377 VanDerWaalsContact C-N 3.34Å; T375-A377 PolarHBondContact O-N 2.86Å; T375-I378 PolarHBondContact O-N 2.98Å; T375-I378 VanDerWaalsContact O-N 3.15Å; T375-M379 HydrophobicContact CG2-CE 4.09Å; T375-M379 HydrophobicContact CG2-CG 4.48Å; T375-M379 WeakPolarHBondContact O-CG 3.28Å; T375-M379 PolarHBondContact O-N 3.28Å
376L97.5Very high91.8Very high0 Ų011.9 Ų11.90%06%0.061CC..Hα-helixtrans-57.8-46.5176.3-70178.7000111.2F333 F340 L343 I372 V373 I378 M379 F380 L404 L441F333-L376 HydrophobicContact CZ-CD2 4.26Å; F340-L376 HydrophobicContact CD2-CD2 3.59Å; F340-L376 HydrophobicContact CE2-CD2 3.76Å; L343-L376 HydrophobicContact CB-CD2 4.22Å; L343-L376 HydrophobicContact CD1-CD2 3.68Å; L343-L376 HydrophobicContact CD1-CG 4.32Å; I372-L376 HydrophobicContact CG2-CD1 4.07Å; I372-L376 HydrophobicContact CG2-CG 4.38Å; I372-L376 WeakPolarHBondContact O-CG 3.42Å; I372-L376 PolarHBondContact O-N 3.36Å; V373-L376 PolarHBondContact O-N 2.98Å; L376-I378 PolarHBondContact O-N 3.2Å; L376-M379 WeakPolarHBondContact O-CB 3.45Å; L376-M379 PolarHBondContact O-N 3.44Å; L376-F380 VanDerWaalsContact O-CD2 3.23Å; L376-F380 WeakPolarHBondContact O-CD2 3.07Å; L376-F380 PolarHBondContact O-N 3.32Å; L376-L404 HydrophobicContact CD1-CD1 3.66Å; L376-L404 HydrophobicContact CD1-CD2 4.35Å; L376-L441 HydrophobicContact CB-CD1 3.89Å; L376-L441 HydrophobicContact CB-CD2 4.13Å; L376-L441 HydrophobicContact CD1-CD2 4.2Å
377A95.3Very high91.4Very high8 Ų814 Ų147%0.0668%0.078CC..Hα-helixtrans-56.3-37.8178.300000112.5V373 Q374 T375 R381 L441V373-A377 PolarHBondContact O-N 3.32Å; Q374-A377 PolarHBondContact O-N 2.91Å; T375-A377 VanDerWaalsContact C-N 3.34Å; T375-A377 PolarHBondContact O-N 2.86Å; A377-R381 PolarHBondContact O-N 2.88Å; A377-L441 HydrophobicContact CB-CB 4.33Å; A377-L441 HydrophobicContact CB-CD1 4.4Å
378I93.3Very high91.1Very high14 Ų1412.5 Ų12.57%0.0727%0.074CC..Hα-helixtrans-70.7-38.6176.3-64.5152.9000111.9R320 A323 H324 R330 Q374 T375 L376 R381R320-I378 HydrophobicContact CG-CD1 3.54Å; A323-I378 HydrophobicContact CB-CG2 3.83Å; H324-I378 VanDerWaalsContact CE1-CD1 3.45Å; H324-I378 WeakPolarHBondContact CE1-CD1 3.44Å; H324-I378 WeakPolarHBondContact NE2-CD1 3.38Å; R330-I378 VanDerWaalsContact CD-O 3.22Å; R330-I378 WeakPolarHBondContact CD-O 3.29Å; R330-I378 PolarHBondContact NH1-O 2.9Å; R330-I378 VanDerWaalsContact NH1-O 3.13Å; Q374-I378 VanDerWaalsContact O-CD1 3.28Å; Q374-I378 WeakPolarHBondContact O-CD1 3.17Å; Q374-I378 WeakPolarHBondContact O-CG1 3.34Å; Q374-I378 PolarHBondContact O-N 2.75Å; T375-I378 PolarHBondContact O-N 2.98Å; T375-I378 VanDerWaalsContact O-N 3.15Å; L376-I378 PolarHBondContact O-N 3.2Å; I378-R381 PolarHBondContact O-N 3.43Å
379M95.1Very high90.9Very high0 Ų012.4 Ų12.40%07%0.074CC..Hα-helixtrans-66-36.8178-65.6-60.2-177.900112.1L319 A323 L329 R330 F333 W334 T375 L376 T383L319-M379 HydrophobicContact CD1-CE 3.73Å; L319-M379 HydrophobicContact CD2-CE 4.04Å; L319-M379 HydrophobicContact CG-CE 3.69Å; A323-M379 HydrophobicContact CB-CE 3.69Å; A323-M379 HydrophobicContact CB-SD 4.02Å; L329-M379 HydrophobicContact CD2-CE 4.08Å; R330-M379 HydrophobicContact CB-SD 4.14Å; R330-M379 HydrophobicContact CG-SD 3.76Å; F333-M379 HydrophobicContact CB-CE 4.28Å; F333-M379 HydrophobicContact CB-SD 3.91Å; F333-M379 HydrophobicContact CD1-CB 3.92Å; F333-M379 HydrophobicContact CD1-CG 3.79Å; F333-M379 HydrophobicContact CD1-SD 3.85Å; F333-M379 HydrophobicContact CD2-CE 3.89Å; F333-M379 HydrophobicContact CD2-CG 4.4Å; F333-M379 HydrophobicContact CD2-SD 4.17Å; F333-M379 HydrophobicContact CE1-CB 3.79Å; F333-M379 HydrophobicContact CE1-CG 3.76Å; F333-M379 HydrophobicContact CE1-SD 4.41Å; F333-M379 HydrophobicContact CE2-CE 4.37Å; F333-M379 HydrophobicContact CE2-CG 4.36Å; F333-M379 HydrophobicContact CG-CE 4.01Å; F333-M379 HydrophobicContact CG-CG 4.11Å; F333-M379 HydrophobicContact CG-SD 3.71Å; F333-M379 HydrophobicContact CZ-CB 4.45Å; F333-M379 HydrophobicContact CZ-CG 4.04Å; W334-M379 HydrophobicContact CZ2-CB 4.01Å; W334-M379 PolarHBondContact NE1-O 3.25Å; T375-M379 HydrophobicContact CG2-CE 4.09Å; T375-M379 HydrophobicContact CG2-CG 4.48Å; T375-M379 WeakPolarHBondContact O-CG 3.28Å; T375-M379 PolarHBondContact O-N 3.28Å; L376-M379 WeakPolarHBondContact O-CB 3.45Å; L376-M379 PolarHBondContact O-N 3.44Å; M379-T383 VanDerWaalsContact O-CG2 3.26Å; M379-T383 WeakPolarHBondContact O-CG2 3.36Å; M379-T383 PolarHBondContact O-OG1 2.99Å
380F92Very high90.4Very high3 Ų313.1 Ų13.11%0.0138%0.078CC..Hα-helixtrans-69-30.8177-86.4-80.1000113.4W334 F340 L376 T383 R389 L393 L404 L441 E444 L445 L448W334-F380 HydrophobicContact CH2-CD1 4.18Å; W334-F380 HydrophobicContact CH2-CD2 4.27Å; W334-F380 AromaticContact CH2-CE1 3.89Å; W334-F380 HydrophobicContact CH2-CE1 3.89Å; W334-F380 AromaticContact CH2-CE2 3.96Å; W334-F380 HydrophobicContact CH2-CE2 3.96Å; W334-F380 HydrophobicContact CH2-CG 4.35Å; W334-F380 AromaticContact CH2-CZ 3.76Å; W334-F380 HydrophobicContact CH2-CZ 3.76Å; W334-F380 HydrophobicContact CZ2-CD1 4.2Å; W334-F380 HydrophobicContact CZ2-CD2 4.37Å; W334-F380 HydrophobicContact CZ2-CE1 4.37Å; W334-F380 HydrophobicContact CZ2-CG 4.18Å; F340-F380 HydrophobicContact CE2-CE2 4.06Å; F340-F380 HydrophobicContact CE2-CZ 4.16Å; F340-F380 HydrophobicContact CZ-CZ 4.2Å; L376-F380 VanDerWaalsContact O-CD2 3.23Å; L376-F380 WeakPolarHBondContact O-CD2 3.07Å; L376-F380 PolarHBondContact O-N 3.32Å; F380-T383 PolarHBondContact O-OG1 3.42Å; F380-R389 PolarHBondContact O-NH1 2.56Å; F380-L393 HydrophobicContact CE1-CD1 3.67Å; F380-L393 HydrophobicContact CE1-CD2 4.09Å; F380-L393 HydrophobicContact CZ-CD1 4.39Å; F380-L393 HydrophobicContact CZ-CD2 3.98Å; F380-L404 HydrophobicContact CE2-CD2 4.2Å; F380-L404 HydrophobicContact CZ-CD2 4.39Å; F380-L441 HydrophobicContact CD2-CD1 3.76Å; F380-L441 HydrophobicContact CE2-CD1 4.01Å; F380-E444 HydrophobicContact CB-CB 4Å; F380-L445 HydrophobicContact CD1-CD2 4.37Å; F380-L445 HydrophobicContact CE1-CD2 3.69Å; F380-L445 HydrophobicContact CE2-CD2 4.12Å; F380-L445 HydrophobicContact CZ-CD2 3.57Å; F380-L448 HydrophobicContact CE1-CD2 4.42Å
381R87.1Confident90Very high24 Ų2415.4 Ų15.49%0.09110%0.095CC..THydrogen-bonded Turntrans-70.2136-177.5-170.9170.2-64.51651.1111.5I265 R330 A377 I378 T383 E444I265-R381 VanDerWaalsContact CG2-NH1 3.33Å; R330-R381 PolarHBondContact NH1-O 3.48Å; A377-R381 PolarHBondContact O-N 2.88Å; I378-R381 PolarHBondContact O-N 3.43Å; R381-T383 PolarHBondContact O-N 3.43Å; R381-E444 IonicContact CZ-OE1 3.85Å; R381-E444 VanDerWaalsContact CZ-OE1 3.3Å; R381-E444 IonicContact NE-OE1 2.9Å; R381-E444 PolarHBondContact NE-OE1 3.08Å; R381-E444 IonicContact NH2-OE1 3.36Å; R381-E444 PolarHBondContact NH2-OE1 3.34Å
382E80.9Confident89.7Confident10 Ų1017.1 Ų17.15%0.04710%0.104CC..THydrogen-bonded Turntrans56.429.6174.4-65.4169.4-174.400114.8R36 K266 R330 E384R36-E382 PolarHBondContact NH1-O 3.48Å; R36-E382 PolarHBondContact NH2-O 2.7Å; K266-E382 IonicContact NZ-OE1 3.96Å; R330-E382 IonicContact CZ-OE2 3.8Å; R330-E382 IonicContact NH1-OE2 3.92Å; R330-E382 IonicContact NH2-OE2 2.75Å; R330-E382 PolarHBondContact NH2-OE2 3.15Å; E382-E384 WeakPolarHBondContact CA-OE2 3.49Å
383T86.7Confident89.4Confident0 Ų017.1 Ų17.10%010%0.104CC..  trans-124.112.3178.556.30000113.6R330 W334 M379 F380 R381 V385 E386 R389R330-T383 HydrophobicContact CB-CG2 3.77Å; W334-T383 PolarHBondContact NE1-OG1 3.2Å; W334-T383 VanDerWaalsContact NE1-OG1 3.09Å; M379-T383 VanDerWaalsContact O-CG2 3.26Å; M379-T383 WeakPolarHBondContact O-CG2 3.36Å; M379-T383 PolarHBondContact O-OG1 2.99Å; F380-T383 PolarHBondContact O-OG1 3.42Å; R381-T383 PolarHBondContact O-N 3.43Å; T383-V385 PolarHBondContact O-N 3.25Å; T383-V385 VanDerWaalsContact O-N 3.13Å; T383-E386 WeakPolarHBondContact O-CB 3.3Å; T383-E386 PolarHBondContact O-N 3.18Å; T383-E386 VanDerWaalsContact O-N 3.09Å; T383-R389 VanDerWaalsContact C-NH1 3.29Å; T383-R389 PolarHBondContact OG1-NH1 3.27Å
384E79.8Confident88.9Confident20 Ų2018.8 Ų18.89%0.09311%0.111CC..THydrogen-bonded Turntrans-60.3-22.8-177.365.4-67.7153.300114R36 E382R36-E384 IonicContact CZ-OE1 3.5Å; R36-E384 IonicContact NE-OE1 2.79Å; R36-E384 IonicContact NH1-OE1 3.29Å; E382-E384 WeakPolarHBondContact CA-OE2 3.49Å
385V78.4Confident88.5Confident36 Ų3619.3 Ų19.322%0.21812%0.121CC..THydrogen-bonded Turntrans-87.8-7.6-179.9-59.50000113.9R36 T383 A387R36-V385 HydrophobicContact CB-CG1 3.96Å; R36-V385 VanDerWaalsContact O-CG1 3.29Å; R36-V385 WeakPolarHBondContact O-CG1 3.48Å; T383-V385 PolarHBondContact O-N 3.25Å; T383-V385 VanDerWaalsContact O-N 3.13Å; V385-A387 PolarHBondContact O-N 2.65Å
386E85.4Confident88Confident23 Ų2326.2 Ų26.211%0.10716%0.158CC..  trans-83.3108.2-179.1-171.164.5-13900110.2R331 W334 R335 T383 A388 R389R331-E386 HydrophobicContact CB-CG 4.5Å; R331-E386 WeakPolarHBondContact CD-OE2 3.36Å; R331-E386 WeakPolarHBondContact CG-OE2 3.35Å; W334-E386 HydrophobicContact CB-CG 4.09Å; R335-E386 WeakPolarHBondContact CG-OE1 3.37Å; R335-E386 IonicContact CZ-OE1 3.97Å; R335-E386 IonicContact CZ-OE2 3.39Å; R335-E386 IonicContact NE-OE1 4Å; R335-E386 PolarHBondContact NE-OE1 3.46Å; R335-E386 IonicContact NE-OE2 2.62Å; R335-E386 IonicContact NH2-OE1 3.39Å; R335-E386 PolarHBondContact NH2-OE1 3.44Å; R335-E386 IonicContact NH2-OE2 2.67Å; R335-E386 PolarHBondContact NH2-OE2 3.41Å; T383-E386 WeakPolarHBondContact O-CB 3.3Å; T383-E386 PolarHBondContact O-N 3.18Å; T383-E386 VanDerWaalsContact O-N 3.09Å; E386-A388 HydrophobicContact CG-CB 4.36Å; E386-A388 PolarHBondContact O-N 3.17Å; E386-A388 VanDerWaalsContact O-N 3.15Å; E386-R389 HydrophobicContact CB-CB 4.45Å; E386-R389 VanDerWaalsContact O-CB 3.26Å; E386-R389 WeakPolarHBondContact O-CB 3.38Å; E386-R389 PolarHBondContact O-N 3.44Å
387A82.6Confident87.4Confident43 Ų4335.9 Ų35.936%0.35519%0.194SC..Hα-helixtrans-59-30.9-175.500000114L11 V385 R389 S390 S391L11-A387 HydrophobicContact CD1-CB 4.47Å; V385-A387 PolarHBondContact O-N 2.65Å; A387-R389 VanDerWaalsContact C-N 3.28Å; A387-R389 PolarHBondContact O-N 2.96Å; A387-S390 PolarHBondContact O-N 3.18Å; A387-S391 WeakPolarHBondContact O-CB 3.5Å; A387-S391 PolarHBondContact O-N 3.29Å; A387-S391 PolarHBondContact O-OG 2.8Å
388A88.1Confident87.1Confident28 Ų2835.5 Ų35.523%0.23119%0.191CC..Hα-helixtrans-62.2-36.1176.200000112.1W334 R335 E386 S391 L392W334-A388 WeakPolarHBondContact O-CB 3.33Å; R335-A388 HydrophobicContact CG-CB 4.11Å; E386-A388 HydrophobicContact CG-CB 4.36Å; E386-A388 PolarHBondContact O-N 3.17Å; E386-A388 VanDerWaalsContact O-N 3.15Å; A388-S391 PolarHBondContact O-N 3.01Å; A388-L392 WeakPolarHBondContact O-CB 3.32Å; A388-L392 PolarHBondContact O-N 2.78Å
389R90.4Very high87Confident6 Ų636.9 Ų36.92%0.02321%0.205CC..Hα-helixtrans-59.4-55.3174.4175.4-179159.2-172.6-8.8110.2W334 F380 T383 E386 A387 S391 L392 L393W334-R389 HydrophobicContact CB-CB 4Å; W334-R389 HydrophobicContact CD2-CB 3.69Å; W334-R389 HydrophobicContact CD2-CG 3.7Å; W334-R389 HydrophobicContact CE3-CB 3.91Å; W334-R389 HydrophobicContact CE3-CG 3.77Å; W334-R389 HydrophobicContact CG-CB 3.72Å; W334-R389 HydrophobicContact CG-CG 4.23Å; W334-R389 HydrophobicContact CH2-CG 4.24Å; W334-R389 HydrophobicContact CZ2-CG 4.19Å; W334-R389 HydrophobicContact CZ3-CG 4.04Å; F380-R389 PolarHBondContact O-NH1 2.56Å; T383-R389 VanDerWaalsContact C-NH1 3.29Å; T383-R389 PolarHBondContact OG1-NH1 3.27Å; E386-R389 HydrophobicContact CB-CB 4.45Å; E386-R389 VanDerWaalsContact O-CB 3.26Å; E386-R389 WeakPolarHBondContact O-CB 3.38Å; E386-R389 PolarHBondContact O-N 3.44Å; A387-R389 VanDerWaalsContact C-N 3.28Å; A387-R389 PolarHBondContact O-N 2.96Å; R389-S391 VanDerWaalsContact C-N 3.3Å; R389-S391 PolarHBondContact O-N 3.09Å; R389-L392 PolarHBondContact O-N 3.48Å; R389-L393 HydrophobicContact CG-CD1 3.48Å; R389-L393 VanDerWaalsContact CG-CD1 3.48Å; R389-L393 HydrophobicContact CG-CG 4.08Å; R389-L393 VanDerWaalsContact O-CB 3.23Å; R389-L393 WeakPolarHBondContact O-CB 3.47Å; R389-L393 WeakPolarHBondContact O-CG 3.37Å; R389-L393 PolarHBondContact O-N 3.3Å
390S84.9Confident86.9Confident14 Ų1438 Ų3810%0.09821%0.211CC..Hα-helixtrans-59.9-41.3179.8-57.30000112.1L11 A387 L392 L393 F394L11-S390 VanDerWaalsContact CD1-CB 3.45Å; A387-S390 PolarHBondContact O-N 3.18Å; S390-L392 VanDerWaalsContact C-N 3.34Å; S390-L392 PolarHBondContact O-N 3.08Å; S390-L393 PolarHBondContact O-N 3.03Å; S390-F394 WeakPolarHBondContact O-CB 3.4Å; S390-F394 WeakPolarHBondContact O-CD2 3.27Å; S390-F394 WeakPolarHBondContact O-CG 3.4Å; S390-F394 PolarHBondContact O-N 3.11Å
391S87.3Confident87Confident56 Ų5637.8 Ų37.839%0.39221%0.21SC..Hα-helixtrans-60.2-44.8178.4-55.70000111.6A387 A388 R389 A395A387-S391 WeakPolarHBondContact O-CB 3.5Å; A387-S391 PolarHBondContact O-N 3.29Å; A387-S391 PolarHBondContact O-OG 2.8Å; A388-S391 PolarHBondContact O-N 3.01Å; R389-S391 VanDerWaalsContact C-N 3.3Å; R389-S391 PolarHBondContact O-N 3.09Å; S391-A395 WeakPolarHBondContact O-CB 3.43Å; S391-A395 PolarHBondContact O-N 3.2Å
392L91.1Very high87.3Confident40 Ų4037.9 Ų37.921%0.20921%0.214CC..Hα-helixtrans-69.1-45178.2-176.862.3000112.4W334 F340 A388 R389 S390 L400W334-L392 HydrophobicContact CE3-CD2 4.32Å; F340-L392 HydrophobicContact CB-CD2 4.08Å; F340-L392 HydrophobicContact CD1-CD2 3.56Å; F340-L392 HydrophobicContact CD1-CG 4.12Å; F340-L392 HydrophobicContact CE1-CD2 4.43Å; F340-L392 HydrophobicContact CG-CD2 4.18Å; A388-L392 WeakPolarHBondContact O-CB 3.32Å; A388-L392 PolarHBondContact O-N 2.78Å; R389-L392 PolarHBondContact O-N 3.48Å; S390-L392 VanDerWaalsContact C-N 3.34Å; S390-L392 PolarHBondContact O-N 3.08Å; L392-L400 HydrophobicContact CD1-CD2 4.06Å; L392-L400 HydrophobicContact CG-CD2 4.22Å
393L90.1Very high88Confident0 Ų042 Ų420%023%0.229CC..Hα-helixtrans-70.8-34.5-175.2-74.2-174.1000113.3W334 F340 F380 R389 S390 G398 I401 L448W334-L393 HydrophobicContact CH2-CD2 4.45Å; W334-L393 HydrophobicContact CZ3-CD2 4.12Å; W334-L393 HydrophobicContact CZ3-CG 4.4Å; F340-L393 HydrophobicContact CE1-CD2 3.74Å; F340-L393 HydrophobicContact CZ-CD2 3.81Å; F380-L393 HydrophobicContact CE1-CD1 3.67Å; F380-L393 HydrophobicContact CE1-CD2 4.09Å; F380-L393 HydrophobicContact CZ-CD1 4.39Å; F380-L393 HydrophobicContact CZ-CD2 3.98Å; R389-L393 HydrophobicContact CG-CD1 3.48Å; R389-L393 VanDerWaalsContact CG-CD1 3.48Å; R389-L393 HydrophobicContact CG-CG 4.08Å; R389-L393 VanDerWaalsContact O-CB 3.23Å; R389-L393 WeakPolarHBondContact O-CB 3.47Å; R389-L393 WeakPolarHBondContact O-CG 3.37Å; R389-L393 PolarHBondContact O-N 3.3Å; S390-L393 PolarHBondContact O-N 3.03Å; L393-G398 WeakPolarHBondContact O-CA 3.42Å; L393-I401 HydrophobicContact CB-CD1 3.62Å; L393-I401 HydrophobicContact CB-CG1 4.23Å; L393-I401 HydrophobicContact CD1-CD1 4.27Å; L393-I401 HydrophobicContact CD2-CD1 3.77Å; L393-I401 HydrophobicContact CD2-CG1 3.65Å; L393-I401 HydrophobicContact CG-CD1 4.05Å; L393-I401 HydrophobicContact CG-CG1 4.43Å; L393-I401 WeakPolarHBondContact O-CD1 3.5Å; L393-L448 HydrophobicContact CD1-CD1 4.49Å; L393-L448 HydrophobicContact CD1-CD2 3.78Å
394F87.2Confident88.4Confident35 Ų3542 Ų4215%0.15423%0.229CC..Hα-helixtrans-97.9-4.9-178.8-53-46.4000113.5S390 R397 L448 T452 V462S390-F394 WeakPolarHBondContact O-CB 3.4Å; S390-F394 WeakPolarHBondContact O-CD2 3.27Å; S390-F394 WeakPolarHBondContact O-CG 3.4Å; S390-F394 PolarHBondContact O-N 3.11Å; F394-R397 PolarHBondContact O-N 2.85Å; F394-L448 HydrophobicContact CZ-CD1 3.99Å; F394-T452 HydrophobicContact CE1-CG2 3.53Å; F394-T452 HydrophobicContact CE2-CG2 4.3Å; F394-T452 HydrophobicContact CZ-CG2 3.29Å; F394-V462 HydrophobicContact CD1-CB 4.13Å; F394-V462 HydrophobicContact CD1-CG2 3.61Å; F394-V462 HydrophobicContact CE1-CB 3.8Å; F394-V462 HydrophobicContact CE1-CG1 4.32Å; F394-V462 HydrophobicContact CE1-CG2 3.8Å
395A87.4Confident89.2Confident45 Ų4541 Ų4137%0.37223%0.225SC..G310 helixtrans-53.5143.9172.400000111.3S391 R397 G398S391-A395 WeakPolarHBondContact O-CB 3.43Å; S391-A395 PolarHBondContact O-N 3.2Å; A395-R397 PolarHBondContact O-N 2.9Å; A395-R397 VanDerWaalsContact O-N 3.11Å; A395-G398 PolarHBondContact O-N 3.48Å
396N87.1Confident89.9Confident145 Ų14542.4 Ų42.478%0.77523%0.231SC*.G310 helixtrans49.240.3178.4-60.5-27.3000113.3G398 A399N396-G398 VanDerWaalsContact C-N 3.27Å; N396-G398 PolarHBondContact O-N 3Å; N396-A399 HydrophobicContact CB-CB 3.99Å; N396-A399 PolarHBondContact O-N 2.84Å
