A0A5K4FBI2_SCHMA Loading...

Uncharacterized protein AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4FBI2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 437 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
1M37.1Very low67.8Low237 Ų237119.1 Ų119.1100%1.16761%0.612SS**  095.30-50.3-58.1167.200106
2S41Very low69.8Low111 Ų111109.2 Ų109.278%0.77656%0.561SS**  cis-151.7136.628.9-60.50000108.4N4S2-N4 PolarHBondContact O-N 2.94Å
3N47Very low71.4Confident138 Ų138110.2 Ų110.274%0.73856%0.562SS**  trans-21.8101.9175.8-73.3-10.6000117.2Q5N3-Q5 HydrophobicContact CB-CB 4.46Å; N3-Q5 HydrophobicContact CB-CG 3.66Å; N3-Q5 PolarHBondContact O-N 2.69Å
4N50.5Low72.8Confident171 Ų171104.7 Ų104.791%0.91453%0.534SS*.  trans-74.452.8158.1-81.2-9.4000110.2S2 N6S2-N4 PolarHBondContact O-N 2.94Å; N4-N6 PolarHBondContact O-N 3.1Å
5Q60.2Low73.9Confident144 Ų14498.9 Ų98.967%0.67350%0.504SS*.  trans-65.7121171.8-71.7-93.3-20.600107N3 I7N3-Q5 HydrophobicContact CB-CB 4.46Å; N3-Q5 HydrophobicContact CB-CG 3.66Å; N3-Q5 PolarHBondContact O-N 2.69Å; Q5-I7 PolarHBondContact O-N 2.87Å
6N74.8Confident74.8Confident161 Ų16198.7 Ų98.786%0.86150%0.5SS*.  trans-37.9101.5-179.5-157.9-1.3000111N4 P8N4-N6 PolarHBondContact O-N 3.1Å; N6-P8 VanDerWaalsContact O-CD 3.31Å; N6-P8 WeakPolarHBondContact O-CD 3.32Å
7I79.5Confident75.6Confident100 Ų10096.6 Ų96.651%0.51349%0.491SS..  trans-67.9117.2-173.3-62.4171.2000107.1Q5 R9 Y25 T28Q5-I7 PolarHBondContact O-N 2.87Å; I7-R9 PolarHBondContact O-N 3.11Å; I7-Y25 HydrophobicContact CG2-CD2 4.34Å; I7-Y25 HydrophobicContact CG2-CE2 4.4Å; I7-T28 HydrophobicContact CG2-CG2 3.56Å
8P83.4Confident76.3Confident47 Ų4797.8 Ų97.831%0.30551%0.506SS..  trans-61.6136.3-178.922.7-30.8000109.7N6 I10 F20 T28N6-P8 VanDerWaalsContact O-CD 3.31Å; N6-P8 WeakPolarHBondContact O-CD 3.32Å; P8-I10 HydrophobicContact CB-CD1 4.41Å; P8-I10 HydrophobicContact CB-CG1 4.24Å; P8-I10 HydrophobicContact CG-CD1 4.09Å; P8-I10 HydrophobicContact CG-CG1 4.43Å; P8-I10 PolarHBondContact O-N 2.96Å; P8-F20 HydrophobicContact CB-CD1 4.16Å; P8-F20 HydrophobicContact CB-CE1 3.79Å; P8-T28 WeakPolarHBondContact O-CB 3.45Å; P8-T28 WeakPolarHBondContact O-CG2 3.29Å; P8-T28 PolarHBondContact O-OG1 3.31Å
9R88.4Confident76.8Confident186 Ų18699.8 Ų99.870%0.70251%0.513SS*.  trans-80.599.1178.9-173.5179.4176.8-160.7-1.6110I7 N14 T28I7-R9 PolarHBondContact O-N 3.11Å; R9-N14 PolarHBondContact O-ND2 3.46Å; R9-T28 WeakPolarHBondContact CA-OG1 3.4Å
10I91.4Very high77.4Confident2 Ų296.3 Ų96.31%0.0149%0.494CS..  trans-112.7119.9-177.3-50170.2000108.4P8 N14 F15 F20 S23 Y25 V26 L27 T28 S29P8-I10 HydrophobicContact CB-CD1 4.41Å; P8-I10 HydrophobicContact CB-CG1 4.24Å; P8-I10 HydrophobicContact CG-CD1 4.09Å; P8-I10 HydrophobicContact CG-CG1 4.43Å; P8-I10 PolarHBondContact O-N 2.96Å; I10-N14 VanDerWaalsContact CA-OD1 3.31Å; I10-N14 WeakPolarHBondContact CA-OD1 3.37Å; I10-F15 HydrophobicContact CG2-CB 3.61Å; I10-F20 HydrophobicContact CD1-CB 4.07Å; I10-F20 HydrophobicContact CD1-CD1 3.9Å; I10-F20 HydrophobicContact CD1-CG 4Å; I10-F20 HydrophobicContact CG1-CB 4.39Å; I10-F20 HydrophobicContact CG1-CD1 3.73Å; I10-F20 HydrophobicContact CG1-CD2 4.18Å; I10-F20 HydrophobicContact CG1-CE1 4.01Å; I10-F20 HydrophobicContact CG1-CE2 4.41Å; I10-F20 HydrophobicContact CG1-CG 3.83Å; I10-F20 HydrophobicContact CG1-CZ 4.33Å; I10-F20 HydrophobicContact CG2-CD2 4.34Å; I10-S23 WeakPolarHBondContact CD1-OG 3.35Å; I10-Y25 WeakPolarHBondContact CD1-O 3.3Å; I10-V26 WeakPolarHBondContact CG2-O 3.25Å; I10-L27 HydrophobicContact CG2-CD2 4.43Å; I10-T28 HydrophobicContact CD1-CG2 4.48Å; I10-T28 PolarHBondContact N-OG1 3.33Å; I10-T28 PolarHBondContact O-N 3.44Å; I10-S29 WeakPolarHBondContact O-CB 3.23Å; I10-S29 PolarHBondContact O-N 3.19Å
11D92.2Very high77.7Confident13 Ų1396.8 Ų96.87%0.0750%0.501CS..  trans-126.3174.9179.96921000111.9E13 N14 F15 S32 R88D11-E13 PolarHBondContact O-N 2.85Å; D11-E13 WeakPolarHBondContact OD1-CB 3.37Å; D11-E13 PolarHBondContact OD1-N 3.13Å; D11-N14 PolarHBondContact N-OD1 2.87Å; D11-N14 PolarHBondContact O-N 3.41Å; D11-N14 PolarHBondContact O-OD1 2.92Å; D11-N14 VanDerWaalsContact OD1-CG 3.23Å; D11-N14 PolarHBondContact OD1-N 3.48Å; D11-N14 PolarHBondContact OD1-OD1 3.35Å; D11-N14 VanDerWaalsContact OD1-OD1 3.13Å; D11-F15 VanDerWaalsContact O-CB 3.29Å; D11-F15 WeakPolarHBondContact O-CB 3.46Å; D11-F15 PolarHBondContact O-N 2.85Å; D11-S32 WeakPolarHBondContact CA-OG 3.03Å; D11-S32 WeakPolarHBondContact CB-OG 3.34Å; D11-R88 IonicContact OD2-CZ 3.34Å; D11-R88 IonicContact OD2-NH2 3.7Å; D11-R88 PolarHBondContact OD2-NH2 3.4Å
12L92.6Very high79.9Confident0 Ų093.2 Ų93.20%049%0.487CS..THydrogen-bonded Turntrans-65.5-9.6-176.8-70.2162.7000114.5F15 L27 S32 A35 L46 L81 A84 R85 R88L12-F15 WeakPolarHBondContact O-CD1 3.28Å; L12-F15 WeakPolarHBondContact O-CE1 3.25Å; L12-L27 HydrophobicContact CD2-CD1 4.03Å; L12-L27 HydrophobicContact CD2-CD2 4.43Å; L12-L27 HydrophobicContact CG-CD1 4.43Å; L12-L27 HydrophobicContact CG-CD2 4.49Å; L12-S32 PolarHBondContact N-OG 2.85Å; L12-A35 HydrophobicContact CD1-CB 4.32Å; L12-L46 HydrophobicContact CD2-CD1 3.54Å; L12-L81 HydrophobicContact CD2-CD1 3.91Å; L12-A84 HydrophobicContact CD1-CB 3.75Å; L12-A84 WeakPolarHBondContact CD1-O 3.14Å; L12-A84 HydrophobicContact CD2-CB 3.98Å; L12-R85 HydrophobicContact CB-CG 3.96Å; L12-R85 PolarHBondContact O-NE 3.47Å; L12-R85 PolarHBondContact O-NH2 2.91Å; L12-R85 VanDerWaalsContact O-NH2 3.09Å; L12-R88 HydrophobicContact CD1-CB 4.03Å
13E90.1Very high82.1Confident123 Ų12389.7 Ų89.758%0.57546%0.462SS*.THydrogen-bonded Turntrans-95.2-36.3178.2-73.7166.7177.400111.6D11 R88D11-E13 PolarHBondContact O-N 2.85Å; D11-E13 WeakPolarHBondContact OD1-CB 3.37Å; D11-E13 PolarHBondContact OD1-N 3.13Å; E13-R88 IonicContact OE1-CZ 2.74Å; E13-R88 IonicContact OE1-NH1 2.87Å; E13-R88 PolarHBondContact OE1-NH1 3.24Å; E13-R88 IonicContact OE2-CZ 3.52Å; E13-R88 IonicContact OE2-NH1 2.84Å; E13-R88 PolarHBondContact OE2-NH1 2.91Å; E13-R88 IonicContact OE2-NH2 3.72Å; E13-R88 PolarHBondContact OE2-NH2 3.33Å
14N90.4Very high84.1Confident33 Ų3392 Ų9218%0.17647%0.466CS..THydrogen-bonded Turntrans-106.2-5.2-175.974.75.5000115.1R9 I10 D11 E16 D17 F20R9-N14 PolarHBondContact O-ND2 3.46Å; I10-N14 VanDerWaalsContact CA-OD1 3.31Å; I10-N14 WeakPolarHBondContact CA-OD1 3.37Å; D11-N14 PolarHBondContact N-OD1 2.87Å; D11-N14 PolarHBondContact O-N 3.41Å; D11-N14 PolarHBondContact O-OD1 2.92Å; D11-N14 VanDerWaalsContact OD1-CG 3.23Å; D11-N14 PolarHBondContact OD1-N 3.48Å; D11-N14 PolarHBondContact OD1-OD1 3.35Å; D11-N14 VanDerWaalsContact OD1-OD1 3.13Å; N14-E16 PolarHBondContact O-N 2.84Å; N14-E16 VanDerWaalsContact O-N 3.1Å; N14-D17 VanDerWaalsContact O-CB 3.29Å; N14-D17 WeakPolarHBondContact O-CB 3.49Å; N14-D17 VanDerWaalsContact O-CG 3.27Å; N14-D17 PolarHBondContact O-N 3.16Å; N14-F20 HydrophobicContact CB-CE2 4.24Å; N14-F20 WeakPolarHBondContact O-CD2 3.4Å
15F89.9Confident86Confident18 Ų1889 Ų898%0.07944%0.443CS..THydrogen-bonded Turntrans-63.5-18.1-174.982-72.4000115.5I10 D11 L12 D17 L27 L46 L81I10-F15 HydrophobicContact CG2-CB 3.61Å; D11-F15 VanDerWaalsContact O-CB 3.29Å; D11-F15 WeakPolarHBondContact O-CB 3.46Å; D11-F15 PolarHBondContact O-N 2.85Å; L12-F15 WeakPolarHBondContact O-CD1 3.28Å; L12-F15 WeakPolarHBondContact O-CE1 3.25Å; F15-D17 VanDerWaalsContact C-N 3.33Å; F15-L27 HydrophobicContact CB-CD2 4.11Å; F15-L46 HydrophobicContact CE2-CB 4.35Å; F15-L81 HydrophobicContact CD1-CD1 4.4Å; F15-L81 HydrophobicContact CE1-CD1 3.33Å; F15-L81 HydrophobicContact CE1-CD2 3.81Å; F15-L81 HydrophobicContact CE1-CG 4.17Å; F15-L81 HydrophobicContact CZ-CD1 3.42Å; F15-L81 VanDerWaalsContact CZ-CD1 3.42Å; F15-L81 HydrophobicContact CZ-CD2 3.64Å; F15-L81 HydrophobicContact CZ-CG 4.16Å
16E88.2Confident87.4Confident95 Ų9584.1 Ų84.144%0.44442%0.422SS..THydrogen-bonded Turntrans-89.21176-64.9-176.9154.200112.6N14 R77N14-E16 PolarHBondContact O-N 2.84Å; N14-E16 VanDerWaalsContact O-N 3.1Å; E16-R77 IonicContact OE1-CZ 3.69Å; E16-R77 IonicContact OE1-NH1 2.61Å; E16-R77 PolarHBondContact OE1-NH1 3.47Å; E16-R77 IonicContact OE1-NH2 3.01Å; E16-R77 PolarHBondContact OE1-NH2 3.42Å
17D88.1Confident88.3Confident64 Ų6477.1 Ų77.134%0.34239%0.385SS..SBendtrans-68.5139.8179.4-68.9-18.9000111.3N14 F15 Q19 F20N14-D17 VanDerWaalsContact O-CB 3.29Å; N14-D17 WeakPolarHBondContact O-CB 3.49Å; N14-D17 VanDerWaalsContact O-CG 3.27Å; N14-D17 PolarHBondContact O-N 3.16Å; F15-D17 VanDerWaalsContact C-N 3.33Å; D17-Q19 HydrophobicContact CB-CG 3.86Å; D17-Q19 PolarHBondContact O-N 2.87Å; D17-Q19 PolarHBondContact OD2-NE2 2.64Å; D17-F20 HydrophobicContact CB-CD2 4.12Å; D17-F20 HydrophobicContact CB-CE2 4.39Å; D17-F20 PolarHBondContact O-N 2.81Å
18P88.5Confident88.9Confident117 Ų11773.9 Ų73.976%0.7637%0.37SS*.G310 helixtrans-55.5-27.2-179.7-26.133.4000114.3F20 T21P18-F20 PolarHBondContact O-N 2.95Å; P18-T21 PolarHBondContact O-N 3.42Å; P18-T21 PolarHBondContact O-OG1 2.93Å
19Q86.8Confident89.3Confident137 Ų13772 Ų7264%0.6436%0.358SS*.G310 helixtrans-64.2-21.6179.266-175.6-23.500113.9D17D17-Q19 HydrophobicContact CB-CG 3.86Å; D17-Q19 PolarHBondContact O-N 2.87Å; D17-Q19 PolarHBondContact OD2-NE2 2.64Å
20F86.9Confident89.5Confident29 Ų2968 Ų6813%0.12736%0.356CS..G310 helixtrans-108.91-178-54.6-54.1000113.7P8 I10 N14 D17 P18 D22 S23P8-F20 HydrophobicContact CB-CD1 4.16Å; P8-F20 HydrophobicContact CB-CE1 3.79Å; I10-F20 HydrophobicContact CD1-CB 4.07Å; I10-F20 HydrophobicContact CD1-CD1 3.9Å; I10-F20 HydrophobicContact CD1-CG 4Å; I10-F20 HydrophobicContact CG1-CB 4.39Å; I10-F20 HydrophobicContact CG1-CD1 3.73Å; I10-F20 HydrophobicContact CG1-CD2 4.18Å; I10-F20 HydrophobicContact CG1-CE1 4.01Å; I10-F20 HydrophobicContact CG1-CE2 4.41Å; I10-F20 HydrophobicContact CG1-CG 3.83Å; I10-F20 HydrophobicContact CG1-CZ 4.33Å; I10-F20 HydrophobicContact CG2-CD2 4.34Å; N14-F20 HydrophobicContact CB-CE2 4.24Å; N14-F20 WeakPolarHBondContact O-CD2 3.4Å; D17-F20 HydrophobicContact CB-CD2 4.12Å; D17-F20 HydrophobicContact CB-CE2 4.39Å; D17-F20 PolarHBondContact O-N 2.81Å; P18-F20 PolarHBondContact O-N 2.95Å; F20-D22 VanDerWaalsContact C-N 3.28Å; F20-D22 PolarHBondContact O-N 2.91Å; F20-S23 WeakPolarHBondContact O-CB 3.45Å; F20-S23 PolarHBondContact O-N 3.31Å; F20-S23 PolarHBondContact O-OG 3.39Å
21T83.9Confident89.6Confident106 Ų10671.8 Ų71.865%0.6537%0.37SS*.THydrogen-bonded Turntrans-59.5-38.6-176.2-57.40000112.3P18P18-T21 PolarHBondContact O-N 3.42Å; P18-T21 PolarHBondContact O-OG1 2.93Å
22D85.1Confident89.7Confident162 Ų16271.1 Ų71.187%0.86637%0.367SS*.THydrogen-bonded Turntrans-97.510.8178.9-61.1-31.2000113.1F20F20-D22 VanDerWaalsContact C-N 3.28Å; F20-D22 PolarHBondContact O-N 2.91Å
23S85.9Confident89.9Confident38 Ų3874.6 Ų74.627%0.26639%0.385SS..  trans-76.1146.8-179.177.10000111.7I10 F20 Y25I10-S23 WeakPolarHBondContact CD1-OG 3.35Å; F20-S23 WeakPolarHBondContact O-CB 3.45Å; F20-S23 PolarHBondContact O-N 3.31Å; F20-S23 PolarHBondContact O-OG 3.39Å; S23-Y25 PolarHBondContact O-N 3.21Å; S23-Y25 PolarHBondContact OG-O 2.79Å; S23-Y25 VanDerWaalsContact OG-O 3.06Å
24K89.6Confident90.1Very high187 Ų18771.7 Ų71.781%0.81337%0.371SS*.SBendtrans-67.5-22.2-179-174.6177.5178.3-176.10113.5
25Y89.7Confident90.3Very high108 Ų10870.1 Ų70.142%0.42436%0.363SS..  trans-112.7139.8-172.7-57.1-77.6000110.3I7 I10 S23 T28I7-Y25 HydrophobicContact CG2-CD2 4.34Å; I7-Y25 HydrophobicContact CG2-CE2 4.4Å; I10-Y25 WeakPolarHBondContact CD1-O 3.3Å; S23-Y25 PolarHBondContact O-N 3.21Å; S23-Y25 PolarHBondContact OG-O 2.79Å; S23-Y25 VanDerWaalsContact OG-O 3.06Å; Y25-T28 HydrophobicContact CD2-CG2 4.4Å; Y25-T28 HydrophobicContact CG-CG2 4.02Å
26V90.8Very high90.6Very high41 Ų4169.3 Ų69.325%0.24836%0.359CS..SBendtrans-84.6-43.9179.1-1790000112.1I10 P43 V44 L47I10-V26 WeakPolarHBondContact CG2-O 3.25Å; V26-P43 HydrophobicContact CB-CB 4.19Å; V26-P43 HydrophobicContact CG1-CB 3.89Å; V26-P43 WeakPolarHBondContact CG1-O 3.36Å; V26-V44 HydrophobicContact CG2-CG2 4.39Å; V26-L47 HydrophobicContact CG1-CD1 4.27Å; V26-L47 HydrophobicContact CG1-CD2 3.87Å; V26-L47 HydrophobicContact CG1-CG 3.97Å; V26-L47 HydrophobicContact CG2-CD1 3.92Å
27L93.7Very high91Very high14 Ų1468 Ų687%0.07336%0.361CS..  trans-141.4138.7175.4-71.7175.9000107.8I10 L12 F15 L33 P43I10-L27 HydrophobicContact CG2-CD2 4.43Å; L12-L27 HydrophobicContact CD2-CD1 4.03Å; L12-L27 HydrophobicContact CD2-CD2 4.43Å; L12-L27 HydrophobicContact CG-CD1 4.43Å; L12-L27 HydrophobicContact CG-CD2 4.49Å; F15-L27 HydrophobicContact CB-CD2 4.11Å; L27-L33 HydrophobicContact CB-CD2 3.85Å; L27-L33 HydrophobicContact CB-CG 4.28Å; L27-P43 HydrophobicContact CD1-CB 3.95Å; L27-P43 HydrophobicContact CD1-CG 4.2Å; L27-P43 HydrophobicContact CG-CB 4.28Å
28T92.2Very high91.3Very high31 Ų3170 Ų7019%0.1937%0.368CS..  trans-127.2-12.7178.962.60000112.3I7 P8 R9 I10 Y25 P30I7-T28 HydrophobicContact CG2-CG2 3.56Å; P8-T28 WeakPolarHBondContact O-CB 3.45Å; P8-T28 WeakPolarHBondContact O-CG2 3.29Å; P8-T28 PolarHBondContact O-OG1 3.31Å; R9-T28 WeakPolarHBondContact CA-OG1 3.4Å; I10-T28 HydrophobicContact CD1-CG2 4.48Å; I10-T28 PolarHBondContact N-OG1 3.33Å; I10-T28 PolarHBondContact O-N 3.44Å; Y25-T28 HydrophobicContact CD2-CG2 4.4Å; Y25-T28 HydrophobicContact CG-CG2 4.02Å; T28-P30 WeakPolarHBondContact O-CD 3.47Å
29S91.4Very high91.6Very high9 Ų967.2 Ų67.26%0.06335%0.346CS..  trans-71.5119.4175173.40000111.2I10 R31 S32 L33I10-S29 WeakPolarHBondContact O-CB 3.23Å; I10-S29 PolarHBondContact O-N 3.19Å; S29-R31 VanDerWaalsContact C-N 3.33Å; S29-R31 PolarHBondContact O-N 3.43Å; S29-S32 WeakPolarHBondContact CB-OG 3.31Å; S29-S32 WeakPolarHBondContact O-CB 3.36Å; S29-S32 PolarHBondContact O-N 3.37Å; S29-S32 PolarHBondContact OG-OG 2.86Å; S29-L33 PolarHBondContact O-N 3.37Å