397R84.6Confident90.2Very high203 Ų20341.6 Ų41.677%0.76623%0.228SC*.G310 helixtrans58.934.4-178.2-52.4-174173-173.8-2.1113.8F394 A395 F461F394-R397 PolarHBondContact O-N 2.85Å; A395-R397 PolarHBondContact O-N 2.9Å; A395-R397 VanDerWaalsContact O-N 3.11Å; R397-F461 HydrophobicContact CB-CE1 4.36Å; R397-F461 HydrophobicContact CG-CE1 4.09Å
398G88.6Confident90.7Very high0 Ų039.5 Ų39.50%021%0.211CC..G310 helixtrans82.120.3177.100000114.6L393 A395 N396 L400 I401 S402L393-G398 WeakPolarHBondContact O-CA 3.42Å; A395-G398 PolarHBondContact O-N 3.48Å; N396-G398 VanDerWaalsContact C-N 3.27Å; N396-G398 PolarHBondContact O-N 3Å; G398-L400 VanDerWaalsContact C-N 3.27Å; G398-L400 PolarHBondContact O-N 3.37Å; G398-I401 PolarHBondContact O-N 3.42Å; G398-S402 PolarHBondContact O-N 3.41Å; G398-S402 PolarHBondContact O-OG 3.33Å
399A91.9Very high90.9Very high44 Ų4438.2 Ų38.236%0.36420%0.2SC..Hα-helixtrans-52.4-41.7-177.300000113.6N396 S402 R403N396-A399 HydrophobicContact CB-CB 3.99Å; N396-A399 PolarHBondContact O-N 2.84Å; A399-S402 PolarHBondContact O-N 3.38Å; A399-R403 WeakPolarHBondContact O-CG 3.23Å; A399-R403 PolarHBondContact O-N 2.88Å
400L93.4Very high90.7Very high22 Ų2238 Ų3812%0.11520%0.199CC..Hα-helixtrans-70.5-35.9179-17360000112.6F340 V341 V344 L392 G398 R403 L404F340-L400 HydrophobicContact CD1-CD2 3.45Å; F340-L400 VanDerWaalsContact CD1-CD2 3.45Å; F340-L400 HydrophobicContact CD1-CG 4.21Å; F340-L400 HydrophobicContact CE1-CD2 3.38Å; F340-L400 HydrophobicContact CE1-CG 3.69Å; V341-L400 HydrophobicContact CG2-CD2 3.79Å; V344-L400 HydrophobicContact CB-CD1 4.11Å; V344-L400 HydrophobicContact CG1-CD1 3.98Å; V344-L400 HydrophobicContact CG2-CD1 4.17Å; L392-L400 HydrophobicContact CD1-CD2 4.06Å; L392-L400 HydrophobicContact CG-CD2 4.22Å; G398-L400 VanDerWaalsContact C-N 3.27Å; G398-L400 PolarHBondContact O-N 3.37Å; L400-R403 PolarHBondContact O-N 3.41Å; L400-L404 PolarHBondContact O-N 2.98Å
401I94.1Very high90.7Very high0 Ų038.9 Ų38.90%020%0.203CC..Hα-helixtrans-65.5-42.6171.4-70.4-178000110.2L393 G398 R403 L404 L405 L448 V462 W466L393-I401 HydrophobicContact CB-CD1 3.62Å; L393-I401 HydrophobicContact CB-CG1 4.23Å; L393-I401 HydrophobicContact CD1-CD1 4.27Å; L393-I401 HydrophobicContact CD2-CD1 3.77Å; L393-I401 HydrophobicContact CD2-CG1 3.65Å; L393-I401 HydrophobicContact CG-CD1 4.05Å; L393-I401 HydrophobicContact CG-CG1 4.43Å; L393-I401 WeakPolarHBondContact O-CD1 3.5Å; G398-I401 PolarHBondContact O-N 3.42Å; I401-R403 VanDerWaalsContact C-N 3.3Å; I401-R403 PolarHBondContact O-N 3.25Å; I401-L404 PolarHBondContact O-N 3.34Å; I401-L405 HydrophobicContact CG2-CD1 3.74Å; I401-L405 HydrophobicContact CG2-CG 4.06Å; I401-L405 WeakPolarHBondContact O-CB 3.38Å; I401-L405 VanDerWaalsContact O-CG 3.29Å; I401-L405 WeakPolarHBondContact O-CG 3.22Å; I401-L405 PolarHBondContact O-N 2.91Å; I401-L448 HydrophobicContact CD1-CD2 3.84Å; I401-V462 HydrophobicContact CD1-CG1 3.8Å; I401-V462 HydrophobicContact CD1-CG2 4.2Å; I401-V462 HydrophobicContact CG2-CG1 4.33Å; I401-W466 HydrophobicContact CB-CH2 4.4Å; I401-W466 HydrophobicContact CG2-CH2 4.17Å; I401-W466 HydrophobicContact CG2-CZ3 3.83Å
402S94Very high90.3Very high26 Ų2637.1 Ų37.118%0.18219%0.19CC..Hα-helixtrans-60-43.8178.2-59.50000111.6G398 A399 L405 L406 W466G398-S402 PolarHBondContact O-N 3.41Å; G398-S402 PolarHBondContact O-OG 3.33Å; A399-S402 PolarHBondContact O-N 3.38Å; S402-L405 PolarHBondContact O-N 2.83Å; S402-L406 VanDerWaalsContact O-CG 3.3Å; S402-L406 WeakPolarHBondContact O-CG 3.25Å; S402-L406 PolarHBondContact O-N 3.48Å; S402-W466 WeakPolarHBondContact OG-CH2 3.22Å; S402-W466 VanDerWaalsContact OG-CZ2 3.26Å; S402-W466 WeakPolarHBondContact OG-CZ2 3.3Å
403R94.9Very high89.3Confident95 Ų9536.5 Ų36.536%0.35819%0.194SC..Hα-helixtrans-56.3-53.1172.4-82.3-179.467.5-168.24.1112.2V344 E348 A399 L400 I401 L405 L406 A407V344-R403 HydrophobicContact CG1-CB 4.09Å; E348-R403 WeakPolarHBondContact OE1-CB 3.48Å; E348-R403 WeakPolarHBondContact OE1-CG 3.44Å; E348-R403 IonicContact OE1-CZ 3.7Å; E348-R403 IonicContact OE1-NE 2.87Å; E348-R403 PolarHBondContact OE1-NE 2.92Å; E348-R403 IonicContact OE1-NH2 3.71Å; E348-R403 IonicContact OE2-CZ 3.39Å; E348-R403 IonicContact OE2-NE 3.33Å; E348-R403 PolarHBondContact OE2-NE 2.88Å; E348-R403 IonicContact OE2-NH2 2.65Å; E348-R403 PolarHBondContact OE2-NH2 2.74Å; A399-R403 WeakPolarHBondContact O-CG 3.23Å; A399-R403 PolarHBondContact O-N 2.88Å; L400-R403 PolarHBondContact O-N 3.41Å; I401-R403 VanDerWaalsContact C-N 3.3Å; I401-R403 PolarHBondContact O-N 3.25Å; R403-L405 PolarHBondContact O-N 2.84Å; R403-L406 PolarHBondContact O-N 3.01Å; R403-A407 WeakPolarHBondContact O-CB 3.3Å; R403-A407 PolarHBondContact O-N 2.95Å
404L96Very high87.7Confident0 Ų037.1 Ų37.10%020%0.2CC..Hα-helixtrans-55.3-49.8176.2175.359.9000112F340 V344 L347 L376 F380 L400 I401 L406 A407 F408 L441 L445F340-L404 HydrophobicContact CE2-CD2 4.11Å; F340-L404 HydrophobicContact CZ-CD2 4.03Å; V344-L404 HydrophobicContact CG1-CB 4.26Å; V344-L404 HydrophobicContact CG2-CB 4.06Å; V344-L404 HydrophobicContact CG2-CD1 4.19Å; L347-L404 HydrophobicContact CD2-CD1 4.09Å; L376-L404 HydrophobicContact CD1-CD1 3.66Å; L376-L404 HydrophobicContact CD1-CD2 4.35Å; F380-L404 HydrophobicContact CE2-CD2 4.2Å; F380-L404 HydrophobicContact CZ-CD2 4.39Å; L400-L404 PolarHBondContact O-N 2.98Å; I401-L404 PolarHBondContact O-N 3.34Å; L404-L406 VanDerWaalsContact C-N 3.3Å; L404-L406 PolarHBondContact O-N 3.37Å; L404-A407 PolarHBondContact O-N 2.88Å; L404-A407 VanDerWaalsContact O-N 3.11Å; L404-F408 HydrophobicContact CD1-CD1 3.88Å; L404-F408 HydrophobicContact CG-CD1 3.98Å; L404-F408 HydrophobicContact CG-CE1 4.18Å; L404-F408 WeakPolarHBondContact O-CD1 3.47Å; L404-F408 PolarHBondContact O-N 3.48Å; L404-L441 HydrophobicContact CD1-CD2 4.18Å; L404-L441 HydrophobicContact CD2-CD2 4.5Å; L404-L445 HydrophobicContact CD2-CD1 4.29Å
405L95.6Very high86.1Confident0 Ų037.8 Ų37.80%020%0.203CC..Hα-helixtrans-56.1-43.8-179.9-77.4171.2000112I401 S402 R403 F408 I409 L442 L445 W466 I467 V470 L471I401-L405 HydrophobicContact CG2-CD1 3.74Å; I401-L405 HydrophobicContact CG2-CG 4.06Å; I401-L405 WeakPolarHBondContact O-CB 3.38Å; I401-L405 VanDerWaalsContact O-CG 3.29Å; I401-L405 WeakPolarHBondContact O-CG 3.22Å; I401-L405 PolarHBondContact O-N 2.91Å; S402-L405 PolarHBondContact O-N 2.83Å; R403-L405 PolarHBondContact O-N 2.84Å; L405-F408 HydrophobicContact CD2-CE1 4.09Å; L405-F408 HydrophobicContact CD2-CZ 4.11Å; L405-I409 WeakPolarHBondContact O-CG1 3.25Å; L405-L442 HydrophobicContact CD2-CD1 3.96Å; L405-L445 HydrophobicContact CD2-CD1 3.64Å; L405-L445 HydrophobicContact CG-CD1 4.34Å; L405-W466 HydrophobicContact CD1-CZ3 4.04Å; L405-I467 HydrophobicContact CD1-CB 4.38Å; L405-I467 HydrophobicContact CD1-CG1 4.38Å; L405-I467 HydrophobicContact CD1-CG2 3.95Å; L405-I467 HydrophobicContact CD2-CG2 3.8Å; L405-V470 HydrophobicContact CB-CG1 4.23Å; L405-V470 HydrophobicContact CD1-CB 4.21Å; L405-V470 HydrophobicContact CD1-CG1 4.03Å; L405-L471 HydrophobicContact CB-CD2 3.79Å; L405-L471 HydrophobicContact CB-CG 4.35Å; L405-L471 HydrophobicContact CD2-CD1 4.24Å; L405-L471 HydrophobicContact CD2-CD2 4.41Å; L405-L471 HydrophobicContact CD2-CG 4.38Å; L405-L471 WeakPolarHBondContact O-CD2 3.43Å
406L93.1Very high84.2Confident66 Ų6644.9 Ų44.935%0.34623%0.226SC..Hα-helixtrans-74.5-28.6178.8-65.4171.9000112.4S402 R403 L404 V470 H474S402-L406 VanDerWaalsContact O-CG 3.3Å; S402-L406 WeakPolarHBondContact O-CG 3.25Å; S402-L406 PolarHBondContact O-N 3.48Å; R403-L406 PolarHBondContact O-N 3.01Å; L404-L406 VanDerWaalsContact C-N 3.3Å; L404-L406 PolarHBondContact O-N 3.37Å; L406-V470 HydrophobicContact CD2-CG1 4.49Å; L406-V470 HydrophobicContact CG-CG1 4.3Å; L406-H474 HydrophobicContact CD2-CB 4.28Å; L406-H474 PolarHBondContact O-NE2 3.08Å
407A92.4Very high82.1Confident5 Ų546.2 Ų46.24%0.04123%0.227CC..Hα-helixtrans-71.2-43.8-177.900000113.2L347 E348 L351 R403 L404L347-A407 HydrophobicContact CD2-CB 4.39Å; L347-A407 HydrophobicContact CG-CB 4.34Å; E348-A407 HydrophobicContact CB-CB 4.5Å; E348-A407 HydrophobicContact CG-CB 3.55Å; L351-A407 VanDerWaalsContact CD1-O 3.3Å; L351-A407 WeakPolarHBondContact CD1-O 3.39Å; R403-A407 WeakPolarHBondContact O-CB 3.3Å; R403-A407 PolarHBondContact O-N 2.95Å; L404-A407 PolarHBondContact O-N 2.88Å; L404-A407 VanDerWaalsContact O-N 3.11Å
408F92.9Very high80.2Confident0 Ų039.5 Ų39.50%021%0.212CC..Hα-helixtrans-90-8.2-168.276-108.3000115.1L347 V373 L404 L405 C410 Y434 A438 L441 L442 L445L347-F408 HydrophobicContact CD2-CB 3.73Å; V373-F408 HydrophobicContact CG2-CB 4.1Å; L404-F408 HydrophobicContact CD1-CD1 3.88Å; L404-F408 HydrophobicContact CG-CD1 3.98Å; L404-F408 HydrophobicContact CG-CE1 4.18Å; L404-F408 WeakPolarHBondContact O-CD1 3.47Å; L404-F408 PolarHBondContact O-N 3.48Å; L405-F408 HydrophobicContact CD2-CE1 4.09Å; L405-F408 HydrophobicContact CD2-CZ 4.11Å; F408-C410 PolarHBondContact O-N 3.34Å; F408-Y434 VanDerWaalsContact C-OH 3.25Å; F408-Y434 WeakPolarHBondContact CA-OH 3.39Å; F408-Y434 WeakPolarHBondContact O-CE1 3.26Å; F408-Y434 PolarHBondContact O-OH 3.45Å; F408-A438 HydrophobicContact CD2-CB 3.83Å; F408-A438 HydrophobicContact CE2-CB 4.37Å; F408-L441 HydrophobicContact CD1-CD2 3.81Å; F408-L441 HydrophobicContact CE1-CD2 4Å; F408-L441 HydrophobicContact CE1-CG 4.25Å; F408-L441 HydrophobicContact CG-CD2 4.28Å; F408-L442 HydrophobicContact CE2-CB 3.94Å; F408-L442 HydrophobicContact CZ-CB 3.89Å; F408-L442 HydrophobicContact CZ-CD1 4.11Å; F408-L442 HydrophobicContact CZ-CG 4.5Å; F408-L445 HydrophobicContact CE1-CD1 3.67Å; F408-L445 HydrophobicContact CZ-CD1 4.01Å
409I91.3Very high78.2Confident0 Ų051.4 Ų51.40%026%0.256CS..  trans-80.9118.8176.7-62.2-63.4000109.5L405 L442 L471 H474 H476 F480L405-I409 WeakPolarHBondContact O-CG1 3.25Å; I409-L442 HydrophobicContact CD1-CD2 4.45Å; I409-L471 HydrophobicContact CG1-CD2 3.76Å; I409-H474 PolarHBondContact O-CE1 3.42Å; I409-H476 HydrophobicContact CG2-CB 4.24Å; I409-F480 HydrophobicContact CD1-CD1 3.96Å; I409-F480 HydrophobicContact CD1-CD2 4.35Å; I409-F480 HydrophobicContact CD1-CE1 3.93Å; I409-F480 HydrophobicContact CD1-CE2 4.34Å; I409-F480 HydrophobicContact CD1-CG 4.18Å; I409-F480 HydrophobicContact CD1-CZ 4.13Å; I409-F480 HydrophobicContact CG2-CB 4.15Å; I409-F480 HydrophobicContact CG2-CG 4.36Å
410C86.2Confident76.4Confident1 Ų153.2 Ų53.21%0.00728%0.28CS..  trans-120.3161-176.6-67.30000112.5Y361 F408 P412 Y434Y361-C410 WeakPolarHBondContact OH-CB 3.48Å; F408-C410 PolarHBondContact O-N 3.34Å; C410-P412 WeakPolarHBondContact O-CD 3.22Å; C410-Y434 HydrophobicContact CB-CD1 4.31Å; C410-Y434 HydrophobicContact CB-CE1 3.73Å; C410-Y434 WeakPolarHBondContact SG-CE1 3.45Å
411D85.5Confident74.9Confident34 Ų3454.6 Ų54.618%0.18229%0.291CS..  trans-70.7118.3172.5-163.7-9.3000111.2Y361 G413 H476Y361-D411 PolarHBondContact OH-N 3.35Å; D411-G413 PolarHBondContact O-N 3.23Å; D411-G413 PolarHBondContact OD1-N 2.92Å; D411-H476 WeakPolarHBondContact CB-ND1 3.46Å; D411-H476 IonicContact OD2-CE1 3.61Å; D411-H476 IonicContact OD2-ND1 3.69Å
412P79.1Confident73.4Confident18 Ų1858.6 Ų58.612%0.11732%0.324CS..THydrogen-bonded Turntrans-72-12.1172.531.1-36.3000113.7C410 L435 P479 H483C410-P412 WeakPolarHBondContact O-CD 3.22Å; P412-L435 HydrophobicContact CB-CD1 3.67Å; P412-L435 HydrophobicContact CB-CD2 4.46Å; P412-P479 HydrophobicContact CG-CB 3.76Å; P412-P479 WeakPolarHBondContact CG-O 3.47Å; P412-H483 HydrophobicContact CB-CB 3.78Å; P412-H483 HydrophobicContact CG-CB 3.92Å
413G69.4Low71.8Confident28 Ų2861.4 Ų61.429%0.28934%0.344SS..THydrogen-bonded Turntrans-96.921.8-175.900000115.4D411 E415 K416D411-G413 PolarHBondContact O-N 3.23Å; D411-G413 PolarHBondContact OD1-N 2.92Å; G413-E415 PolarHBondContact O-N 3.44Å; G413-K416 PolarHBondContact O-N 3.45Å
414G56.3Low70.7Confident12 Ų1258.5 Ų58.512%0.12434%0.335CS..THydrogen-bonded Turntrans-45.4-24.2-16900000116.9
415E54Low69.9Low50 Ų5062.2 Ų62.223%0.23436%0.361CS..THydrogen-bonded Turntrans-142.169.1177.8-69.8-172.2139.800113.4G413 Q417G413-E415 PolarHBondContact O-N 3.44Å; E415-Q417 VanDerWaalsContact C-N 3.25Å
416K48.4Very low69.4Low194 Ų19467.9 Ų67.984%0.84339%0.388SS*.SBendtrans-82.45163.8-77.3-169.5176.5-175.40114.3G413G413-K416 PolarHBondContact O-N 3.45Å
417Q43.5Very low69.1Low172 Ų17265.9 Ų65.980%0.80438%0.377SS*.SBendtrans-127.91.1-168.7-79.7176.9-9.100117.4E415E415-Q417 VanDerWaalsContact C-N 3.25Å
418S43.3Very low68.8Low63 Ų6369.5 Ų69.544%0.44139%0.393SS..SBendtrans-118.2136.3170.144.80000111.6G420S418-G420 PolarHBondContact O-N 3.24Å
419R47.1Very low68.7Low249 Ų24972.4 Ų72.494%0.9442%0.417SS*.  trans-76.4114.2-175-84.6169.2152.8171.7-7.7111.1S421R419-S421 PolarHBondContact O-N 2.9Å
420G54.4Low68.8Low83 Ų8373.4 Ų73.486%0.85642%0.423SS*.  trans58.340.9132.400000118.1S418S418-G420 PolarHBondContact O-N 3.24Å
421S61.8Low69.1Low51 Ų5173.5 Ų73.536%0.35742%0.423SS..  trans-94.5155.9168.8102.50000111.9R419 S423 D424R419-S421 PolarHBondContact O-N 2.9Å; S421-S423 VanDerWaalsContact C-N 3.28Å; S421-S423 PolarHBondContact O-N 3.34Å; S421-S423 PolarHBondContact OG-N 2.99Å; S421-D424 PolarHBondContact N-OD2 3.17Å; S421-D424 WeakPolarHBondContact O-CB 3.2Å; S421-D424 PolarHBondContact O-N 3.3Å; S421-D424 PolarHBondContact OG-N 2.91Å; S421-D424 PolarHBondContact OG-OD1 2.92Å; S421-D424 PolarHBondContact OG-OD2 3.04Å
422A61.3Low69.4Low83 Ų8373.5 Ų73.569%0.68643%0.426SS*.Hα-helixtrans-65.6-32.4175.100000112.1D424 S425 E426A422-D424 VanDerWaalsContact C-N 3.3Å; A422-D424 PolarHBondContact O-N 2.94Å; A422-S425 WeakPolarHBondContact O-CB 3.43Å; A422-S425 PolarHBondContact O-N 3.4Å; A422-S425 PolarHBondContact O-OG 3.45Å; A422-E426 PolarHBondContact O-N 2.84Å
423S61.9Low70.2Confident85 Ų8577.1 Ų77.159%0.59444%0.441SS*.Hα-helixtrans-65.3-33176.4-52.40000112.3S421 S425 E426 L427S421-S423 VanDerWaalsContact C-N 3.28Å; S421-S423 PolarHBondContact O-N 3.34Å; S421-S423 PolarHBondContact OG-N 2.99Å; S423-S425 PolarHBondContact O-N 3.2Å; S423-E426 PolarHBondContact O-N 3.24Å; S423-L427 PolarHBondContact O-N 3.44Å; S423-L427 VanDerWaalsContact O-N 3.08Å
424D71.3Confident71.4Confident34 Ų3475.8 Ų75.818%0.18243%0.427CS..Hα-helixtrans-64.4-32.6176.5-51.3-6.3000110.5S421 A422 Q428S421-D424 PolarHBondContact N-OD2 3.17Å; S421-D424 WeakPolarHBondContact O-CB 3.2Å; S421-D424 PolarHBondContact O-N 3.3Å; S421-D424 PolarHBondContact OG-N 2.91Å; S421-D424 PolarHBondContact OG-OD1 2.92Å; S421-D424 PolarHBondContact OG-OD2 3.04Å; A422-D424 VanDerWaalsContact C-N 3.3Å; A422-D424 PolarHBondContact O-N 2.94Å; D424-Q428 VanDerWaalsContact O-CB 3.24Å; D424-Q428 WeakPolarHBondContact O-CB 3.19Å; D424-Q428 PolarHBondContact O-N 3.02Å
425S79.4Confident73.3Confident78 Ų7875.2 Ų75.255%0.54542%0.422SS..Hα-helixtrans-72.2-36.917976.40000113.3A422 S423 A429A422-S425 WeakPolarHBondContact O-CB 3.43Å; A422-S425 PolarHBondContact O-N 3.4Å; A422-S425 PolarHBondContact O-OG 3.45Å; S423-S425 PolarHBondContact O-N 3.2Å; S425-A429 PolarHBondContact O-N 3.32Å; S425-A429 VanDerWaalsContact O-N 3.08Å
426E85.8Confident75.4Confident120 Ų12074.5 Ų74.556%0.56142%0.419SS*.Hα-helixtrans-70-44.9175.8-176.3176.6-173.600110.8A422 S423 Q428 A429 L430A422-E426 PolarHBondContact O-N 2.84Å; S423-E426 PolarHBondContact O-N 3.24Å; E426-Q428 VanDerWaalsContact C-N 3.31Å; E426-Q428 PolarHBondContact O-N 3.22Å; E426-A429 WeakPolarHBondContact O-CB 3.16Å; E426-A429 PolarHBondContact O-N 3.09Å; E426-A429 VanDerWaalsContact O-N 3.14Å; E426-L430 WeakPolarHBondContact O-CG 3.22Å; E426-L430 PolarHBondContact O-N 3.38Å
427L85.9Confident77.7Confident24 Ų2465.4 Ų65.413%0.12638%0.381CS..Hα-helixtrans-61.4-41.6176.9-171.968.3000111.6V360 Y361 L366 S423 A429 L430 L431V360-L427 HydrophobicContact CG1-CD2 4.28Å; Y361-L427 WeakPolarHBondContact O-CD1 3.38Å; L366-L427 HydrophobicContact CD1-CD1 3.63Å; L366-L427 HydrophobicContact CD1-CG 4.36Å; S423-L427 PolarHBondContact O-N 3.44Å; S423-L427 VanDerWaalsContact O-N 3.08Å; L427-A429 VanDerWaalsContact C-N 3.32Å; L427-A429 PolarHBondContact O-N 3.4Å; L427-L430 PolarHBondContact O-N 3.1Å; L427-L431 WeakPolarHBondContact O-CB 3.44Å; L427-L431 PolarHBondContact O-N 3.39Å
428Q86.8Confident80.2Confident80 Ų8057.2 Ų57.237%0.37434%0.342SS..Hα-helixtrans-65.2-35176.1-170.56324.300112.4D424 E426 L431 S432D424-Q428 VanDerWaalsContact O-CB 3.24Å; D424-Q428 WeakPolarHBondContact O-CB 3.19Å; D424-Q428 PolarHBondContact O-N 3.02Å; E426-Q428 VanDerWaalsContact C-N 3.31Å; E426-Q428 PolarHBondContact O-N 3.22Å; Q428-L431 PolarHBondContact O-N 2.86Å; Q428-S432 PolarHBondContact O-N 2.9Å