30P92.3Very high92Very high102 Ų10269.2 Ų69.266%0.66235%0.353SS*.Hα-helixtrans-53.9-45.4-178.4-28.335.4000113.3T28 S32 L33 E34T28-P30 WeakPolarHBondContact O-CD 3.47Å; P30-S32 VanDerWaalsContact C-N 3.26Å; P30-S32 PolarHBondContact O-N 3.21Å; P30-L33 PolarHBondContact O-N 3.39Å; P30-E34 WeakPolarHBondContact O-CB 3.24Å; P30-E34 PolarHBondContact O-N 3.44Å
31R92.9Very high92.4Very high80 Ų8068.7 Ų68.730%0.30235%0.351SS..Hα-helixtrans-63.8-30.3178.1-68.3-63.4-179.5-154.6-4.3113.6S29 E34 A35 D95S29-R31 VanDerWaalsContact C-N 3.33Å; S29-R31 PolarHBondContact O-N 3.43Å; R31-E34 WeakPolarHBondContact CD-OE2 3.25Å; R31-E34 IonicContact CZ-OE2 2.69Å; R31-E34 IonicContact NE-OE2 2.8Å; R31-E34 IonicContact NH1-OE1 3.02Å; R31-E34 PolarHBondContact NH1-OE1 3.09Å; R31-E34 IonicContact NH1-OE2 3.76Å; R31-E34 PolarHBondContact NH1-OE2 3.38Å; R31-A35 WeakPolarHBondContact O-CB 3.44Å; R31-A35 PolarHBondContact O-N 2.9Å; R31-A35 VanDerWaalsContact O-N 3.1Å; R31-D95 VanDerWaalsContact CZ-CG 3.48Å; R31-D95 IonicContact CZ-OD1 2.72Å; R31-D95 VanDerWaalsContact CZ-OD1 3.24Å; R31-D95 IonicContact CZ-OD2 3.97Å; R31-D95 IonicContact NE-OD1 3.93Å; R31-D95 IonicContact NE-OD2 3.83Å; R31-D95 PolarHBondContact NE-OD2 2.73Å; R31-D95 IonicContact NH1-OD1 3.98Å; R31-D95 IonicContact NH2-OD1 3.39Å; R31-D95 PolarHBondContact NH2-OD1 3.49Å; R31-D95 IonicContact NH2-OD2 2.85Å; R31-D95 PolarHBondContact NH2-OD2 3.13Å
32S95.1Very high92.9Very high0 Ų069.1 Ų69.10%035%0.349CS..Hα-helixtrans-74.2-40.3176.4-57.60000111.4D11 L12 S29 P30 A35 C36 R88D11-S32 WeakPolarHBondContact CA-OG 3.03Å; D11-S32 WeakPolarHBondContact CB-OG 3.34Å; L12-S32 PolarHBondContact N-OG 2.85Å; S29-S32 WeakPolarHBondContact CB-OG 3.31Å; S29-S32 WeakPolarHBondContact O-CB 3.36Å; S29-S32 PolarHBondContact O-N 3.37Å; S29-S32 PolarHBondContact OG-OG 2.86Å; P30-S32 VanDerWaalsContact C-N 3.26Å; P30-S32 PolarHBondContact O-N 3.21Å; S32-A35 PolarHBondContact O-N 2.81Å; S32-C36 PolarHBondContact O-N 3Å; S32-C36 VanDerWaalsContact O-N 3.1Å; S32-C36 PolarHBondContact O-SG 3.11Å; S32-R88 WeakPolarHBondContact OG-CD 3.38Å; S32-R88 PolarHBondContact OG-NE 3.43Å
33L95.4Very high93.3Very high72 Ų7263 Ų6338%0.37732%0.318SS..Hα-helixtrans-66.5-40.1175.4-70.6171.2000111.6L27 S29 P30 C36 S37 P43L27-L33 HydrophobicContact CB-CD2 3.85Å; L27-L33 HydrophobicContact CB-CG 4.28Å; S29-L33 PolarHBondContact O-N 3.37Å; P30-L33 PolarHBondContact O-N 3.39Å; L33-C36 PolarHBondContact O-N 2.81Å; L33-S37 WeakPolarHBondContact O-CB 3.48Å; L33-S37 PolarHBondContact O-N 2.92Å; L33-P43 HydrophobicContact CD2-CG 3.92Å
34E95.3Very high93.6Very high63 Ų6365.5 Ų65.529%0.29433%0.331SS..Hα-helixtrans-61.9-46.8174.8-171.8-178.9-167.100111.7P30 R31 C36 S37 H38 L91P30-E34 WeakPolarHBondContact O-CB 3.24Å; P30-E34 PolarHBondContact O-N 3.44Å; R31-E34 WeakPolarHBondContact CD-OE2 3.25Å; R31-E34 IonicContact CZ-OE2 2.69Å; R31-E34 IonicContact NE-OE2 2.8Å; R31-E34 IonicContact NH1-OE1 3.02Å; R31-E34 PolarHBondContact NH1-OE1 3.09Å; R31-E34 IonicContact NH1-OE2 3.76Å; R31-E34 PolarHBondContact NH1-OE2 3.38Å; E34-C36 VanDerWaalsContact C-N 3.31Å; E34-C36 PolarHBondContact O-N 3.4Å; E34-S37 WeakPolarHBondContact O-CB 3.41Å; E34-S37 PolarHBondContact O-N 3.44Å; E34-S37 VanDerWaalsContact O-N 3.07Å; E34-H38 PolarHBondContact O-N 2.87Å; E34-L91 HydrophobicContact CB-CD1 3.92Å; E34-L91 HydrophobicContact CG-CD1 3.72Å; E34-L91 HydrophobicContact CG-CD2 4.49Å
35A95.7Very high93.8Very high0 Ų059.3 Ų59.30%031%0.307CS..Hα-helixtrans-57.5-42.4174.600000112.5L12 R31 S32 L39 E87 R88 L91L12-A35 HydrophobicContact CD1-CB 4.32Å; R31-A35 WeakPolarHBondContact O-CB 3.44Å; R31-A35 PolarHBondContact O-N 2.9Å; R31-A35 VanDerWaalsContact O-N 3.1Å; S32-A35 PolarHBondContact O-N 2.81Å; A35-L39 WeakPolarHBondContact O-CG 3.41Å; A35-L39 PolarHBondContact O-N 2.82Å; A35-E87 HydrophobicContact CB-CB 3.86Å; A35-R88 HydrophobicContact CB-CB 4Å; A35-L91 HydrophobicContact CB-CD1 4.11Å
36C96.1Very high94Very high1 Ų154.3 Ų54.31%0.00729%0.288CS..Hα-helixtrans-65-39.9174.4-76.30000112.4S32 L33 E34 L39 K40 I41S32-C36 PolarHBondContact O-N 3Å; S32-C36 VanDerWaalsContact O-N 3.1Å; S32-C36 PolarHBondContact O-SG 3.11Å; L33-C36 PolarHBondContact O-N 2.81Å; E34-C36 VanDerWaalsContact C-N 3.31Å; E34-C36 PolarHBondContact O-N 3.4Å; C36-L39 PolarHBondContact O-N 3.33Å; C36-K40 PolarHBondContact O-N 2.88Å; C36-I41 WeakPolarHBondContact CB-O 3.35Å; C36-I41 PolarHBondContact O-N 3.28Å
37S95.6Very high94Very high68 Ų6855.6 Ų55.648%0.47629%0.293SS..Hα-helixtrans-64.2-43.2177.9-174.80000112.4L33 E34 L39 K40L33-S37 WeakPolarHBondContact O-CB 3.48Å; L33-S37 PolarHBondContact O-N 2.92Å; E34-S37 WeakPolarHBondContact O-CB 3.41Å; E34-S37 PolarHBondContact O-N 3.44Å; E34-S37 VanDerWaalsContact O-N 3.07Å; S37-L39 VanDerWaalsContact C-N 3.3Å; S37-L39 PolarHBondContact O-N 2.86Å; S37-K40 WeakPolarHBondContact O-CD 3.41Å; S37-K40 PolarHBondContact O-N 3.47Å; S37-K40 VanDerWaalsContact O-N 3.16Å
38H95.3Very high93.8Very high106 Ų10659.6 Ų59.649%0.49131%0.311SS..Hα-helixtrans-60.8-40.2176.4-71.2-179.9000112E34 K40E34-H38 PolarHBondContact O-N 2.87Å; H38-K40 VanDerWaalsContact C-N 3.32Å
39L94.1Very high93.8Very high57 Ų5761.4 Ų61.430%0.29832%0.316SS..THydrogen-bonded Turntrans-85.3-1.7179.3-63.5175.4000114.1A35 C36 S37 I41 K83 A84 E87A35-L39 WeakPolarHBondContact O-CG 3.41Å; A35-L39 PolarHBondContact O-N 2.82Å; C36-L39 PolarHBondContact O-N 3.33Å; S37-L39 VanDerWaalsContact C-N 3.3Å; S37-L39 PolarHBondContact O-N 2.86Å; L39-I41 HydrophobicContact CB-CD1 3.65Å; L39-I41 HydrophobicContact CB-CG1 3.83Å; L39-I41 HydrophobicContact CD1-CD1 3.85Å; L39-I41 HydrophobicContact CG-CD1 4.42Å; L39-I41 PolarHBondContact O-N 2.87Å; L39-K83 VanDerWaalsContact CD1-C 3.47Å; L39-K83 HydrophobicContact CD1-CB 3.76Å; L39-A84 HydrophobicContact CD1-CB 4.26Å; L39-E87 HydrophobicContact CD1-CB 4.2Å; L39-E87 HydrophobicContact CD1-CG 3.69Å; L39-E87 HydrophobicContact CD2-CG 3.76Å; L39-E87 HydrophobicContact CG-CB 4.48Å; L39-E87 HydrophobicContact CG-CG 3.72Å
40K96Very high93.7Very high180 Ų18063.6 Ų63.678%0.78333%0.332SS*.THydrogen-bonded Turntrans5237.8-172-54.1-63.5177.4-166.90112.5C36 S37 H38C36-K40 PolarHBondContact O-N 2.88Å; S37-K40 WeakPolarHBondContact O-CD 3.41Å; S37-K40 PolarHBondContact O-N 3.47Å; S37-K40 VanDerWaalsContact O-N 3.16Å; H38-K40 VanDerWaalsContact C-N 3.32Å
41I94.8Very high93.5Very high18 Ų1865 Ų659%0.09232%0.323CS..  trans-100.2124.3176-63.5169.4000108.3C36 L39 L46 K80C36-I41 WeakPolarHBondContact CB-O 3.35Å; C36-I41 PolarHBondContact O-N 3.28Å; L39-I41 HydrophobicContact CB-CD1 3.65Å; L39-I41 HydrophobicContact CB-CG1 3.83Å; L39-I41 HydrophobicContact CD1-CD1 3.85Å; L39-I41 HydrophobicContact CG-CD1 4.42Å; L39-I41 PolarHBondContact O-N 2.87Å; I41-L46 HydrophobicContact CG2-CD1 4.45Å; I41-L46 HydrophobicContact CG2-CD2 3.85Å; I41-L46 HydrophobicContact CG2-CG 4.03Å; I41-K80 HydrophobicContact CD1-CB 3.97Å; I41-K80 HydrophobicContact CD1-CG 4.11Å; I41-K80 HydrophobicContact CG1-CG 4.45Å; I41-K80 HydrophobicContact CG2-CD 4.33Å
42L94.9Very high93.4Very high115 Ų11564.3 Ų64.360%0.60234%0.335SS*.  trans-72.3132.9172.7-65.8172.3000109.6V44 D45L42-V44 PolarHBondContact O-N 2.94Å; L42-V44 VanDerWaalsContact O-N 3.12Å; L42-D45 WeakPolarHBondContact O-CB 3.49Å; L42-D45 PolarHBondContact O-N 3.48Å
43P93.2Very high93.1Very high32 Ų3268.4 Ų68.421%0.20835%0.354CS..G310 helixtrans-52.8-36176.9-30.837.1000113.6V26 L27 L33 D45 L46V26-P43 HydrophobicContact CB-CB 4.19Å; V26-P43 HydrophobicContact CG1-CB 3.89Å; V26-P43 WeakPolarHBondContact CG1-O 3.36Å; L27-P43 HydrophobicContact CD1-CB 3.95Å; L27-P43 HydrophobicContact CD1-CG 4.2Å; L27-P43 HydrophobicContact CG-CB 4.28Å; L33-P43 HydrophobicContact CD2-CG 3.92Å; P43-D45 PolarHBondContact O-N 3.21Å; P43-L46 WeakPolarHBondContact O-CB 3.31Å; P43-L46 PolarHBondContact O-N 3.35Å; P43-L46 VanDerWaalsContact O-N 3.1Å
44V92.6Very high92.7Very high92 Ų9266 Ų6656%0.55834%0.341SS*.G310 helixtrans-62-28.9177.8-175.50000112.5V26 L42 L46 L47V26-V44 HydrophobicContact CG2-CG2 4.39Å; L42-V44 PolarHBondContact O-N 2.94Å; L42-V44 VanDerWaalsContact O-N 3.12Å; V44-L46 PolarHBondContact O-N 2.86Å; V44-L47 PolarHBondContact O-N 3.44Å
45D92.4Very high92.3Very high57 Ų5766.3 Ų66.331%0.30534%0.344SS..G310 helixtrans-71.6-17.2178-82.9-1.5000113.3L42 P43 K80L42-D45 WeakPolarHBondContact O-CB 3.49Å; L42-D45 PolarHBondContact O-N 3.48Å; P43-D45 PolarHBondContact O-N 3.21Å; D45-K80 IonicContact OD2-NZ 3.67Å; D45-K80 PolarHBondContact OD2-NZ 3.29Å
46L93.4Very high92Very high2 Ų272.3 Ų72.31%0.0137%0.372CS..G310 helixtrans-83.9-16.6180-61178.1000112.5L12 F15 I41 P43 V44 R77 K80 L81L12-L46 HydrophobicContact CD2-CD1 3.54Å; F15-L46 HydrophobicContact CE2-CB 4.35Å; I41-L46 HydrophobicContact CG2-CD1 4.45Å; I41-L46 HydrophobicContact CG2-CD2 3.85Å; I41-L46 HydrophobicContact CG2-CG 4.03Å; P43-L46 WeakPolarHBondContact O-CB 3.31Å; P43-L46 PolarHBondContact O-N 3.35Å; P43-L46 VanDerWaalsContact O-N 3.1Å; V44-L46 PolarHBondContact O-N 2.86Å; L46-R77 WeakPolarHBondContact O-CD 3.49Å; L46-R77 PolarHBondContact O-NH1 2.88Å; L46-K80 HydrophobicContact CD2-CB 3.81Å; L46-L81 HydrophobicContact CD1-CD1 4.25Å; L46-L81 HydrophobicContact CD2-CB 4.21Å; L46-L81 HydrophobicContact CD2-CD1 4.33Å
47L91.7Very high91.6Very high68 Ų6880.5 Ų80.536%0.35640%0.403SS..SBendtrans-66.6137.5179.4-67.4177.7000111.3V26 V44 K49 R77V26-L47 HydrophobicContact CG1-CD1 4.27Å; V26-L47 HydrophobicContact CG1-CD2 3.87Å; V26-L47 HydrophobicContact CG1-CG 3.97Å; V26-L47 HydrophobicContact CG2-CD1 3.92Å; V44-L47 PolarHBondContact O-N 3.44Å; L47-K49 PolarHBondContact O-N 3.06Å; L47-R77 WeakPolarHBondContact O-CD 3.41Å
48H90.5Very high91.2Very high99 Ų9980.7 Ų80.746%0.45840%0.396SS..PPolyproline II helixtrans-66.6126.8174-179.759000109.9Y70 E74H48-Y70 PolarHBondContact CE1-OH 3.38Å; H48-Y70 VanDerWaalsContact CE1-OH 3.27Å; H48-E74 IonicContact CE1-OE1 3.39Å; H48-E74 IonicContact CE1-OE2 2.72Å; H48-E74 IonicContact CG-OE1 3.74Å; H48-E74 IonicContact ND1-OE1 2.98Å; H48-E74 PolarHBondContact ND1-OE1 2.92Å; H48-E74 IonicContact ND1-OE2 2.96Å; H48-E74 PolarHBondContact ND1-OE2 3.29Å
49K90.5Very high90.7Very high69 Ų6982.1 Ų82.130%0.340%0.4SS..PPolyproline II helixtrans-99.1122.2174.8-69.5175.9-175.5172.30107.9L47 F54 Y70L47-K49 PolarHBondContact O-N 3.06Å; K49-F54 HydrophobicContact CB-CD2 4.06Å; K49-F54 HydrophobicContact CB-CE2 3.7Å; K49-F54 HydrophobicContact CD-CE2 4Å; K49-F54 HydrophobicContact CG-CE2 4.5Å; K49-Y70 WeakPolarHBondContact O-CE2 3.23Å
50S90.2Very high90.4Very high55 Ų5589.5 Ų89.539%0.38543%0.43SS..PPolyproline II helixtrans-63150.2-176.674.10000111.2A52 E53 F54S50-A52 PolarHBondContact O-N 3.17Å; S50-E53 WeakPolarHBondContact O-CB 2.98Å; S50-E53 PolarHBondContact O-N 3.44Å; S50-E53 PolarHBondContact OG-N 3.24Å; S50-E53 VanDerWaalsContact OG-N 3.15Å; S50-F54 PolarHBondContact O-N 3.14Å
51R88.4Confident89.9Confident130 Ų13084.3 Ų84.349%0.49141%0.41SS..Hα-helixtrans-55.7-33.9173.2-170.6-179.4-178.7-141.10.4112F54 L55 E67 Y70R51-F54 PolarHBondContact O-N 3.35Å; R51-L55 HydrophobicContact CG-CD1 4.49Å; R51-L55 WeakPolarHBondContact O-CG 3.3Å; R51-L55 PolarHBondContact O-N 3.01Å; R51-E67 IonicContact CZ-OE1 2.79Å; R51-E67 IonicContact CZ-OE2 3.84Å; R51-E67 IonicContact NE-OE1 2.73Å; R51-E67 PolarHBondContact NE-OE1 2.9Å; R51-E67 IonicContact NE-OE2 2.95Å; R51-E67 PolarHBondContact NE-OE2 2.83Å; R51-E67 IonicContact NH2-OE1 3.44Å; R51-E67 IonicContact NH2-OE2 2.76Å; R51-E67 PolarHBondContact NH2-OE2 2.83Å; R51-Y70 HydrophobicContact CB-CE2 4.3Å
52A89.7Confident89.6Confident67 Ų6787.3 Ų87.355%0.55443%0.431SS*.Hα-helixtrans-64.3-41.3176.300000112.4S50 F54 L55 E56S50-A52 PolarHBondContact O-N 3.17Å; A52-F54 VanDerWaalsContact C-N 3.31Å; A52-F54 PolarHBondContact O-N 3.38Å; A52-L55 PolarHBondContact O-N 3.25Å; A52-E56 WeakPolarHBondContact O-CB 3.5Å; A52-E56 PolarHBondContact O-N 2.9Å
53E88.6Confident89.2Confident85 Ų8586.3 Ų86.340%0.39743%0.431SS..Hα-helixtrans-63.3-38.5175.6-165-166152.900111.4S50 E56 R57S50-E53 WeakPolarHBondContact O-CB 2.98Å; S50-E53 PolarHBondContact O-N 3.44Å; S50-E53 PolarHBondContact OG-N 3.24Å; S50-E53 VanDerWaalsContact OG-N 3.15Å; E53-E56 PolarHBondContact O-N 3.49Å; E53-R57 VanDerWaalsContact O-CB 3.28Å; E53-R57 WeakPolarHBondContact O-CB 3.34Å; E53-R57 PolarHBondContact O-N 3.37Å
54F88.3Confident89Confident22 Ų2289.5 Ų89.510%0.09645%0.454CS..Hα-helixtrans-65.2-41.5174.4-97-96.5000112.8K49 S50 R51 A52 E56 R57 F58 I66 Y70 S73K49-F54 HydrophobicContact CB-CD2 4.06Å; K49-F54 HydrophobicContact CB-CE2 3.7Å; K49-F54 HydrophobicContact CD-CE2 4Å; K49-F54 HydrophobicContact CG-CE2 4.5Å; S50-F54 PolarHBondContact O-N 3.14Å; R51-F54 PolarHBondContact O-N 3.35Å; A52-F54 VanDerWaalsContact C-N 3.31Å; A52-F54 PolarHBondContact O-N 3.38Å; F54-E56 VanDerWaalsContact C-N 3.33Å; F54-R57 PolarHBondContact O-N 2.85Å; F54-F58 AromaticContact CD1-CD2 3.86Å; F54-F58 HydrophobicContact CD1-CD2 3.86Å; F54-F58 AromaticContact CD1-CE2 3.81Å; F54-F58 HydrophobicContact CD1-CE2 3.81Å; F54-F58 HydrophobicContact CE1-CD2 4.39Å; F54-F58 AromaticContact CE1-CE2 3.87Å; F54-F58 HydrophobicContact CE1-CE2 3.87Å; F54-F58 WeakPolarHBondContact O-CB 3.43Å; F54-F58 WeakPolarHBondContact O-CD2 3.45Å; F54-F58 PolarHBondContact O-N 2.93Å; F54-I66 HydrophobicContact CB-CG2 4.23Å; F54-Y70 AromaticContact CD2-CD2 3.92Å; F54-Y70 HydrophobicContact CD2-CD2 3.92Å; F54-Y70 HydrophobicContact CE2-CD2 4.34Å; F54-Y70 HydrophobicContact CG-CD2 4.16Å; F54-S73 WeakPolarHBondContact CZ-OG 3.33Å