429A90.7Very high82.8Confident61 Ų6154.2 Ų54.250%0.50432%0.321SS..Hα-helixtrans-65.6-44.717400000111.5S425 E426 L427 L431 S432 E433S425-A429 PolarHBondContact O-N 3.32Å; S425-A429 VanDerWaalsContact O-N 3.08Å; E426-A429 WeakPolarHBondContact O-CB 3.16Å; E426-A429 PolarHBondContact O-N 3.09Å; E426-A429 VanDerWaalsContact O-N 3.14Å; L427-A429 VanDerWaalsContact C-N 3.32Å; L427-A429 PolarHBondContact O-N 3.4Å; A429-L431 PolarHBondContact O-N 2.98Å; A429-S432 WeakPolarHBondContact O-CB 3.47Å; A429-S432 PolarHBondContact O-N 3Å; A429-E433 PolarHBondContact O-N 2.85Å
430L92.3Very high85.1Confident21 Ų2143.5 Ų43.511%0.1128%0.284CS..Hα-helixtrans-63.1-40.4175.2-69.9174.2000112.2T363 L366 L367 E426 L427 S432 E433 Y434T363-L430 HydrophobicContact CG2-CD1 3.42Å; T363-L430 VanDerWaalsContact CG2-CD1 3.42Å; L366-L430 HydrophobicContact CB-CB 4.27Å; L366-L430 HydrophobicContact CD1-CB 3.98Å; L367-L430 HydrophobicContact CD2-CD2 3.65Å; L367-L430 HydrophobicContact CG-CD1 4.47Å; L367-L430 HydrophobicContact CG-CD2 4.31Å; E426-L430 WeakPolarHBondContact O-CG 3.22Å; E426-L430 PolarHBondContact O-N 3.38Å; L427-L430 PolarHBondContact O-N 3.1Å; L430-S432 VanDerWaalsContact C-N 3.31Å; L430-S432 PolarHBondContact O-N 3.34Å; L430-E433 PolarHBondContact O-N 2.94Å; L430-Y434 WeakPolarHBondContact O-CB 3.35Å; L430-Y434 PolarHBondContact O-N 3.09Å
431L92.2Very high87.2Confident4 Ų439.5 Ų39.52%0.02124%0.243CC..Hα-helixtrans-62.8-40.7174.8-179.860.6000110.9Y361 L366 L427 Q428 A429 Y434 L435Y361-L431 HydrophobicContact CD2-CD1 4.31Å; Y361-L431 HydrophobicContact CE2-CD1 4.16Å; L366-L431 HydrophobicContact CD1-CB 4.16Å; L366-L431 HydrophobicContact CD2-CD1 4.22Å; L427-L431 WeakPolarHBondContact O-CB 3.44Å; L427-L431 PolarHBondContact O-N 3.39Å; Q428-L431 PolarHBondContact O-N 2.86Å; A429-L431 PolarHBondContact O-N 2.98Å; L431-Y434 WeakPolarHBondContact O-CB 3.4Å; L431-Y434 PolarHBondContact O-N 3.2Å; L431-L435 HydrophobicContact CD1-CD1 4.42Å; L431-L435 HydrophobicContact CD1-CG 4.37Å; L431-L435 HydrophobicContact CG-CD1 4.1Å; L431-L435 WeakPolarHBondContact O-CD1 3.38Å; L431-L435 WeakPolarHBondContact O-CG 3.45Å; L431-L435 PolarHBondContact O-N 3.44Å
432S93Very high88.9Confident34 Ų3437.1 Ų37.124%0.23823%0.227CC..Hα-helixtrans-62.1-43.9174.2-166.10000111.8Q428 A429 L430 Y434 L435 D436Q428-S432 PolarHBondContact O-N 2.9Å; A429-S432 WeakPolarHBondContact O-CB 3.47Å; A429-S432 PolarHBondContact O-N 3Å; L430-S432 VanDerWaalsContact C-N 3.31Å; L430-S432 PolarHBondContact O-N 3.34Å; S432-Y434 VanDerWaalsContact C-N 3.32Å; S432-Y434 PolarHBondContact O-N 3.35Å; S432-L435 PolarHBondContact O-N 2.94Å; S432-D436 PolarHBondContact O-N 2.99Å
433E95.1Very high90.4Very high94 Ų9433.3 Ų33.344%0.43920%0.195SC..Hα-helixtrans-62.3-41.2176.5-170.3-178.4165.600111.6T370 Q374 A429 L430 D436 A437T370-E433 HydrophobicContact CG2-CG 4.09Å; Q374-E433 PolarHBondContact NE2-OE1 2.91Å; A429-E433 PolarHBondContact O-N 2.85Å; L430-E433 PolarHBondContact O-N 2.94Å; E433-D436 PolarHBondContact O-N 3.28Å; E433-A437 PolarHBondContact O-N 3.19Å
434Y95.9Very high91.9Very high0 Ų029.6 Ų29.60%017%0.168CC..Hα-helixtrans-59.9-47.5174.7176-93.4000111.7L351 L366 T370 V373 F408 C410 L430 L431 S432 D436 A437 A438L351-Y434 HydrophobicContact CD1-CE2 4.33Å; L351-Y434 WeakPolarHBondContact CD1-OH 3.34Å; L366-Y434 HydrophobicContact CD2-CG 4.33Å; T370-Y434 WeakPolarHBondContact OG1-CA 3.17Å; T370-Y434 WeakPolarHBondContact OG1-CB 3.4Å; V373-Y434 HydrophobicContact CG2-CE2 3.97Å; F408-Y434 VanDerWaalsContact C-OH 3.25Å; F408-Y434 WeakPolarHBondContact CA-OH 3.39Å; F408-Y434 WeakPolarHBondContact O-CE1 3.26Å; F408-Y434 PolarHBondContact O-OH 3.45Å; C410-Y434 HydrophobicContact CB-CD1 4.31Å; C410-Y434 HydrophobicContact CB-CE1 3.73Å; C410-Y434 WeakPolarHBondContact SG-CE1 3.45Å; L430-Y434 WeakPolarHBondContact O-CB 3.35Å; L430-Y434 PolarHBondContact O-N 3.09Å; L431-Y434 WeakPolarHBondContact O-CB 3.4Å; L431-Y434 PolarHBondContact O-N 3.2Å; S432-Y434 VanDerWaalsContact C-N 3.32Å; S432-Y434 PolarHBondContact O-N 3.35Å; Y434-D436 PolarHBondContact O-N 3.13Å; Y434-A437 WeakPolarHBondContact O-CB 3.48Å; Y434-A437 PolarHBondContact O-N 2.93Å; Y434-A438 HydrophobicContact CE1-CB 4.31Å; Y434-A438 WeakPolarHBondContact O-CB 3.43Å; Y434-A438 PolarHBondContact O-N 2.99Å
435L96Very high93Very high0 Ų028 Ų280%016%0.159CC..Hα-helixtrans-63-32179.4-69166.1000112P412 L431 S432 C439 F480 Q484P412-L435 HydrophobicContact CB-CD1 3.67Å; P412-L435 HydrophobicContact CB-CD2 4.46Å; L431-L435 HydrophobicContact CD1-CD1 4.42Å; L431-L435 HydrophobicContact CD1-CG 4.37Å; L431-L435 HydrophobicContact CG-CD1 4.1Å; L431-L435 WeakPolarHBondContact O-CD1 3.38Å; L431-L435 WeakPolarHBondContact O-CG 3.45Å; L431-L435 PolarHBondContact O-N 3.44Å; S432-L435 PolarHBondContact O-N 2.94Å; L435-C439 WeakPolarHBondContact O-CB 3.39Å; L435-C439 PolarHBondContact O-N 3.42Å; L435-F480 HydrophobicContact CD2-CD2 3.64Å; L435-F480 HydrophobicContact CD2-CE2 3.87Å; L435-Q484 PolarHBondContact O-NE2 3.41Å
436D96.6Very high93.6Very high34 Ų3424.4 Ų24.418%0.18213%0.134CC..Hα-helixtrans-72.4-40.9175.9-70.1-5.6000111.8S432 E433 Y434 C439 S440 L507 R511S432-D436 PolarHBondContact O-N 2.99Å; E433-D436 PolarHBondContact O-N 3.28Å; Y434-D436 PolarHBondContact O-N 3.13Å; D436-C439 PolarHBondContact O-N 2.81Å; D436-S440 PolarHBondContact O-N 2.9Å; D436-S440 PolarHBondContact O-OG 2.82Å; D436-L507 HydrophobicContact CB-CD1 4.04Å; D436-L507 HydrophobicContact CB-CD2 3.79Å; D436-L507 VanDerWaalsContact OD2-CD2 3.27Å; D436-L507 WeakPolarHBondContact OD2-CD2 3.47Å; D436-R511 IonicContact OD1-CZ 3.21Å; D436-R511 IonicContact OD1-NH2 3.27Å; D436-R511 PolarHBondContact OD1-NH2 3.46Å; D436-R511 IonicContact OD2-NH2 3.56Å; D436-R511 PolarHBondContact OD2-NH2 2.99Å
437A97.1Very high93.6Very high4 Ų419.4 Ų19.43%0.03311%0.111CC..Hα-helixtrans-62.1-45.2170.700000111.4T370 V373 Q374 E433 Y434 C439 S440 L441T370-A437 HydrophobicContact CG2-CB 4.22Å; V373-A437 HydrophobicContact CB-CB 4.31Å; V373-A437 HydrophobicContact CG1-CB 3.81Å; V373-A437 VanDerWaalsContact CG1-O 3.27Å; V373-A437 WeakPolarHBondContact CG1-O 3.49Å; Q374-A437 HydrophobicContact CG-CB 3.6Å; E433-A437 PolarHBondContact O-N 3.19Å; Y434-A437 WeakPolarHBondContact O-CB 3.48Å; Y434-A437 PolarHBondContact O-N 2.93Å; A437-C439 PolarHBondContact O-N 3.23Å; A437-S440 VanDerWaalsContact O-CB 3.31Å; A437-S440 WeakPolarHBondContact O-CB 3.16Å; A437-S440 PolarHBondContact O-N 3.2Å; A437-S440 VanDerWaalsContact O-N 3.14Å; A437-L441 PolarHBondContact O-N 2.93Å
438A97.4Very high93.7Very high0 Ų018.5 Ų18.50%011%0.106CC..Hα-helixtrans-61.6-42.3177.200000111.7F408 Y434 S440 L441 L442 F480F408-A438 HydrophobicContact CD2-CB 3.83Å; F408-A438 HydrophobicContact CE2-CB 4.37Å; Y434-A438 HydrophobicContact CE1-CB 4.31Å; Y434-A438 WeakPolarHBondContact O-CB 3.43Å; Y434-A438 PolarHBondContact O-N 2.99Å; A438-S440 VanDerWaalsContact C-N 3.32Å; A438-S440 PolarHBondContact O-N 3.35Å; A438-L441 PolarHBondContact O-N 2.8Å; A438-L442 WeakPolarHBondContact O-CB 3.35Å; A438-L442 PolarHBondContact O-N 2.72Å; A438-F480 HydrophobicContact CB-CE2 3.97Å; A438-F480 HydrophobicContact CB-CZ 4.26Å
439C97.3Very high93.6Very high0 Ų014.7 Ų14.70%09%0.089CC..Hα-helixtrans-60.3-43.5173.1-173.80000111.6L435 D436 A437 L442 S443 F480 R511L435-C439 WeakPolarHBondContact O-CB 3.39Å; L435-C439 PolarHBondContact O-N 3.42Å; D436-C439 PolarHBondContact O-N 2.81Å; A437-C439 PolarHBondContact O-N 3.23Å; C439-L442 PolarHBondContact O-N 2.85Å; C439-S443 WeakPolarHBondContact O-CB 3.49Å; C439-S443 PolarHBondContact O-N 2.8Å; C439-F480 HydrophobicContact CB-CZ 4.41Å; C439-R511 VanDerWaalsContact SG-CG 3.57Å
440S96.1Very high93.1Very high23 Ų2314 Ų1416%0.1617%0.074CC..Hα-helixtrans-59.8-47.9177.2-60.60000111.7D436 A437 A438 S443 E444 Q510D436-S440 PolarHBondContact O-N 2.9Å; D436-S440 PolarHBondContact O-OG 2.82Å; A437-S440 VanDerWaalsContact O-CB 3.31Å; A437-S440 WeakPolarHBondContact O-CB 3.16Å; A437-S440 PolarHBondContact O-N 3.2Å; A437-S440 VanDerWaalsContact O-N 3.14Å; A438-S440 VanDerWaalsContact C-N 3.32Å; A438-S440 PolarHBondContact O-N 3.35Å; S440-S443 WeakPolarHBondContact O-CB 3.17Å; S440-S443 PolarHBondContact O-N 2.87Å; S440-E444 PolarHBondContact O-N 2.89Å; S440-Q510 PolarHBondContact OG-OE1 2.98Å; S440-Q510 VanDerWaalsContact OG-OE1 3.1Å
441L97.2Very high92.2Very high0 Ų014.1 Ų14.10%07%0.073CC..Hα-helixtrans-64.5-44.9177.8178.158.8000112V373 L376 A377 F380 L404 F408 A437 A438 S443 E444 L445V373-L441 HydrophobicContact CB-CD2 4.48Å; V373-L441 HydrophobicContact CG1-CB 3.81Å; V373-L441 HydrophobicContact CG1-CD2 3.91Å; V373-L441 HydrophobicContact CG2-CD2 4.47Å; L376-L441 HydrophobicContact CB-CD1 3.89Å; L376-L441 HydrophobicContact CB-CD2 4.13Å; L376-L441 HydrophobicContact CD1-CD2 4.2Å; A377-L441 HydrophobicContact CB-CB 4.33Å; A377-L441 HydrophobicContact CB-CD1 4.4Å; F380-L441 HydrophobicContact CD2-CD1 3.76Å; F380-L441 HydrophobicContact CE2-CD1 4.01Å; L404-L441 HydrophobicContact CD1-CD2 4.18Å; L404-L441 HydrophobicContact CD2-CD2 4.5Å; F408-L441 HydrophobicContact CD1-CD2 3.81Å; F408-L441 HydrophobicContact CE1-CD2 4Å; F408-L441 HydrophobicContact CE1-CG 4.25Å; F408-L441 HydrophobicContact CG-CD2 4.28Å; A437-L441 PolarHBondContact O-N 2.93Å; A438-L441 PolarHBondContact O-N 2.8Å; L441-S443 VanDerWaalsContact C-N 3.25Å; L441-S443 PolarHBondContact O-N 2.89Å; L441-E444 PolarHBondContact O-N 3.41Å; L441-E444 VanDerWaalsContact O-N 3.12Å; L441-L445 HydrophobicContact CD1-CG 4.49Å; L441-L445 HydrophobicContact CG-CD1 4.27Å; L441-L445 PolarHBondContact O-N 2.93Å
442L97Very high91.2Very high1 Ų114.3 Ų14.31%0.0058%0.075CC..Hα-helixtrans-61-36.7176.5-176.356.6000111.6L405 F408 I409 A438 C439 E444 L445 L446 I467 L471 F480 L514L405-L442 HydrophobicContact CD2-CD1 3.96Å; F408-L442 HydrophobicContact CE2-CB 3.94Å; F408-L442 HydrophobicContact CZ-CB 3.89Å; F408-L442 HydrophobicContact CZ-CD1 4.11Å; F408-L442 HydrophobicContact CZ-CG 4.5Å; I409-L442 HydrophobicContact CD1-CD2 4.45Å; A438-L442 WeakPolarHBondContact O-CB 3.35Å; A438-L442 PolarHBondContact O-N 2.72Å; C439-L442 PolarHBondContact O-N 2.85Å; L442-E444 VanDerWaalsContact C-N 3.34Å; L442-E444 PolarHBondContact O-N 2.97Å; L442-L445 PolarHBondContact O-N 2.9Å; L442-L446 HydrophobicContact CD1-CG 4.39Å; L442-L446 HydrophobicContact CG-CD1 4.29Å; L442-L446 HydrophobicContact CG-CG 4.44Å; L442-L446 WeakPolarHBondContact O-CB 3.49Å; L442-L446 VanDerWaalsContact O-CG 3.24Å; L442-L446 WeakPolarHBondContact O-CG 3.49Å; L442-L446 PolarHBondContact O-N 3.27Å; L442-I467 HydrophobicContact CD1-CG2 4.17Å; L442-L471 HydrophobicContact CD1-CD1 3.97Å; L442-L471 HydrophobicContact CD2-CD1 4.38Å; L442-F480 HydrophobicContact CD2-CE1 3.98Å; L442-L514 HydrophobicContact CD2-CD1 3.46Å; L442-L514 VanDerWaalsContact CD2-CD1 3.46Å; L442-L514 HydrophobicContact CD2-CD2 4.13Å; L442-L514 HydrophobicContact CD2-CG 4.45Å; L442-L514 HydrophobicContact CG-CD1 4Å
443S94.4Very high89.9Confident2 Ų219.3 Ų19.31%0.0149%0.088CC..Hα-helixtrans-61.9-40174.7-155.20000112.5C439 S440 L441 L446 L447 Q510C439-S443 WeakPolarHBondContact O-CB 3.49Å; C439-S443 PolarHBondContact O-N 2.8Å; S440-S443 WeakPolarHBondContact O-CB 3.17Å; S440-S443 PolarHBondContact O-N 2.87Å; L441-S443 VanDerWaalsContact C-N 3.25Å; L441-S443 PolarHBondContact O-N 2.89Å; S443-L446 PolarHBondContact O-N 3.27Å; S443-L447 PolarHBondContact O-N 3.11Å; S443-Q510 PolarHBondContact OG-O 3.42Å
444E93Very high88.3Confident7 Ų719.7 Ų19.73%0.0339%0.086CC..Hα-helixtrans-68.3-38.8175-62.6-66170.600111.6F380 R381 S440 L441 L442 L447 L448F380-E444 HydrophobicContact CB-CB 4Å; R381-E444 IonicContact CZ-OE1 3.85Å; R381-E444 VanDerWaalsContact CZ-OE1 3.3Å; R381-E444 IonicContact NE-OE1 2.9Å; R381-E444 PolarHBondContact NE-OE1 3.08Å; R381-E444 IonicContact NH2-OE1 3.36Å; R381-E444 PolarHBondContact NH2-OE1 3.34Å; S440-E444 PolarHBondContact O-N 2.89Å; L441-E444 PolarHBondContact O-N 3.41Å; L441-E444 VanDerWaalsContact O-N 3.12Å; L442-E444 VanDerWaalsContact C-N 3.34Å; L442-E444 PolarHBondContact O-N 2.97Å; E444-L447 WeakPolarHBondContact O-CB 3.14Å; E444-L447 PolarHBondContact O-N 2.68Å; E444-L448 PolarHBondContact O-N 2.91Å
445L93.9Very high86.5Confident0 Ų021.8 Ų21.80%010%0.1CC..Hα-helixtrans-67-38.4174.5-69.1171.7000112.1F380 L404 L405 F408 L441 L442 L447 L448 G449 I467F380-L445 HydrophobicContact CD1-CD2 4.37Å; F380-L445 HydrophobicContact CE1-CD2 3.69Å; F380-L445 HydrophobicContact CE2-CD2 4.12Å; F380-L445 HydrophobicContact CZ-CD2 3.57Å; L404-L445 HydrophobicContact CD2-CD1 4.29Å; L405-L445 HydrophobicContact CD2-CD1 3.64Å; L405-L445 HydrophobicContact CG-CD1 4.34Å; F408-L445 HydrophobicContact CE1-CD1 3.67Å; F408-L445 HydrophobicContact CZ-CD1 4.01Å; L441-L445 HydrophobicContact CD1-CG 4.49Å; L441-L445 HydrophobicContact CG-CD1 4.27Å; L441-L445 PolarHBondContact O-N 2.93Å; L442-L445 PolarHBondContact O-N 2.9Å; L445-L447 VanDerWaalsContact C-N 3.3Å; L445-L447 PolarHBondContact O-N 3.12Å; L445-L448 WeakPolarHBondContact O-CB 3.31Å; L445-L448 PolarHBondContact O-N 2.94Å; L445-G449 PolarHBondContact O-N 2.67Å; L445-I467 WeakPolarHBondContact O-CD1 3.42Å
446L92.4Very high84.7Confident3 Ų323.8 Ų23.82%0.01611%0.109CC..Hα-helixtrans-63.9-37.3173-70.9170.9000111.3L442 S443 G449 Y450 V464 I467 L468 L514 A517L442-L446 HydrophobicContact CD1-CG 4.39Å; L442-L446 HydrophobicContact CG-CD1 4.29Å; L442-L446 HydrophobicContact CG-CG 4.44Å; L442-L446 WeakPolarHBondContact O-CB 3.49Å; L442-L446 VanDerWaalsContact O-CG 3.24Å; L442-L446 WeakPolarHBondContact O-CG 3.49Å; L442-L446 PolarHBondContact O-N 3.27Å; S443-L446 PolarHBondContact O-N 3.27Å; L446-G449 WeakPolarHBondContact O-CA 3.33Å; L446-G449 PolarHBondContact O-N 3.15Å; L446-G449 VanDerWaalsContact O-N 3.09Å; L446-Y450 WeakPolarHBondContact O-CD2 3.49Å; L446-Y450 PolarHBondContact O-N 2.87Å; L446-V464 HydrophobicContact CD2-CG1 3.87Å; L446-I467 HydrophobicContact CD2-CG2 4.19Å; L446-L468 HydrophobicContact CD2-CD2 4.4Å; L446-L514 HydrophobicContact CD1-CB 4.39Å; L446-L514 HydrophobicContact CD1-CD1 3.69Å; L446-A517 HydrophobicContact CD1-CB 3.91Å; L446-A517 HydrophobicContact CD2-CB 4.19Å
447L86.1Confident82.6Confident15 Ų1527.4 Ų27.48%0.07913%0.134CC..Hα-helixtrans-59.6-46.6172.9-177.761.7000111.1S443 E444 L445 G449 Y450 E451 R513S443-L447 PolarHBondContact O-N 3.11Å; E444-L447 WeakPolarHBondContact O-CB 3.14Å; E444-L447 PolarHBondContact O-N 2.68Å; L445-L447 VanDerWaalsContact C-N 3.3Å; L445-L447 PolarHBondContact O-N 3.12Å; L447-G449 PolarHBondContact O-N 2.88Å; L447-Y450 PolarHBondContact O-N 2.91Å; L447-Y450 VanDerWaalsContact O-N 3.07Å; L447-E451 WeakPolarHBondContact O-CG 3.49Å; L447-E451 PolarHBondContact O-N 2.89Å; L447-E451 VanDerWaalsContact O-N 3.11Å; L447-R513 VanDerWaalsContact CD1-NH2 3.33Å
448L86.6Confident80.4Confident5 Ų531 Ų313%0.02617%0.171CC..Hα-helixtrans-54.4-41.2171.7174.870.4000111.4F380 L393 F394 I401 E444 L445 Y450 E451 T452 V462F380-L448 HydrophobicContact CE1-CD2 4.42Å; L393-L448 HydrophobicContact CD1-CD1 4.49Å; L393-L448 HydrophobicContact CD1-CD2 3.78Å; F394-L448 HydrophobicContact CZ-CD1 3.99Å; I401-L448 HydrophobicContact CD1-CD2 3.84Å; E444-L448 PolarHBondContact O-N 2.91Å; L445-L448 WeakPolarHBondContact O-CB 3.31Å; L445-L448 PolarHBondContact O-N 2.94Å; L448-Y450 VanDerWaalsContact C-N 3.33Å; L448-Y450 PolarHBondContact O-N 3.39Å; L448-E451 WeakPolarHBondContact O-CB 3.43Å; L448-E451 PolarHBondContact O-N 2.75Å; L448-E451 VanDerWaalsContact O-N 3.16Å; L448-T452 HydrophobicContact CD1-CG2 4.44Å; L448-T452 WeakPolarHBondContact O-CG2 3.38Å; L448-T452 PolarHBondContact O-N 3.32Å; L448-T452 PolarHBondContact O-OG1 3.45Å; L448-V462 HydrophobicContact CD2-CG1 4.17Å
449G85.4Confident78.5Confident0 Ų035.8 Ų35.80%019%0.194CC..Hα-helixtrans-67.6-26.517800000115.5L445 L446 L447 T452 V462L445-G449 PolarHBondContact O-N 2.67Å; L446-G449 WeakPolarHBondContact O-CA 3.33Å; L446-G449 PolarHBondContact O-N 3.15Å; L446-G449 VanDerWaalsContact O-N 3.09Å; L447-G449 PolarHBondContact O-N 2.88Å; G449-T452 WeakPolarHBondContact CA-OG1 3.29Å; G449-T452 PolarHBondContact O-OG1 2.88Å; G449-T452 VanDerWaalsContact O-OG1 3.13Å; G449-V462 WeakPolarHBondContact CA-O 3.33Å