55L87.4Confident88.8Confident70 Ų7089.2 Ų89.237%0.36645%0.446SS..Hα-helixtrans-62.4-41.6175.3-71.4165.7000111.5R51 A52 K59 I66R51-L55 HydrophobicContact CG-CD1 4.49Å; R51-L55 WeakPolarHBondContact O-CG 3.3Å; R51-L55 PolarHBondContact O-N 3.01Å; A52-L55 PolarHBondContact O-N 3.25Å; L55-K59 WeakPolarHBondContact O-CG 3.45Å; L55-K59 PolarHBondContact O-N 3.26Å; L55-I66 HydrophobicContact CD2-CB 4.38Å; L55-I66 HydrophobicContact CD2-CD1 3.93Å; L55-I66 HydrophobicContact CD2-CG2 3.96Å; L55-I66 HydrophobicContact CG-CG2 4.37Å
56E88.7Confident88.7Confident125 Ų12586.8 Ų86.858%0.58443%0.433SS*.Hα-helixtrans-68.6-38.9179-169.566.5-165.900112.3A52 E53 F54 K59A52-E56 WeakPolarHBondContact O-CB 3.5Å; A52-E56 PolarHBondContact O-N 2.9Å; E53-E56 PolarHBondContact O-N 3.49Å; F54-E56 VanDerWaalsContact C-N 3.33Å; E56-K59 WeakPolarHBondContact O-CE 3.41Å; E56-K59 WeakPolarHBondContact O-CG 3.48Å; E56-K59 WeakPolarHBondContact OE1-CE 3.44Å; E56-K59 IonicContact OE1-NZ 3.98Å; E56-K59 PolarHBondContact OE1-NZ 2.99Å; E56-K59 WeakPolarHBondContact OE2-CE 3.21Å; E56-K59 IonicContact OE2-NZ 3.55Å; E56-K59 PolarHBondContact OE2-NZ 2.98Å
57R88.1Confident88.6Confident174 Ų17489.1 Ų89.166%0.65744%0.444SS*.Hα-helixtrans-75-31.6-179.6-162.4170.9-171157.32.7112.9E53 F54E53-R57 VanDerWaalsContact O-CB 3.28Å; E53-R57 WeakPolarHBondContact O-CB 3.34Å; E53-R57 PolarHBondContact O-N 3.37Å; F54-R57 PolarHBondContact O-N 2.85Å
58F85.6Confident88.6Confident72 Ų7290.8 Ų90.832%0.31645%0.449SS..THydrogen-bonded Turntrans-115.334.8-176.3-64.9-75000113.6F54 K60 L61 I66F54-F58 AromaticContact CD1-CD2 3.86Å; F54-F58 HydrophobicContact CD1-CD2 3.86Å; F54-F58 AromaticContact CD1-CE2 3.81Å; F54-F58 HydrophobicContact CD1-CE2 3.81Å; F54-F58 HydrophobicContact CE1-CD2 4.39Å; F54-F58 AromaticContact CE1-CE2 3.87Å; F54-F58 HydrophobicContact CE1-CE2 3.87Å; F54-F58 WeakPolarHBondContact O-CB 3.43Å; F54-F58 WeakPolarHBondContact O-CD2 3.45Å; F54-F58 PolarHBondContact O-N 2.93Å; F58-K60 PolarHBondContact O-N 3.44Å; F58-L61 HydrophobicContact CB-CD1 4.28Å; F58-L61 HydrophobicContact CD1-CD1 4Å; F58-L61 HydrophobicContact CG-CD1 4.44Å; F58-L61 PolarHBondContact O-N 3.3Å; F58-I66 HydrophobicContact CB-CD1 4.28Å; F58-I66 HydrophobicContact CB-CG1 4Å; F58-I66 WeakPolarHBondContact O-CD1 3.29Å
59K86Confident88.6Confident136 Ų13688.5 Ų88.559%0.59144%0.441SS*.THydrogen-bonded Turntrans-49.7-24.3177.8-70.1179.2-171.6-169.50115.6L55 E56 L61L55-K59 WeakPolarHBondContact O-CG 3.45Å; L55-K59 PolarHBondContact O-N 3.26Å; E56-K59 WeakPolarHBondContact O-CE 3.41Å; E56-K59 WeakPolarHBondContact O-CG 3.48Å; E56-K59 WeakPolarHBondContact OE1-CE 3.44Å; E56-K59 IonicContact OE1-NZ 3.98Å; E56-K59 PolarHBondContact OE1-NZ 2.99Å; E56-K59 WeakPolarHBondContact OE2-CE 3.21Å; E56-K59 IonicContact OE2-NZ 3.55Å; E56-K59 PolarHBondContact OE2-NZ 2.98Å; K59-L61 VanDerWaalsContact C-N 3.32Å
60K88Confident88.8Confident211 Ų21187 Ų8792%0.91743%0.433SS*.THydrogen-bonded Turntrans-80-10.4-177.9-60.2-175-179.7-177.70113.7F58F58-K60 PolarHBondContact O-N 3.44Å
61L85.6Confident88.9Confident71 Ų7189.2 Ų89.237%0.37244%0.44SS..SBendtrans-103.5152-177.1-69.8173.3000111.4F58 K59 I66 L69F58-L61 HydrophobicContact CB-CD1 4.28Å; F58-L61 HydrophobicContact CD1-CD1 4Å; F58-L61 HydrophobicContact CG-CD1 4.44Å; F58-L61 PolarHBondContact O-N 3.3Å; K59-L61 VanDerWaalsContact C-N 3.32Å; L61-I66 HydrophobicContact CB-CD1 4.5Å; L61-I66 HydrophobicContact CB-CG1 3.93Å; L61-I66 WeakPolarHBondContact O-CD1 3.33Å; L61-L69 HydrophobicContact CD1-CD1 3.72Å
62P88.2Confident89.2Confident82 Ų8290 Ų9053%0.53244%0.443SS..  trans-57.5143.2172.1-23.132.9000111.3S64 K65 I66P62-S64 PolarHBondContact O-N 2.87Å; P62-S64 VanDerWaalsContact O-N 3.14Å; P62-K65 WeakPolarHBondContact O-CA 3.36Å; P62-K65 PolarHBondContact O-N 3.47Å; P62-I66 PolarHBondContact O-N 3.47Å; P62-I66 VanDerWaalsContact O-N 3.09Å
63P86.4Confident89.3Confident93 Ų9388.3 Ų88.360%0.60443%0.427SS*.Hα-helixtrans-56.4-35.3-17720.4-31.9000112.8K65 I66 E67P63-K65 VanDerWaalsContact C-N 3.31Å; P63-K65 PolarHBondContact O-N 2.94Å; P63-I66 PolarHBondContact O-N 2.96Å; P63-E67 PolarHBondContact O-N 3.39Å
64S88.2Confident89.6Confident99 Ų9985 Ų8569%0.69241%0.412SS*.Hα-helixtrans-61.8-37174.7-54.60000112.9P62 E67 E68P62-S64 PolarHBondContact O-N 2.87Å; P62-S64 VanDerWaalsContact O-N 3.14Å; S64-E67 PolarHBondContact O-N 3.28Å; S64-E68 PolarHBondContact O-N 3.45Å
65K89.7Confident89.9Confident87 Ų8789.9 Ų89.938%0.37844%0.435SS..Hα-helixtrans-75.5-35178.1-164.669.7-168.81700111.5P62 P63 E67 E68 L69P62-K65 WeakPolarHBondContact O-CA 3.36Å; P62-K65 PolarHBondContact O-N 3.47Å; P63-K65 VanDerWaalsContact C-N 3.31Å; P63-K65 PolarHBondContact O-N 2.94Å; K65-E67 VanDerWaalsContact C-N 3.27Å; K65-E67 PolarHBondContact O-N 3.32Å; K65-E68 WeakPolarHBondContact CD-OE2 3.31Å; K65-E68 IonicContact NZ-OE1 3.94Å; K65-E68 PolarHBondContact NZ-OE1 3.31Å; K65-E68 IonicContact NZ-OE2 3.77Å; K65-E68 PolarHBondContact NZ-OE2 3.28Å; K65-E68 PolarHBondContact O-N 3.2Å; K65-L69 WeakPolarHBondContact O-CB 3.5Å; K65-L69 VanDerWaalsContact O-CG 3.29Å; K65-L69 WeakPolarHBondContact O-CG 3.41Å; K65-L69 PolarHBondContact O-N 3.02Å
66I89.8Confident90.3Very high6 Ų692 Ų923%0.03144%0.441CS..Hα-helixtrans-61.6-41172.9-57.6172.5000109.9F54 L55 F58 L61 P62 P63 L69 Y70F54-I66 HydrophobicContact CB-CG2 4.23Å; L55-I66 HydrophobicContact CD2-CB 4.38Å; L55-I66 HydrophobicContact CD2-CD1 3.93Å; L55-I66 HydrophobicContact CD2-CG2 3.96Å; L55-I66 HydrophobicContact CG-CG2 4.37Å; F58-I66 HydrophobicContact CB-CD1 4.28Å; F58-I66 HydrophobicContact CB-CG1 4Å; F58-I66 WeakPolarHBondContact O-CD1 3.29Å; L61-I66 HydrophobicContact CB-CD1 4.5Å; L61-I66 HydrophobicContact CB-CG1 3.93Å; L61-I66 WeakPolarHBondContact O-CD1 3.33Å; P62-I66 PolarHBondContact O-N 3.47Å; P62-I66 VanDerWaalsContact O-N 3.09Å; P63-I66 PolarHBondContact O-N 2.96Å; I66-L69 PolarHBondContact O-N 3.41Å; I66-Y70 WeakPolarHBondContact O-CB 3.25Å; I66-Y70 PolarHBondContact O-N 3.43Å
67E90.7Very high90.6Very high51 Ų5187.1 Ų87.124%0.23842%0.418CS..Hα-helixtrans-61.8-47.3177-162.764.5-164.800112.4R51 P63 S64 K65 L69 Y70 L71R51-E67 IonicContact CZ-OE1 2.79Å; R51-E67 IonicContact CZ-OE2 3.84Å; R51-E67 IonicContact NE-OE1 2.73Å; R51-E67 PolarHBondContact NE-OE1 2.9Å; R51-E67 IonicContact NE-OE2 2.95Å; R51-E67 PolarHBondContact NE-OE2 2.83Å; R51-E67 IonicContact NH2-OE1 3.44Å; R51-E67 IonicContact NH2-OE2 2.76Å; R51-E67 PolarHBondContact NH2-OE2 2.83Å; P63-E67 PolarHBondContact O-N 3.39Å; S64-E67 PolarHBondContact O-N 3.28Å; K65-E67 VanDerWaalsContact C-N 3.27Å; K65-E67 PolarHBondContact O-N 3.32Å; E67-L69 VanDerWaalsContact C-N 3.31Å; E67-L69 PolarHBondContact O-N 2.95Å; E67-Y70 WeakPolarHBondContact O-CB 3.38Å; E67-Y70 PolarHBondContact O-N 2.91Å; E67-L71 HydrophobicContact CG-CD1 4.43Å; E67-L71 WeakPolarHBondContact O-CG 3.39Å; E67-L71 PolarHBondContact O-N 3.26Å
68E91.7Very high90.9Very high102 Ų10286.5 Ų86.548%0.47742%0.415SS..Hα-helixtrans-60.7-41.5177.1-169.1-164.4142.600111.5S64 K65 R72S64-E68 PolarHBondContact O-N 3.45Å; K65-E68 WeakPolarHBondContact CD-OE2 3.31Å; K65-E68 IonicContact NZ-OE1 3.94Å; K65-E68 PolarHBondContact NZ-OE1 3.31Å; K65-E68 IonicContact NZ-OE2 3.77Å; K65-E68 PolarHBondContact NZ-OE2 3.28Å; K65-E68 PolarHBondContact O-N 3.2Å; E68-R72 WeakPolarHBondContact O-CB 3.31Å; E68-R72 PolarHBondContact O-N 2.92Å
69L91.5Very high91.4Very high52 Ų5287.3 Ų87.327%0.27242%0.423SS..Hα-helixtrans-65.3-41.5176.1-72.7174.1000112.1L61 K65 I66 E67 S73L61-L69 HydrophobicContact CD1-CD1 3.72Å; K65-L69 WeakPolarHBondContact O-CB 3.5Å; K65-L69 VanDerWaalsContact O-CG 3.29Å; K65-L69 WeakPolarHBondContact O-CG 3.41Å; K65-L69 PolarHBondContact O-N 3.02Å; I66-L69 PolarHBondContact O-N 3.41Å; E67-L69 VanDerWaalsContact C-N 3.31Å; E67-L69 PolarHBondContact O-N 2.95Å; L69-S73 VanDerWaalsContact O-CB 3.31Å; L69-S73 WeakPolarHBondContact O-CB 3.37Å; L69-S73 PolarHBondContact O-N 3.2Å; L69-S73 PolarHBondContact O-OG 3.48Å
70Y93.2Very high91.8Very high37 Ų3784.3 Ų84.315%0.14541%0.41CS..Hα-helixtrans-61.2-50.5175.6168.8-105.9000110.9H48 K49 R51 F54 I66 E67 R72 S73 E74H48-Y70 PolarHBondContact CE1-OH 3.38Å; H48-Y70 VanDerWaalsContact CE1-OH 3.27Å; K49-Y70 WeakPolarHBondContact O-CE2 3.23Å; R51-Y70 HydrophobicContact CB-CE2 4.3Å; F54-Y70 AromaticContact CD2-CD2 3.92Å; F54-Y70 HydrophobicContact CD2-CD2 3.92Å; F54-Y70 HydrophobicContact CE2-CD2 4.34Å; F54-Y70 HydrophobicContact CG-CD2 4.16Å; I66-Y70 WeakPolarHBondContact O-CB 3.25Å; I66-Y70 PolarHBondContact O-N 3.43Å; E67-Y70 WeakPolarHBondContact O-CB 3.38Å; E67-Y70 PolarHBondContact O-N 2.91Å; Y70-R72 PolarHBondContact O-N 3.34Å; Y70-S73 WeakPolarHBondContact O-CB 3.43Å; Y70-S73 PolarHBondContact O-N 3.41Å; Y70-S73 PolarHBondContact O-OG 3Å; Y70-E74 HydrophobicContact CD2-CG 4.45Å; Y70-E74 HydrophobicContact CE1-CG 4.44Å; Y70-E74 HydrophobicContact CE2-CG 3.88Å; Y70-E74 PolarHBondContact O-N 3.3Å
71L93.4Very high92.1Very high101 Ų10174.6 Ų74.653%0.52937%0.368SS..Hα-helixtrans-58.1-46.7177.7-70.1173.4000112E67 S73 E74 E75E67-L71 HydrophobicContact CG-CD1 4.43Å; E67-L71 WeakPolarHBondContact O-CG 3.39Å; E67-L71 PolarHBondContact O-N 3.26Å; L71-S73 VanDerWaalsContact C-N 3.26Å; L71-S73 PolarHBondContact O-N 2.93Å; L71-E74 PolarHBondContact O-N 3.43Å; L71-E75 WeakPolarHBondContact O-CB 3.42Å; L71-E75 PolarHBondContact O-N 3.08Å
72R93.7Very high92.6Very high146 Ų14673.4 Ų73.455%0.55137%0.368SS*.Hα-helixtrans-63.9-32.6176.8-169.3177.9-175.2-171.22.5112.3E68 Y70 K76E68-R72 WeakPolarHBondContact O-CB 3.31Å; E68-R72 PolarHBondContact O-N 2.92Å; Y70-R72 PolarHBondContact O-N 3.34Å; R72-K76 WeakPolarHBondContact O-CG 3.49Å; R72-K76 PolarHBondContact O-N 3.44Å; R72-K76 VanDerWaalsContact O-N 3.17Å
73S93.2Very high92.9Very high32 Ų3275.5 Ų75.522%0.22437%0.369CS..Hα-helixtrans-73.2-4017778.90000112.2F54 L69 Y70 L71 K76 R77F54-S73 WeakPolarHBondContact CZ-OG 3.33Å; L69-S73 VanDerWaalsContact O-CB 3.31Å; L69-S73 WeakPolarHBondContact O-CB 3.37Å; L69-S73 PolarHBondContact O-N 3.2Å; L69-S73 PolarHBondContact O-OG 3.48Å; Y70-S73 WeakPolarHBondContact O-CB 3.43Å; Y70-S73 PolarHBondContact O-N 3.41Å; Y70-S73 PolarHBondContact O-OG 3Å; L71-S73 VanDerWaalsContact C-N 3.26Å; L71-S73 PolarHBondContact O-N 2.93Å; S73-K76 PolarHBondContact O-N 2.91Å; S73-R77 WeakPolarHBondContact O-CB 3.31Å; S73-R77 PolarHBondContact O-N 3.12Å
74E94.5Very high93.4Very high16 Ų1671 Ų718%0.07534%0.34CS..Hα-helixtrans-66.5-39175.1-88.6-63.8111.400111.4H48 Y70 L71 R77 R78H48-E74 IonicContact CE1-OE1 3.39Å; H48-E74 IonicContact CE1-OE2 2.72Å; H48-E74 IonicContact CG-OE1 3.74Å; H48-E74 IonicContact ND1-OE1 2.98Å; H48-E74 PolarHBondContact ND1-OE1 2.92Å; H48-E74 IonicContact ND1-OE2 2.96Å; H48-E74 PolarHBondContact ND1-OE2 3.29Å; Y70-E74 HydrophobicContact CD2-CG 4.45Å; Y70-E74 HydrophobicContact CE1-CG 4.44Å; Y70-E74 HydrophobicContact CE2-CG 3.88Å; Y70-E74 PolarHBondContact O-N 3.3Å; L71-E74 PolarHBondContact O-N 3.43Å; E74-R77 PolarHBondContact O-N 3.34Å; E74-R77 WeakPolarHBondContact OE1-CD 3.4Å; E74-R77 IonicContact OE1-CZ 3.1Å; E74-R77 IonicContact OE1-NE 3.36Å; E74-R77 PolarHBondContact OE1-NE 3.41Å; E74-R77 IonicContact OE1-NH2 2.93Å; E74-R77 IonicContact OE2-CZ 3.14Å; E74-R77 IonicContact OE2-NE 2.7Å; E74-R77 PolarHBondContact OE2-NE 2.9Å; E74-R77 IonicContact OE2-NH2 2.66Å; E74-R77 PolarHBondContact OE2-NH2 3.44Å; E74-R77 VanDerWaalsContact OE2-NH2 3.14Å; E74-R78 WeakPolarHBondContact O-CB 3.27Å; E74-R78 VanDerWaalsContact O-CG 3.31Å; E74-R78 WeakPolarHBondContact O-CG 3.3Å; E74-R78 PolarHBondContact O-N 3.44Å
75E94.7Very high93.7Very high124 Ų12470.7 Ų70.758%0.57932%0.324SS*.Hα-helixtrans-59.6-50.2172.9-173.7175.4-13600111.1L71 R77 R78 D79L71-E75 WeakPolarHBondContact O-CB 3.42Å; L71-E75 PolarHBondContact O-N 3.08Å; E75-R77 VanDerWaalsContact C-N 3.29Å; E75-R77 PolarHBondContact O-N 3.47Å; E75-R78 PolarHBondContact O-N 2.91Å; E75-D79 PolarHBondContact O-N 2.94Å
76K95Very high94Very high116 Ų11671 Ų7150%0.50433%0.329SS..Hα-helixtrans-59.4-38.3175.2-74.6177.5-179.7-175.20112.9R72 S73 K80R72-K76 WeakPolarHBondContact O-CG 3.49Å; R72-K76 PolarHBondContact O-N 3.44Å; R72-K76 VanDerWaalsContact O-N 3.17Å; S73-K76 PolarHBondContact O-N 2.91Å; K76-K80 WeakPolarHBondContact O-CB 3.46Å; K76-K80 WeakPolarHBondContact O-CG 3.44Å; K76-K80 PolarHBondContact O-N 3.18Å
77R94.8Very high94.1Very high22 Ų2272.7 Ų72.78%0.08334%0.336CS..Hα-helixtrans-64.1-47.4177.2-171.6-170.471.881.1-1.1110.6E16 L46 L47 S73 E74 E75 D79 K80 L81E16-R77 IonicContact OE1-CZ 3.69Å; E16-R77 IonicContact OE1-NH1 2.61Å; E16-R77 PolarHBondContact OE1-NH1 3.47Å; E16-R77 IonicContact OE1-NH2 3.01Å; E16-R77 PolarHBondContact OE1-NH2 3.42Å; L46-R77 WeakPolarHBondContact O-CD 3.49Å; L46-R77 PolarHBondContact O-NH1 2.88Å; L47-R77 WeakPolarHBondContact O-CD 3.41Å; S73-R77 WeakPolarHBondContact O-CB 3.31Å; S73-R77 PolarHBondContact O-N 3.12Å; E74-R77 PolarHBondContact O-N 3.34Å; E74-R77 WeakPolarHBondContact OE1-CD 3.4Å; E74-R77 IonicContact OE1-CZ 3.1Å; E74-R77 IonicContact OE1-NE 3.36Å; E74-R77 PolarHBondContact OE1-NE 3.41Å; E74-R77 IonicContact OE1-NH2 2.93Å; E74-R77 IonicContact OE2-CZ 3.14Å; E74-R77 IonicContact OE2-NE 2.7Å; E74-R77 PolarHBondContact OE2-NE 2.9Å; E74-R77 IonicContact OE2-NH2 2.66Å; E74-R77 PolarHBondContact OE2-NH2 3.44Å; E74-R77 VanDerWaalsContact OE2-NH2 3.14Å; E75-R77 VanDerWaalsContact C-N 3.29Å; E75-R77 PolarHBondContact O-N 3.47Å; R77-D79 VanDerWaalsContact C-N 3.34Å; R77-D79 PolarHBondContact O-N 2.92Å; R77-K80 PolarHBondContact O-N 3.47Å; R77-L81 WeakPolarHBondContact O-CB 3.43Å; R77-L81 PolarHBondContact O-N 2.9Å