450Y80.2Confident76.5Confident48 Ų4842.3 Ų42.319%0.18823%0.229CC..Hα-helixtrans-75.2-33.7170.7-72.9-69.1000111.7L446 L447 L448 V464 Y521L446-Y450 WeakPolarHBondContact O-CD2 3.49Å; L446-Y450 PolarHBondContact O-N 2.87Å; L447-Y450 PolarHBondContact O-N 2.91Å; L447-Y450 VanDerWaalsContact O-N 3.07Å; L448-Y450 VanDerWaalsContact C-N 3.33Å; L448-Y450 PolarHBondContact O-N 3.39Å; Y450-V464 HydrophobicContact CD1-CG2 3.78Å; Y450-V464 HydrophobicContact CD2-CG2 3.86Å; Y450-V464 HydrophobicContact CE1-CG2 3.76Å; Y450-V464 HydrophobicContact CE2-CG2 3.82Å; Y450-V464 HydrophobicContact CG-CG2 3.83Å; Y450-Y521 AromaticContact CE1-CE2 3.67Å; Y450-Y521 HydrophobicContact CE1-CE2 3.67Å; Y450-Y521 AromaticContact CE1-CZ 3.83Å; Y450-Y521 AromaticContact CZ-CE2 3.92Å; Y450-Y521 WeakPolarHBondContact OH-CE2 3.49Å
451E73.1Confident75.2Confident22 Ų2244.8 Ų44.810%0.10324%0.237CC..Hα-helixtrans-66.4-50.8176-65.9170.317500111.2L254 S258 L447 L448 R453 R454 C455L254-E451 WeakPolarHBondContact CD1-O 3.13Å; S258-E451 VanDerWaalsContact CB-OE1 3.3Å; S258-E451 WeakPolarHBondContact CB-OE1 3.24Å; S258-E451 PolarHBondContact OG-OE1 3.1Å; L447-E451 WeakPolarHBondContact O-CG 3.49Å; L447-E451 PolarHBondContact O-N 2.89Å; L447-E451 VanDerWaalsContact O-N 3.11Å; L448-E451 WeakPolarHBondContact O-CB 3.43Å; L448-E451 PolarHBondContact O-N 2.75Å; L448-E451 VanDerWaalsContact O-N 3.16Å; E451-R453 PolarHBondContact O-N 3.42Å; E451-R454 PolarHBondContact O-N 2.82Å; E451-C455 PolarHBondContact O-N 3.28Å; E451-C455 PolarHBondContact O-SG 3.41Å
452T70.6Confident74.4Confident8 Ų844.9 Ų44.95%0.04924%0.237CC..Hα-helixtrans-61.2-44.7-177.551.20000113.6F394 L448 G449 R454 C455 F456 V462F394-T452 HydrophobicContact CE1-CG2 3.53Å; F394-T452 HydrophobicContact CE2-CG2 4.3Å; F394-T452 HydrophobicContact CZ-CG2 3.29Å; L448-T452 HydrophobicContact CD1-CG2 4.44Å; L448-T452 WeakPolarHBondContact O-CG2 3.38Å; L448-T452 PolarHBondContact O-N 3.32Å; L448-T452 PolarHBondContact O-OG1 3.45Å; G449-T452 WeakPolarHBondContact CA-OG1 3.29Å; G449-T452 PolarHBondContact O-OG1 2.88Å; G449-T452 VanDerWaalsContact O-OG1 3.13Å; T452-R454 PolarHBondContact O-N 3.48Å; T452-R454 VanDerWaalsContact O-N 3.1Å; T452-C455 PolarHBondContact O-N 3.19Å; T452-C455 VanDerWaalsContact O-N 3.15Å; T452-F456 PolarHBondContact O-N 3.26Å; T452-V462 PolarHBondContact OG1-O 2.86Å
453R66.8Low74Confident140 Ų14045.8 Ų45.853%0.52824%0.244SC..Hα-helixtrans-54.7-34.5-177.9-177.8-179.3179.9-162.82.2112.7E451 Y521E451-R453 PolarHBondContact O-N 3.42Å; R453-Y521 PolarHBondContact NH1-OH 3.41Å
454R61.7Low73.9Confident101 Ų10145.8 Ų45.838%0.38124%0.243SC..Hα-helixtrans-91.6-28.1-177.5-67.3-157.7-169.2136.3-6.4112.8L254 E451 T452L254-R454 HydrophobicContact CD1-CB 3.42Å; L254-R454 VanDerWaalsContact CD1-CB 3.42Å; L254-R454 HydrophobicContact CD1-CG 4.43Å; L254-R454 HydrophobicContact CD2-CB 3.85Å; L254-R454 HydrophobicContact CD2-CG 3.95Å; L254-R454 HydrophobicContact CG-CB 3.91Å; L254-R454 HydrophobicContact CG-CG 4.45Å; E451-R454 PolarHBondContact O-N 2.82Å; T452-R454 PolarHBondContact O-N 3.48Å; T452-R454 VanDerWaalsContact O-N 3.1Å
455C56.8Low73.8Confident44 Ų4448.3 Ų48.330%0.29726%0.262SS..Hα-helixtrans-75.5-33.4175.1-65.20000113.1T251 L254 E451 T452 P457T251-C455 HydrophobicContact CG2-CB 4.5Å; T251-C455 WeakPolarHBondContact CG2-SG 3.46Å; L254-C455 WeakPolarHBondContact CD1-SG 3.22Å; E451-C455 PolarHBondContact O-N 3.28Å; E451-C455 PolarHBondContact O-SG 3.41Å; T452-C455 PolarHBondContact O-N 3.19Å; T452-C455 VanDerWaalsContact O-N 3.15Å; C455-P457 VanDerWaalsContact C-CD 3.45Å; C455-P457 WeakPolarHBondContact O-CD 3.01Å
456F58.9Low73.7Confident43 Ų4351 Ų5119%0.18927%0.272CS..SBendtrans-128.363.9-174.2-54.5-79000112L11 T452 G458 E459L11-F456 HydrophobicContact CD2-CZ 4.23Å; T452-F456 PolarHBondContact O-N 3.26Å; F456-G458 PolarHBondContact O-N 3.1Å; F456-G458 VanDerWaalsContact O-N 3.09Å; F456-E459 HydrophobicContact CB-CB 4.26Å; F456-E459 PolarHBondContact O-N 3.21Å
457P52.8Low73.9Confident110 Ų11050.9 Ų50.971%0.71427%0.271SS*.THydrogen-bonded Turntrans-63.5114.4177.725.5-31.5000110.3C455C455-P457 VanDerWaalsContact C-CD 3.45Å; C455-P457 WeakPolarHBondContact O-CD 3.01Å
458G51.4Low74.3Confident79 Ų7950.3 Ų50.381%0.81427%0.269SS*.THydrogen-bonded Turntrans109.1-13.6178.600000114.9F456F456-G458 PolarHBondContact O-N 3.1Å; F456-G458 VanDerWaalsContact O-N 3.09Å
459E56Low74.7Confident101 Ų10151.7 Ų51.747%0.47228%0.284SS..  trans-102.1117170.7-61-172.2167.100109.3F456 F461F456-E459 HydrophobicContact CB-CB 4.26Å; F456-E459 PolarHBondContact O-N 3.21Å; E459-F461 HydrophobicContact CB-CD2 3.48Å; E459-F461 VanDerWaalsContact CB-CD2 3.48Å; E459-F461 HydrophobicContact CB-CE2 3.6Å; E459-F461 HydrophobicContact CG-CD2 4.4Å; E459-F461 HydrophobicContact CG-CE2 4.12Å; E459-F461 PolarHBondContact O-N 2.83Å; E459-F461 WeakPolarHBondContact OE2-CE2 3.39Å
460N55.6Low75.1Confident137 Ų13753 Ų5373%0.73329%0.292SS*.  trans-75.248.7-176.2-75.5-25.2000112.9
461F69.8Low75.8Confident75 Ų7550.7 Ų50.733%0.32928%0.283SS..SBendtrans-97.9117.7-179.5-60.3-55.9000110.9R397 E459 S463R397-F461 HydrophobicContact CB-CE1 4.36Å; R397-F461 HydrophobicContact CG-CE1 4.09Å; E459-F461 HydrophobicContact CB-CD2 3.48Å; E459-F461 VanDerWaalsContact CB-CD2 3.48Å; E459-F461 HydrophobicContact CB-CE2 3.6Å; E459-F461 HydrophobicContact CG-CD2 4.4Å; E459-F461 HydrophobicContact CG-CE2 4.12Å; E459-F461 PolarHBondContact O-N 2.83Å; E459-F461 WeakPolarHBondContact OE2-CE2 3.39Å; F461-S463 PolarHBondContact O-N 2.78Å
462V80.2Confident76.8Confident1 Ų154.3 Ų54.31%0.00630%0.3CS..SBendtrans46.244.1168.2-163.90000113.2F394 I401 L448 G449 T452 W466 I467F394-V462 HydrophobicContact CD1-CB 4.13Å; F394-V462 HydrophobicContact CD1-CG2 3.61Å; F394-V462 HydrophobicContact CE1-CB 3.8Å; F394-V462 HydrophobicContact CE1-CG1 4.32Å; F394-V462 HydrophobicContact CE1-CG2 3.8Å; I401-V462 HydrophobicContact CD1-CG1 3.8Å; I401-V462 HydrophobicContact CD1-CG2 4.2Å; I401-V462 HydrophobicContact CG2-CG1 4.33Å; L448-V462 HydrophobicContact CD2-CG1 4.17Å; G449-V462 WeakPolarHBondContact CA-O 3.33Å; T452-V462 PolarHBondContact OG1-O 2.86Å; V462-W466 HydrophobicContact CB-CE3 4.13Å; V462-W466 HydrophobicContact CB-CZ3 4.2Å; V462-W466 HydrophobicContact CG1-CE3 4.06Å; V462-W466 HydrophobicContact CG1-CZ3 3.9Å; V462-W466 HydrophobicContact CG2-CE3 4.23Å; V462-W466 HydrophobicContact CG2-CH2 4.13Å; V462-W466 HydrophobicContact CG2-CZ3 3.95Å; V462-I467 HydrophobicContact CG1-CD1 4.18Å; V462-I467 HydrophobicContact CG1-CG1 4.12Å
463S89.1Confident77.8Confident21 Ų2159 Ų5915%0.14733%0.331CS..  trans-77.3167.7170.870.70000110.8F461 S465 W466 I467F461-S463 PolarHBondContact O-N 2.78Å; S463-S465 VanDerWaalsContact C-N 3.29Å; S463-S465 PolarHBondContact O-N 3.38Å; S463-W466 WeakPolarHBondContact O-CB 3.33Å; S463-W466 PolarHBondContact O-N 2.87Å; S463-W466 PolarHBondContact OG-N 2.85Å; S463-W466 VanDerWaalsContact OG-N 3.16Å; S463-I467 WeakPolarHBondContact O-CG1 3.29Å; S463-I467 PolarHBondContact O-N 3.33Å
464V91.5Very high78.9Confident1 Ų153.1 Ų53.11%0.00631%0.309CS..Hα-helixtrans-54.3-45.8174177.10000112L446 Y450 W466 I467 L468 A517 Y521L446-V464 HydrophobicContact CD2-CG1 3.87Å; Y450-V464 HydrophobicContact CD1-CG2 3.78Å; Y450-V464 HydrophobicContact CD2-CG2 3.86Å; Y450-V464 HydrophobicContact CE1-CG2 3.76Å; Y450-V464 HydrophobicContact CE2-CG2 3.82Å; Y450-V464 HydrophobicContact CG-CG2 3.83Å; V464-W466 VanDerWaalsContact C-N 3.32Å; V464-W466 PolarHBondContact O-N 3Å; V464-I467 PolarHBondContact O-N 3.07Å; V464-L468 HydrophobicContact CG1-CD1 4.29Å; V464-L468 WeakPolarHBondContact O-CG 3.4Å; V464-L468 PolarHBondContact O-N 2.9Å; V464-A517 HydrophobicContact CG1-CB 4.15Å; V464-Y521 HydrophobicContact CB-CD1 4.29Å; V464-Y521 HydrophobicContact CB-CD2 4.26Å; V464-Y521 HydrophobicContact CB-CG 4.12Å; V464-Y521 HydrophobicContact CG1-CD1 4.23Å; V464-Y521 HydrophobicContact CG1-CD2 3.51Å; V464-Y521 HydrophobicContact CG1-CE2 4.17Å; V464-Y521 HydrophobicContact CG1-CG 3.57Å
465S91.2Very high80.2Confident61 Ų6153 Ų5343%0.42732%0.321SS..Hα-helixtrans-64.3-36.1176.7-61.90000112.6S463 G469 Y521S463-S465 VanDerWaalsContact C-N 3.29Å; S463-S465 PolarHBondContact O-N 3.38Å; S465-G469 PolarHBondContact O-N 3.38Å; S465-Y521 WeakPolarHBondContact OG-CD1 3.43Å
466W92.4Very high81.8Confident56 Ų5652.5 Ų52.521%0.21231%0.314CS..Hα-helixtrans-66.1-45.2174.6179.194.1000111.6I401 S402 L405 V462 S463 V464 L468 G469 V470I401-W466 HydrophobicContact CB-CH2 4.4Å; I401-W466 HydrophobicContact CG2-CH2 4.17Å; I401-W466 HydrophobicContact CG2-CZ3 3.83Å; S402-W466 WeakPolarHBondContact OG-CH2 3.22Å; S402-W466 VanDerWaalsContact OG-CZ2 3.26Å; S402-W466 WeakPolarHBondContact OG-CZ2 3.3Å; L405-W466 HydrophobicContact CD1-CZ3 4.04Å; V462-W466 HydrophobicContact CB-CE3 4.13Å; V462-W466 HydrophobicContact CB-CZ3 4.2Å; V462-W466 HydrophobicContact CG1-CE3 4.06Å; V462-W466 HydrophobicContact CG1-CZ3 3.9Å; V462-W466 HydrophobicContact CG2-CE3 4.23Å; V462-W466 HydrophobicContact CG2-CH2 4.13Å; V462-W466 HydrophobicContact CG2-CZ3 3.95Å; S463-W466 WeakPolarHBondContact O-CB 3.33Å; S463-W466 PolarHBondContact O-N 2.87Å; S463-W466 PolarHBondContact OG-N 2.85Å; S463-W466 VanDerWaalsContact OG-N 3.16Å; V464-W466 VanDerWaalsContact C-N 3.32Å; V464-W466 PolarHBondContact O-N 3Å; W466-L468 VanDerWaalsContact C-N 3.34Å; W466-L468 PolarHBondContact O-N 3.35Å; W466-G469 CarbonylContact O-C 3.58Å; W466-G469 WeakPolarHBondContact O-CA 3.37Å; W466-G469 PolarHBondContact O-N 2.94Å; W466-G469 VanDerWaalsContact O-N 3.1Å; W466-V470 HydrophobicContact CD2-CG2 3.84Å; W466-V470 HydrophobicContact CE3-CG2 3.95Å; W466-V470 HydrophobicContact CH2-CG2 3.84Å; W466-V470 HydrophobicContact CZ2-CG2 3.67Å; W466-V470 HydrophobicContact CZ3-CG2 3.95Å; W466-V470 WeakPolarHBondContact O-CG2 3.23Å; W466-V470 PolarHBondContact O-N 3.34Å
467I95.1Very high83.5Confident0 Ų050.8 Ų50.80%031%0.307CS..Hα-helixtrans-58-49.2178.5-69.6170.6000109.9L405 L442 L445 L446 V462 S463 V464 G469 V470 L471L405-I467 HydrophobicContact CD1-CB 4.38Å; L405-I467 HydrophobicContact CD1-CG1 4.38Å; L405-I467 HydrophobicContact CD1-CG2 3.95Å; L405-I467 HydrophobicContact CD2-CG2 3.8Å; L442-I467 HydrophobicContact CD1-CG2 4.17Å; L445-I467 WeakPolarHBondContact O-CD1 3.42Å; L446-I467 HydrophobicContact CD2-CG2 4.19Å; V462-I467 HydrophobicContact CG1-CD1 4.18Å; V462-I467 HydrophobicContact CG1-CG1 4.12Å; S463-I467 WeakPolarHBondContact O-CG1 3.29Å; S463-I467 PolarHBondContact O-N 3.33Å; V464-I467 PolarHBondContact O-N 3.07Å; I467-G469 VanDerWaalsContact C-N 3.31Å; I467-G469 PolarHBondContact O-N 2.67Å; I467-V470 PolarHBondContact O-N 3.08Å; I467-L471 WeakPolarHBondContact O-CG 3.21Å; I467-L471 PolarHBondContact O-N 3.36Å
468L95.2Very high85.4Confident4 Ų448.1 Ų48.12%0.02129%0.286CS..Hα-helixtrans-66.2-33.8177.3-63.7-179.6000112.2L446 V464 W466 L471 Q472 L525L446-L468 HydrophobicContact CD2-CD2 4.4Å; V464-L468 HydrophobicContact CG1-CD1 4.29Å; V464-L468 WeakPolarHBondContact O-CG 3.4Å; V464-L468 PolarHBondContact O-N 2.9Å; W466-L468 VanDerWaalsContact C-N 3.34Å; W466-L468 PolarHBondContact O-N 3.35Å; L468-L471 PolarHBondContact O-N 3.09Å; L468-Q472 PolarHBondContact O-N 3.41Å; L468-L525 HydrophobicContact CD2-CD1 4.26Å
469G94Very high87.4Confident34 Ų3445.9 Ų45.935%0.35126%0.257SS..Hα-helixtrans-66.5-39.4175.200000113.4S465 W466 I467 L471 Q472 P473S465-G469 PolarHBondContact O-N 3.38Å; W466-G469 CarbonylContact O-C 3.58Å; W466-G469 WeakPolarHBondContact O-CA 3.37Å; W466-G469 PolarHBondContact O-N 2.94Å; W466-G469 VanDerWaalsContact O-N 3.1Å; I467-G469 VanDerWaalsContact C-N 3.31Å; I467-G469 PolarHBondContact O-N 2.67Å; G469-L471 VanDerWaalsContact C-N 3.29Å; G469-L471 PolarHBondContact O-N 3.26Å; G469-Q472 WeakPolarHBondContact O-CB 3.4Å; G469-Q472 PolarHBondContact O-N 3Å; G469-P473 WeakPolarHBondContact O-CD 3.47Å
470V94.4Very high89.2Confident26 Ų2641 Ų4116%0.15824%0.235CC..Hα-helixtrans-62-39.6173.41690000111.1L405 L406 W466 I467 P473L405-V470 HydrophobicContact CB-CG1 4.23Å; L405-V470 HydrophobicContact CD1-CB 4.21Å; L405-V470 HydrophobicContact CD1-CG1 4.03Å; L406-V470 HydrophobicContact CD2-CG1 4.49Å; L406-V470 HydrophobicContact CG-CG1 4.3Å; W466-V470 HydrophobicContact CD2-CG2 3.84Å; W466-V470 HydrophobicContact CE3-CG2 3.95Å; W466-V470 HydrophobicContact CH2-CG2 3.84Å; W466-V470 HydrophobicContact CZ2-CG2 3.67Å; W466-V470 HydrophobicContact CZ3-CG2 3.95Å; W466-V470 WeakPolarHBondContact O-CG2 3.23Å; W466-V470 PolarHBondContact O-N 3.34Å; I467-V470 PolarHBondContact O-N 3.08Å; V470-P473 WeakPolarHBondContact O-CD 3.47Å
471L95.1Very high91.2Very high0 Ų034.6 Ų34.60%020%0.2CC..Hα-helixtrans-76.6-23.3179.2-69.4178.4000113.4L405 I409 L442 I467 L468 G469 P473 H474 L477L405-L471 HydrophobicContact CB-CD2 3.79Å; L405-L471 HydrophobicContact CB-CG 4.35Å; L405-L471 HydrophobicContact CD2-CD1 4.24Å; L405-L471 HydrophobicContact CD2-CD2 4.41Å; L405-L471 HydrophobicContact CD2-CG 4.38Å; L405-L471 WeakPolarHBondContact O-CD2 3.43Å; I409-L471 HydrophobicContact CG1-CD2 3.76Å; L442-L471 HydrophobicContact CD1-CD1 3.97Å; L442-L471 HydrophobicContact CD2-CD1 4.38Å; I467-L471 WeakPolarHBondContact O-CG 3.21Å; I467-L471 PolarHBondContact O-N 3.36Å; L468-L471 PolarHBondContact O-N 3.09Å; G469-L471 VanDerWaalsContact C-N 3.29Å; G469-L471 PolarHBondContact O-N 3.26Å; L471-P473 VanDerWaalsContact C-CD 3.48Å; L471-H474 WeakPolarHBondContact O-CB 3.48Å; L471-H474 PolarHBondContact O-N 3.26Å; L471-L477 HydrophobicContact CB-CD1 4.1Å; L471-L477 HydrophobicContact CB-CD2 4.03Å; L471-L477 HydrophobicContact CD1-CD1 4.37Å; L471-L477 WeakPolarHBondContact O-CD2 3.46Å
472Q93.5Very high92.4Very high99 Ų9935.3 Ų35.346%0.46320%0.201SC..THydrogen-bonded Turntrans-50.6-44.2-173.4-169.2177.91.300115.2L468 G469 H474L468-Q472 PolarHBondContact O-N 3.41Å; G469-Q472 WeakPolarHBondContact O-CB 3.4Å; G469-Q472 PolarHBondContact O-N 3Å; Q472-H474 PolarHBondContact O-N 2.89Å
473P91.3Very high93.1Very high107 Ų10736 Ų3670%0.69520%0.204SC*.THydrogen-bonded Turntrans-73.8-9.4177.429.9-37000113.9G469 V470 L471G469-P473 WeakPolarHBondContact O-CD 3.47Å; V470-P473 WeakPolarHBondContact O-CD 3.47Å; L471-P473 VanDerWaalsContact C-CD 3.48Å
474H90.8Very high93.5Very high16 Ų1635 Ų357%0.07420%0.197CC..  trans-69.9125-175.3-166.4-82.9000111L406 I409 L471 Q472 H476 L477L406-H474 HydrophobicContact CD2-CB 4.28Å; L406-H474 PolarHBondContact O-NE2 3.08Å; I409-H474 PolarHBondContact O-CE1 3.42Å; L471-H474 WeakPolarHBondContact O-CB 3.48Å; L471-H474 PolarHBondContact O-N 3.26Å; Q472-H474 PolarHBondContact O-N 2.89Å; H474-H476 AromaticContact CE1-CD2 3.77Å; H474-H476 PolarHBondContact ND1-N 3.16Å; H474-H476 PolarHBondContact O-N 3.2Å; H474-H476 VanDerWaalsContact O-N 3.13Å; H474-L477 HydrophobicContact CB-CB 4.4Å; H474-L477 WeakPolarHBondContact O-CB 3.45Å; H474-L477 PolarHBondContact O-N 3.36Å; H474-L477 VanDerWaalsContact O-N 3.08Å
475P88.9Confident93.7Very high97 Ų9734.9 Ų34.963%0.6320%0.197SC*.THydrogen-bonded Turntrans-61.6-30.3-171.823.5-34.1000113.2
476H90.6Very high93.9Very high34 Ų3436.1 Ų36.116%0.15720%0.196CC..THydrogen-bonded Turntrans-92.92.3-178.3-54.7-57.4000114.6I409 D411 H474 L478 P479 F480I409-H476 HydrophobicContact CG2-CB 4.24Å; D411-H476 WeakPolarHBondContact CB-ND1 3.46Å; D411-H476 IonicContact OD2-CE1 3.61Å; D411-H476 IonicContact OD2-ND1 3.69Å; H474-H476 AromaticContact CE1-CD2 3.77Å; H474-H476 PolarHBondContact ND1-N 3.16Å; H474-H476 PolarHBondContact O-N 3.2Å; H474-H476 VanDerWaalsContact O-N 3.13Å; H476-L478 PolarHBondContact O-N 3.1Å; H476-P479 WeakPolarHBondContact O-CD 3.33Å; H476-F480 WeakPolarHBondContact O-CB 3.35Å; H476-F480 PolarHBondContact O-N 3.26Å
477L93.8Very high94.1Very high7 Ų735.7 Ų35.74%0.03720%0.196CC..Hα-helixtrans-59.8-50.6179.7175.262.4000112L471 H474 F480 I481 L525L471-L477 HydrophobicContact CB-CD1 4.1Å; L471-L477 HydrophobicContact CB-CD2 4.03Å; L471-L477 HydrophobicContact CD1-CD1 4.37Å; L471-L477 WeakPolarHBondContact O-CD2 3.46Å; H474-L477 HydrophobicContact CB-CB 4.4Å; H474-L477 WeakPolarHBondContact O-CB 3.45Å; H474-L477 PolarHBondContact O-N 3.36Å; H474-L477 VanDerWaalsContact O-N 3.08Å; L477-F480 PolarHBondContact O-N 3.13Å; L477-I481 HydrophobicContact CD1-CD1 4.4Å; L477-I481 HydrophobicContact CD1-CG1 3.91Å; L477-I481 HydrophobicContact CG-CG1 4.47Å; L477-I481 WeakPolarHBondContact O-CG1 3.35Å; L477-I481 PolarHBondContact O-N 3.39Å; L477-L525 HydrophobicContact CD2-CD1 4.33Å; L477-L525 HydrophobicContact CD2-CD2 4.07Å; L477-L525 HydrophobicContact CG-CD2 4.17Å
478L93.6Very high94.1Very high54 Ų5435.7 Ų35.728%0.28320%0.196SC..Hα-helixtrans-63.5-49.3-179.6-74.2174.3000112.3H476 F480 I481 R482 L525 H528H476-L478 PolarHBondContact O-N 3.1Å; L478-F480 VanDerWaalsContact C-N 3.32Å; L478-F480 PolarHBondContact O-N 3.32Å; L478-I481 PolarHBondContact O-N 3.46Å; L478-R482 WeakPolarHBondContact O-CB 3.41Å; L478-R482 PolarHBondContact O-N 2.93Å; L478-L525 HydrophobicContact CD2-CD2 3.7Å; L478-H528 HydrophobicContact CD2-CB 3.96Å
479P93.3Very high94Very high32 Ų3236.4 Ų36.421%0.20820%0.2CC..Hα-helixtrans-52-46.7170.7-29.635.3000113.5P412 H476 R482 H483P412-P479 HydrophobicContact CG-CB 3.76Å; P412-P479 WeakPolarHBondContact CG-O 3.47Å; H476-P479 WeakPolarHBondContact O-CD 3.33Å; P479-R482 WeakPolarHBondContact O-CB 3.45Å; P479-R482 PolarHBondContact O-N 3.5Å; P479-H483 PolarHBondContact O-N 2.59Å
480F94.9Very high94Very high0 Ų039.8 Ų39.80%021%0.21CC..Hα-helixtrans-59.5-51179.1177.3-94000111.7I409 L435 A438 C439 L442 H476 L477 L478 R482 H483 Q484 L514I409-F480 HydrophobicContact CD1-CD1 3.96Å; I409-F480 HydrophobicContact CD1-CD2 4.35Å; I409-F480 HydrophobicContact CD1-CE1 3.93Å; I409-F480 HydrophobicContact CD1-CE2 4.34Å; I409-F480 HydrophobicContact CD1-CG 4.18Å; I409-F480 HydrophobicContact CD1-CZ 4.13Å; I409-F480 HydrophobicContact CG2-CB 4.15Å; I409-F480 HydrophobicContact CG2-CG 4.36Å; L435-F480 HydrophobicContact CD2-CD2 3.64Å; L435-F480 HydrophobicContact CD2-CE2 3.87Å; A438-F480 HydrophobicContact CB-CE2 3.97Å; A438-F480 HydrophobicContact CB-CZ 4.26Å; C439-F480 HydrophobicContact CB-CZ 4.41Å; L442-F480 HydrophobicContact CD2-CE1 3.98Å; H476-F480 WeakPolarHBondContact O-CB 3.35Å; H476-F480 PolarHBondContact O-N 3.26Å; L477-F480 PolarHBondContact O-N 3.13Å; L478-F480 VanDerWaalsContact C-N 3.32Å; L478-F480 PolarHBondContact O-N 3.32Å; F480-R482 VanDerWaalsContact C-N 3.32Å; F480-R482 PolarHBondContact O-N 3.04Å; F480-H483 WeakPolarHBondContact O-CB 3.38Å; F480-H483 PolarHBondContact O-N 2.74Å; F480-H483 VanDerWaalsContact O-N 3.16Å; F480-Q484 HydrophobicContact CD1-CG 4.35Å; F480-Q484 HydrophobicContact CE1-CG 3.98Å; F480-Q484 HydrophobicContact CZ-CG 4.11Å; F480-Q484 WeakPolarHBondContact O-CG 3.42Å; F480-Q484 PolarHBondContact O-N 2.94Å; F480-L514 HydrophobicContact CE1-CD2 4.01Å
481I96.6Very high93.9Very high1 Ų140.2 Ų40.21%0.00521%0.212CC..Hα-helixtrans-62.5-40178.7-65.3-58.2000111.5L477 L478 H483 Q484 A485 L514 L515 L525 L529L477-I481 HydrophobicContact CD1-CD1 4.4Å; L477-I481 HydrophobicContact CD1-CG1 3.91Å; L477-I481 HydrophobicContact CG-CG1 4.47Å; L477-I481 WeakPolarHBondContact O-CG1 3.35Å; L477-I481 PolarHBondContact O-N 3.39Å; L478-I481 PolarHBondContact O-N 3.46Å; I481-H483 VanDerWaalsContact C-N 3.35Å; I481-H483 PolarHBondContact O-N 3.19Å; I481-Q484 PolarHBondContact O-N 3.34Å; I481-A485 PolarHBondContact O-N 3.29Å; I481-L514 HydrophobicContact CD1-CD1 4.04Å; I481-L514 HydrophobicContact CD1-CD2 4.1Å; I481-L514 HydrophobicContact CD1-CG 4.16Å; I481-L515 HydrophobicContact CG2-CD2 4.19Å; I481-L525 HydrophobicContact CG1-CD2 4.27Å; I481-L529 HydrophobicContact CG2-CD1 4.39Å; I481-L529 HydrophobicContact CG2-CD2 3.96Å; I481-L529 HydrophobicContact CG2-CG 4.29Å
482R95.4Very high93.8Very high90 Ų9040.5 Ų40.534%0.3421%0.214SC..Hα-helixtrans-58.9-46.4173.8-179.2-172.8-73.3147.1-11.2111.2L478 P479 F480 Q484 A485 Q486 H528 F533L478-R482 WeakPolarHBondContact O-CB 3.41Å; L478-R482 PolarHBondContact O-N 2.93Å; P479-R482 WeakPolarHBondContact O-CB 3.45Å; P479-R482 PolarHBondContact O-N 3.5Å; F480-R482 VanDerWaalsContact C-N 3.32Å; F480-R482 PolarHBondContact O-N 3.04Å; R482-Q484 VanDerWaalsContact C-N 3.34Å; R482-Q484 PolarHBondContact O-N 3.04Å; R482-A485 PolarHBondContact O-N 3.45Å; R482-Q486 HydrophobicContact CG-CG 4.5Å; R482-Q486 WeakPolarHBondContact O-CG 3.22Å; R482-Q486 PolarHBondContact O-N 3.33Å; R482-H528 PolarHBondContact NH2-CE1 2.92Å; R482-F533 HydrophobicContact CB-CE2 4.38Å; R482-F533 HydrophobicContact CB-CZ 4.36Å; R482-F533 HydrophobicContact CG-CE2 3.94Å; R482-F533 HydrophobicContact CG-CZ 3.65Å; R482-F533 WeakPolarHBondContact O-CZ 3.43Å
483H95.5Very high93.5Very high15 Ų1537.8 Ų37.87%0.06921%0.206CC..Hα-helixtrans-59-45.5176.8175.292000111.2P412 P479 F480 I481 A485 Q486 Q487P412-H483 HydrophobicContact CB-CB 3.78Å; P412-H483 HydrophobicContact CG-CB 3.92Å; P479-H483 PolarHBondContact O-N 2.59Å; F480-H483 WeakPolarHBondContact O-CB 3.38Å; F480-H483 PolarHBondContact O-N 2.74Å; F480-H483 VanDerWaalsContact O-N 3.16Å; I481-H483 VanDerWaalsContact C-N 3.35Å; I481-H483 PolarHBondContact O-N 3.19Å; H483-A485 VanDerWaalsContact C-N 3.34Å; H483-A485 PolarHBondContact O-N 2.82Å; H483-Q486 PolarHBondContact O-N 3.22Å; H483-Q487 WeakPolarHBondContact O-CG 3.2Å; H483-Q487 PolarHBondContact O-N 3.4Å
484Q96.6Very high93.1Very high0 Ų035 Ų350%019%0.185CC..Hα-helixtrans-63-38.5178.5-59.8-52.8-30.500112.8L435 F480 I481 R482 L488 L514L435-Q484 PolarHBondContact O-NE2 3.41Å; F480-Q484 HydrophobicContact CD1-CG 4.35Å; F480-Q484 HydrophobicContact CE1-CG 3.98Å; F480-Q484 HydrophobicContact CZ-CG 4.11Å; F480-Q484 WeakPolarHBondContact O-CG 3.42Å; F480-Q484 PolarHBondContact O-N 2.94Å; I481-Q484 PolarHBondContact O-N 3.34Å; R482-Q484 VanDerWaalsContact C-N 3.34Å; R482-Q484 PolarHBondContact O-N 3.04Å; Q484-L488 PolarHBondContact O-N 3.07Å; Q484-L488 VanDerWaalsContact O-N 3.13Å; Q484-L514 HydrophobicContact CB-CD2 4.36Å; Q484-L514 HydrophobicContact CG-CD2 3.96Å
485A96.6Very high92.1Very high0 Ų043.2 Ų43.20%022%0.223CC..Hα-helixtrans-66.7-42.6174.300000112.1I481 R482 H483 L488 V489 L515 L529 F533I481-A485 PolarHBondContact O-N 3.29Å; R482-A485 PolarHBondContact O-N 3.45Å; H483-A485 VanDerWaalsContact C-N 3.34Å; H483-A485 PolarHBondContact O-N 2.82Å; A485-L488 PolarHBondContact O-N 2.82Å; A485-V489 WeakPolarHBondContact O-CG2 3.34Å; A485-V489 PolarHBondContact O-N 3.14Å; A485-L515 HydrophobicContact CB-CD1 4.15Å; A485-L515 HydrophobicContact CB-CD2 4.23Å; A485-L529 HydrophobicContact CB-CD2 3.87Å; A485-F533 HydrophobicContact CB-CD1 4Å; A485-F533 HydrophobicContact CB-CD2 4.14Å; A485-F533 HydrophobicContact CB-CE1 3.66Å; A485-F533 HydrophobicContact CB-CE2 3.82Å; A485-F533 HydrophobicContact CB-CG 4.21Å; A485-F533 HydrophobicContact CB-CZ 3.56Å
486Q95.3Very high91.2Very high87 Ų8745.3 Ų45.341%0.40723%0.229SC..Hα-helixtrans-60.2-46.2175.1-74.4171.6-22.400111.8R482 H483 L488 V489 L490 F533R482-Q486 HydrophobicContact CG-CG 4.5Å; R482-Q486 WeakPolarHBondContact O-CG 3.22Å; R482-Q486 PolarHBondContact O-N 3.33Å; H483-Q486 PolarHBondContact O-N 3.22Å; Q486-L488 VanDerWaalsContact C-N 3.31Å; Q486-L488 PolarHBondContact O-N 3.2Å; Q486-V489 PolarHBondContact O-N 2.93Å; Q486-L490 WeakPolarHBondContact O-CB 3.35Å; Q486-L490 VanDerWaalsContact O-CG 3.25Å; Q486-L490 WeakPolarHBondContact O-CG 3.31Å; Q486-L490 PolarHBondContact O-N 2.96Å; Q486-F533 HydrophobicContact CG-CE1 3.68Å; Q486-F533 HydrophobicContact CG-CZ 3.82Å
487Q94.8Very high90.1Very high47 Ų4746.6 Ų46.622%0.2225%0.252CS..Hα-helixtrans-62.3-38.5178-68.7-55.5-41.500112.2H483 V491H483-Q487 WeakPolarHBondContact O-CG 3.2Å; H483-Q487 PolarHBondContact O-N 3.4Å; Q487-V491 WeakPolarHBondContact O-CB 3.06Å; Q487-V491 VanDerWaalsContact O-CG2 3.22Å; Q487-V491 WeakPolarHBondContact O-CG2 3.49Å; Q487-V491 PolarHBondContact O-N 3.01Å
488L95.3Very high89.6Confident0 Ų049.1 Ų49.10%027%0.27CS..Hα-helixtrans-62.7-47.2174-179154.4000111.5Q484 A485 Q486 V491 L492 L508 C512 L515 F537 V541Q484-L488 PolarHBondContact O-N 3.07Å; Q484-L488 VanDerWaalsContact O-N 3.13Å; A485-L488 PolarHBondContact O-N 2.82Å; Q486-L488 VanDerWaalsContact C-N 3.31Å; Q486-L488 PolarHBondContact O-N 3.2Å; L488-V491 PolarHBondContact O-N 2.96Å; L488-L492 HydrophobicContact CD2-CD1 3.74Å; L488-L492 HydrophobicContact CG-CD1 4.13Å; L488-L492 WeakPolarHBondContact O-CG 3.47Å; L488-L492 PolarHBondContact O-N 2.79Å; L488-L492 VanDerWaalsContact O-N 3.09Å; L488-L508 HydrophobicContact CD1-CD1 4.3Å; L488-L508 HydrophobicContact CG-CD1 3.99Å; L488-C512 VanDerWaalsContact CD1-SG 3.51Å; L488-L515 HydrophobicContact CD1-CD1 3.84Å; L488-F537 HydrophobicContact CD2-CE1 3.86Å; L488-F537 HydrophobicContact CD2-CZ 3.77Å; L488-V541 HydrophobicContact CD2-CB 4.46Å; L488-V541 HydrophobicContact CD2-CG1 3.89Å; L488-V541 HydrophobicContact CD2-CG2 3.67Å
489V94.7Very high89.5Confident18 Ų1850 Ų5011%0.10928%0.278CS..Hα-helixtrans-59.8-50.8177.6171.20000109.8A485 Q486 V491 L492 S493 F533 E536 F537 A540 V541A485-V489 WeakPolarHBondContact O-CG2 3.34Å; A485-V489 PolarHBondContact O-N 3.14Å; Q486-V489 PolarHBondContact O-N 2.93Å; V489-V491 VanDerWaalsContact C-N 3.33Å; V489-V491 PolarHBondContact O-N 3.12Å; V489-L492 PolarHBondContact O-N 2.81Å; V489-S493 WeakPolarHBondContact CG1-OG 3.49Å; V489-S493 WeakPolarHBondContact O-CB 3.34Å; V489-S493 PolarHBondContact O-N 3.46Å; V489-S493 PolarHBondContact O-OG 3.05Å; V489-F533 HydrophobicContact CG2-CD1 4.44Å; V489-E536 HydrophobicContact CG1-CB 4.08Å; V489-E536 HydrophobicContact CG2-CB 4.05Å; V489-F537 HydrophobicContact CG2-CD2 3.95Å; V489-F537 HydrophobicContact CG2-CE2 3.64Å; V489-F537 HydrophobicContact CG2-CZ 4.4Å; V489-A540 HydrophobicContact CG1-CB 4.48Å; V489-V541 HydrophobicContact CG2-CG2 3.91Å
490L92.9Very high89.5Confident106 Ų10649 Ų4956%0.55527%0.271SS*.Hα-helixtrans-55.4-47179.9-72.6170000112.1Q486 L492 S493 D494Q486-L490 WeakPolarHBondContact O-CB 3.35Å; Q486-L490 VanDerWaalsContact O-CG 3.25Å; Q486-L490 WeakPolarHBondContact O-CG 3.31Å; Q486-L490 PolarHBondContact O-N 2.96Å; L490-L492 PolarHBondContact O-N 2.69Å; L490-S493 PolarHBondContact O-N 3.22Å; L490-D494 PolarHBondContact O-N 3.31Å
491V92.8Very high89.5Confident34 Ų3451.1 Ų51.121%0.20629%0.286CS..Hα-helixtrans-62.4-41.8179.6165.50000112.2Q487 L488 V489 L500 L508 K549Q487-V491 WeakPolarHBondContact O-CB 3.06Å; Q487-V491 VanDerWaalsContact O-CG2 3.22Å; Q487-V491 WeakPolarHBondContact O-CG2 3.49Å; Q487-V491 PolarHBondContact O-N 3.01Å; L488-V491 PolarHBondContact O-N 2.96Å; V489-V491 VanDerWaalsContact C-N 3.33Å; V489-V491 PolarHBondContact O-N 3.12Å; V491-L500 HydrophobicContact CG1-CD1 3.72Å; V491-L500 HydrophobicContact CG1-CD2 3.87Å; V491-L500 HydrophobicContact CG1-CG 4.39Å; V491-L508 HydrophobicContact CG1-CD1 4.35Å; V491-L508 HydrophobicContact CG1-CD2 4.38Å; V491-K549 WeakPolarHBondContact O-CE 3.26Å
492L91.9Very high89.5Confident6 Ų651.7 Ų51.73%0.03129%0.289CS..Hα-helixtrans-86.3-18-176.1-66.4-178.9000113.9L488 V489 L490 L508 V541 S545 A546 K549 V564L488-L492 HydrophobicContact CD2-CD1 3.74Å; L488-L492 HydrophobicContact CG-CD1 4.13Å; L488-L492 WeakPolarHBondContact O-CG 3.47Å; L488-L492 PolarHBondContact O-N 2.79Å; L488-L492 VanDerWaalsContact O-N 3.09Å; V489-L492 PolarHBondContact O-N 2.81Å; L490-L492 PolarHBondContact O-N 2.69Å; L492-L508 HydrophobicContact CD1-CD1 4.44Å; L492-L508 HydrophobicContact CD2-CD2 3.95Å; L492-L508 HydrophobicContact CG-CD1 4.37Å; L492-V541 HydrophobicContact CD1-CG1 3.8Å; L492-V541 HydrophobicContact CD1-CG2 4.47Å; L492-S545 WeakPolarHBondContact O-CB 3.17Å; L492-A546 HydrophobicContact CD2-CB 4.07Å; L492-K549 HydrophobicContact CD2-CB 4.48Å; L492-K549 HydrophobicContact CD2-CG 4.37Å; L492-V564 HydrophobicContact CD1-CG2 4.27Å
493S88.9Confident89.4Confident42 Ų4249.6 Ų49.629%0.29429%0.291SS..Hα-helixtrans-90.5-13.2179-490000113.2V489 L490 Q495 A540V489-S493 WeakPolarHBondContact CG1-OG 3.49Å; V489-S493 WeakPolarHBondContact O-CB 3.34Å; V489-S493 PolarHBondContact O-N 3.46Å; V489-S493 PolarHBondContact O-OG 3.05Å; L490-S493 PolarHBondContact O-N 3.22Å; S493-Q495 PolarHBondContact O-N 2.87Å; S493-Q495 VanDerWaalsContact O-N 3.07Å; S493-A540 WeakPolarHBondContact OG-CB 3.47Å
494D82.1Confident89.4Confident49 Ų4953.8 Ų53.826%0.26231%0.311SS..  trans-63.8108.8-177.1171.940.5000111.5L490 N496 S498 K549L490-D494 PolarHBondContact O-N 3.31Å; D494-N496 PolarHBondContact O-N 2.8Å; D494-N496 VanDerWaalsContact OD1-CB 3.29Å; D494-N496 WeakPolarHBondContact OD1-CB 3.32Å; D494-N496 VanDerWaalsContact OD1-CG 3.29Å; D494-N496 PolarHBondContact OD1-N 3.06Å; D494-N496 PolarHBondContact OD1-ND2 2.82Å; D494-S498 PolarHBondContact OD2-OG 2.67Å; D494-K549 WeakPolarHBondContact O-CE 3.49Å; D494-K549 PolarHBondContact O-NZ 3.17Å; D494-K549 IonicContact OD2-NZ 3.75Å; D494-K549 PolarHBondContact OD2-NZ 3.31Å
495Q70.2Confident89.4Confident188 Ų18853.8 Ų53.888%0.87931%0.311SS*.THydrogen-bonded Turntrans-76.8-5.7-177.4-61.5-17912.900113.3S493 G497S493-Q495 PolarHBondContact O-N 2.87Å; S493-Q495 VanDerWaalsContact O-N 3.07Å; Q495-G497 PolarHBondContact O-N 3.3Å
496N69.7Low89.4Confident141 Ų14154 Ų5475%0.75431%0.312SS*.THydrogen-bonded Turntrans-69.87.6-174.9-67-42.5000114.5D494 S498D494-N496 PolarHBondContact O-N 2.8Å; D494-N496 VanDerWaalsContact OD1-CB 3.29Å; D494-N496 WeakPolarHBondContact OD1-CB 3.32Å; D494-N496 VanDerWaalsContact OD1-CG 3.29Å; D494-N496 PolarHBondContact OD1-N 3.06Å; D494-N496 PolarHBondContact OD1-ND2 2.82Å; N496-S498 PolarHBondContact O-N 3.24Å
497G66.5Low89.5Confident62 Ų6251 Ų5164%0.63930%0.299SS*.  trans61.98.117800000114.5Q495 V499Q495-G497 PolarHBondContact O-N 3.3Å; G497-V499 PolarHBondContact O-N 3.21Å
498S83.7Confident89.6Confident60 Ų6048.8 Ų48.842%0.4229%0.289SS..PPolyproline II helixtrans-67.6129.2-178.372.20000109.8D494 N496 K549D494-S498 PolarHBondContact OD2-OG 2.67Å; N496-S498 PolarHBondContact O-N 3.24Å; S498-K549 WeakPolarHBondContact O-CD 3.28Å; S498-K549 PolarHBondContact O-NZ 3.41Å; S498-K549 VanDerWaalsContact O-NZ 3.15Å; S498-K549 PolarHBondContact OG-NZ 2.92Å
499V91Very high89.7Confident72 Ų7249 Ų4944%0.43629%0.29SS..PPolyproline II helixtrans-90137.2-179.3-179.60000109.3G497 Q551G497-V499 PolarHBondContact O-N 3.21Å; V499-Q551 HydrophobicContact CG1-CG 3.17Å; V499-Q551 VanDerWaalsContact CG1-NE2 3.26Å
500L94.4Very high89.8Confident12 Ų1248.4 Ų48.46%0.06329%0.285CS..PPolyproline II helixtrans-67.9141.7-176.2-61.3177.5000112.2V491 Q504 S505 L508 K549 L550 Y554V491-L500 HydrophobicContact CG1-CD1 3.72Å; V491-L500 HydrophobicContact CG1-CD2 3.87Å; V491-L500 HydrophobicContact CG1-CG 4.39Å; L500-Q504 HydrophobicContact CB-CB 4.05Å; L500-Q504 HydrophobicContact CD2-CB 4.18Å; L500-S505 WeakPolarHBondContact CB-OG 3.24Å; L500-L508 HydrophobicContact CD1-CD2 3.79Å; L500-K549 HydrophobicContact CD1-CB 4.15Å; L500-K549 HydrophobicContact CG-CB 4.2Å; L500-K549 PolarHBondContact N-O 3.07Å; L500-L550 HydrophobicContact CD1-CD2 4.16Å; L500-Y554 WeakPolarHBondContact O-CE2 3.47Å; L500-Y554 PolarHBondContact O-OH 2.87Å; L500-Y554 VanDerWaalsContact O-OH 3.04Å
501S94.7Very high90Very high44 Ų4443.8 Ų43.831%0.30826%0.261SS..PPolyproline II helixtrans-63.8161.6167.181.30000110.3A503 Q504 S505S501-A503 VanDerWaalsContact C-N 3.29Å; S501-A503 PolarHBondContact O-N 2.85Å; S501-Q504 PolarHBondContact O-N 2.9Å; S501-Q504 WeakPolarHBondContact OG-CG 3.44Å; S501-Q504 PolarHBondContact OG-N 2.86Å; S501-Q504 PolarHBondContact OG-OE1 3.46Å; S501-S505 WeakPolarHBondContact O-CB 3.38Å; S501-S505 PolarHBondContact O-N 3.38Å; S501-S505 PolarHBondContact O-OG 3.27Å
502P96.3Very high90.2Very high12 Ų1242.2 Ų42.28%0.07825%0.251CS..Hα-helixtrans-57.7-40.3176.6-27.737.3000113.4T268 L271 D272 S505 V506 Y554T268-P502 HydrophobicContact CG2-CB 4.02Å; T268-P502 WeakPolarHBondContact O-CB 3.38Å; L271-P502 HydrophobicContact CB-CG 4.12Å; D272-P502 HydrophobicContact CB-CB 4.05Å; D272-P502 HydrophobicContact CB-CG 3.9Å; P502-S505 PolarHBondContact O-N 2.99Å; P502-V506 WeakPolarHBondContact O-CG2 3.49Å; P502-V506 PolarHBondContact O-N 2.82Å; P502-V506 VanDerWaalsContact O-N 3.07Å; P502-Y554 WeakPolarHBondContact CD-OH 3.4Å; P502-Y554 HydrophobicContact CG-CE1 4.16Å
503A94Very high90.4Very high47 Ų4743.1 Ų43.139%0.38825%0.254SS..Hα-helixtrans-64.4-45.7176.600000112L269 S501 S505 V506 L507L269-A503 HydrophobicContact CD2-CB 4.47Å; S501-A503 VanDerWaalsContact C-N 3.29Å; S501-A503 PolarHBondContact O-N 2.85Å; A503-S505 VanDerWaalsContact C-N 3.3Å; A503-S505 PolarHBondContact O-N 2.98Å; A503-V506 PolarHBondContact O-N 3.18Å; A503-L507 PolarHBondContact O-N 2.94Å
504Q95.3Very high90.8Very high103 Ų10341.1 Ų41.148%0.48124%0.24SC..Hα-helixtrans-62.3-37.9176.1-72.5169.9-30.200112.1L500 S501 L507 L508L500-Q504 HydrophobicContact CB-CB 4.05Å; L500-Q504 HydrophobicContact CD2-CB 4.18Å; S501-Q504 PolarHBondContact O-N 2.9Å; S501-Q504 WeakPolarHBondContact OG-CG 3.44Å; S501-Q504 PolarHBondContact OG-N 2.86Å; S501-Q504 PolarHBondContact OG-OE1 3.46Å; Q504-L507 PolarHBondContact O-N 2.8Å; Q504-L508 WeakPolarHBondContact O-CB 3.16Å; Q504-L508 PolarHBondContact O-N 3.1Å