78R94.6Very high94.3Very high161 Ų16171.5 Ų71.561%0.60833%0.329SS*.Hα-helixtrans-61.2-41.5176.8-72.1177-177.3-172.2-0.3112E74 E75 L81 A82E74-R78 WeakPolarHBondContact O-CB 3.27Å; E74-R78 VanDerWaalsContact O-CG 3.31Å; E74-R78 WeakPolarHBondContact O-CG 3.3Å; E74-R78 PolarHBondContact O-N 3.44Å; E75-R78 PolarHBondContact O-N 2.91Å; R78-L81 PolarHBondContact O-N 3.42Å; R78-A82 WeakPolarHBondContact O-CB 3.3Å; R78-A82 PolarHBondContact O-N 2.88Å
79D95.9Very high94.3Very high89 Ų8974.1 Ų74.148%0.47634%0.335SS..Hα-helixtrans-63.2-45.8176.1-75.1-12.5000112.3E75 R77 L81 A82 K83E75-D79 PolarHBondContact O-N 2.94Å; R77-D79 VanDerWaalsContact C-N 3.34Å; R77-D79 PolarHBondContact O-N 2.92Å; D79-L81 VanDerWaalsContact C-N 3.32Å; D79-L81 PolarHBondContact O-N 3.12Å; D79-A82 PolarHBondContact O-N 3Å; D79-K83 VanDerWaalsContact O-CG 3.32Å; D79-K83 WeakPolarHBondContact O-CG 3.43Å; D79-K83 PolarHBondContact O-N 3.35Å; D79-K83 VanDerWaalsContact O-N 3.08Å
80K95.4Very high94.4Very high73 Ų7376.5 Ų76.532%0.31734%0.343SS..Hα-helixtrans-58.8-45174.4-78.6179.9177-174.90110.9I41 D45 L46 K76 R77 K83 A84I41-K80 HydrophobicContact CD1-CB 3.97Å; I41-K80 HydrophobicContact CD1-CG 4.11Å; I41-K80 HydrophobicContact CG1-CG 4.45Å; I41-K80 HydrophobicContact CG2-CD 4.33Å; D45-K80 IonicContact OD2-NZ 3.67Å; D45-K80 PolarHBondContact OD2-NZ 3.29Å; L46-K80 HydrophobicContact CD2-CB 3.81Å; K76-K80 WeakPolarHBondContact O-CB 3.46Å; K76-K80 WeakPolarHBondContact O-CG 3.44Å; K76-K80 PolarHBondContact O-N 3.18Å; R77-K80 PolarHBondContact O-N 3.47Å; K80-K83 PolarHBondContact O-N 2.89Å; K80-A84 WeakPolarHBondContact O-CB 3.21Å; K80-A84 PolarHBondContact O-N 2.93Å
81L94.9Very high94.2Very high6 Ų675.7 Ų75.73%0.03134%0.341CS..Hα-helixtrans-65.8-42.7-179.2-174.864000112.4L12 F15 L46 R77 R78 D79 K83 A84 R85L12-L81 HydrophobicContact CD2-CD1 3.91Å; F15-L81 HydrophobicContact CD1-CD1 4.4Å; F15-L81 HydrophobicContact CE1-CD1 3.33Å; F15-L81 HydrophobicContact CE1-CD2 3.81Å; F15-L81 HydrophobicContact CE1-CG 4.17Å; F15-L81 HydrophobicContact CZ-CD1 3.42Å; F15-L81 VanDerWaalsContact CZ-CD1 3.42Å; F15-L81 HydrophobicContact CZ-CD2 3.64Å; F15-L81 HydrophobicContact CZ-CG 4.16Å; L46-L81 HydrophobicContact CD1-CD1 4.25Å; L46-L81 HydrophobicContact CD2-CB 4.21Å; L46-L81 HydrophobicContact CD2-CD1 4.33Å; R77-L81 WeakPolarHBondContact O-CB 3.43Å; R77-L81 PolarHBondContact O-N 2.9Å; R78-L81 PolarHBondContact O-N 3.42Å; D79-L81 VanDerWaalsContact C-N 3.32Å; D79-L81 PolarHBondContact O-N 3.12Å; L81-K83 PolarHBondContact O-N 3.47Å; L81-A84 PolarHBondContact O-N 2.86Å; L81-R85 WeakPolarHBondContact O-CG 3.37Å; L81-R85 PolarHBondContact O-N 3.25Å
82A95.3Very high93.9Very high47 Ų4774 Ų7439%0.38834%0.335SS..Hα-helixtrans-60.4-45.6176.200000111.3R78 D79 R85 I86R78-A82 WeakPolarHBondContact O-CB 3.3Å; R78-A82 PolarHBondContact O-N 2.88Å; D79-A82 PolarHBondContact O-N 3Å; A82-R85 PolarHBondContact O-N 3.32Å; A82-I86 VanDerWaalsContact O-CG1 3.3Å; A82-I86 WeakPolarHBondContact O-CG1 3.18Å; A82-I86 PolarHBondContact O-N 3.4Å
83K95.5Very high93.5Very high125 Ų12571 Ų7154%0.54333%0.328SS..Hα-helixtrans-60.4-46.2175.2-69.1172.7-175-1800111.7L39 D79 K80 L81 R85 I86 E87L39-K83 VanDerWaalsContact CD1-C 3.47Å; L39-K83 HydrophobicContact CD1-CB 3.76Å; D79-K83 VanDerWaalsContact O-CG 3.32Å; D79-K83 WeakPolarHBondContact O-CG 3.43Å; D79-K83 PolarHBondContact O-N 3.35Å; D79-K83 VanDerWaalsContact O-N 3.08Å; K80-K83 PolarHBondContact O-N 2.89Å; L81-K83 PolarHBondContact O-N 3.47Å; K83-R85 PolarHBondContact O-N 3.16Å; K83-I86 PolarHBondContact O-N 2.91Å; K83-E87 PolarHBondContact O-N 3.27Å
84A94.9Very high92.8Very high0 Ų071.3 Ų71.30%033%0.331CS..Hα-helixtrans-62-41.517900000112.2L12 L39 K80 L81 I86 E87 R88L12-A84 HydrophobicContact CD1-CB 3.75Å; L12-A84 WeakPolarHBondContact CD1-O 3.14Å; L12-A84 HydrophobicContact CD2-CB 3.98Å; L39-A84 HydrophobicContact CD1-CB 4.26Å; K80-A84 WeakPolarHBondContact O-CB 3.21Å; K80-A84 PolarHBondContact O-N 2.93Å; L81-A84 PolarHBondContact O-N 2.86Å; A84-I86 PolarHBondContact O-N 3.27Å; A84-E87 PolarHBondContact O-N 3.01Å; A84-R88 PolarHBondContact O-N 3.37Å
85R95.8Very high91.6Very high92 Ų9273.8 Ų73.835%0.34735%0.345SS..Hα-helixtrans-62.1-41.9175.3-75.5176.6175.9164.7-0.3112.2L12 L81 A82 K83 R88 W89L12-R85 HydrophobicContact CB-CG 3.96Å; L12-R85 PolarHBondContact O-NE 3.47Å; L12-R85 PolarHBondContact O-NH2 2.91Å; L12-R85 VanDerWaalsContact O-NH2 3.09Å; L81-R85 WeakPolarHBondContact O-CG 3.37Å; L81-R85 PolarHBondContact O-N 3.25Å; A82-R85 PolarHBondContact O-N 3.32Å; K83-R85 PolarHBondContact O-N 3.16Å; R85-R88 PolarHBondContact O-N 3Å; R85-W89 WeakPolarHBondContact O-CB 3.37Å; R85-W89 PolarHBondContact O-N 3.03Å
86I94.8Very high90.1Very high94 Ų9473 Ų7348%0.48235%0.352SS..Hα-helixtrans-63.8-45.4176.6-67.9164.4000110.9A82 K83 A84 W89 K90A82-I86 VanDerWaalsContact O-CG1 3.3Å; A82-I86 WeakPolarHBondContact O-CG1 3.18Å; A82-I86 PolarHBondContact O-N 3.4Å; K83-I86 PolarHBondContact O-N 2.91Å; A84-I86 PolarHBondContact O-N 3.27Å; I86-W89 WeakPolarHBondContact O-CB 3.33Å; I86-W89 PolarHBondContact O-N 3.36Å; I86-K90 WeakPolarHBondContact O-CG 3.31Å; I86-K90 PolarHBondContact O-N 3.03Å
87E93.7Very high88.4Confident40 Ų4071.9 Ų71.919%0.18736%0.355CS..Hα-helixtrans-63.5-41.5177.1-75.1-56.2136.400112.1A35 L39 K83 A84 W89 K90 L91A35-E87 HydrophobicContact CB-CB 3.86Å; L39-E87 HydrophobicContact CD1-CB 4.2Å; L39-E87 HydrophobicContact CD1-CG 3.69Å; L39-E87 HydrophobicContact CD2-CG 3.76Å; L39-E87 HydrophobicContact CG-CB 4.48Å; L39-E87 HydrophobicContact CG-CG 3.72Å; K83-E87 PolarHBondContact O-N 3.27Å; A84-E87 PolarHBondContact O-N 3.01Å; E87-W89 VanDerWaalsContact C-N 3.29Å; E87-W89 PolarHBondContact O-N 3.28Å; E87-K90 WeakPolarHBondContact O-CB 3.34Å; E87-K90 PolarHBondContact O-N 3.41Å; E87-K90 VanDerWaalsContact O-N 3.16Å; E87-K90 IonicContact OE1-NZ 2.63Å; E87-K90 PolarHBondContact OE1-NZ 2.58Å; E87-L91 WeakPolarHBondContact O-CG 3.48Å; E87-L91 PolarHBondContact O-N 2.95Å
88R93.8Very high86.4Confident26 Ų2675.6 Ų75.610%0.09838%0.377CS..Hα-helixtrans-57.8-43.4172.1177.8-179.7169.2-92.515.5111.3D11 L12 E13 S32 A35 A84 R85 K90 L91 V92D11-R88 IonicContact OD2-CZ 3.34Å; D11-R88 IonicContact OD2-NH2 3.7Å; D11-R88 PolarHBondContact OD2-NH2 3.4Å; L12-R88 HydrophobicContact CD1-CB 4.03Å; E13-R88 IonicContact OE1-CZ 2.74Å; E13-R88 IonicContact OE1-NH1 2.87Å; E13-R88 PolarHBondContact OE1-NH1 3.24Å; E13-R88 IonicContact OE2-CZ 3.52Å; E13-R88 IonicContact OE2-NH1 2.84Å; E13-R88 PolarHBondContact OE2-NH1 2.91Å; E13-R88 IonicContact OE2-NH2 3.72Å; E13-R88 PolarHBondContact OE2-NH2 3.33Å; S32-R88 WeakPolarHBondContact OG-CD 3.38Å; S32-R88 PolarHBondContact OG-NE 3.43Å; A35-R88 HydrophobicContact CB-CB 4Å; A84-R88 PolarHBondContact O-N 3.37Å; R85-R88 PolarHBondContact O-N 3Å; R88-K90 VanDerWaalsContact C-N 3.32Å; R88-K90 PolarHBondContact O-N 3.22Å; R88-L91 PolarHBondContact O-N 2.95Å; R88-V92 HydrophobicContact CG-CG2 4.37Å; R88-V92 VanDerWaalsContact O-CG2 3.27Å; R88-V92 WeakPolarHBondContact O-CG2 3.38Å; R88-V92 PolarHBondContact O-N 3.49Å
89W92.6Very high84.3Confident158 Ų15872.3 Ų72.360%0.59838%0.384SS*.Hα-helixtrans-64.6-34.2178.1-17878.9000112.9R85 I86 E87 Q93R85-W89 WeakPolarHBondContact O-CB 3.37Å; R85-W89 PolarHBondContact O-N 3.03Å; I86-W89 WeakPolarHBondContact O-CB 3.33Å; I86-W89 PolarHBondContact O-N 3.36Å; E87-W89 VanDerWaalsContact C-N 3.29Å; E87-W89 PolarHBondContact O-N 3.28Å; W89-Q93 VanDerWaalsContact CZ2-CD 3.45Å; W89-Q93 PolarHBondContact O-N 3.06Å; W89-Q93 PolarHBondContact O-NE2 2.98Å; W89-Q93 VanDerWaalsContact O-NE2 3.1Å
90K92.7Very high82.1Confident101 Ų10178.9 Ų78.944%0.43940%0.402SS..Hα-helixtrans-66.1-46.7172.4-69.5175.8-1761730111.6I86 E87 R88 V92 Q93 A94I86-K90 WeakPolarHBondContact O-CG 3.31Å; I86-K90 PolarHBondContact O-N 3.03Å; E87-K90 WeakPolarHBondContact O-CB 3.34Å; E87-K90 PolarHBondContact O-N 3.41Å; E87-K90 VanDerWaalsContact O-N 3.16Å; E87-K90 IonicContact OE1-NZ 2.63Å; E87-K90 PolarHBondContact OE1-NZ 2.58Å; R88-K90 VanDerWaalsContact C-N 3.32Å; R88-K90 PolarHBondContact O-N 3.22Å; K90-V92 PolarHBondContact O-N 3.3Å; K90-Q93 PolarHBondContact O-N 3Å; K90-A94 PolarHBondContact O-N 3.03Å
91L89.6Confident79.7Confident21 Ų2181.1 Ų81.111%0.1142%0.418CS..Hα-helixtrans-62.3-43.5179-66.6169.9000111.8E34 A35 E87 R88 Q93 A94 D95E34-L91 HydrophobicContact CB-CD1 3.92Å; E34-L91 HydrophobicContact CG-CD1 3.72Å; E34-L91 HydrophobicContact CG-CD2 4.49Å; A35-L91 HydrophobicContact CB-CD1 4.11Å; E87-L91 WeakPolarHBondContact O-CG 3.48Å; E87-L91 PolarHBondContact O-N 2.95Å; R88-L91 PolarHBondContact O-N 2.95Å; L91-Q93 VanDerWaalsContact C-N 3.27Å; L91-Q93 PolarHBondContact O-N 3.28Å; L91-A94 PolarHBondContact O-N 3.3Å; L91-D95 PolarHBondContact O-N 3.06Å
92V87.1Confident77.3Confident65 Ų6588.1 Ų88.139%0.39446%0.455SS..Hα-helixtrans-63.3-33177.3171.60000112.1R88 K90 C96R88-V92 HydrophobicContact CG-CG2 4.37Å; R88-V92 VanDerWaalsContact O-CG2 3.27Å; R88-V92 WeakPolarHBondContact O-CG2 3.38Å; R88-V92 PolarHBondContact O-N 3.49Å; K90-V92 PolarHBondContact O-N 3.3Å; V92-C96 PolarHBondContact O-SG 2.79Å
93Q85.2Confident74.8Confident84 Ų8491.5 Ų91.539%0.39347%0.473SS..Hα-helixtrans-76.6-38.1174.2-88.4171.4103.500113.7W89 K90 L91 D95 C96 T97W89-Q93 VanDerWaalsContact CZ2-CD 3.45Å; W89-Q93 PolarHBondContact O-N 3.06Å; W89-Q93 PolarHBondContact O-NE2 2.98Å; W89-Q93 VanDerWaalsContact O-NE2 3.1Å; K90-Q93 PolarHBondContact O-N 3Å; L91-Q93 VanDerWaalsContact C-N 3.27Å; L91-Q93 PolarHBondContact O-N 3.28Å; Q93-D95 PolarHBondContact O-N 3.19Å; Q93-C96 WeakPolarHBondContact O-CB 3.41Å; Q93-C96 PolarHBondContact O-N 3.06Å; Q93-T97 PolarHBondContact O-N 3.1Å; Q93-T97 PolarHBondContact O-OG1 2.81Å
94A78Confident72.3Confident37 Ų3791.5 Ų91.531%0.30649%0.486SS..Hα-helixtrans-58.2-40177.200000110.9K90 L91 C96 T97 D98K90-A94 PolarHBondContact O-N 3.03Å; L91-A94 PolarHBondContact O-N 3.3Å; A94-C96 VanDerWaalsContact C-N 3.27Å; A94-C96 PolarHBondContact O-N 3.3Å; A94-T97 PolarHBondContact O-N 2.92Å; A94-T97 VanDerWaalsContact O-N 3.07Å; A94-T97 PolarHBondContact O-OG1 2.96Å; A94-D98 WeakPolarHBondContact O-CB 3.29Å; A94-D98 PolarHBondContact O-N 2.96Å
95D70.3Confident69.6Low69 Ų69101.3 Ų101.337%0.36953%0.529SS..Hα-helixtrans-60.6-34.6174.7-69.5-14.4000113.8R31 L91 Q93 T97R31-D95 VanDerWaalsContact CZ-CG 3.48Å; R31-D95 IonicContact CZ-OD1 2.72Å; R31-D95 VanDerWaalsContact CZ-OD1 3.24Å; R31-D95 IonicContact CZ-OD2 3.97Å; R31-D95 IonicContact NE-OD1 3.93Å; R31-D95 IonicContact NE-OD2 3.83Å; R31-D95 PolarHBondContact NE-OD2 2.73Å; R31-D95 IonicContact NH1-OD1 3.98Å; R31-D95 IonicContact NH2-OD1 3.39Å; R31-D95 PolarHBondContact NH2-OD1 3.49Å; R31-D95 IonicContact NH2-OD2 2.85Å; R31-D95 PolarHBondContact NH2-OD2 3.13Å; L91-D95 PolarHBondContact O-N 3.06Å; Q93-D95 PolarHBondContact O-N 3.19Å; D95-T97 VanDerWaalsContact C-N 3.3Å
96C61.9Low67Low107 Ų107103.8 Ų103.872%0.72355%0.549SS*.Hα-helixtrans-73.9-22.6178-69.60000112.4V92 Q93 A94V92-C96 PolarHBondContact O-SG 2.79Å; Q93-C96 WeakPolarHBondContact O-CB 3.41Å; Q93-C96 PolarHBondContact O-N 3.06Å; A94-C96 VanDerWaalsContact C-N 3.27Å; A94-C96 PolarHBondContact O-N 3.3Å
97T58.9Low64.4Low93 Ų93107.7 Ų107.757%0.57157%0.565SS**Hα-helixtrans-95.4-32.2-18052.80000113.2Q93 A94 D95Q93-T97 PolarHBondContact O-N 3.1Å; Q93-T97 PolarHBondContact O-OG1 2.81Å; A94-T97 PolarHBondContact O-N 2.92Å; A94-T97 VanDerWaalsContact O-N 3.07Å; A94-T97 PolarHBondContact O-OG1 2.96Å; D95-T97 VanDerWaalsContact C-N 3.3Å
98D52.8Low62Low100 Ų100111.2 Ų111.254%0.53559%0.59SS.*Hα-helixtrans-90.9-9.5-171.6-72-18.4000114.7A94 R100 N101A94-D98 WeakPolarHBondContact O-CB 3.29Å; A94-D98 PolarHBondContact O-N 2.96Å; D98-R100 PolarHBondContact O-N 3.23Å; D98-N101 PolarHBondContact O-N 2.91Å; D98-N101 VanDerWaalsContact O-N 3.08Å
99A50.6Low59.5Low92 Ų92116.9 Ų116.976%0.7662%0.617SS**THydrogen-bonded Turntrans-62.4-5173.200000114.5
100R51.2Low57.1Low227 Ų227117.5 Ų117.586%0.85763%0.63SS**THydrogen-bonded Turntrans-107.2-6.9174-76.2-172.5176.1-176.2-0.6115.4D98D98-R100 PolarHBondContact O-N 3.23Å
101N44.9Very low54.9Low120 Ų120119.2 Ų119.264%0.64264%0.641SS**SBendtrans-144.798.6-178.9-68-57.2000111.8D98D98-N101 PolarHBondContact O-N 2.91Å; D98-N101 VanDerWaalsContact O-N 3.08Å
102N42.8Very low52.6Low153 Ų153125.6 Ų125.682%0.81868%0.676SS**  trans80.8129.9159.7-60-44.8000119.4
103P44.7Very low50.5Low117 Ų117129.9 Ų129.976%0.7670%0.696SS**  trans-84.9177.5169.843.9-38.2000109.9
104P42.6Very low48.4Very low125 Ų125134.3 Ų134.381%0.81272%0.717SS**  -84.2157.1-123.810.913.2000115D106P104-D106 PolarHBondContact O-N 2.74Å
105F38.6Very low46.7Very low206 Ų206140.2 Ų140.290%0.90474%0.744SS**  trans-34.6121.3167-125.9-106.7000113.9
106D40Very low45.3Very low144 Ų144139.7 Ų139.777%0.7775%0.754SS**  trans-86.3115.4166.8-152.25.9000108.1P104 T108P104-D106 PolarHBondContact O-N 2.74Å; D106-T108 PolarHBondContact O-N 2.87Å
107E39.6Very low44.1Very low177 Ų177142.4 Ų142.483%0.82776%0.76SS**  trans-68.5111169.9-75.6178140.100109
108T44.4Very low43.2Very low114 Ų114143.5 Ų143.570%0.69977%0.772SS**  trans-154.6127.3154.131.10000112.3D106D106-T108 PolarHBondContact O-N 2.87Å
109H40.7Very low42.4Very low145 Ų145148 Ų14867%0.67179%0.789SS**  trans67.788148.7-88.5-78.5000119.5M111H109-M111 WeakPolarHBondContact ND1-CG 3.36Å