505S96.9Very high91.5Very high0 Ų038.8 Ų38.80%023%0.228CC..Hα-helixtrans-64.5-40.6177.1-58.10000112.1L500 S501 P502 A503 F509 L550 Y554L500-S505 WeakPolarHBondContact CB-OG 3.24Å; S501-S505 WeakPolarHBondContact O-CB 3.38Å; S501-S505 PolarHBondContact O-N 3.38Å; S501-S505 PolarHBondContact O-OG 3.27Å; P502-S505 PolarHBondContact O-N 2.99Å; A503-S505 VanDerWaalsContact C-N 3.3Å; A503-S505 PolarHBondContact O-N 2.98Å; S505-F509 PolarHBondContact O-N 3.23Å; S505-F509 VanDerWaalsContact O-N 3.09Å; S505-L550 WeakPolarHBondContact OG-CD2 3.38Å; S505-Y554 WeakPolarHBondContact OG-CD2 3.48Å; S505-Y554 VanDerWaalsContact OG-CE2 3.26Å; S505-Y554 WeakPolarHBondContact OG-CE2 3.46Å
506V96.6Very high92.8Very high5 Ų530.3 Ų30.33%0.0319%0.188CC..Hα-helixtrans-65.9-42.5174.2170.90000111.9I265 T268 L269 P502 A503 F509 Q510 I556I265-V506 HydrophobicContact CG1-CG1 4.47Å; I265-V506 HydrophobicContact CG2-CG1 3.73Å; I265-V506 HydrophobicContact CG2-CG2 4.19Å; T268-V506 HydrophobicContact CG2-CG2 3.92Å; L269-V506 HydrophobicContact CD2-CB 4.19Å; L269-V506 HydrophobicContact CD2-CG2 3.84Å; L269-V506 HydrophobicContact CG-CG2 3.84Å; P502-V506 WeakPolarHBondContact O-CG2 3.49Å; P502-V506 PolarHBondContact O-N 2.82Å; P502-V506 VanDerWaalsContact O-N 3.07Å; A503-V506 PolarHBondContact O-N 3.18Å; V506-F509 WeakPolarHBondContact O-CB 3.32Å; V506-F509 PolarHBondContact O-N 2.86Å; V506-Q510 HydrophobicContact CG1-CG 4.41Å; V506-Q510 WeakPolarHBondContact O-CG 3.45Å; V506-Q510 PolarHBondContact O-N 2.74Å; V506-Q510 PolarHBondContact O-OE1 2.87Å; V506-I556 HydrophobicContact CB-CD1 4.36Å; V506-I556 HydrophobicContact CG2-CD1 3.84Å
507L97.1Very high94Very high23 Ų2323.6 Ų23.612%0.1215%0.152CC..Hα-helixtrans-64.2-41.7177.9-177.962000111.9D436 A503 Q504 F509 Q510 R511D436-L507 HydrophobicContact CB-CD1 4.04Å; D436-L507 HydrophobicContact CB-CD2 3.79Å; D436-L507 VanDerWaalsContact OD2-CD2 3.27Å; D436-L507 WeakPolarHBondContact OD2-CD2 3.47Å; A503-L507 PolarHBondContact O-N 2.94Å; Q504-L507 PolarHBondContact O-N 2.8Å; L507-F509 VanDerWaalsContact C-N 3.33Å; L507-F509 PolarHBondContact O-N 2.84Å; L507-Q510 PolarHBondContact O-N 2.81Å; L507-R511 WeakPolarHBondContact O-CG 3.44Å; L507-R511 PolarHBondContact O-N 3.13Å
508L97.3Very high95.4Very high1 Ų120.6 Ų20.61%0.00512%0.122CC..Hα-helixtrans-57.6-46.7172.8178.163.8000111.2L488 V491 L492 L500 Q504 Q510 R511 C512 L550 T560L488-L508 HydrophobicContact CD1-CD1 4.3Å; L488-L508 HydrophobicContact CG-CD1 3.99Å; V491-L508 HydrophobicContact CG1-CD1 4.35Å; V491-L508 HydrophobicContact CG1-CD2 4.38Å; L492-L508 HydrophobicContact CD1-CD1 4.44Å; L492-L508 HydrophobicContact CD2-CD2 3.95Å; L492-L508 HydrophobicContact CG-CD1 4.37Å; L500-L508 HydrophobicContact CD1-CD2 3.79Å; Q504-L508 WeakPolarHBondContact O-CB 3.16Å; Q504-L508 PolarHBondContact O-N 3.1Å; L508-Q510 PolarHBondContact O-N 3.44Å; L508-R511 PolarHBondContact O-N 2.94Å; L508-C512 PolarHBondContact O-N 3.02Å; L508-C512 PolarHBondContact O-SG 3.46Å; L508-L550 HydrophobicContact CD2-CD1 4.38Å; L508-L550 HydrophobicContact CD2-CD2 4.34Å; L508-L550 HydrophobicContact CD2-CG 4.49Å; L508-T560 HydrophobicContact CD2-CG2 4.11Å; L508-T560 HydrophobicContact CG-CG2 4.07Å
509F96.8Very high96.1Very high5 Ų518.7 Ų18.72%0.02211%0.106CC..Hα-helixtrans-58.6-44.9175.6174.9-103.3000112.5I265 S505 V506 L507 C512 R513 I556 P559 T560 L563I265-F509 HydrophobicContact CD1-CD1 4.38Å; I265-F509 HydrophobicContact CD1-CE1 4.08Å; I265-F509 HydrophobicContact CG1-CD1 4.25Å; I265-F509 HydrophobicContact CG1-CE1 4.14Å; S505-F509 PolarHBondContact O-N 3.23Å; S505-F509 VanDerWaalsContact O-N 3.09Å; V506-F509 WeakPolarHBondContact O-CB 3.32Å; V506-F509 PolarHBondContact O-N 2.86Å; L507-F509 VanDerWaalsContact C-N 3.33Å; L507-F509 PolarHBondContact O-N 2.84Å; F509-C512 WeakPolarHBondContact O-CB 3.24Å; F509-C512 PolarHBondContact O-N 3.33Å; F509-R513 VanDerWaalsContact CE1-CD 3.45Å; F509-R513 HydrophobicContact CE1-CG 4.35Å; F509-R513 HydrophobicContact CZ-CG 4.3Å; F509-R513 WeakPolarHBondContact O-CG 3.29Å; F509-R513 PolarHBondContact O-N 3.49Å; F509-I556 HydrophobicContact CB-CD1 3.43Å; F509-I556 VanDerWaalsContact CB-CD1 3.43Å; F509-I556 HydrophobicContact CB-CG1 3.73Å; F509-I556 HydrophobicContact CD1-CD1 3.64Å; F509-I556 HydrophobicContact CD1-CG1 4.12Å; F509-I556 HydrophobicContact CD2-CD1 4.16Å; F509-I556 HydrophobicContact CD2-CG1 3.74Å; F509-I556 HydrophobicContact CE1-CD1 4.37Å; F509-I556 HydrophobicContact CE2-CG1 4.33Å; F509-I556 HydrophobicContact CG-CD1 3.49Å; F509-I556 VanDerWaalsContact CG-CD1 3.49Å; F509-I556 HydrophobicContact CG-CG1 3.61Å; F509-P559 HydrophobicContact CD2-CB 4.43Å; F509-P559 HydrophobicContact CE2-CB 3.8Å; F509-T560 WeakPolarHBondContact CD2-OG1 3.47Å; F509-L563 HydrophobicContact CD2-CD1 3.56Å; F509-L563 HydrophobicContact CE2-CD1 3.46Å; F509-L563 VanDerWaalsContact CE2-CD1 3.46Å; F509-L563 HydrophobicContact CG-CD1 4.48Å; F509-L563 HydrophobicContact CZ-CD1 4.33Å
510Q96.7Very high96.2Very high5 Ų519.2 Ų19.22%0.02310%0.104CC..Hα-helixtrans-64.4-41.8178.5-72.6168.2-43.400112.1S440 S443 V506 L507 L508 R513 L514S440-Q510 PolarHBondContact OG-OE1 2.98Å; S440-Q510 VanDerWaalsContact OG-OE1 3.1Å; S443-Q510 PolarHBondContact OG-O 3.42Å; V506-Q510 HydrophobicContact CG1-CG 4.41Å; V506-Q510 WeakPolarHBondContact O-CG 3.45Å; V506-Q510 PolarHBondContact O-N 2.74Å; V506-Q510 PolarHBondContact O-OE1 2.87Å; L507-Q510 PolarHBondContact O-N 2.81Å; L508-Q510 PolarHBondContact O-N 3.44Å; Q510-R513 PolarHBondContact O-N 3.25Å; Q510-L514 PolarHBondContact O-N 2.85Å
511R97.4Very high96.2Very high9 Ų921.2 Ų21.23%0.03411%0.111CC..Hα-helixtrans-60.9-46.9173.3-74.6-179.9-177.5135.8-8.1111.6D436 C439 L507 L508 R513 L514 L515D436-R511 IonicContact OD1-CZ 3.21Å; D436-R511 IonicContact OD1-NH2 3.27Å; D436-R511 PolarHBondContact OD1-NH2 3.46Å; D436-R511 IonicContact OD2-NH2 3.56Å; D436-R511 PolarHBondContact OD2-NH2 2.99Å; C439-R511 VanDerWaalsContact SG-CG 3.57Å; L507-R511 WeakPolarHBondContact O-CG 3.44Å; L507-R511 PolarHBondContact O-N 3.13Å; L508-R511 PolarHBondContact O-N 2.94Å; R511-R513 VanDerWaalsContact C-N 3.3Å; R511-R513 PolarHBondContact O-N 3.23Å; R511-L514 WeakPolarHBondContact O-CB 3.45Å; R511-L514 PolarHBondContact O-N 3.33Å; R511-L514 VanDerWaalsContact O-N 3.15Å; R511-L515 WeakPolarHBondContact O-CG 3.48Å; R511-L515 PolarHBondContact O-N 2.87Å
512C97.2Very high96.2Very high0 Ų019.9 Ų19.90%010%0.102CC..Hα-helixtrans-55.9-45174.8-730000111.5L488 L508 F509 L514 L515 L516 L563 I567L488-C512 VanDerWaalsContact CD1-SG 3.51Å; L508-C512 PolarHBondContact O-N 3.02Å; L508-C512 PolarHBondContact O-SG 3.46Å; F509-C512 WeakPolarHBondContact O-CB 3.24Å; F509-C512 PolarHBondContact O-N 3.33Å; C512-L514 PolarHBondContact O-N 3.27Å; C512-L515 PolarHBondContact O-N 3.32Å; C512-L516 VanDerWaalsContact O-CB 3.27Å; C512-L516 WeakPolarHBondContact O-CB 3.39Å; C512-L516 PolarHBondContact O-N 2.89Å; C512-L563 HydrophobicContact CB-CB 3.84Å; C512-L563 HydrophobicContact CB-CD1 3.98Å; C512-I567 HydrophobicContact CB-CD1 3.8Å; C512-I567 VanDerWaalsContact O-CD1 3.3Å; C512-I567 WeakPolarHBondContact O-CD1 3.25Å
513R95.2Very high96Very high25 Ų2525.8 Ų25.89%0.09413%0.133CC..Hα-helixtrans-62.5-41.5177-71.6-176.266.4-164.6-2.5112.7L447 F509 Q510 R511 A517 L563L447-R513 VanDerWaalsContact CD1-NH2 3.33Å; F509-R513 VanDerWaalsContact CE1-CD 3.45Å; F509-R513 HydrophobicContact CE1-CG 4.35Å; F509-R513 HydrophobicContact CZ-CG 4.3Å; F509-R513 WeakPolarHBondContact O-CG 3.29Å; F509-R513 PolarHBondContact O-N 3.49Å; Q510-R513 PolarHBondContact O-N 3.25Å; R511-R513 VanDerWaalsContact C-N 3.3Å; R511-R513 PolarHBondContact O-N 3.23Å; R513-A517 WeakPolarHBondContact O-CB 3.48Å; R513-A517 PolarHBondContact O-N 3Å; R513-L563 HydrophobicContact CG-CD1 3.55Å; R513-L563 HydrophobicContact CG-CD2 4.48Å
514L97.3Very high96.1Very high0 Ų027.4 Ų27.40%013%0.133CC..Hα-helixtrans-61.9-51.5176.5170.459.9000111.4L442 L446 F480 I481 Q484 Q510 R511 C512 L516 A517 C518L442-L514 HydrophobicContact CD2-CD1 3.46Å; L442-L514 VanDerWaalsContact CD2-CD1 3.46Å; L442-L514 HydrophobicContact CD2-CD2 4.13Å; L442-L514 HydrophobicContact CD2-CG 4.45Å; L442-L514 HydrophobicContact CG-CD1 4Å; L446-L514 HydrophobicContact CD1-CB 4.39Å; L446-L514 HydrophobicContact CD1-CD1 3.69Å; F480-L514 HydrophobicContact CE1-CD2 4.01Å; I481-L514 HydrophobicContact CD1-CD1 4.04Å; I481-L514 HydrophobicContact CD1-CD2 4.1Å; I481-L514 HydrophobicContact CD1-CG 4.16Å; Q484-L514 HydrophobicContact CB-CD2 4.36Å; Q484-L514 HydrophobicContact CG-CD2 3.96Å; Q510-L514 PolarHBondContact O-N 2.85Å; R511-L514 WeakPolarHBondContact O-CB 3.45Å; R511-L514 PolarHBondContact O-N 3.33Å; R511-L514 VanDerWaalsContact O-N 3.15Å; C512-L514 PolarHBondContact O-N 3.27Å; L514-L516 VanDerWaalsContact C-N 3.33Å; L514-L516 PolarHBondContact O-N 3.01Å; L514-A517 WeakPolarHBondContact O-CB 3.12Å; L514-A517 PolarHBondContact O-N 3.35Å; L514-A517 VanDerWaalsContact O-N 3.16Å; L514-C518 PolarHBondContact O-N 2.9Å; L514-C518 PolarHBondContact O-SG 2.81Å
515L97.4Very high96.1Very high1 Ų122.6 Ų22.61%0.00511%0.11CC..Hα-helixtrans-64.3-39.5-179.5-63-175.5000111.8I481 A485 L488 R511 C512 A517 C518 L519 L529 F537 I567I481-L515 HydrophobicContact CG2-CD2 4.19Å; A485-L515 HydrophobicContact CB-CD1 4.15Å; A485-L515 HydrophobicContact CB-CD2 4.23Å; L488-L515 HydrophobicContact CD1-CD1 3.84Å; R511-L515 WeakPolarHBondContact O-CG 3.48Å; R511-L515 PolarHBondContact O-N 2.87Å; C512-L515 PolarHBondContact O-N 3.32Å; L515-A517 VanDerWaalsContact C-N 3.31Å; L515-A517 PolarHBondContact O-N 3.14Å; L515-C518 WeakPolarHBondContact O-CB 3.39Å; L515-C518 PolarHBondContact O-N 2.68Å; L515-L519 WeakPolarHBondContact O-CG 3.43Å; L515-L519 PolarHBondContact O-N 3.36Å; L515-L529 HydrophobicContact CD2-CD1 4.25Å; L515-L529 HydrophobicContact CD2-CD2 4.14Å; L515-F537 HydrophobicContact CD1-CZ 4.06Å; L515-I567 HydrophobicContact CB-CD1 4.44Å
516L96.4Very high96.1Very high9 Ų923 Ų235%0.04711%0.113CC..Hα-helixtrans-60.9-42.1173.9-176.961.5000111.4C512 L514 C518 L519 Q520 L563 R566 I567 L570C512-L516 VanDerWaalsContact O-CB 3.27Å; C512-L516 WeakPolarHBondContact O-CB 3.39Å; C512-L516 PolarHBondContact O-N 2.89Å; L514-L516 VanDerWaalsContact C-N 3.33Å; L514-L516 PolarHBondContact O-N 3.01Å; L516-C518 VanDerWaalsContact C-N 3.34Å; L516-L519 PolarHBondContact O-N 3.22Å; L516-Q520 HydrophobicContact CD1-CG 4.08Å; L516-Q520 HydrophobicContact CG-CG 4.44Å; L516-Q520 WeakPolarHBondContact O-CB 3.3Å; L516-Q520 VanDerWaalsContact O-CG 3.3Å; L516-Q520 WeakPolarHBondContact O-CG 3.14Å; L516-Q520 PolarHBondContact O-N 3.33Å; L516-L563 HydrophobicContact CD2-CD2 3.51Å; L516-R566 HydrophobicContact CD1-CB 4.15Å; L516-I567 HydrophobicContact CB-CD1 4.41Å; L516-I567 HydrophobicContact CB-CG1 3.98Å; L516-I567 HydrophobicContact CD1-CG1 4.25Å; L516-L570 HydrophobicContact CD1-CD1 3.58Å
517A95.9Very high96Very high0 Ų028.2 Ų28.20%014%0.137CC..Hα-helixtrans-62.7-42.1175.400000111.6L446 V464 R513 L514 L515 L519 Q520 Y521L446-A517 HydrophobicContact CD1-CB 3.91Å; L446-A517 HydrophobicContact CD2-CB 4.19Å; V464-A517 HydrophobicContact CG1-CB 4.15Å; R513-A517 WeakPolarHBondContact O-CB 3.48Å; R513-A517 PolarHBondContact O-N 3Å; L514-A517 WeakPolarHBondContact O-CB 3.12Å; L514-A517 PolarHBondContact O-N 3.35Å; L514-A517 VanDerWaalsContact O-N 3.16Å; L515-A517 VanDerWaalsContact C-N 3.31Å; L515-A517 PolarHBondContact O-N 3.14Å; A517-L519 PolarHBondContact O-N 3.03Å; A517-Q520 PolarHBondContact O-N 3.03Å; A517-Y521 WeakPolarHBondContact O-CB 3.45Å; A517-Y521 WeakPolarHBondContact O-CD2 3.39Å; A517-Y521 PolarHBondContact O-N 2.97Å
518C96.9Very high95.9Very high0 Ų028.2 Ų28.20%014%0.137CC..Hα-helixtrans-58.8-47.2175.5-64.50000111.6L514 L515 L516 Q520 S522 L525 L529L514-C518 PolarHBondContact O-N 2.9Å; L514-C518 PolarHBondContact O-SG 2.81Å; L515-C518 WeakPolarHBondContact O-CB 3.39Å; L515-C518 PolarHBondContact O-N 2.68Å; L516-C518 VanDerWaalsContact C-N 3.34Å; C518-Q520 VanDerWaalsContact C-N 3.34Å; C518-Q520 PolarHBondContact O-N 2.92Å; C518-S522 PolarHBondContact O-N 2.83Å; C518-S522 VanDerWaalsContact O-O 3.06Å; C518-L525 HydrophobicContact CB-CB 3.91Å; C518-L525 HydrophobicContact CB-CD1 4.13Å; C518-L529 HydrophobicContact CB-CD1 3.91Å
519L96.4Very high95.8Very high19 Ų1928.2 Ų28.210%0.09914%0.137CC..Hα-helixtrans-64.8-34179.6-71.9162.8000113.3L515 L516 A517 A526 L529 I567 L570 I571L515-L519 WeakPolarHBondContact O-CG 3.43Å; L515-L519 PolarHBondContact O-N 3.36Å; L516-L519 PolarHBondContact O-N 3.22Å; A517-L519 PolarHBondContact O-N 3.03Å; L519-A526 HydrophobicContact CD2-CB 4.32Å; L519-L529 HydrophobicContact CD2-CB 4.17Å; L519-L529 HydrophobicContact CD2-CD1 4.16Å; L519-L529 HydrophobicContact CG-CD1 3.99Å; L519-I567 HydrophobicContact CD1-CB 4.36Å; L519-I567 HydrophobicContact CD1-CG1 4.44Å; L519-I567 HydrophobicContact CD1-CG2 3.82Å; L519-L570 HydrophobicContact CB-CB 4.41Å; L519-L570 HydrophobicContact CB-CD1 4.1Å; L519-L570 HydrophobicContact CD1-CB 4.23Å; L519-I571 HydrophobicContact CD1-CD1 4.21Å; L519-I571 HydrophobicContact CD1-CG1 3.87Å; L519-I571 HydrophobicContact CD2-CG1 3.86Å
520Q94.2Very high95.7Very high83 Ų8330 Ų3039%0.38815%0.145SC..Hα-helixtrans-90.3-28.9-174.6-71.9-178.8-23.700114L516 A517 C518 L570L516-Q520 HydrophobicContact CD1-CG 4.08Å; L516-Q520 HydrophobicContact CG-CG 4.44Å; L516-Q520 WeakPolarHBondContact O-CB 3.3Å; L516-Q520 VanDerWaalsContact O-CG 3.3Å; L516-Q520 WeakPolarHBondContact O-CG 3.14Å; L516-Q520 PolarHBondContact O-N 3.33Å; A517-Q520 PolarHBondContact O-N 3.03Å; C518-Q520 VanDerWaalsContact C-N 3.34Å; C518-Q520 PolarHBondContact O-N 2.92Å; Q520-L570 HydrophobicContact CG-CD1 3.85Å
521Y93.6Very high95.6Very high55 Ų5536.7 Ų36.722%0.21618%0.18CC..Hα-helixtrans-123.6-2.6-165.9-64.2-82000114.6Y450 R453 V464 S465 A517Y450-Y521 AromaticContact CE1-CE2 3.67Å; Y450-Y521 HydrophobicContact CE1-CE2 3.67Å; Y450-Y521 AromaticContact CE1-CZ 3.83Å; Y450-Y521 AromaticContact CZ-CE2 3.92Å; Y450-Y521 WeakPolarHBondContact OH-CE2 3.49Å; R453-Y521 PolarHBondContact NH1-OH 3.41Å; V464-Y521 HydrophobicContact CB-CD1 4.29Å; V464-Y521 HydrophobicContact CB-CD2 4.26Å; V464-Y521 HydrophobicContact CB-CG 4.12Å; V464-Y521 HydrophobicContact CG1-CD1 4.23Å; V464-Y521 HydrophobicContact CG1-CD2 3.51Å; V464-Y521 HydrophobicContact CG1-CE2 4.17Å; V464-Y521 HydrophobicContact CG1-CG 3.57Å; S465-Y521 WeakPolarHBondContact OG-CD1 3.43Å; A517-Y521 WeakPolarHBondContact O-CB 3.45Å; A517-Y521 WeakPolarHBondContact O-CD2 3.39Å; A517-Y521 PolarHBondContact O-N 2.97Å
522S94.8Very high95.4Very high16 Ų1639.6 Ų39.611%0.11220%0.197CC..  trans-139.6110.5175.4175.70000111.7C518 Q524 L525 A526C518-S522 PolarHBondContact O-N 2.83Å; C518-S522 VanDerWaalsContact O-O 3.06Å; S522-Q524 VanDerWaalsContact C-N 3.3Å; S522-Q524 PolarHBondContact O-N 3.41Å; S522-L525 PolarHBondContact O-N 3.04Å; S522-L525 WeakPolarHBondContact OG-CG 3.37Å; S522-L525 PolarHBondContact OG-N 3.03Å; S522-A526 VanDerWaalsContact O-CB 3.22Å; S522-A526 WeakPolarHBondContact O-CB 3.48Å; S522-A526 PolarHBondContact O-N 3.35Å
523N93.6Very high95.3Very high135 Ų13540 Ų4072%0.72220%0.198SC*.Hα-helixtrans-59.5-40.2179.2-67.7-17.9000112.3A526 Q527N523-A526 PolarHBondContact O-N 3.32Å; N523-Q527 WeakPolarHBondContact O-CB 3.3Å; N523-Q527 VanDerWaalsContact O-CG 3.24Å; N523-Q527 WeakPolarHBondContact O-CG 3.37Å; N523-Q527 PolarHBondContact O-N 3.02Å
524Q94.6Very high95.1Very high82 Ų8243.3 Ų43.338%0.38321%0.211SC..Hα-helixtrans-65.1-46179.7-177.1-176.6-7.500111.7S522 H528S522-Q524 VanDerWaalsContact C-N 3.3Å; S522-Q524 PolarHBondContact O-N 3.41Å; Q524-H528 WeakPolarHBondContact O-CB 3.47Å; Q524-H528 PolarHBondContact O-N 3.07Å
525L96.1Very high94.8Very high2 Ų248 Ų481%0.0123%0.232CC..Hα-helixtrans-70.5-36.8178.4-62.3177.7000111.4L468 L477 L478 I481 C518 S522 H528 L529L468-L525 HydrophobicContact CD2-CD1 4.26Å; L477-L525 HydrophobicContact CD2-CD1 4.33Å; L477-L525 HydrophobicContact CD2-CD2 4.07Å; L477-L525 HydrophobicContact CG-CD2 4.17Å; L478-L525 HydrophobicContact CD2-CD2 3.7Å; I481-L525 HydrophobicContact CG1-CD2 4.27Å; C518-L525 HydrophobicContact CB-CB 3.91Å; C518-L525 HydrophobicContact CB-CD1 4.13Å; S522-L525 PolarHBondContact O-N 3.04Å; S522-L525 WeakPolarHBondContact OG-CG 3.37Å; S522-L525 PolarHBondContact OG-N 3.03Å; L525-H528 PolarHBondContact O-N 3Å; L525-L529 WeakPolarHBondContact O-CG 3.46Å; L525-L529 PolarHBondContact O-N 2.99Å