110I42.4Very low41.9Very low170 Ų170152.9 Ų152.987%0.87279%0.787SS**  trans-112.9105.7134.4-62.6-179.3000105.9
111M47.6Very low41Very low138 Ų138145.7 Ų145.768%0.6878%0.784SS**  trans-69.4138.9173.1-63.9-13582.500109.8H109H109-M111 WeakPolarHBondContact ND1-CG 3.36Å
112D40.3Very low40.7Very low155 Ų155149.1 Ų149.183%0.82979%0.788SS**  trans-49.8132.4164.5-57.8-65.8000111.4
113D43Very low40.2Very low155 Ų155149.5 Ų149.583%0.82979%0.791SS**  trans-138.890151.4-1528.9000107.8N115D113-N115 PolarHBondContact O-N 3.48Å
114E42.4Very low39.8Very low176 Ų176147.5 Ų147.582%0.82278%0.779SS**  trans-65.9116.4155.6-84.1-154.8138.500108.3
115N42.1Very low39.3Very low162 Ų162146.6 Ų146.687%0.86677%0.771SS**  trans-174140.6136.8-103.8-34.2000112.6D113D113-N115 PolarHBondContact O-N 3.48Å
116G40.8Very low39.2Very low58 Ų58144.9 Ų144.960%0.59876%0.764SS**  trans115.873.4142.700000118
117I36.9Very low39.2Very low164 Ų164145.1 Ų145.184%0.84176%0.76SS**  57.6103.8122.1-52.5155.7000117.1
118S38.1Very low39Very low116 Ų116142.1 Ų142.181%0.81176%0.759SS**  -17198.5124-960000112.9R120S118-R120 PolarHBondContact O-N 3.41Å
119H36.5Very low38.7Very low193 Ų193141.6 Ų141.689%0.89476%0.76SS**  trans-59.2114150.8-69.7-81.2000109.4
120R39.8Very low38.6Very low195 Ų195141.1 Ų141.174%0.73677%0.769SS**  trans-146.984149.7-140.4175.7-170-144.44.7110.7S118 R122S118-R120 PolarHBondContact O-N 3.41Å; R120-R122 PolarHBondContact O-N 3.01Å
121G32.1Very low38Very low77 Ų77135.5 Ų135.579%0.79475%0.754SS**  trans-57.4118.3155.400000108.5
122R39.5Very low37.5Very low191 Ų191133.9 Ų133.972%0.72175%0.752SS**  trans-127.594.2163.4-129.9179.6-164.4-173.21.5107.7R120 S124R120-R122 PolarHBondContact O-N 3.01Å; R122-S124 PolarHBondContact O-N 3.02Å; R122-S124 VanDerWaalsContact O-N 3.1Å
123N33.3Very low37Very low162 Ų162135.9 Ų135.987%0.86675%0.754SS**  trans-53.3108.5154.2-64.5-21.6000106.8
124S36.1Very low36.7Very low75 Ų75136.7 Ų136.752%0.52475%0.752SS.*  trans-117.386166.2-168.80000107.2R122 F126R122-S124 PolarHBondContact O-N 3.02Å; R122-S124 VanDerWaalsContact O-N 3.1Å; S124-F126 VanDerWaalsContact C-N 3.33Å; S124-F126 PolarHBondContact O-N 2.96Å; S124-F126 WeakPolarHBondContact OG-CD2 3.4Å; S124-F126 WeakPolarHBondContact OG-CE2 3.36Å
125T31Very low36.2Very low105 Ų105133 Ų13364%0.64474%0.738SS**  trans-47.294.6160.9-45.60000108.8H127T125-H127 PolarHBondContact O-CE1 3.47Å; T125-H127 PolarHBondContact O-NE2 2.79Å
126F37.4Very low35.8Very low170 Ų170133.8 Ų133.875%0.74673%0.734SS**  trans-99.2103162.5-77.7-69.6000107.9S124 S128S124-F126 VanDerWaalsContact C-N 3.33Å; S124-F126 PolarHBondContact O-N 2.96Å; S124-F126 WeakPolarHBondContact OG-CD2 3.4Å; S124-F126 WeakPolarHBondContact OG-CE2 3.36Å; F126-S128 PolarHBondContact O-N 2.73Å
127H38.7Very low35.7Very low149 Ų149135 Ų13569%0.6974%0.739SS**  trans-44.7102.1166.5-26.5-73000108.4T125 S129T125-H127 PolarHBondContact O-CE1 3.47Å; T125-H127 PolarHBondContact O-NE2 2.79Å; H127-S129 VanDerWaalsContact C-N 3.3Å; H127-S129 PolarHBondContact O-N 3.26Å
128S35.7Very low35.7Very low115 Ų115132.8 Ų132.880%0.80473%0.729SS**  trans-74.792.6167.2-63.10000106.4F126 P130F126-S128 PolarHBondContact O-N 2.73Å; S128-P130 WeakPolarHBondContact O-CD 3.39Å
129S39.5Very low35.6Very low103 Ų103135.8 Ų135.872%0.7273%0.727SS**  trans-52.7122.8168.6-69.20000109H127 G131H127-S129 VanDerWaalsContact C-N 3.3Å; H127-S129 PolarHBondContact O-N 3.26Å; S129-G131 PolarHBondContact O-N 2.66Å
130P37.1Very low35.7Very low134 Ų134134 Ų13487%0.8772%0.719SS**  trans-7779.6174.330.8-30.4000107.9S128S128-P130 WeakPolarHBondContact O-CD 3.39Å
131G30.7Very low35.9Very low53 Ų53128.3 Ų128.355%0.54671%0.708SS.*  trans-141.9121.4-178.500000109.8S129S129-G131 PolarHBondContact O-N 2.66Å
132T35.8Very low36.4Very low104 Ų104129.2 Ų129.264%0.63870%0.701SS**  trans93.639.1177.5-26.80000116Q134T132-Q134 PolarHBondContact O-N 3.48Å
133F30.6Very low36.7Very low197 Ų197124.3 Ų124.386%0.86469%0.689SS**  trans-84.750.2142.8-75.3-78.9000110
134Q37.2Very low37.7Very low172 Ų172120.2 Ų120.280%0.80467%0.67SS**  trans-145.869.5173.2-82.5-173.5-11.800106.8T132T132-Q134 PolarHBondContact O-N 3.48Å
135N31.6Very low38.8Very low98 Ų98124.5 Ų124.552%0.52468%0.679SS.*SBendtrans-161.92.1165.4-95.4-27.9000114.4A137N135-A137 VanDerWaalsContact C-N 3.28Å
136F33.5Very low40.1Very low178 Ų178126.5 Ų126.578%0.78168%0.678SS**THydrogen-bonded Turntrans-86.75171.2-67.3-74.4000113.8
137A39.1Very low41.4Very low84 Ų84122 Ų12269%0.69466%0.657SS**THydrogen-bonded Turntrans-88.9-4.7173.400000113.7N135N135-A137 VanDerWaalsContact C-N 3.28Å
138N36.8Very low42.7Very low118 Ų118117 Ų11763%0.63164%0.639SS**  trans-10611.7-174.3-66.8-27.5000114.4
139F35.8Very low44.5Very low179 Ų179117.8 Ų117.879%0.78563%0.63SS**SBendtrans-88-3.3171.6-92.1-86.2000113.7
140E38.9Very low45.9Very low154 Ų154116.2 Ų116.272%0.7261%0.613SS**THydrogen-bonded Turntrans-97.4114151.4-83.4-124.2150.400105.7
141P44Very low47.4Very low76 Ų76113.5 Ų113.549%0.49459%0.59SS.*THydrogen-bonded Turn-147.256.450.733.9-8.4000113
142C41.7Very low49.3Very low96 Ų96118.3 Ų118.365%0.64960%0.598SS**Hα-helixtrans-86.8-30.2178.8-158.60000113
143L47.1Very low51.3Low89 Ų89121.4 Ų121.447%0.46660%0.603SS.*Hα-helixtrans-72.3-34.1175.5-67.8168.7000111.8K145 K146 Y147 Y311L143-K145 VanDerWaalsContact C-N 3.27Å; L143-K145 PolarHBondContact O-N 3.5Å; L143-K146 PolarHBondContact O-N 2.9Å; L143-Y147 HydrophobicContact CB-CE2 4.35Å; L143-Y147 HydrophobicContact CD2-CE2 4.04Å; L143-Y147 WeakPolarHBondContact O-CD2 3.35Å; L143-Y147 PolarHBondContact O-N 3.34Å; L143-Y311 HydrophobicContact CD2-CE2 4.15Å
144T53.4Low53.4Low76 Ų76114.3 Ų114.347%0.46657%0.574SS.*Hα-helixtrans-61.2-33.3-178.7-33.50000112.8S148T144-S148 PolarHBondContact O-OG 2.91Å
145K58.6Low55.4Low165 Ų165112.1 Ų112.172%0.71756%0.563SS**Hα-helixtrans-77.5-30.2179.5-67-177.5-179.7-179.20113.6L143 S148L143-K145 VanDerWaalsContact C-N 3.27Å; L143-K145 PolarHBondContact O-N 3.5Å; K145-S148 PolarHBondContact O-OG 2.87Å
146K59.7Low57.7Low146 Ų146111.7 Ų111.764%0.63557%0.566SS**Hα-helixtrans-75-25.6179.7-84.4-170.5172.1-170.80112.9L143L143-K146 PolarHBondContact O-N 2.9Å
147Y63.7Low60Low75 Ų75107.7 Ų107.729%0.29456%0.557SS.*THydrogen-bonded Turntrans-109.713.8-175.6-55.7-61.8000114.1L143 H149 L150 I151 Y311L143-Y147 HydrophobicContact CB-CE2 4.35Å; L143-Y147 HydrophobicContact CD2-CE2 4.04Å; L143-Y147 WeakPolarHBondContact O-CD2 3.35Å; L143-Y147 PolarHBondContact O-N 3.34Å; Y147-H149 PolarHBondContact O-N 3.44Å; Y147-L150 HydrophobicContact CD1-CD1 3.5Å; Y147-L150 VanDerWaalsContact CD1-CD1 3.5Å; Y147-L150 HydrophobicContact CD1-CG 4.45Å; Y147-L150 HydrophobicContact CE1-CD1 4.32Å; Y147-L150 HydrophobicContact CG-CD1 4.18Å; Y147-L150 WeakPolarHBondContact O-CA 3.44Å; Y147-L150 WeakPolarHBondContact O-CB 3.45Å; Y147-L150 PolarHBondContact O-N 2.97Å; Y147-I151 PolarHBondContact O-N 3.27Å; Y147-I151 VanDerWaalsContact O-N 3.08Å; Y147-Y311 WeakPolarHBondContact OH-CD2 3.36Å; Y147-Y311 VanDerWaalsContact OH-CE2 3.22Å; Y147-Y311 WeakPolarHBondContact OH-CE2 3.31Å
148S66.6Low61.9Low44 Ų44107.8 Ų107.831%0.30854%0.543SS..Hα-helixtrans-50.8-43.2177.3-43.30000112.2T144 K145 L150 I151 E152T144-S148 PolarHBondContact O-OG 2.91Å; K145-S148 PolarHBondContact O-OG 2.87Å; S148-L150 VanDerWaalsContact C-N 3.26Å; S148-L150 PolarHBondContact O-N 3.3Å; S148-I151 WeakPolarHBondContact O-CB 3.36Å; S148-I151 PolarHBondContact O-N 3.45Å; S148-E152 PolarHBondContact O-N 3.3Å
149H73.3Confident64.1Low133 Ų133105.4 Ų105.462%0.61653%0.53SS*.Hα-helixtrans-70.2-17.5177.9-56.7-36.3000114.4Y147 E152 K153Y147-H149 PolarHBondContact O-N 3.44Å; H149-E152 IonicContact ND1-OE2 3.52Å; H149-K153 WeakPolarHBondContact O-CG 3.39Å
150L67.8Low66.4Low70 Ų70104 Ų10437%0.36652%0.523SS..Hα-helixtrans-83.9-36.6172.4-63.6179.2000110.7Y147 S148 E152 K153 L154 M307Y147-L150 HydrophobicContact CD1-CD1 3.5Å; Y147-L150 VanDerWaalsContact CD1-CD1 3.5Å; Y147-L150 HydrophobicContact CD1-CG 4.45Å; Y147-L150 HydrophobicContact CE1-CD1 4.32Å; Y147-L150 HydrophobicContact CG-CD1 4.18Å; Y147-L150 WeakPolarHBondContact O-CA 3.44Å; Y147-L150 WeakPolarHBondContact O-CB 3.45Å; Y147-L150 PolarHBondContact O-N 2.97Å; S148-L150 VanDerWaalsContact C-N 3.26Å; S148-L150 PolarHBondContact O-N 3.3Å; L150-E152 VanDerWaalsContact C-N 3.3Å; L150-E152 PolarHBondContact O-N 3.43Å; L150-K153 PolarHBondContact O-N 3.02Å; L150-L154 WeakPolarHBondContact O-CD1 3.38Å; L150-L154 PolarHBondContact O-N 3.48Å; L150-M307 HydrophobicContact CD2-CE 4.45Å; L150-M307 HydrophobicContact CD2-SD 4.29Å
151I68.9Low68.5Low77 Ų77102.7 Ų102.740%0.39552%0.517SS..Hα-helixtrans-60.9-40175.8-63.3171.7000110.8Y147 S148 K153 L154 L159Y147-I151 PolarHBondContact O-N 3.27Å; Y147-I151 VanDerWaalsContact O-N 3.08Å; S148-I151 WeakPolarHBondContact O-CB 3.36Å; S148-I151 PolarHBondContact O-N 3.45Å; I151-K153 VanDerWaalsContact C-N 3.27Å; I151-K153 PolarHBondContact O-N 3.05Å; I151-L154 PolarHBondContact O-N 2.9Å; I151-L159 HydrophobicContact CG2-CD2 4Å
152E71.4Confident70.2Confident153 Ų153102.6 Ų102.672%0.71551%0.512SS*.THydrogen-bonded Turntrans-67.5-21177.5-71.9171.6176.600114.3S148 H149 L150S148-E152 PolarHBondContact O-N 3.3Å; H149-E152 IonicContact ND1-OE2 3.52Å; L150-E152 VanDerWaalsContact C-N 3.3Å; L150-E152 PolarHBondContact O-N 3.43Å
153K78Confident72.2Confident169 Ų169103.6 Ų103.674%0.73551%0.506SS*.THydrogen-bonded Turntrans-95.7-6.9-178-69-179.7-177178.90113.9H149 L150 I151H149-K153 WeakPolarHBondContact O-CG 3.39Å; L150-K153 PolarHBondContact O-N 3.02Å; I151-K153 VanDerWaalsContact C-N 3.27Å; I151-K153 PolarHBondContact O-N 3.05Å
154L74.8Confident74Confident49 Ų49104.2 Ų104.226%0.25751%0.51SS..SBendtrans-79.2136.9-179.5-81.7148000110.4L150 I151 E158 L159 I162L150-L154 WeakPolarHBondContact O-CD1 3.38Å; L150-L154 PolarHBondContact O-N 3.48Å; I151-L154 PolarHBondContact O-N 2.9Å; L154-E158 HydrophobicContact CB-CB 4.39Å; L154-E158 HydrophobicContact CD2-CB 3.53Å; L154-E158 HydrophobicContact CD2-CG 4.31Å; L154-L159 HydrophobicContact CB-CD2 4.12Å; L154-L159 HydrophobicContact CB-CG 4.01Å; L154-L159 HydrophobicContact CD1-CD2 4.43Å; L154-I162 HydrophobicContact CD1-CD1 3.96Å; L154-I162 HydrophobicContact CD2-CD1 4.07Å
155Q79.2Confident75.4Confident125 Ų125107.2 Ų107.258%0.58452%0.52SS*.  trans-64.7150.1173.2-68-70.6-50.200109.9T157 E158 L159Q155-T157 PolarHBondContact O-N 3.37Å; Q155-E158 HydrophobicContact CB-CG 4.21Å; Q155-E158 PolarHBondContact N-OE2 3.09Å; Q155-E158 WeakPolarHBondContact O-CA 3.31Å; Q155-E158 WeakPolarHBondContact O-CB 3.29Å; Q155-E158 PolarHBondContact O-N 3.44Å; Q155-L159 PolarHBondContact O-N 2.83Å; Q155-L159 VanDerWaalsContact O-N 3.1Å
156P80.1Confident76.5Confident90 Ų90104.7 Ų104.758%0.58451%0.511SS*.Hα-helixtrans-53.4-30.4179.2-27.234.1000114K160P156-K160 PolarHBondContact O-N 3.19Å; P156-K160 VanDerWaalsContact O-N 3.12Å
157T81.3Confident77.5Confident94 Ų94105.8 Ų105.858%0.57751%0.511SS*.Hα-helixtrans-68.4-38.3175.4-43.60000112.6Q155 Q161Q155-T157 PolarHBondContact O-N 3.37Å; T157-Q161 WeakPolarHBondContact O-CG 3.39Å; T157-Q161 PolarHBondContact O-N 2.76Å; T157-Q161 VanDerWaalsContact O-N 3.08Å
158E79.3Confident78.3Confident86 Ų86108.5 Ų108.540%0.40253%0.525SS..Hα-helixtrans-72.1-38.2178.9-60.7175.2128.800110.4L154 Q155 Q161 I162L154-E158 HydrophobicContact CB-CB 4.39Å; L154-E158 HydrophobicContact CD2-CB 3.53Å; L154-E158 HydrophobicContact CD2-CG 4.31Å; Q155-E158 HydrophobicContact CB-CG 4.21Å; Q155-E158 PolarHBondContact N-OE2 3.09Å; Q155-E158 WeakPolarHBondContact O-CA 3.31Å; Q155-E158 WeakPolarHBondContact O-CB 3.29Å; Q155-E158 PolarHBondContact O-N 3.44Å; E158-Q161 PolarHBondContact O-N 3.06Å; E158-I162 VanDerWaalsContact O-CG1 3.29Å; E158-I162 WeakPolarHBondContact O-CG1 3.38Å; E158-I162 PolarHBondContact O-N 3.49Å
159L83.3Confident78.8Confident68 Ų68114.2 Ų114.236%0.35654%0.54SS..Hα-helixtrans-59.5-47.6171.9-71.4169000111.7I151 L154 Q155 Q161 I162 E163I151-L159 HydrophobicContact CG2-CD2 4Å; L154-L159 HydrophobicContact CB-CD2 4.12Å; L154-L159 HydrophobicContact CB-CG 4.01Å; L154-L159 HydrophobicContact CD1-CD2 4.43Å; Q155-L159 PolarHBondContact O-N 2.83Å; Q155-L159 VanDerWaalsContact O-N 3.1Å; L159-Q161 VanDerWaalsContact C-N 3.3Å; L159-Q161 PolarHBondContact O-N 3.1Å; L159-I162 PolarHBondContact O-N 3.3Å; L159-E163 WeakPolarHBondContact O-CB 3.34Å; L159-E163 PolarHBondContact O-N 2.99Å
160K83.8Confident79Confident150 Ų150113.3 Ų113.365%0.65254%0.536SS*.Hα-helixtrans-60.3-37.2174.9-79.5-177.1177.7-178.60112.9P156 L164P156-K160 PolarHBondContact O-N 3.19Å; P156-K160 VanDerWaalsContact O-N 3.12Å; K160-L164 VanDerWaalsContact O-CB 3.3Å; K160-L164 WeakPolarHBondContact O-CB 3.45Å; K160-L164 PolarHBondContact O-N 2.89Å
161Q81.9Confident79.3Confident126 Ų126114.8 Ų114.859%0.58954%0.542SS*.Hα-helixtrans-67.2-42.4176.6-77.41789.100112T157 E158 L159 L164 M165T157-Q161 WeakPolarHBondContact O-CG 3.39Å; T157-Q161 PolarHBondContact O-N 2.76Å; T157-Q161 VanDerWaalsContact O-N 3.08Å; E158-Q161 PolarHBondContact O-N 3.06Å; L159-Q161 VanDerWaalsContact C-N 3.3Å; L159-Q161 PolarHBondContact O-N 3.1Å; Q161-L164 PolarHBondContact O-N 3.29Å; Q161-M165 WeakPolarHBondContact O-CB 3.27Å; Q161-M165 PolarHBondContact O-N 3.1Å
162I81.5Confident79.2Confident74 Ų74115.8 Ų115.838%0.37955%0.548SS..Hα-helixtrans-63.8-45.3176.9-67.1164.3000110.2L154 E158 L159 L164 M165 Q166L154-I162 HydrophobicContact CD1-CD1 3.96Å; L154-I162 HydrophobicContact CD2-CD1 4.07Å; E158-I162 VanDerWaalsContact O-CG1 3.29Å; E158-I162 WeakPolarHBondContact O-CG1 3.38Å; E158-I162 PolarHBondContact O-N 3.49Å; L159-I162 PolarHBondContact O-N 3.3Å; I162-L164 PolarHBondContact O-N 2.69Å; I162-M165 WeakPolarHBondContact O-CB 3.36Å; I162-M165 PolarHBondContact O-N 3.37Å; I162-Q166 WeakPolarHBondContact O-CG 3.47Å; I162-Q166 PolarHBondContact O-N 3.31Å
163E82.3Confident78.7Confident116 Ų116114.7 Ų114.754%0.54254%0.541SS..Hα-helixtrans-61.7-43.3177.2-169.1-178.5177.500111.5L159 M165 Q166 R167L159-E163 WeakPolarHBondContact O-CB 3.34Å; L159-E163 PolarHBondContact O-N 2.99Å; E163-M165 VanDerWaalsContact C-N 3.33Å; E163-M165 PolarHBondContact O-N 3.19Å; E163-Q166 PolarHBondContact O-N 3.45Å; E163-R167 WeakPolarHBondContact O-CB 3.43Å; E163-R167 PolarHBondContact O-N 3.43Å
164L86.1Confident77.8Confident103 Ų103111.3 Ų111.354%0.53953%0.53SS..Hα-helixtrans-62-40.5174.4-164.188.5000111.8K160 Q161 I162 K168K160-L164 VanDerWaalsContact O-CB 3.3Å; K160-L164 WeakPolarHBondContact O-CB 3.45Å; K160-L164 PolarHBondContact O-N 2.89Å; Q161-L164 PolarHBondContact O-N 3.29Å; I162-L164 PolarHBondContact O-N 2.69Å; L164-K168 WeakPolarHBondContact O-CB 3.44Å; L164-K168 WeakPolarHBondContact O-CG 3.33Å; L164-K168 PolarHBondContact O-N 3.17Å
165M82.3Confident76.9Confident139 Ų139112.6 Ų112.669%0.68554%0.537SS*.Hα-helixtrans-64.5-46.1176-105.5-104.8-64.200112Q161 I162 E163 R167 K168 Y169Q161-M165 WeakPolarHBondContact O-CB 3.27Å; Q161-M165 PolarHBondContact O-N 3.1Å; I162-M165 WeakPolarHBondContact O-CB 3.36Å; I162-M165 PolarHBondContact O-N 3.37Å; E163-M165 VanDerWaalsContact C-N 3.33Å; E163-M165 PolarHBondContact O-N 3.19Å; M165-R167 VanDerWaalsContact C-N 3.35Å; M165-K168 PolarHBondContact O-N 2.97Å; M165-Y169 WeakPolarHBondContact O-CB 3.45Å; M165-Y169 PolarHBondContact O-N 2.95Å
166Q81.7Confident75.5Confident111 Ų111112 Ų11252%0.51955%0.545SS..Hα-helixtrans-62-43.7176.2-76.9179.4-18.300111.1I162 E163 K168 Y169 Q170I162-Q166 WeakPolarHBondContact O-CG 3.47Å; I162-Q166 PolarHBondContact O-N 3.31Å; E163-Q166 PolarHBondContact O-N 3.45Å; Q166-K168 PolarHBondContact O-N 3.28Å; Q166-Y169 PolarHBondContact O-N 3.22Å; Q166-Q170 WeakPolarHBondContact O-CB 3.5Å; Q166-Q170 WeakPolarHBondContact O-CG 3.37Å; Q166-Q170 PolarHBondContact O-N 3.2Å
167R81.4Confident74Confident170 Ų170114.6 Ų114.664%0.64255%0.553SS**Hα-helixtrans-61.5-43.5176-157.4-179.2-150.9145.63.4111.6E163 M165 Q170 Q171E163-R167 WeakPolarHBondContact O-CB 3.43Å; E163-R167 PolarHBondContact O-N 3.43Å; M165-R167 VanDerWaalsContact C-N 3.35Å; R167-Q170 PolarHBondContact O-N 2.65Å; R167-Q171 VanDerWaalsContact O-CB 3.28Å; R167-Q171 WeakPolarHBondContact O-CB 3.42Å; R167-Q171 PolarHBondContact O-N 2.93Å
168K80.2Confident72.6Confident132 Ų132114.6 Ų114.657%0.57456%0.557SS**Hα-helixtrans-63.4-39.9173.7-79.6-173.8176.8-172.50112.7L164 M165 Q166 Q171 N172L164-K168 WeakPolarHBondContact O-CB 3.44Å; L164-K168 WeakPolarHBondContact O-CG 3.33Å; L164-K168 PolarHBondContact O-N 3.17Å; M165-K168 PolarHBondContact O-N 2.97Å; Q166-K168 PolarHBondContact O-N 3.28Å; K168-Q171 PolarHBondContact O-N 3.35Å; K168-N172 WeakPolarHBondContact O-CB 3.39Å; K168-N172 VanDerWaalsContact O-CG 3.3Å; K168-N172 PolarHBondContact O-N 3.5Å
169Y77.5Confident70.8Confident163 Ų163114.4 Ų114.464%0.63957%0.565SS**Hα-helixtrans-67-42.3177.8-177.4-98.7000111.7M165 Q166 N172 K173M165-Y169 WeakPolarHBondContact O-CB 3.45Å; M165-Y169 PolarHBondContact O-N 2.95Å; Q166-Y169 PolarHBondContact O-N 3.22Å; Y169-N172 PolarHBondContact O-N 3.35Å; Y169-K173 WeakPolarHBondContact O-CB 3.4Å; Y169-K173 PolarHBondContact O-N 3.09Å
170Q77.2Confident68.7Low114 Ų114118.5 Ų118.553%0.53359%0.593SS.*Hα-helixtrans-65.2-42.2174.2-71.4177.2-1.200111.5Q166 R167 K173 I174Q166-Q170 WeakPolarHBondContact O-CB 3.5Å; Q166-Q170 WeakPolarHBondContact O-CG 3.37Å; Q166-Q170 PolarHBondContact O-N 3.2Å; R167-Q170 PolarHBondContact O-N 2.65Å; Q170-K173 PolarHBondContact O-N 3.4Å; Q170-I174 WeakPolarHBondContact O-CD1 3.37Å; Q170-I174 VanDerWaalsContact O-CG1 3.27Å; Q170-I174 WeakPolarHBondContact O-CG1 3.45Å; Q170-I174 PolarHBondContact O-N 3.49Å
171Q74.3Confident66.4Low102 Ų102113.3 Ų113.348%0.47758%0.582SS.*Hα-helixtrans-59.2-50.8174.4-162.569.243.800110.7R167 K168 K173 I174 D175R167-Q171 VanDerWaalsContact O-CB 3.28Å; R167-Q171 WeakPolarHBondContact O-CB 3.42Å; R167-Q171 PolarHBondContact O-N 2.93Å; K168-Q171 PolarHBondContact O-N 3.35Å; Q171-K173 VanDerWaalsContact C-N 3.28Å; Q171-K173 PolarHBondContact O-N 3.29Å; Q171-I174 PolarHBondContact O-N 3.1Å; Q171-I174 VanDerWaalsContact O-N 3.08Å; Q171-D175 WeakPolarHBondContact O-CB 3.41Å; Q171-D175 PolarHBondContact O-N 3.04Å
172N66.1Low64.5Low98 Ų98116.2 Ų116.252%0.52459%0.593SS.*Hα-helixtrans-61.3-35175.6-75.2-12.9000112.4K168 Y169 I174 D175 C176K168-N172 WeakPolarHBondContact O-CB 3.39Å; K168-N172 VanDerWaalsContact O-CG 3.3Å; K168-N172 PolarHBondContact O-N 3.5Å; Y169-N172 PolarHBondContact O-N 3.35Å; N172-I174 VanDerWaalsContact C-N 3.33Å; N172-D175 PolarHBondContact O-N 3.38Å; N172-C176 VanDerWaalsContact O-CB 3.23Å; N172-C176 WeakPolarHBondContact O-CB 3.39Å; N172-C176 PolarHBondContact O-N 2.9Å; N172-C176 PolarHBondContact O-SG 3.36Å
173K61Low62.5Low130 Ų130119.4 Ų119.457%0.56561%0.61SS**Hα-helixtrans-66.8-35.5176.2-167.2-179.6179.7-174.60111.7Y169 Q170 Q171 L177Y169-K173 WeakPolarHBondContact O-CB 3.4Å; Y169-K173 PolarHBondContact O-N 3.09Å; Q170-K173 PolarHBondContact O-N 3.4Å; Q171-K173 VanDerWaalsContact C-N 3.28Å; Q171-K173 PolarHBondContact O-N 3.29Å; K173-L177 WeakPolarHBondContact O-CD1 3.41Å
174I59.4Low60.4Low98 Ų98119.4 Ų119.450%0.50362%0.623SS.*Hα-helixtrans-74.4-40.3175.9-64.9163.1000110.6Q170 Q171 N172 L177 S178Q170-I174 WeakPolarHBondContact O-CD1 3.37Å; Q170-I174 VanDerWaalsContact O-CG1 3.27Å; Q170-I174 WeakPolarHBondContact O-CG1 3.45Å; Q170-I174 PolarHBondContact O-N 3.49Å; Q171-I174 PolarHBondContact O-N 3.1Å; Q171-I174 VanDerWaalsContact O-N 3.08Å; N172-I174 VanDerWaalsContact C-N 3.33Å; I174-L177 PolarHBondContact O-N 2.88Å; I174-S178 PolarHBondContact O-N 2.93Å; I174-S178 PolarHBondContact O-OG 2.98Å
175D54.8Low58.4Low76 Ų76126.1 Ų126.141%0.40664%0.641SS.*Hα-helixtrans-68.9-34.5179.2-61.8-22000111.6Q171 N172 L177 S178 S179Q171-D175 WeakPolarHBondContact O-CB 3.41Å; Q171-D175 PolarHBondContact O-N 3.04Å; N172-D175 PolarHBondContact O-N 3.38Å; D175-L177 VanDerWaalsContact C-N 3.28Å; D175-L177 PolarHBondContact O-N 3.09Å; D175-S178 PolarHBondContact O-N 3.4Å; D175-S179 PolarHBondContact O-N 3.07Å
176C49.5Very low56.4Low111 Ų111123.3 Ų123.375%0.7564%0.635SS**Hα-helixtrans-71.3-15.8174.7-71.20000114.4N172N172-C176 VanDerWaalsContact O-CB 3.23Å; N172-C176 WeakPolarHBondContact O-CB 3.39Å; N172-C176 PolarHBondContact O-N 2.9Å; N172-C176 PolarHBondContact O-SG 3.36Å
177L50Low54.6Low146 Ų146126.8 Ų126.876%0.76466%0.656SS**Hα-helixtrans-99.3-9.2176-78.7158.7000112.8K173 I174 D175K173-L177 WeakPolarHBondContact O-CD1 3.41Å; I174-L177 PolarHBondContact O-N 2.88Å; D175-L177 VanDerWaalsContact C-N 3.28Å; D175-L177 PolarHBondContact O-N 3.09Å
178S50.6Low52.8Low94 Ų94126.5 Ų126.566%0.65766%0.662SS**Hα-helixtrans-123.3-7.9-169.6-51.50000115.7I174 D175I174-S178 PolarHBondContact O-N 2.93Å; I174-S178 PolarHBondContact O-OG 2.98Å; D175-S178 PolarHBondContact O-N 3.4Å
179S41.3Very low50.9Low82 Ų82127 Ų12757%0.57367%0.671SS**  trans-138.586.1-179.7-164.50000113.8D175 G181D175-S179 PolarHBondContact O-N 3.07Å; S179-G181 PolarHBondContact O-N 3.48Å; S179-G181 VanDerWaalsContact O-N 3.15Å; S179-G181 PolarHBondContact OG-O 3.25Å; S179-G181 VanDerWaalsContact OG-O 3.11Å
180T38.7Very low49Very low154 Ų154126.7 Ų126.795%0.94568%0.68SS**  trans-62.799.6145.341.50000108.4
181G35.9Very low47.2Very low40 Ų40127.1 Ų127.141%0.41269%0.69SS.*  trans134.2139.2167.600000113.9S179S179-G181 PolarHBondContact O-N 3.48Å; S179-G181 VanDerWaalsContact O-N 3.15Å; S179-G181 PolarHBondContact OG-O 3.25Å; S179-G181 VanDerWaalsContact OG-O 3.11Å
182F42.1Very low45.7Very low188 Ų188129 Ų12983%0.82570%0.702SS**  trans90.399.1163.2-58.8-82.8000118.7
183L39.9Very low44.5Very low140 Ų140131.3 Ų131.373%0.73372%0.72SS**  60.8108.2125.5-55175.7000116.2R185L183-R185 PolarHBondContact O-N 3.08Å
184S38.6Very low43.2Very low117 Ų117127.9 Ų127.982%0.81872%0.721SS**  41.680.288.4-1680000111.8
185R43.9Very low42.2Very low244 Ų244131.9 Ų131.992%0.92174%0.738SS**  trans-158.3117.4157.7-113.7167.5179.7-178.9-0.4111.5L183L183-R185 PolarHBondContact O-N 3.08Å
186S39.8Very low41.2Very low79 Ų79133 Ų13355%0.55276%0.758SS**  trans8171.8141.7-173.20000118.5Q188S186-Q188 PolarHBondContact O-N 3.15Å
187L43.4Very low40.9Very low184 Ų184133.6 Ų133.696%0.96376%0.763SS**  trans-80.454.1147.4-72.4175.2000111.3
188Q45.2Very low40.9Very low165 Ų165137.6 Ų137.677%0.77177%0.767SS**  trans-124.51.9179.5-76.2-175-1.500115.4S186S186-Q188 PolarHBondContact O-N 3.15Å
189N40.6Very low40.8Very low142 Ų142138.7 Ų138.776%0.75977%0.773SS**  trans-115.265.6179.5-67.5-20.3000111.8
190L36.9Very low40.7Very low157 Ų157144 Ų14482%0.82279%0.788SS**  trans-12770.1157.4-159.276.9000108.4L192L190-L192 PolarHBondContact O-N 3.06Å; L190-L192 VanDerWaalsContact O-N 3.16Å
191V38.9Very low41.1Very low122 Ų122141.8 Ų141.874%0.73978%0.779SS**  trans-70.6106.6165.2174.40000107V193V191-V193 PolarHBondContact O-N 3.25Å
192L42.4Very low41.3Very low141 Ų141144.5 Ų144.574%0.73880%0.798SS**  trans-61.795.9168.1-14985.3000107.9L190 G194L190-L192 PolarHBondContact O-N 3.06Å; L190-L192 VanDerWaalsContact O-N 3.16Å; L192-G194 VanDerWaalsContact C-N 3.26Å; L192-G194 PolarHBondContact O-N 2.97Å
193V41.1Very low41Very low148 Ų148143 Ų14390%0.89780%0.798SS**  trans-70.689.8168.3177.90000107.1V191V191-V193 PolarHBondContact O-N 3.25Å
194G34.8Very low41.1Very low57 Ų57141.2 Ų141.259%0.58880%0.795SS**  trans-171.340.1-174.300000112.3L192L192-G194 VanDerWaalsContact C-N 3.26Å; L192-G194 PolarHBondContact O-N 2.97Å
195Q37.8Very low41Very low183 Ų183146.5 Ų146.586%0.85580%0.797SS**  trans-137.8117170.4-64.9-165.8300110.9
196A33.7Very low40.9Very low100 Ų100143.6 Ų143.683%0.82679%0.791SS**  trans55.5108.4142.900000120
197S43.1Very low40.8Very low122 Ų122145.3 Ų145.385%0.85380%0.803SS**  trans-133.375.7143.947.80000109.6
198R51.1Low41Very low230 Ų230144.3 Ų144.387%0.86879%0.794SS**  trans-62.7133158.4-89.6179.3166.1-179.8-3.8107.8Q200R198-Q200 PolarHBondContact O-N 3.44Å; R198-Q200 VanDerWaalsContact O-N 3.12Å
199P48.2Very low40.8Very low118 Ų118144.3 Ų144.377%0.76679%0.794SS**  trans-72.6106.4163.428.9-27.9000107.7S201P199-S201 VanDerWaalsContact C-N 3.32Å; P199-S201 PolarHBondContact O-N 3.2Å; P199-S201 VanDerWaalsContact O-N 3.08Å
200Q37.9Very low40.5Very low192 Ų192145 Ų14590%0.89780%0.797SS**  trans-68.695159.3-74.5-167.6-0.700107.2R198 A202R198-Q200 PolarHBondContact O-N 3.44Å; R198-Q200 VanDerWaalsContact O-N 3.12Å; Q200-A202 PolarHBondContact O-N 3.02Å
201S47.1Very low40.9Very low108 Ų108147 Ų14776%0.75580%0.799SS**  trans-77.6110.8164.346.30000108.3P199 L203P199-S201 VanDerWaalsContact C-N 3.32Å; P199-S201 PolarHBondContact O-N 3.2Å; P199-S201 VanDerWaalsContact O-N 3.08Å; S201-L203 PolarHBondContact O-N 3.33Å
202A41Very low40.6Very low97 Ų97152.9 Ų152.980%0.80281%0.808SS**  trans-58.8112.6179.200000111.5Q200 C204Q200-A202 PolarHBondContact O-N 3.02Å; A202-C204 PolarHBondContact O-N 2.68Å
203L35.5Very low40.5Very low158 Ų158150.9 Ų150.983%0.82781%0.806SS**  trans-74.199.9152.8-88120.9000107.6S201S201-L203 PolarHBondContact O-N 3.33Å
204C41.4Very low40.4Very low101 Ų101148.4 Ų148.468%0.68280%0.795SS**  trans-117.594.3159.9-157.50000108A202A202-C204 PolarHBondContact O-N 2.68Å
205R37.3Very low40.5Very low228 Ų228152.1 Ų152.186%0.8680%0.802SS**  trans-68.7121.1160.7-66.7-177.6-167.3-165.83.5107
206K42.8Very low40.4Very low183 Ų183152.6 Ų152.680%0.79680%0.797SS**  trans-125.999.1155.1-85.4-177.8176.4178.50108.4
207S37.1Very low40.7Very low115 Ų115152 Ų15280%0.80479%0.787SS**  trans-57.4125.7154.551.30000108.9
208Q47.4Very low40.7Very low164 Ų164154.8 Ų154.877%0.76678%0.784SS**  trans-140.3109.7154.8-77.8-159.7-13.900110.2
209H40.5Very low39.9Very low165 Ų165151.5 Ų151.576%0.76478%0.783SS**  trans68.1105.1133-69.7-67.1000120.4
210D35.5Very low39.4Very low155 Ų155151.5 Ų151.583%0.82978%0.781SS**  trans-28.6132.5140.3-59-63.8000115.1
211K44.2Very low39.2Very low200 Ų200151.4 Ų151.487%0.8778%0.781SS**  trans-139104145.7-73.2-174.5-179.7177.60106.7
212R33.9Very low39.1Very low245 Ų245154.3 Ų154.393%0.92578%0.783SS**  42.3108.1101.4-85.9-172.8174.2-163.1-0.9113.4
213S38.7Very low38.7Very low99 Ų99159.7 Ų159.769%0.69278%0.782SS**  -148.6107.9111.9-153.10000109.6D215S213-D215 PolarHBondContact OG-OD2 3.42Å; S213-D215 VanDerWaalsContact OG-OD2 3.09Å
214S39Very low39.2Very low96 Ų96158.8 Ų158.867%0.67178%0.777SS**  trans-87.5114159.3165.50000104.9
215D37.2Very low39.1Very low136 Ų136161.1 Ų161.173%0.72778%0.78SS**  trans-116.1103.7167.5-81.5-49.4000109.3S213S213-D215 PolarHBondContact OG-OD2 3.42Å; S213-D215 VanDerWaalsContact OG-OD2 3.09Å
216Y35.6Very low39.5Very low192 Ų192160.8 Ų160.875%0.75378%0.779SS**  trans-19.6142.2145.4-55.1-95.9000112.8
217S40.5Very low39.6Very low89 Ų89163.5 Ų163.562%0.62278%0.784SS**  172.1136.478.7-91.90000111.4
218K44Very low39.5Very low180 Ų180162.1 Ų162.178%0.78378%0.779SS**  trans74.789.9132.5-61.3171.6-169.8-178.50118
219N33.2Very low39.4Very low161 Ų161158.4 Ų158.486%0.86177%0.772SS**  -7.3120.6119.7-62.4-21.3000113.9
220T37.3Very low39.6Very low117 Ų117159.6 Ų159.672%0.71878%0.777SS**  trans-150.890.5147.4-62.10000107.3Q222T220-Q222 HydrophobicContact CG2-CG 4.35Å; T220-Q222 PolarHBondContact O-N 3.38Å