526A96.3Very high94.6Very high8 Ų851.9 Ų51.97%0.06625%0.251CS..Hα-helixtrans-60.5-49.8175.200000111.5L519 S522 N523 H528 L529 Q530L519-A526 HydrophobicContact CD2-CB 4.32Å; S522-A526 VanDerWaalsContact O-CB 3.22Å; S522-A526 WeakPolarHBondContact O-CB 3.48Å; S522-A526 PolarHBondContact O-N 3.35Å; N523-A526 PolarHBondContact O-N 3.32Å; A526-H528 VanDerWaalsContact C-N 3.32Å; A526-H528 PolarHBondContact O-N 3.25Å; A526-L529 PolarHBondContact O-N 3.15Å; A526-Q530 WeakPolarHBondContact O-CB 3.44Å; A526-Q530 VanDerWaalsContact O-CG 3.3Å; A526-Q530 WeakPolarHBondContact O-CG 3.35Å; A526-Q530 PolarHBondContact O-N 3.27Å
527Q94.8Very high94.3Very high115 Ų11551.5 Ų51.554%0.53725%0.249SC..Hα-helixtrans-60-42175.3-74.6173-0.500111.6N523 L529 Q530 L531N523-Q527 WeakPolarHBondContact O-CB 3.3Å; N523-Q527 VanDerWaalsContact O-CG 3.24Å; N523-Q527 WeakPolarHBondContact O-CG 3.37Å; N523-Q527 PolarHBondContact O-N 3.02Å; Q527-L529 PolarHBondContact O-N 2.83Å; Q527-Q530 PolarHBondContact O-N 3Å; Q527-L531 WeakPolarHBondContact O-CB 3.48Å; Q527-L531 VanDerWaalsContact O-CG 3.26Å; Q527-L531 WeakPolarHBondContact O-CG 3.43Å; Q527-L531 PolarHBondContact O-N 3.3Å
528H94.3Very high94Very high23 Ų2358 Ų5811%0.10627%0.273CS..Hα-helixtrans-59-48.6176.2-176.374.6000112L478 R482 Q524 L525 A526 L531 N532L478-H528 HydrophobicContact CD2-CB 3.96Å; R482-H528 PolarHBondContact NH2-CE1 2.92Å; Q524-H528 WeakPolarHBondContact O-CB 3.47Å; Q524-H528 PolarHBondContact O-N 3.07Å; L525-H528 PolarHBondContact O-N 3Å; A526-H528 VanDerWaalsContact C-N 3.32Å; A526-H528 PolarHBondContact O-N 3.25Å; H528-L531 PolarHBondContact O-N 3.15Å; H528-N532 PolarHBondContact CE1-ND2 3.49Å; H528-N532 PolarHBondContact ND1-ND2 3.2Å; H528-N532 WeakPolarHBondContact O-CB 3.32Å; H528-N532 PolarHBondContact O-N 3.08Å; H528-N532 PolarHBondContact O-ND2 3.33Å
529L95.7Very high93.5Very high1 Ų165 Ų651%0.00530%0.304CS..Hα-helixtrans-64.2-44.4178.6-71169.6000111.6I481 A485 L515 C518 L519 L525 A526 Q527 L531 F533I481-L529 HydrophobicContact CG2-CD1 4.39Å; I481-L529 HydrophobicContact CG2-CD2 3.96Å; I481-L529 HydrophobicContact CG2-CG 4.29Å; A485-L529 HydrophobicContact CB-CD2 3.87Å; L515-L529 HydrophobicContact CD2-CD1 4.25Å; L515-L529 HydrophobicContact CD2-CD2 4.14Å; C518-L529 HydrophobicContact CB-CD1 3.91Å; L519-L529 HydrophobicContact CD2-CB 4.17Å; L519-L529 HydrophobicContact CD2-CD1 4.16Å; L519-L529 HydrophobicContact CG-CD1 3.99Å; L525-L529 WeakPolarHBondContact O-CG 3.46Å; L525-L529 PolarHBondContact O-N 2.99Å; A526-L529 PolarHBondContact O-N 3.15Å; Q527-L529 PolarHBondContact O-N 2.83Å; L529-L531 PolarHBondContact O-N 2.75Å; L529-F533 HydrophobicContact CD2-CD2 4.12Å; L529-F533 HydrophobicContact CD2-CE2 4.43Å; L529-F533 WeakPolarHBondContact O-CB 3.25Å; L529-F533 PolarHBondContact O-N 2.9Å
530Q95.4Very high93Very high42 Ų4265.3 Ų65.320%0.19631%0.309CS..Hα-helixtrans-62.5-42.2177.9-74.6168-19.400112.3A526 Q527 R534 L570A526-Q530 WeakPolarHBondContact O-CB 3.44Å; A526-Q530 VanDerWaalsContact O-CG 3.3Å; A526-Q530 WeakPolarHBondContact O-CG 3.35Å; A526-Q530 PolarHBondContact O-N 3.27Å; Q527-Q530 PolarHBondContact O-N 3Å; Q530-R534 WeakPolarHBondContact O-CB 3.27Å; Q530-L570 PolarHBondContact NE2-O 3.21Å; Q530-L570 VanDerWaalsContact NE2-O 3.07Å
531L93.9Very high92.9Very high146 Ų14661.5 Ų61.576%0.76429%0.291SS*.Hα-helixtrans-75.4-33.9-178-69.8171.2000113.3Q527 H528 L529Q527-L531 WeakPolarHBondContact O-CB 3.48Å; Q527-L531 VanDerWaalsContact O-CG 3.26Å; Q527-L531 WeakPolarHBondContact O-CG 3.43Å; Q527-L531 PolarHBondContact O-N 3.3Å; H528-L531 PolarHBondContact O-N 3.15Å; L529-L531 PolarHBondContact O-N 2.75Å
532N93.6Very high92.7Very high70 Ų7061.2 Ų61.237%0.37430%0.296SS..Hα-helixtrans-101.6-14.1-170.6-65.2-96.8000114.2H528H528-N532 PolarHBondContact CE1-ND2 3.49Å; H528-N532 PolarHBondContact ND1-ND2 3.2Å; H528-N532 WeakPolarHBondContact O-CB 3.32Å; H528-N532 PolarHBondContact O-N 3.08Å; H528-N532 PolarHBondContact O-ND2 3.33Å
533F94.1Very high92.5Very high8 Ų862.5 Ų62.54%0.03530%0.304CS..Hα-helixtrans-132.26.7-172.8-69.7-88000114.2R482 A485 Q486 V489 L529 E535 E536 F537R482-F533 HydrophobicContact CB-CE2 4.38Å; R482-F533 HydrophobicContact CB-CZ 4.36Å; R482-F533 HydrophobicContact CG-CE2 3.94Å; R482-F533 HydrophobicContact CG-CZ 3.65Å; R482-F533 WeakPolarHBondContact O-CZ 3.43Å; A485-F533 HydrophobicContact CB-CD1 4Å; A485-F533 HydrophobicContact CB-CD2 4.14Å; A485-F533 HydrophobicContact CB-CE1 3.66Å; A485-F533 HydrophobicContact CB-CE2 3.82Å; A485-F533 HydrophobicContact CB-CG 4.21Å; A485-F533 HydrophobicContact CB-CZ 3.56Å; Q486-F533 HydrophobicContact CG-CE1 3.68Å; Q486-F533 HydrophobicContact CG-CZ 3.82Å; V489-F533 HydrophobicContact CG2-CD1 4.44Å; L529-F533 HydrophobicContact CD2-CD2 4.12Å; L529-F533 HydrophobicContact CD2-CE2 4.43Å; L529-F533 WeakPolarHBondContact O-CB 3.25Å; L529-F533 PolarHBondContact O-N 2.9Å; F533-E535 PolarHBondContact O-N 2.82Å; F533-E536 VanDerWaalsContact C-OE2 3.3Å; F533-E536 VanDerWaalsContact CA-OE2 3.23Å; F533-E536 WeakPolarHBondContact CA-OE2 3.34Å; F533-F537 HydrophobicContact CB-CD2 3.72Å; F533-F537 HydrophobicContact CB-CE2 3.85Å; F533-F537 HydrophobicContact CD1-CE2 4.18Å; F533-F537 HydrophobicContact CG-CE2 4.28Å; F533-F537 WeakPolarHBondContact O-CB 3.46Å; F533-F537 VanDerWaalsContact O-CD2 3.26Å; F533-F537 WeakPolarHBondContact O-CD2 3.44Å; F533-F537 PolarHBondContact O-N 3.3Å
534R91.8Very high92.3Very high95 Ų9559.3 Ų59.336%0.35829%0.292SS..Hα-helixtrans-58.2-46.2-176.1173.8-178.4-168.5148.914.8112.6Q530 R538 I571 S574Q530-R534 WeakPolarHBondContact O-CB 3.27Å; R534-R538 WeakPolarHBondContact O-CB 3.49Å; R534-R538 PolarHBondContact O-N 3.04Å; R534-I571 HydrophobicContact CB-CG2 4.38Å; R534-S574 PolarHBondContact NH1-O 3.27Å; R534-S574 PolarHBondContact NH2-O 2.76Å
535E91.4Very high92.1Very high97 Ų9756 Ų5645%0.45328%0.278SS..Hα-helixtrans-71.9-43.7-176.2-61.5-52.5130.700110.9F533 F537 R538 F539F533-E535 PolarHBondContact O-N 2.82Å; E535-F537 VanDerWaalsContact C-N 3.33Å; E535-F537 PolarHBondContact O-N 3.46Å; E535-R538 WeakPolarHBondContact O-CB 3.35Å; E535-R538 PolarHBondContact O-N 3.2Å; E535-R538 VanDerWaalsContact O-N 3.09Å; E535-F539 HydrophobicContact CB-CD2 4.44Å; E535-F539 HydrophobicContact CB-CE2 4.47Å; E535-F539 WeakPolarHBondContact O-CD2 3.26Å; E535-F539 PolarHBondContact O-N 2.9Å; E535-F539 WeakPolarHBondContact OE2-CE2 3.33Å
536E92.1Very high91.8Very high84 Ų8455.9 Ų55.939%0.39328%0.277SS..Hα-helixtrans-59.4-43.9176.1-63.289.4156.400111.4V489 F533 R538 A540 V541V489-E536 HydrophobicContact CG1-CB 4.08Å; V489-E536 HydrophobicContact CG2-CB 4.05Å; F533-E536 VanDerWaalsContact C-OE2 3.3Å; F533-E536 VanDerWaalsContact CA-OE2 3.23Å; F533-E536 WeakPolarHBondContact CA-OE2 3.34Å; E536-R538 VanDerWaalsContact C-N 3.32Å; E536-A540 WeakPolarHBondContact O-CA 3.4Å; E536-A540 WeakPolarHBondContact O-CB 3.47Å; E536-A540 PolarHBondContact O-N 3.27Å; E536-V541 PolarHBondContact O-N 3.19Å
537F91.7Very high91.6Very high1 Ų161 Ų610%0.00430%0.3CS..Hα-helixtrans-72.9-25.8176.9-84.8-108.8000113.1L488 V489 L515 F533 E535 V541 I567 V568 I571L488-F537 HydrophobicContact CD2-CE1 3.86Å; L488-F537 HydrophobicContact CD2-CZ 3.77Å; V489-F537 HydrophobicContact CG2-CD2 3.95Å; V489-F537 HydrophobicContact CG2-CE2 3.64Å; V489-F537 HydrophobicContact CG2-CZ 4.4Å; L515-F537 HydrophobicContact CD1-CZ 4.06Å; F533-F537 HydrophobicContact CB-CD2 3.72Å; F533-F537 HydrophobicContact CB-CE2 3.85Å; F533-F537 HydrophobicContact CD1-CE2 4.18Å; F533-F537 HydrophobicContact CG-CE2 4.28Å; F533-F537 WeakPolarHBondContact O-CB 3.46Å; F533-F537 VanDerWaalsContact O-CD2 3.26Å; F533-F537 WeakPolarHBondContact O-CD2 3.44Å; F533-F537 PolarHBondContact O-N 3.3Å; E535-F537 VanDerWaalsContact C-N 3.33Å; E535-F537 PolarHBondContact O-N 3.46Å; F537-V541 HydrophobicContact CB-CB 4.4Å; F537-V541 HydrophobicContact CD1-CB 3.87Å; F537-V541 HydrophobicContact CD1-CG1 3.81Å; F537-V541 HydrophobicContact CD1-CG2 4Å; F537-V541 HydrophobicContact CD2-CG2 4.29Å; F537-V541 HydrophobicContact CE1-CB 4.4Å; F537-V541 HydrophobicContact CE1-CG1 4.04Å; F537-V541 HydrophobicContact CE1-CG2 4.23Å; F537-V541 HydrophobicContact CG-CB 4.16Å; F537-V541 HydrophobicContact CG-CG2 4.06Å; F537-I567 HydrophobicContact CD1-CG2 3.91Å; F537-I567 HydrophobicContact CE1-CG2 3.46Å; F537-I567 VanDerWaalsContact CE1-CG2 3.46Å; F537-I567 HydrophobicContact CZ-CG2 4.42Å; F537-V568 HydrophobicContact CD1-CG2 4.39Å; F537-I571 HydrophobicContact CB-CD1 4.17Å; F537-I571 HydrophobicContact CB-CG2 4.18Å; F537-I571 HydrophobicContact CD1-CD1 3.4Å; F537-I571 VanDerWaalsContact CD1-CD1 3.4Å; F537-I571 HydrophobicContact CD2-CD1 4.06Å; F537-I571 HydrophobicContact CE1-CD1 3.66Å; F537-I571 HydrophobicContact CE2-CD1 4.26Å; F537-I571 HydrophobicContact CG-CD1 3.6Å; F537-I571 HydrophobicContact CZ-CD1 4.06Å
538R88.1Confident91.4Very high137 Ų13762.8 Ų62.852%0.51731%0.308SS..Hα-helixtrans-71-41.7175.9-179.8-178.7176.989.61.2111.7R534 E535 E536R534-R538 WeakPolarHBondContact O-CB 3.49Å; R534-R538 PolarHBondContact O-N 3.04Å; E535-R538 WeakPolarHBondContact O-CB 3.35Å; E535-R538 PolarHBondContact O-N 3.2Å; E535-R538 VanDerWaalsContact O-N 3.09Å; E536-R538 VanDerWaalsContact C-N 3.32Å
539F86.6Confident91.2Very high146 Ų14662.1 Ų62.164%0.6431%0.305SS*.Hα-helixtrans-100.5-30.7-171.6-64.3-64.4000114.3E535E535-F539 HydrophobicContact CB-CD2 4.44Å; E535-F539 HydrophobicContact CB-CE2 4.47Å; E535-F539 WeakPolarHBondContact O-CD2 3.26Å; E535-F539 PolarHBondContact O-N 2.9Å; E535-F539 WeakPolarHBondContact OE2-CE2 3.33Å
540A86.9Confident91.1Very high26 Ų2662.1 Ų62.122%0.21531%0.305CS..THydrogen-bonded Turntrans-113.3-24.7-167.200000113.7V489 S493 E536 S545V489-A540 HydrophobicContact CG1-CB 4.48Å; S493-A540 WeakPolarHBondContact OG-CB 3.47Å; E536-A540 WeakPolarHBondContact O-CA 3.4Å; E536-A540 WeakPolarHBondContact O-CB 3.47Å; E536-A540 PolarHBondContact O-N 3.27Å; A540-S545 PolarHBondContact O-OG 2.81Å
541V90.6Very high90.9Very high2 Ų262.1 Ų62.11%0.01231%0.305CS..  trans-104.1102.2179.4-179.60000109.9L488 V489 L492 E536 F537 V564 V568L488-V541 HydrophobicContact CD2-CB 4.46Å; L488-V541 HydrophobicContact CD2-CG1 3.89Å; L488-V541 HydrophobicContact CD2-CG2 3.67Å; V489-V541 HydrophobicContact CG2-CG2 3.91Å; L492-V541 HydrophobicContact CD1-CG1 3.8Å; L492-V541 HydrophobicContact CD1-CG2 4.47Å; E536-V541 PolarHBondContact O-N 3.19Å; F537-V541 HydrophobicContact CB-CB 4.4Å; F537-V541 HydrophobicContact CD1-CB 3.87Å; F537-V541 HydrophobicContact CD1-CG1 3.81Å; F537-V541 HydrophobicContact CD1-CG2 4Å; F537-V541 HydrophobicContact CD2-CG2 4.29Å; F537-V541 HydrophobicContact CE1-CB 4.4Å; F537-V541 HydrophobicContact CE1-CG1 4.04Å; F537-V541 HydrophobicContact CE1-CG2 4.23Å; F537-V541 HydrophobicContact CG-CB 4.16Å; F537-V541 HydrophobicContact CG-CG2 4.06Å; V541-V564 HydrophobicContact CG1-CG1 3.73Å; V541-V568 HydrophobicContact CB-CG2 4.46Å; V541-V568 HydrophobicContact CG1-CG2 3.95Å; V541-V568 VanDerWaalsContact O-CG2 3.31Å; V541-V568 WeakPolarHBondContact O-CG2 3.16Å
542T89.4Confident90.5Very high50 Ų5061.1 Ų61.131%0.30731%0.307SS..  trans-127.3156.6177.167.30000111S544 S545 A546T542-S544 PolarHBondContact O-N 3.5Å; T542-S545 PolarHBondContact N-OG 2.86Å; T542-S545 PolarHBondContact O-N 2.89Å; T542-S545 PolarHBondContact O-OG 3Å; T542-S545 VanDerWaalsContact O-OG 3.07Å; T542-S545 PolarHBondContact OG1-N 2.8Å; T542-S545 PolarHBondContact OG1-OG 2.85Å; T542-A546 PolarHBondContact O-N 3.17Å; T542-A546 VanDerWaalsContact O-N 3.15Å
543P90.8Very high90.3Very high43 Ų4366.2 Ų66.228%0.27932%0.321SS..Hα-helixtrans-54.5-38.5170.9-26.736.2000112.2A546 E547 V561 Q565P543-A546 PolarHBondContact O-N 3.24Å; P543-E547 WeakPolarHBondContact O-CG 3.43Å; P543-E547 PolarHBondContact O-N 2.91Å; P543-V561 HydrophobicContact CB-CG1 3.88Å; P543-Q565 HydrophobicContact CG-CB 4.02Å; P543-Q565 HydrophobicContact CG-CG 4.28Å
544S89.6Confident90.3Very high67 Ų6766.3 Ų66.347%0.46932%0.322SS..Hα-helixtrans-65.5-43.7177.6-55.10000112.5T542 A546 E547 E548T542-S544 PolarHBondContact O-N 3.5Å; S544-A546 VanDerWaalsContact C-N 3.26Å; S544-A546 PolarHBondContact O-N 2.96Å; S544-E547 PolarHBondContact O-N 2.89Å; S544-E547 VanDerWaalsContact O-N 3.08Å; S544-E548 WeakPolarHBondContact O-CG 3.23Å; S544-E548 PolarHBondContact O-N 2.79Å
545S90.1Very high90.3Very high13 Ų1364.1 Ų64.19%0.09132%0.319CS..Hα-helixtrans-64.7-31.8176.363.10000112.4L492 A540 T542 K549L492-S545 WeakPolarHBondContact O-CB 3.17Å; A540-S545 PolarHBondContact O-OG 2.81Å; T542-S545 PolarHBondContact N-OG 2.86Å; T542-S545 PolarHBondContact O-N 2.89Å; T542-S545 PolarHBondContact O-OG 3Å; T542-S545 VanDerWaalsContact O-OG 3.07Å; T542-S545 PolarHBondContact OG1-N 2.8Å; T542-S545 PolarHBondContact OG1-OG 2.85Å; S545-K549 WeakPolarHBondContact O-CB 3.26Å; S545-K549 VanDerWaalsContact O-CG 3.28Å; S545-K549 WeakPolarHBondContact O-CG 3.47Å; S545-K549 PolarHBondContact O-N 3.48Å
546A90.8Very high90.5Very high0 Ų059.5 Ų59.50%030%0.298CS..Hα-helixtrans-68.4-40.117100000112.6L492 T542 P543 S544 K549 L550 V561 V564L492-A546 HydrophobicContact CD2-CB 4.07Å; T542-A546 PolarHBondContact O-N 3.17Å; T542-A546 VanDerWaalsContact O-N 3.15Å; P543-A546 PolarHBondContact O-N 3.24Å; S544-A546 VanDerWaalsContact C-N 3.26Å; S544-A546 PolarHBondContact O-N 2.96Å; A546-K549 PolarHBondContact O-N 3.49Å; A546-L550 HydrophobicContact CB-CD1 4.49Å; A546-L550 VanDerWaalsContact O-CB 3.26Å; A546-L550 WeakPolarHBondContact O-CB 3.41Å; A546-L550 WeakPolarHBondContact O-CD1 3.17Å; A546-L550 VanDerWaalsContact O-CG 3.23Å; A546-L550 WeakPolarHBondContact O-CG 3.04Å; A546-L550 PolarHBondContact O-N 2.9Å; A546-V561 HydrophobicContact CB-CG2 4.1Å; A546-V564 HydrophobicContact CB-CG2 4.1Å
547E91.2Very high90.5Very high114 Ų11456.1 Ų56.153%0.53328%0.283SS..Hα-helixtrans-64.9-38.1176.2-75.4-179.9169.100112.6P543 S544 L550 V561P543-E547 WeakPolarHBondContact O-CG 3.43Å; P543-E547 PolarHBondContact O-N 2.91Å; S544-E547 PolarHBondContact O-N 2.89Å; S544-E547 VanDerWaalsContact O-N 3.08Å; E547-L550 VanDerWaalsContact O-O 3.04Å; E547-V561 HydrophobicContact CG-CB 4.41Å; E547-V561 HydrophobicContact CG-CG1 4.02Å; E547-V561 HydrophobicContact CG-CG2 3.51Å
548E90.4Very high90.5Very high153 Ų15361.2 Ų61.272%0.71531%0.305SS*.Hα-helixtrans-65.8-39.6176.2-72.6172.6-17400112.1S544S544-E548 WeakPolarHBondContact O-CG 3.23Å; S544-E548 PolarHBondContact O-N 2.79Å
549K91.7Very high90.7Very high10 Ų1055.5 Ų55.54%0.04329%0.286CS..Hα-helixtrans-77.3-27.7-179.6-71-66.4-177.6-177.20113.9V491 L492 D494 S498 L500 S545 A546V491-K549 WeakPolarHBondContact O-CE 3.26Å; L492-K549 HydrophobicContact CD2-CB 4.48Å; L492-K549 HydrophobicContact CD2-CG 4.37Å; D494-K549 WeakPolarHBondContact O-CE 3.49Å; D494-K549 PolarHBondContact O-NZ 3.17Å; D494-K549 IonicContact OD2-NZ 3.75Å; D494-K549 PolarHBondContact OD2-NZ 3.31Å; S498-K549 WeakPolarHBondContact O-CD 3.28Å; S498-K549 PolarHBondContact O-NZ 3.41Å; S498-K549 VanDerWaalsContact O-NZ 3.15Å; S498-K549 PolarHBondContact OG-NZ 2.92Å; L500-K549 HydrophobicContact CD1-CB 4.15Å; L500-K549 HydrophobicContact CG-CB 4.2Å; L500-K549 PolarHBondContact N-O 3.07Å; S545-K549 WeakPolarHBondContact O-CB 3.26Å; S545-K549 VanDerWaalsContact O-CG 3.28Å; S545-K549 WeakPolarHBondContact O-CG 3.47Å; S545-K549 PolarHBondContact O-N 3.48Å; A546-K549 PolarHBondContact O-N 3.49Å
550L93.1Very high91.2Very high1 Ų148.5 Ų48.51%0.00526%0.255CS..SBendtrans-102.5125.1-174.1-67168000111.6L500 S505 L508 A546 E547 C557 T560L500-L550 HydrophobicContact CD1-CD2 4.16Å; S505-L550 WeakPolarHBondContact OG-CD2 3.38Å; L508-L550 HydrophobicContact CD2-CD1 4.38Å; L508-L550 HydrophobicContact CD2-CD2 4.34Å; L508-L550 HydrophobicContact CD2-CG 4.49Å; A546-L550 HydrophobicContact CB-CD1 4.49Å; A546-L550 VanDerWaalsContact O-CB 3.26Å; A546-L550 WeakPolarHBondContact O-CB 3.41Å; A546-L550 WeakPolarHBondContact O-CD1 3.17Å; A546-L550 VanDerWaalsContact O-CG 3.23Å; A546-L550 WeakPolarHBondContact O-CG 3.04Å; A546-L550 PolarHBondContact O-N 2.9Å; E547-L550 VanDerWaalsContact O-O 3.04Å; L550-C557 HydrophobicContact CB-CB 4.08Å; L550-T560 HydrophobicContact CD1-CG2 3.72Å