221E34.6Very low40.4Very low191 Ų191155.2 Ų155.289%0.89376%0.759SS**  trans-63.2105.3162.7-70.9-179138.700108.7
222Q44Very low41Very low169 Ų169148.3 Ų148.379%0.7974%0.736SS**  trans-97.687.1160.4-92.1-178.4-3.300109.3T220 L224T220-Q222 HydrophobicContact CG2-CG 4.35Å; T220-Q222 PolarHBondContact O-N 3.38Å; Q222-L224 PolarHBondContact O-N 3.36Å; Q222-L224 VanDerWaalsContact O-N 3.1Å
223R34.3Very low42.1Very low209 Ų209142.5 Ų142.579%0.78972%0.722SS**  trans-64.291.9164.6-179.5177.4174.7173.2-2.4109.4
224L45.2Very low43.5Very low140 Ų140143 Ų14373%0.73372%0.718SS**  trans-98.895.6164.2-85.8164.1000109.2Q222 R226Q222-L224 PolarHBondContact O-N 3.36Å; Q222-L224 VanDerWaalsContact O-N 3.1Å; L224-R226 PolarHBondContact O-N 3.14Å; L224-R226 VanDerWaalsContact O-N 3.11Å
225M38.6Very low44.8Very low149 Ų149145.6 Ų145.673%0.73472%0.716SS**  trans-56.5105.5163.3-78.2-75.8-161.700109.2
226R46.9Very low46.6Very low222 Ų222143.7 Ų143.784%0.83870%0.703SS**  trans-135.2102.6162.7-80.6-168.2-177.6178.72.6110.5L224L224-R226 PolarHBondContact O-N 3.14Å; L224-R226 VanDerWaalsContact O-N 3.11Å
227R43.6Very low48.7Very low239 Ų239142.3 Ų142.390%0.90270%0.697SS**  trans26.7104.8152.1-101174.3172176.1-3115.9S229R227-S229 PolarHBondContact O-N 3.34Å
228A35.5Very low50.7Low86 Ų86142.8 Ų142.871%0.71169%0.689SS**  trans-57.796.4161.700000110.1
229S44.3Very low52.7Low87 Ų87139.7 Ų139.761%0.60868%0.676SS**  trans-76.6140.1151.1-57.90000106.7R227 S231 S232R227-S229 PolarHBondContact O-N 3.34Å; S229-S231 PolarHBondContact O-N 2.85Å; S229-S232 WeakPolarHBondContact O-CB 3.48Å; S229-S232 PolarHBondContact O-N 2.84Å
230H45.4Very low55.3Low189 Ų189138.5 Ų138.588%0.87566%0.66SS**THydrogen-bonded Turntrans-62.217.1-178.1-76.4-94000115.5
231S52.7Low57.6Low64 Ų64138.4 Ų138.445%0.44865%0.649SS.*THydrogen-bonded Turntrans-89-6.1160.6162.60000113.1S229S229-S231 PolarHBondContact O-N 2.85Å
232S56.2Low60.1Low54 Ų54137.6 Ų137.638%0.37864%0.638SS.*Hα-helixtrans-71.9-36-174.8-175.40000114.6S229 D234 K235 E236S229-S232 WeakPolarHBondContact O-CB 3.48Å; S229-S232 PolarHBondContact O-N 2.84Å; S232-D234 VanDerWaalsContact C-N 3.33Å; S232-D234 PolarHBondContact O-N 3.27Å; S232-K235 PolarHBondContact O-N 3.12Å; S232-E236 WeakPolarHBondContact O-CB 3.39Å; S232-E236 PolarHBondContact O-N 2.93Å
233L57.7Low62.2Low123 Ų123133.1 Ų133.164%0.64462%0.616SS**Hα-helixtrans-68.4-33-178.8-74.7171.7000112.4R237L233-R237 VanDerWaalsContact O-CB 3.29Å; L233-R237 WeakPolarHBondContact O-CB 3.46Å; L233-R237 PolarHBondContact O-N 3.01Å
234D67.6Low64.8Low111 Ų111128.5 Ų128.559%0.59460%0.603SS**Hα-helixtrans-70.6-39.6174-85.9-30.5000112S232 R237 Q238S232-D234 VanDerWaalsContact C-N 3.33Å; S232-D234 PolarHBondContact O-N 3.27Å; D234-R237 PolarHBondContact O-N 2.91Å; D234-Q238 VanDerWaalsContact O-CB 3.23Å; D234-Q238 WeakPolarHBondContact O-CB 3.38Å; D234-Q238 WeakPolarHBondContact O-CG 3.3Å; D234-Q238 PolarHBondContact O-N 3.4Å
235K67.1Low67Low149 Ų149125.1 Ų125.165%0.64859%0.588SS**Hα-helixtrans-66.2-38.2175.9-69.3-178.3-177.11790112S232 Q238 F239S232-K235 PolarHBondContact O-N 3.12Å; K235-Q238 PolarHBondContact O-N 3.35Å; K235-F239 WeakPolarHBondContact O-CB 3.49Å; K235-F239 PolarHBondContact O-N 3.44Å
236E73.3Confident69.5Low97 Ų97123.5 Ų123.545%0.45358%0.579SS.*Hα-helixtrans-70.1-43175.4-178.1168.9-163.100112.1S232 Q238 F239 W240S232-E236 WeakPolarHBondContact O-CB 3.39Å; S232-E236 PolarHBondContact O-N 2.93Å; E236-Q238 VanDerWaalsContact C-N 3.3Å; E236-Q238 PolarHBondContact O-N 3.1Å; E236-F239 WeakPolarHBondContact O-CB 3.49Å; E236-F239 PolarHBondContact O-N 3.27Å; E236-F239 VanDerWaalsContact O-N 3.13Å; E236-W240 VanDerWaalsContact O-CD1 3.24Å; E236-W240 PolarHBondContact O-N 3.48Å
237R80.4Confident71.6Confident162 Ų162117.1 Ų117.161%0.61156%0.559SS**Hα-helixtrans-60-42172.2-176.4-174.7-74.9-99.25.6111.4L233 D234 F239 K241L233-R237 VanDerWaalsContact O-CB 3.29Å; L233-R237 WeakPolarHBondContact O-CB 3.46Å; L233-R237 PolarHBondContact O-N 3.01Å; D234-R237 PolarHBondContact O-N 2.91Å; R237-F239 VanDerWaalsContact C-N 3.34Å; R237-K241 WeakPolarHBondContact O-CB 3.47Å; R237-K241 WeakPolarHBondContact O-CG 3.4Å; R237-K241 PolarHBondContact O-N 3.21Å
238Q83.1Confident73.9Confident99 Ų99110.5 Ų110.546%0.46354%0.538SS..Hα-helixtrans-63.1-40173.9-73.3-84.6-5.800111.5D234 K235 E236 R242D234-Q238 VanDerWaalsContact O-CB 3.23Å; D234-Q238 WeakPolarHBondContact O-CB 3.38Å; D234-Q238 WeakPolarHBondContact O-CG 3.3Å; D234-Q238 PolarHBondContact O-N 3.4Å; K235-Q238 PolarHBondContact O-N 3.35Å; E236-Q238 VanDerWaalsContact C-N 3.3Å; E236-Q238 PolarHBondContact O-N 3.1Å; Q238-R242 VanDerWaalsContact O-CG 3.28Å; Q238-R242 WeakPolarHBondContact O-CG 3.37Å; Q238-R242 PolarHBondContact O-N 3.46Å
239F85.9Confident76.6Confident116 Ų116110.3 Ų110.351%0.50952%0.524SS..Hα-helixtrans-63.4-50.8175.3172.1-95.4000111.9K235 E236 R237 K241 R242 K243K235-F239 WeakPolarHBondContact O-CB 3.49Å; K235-F239 PolarHBondContact O-N 3.44Å; E236-F239 WeakPolarHBondContact O-CB 3.49Å; E236-F239 PolarHBondContact O-N 3.27Å; E236-F239 VanDerWaalsContact O-N 3.13Å; R237-F239 VanDerWaalsContact C-N 3.34Å; F239-K241 VanDerWaalsContact C-N 3.32Å; F239-K241 PolarHBondContact O-N 2.9Å; F239-R242 PolarHBondContact O-N 2.86Å; F239-R242 VanDerWaalsContact O-N 3.16Å; F239-K243 HydrophobicContact CE1-CD 4.3Å; F239-K243 HydrophobicContact CZ-CD 4.43Å; F239-K243 WeakPolarHBondContact O-CB 3.43Å; F239-K243 PolarHBondContact O-N 3.08Å
240W86.5Confident78.9Confident136 Ų136110.2 Ų110.252%0.51551%0.514SS..Hα-helixtrans-62.8-38.2177.5-76.1112.8000112.1E236 K243 Q244E236-W240 VanDerWaalsContact O-CD1 3.24Å; E236-W240 PolarHBondContact O-N 3.48Å; W240-K243 HydrophobicContact CE3-CD 4.12Å; W240-K243 HydrophobicContact CZ3-CD 3.91Å; W240-K243 PolarHBondContact O-N 3Å; W240-Q244 VanDerWaalsContact O-CB 3.25Å; W240-Q244 WeakPolarHBondContact O-CB 3.44Å; W240-Q244 PolarHBondContact O-N 3.32Å
241K85.9Confident81.1Confident114 Ų114104.4 Ų104.450%0.49649%0.49SS..Hα-helixtrans-58.7-49.5170.6-80.9-176.4177.6-173.30111.6R237 F239 K243 Q244 T245R237-K241 WeakPolarHBondContact O-CB 3.47Å; R237-K241 WeakPolarHBondContact O-CG 3.4Å; R237-K241 PolarHBondContact O-N 3.21Å; F239-K241 VanDerWaalsContact C-N 3.32Å; F239-K241 PolarHBondContact O-N 2.9Å; K241-K243 PolarHBondContact O-N 2.88Å; K241-Q244 PolarHBondContact O-N 3.35Å; K241-T245 WeakPolarHBondContact O-CB 3.47Å; K241-T245 PolarHBondContact O-N 3.3Å; K241-T245 PolarHBondContact O-OG1 3.31Å
242R87Confident83.1Confident174 Ų174105 Ų10566%0.65749%0.487SS*.Hα-helixtrans-61.6-43.3177.9-71.7175.8-151.6-169.74.1112.3Q238 F239 T245 Q246Q238-R242 VanDerWaalsContact O-CG 3.28Å; Q238-R242 WeakPolarHBondContact O-CG 3.37Å; Q238-R242 PolarHBondContact O-N 3.46Å; F239-R242 PolarHBondContact O-N 2.86Å; F239-R242 VanDerWaalsContact O-N 3.16Å; R242-T245 PolarHBondContact O-N 2.85Å; R242-Q246 VanDerWaalsContact O-CB 3.3Å; R242-Q246 WeakPolarHBondContact O-CB 3.42Å; R242-Q246 PolarHBondContact O-N 3.37Å
243K88.9Confident84.9Confident76 Ų76107.5 Ų107.533%0.3349%0.494SS..Hα-helixtrans-63.5-44.1178-175.5175.5175.8-177.50111.1F239 W240 K241 Q246 E247F239-K243 HydrophobicContact CE1-CD 4.3Å; F239-K243 HydrophobicContact CZ-CD 4.43Å; F239-K243 WeakPolarHBondContact O-CB 3.43Å; F239-K243 PolarHBondContact O-N 3.08Å; W240-K243 HydrophobicContact CE3-CD 4.12Å; W240-K243 HydrophobicContact CZ3-CD 3.91Å; W240-K243 PolarHBondContact O-N 3Å; K241-K243 PolarHBondContact O-N 2.88Å; K243-Q246 PolarHBondContact O-N 3.07Å; K243-E247 WeakPolarHBondContact CE-OE1 3.31Å; K243-E247 WeakPolarHBondContact O-CB 3.4Å; K243-E247 WeakPolarHBondContact O-CG 3.45Å; K243-E247 PolarHBondContact O-N 2.9Å
244Q89.3Confident86.6Confident111 Ų111108.3 Ų108.352%0.51949%0.488SS..Hα-helixtrans-61.7-45174.4-174.4178.230.800111.4W240 K241 Q246 E247 Q248W240-Q244 VanDerWaalsContact O-CB 3.25Å; W240-Q244 WeakPolarHBondContact O-CB 3.44Å; W240-Q244 PolarHBondContact O-N 3.32Å; K241-Q244 PolarHBondContact O-N 3.35Å; Q244-Q246 VanDerWaalsContact C-N 3.3Å; Q244-Q246 PolarHBondContact O-N 3.5Å; Q244-E247 PolarHBondContact O-N 3.45Å; Q244-Q248 WeakPolarHBondContact O-CB 3.39Å; Q244-Q248 VanDerWaalsContact O-CG 3.25Å; Q244-Q248 WeakPolarHBondContact O-CG 3.39Å; Q244-Q248 PolarHBondContact O-N 3.29Å
245T90.6Very high87.8Confident69 Ų69107.6 Ų107.642%0.42348%0.481SS..Hα-helixtrans-61.7-39.3174.4-55.40000111.5K241 R242 Q248 I249K241-T245 WeakPolarHBondContact O-CB 3.47Å; K241-T245 PolarHBondContact O-N 3.3Å; K241-T245 PolarHBondContact O-OG1 3.31Å; R242-T245 PolarHBondContact O-N 2.85Å; T245-Q248 PolarHBondContact O-N 2.97Å; T245-I249 HydrophobicContact CG2-CD1 4.05Å; T245-I249 WeakPolarHBondContact O-CD1 3.4Å; T245-I249 VanDerWaalsContact O-CG1 3.24Å; T245-I249 WeakPolarHBondContact O-CG1 3.33Å; T245-I249 PolarHBondContact O-N 2.94Å
246Q90.6Very high89.1Confident115 Ų115107.1 Ų107.154%0.53748%0.475SS..Hα-helixtrans-68-43.4177.6-173.3175.219.200112R242 K243 Q244 Q248 I249 Q250R242-Q246 VanDerWaalsContact O-CB 3.3Å; R242-Q246 WeakPolarHBondContact O-CB 3.42Å; R242-Q246 PolarHBondContact O-N 3.37Å; K243-Q246 PolarHBondContact O-N 3.07Å; Q244-Q246 VanDerWaalsContact C-N 3.3Å; Q244-Q246 PolarHBondContact O-N 3.5Å; Q246-Q248 VanDerWaalsContact C-N 3.33Å; Q246-I249 PolarHBondContact O-N 3.3Å; Q246-Q250 WeakPolarHBondContact O-CG 3.33Å; Q246-Q250 PolarHBondContact O-N 3.37Å
247E91.1Very high90.1Very high89 Ų89104.6 Ų104.642%0.41647%0.471SS..Hα-helixtrans-63.9-38.9174.5-76.1174.7-175.200111.4K243 Q244 Q250 N251K243-E247 WeakPolarHBondContact CE-OE1 3.31Å; K243-E247 WeakPolarHBondContact O-CB 3.4Å; K243-E247 WeakPolarHBondContact O-CG 3.45Å; K243-E247 PolarHBondContact O-N 2.9Å; Q244-E247 PolarHBondContact O-N 3.45Å; E247-Q250 PolarHBondContact O-N 3.08Å; E247-N251 VanDerWaalsContact O-CB 3.31Å; E247-N251 WeakPolarHBondContact O-CB 3.32Å; E247-N251 PolarHBondContact O-N 2.88Å; E247-N251 PolarHBondContact O-ND2 2.97Å
248Q92.3Very high90.9Very high99 Ų99102.3 Ų102.346%0.46347%0.467SS..Hα-helixtrans-61.2-48.6172-77.6173.8-12.700111.3Q244 T245 Q246 Q250 N251 D252Q244-Q248 WeakPolarHBondContact O-CB 3.39Å; Q244-Q248 VanDerWaalsContact O-CG 3.25Å; Q244-Q248 WeakPolarHBondContact O-CG 3.39Å; Q244-Q248 PolarHBondContact O-N 3.29Å; T245-Q248 PolarHBondContact O-N 2.97Å; Q246-Q248 VanDerWaalsContact C-N 3.33Å; Q248-Q250 VanDerWaalsContact C-N 3.32Å; Q248-Q250 PolarHBondContact O-N 3.06Å; Q248-N251 PolarHBondContact O-N 2.92Å; Q248-D252 WeakPolarHBondContact O-CB 3.45Å; Q248-D252 PolarHBondContact O-N 2.97Å
249I92.9Very high91.4Very high82 Ų82102.9 Ų102.942%0.42147%0.468SS..Hα-helixtrans-58.4-44.7176.3-69.8162.6000110.9T245 Q246 D252 E253T245-I249 HydrophobicContact CG2-CD1 4.05Å; T245-I249 WeakPolarHBondContact O-CD1 3.4Å; T245-I249 VanDerWaalsContact O-CG1 3.24Å; T245-I249 WeakPolarHBondContact O-CG1 3.33Å; T245-I249 PolarHBondContact O-N 2.94Å; Q246-I249 PolarHBondContact O-N 3.3Å; I249-D252 PolarHBondContact O-N 3.49Å; I249-E253 HydrophobicContact CG2-CG 4.47Å; I249-E253 WeakPolarHBondContact O-CB 3.42Å; I249-E253 VanDerWaalsContact O-CG 3.25Å; I249-E253 WeakPolarHBondContact O-CG 3.49Å; I249-E253 PolarHBondContact O-N 3.4Å
250Q91.5Very high91.9Very high86 Ų86100 Ų10040%0.40246%0.461SS..Hα-helixtrans-67.5-36.3178-72.9179.55.800113.3Q246 E247 Q248 R254Q246-Q250 WeakPolarHBondContact O-CG 3.33Å; Q246-Q250 PolarHBondContact O-N 3.37Å; E247-Q250 PolarHBondContact O-N 3.08Å; Q248-Q250 VanDerWaalsContact C-N 3.32Å; Q248-Q250 PolarHBondContact O-N 3.06Å; Q250-R254 WeakPolarHBondContact O-CB 3.45Å; Q250-R254 WeakPolarHBondContact O-CG 3.41Å; Q250-R254 PolarHBondContact O-N 3.45Å; Q250-R254 PolarHBondContact O-NE 2.99Å
251N93Very high92.2Very high67 Ų67101.1 Ų101.136%0.35847%0.467SS..Hα-helixtrans-65.8-46.6173.7-77.1-18.9000110.1E247 Q248 E253 R254 E255E247-N251 VanDerWaalsContact O-CB 3.31Å; E247-N251 WeakPolarHBondContact O-CB 3.32Å; E247-N251 PolarHBondContact O-N 2.88Å; E247-N251 PolarHBondContact O-ND2 2.97Å; Q248-N251 PolarHBondContact O-N 2.92Å; N251-E253 VanDerWaalsContact C-N 3.31Å; N251-E253 PolarHBondContact O-N 2.99Å; N251-R254 CarbonylContact O-C 3.6Å; N251-R254 WeakPolarHBondContact O-CB 3.46Å; N251-R254 PolarHBondContact O-N 3.42Å; N251-R254 VanDerWaalsContact O-N 3.11Å; N251-R254 PolarHBondContact OD1-NH1 3.37Å; N251-R254 PolarHBondContact OD1-NH2 2.98Å; N251-E255 PolarHBondContact O-N 3.16Å
252D94.8Very high92.7Very high75 Ų75101.1 Ų101.140%0.40147%0.468SS..Hα-helixtrans-61.8-39.5177.2-68.6-11.5000111.6Q248 I249 R256Q248-D252 WeakPolarHBondContact O-CB 3.45Å; Q248-D252 PolarHBondContact O-N 2.97Å; I249-D252 PolarHBondContact O-N 3.49Å; D252-R256 VanDerWaalsContact O-CB 3.3Å; D252-R256 WeakPolarHBondContact O-CB 3.45Å; D252-R256 VanDerWaalsContact O-CG 3.23Å; D252-R256 WeakPolarHBondContact O-CG 3.48Å; D252-R256 PolarHBondContact O-N 3.45Å; D252-R256 PolarHBondContact O-NE 3.25Å
253E93.2Very high93.1Very high108 Ų10898 Ų9851%0.50546%0.462SS..Hα-helixtrans-62.5-43.3172.9-76.6175.4177.800111.9I249 N251 R256 A257I249-E253 HydrophobicContact CG2-CG 4.47Å; I249-E253 WeakPolarHBondContact O-CB 3.42Å; I249-E253 VanDerWaalsContact O-CG 3.25Å; I249-E253 WeakPolarHBondContact O-CG 3.49Å; I249-E253 PolarHBondContact O-N 3.4Å; N251-E253 VanDerWaalsContact C-N 3.31Å; N251-E253 PolarHBondContact O-N 2.99Å; E253-R256 PolarHBondContact O-N 3.04Å; E253-A257 WeakPolarHBondContact O-CB 3.3Å; E253-A257 PolarHBondContact O-N 3.12Å