551Q89.8Confident91.5Very high41 Ų4147.9 Ų47.919%0.19225%0.249CC..  trans-63.3134.8178.9-62.3-179.92.400111.4V499 R553 Y554V499-Q551 HydrophobicContact CG1-CG 3.17Å; V499-Q551 VanDerWaalsContact CG1-NE2 3.26Å; Q551-R553 HydrophobicContact CB-CG 4Å; Q551-R553 PolarHBondContact O-N 3.13Å; Q551-Y554 HydrophobicContact CB-CD1 3.9Å; Q551-Y554 HydrophobicContact CB-CD2 3.85Å; Q551-Y554 HydrophobicContact CB-CE1 3.94Å; Q551-Y554 HydrophobicContact CB-CE2 3.84Å; Q551-Y554 HydrophobicContact CB-CG 3.89Å; Q551-Y554 HydrophobicContact CG-CD2 4.34Å; Q551-Y554 HydrophobicContact CG-CE1 4.19Å; Q551-Y554 HydrophobicContact CG-CE2 3.83Å; Q551-Y554 PolarHBondContact NE2-OH 3.05Å; Q551-Y554 WeakPolarHBondContact O-CB 3.29Å; Q551-Y554 PolarHBondContact O-N 3.45Å; Q551-Y554 PolarHBondContact OE1-OH 2.75Å
552P87.4Confident91.7Very high126 Ų12651.8 Ų51.882%0.81826%0.264SS*.THydrogen-bonded Turntrans-58.6-25.7178-27.434.8000114.1Y554P552-Y554 VanDerWaalsContact C-N 3.29Å; P552-Y554 PolarHBondContact O-N 3.12Å
553R89.2Confident91.9Very high177 Ų17750.6 Ų50.667%0.66826%0.255SS*.THydrogen-bonded Turntrans-74.3-15.117668.5178.5177.1-172.8-3.5113.8Q551 P555Q551-R553 HydrophobicContact CB-CG 4Å; Q551-R553 PolarHBondContact O-N 3.13Å; R553-P555 WeakPolarHBondContact O-CD 3.26Å
554Y93.6Very high92.2Very high10 Ų1048.6 Ų48.64%0.03924%0.242CC..SBendtrans-76.4120.7177.4-63.9-12.6000109.3T268 L271 L500 P502 S505 Q551 P552 I556 C557T268-Y554 HydrophobicContact CG2-CD2 4.5Å; T268-Y554 HydrophobicContact CG2-CG 4.28Å; L271-Y554 HydrophobicContact CB-CE1 4.43Å; L271-Y554 HydrophobicContact CD1-CD1 3.33Å; L271-Y554 HydrophobicContact CD1-CE1 3.75Å; L271-Y554 HydrophobicContact CD1-CG 4.41Å; L500-Y554 WeakPolarHBondContact O-CE2 3.47Å; L500-Y554 PolarHBondContact O-OH 2.87Å; L500-Y554 VanDerWaalsContact O-OH 3.04Å; P502-Y554 WeakPolarHBondContact CD-OH 3.4Å; P502-Y554 HydrophobicContact CG-CE1 4.16Å; S505-Y554 WeakPolarHBondContact OG-CD2 3.48Å; S505-Y554 VanDerWaalsContact OG-CE2 3.26Å; S505-Y554 WeakPolarHBondContact OG-CE2 3.46Å; Q551-Y554 HydrophobicContact CB-CD1 3.9Å; Q551-Y554 HydrophobicContact CB-CD2 3.85Å; Q551-Y554 HydrophobicContact CB-CE1 3.94Å; Q551-Y554 HydrophobicContact CB-CE2 3.84Å; Q551-Y554 HydrophobicContact CB-CG 3.89Å; Q551-Y554 HydrophobicContact CG-CD2 4.34Å; Q551-Y554 HydrophobicContact CG-CE1 4.19Å; Q551-Y554 HydrophobicContact CG-CE2 3.83Å; Q551-Y554 PolarHBondContact NE2-OH 3.05Å; Q551-Y554 WeakPolarHBondContact O-CB 3.29Å; Q551-Y554 PolarHBondContact O-N 3.45Å; Q551-Y554 PolarHBondContact OE1-OH 2.75Å; P552-Y554 VanDerWaalsContact C-N 3.29Å; P552-Y554 PolarHBondContact O-N 3.12Å; Y554-I556 PolarHBondContact O-N 2.95Å; Y554-C557 VanDerWaalsContact O-CB 3.27Å; Y554-C557 WeakPolarHBondContact O-CB 3.49Å; Y554-C557 PolarHBondContact O-N 2.9Å
555P92.3Very high92.4Very high48 Ų4850.6 Ų50.631%0.31224%0.244SC..THydrogen-bonded Turntrans-54.8-26.3176.7-29.438000113.3V264 T268 R553 C557 P559V264-P555 HydrophobicContact CG1-CB 4.25Å; V264-P555 HydrophobicContact CG2-CB 4.32Å; T268-P555 WeakPolarHBondContact OG1-CD 3.27Å; R553-P555 WeakPolarHBondContact O-CD 3.26Å; P555-C557 VanDerWaalsContact C-N 3.33Å; P555-P559 VanDerWaalsContact O-CD 3.3Å; P555-P559 WeakPolarHBondContact O-CD 3.4Å
556I94.5Very high92.7Very high0 Ų057.2 Ų57.20%027%0.267CS..THydrogen-bonded Turntrans-79.1-11.5-179.1-150.1161.4000114.6V264 I265 T268 V506 F509 Y554 P559 T560V264-I556 HydrophobicContact CG1-CB 3.58Å; V264-I556 HydrophobicContact CG1-CD1 4.25Å; V264-I556 HydrophobicContact CG1-CG1 3.63Å; I265-I556 HydrophobicContact CG1-CD1 4.13Å; T268-I556 HydrophobicContact CG2-CG2 3.9Å; T268-I556 WeakPolarHBondContact OG1-CB 3.39Å; T268-I556 WeakPolarHBondContact OG1-CG2 3.43Å; T268-I556 PolarHBondContact OG1-N 3.23Å; V506-I556 HydrophobicContact CB-CD1 4.36Å; V506-I556 HydrophobicContact CG2-CD1 3.84Å; F509-I556 HydrophobicContact CB-CD1 3.43Å; F509-I556 VanDerWaalsContact CB-CD1 3.43Å; F509-I556 HydrophobicContact CB-CG1 3.73Å; F509-I556 HydrophobicContact CD1-CD1 3.64Å; F509-I556 HydrophobicContact CD1-CG1 4.12Å; F509-I556 HydrophobicContact CD2-CD1 4.16Å; F509-I556 HydrophobicContact CD2-CG1 3.74Å; F509-I556 HydrophobicContact CE1-CD1 4.37Å; F509-I556 HydrophobicContact CE2-CG1 4.33Å; F509-I556 HydrophobicContact CG-CD1 3.49Å; F509-I556 VanDerWaalsContact CG-CD1 3.49Å; F509-I556 HydrophobicContact CG-CG1 3.61Å; Y554-I556 PolarHBondContact O-N 2.95Å; I556-P559 WeakPolarHBondContact O-CD 3.4Å; I556-T560 WeakPolarHBondContact O-CB 3.25Å; I556-T560 PolarHBondContact O-N 3.24Å; I556-T560 PolarHBondContact O-OG1 3.16Å
557C93.6Very high92.9Very high13 Ų1357.2 Ų57.29%0.08827%0.267CS..Hα-helixtrans-57.2-64-175.7176.30000111.5L550 Y554 P555 T560 V561L550-C557 HydrophobicContact CB-CB 4.08Å; Y554-C557 VanDerWaalsContact O-CB 3.27Å; Y554-C557 WeakPolarHBondContact O-CB 3.49Å; Y554-C557 PolarHBondContact O-N 2.9Å; P555-C557 VanDerWaalsContact C-N 3.33Å; C557-T560 PolarHBondContact O-N 3.28Å; C557-T560 VanDerWaalsContact O-N 3.08Å; C557-V561 WeakPolarHBondContact O-CG2 3.35Å; C557-V561 PolarHBondContact O-N 3.22Å
558K91.3Very high93.1Very high108 Ų10852.6 Ų52.647%0.4725%0.246SC..Hα-helixtrans-57.8-46.6-179.2-64.5-169.4177.9-166.80113.4T560 V561 R562K558-T560 VanDerWaalsContact C-N 3.29Å; K558-T560 PolarHBondContact O-N 2.79Å; K558-V561 PolarHBondContact O-N 3.49Å; K558-R562 WeakPolarHBondContact O-CG 3.22Å; K558-R562 PolarHBondContact O-N 3.25Å; K558-R562 VanDerWaalsContact O-N 3.13Å
559P92.7Very high93.3Very high17 Ų1747.8 Ų47.811%0.1123%0.228CC..Hα-helixtrans-56.4-40.5174.6-28.636.5000113.6W260 V264 F509 P555 I556 L563W260-P559 HydrophobicContact CZ2-CG 4.44Å; V264-P559 HydrophobicContact CG1-CG 4.39Å; F509-P559 HydrophobicContact CD2-CB 4.43Å; F509-P559 HydrophobicContact CE2-CB 3.8Å; P555-P559 VanDerWaalsContact O-CD 3.3Å; P555-P559 WeakPolarHBondContact O-CD 3.4Å; I556-P559 WeakPolarHBondContact O-CD 3.4Å; P559-L563 WeakPolarHBondContact O-CG 3.48Å; P559-L563 PolarHBondContact O-N 3.24Å; P559-L563 VanDerWaalsContact O-N 3.16Å
560T95.5Very high93.4Very high0 Ų049.3 Ų49.30%024%0.236CC..Hα-helixtrans-67.3-44.3179.7-53.10000111.6L508 F509 L550 I556 C557 K558 R562 L563 V564L508-T560 HydrophobicContact CD2-CG2 4.11Å; L508-T560 HydrophobicContact CG-CG2 4.07Å; F509-T560 WeakPolarHBondContact CD2-OG1 3.47Å; L550-T560 HydrophobicContact CD1-CG2 3.72Å; I556-T560 WeakPolarHBondContact O-CB 3.25Å; I556-T560 PolarHBondContact O-N 3.24Å; I556-T560 PolarHBondContact O-OG1 3.16Å; C557-T560 PolarHBondContact O-N 3.28Å; C557-T560 VanDerWaalsContact O-N 3.08Å; K558-T560 VanDerWaalsContact C-N 3.29Å; K558-T560 PolarHBondContact O-N 2.79Å; T560-R562 VanDerWaalsContact C-N 3.32Å; T560-R562 PolarHBondContact O-N 3.3Å; T560-L563 WeakPolarHBondContact O-CB 3.32Å; T560-L563 PolarHBondContact O-N 2.77Å; T560-L563 VanDerWaalsContact O-N 3.08Å; T560-V564 WeakPolarHBondContact O-CG2 3.46Å; T560-V564 PolarHBondContact O-N 3.31Å
561V94.9Very high93.4Very high13 Ų1349.3 Ų49.38%0.07924%0.236CC..Hα-helixtrans-59.4-42.9178175.80000111.2P543 A546 E547 C557 K558 L563 V564 Q565P543-V561 HydrophobicContact CB-CG1 3.88Å; A546-V561 HydrophobicContact CB-CG2 4.1Å; E547-V561 HydrophobicContact CG-CB 4.41Å; E547-V561 HydrophobicContact CG-CG1 4.02Å; E547-V561 HydrophobicContact CG-CG2 3.51Å; C557-V561 WeakPolarHBondContact O-CG2 3.35Å; C557-V561 PolarHBondContact O-N 3.22Å; K558-V561 PolarHBondContact O-N 3.49Å; V561-L563 VanDerWaalsContact C-N 3.33Å; V561-L563 PolarHBondContact O-N 2.82Å; V561-V564 PolarHBondContact O-N 2.95Å; V561-Q565 PolarHBondContact O-N 3.03Å
562R93.4Very high93.2Very high84 Ų8451.2 Ų51.232%0.31725%0.245SC..Hα-helixtrans-61.8-38.8174.6-69.2-175.2-165153.19.6112.6R82 D83 K558 T560 R566R82-R562 VanDerWaalsContact O-CZ 3.31Å; R82-R562 PolarHBondContact O-NH1 3.48Å; R82-R562 PolarHBondContact O-NH2 2.98Å; D83-R562 IonicContact OD1-NH1 3.24Å; D83-R562 PolarHBondContact OD1-NH1 3.02Å; D83-R562 IonicContact OD2-CZ 2.7Å; D83-R562 IonicContact OD2-NH1 2.98Å; D83-R562 PolarHBondContact OD2-NH1 3.24Å; K558-R562 WeakPolarHBondContact O-CG 3.22Å; K558-R562 PolarHBondContact O-N 3.25Å; K558-R562 VanDerWaalsContact O-N 3.13Å; T560-R562 VanDerWaalsContact C-N 3.32Å; T560-R562 PolarHBondContact O-N 3.3Å; R562-R566 WeakPolarHBondContact O-CG 3.07Å; R562-R566 PolarHBondContact O-N 2.68Å; R562-R566 VanDerWaalsContact O-N 3.1Å
563L95Very high92.6Very high24 Ų2454.3 Ų54.313%0.12624%0.24CC..Hα-helixtrans-65.3-44.9175.7-68.8172.3000111.1F509 C512 R513 L516 P559 T560 V561 Q565 R566 I567F509-L563 HydrophobicContact CD2-CD1 3.56Å; F509-L563 HydrophobicContact CE2-CD1 3.46Å; F509-L563 VanDerWaalsContact CE2-CD1 3.46Å; F509-L563 HydrophobicContact CG-CD1 4.48Å; F509-L563 HydrophobicContact CZ-CD1 4.33Å; C512-L563 HydrophobicContact CB-CB 3.84Å; C512-L563 HydrophobicContact CB-CD1 3.98Å; R513-L563 HydrophobicContact CG-CD1 3.55Å; R513-L563 HydrophobicContact CG-CD2 4.48Å; L516-L563 HydrophobicContact CD2-CD2 3.51Å; P559-L563 WeakPolarHBondContact O-CG 3.48Å; P559-L563 PolarHBondContact O-N 3.24Å; P559-L563 VanDerWaalsContact O-N 3.16Å; T560-L563 WeakPolarHBondContact O-CB 3.32Å; T560-L563 PolarHBondContact O-N 2.77Å; T560-L563 VanDerWaalsContact O-N 3.08Å; V561-L563 VanDerWaalsContact C-N 3.33Å; V561-L563 PolarHBondContact O-N 2.82Å; L563-Q565 VanDerWaalsContact C-N 3.35Å; L563-Q565 PolarHBondContact O-N 3.43Å; L563-R566 PolarHBondContact O-N 2.84Å; L563-I567 WeakPolarHBondContact O-CD1 3.49Å; L563-I567 VanDerWaalsContact O-CG1 3.23Å; L563-I567 WeakPolarHBondContact O-CG1 3.3Å; L563-I567 PolarHBondContact O-N 3.38Å
564V95.9Very high91Very high1 Ų150.2 Ų50.21%0.00624%0.239CC..Hα-helixtrans-57-491761710000110.5L492 V541 A546 T560 V561 R566 I567 V568L492-V564 HydrophobicContact CD1-CG2 4.27Å; V541-V564 HydrophobicContact CG1-CG1 3.73Å; A546-V564 HydrophobicContact CB-CG2 4.1Å; T560-V564 WeakPolarHBondContact O-CG2 3.46Å; T560-V564 PolarHBondContact O-N 3.31Å; V561-V564 PolarHBondContact O-N 2.95Å; V564-R566 VanDerWaalsContact C-N 3.31Å; V564-R566 PolarHBondContact O-N 2.75Å; V564-I567 PolarHBondContact O-N 3.02Å; V564-V568 HydrophobicContact CG1-CG2 4.31Å; V564-V568 WeakPolarHBondContact O-CG2 3.43Å; V564-V568 PolarHBondContact O-N 2.81Å
565Q95.1Very high90.9Very high109 Ų10952.2 Ų52.251%0.50925%0.248SC..Hα-helixtrans-56.1-44.6177.2-172.4-178.18.900112.3P543 V561 L563 T569P543-Q565 HydrophobicContact CG-CB 4.02Å; P543-Q565 HydrophobicContact CG-CG 4.28Å; V561-Q565 PolarHBondContact O-N 3.03Å; L563-Q565 VanDerWaalsContact C-N 3.35Å; L563-Q565 PolarHBondContact O-N 3.43Å; Q565-T569 WeakPolarHBondContact O-CB 3.48Å; Q565-T569 PolarHBondContact O-N 3.22Å; Q565-T569 PolarHBondContact O-OG1 3.35Å
566R95.3Very high90.8Very high152 Ų15252.4 Ų52.457%0.57425%0.245SC*.Hα-helixtrans-64.8-42.7177.3-79.3-178.6151-170-3.6112.8L516 R562 L563 V564 T569 L570L516-R566 HydrophobicContact CD1-CB 4.15Å; R562-R566 WeakPolarHBondContact O-CG 3.07Å; R562-R566 PolarHBondContact O-N 2.68Å; R562-R566 VanDerWaalsContact O-N 3.1Å; L563-R566 PolarHBondContact O-N 2.84Å; V564-R566 VanDerWaalsContact C-N 3.31Å; V564-R566 PolarHBondContact O-N 2.75Å; R566-T569 PolarHBondContact O-N 3.24Å; R566-L570 WeakPolarHBondContact O-CG 3.24Å; R566-L570 PolarHBondContact O-N 2.7Å
567I96Very high90.6Very high1 Ų155.3 Ų55.31%0.00526%0.259CS..Hα-helixtrans-62.7-50.5179.1-68.4161.8000110.1C512 L515 L516 L519 F537 L563 V564 T569 L570 I571C512-I567 HydrophobicContact CB-CD1 3.8Å; C512-I567 VanDerWaalsContact O-CD1 3.3Å; C512-I567 WeakPolarHBondContact O-CD1 3.25Å; L515-I567 HydrophobicContact CB-CD1 4.44Å; L516-I567 HydrophobicContact CB-CD1 4.41Å; L516-I567 HydrophobicContact CB-CG1 3.98Å; L516-I567 HydrophobicContact CD1-CG1 4.25Å; L519-I567 HydrophobicContact CD1-CB 4.36Å; L519-I567 HydrophobicContact CD1-CG1 4.44Å; L519-I567 HydrophobicContact CD1-CG2 3.82Å; F537-I567 HydrophobicContact CD1-CG2 3.91Å; F537-I567 HydrophobicContact CE1-CG2 3.46Å; F537-I567 VanDerWaalsContact CE1-CG2 3.46Å; F537-I567 HydrophobicContact CZ-CG2 4.42Å; L563-I567 WeakPolarHBondContact O-CD1 3.49Å; L563-I567 VanDerWaalsContact O-CG1 3.23Å; L563-I567 WeakPolarHBondContact O-CG1 3.3Å; L563-I567 PolarHBondContact O-N 3.38Å; V564-I567 PolarHBondContact O-N 3.02Å; I567-T569 VanDerWaalsContact C-N 3.29Å; I567-T569 PolarHBondContact O-N 2.92Å; I567-L570 PolarHBondContact O-N 3.07Å; I567-L570 VanDerWaalsContact O-N 3.1Å; I567-I571 HydrophobicContact CG2-CD1 3.64Å; I567-I571 HydrophobicContact CG2-CG1 4.36Å; I567-I571 WeakPolarHBondContact O-CG1 3.3Å; I567-I571 PolarHBondContact O-N 3.07Å
568V94.3Very high90.4Very high16 Ų1657.8 Ų57.810%0.09727%0.269CS..Hα-helixtrans-56.8-45177.7173.30000110.6F537 V541 V564 L570 I571 Q572F537-V568 HydrophobicContact CD1-CG2 4.39Å; V541-V568 HydrophobicContact CB-CG2 4.46Å; V541-V568 HydrophobicContact CG1-CG2 3.95Å; V541-V568 VanDerWaalsContact O-CG2 3.31Å; V541-V568 WeakPolarHBondContact O-CG2 3.16Å; V564-V568 HydrophobicContact CG1-CG2 4.31Å; V564-V568 WeakPolarHBondContact O-CG2 3.43Å; V564-V568 PolarHBondContact O-N 2.81Å; V568-L570 VanDerWaalsContact C-N 3.34Å; V568-L570 PolarHBondContact O-N 2.88Å; V568-I571 PolarHBondContact O-N 3.1Å; V568-Q572 HydrophobicContact CG1-CG 4.34Å; V568-Q572 VanDerWaalsContact CG1-NE2 3.29Å; V568-Q572 WeakPolarHBondContact O-CB 3.25Å; V568-Q572 VanDerWaalsContact O-CG 3.25Å; V568-Q572 WeakPolarHBondContact O-CG 3.44Å; V568-Q572 PolarHBondContact O-N 3.44Å
569T94.1Very high90.4Very high53 Ų5354.7 Ų54.733%0.32526%0.256SS..Hα-helixtrans-59.4-42.4177.2-56.30000112.3Q565 R566 I567 R573Q565-T569 WeakPolarHBondContact O-CB 3.48Å; Q565-T569 PolarHBondContact O-N 3.22Å; Q565-T569 PolarHBondContact O-OG1 3.35Å; R566-T569 PolarHBondContact O-N 3.24Å; I567-T569 VanDerWaalsContact C-N 3.29Å; I567-T569 PolarHBondContact O-N 2.92Å; T569-R573 WeakPolarHBondContact O-CG 3.38Å; T569-R573 PolarHBondContact O-N 3.02Å
570L94.3Very high90.2Very high42 Ų4257.2 Ų57.222%0.2227%0.266CS..Hα-helixtrans-74.8-33.1-179.2-71.9173.1000113.1L516 L519 Q520 Q530 R566 I567 V568L516-L570 HydrophobicContact CD1-CD1 3.58Å; L519-L570 HydrophobicContact CB-CB 4.41Å; L519-L570 HydrophobicContact CB-CD1 4.1Å; L519-L570 HydrophobicContact CD1-CB 4.23Å; Q520-L570 HydrophobicContact CG-CD1 3.85Å; Q530-L570 PolarHBondContact NE2-O 3.21Å; Q530-L570 VanDerWaalsContact NE2-O 3.07Å; R566-L570 WeakPolarHBondContact O-CG 3.24Å; R566-L570 PolarHBondContact O-N 2.7Å; I567-L570 PolarHBondContact O-N 3.07Å; I567-L570 VanDerWaalsContact O-N 3.1Å; V568-L570 VanDerWaalsContact C-N 3.34Å; V568-L570 PolarHBondContact O-N 2.88Å
571I92.9Very high89.8Confident1 Ų161.3 Ų61.31%0.00529%0.285CS..Hα-helixtrans-70.2-35.6175.9-71174.7000110.8L519 R534 F537 I567 V568 S574L519-I571 HydrophobicContact CD1-CD1 4.21Å; L519-I571 HydrophobicContact CD1-CG1 3.87Å; L519-I571 HydrophobicContact CD2-CG1 3.86Å; R534-I571 HydrophobicContact CB-CG2 4.38Å; F537-I571 HydrophobicContact CB-CD1 4.17Å; F537-I571 HydrophobicContact CB-CG2 4.18Å; F537-I571 HydrophobicContact CD1-CD1 3.4Å; F537-I571 VanDerWaalsContact CD1-CD1 3.4Å; F537-I571 HydrophobicContact CD2-CD1 4.06Å; F537-I571 HydrophobicContact CE1-CD1 3.66Å; F537-I571 HydrophobicContact CE2-CD1 4.26Å; F537-I571 HydrophobicContact CG-CD1 3.6Å; F537-I571 HydrophobicContact CZ-CD1 4.06Å; I567-I571 HydrophobicContact CG2-CD1 3.64Å; I567-I571 HydrophobicContact CG2-CG1 4.36Å; I567-I571 WeakPolarHBondContact O-CG1 3.3Å; I567-I571 PolarHBondContact O-N 3.07Å; V568-I571 PolarHBondContact O-N 3.1Å; I571-S574 PolarHBondContact O-OG 3.48Å
572Q85.6Confident89.4Confident80 Ų8065 Ų6537%0.37430%0.301SS..Hα-helixtrans-82.3-15.1-177.6-69.8177.5-2.800114.7V568 S574V568-Q572 HydrophobicContact CG1-CG 4.34Å; V568-Q572 VanDerWaalsContact CG1-NE2 3.29Å; V568-Q572 WeakPolarHBondContact O-CB 3.25Å; V568-Q572 VanDerWaalsContact O-CG 3.25Å; V568-Q572 WeakPolarHBondContact O-CG 3.44Å; V568-Q572 PolarHBondContact O-N 3.44Å; Q572-S574 PolarHBondContact O-N 2.77Å
573R75.2Confident89.1Confident192 Ų19263.4 Ų63.473%0.72530%0.3SS*.THydrogen-bonded Turntrans-73.5-3.7-176.3-90.2174.5-179.5-1731.3115.2T569T569-R573 WeakPolarHBondContact O-CG 3.38Å; T569-R573 PolarHBondContact O-N 3.02Å
574S55.6Low88.6Confident90 Ų9067 Ų6763%0.62932%0.315SS*.  trans-93.80-179.962.20000113.6R534 I571 Q572R534-S574 PolarHBondContact NH1-O 3.27Å; R534-S574 PolarHBondContact NH2-O 2.76Å; I571-S574 PolarHBondContact O-OG 3.48Å; Q572-S574 PolarHBondContact O-N 2.77Å

Retrieved 574 of 574 residues in 1328.7 ms (Link to these results)