254R93.2Very high93.4Very high139 Ų13999.8 Ų99.853%0.52547%0.469SS..Hα-helixtrans-64.7-44.2175.9-80.5-175.7-84151.2-12.2112.1Q250 N251 A257 Q258Q250-R254 WeakPolarHBondContact O-CB 3.45Å; Q250-R254 WeakPolarHBondContact O-CG 3.41Å; Q250-R254 PolarHBondContact O-N 3.45Å; Q250-R254 PolarHBondContact O-NE 2.99Å; N251-R254 CarbonylContact O-C 3.6Å; N251-R254 WeakPolarHBondContact O-CB 3.46Å; N251-R254 PolarHBondContact O-N 3.42Å; N251-R254 VanDerWaalsContact O-N 3.11Å; N251-R254 PolarHBondContact OD1-NH1 3.37Å; N251-R254 PolarHBondContact OD1-NH2 2.98Å; R254-A257 PolarHBondContact O-N 3.38Å; R254-Q258 WeakPolarHBondContact O-CB 3.45Å; R254-Q258 WeakPolarHBondContact O-CG 3.44Å; R254-Q258 PolarHBondContact O-N 3.01Å
255E93.7Very high93.7Very high96 Ų96100.1 Ų100.145%0.44947%0.474SS..Hα-helixtrans-63.9-42.2175.9-75.5-168-171.700111.7N251 A257 Q258 K259N251-E255 PolarHBondContact O-N 3.16Å; E255-A257 VanDerWaalsContact C-N 3.32Å; E255-A257 PolarHBondContact O-N 3.47Å; E255-Q258 PolarHBondContact O-N 3.18Å; E255-K259 WeakPolarHBondContact O-CB 3.46Å; E255-K259 VanDerWaalsContact O-CG 3.31Å; E255-K259 WeakPolarHBondContact O-CG 3.3Å; E255-K259 PolarHBondContact O-N 3.13Å; E255-K259 IonicContact OE2-NZ 3.14Å
256R94.7Very high94Very high140 Ų140100.7 Ų100.753%0.52847%0.474SS..Hα-helixtrans-60.6-42.6174.1-78.5-173.9-69.7-98.61.4111.5D252 E253 C260D252-R256 VanDerWaalsContact O-CB 3.3Å; D252-R256 WeakPolarHBondContact O-CB 3.45Å; D252-R256 VanDerWaalsContact O-CG 3.23Å; D252-R256 WeakPolarHBondContact O-CG 3.48Å; D252-R256 PolarHBondContact O-N 3.45Å; D252-R256 PolarHBondContact O-NE 3.25Å; E253-R256 PolarHBondContact O-N 3.04Å; R256-C260 WeakPolarHBondContact O-CB 2.8Å; R256-C260 PolarHBondContact O-N 2.93Å
257A94.3Very high94.3Very high43 Ų43101.1 Ų101.136%0.35547%0.474SS..Hα-helixtrans-63-48.3175.700000111.3E253 R254 E255 C260 Y261E253-A257 WeakPolarHBondContact O-CB 3.3Å; E253-A257 PolarHBondContact O-N 3.12Å; R254-A257 PolarHBondContact O-N 3.38Å; E255-A257 VanDerWaalsContact C-N 3.32Å; E255-A257 PolarHBondContact O-N 3.47Å; A257-C260 WeakPolarHBondContact O-CB 3.49Å; A257-C260 PolarHBondContact O-N 2.91Å; A257-Y261 HydrophobicContact CB-CE2 4.35Å; A257-Y261 WeakPolarHBondContact O-CD2 3.38Å; A257-Y261 PolarHBondContact O-N 2.61Å
258Q95.4Very high94.5Very high114 Ų114101 Ų10153%0.53348%0.48SS..Hα-helixtrans-57.7-49.7177.3-75.9176.9-9.300111.9R254 E255 C260 Y261 E262R254-Q258 WeakPolarHBondContact O-CB 3.45Å; R254-Q258 WeakPolarHBondContact O-CG 3.44Å; R254-Q258 PolarHBondContact O-N 3.01Å; E255-Q258 PolarHBondContact O-N 3.18Å; Q258-C260 VanDerWaalsContact C-N 3.31Å; Q258-C260 PolarHBondContact O-N 3.41Å; Q258-Y261 WeakPolarHBondContact O-CB 3.45Å; Q258-Y261 PolarHBondContact O-N 3Å; Q258-E262 WeakPolarHBondContact O-CG 3.28Å; Q258-E262 PolarHBondContact O-N 2.69Å
259K95Very high94.7Very high112 Ų112101.1 Ų101.149%0.48748%0.48SS..Hα-helixtrans-57.3-43.4175.9-72.8171.9-176.1165.60111.7E255 Y261 E262 E263E255-K259 WeakPolarHBondContact O-CB 3.46Å; E255-K259 VanDerWaalsContact O-CG 3.31Å; E255-K259 WeakPolarHBondContact O-CG 3.3Å; E255-K259 PolarHBondContact O-N 3.13Å; E255-K259 IonicContact OE2-NZ 3.14Å; K259-Y261 PolarHBondContact O-N 3.22Å; K259-E262 PolarHBondContact O-N 3.11Å; K259-E263 WeakPolarHBondContact O-CB 3.39Å; K259-E263 WeakPolarHBondContact O-CG 3.11Å; K259-E263 PolarHBondContact O-N 3.44Å
260C94.9Very high94.8Very high55 Ų55104.5 Ų104.537%0.37249%0.492SS..Hα-helixtrans-62.2-39.4175.5-178.10000112.5R256 A257 Q258 K264R256-C260 WeakPolarHBondContact O-CB 2.8Å; R256-C260 PolarHBondContact O-N 2.93Å; A257-C260 WeakPolarHBondContact O-CB 3.49Å; A257-C260 PolarHBondContact O-N 2.91Å; Q258-C260 VanDerWaalsContact C-N 3.31Å; Q258-C260 PolarHBondContact O-N 3.41Å; C260-K264 VanDerWaalsContact O-CG 3.29Å; C260-K264 WeakPolarHBondContact O-CG 3.37Å; C260-K264 PolarHBondContact O-N 3.41Å; C260-K264 VanDerWaalsContact O-N 3.14Å
261Y94Very high95Very high160 Ų160106 Ų10663%0.62750%0.499SS*.Hα-helixtrans-67.9-43.7175-75.8-67.5000112.4A257 Q258 K259 K264 L265A257-Y261 HydrophobicContact CB-CE2 4.35Å; A257-Y261 WeakPolarHBondContact O-CD2 3.38Å; A257-Y261 PolarHBondContact O-N 2.61Å; Q258-Y261 WeakPolarHBondContact O-CB 3.45Å; Q258-Y261 PolarHBondContact O-N 3Å; K259-Y261 PolarHBondContact O-N 3.22Å; Y261-K264 WeakPolarHBondContact O-CB 3.07Å; Y261-K264 PolarHBondContact O-N 2.89Å; Y261-L265 PolarHBondContact O-N 2.89Å
262E95.4Very high95.2Very high113 Ų113110.9 Ų110.953%0.52851%0.512SS..Hα-helixtrans-62.9-42.2176.9-73.3175.5-17700111.8Q258 K259 K264 L265 N266Q258-E262 WeakPolarHBondContact O-CG 3.28Å; Q258-E262 PolarHBondContact O-N 2.69Å; K259-E262 PolarHBondContact O-N 3.11Å; E262-K264 VanDerWaalsContact C-N 3.33Å; E262-K264 PolarHBondContact O-N 3.3Å; E262-L265 PolarHBondContact O-N 2.69Å; E262-N266 WeakPolarHBondContact O-CB 3.35Å; E262-N266 VanDerWaalsContact O-CG 3.31Å; E262-N266 PolarHBondContact O-N 2.92Å; E262-N266 PolarHBondContact O-ND2 2.84Å
263E95.5Very high95.3Very high110 Ų110110.7 Ų110.751%0.51451%0.511SS..Hα-helixtrans-61.3-41.1174-77.2-179.6-164.100112.3K259 K267K259-E263 WeakPolarHBondContact O-CB 3.39Å; K259-E263 WeakPolarHBondContact O-CG 3.11Å; K259-E263 PolarHBondContact O-N 3.44Å; E263-K267 WeakPolarHBondContact O-CB 3.46Å; E263-K267 WeakPolarHBondContact O-CG 3.46Å; E263-K267 PolarHBondContact O-N 3.23Å
264K96.1Very high95.4Very high113 Ų113112 Ų11249%0.49152%0.517SS..Hα-helixtrans-63.5-44.3174.6-74.4171.5-176.11750111C260 Y261 E262 K267 V268C260-K264 VanDerWaalsContact O-CG 3.29Å; C260-K264 WeakPolarHBondContact O-CG 3.37Å; C260-K264 PolarHBondContact O-N 3.41Å; C260-K264 VanDerWaalsContact O-N 3.14Å; Y261-K264 WeakPolarHBondContact O-CB 3.07Å; Y261-K264 PolarHBondContact O-N 2.89Å; E262-K264 VanDerWaalsContact C-N 3.33Å; E262-K264 PolarHBondContact O-N 3.3Å; K264-K267 PolarHBondContact O-N 2.94Å; K264-V268 WeakPolarHBondContact O-CG2 3.49Å; K264-V268 PolarHBondContact O-N 3.46Å
265L95.5Very high95.6Very high117 Ų117109.4 Ų109.461%0.61351%0.513SS*.Hα-helixtrans-61.4-47.7177.3-174.966000111.2Y261 E262 K267 V268 E269Y261-L265 PolarHBondContact O-N 2.89Å; E262-L265 PolarHBondContact O-N 2.69Å; L265-K267 VanDerWaalsContact C-N 3.32Å; L265-K267 PolarHBondContact O-N 3.48Å; L265-V268 PolarHBondContact O-N 3.35Å; L265-E269 WeakPolarHBondContact O-CB 3.5Å; L265-E269 PolarHBondContact O-N 3.06Å
266N96.1Very high95.7Very high81 Ų81108.9 Ų108.943%0.43351%0.513SS..Hα-helixtrans-60.4-39.1176.6-78-32.5000112.2E262 E269 K270E262-N266 WeakPolarHBondContact O-CB 3.35Å; E262-N266 VanDerWaalsContact O-CG 3.31Å; E262-N266 PolarHBondContact O-N 2.92Å; E262-N266 PolarHBondContact O-ND2 2.84Å; N266-E269 PolarHBondContact O-N 3.27Å; N266-K270 WeakPolarHBondContact O-CB 3.49Å; N266-K270 VanDerWaalsContact O-CG 3.25Å; N266-K270 WeakPolarHBondContact O-CG 3.36Å; N266-K270 PolarHBondContact O-N 3.17Å
267K96.5Very high95.8Very high124 Ų124108.4 Ų108.454%0.53952%0.515SS..Hα-helixtrans-63.2-46.1174.4-76.3167-176.4168.40111.2E263 K264 L265 K270 Q271E263-K267 WeakPolarHBondContact O-CB 3.46Å; E263-K267 WeakPolarHBondContact O-CG 3.46Å; E263-K267 PolarHBondContact O-N 3.23Å; K264-K267 PolarHBondContact O-N 2.94Å; L265-K267 VanDerWaalsContact C-N 3.32Å; L265-K267 PolarHBondContact O-N 3.48Å; K267-K270 PolarHBondContact O-N 3.4Å; K267-Q271 WeakPolarHBondContact O-CB 3.35Å; K267-Q271 VanDerWaalsContact O-CG 3.31Å; K267-Q271 WeakPolarHBondContact O-CG 3.31Å; K267-Q271 PolarHBondContact O-N 2.86Å
268V96.6Very high95.9Very high88 Ų88111.4 Ų111.453%0.53352%0.521SS..Hα-helixtrans-64.2-40.9177.3172.20000111.4K264 L265 Q271 R272K264-V268 WeakPolarHBondContact O-CG2 3.49Å; K264-V268 PolarHBondContact O-N 3.46Å; L265-V268 PolarHBondContact O-N 3.35Å; V268-Q271 PolarHBondContact O-N 2.8Å; V268-R272 WeakPolarHBondContact O-CB 3.5Å; V268-R272 PolarHBondContact O-N 3.32Å
269E95.6Very high95.9Very high100 Ų100112.3 Ų112.347%0.46752%0.523SS..Hα-helixtrans-65.9-43.6177.7-172.4175.4-167.300112L265 N266 Q271 R272 N273L265-E269 WeakPolarHBondContact O-CB 3.5Å; L265-E269 PolarHBondContact O-N 3.06Å; N266-E269 PolarHBondContact O-N 3.27Å; E269-Q271 PolarHBondContact O-N 2.9Å; E269-R272 PolarHBondContact O-N 3.48Å; E269-N273 WeakPolarHBondContact O-CB 3.45Å; E269-N273 PolarHBondContact O-N 3.37Å; E269-N273 PolarHBondContact O-ND2 2.93Å
270K96Very high96Very high154 Ų154112.1 Ų112.167%0.6752%0.524SS*.Hα-helixtrans-58.7-46172.8-75.7174.4-177.5-179.50111.6N266 K267 N273 Q274N266-K270 WeakPolarHBondContact O-CB 3.49Å; N266-K270 VanDerWaalsContact O-CG 3.25Å; N266-K270 WeakPolarHBondContact O-CG 3.36Å; N266-K270 PolarHBondContact O-N 3.17Å; K267-K270 PolarHBondContact O-N 3.4Å; K270-N273 PolarHBondContact O-N 3.18Å; K270-Q274 WeakPolarHBondContact O-CB 3.3Å; K270-Q274 PolarHBondContact O-N 2.96Å
271Q96.3Very high96Very high118 Ų118118 Ų11855%0.55154%0.539SS*.Hα-helixtrans-61-45.6175.9-74.8175.9-1200111.7K267 V268 E269 N273 Q274 I275K267-Q271 WeakPolarHBondContact O-CB 3.35Å; K267-Q271 VanDerWaalsContact O-CG 3.31Å; K267-Q271 WeakPolarHBondContact O-CG 3.31Å; K267-Q271 PolarHBondContact O-N 2.86Å; V268-Q271 PolarHBondContact O-N 2.8Å; E269-Q271 PolarHBondContact O-N 2.9Å; Q271-N273 PolarHBondContact O-N 2.86Å; Q271-Q274 PolarHBondContact O-N 3.32Å; Q271-I275 VanDerWaalsContact O-CG1 3.31Å; Q271-I275 WeakPolarHBondContact O-CG1 3.39Å; Q271-I275 PolarHBondContact O-N 2.93Å
272R95.7Very high96.1Very high169 Ų169115 Ų11564%0.63853%0.533SS*.Hα-helixtrans-58.2-47.3175.6176.9-175.6169.6179.5-3111.5V268 E269 Q274 I275 L276V268-R272 WeakPolarHBondContact O-CB 3.5Å; V268-R272 PolarHBondContact O-N 3.32Å; E269-R272 PolarHBondContact O-N 3.48Å; R272-Q274 VanDerWaalsContact C-N 3.32Å; R272-Q274 PolarHBondContact O-N 3.36Å; R272-I275 PolarHBondContact O-N 2.84Å; R272-L276 HydrophobicContact CG-CD1 4.31Å; R272-L276 WeakPolarHBondContact O-CG 3.37Å; R272-L276 PolarHBondContact O-N 3.44Å
273N96.8Very high96.1Very high71 Ų71115.3 Ų115.338%0.3854%0.536SS..Hα-helixtrans-65.4-36.2179.7-74.1-23.9000111.9E269 K270 Q271 L276 K277E269-N273 WeakPolarHBondContact O-CB 3.45Å; E269-N273 PolarHBondContact O-N 3.37Å; E269-N273 PolarHBondContact O-ND2 2.93Å; K270-N273 PolarHBondContact O-N 3.18Å; Q271-N273 PolarHBondContact O-N 2.86Å; N273-L276 PolarHBondContact O-N 3.49Å; N273-K277 WeakPolarHBondContact O-CG 3.43Å; N273-K277 PolarHBondContact O-N 2.92Å
274Q96.7Very high96.2Very high134 Ų134113.9 Ų113.963%0.62653%0.531SS*.Hα-helixtrans-64.4-45.8173.6-172.5172.53.900111.7K270 Q271 R272 L276 K277 E278K270-Q274 WeakPolarHBondContact O-CB 3.3Å; K270-Q274 PolarHBondContact O-N 2.96Å; Q271-Q274 PolarHBondContact O-N 3.32Å; R272-Q274 VanDerWaalsContact C-N 3.32Å; R272-Q274 PolarHBondContact O-N 3.36Å; Q274-L276 VanDerWaalsContact C-N 3.31Å; Q274-L276 PolarHBondContact O-N 3.42Å; Q274-K277 PolarHBondContact O-N 3.26Å; Q274-E278 WeakPolarHBondContact O-CB 3.48Å; Q274-E278 PolarHBondContact O-N 3.01Å
275I96.6Very high96.2Very high85 Ų85111 Ų11144%0.43653%0.529SS..Hα-helixtrans-60.6-41176-68.2165000111Q271 R272 E278 K279Q271-I275 VanDerWaalsContact O-CG1 3.31Å; Q271-I275 WeakPolarHBondContact O-CG1 3.39Å; Q271-I275 PolarHBondContact O-N 2.93Å; R272-I275 PolarHBondContact O-N 2.84Å; I275-E278 PolarHBondContact O-N 2.93Å; I275-K279 HydrophobicContact CG2-CD 4.06Å; I275-K279 HydrophobicContact CG2-CG 4.43Å; I275-K279 WeakPolarHBondContact O-CB 3.36Å; I275-K279 VanDerWaalsContact O-CG 3.27Å; I275-K279 WeakPolarHBondContact O-CG 3.48Å; I275-K279 PolarHBondContact O-N 3.23Å
276L96.2Very high96.2Very high86 Ų86107.2 Ų107.245%0.4551%0.514SS..Hα-helixtrans-64.5-45.7177.2-73.6173.7000111.9R272 N273 Q274 E278 K279 E280R272-L276 HydrophobicContact CG-CD1 4.31Å; R272-L276 WeakPolarHBondContact O-CG 3.37Å; R272-L276 PolarHBondContact O-N 3.44Å; N273-L276 PolarHBondContact O-N 3.49Å; Q274-L276 VanDerWaalsContact C-N 3.31Å; Q274-L276 PolarHBondContact O-N 3.42Å; L276-E278 VanDerWaalsContact C-N 3.32Å; L276-E278 PolarHBondContact O-N 2.92Å; L276-K279 PolarHBondContact O-N 2.96Å; L276-E280 WeakPolarHBondContact O-CB 3.29Å; L276-E280 PolarHBondContact O-N 3.12Å
277K96.7Very high96.3Very high129 Ų129108.7 Ų108.756%0.56152%0.518SS*.Hα-helixtrans-61.4-40.1175.6-73.6178.3179.9-1770112.2N273 Q274 E280 R281N273-K277 WeakPolarHBondContact O-CG 3.43Å; N273-K277 PolarHBondContact O-N 2.92Å; Q274-K277 PolarHBondContact O-N 3.26Å; K277-E280 PolarHBondContact O-N 3.1Å; K277-R281 VanDerWaalsContact O-CG 3.3Å; K277-R281 WeakPolarHBondContact O-CG 3.36Å; K277-R281 PolarHBondContact O-N 2.72Å
278E95.5Very high96.3Very high107 Ų107109.9 Ų109.950%0.552%0.521SS..Hα-helixtrans-66.7-43.2176.3-171.6177.3178.100111.8Q274 I275 L276 E280 R281 N282Q274-E278 WeakPolarHBondContact O-CB 3.48Å; Q274-E278 PolarHBondContact O-N 3.01Å; I275-E278 PolarHBondContact O-N 2.93Å; L276-E278 VanDerWaalsContact C-N 3.32Å; L276-E278 PolarHBondContact O-N 2.92Å; E278-E280 VanDerWaalsContact C-N 3.31Å; E278-E280 PolarHBondContact O-N 3.16Å; E278-R281 PolarHBondContact O-N 3.45Å; E278-N282 WeakPolarHBondContact O-CB 3.36Å; E278-N282 VanDerWaalsContact O-CG 3.27Å; E278-N282 PolarHBondContact O-N 3.47Å; E278-N282 PolarHBondContact O-ND2 3.44Å
279K96.6Very high96.2Very high132 Ų132110 Ų11057%0.57452%0.515SS*.Hα-helixtrans-59.2-41.5173.5-77176.4178.7-178.80112.1I275 L276 N282 M283I275-K279 HydrophobicContact CG2-CD 4.06Å; I275-K279 HydrophobicContact CG2-CG 4.43Å; I275-K279 WeakPolarHBondContact O-CB 3.36Å; I275-K279 VanDerWaalsContact O-CG 3.27Å; I275-K279 WeakPolarHBondContact O-CG 3.48Å; I275-K279 PolarHBondContact O-N 3.23Å; L276-K279 PolarHBondContact O-N 2.96Å; K279-N282 PolarHBondContact O-N 3.36Å; K279-M283 VanDerWaalsContact O-CB 3.3Å; K279-M283 WeakPolarHBondContact O-CB 3.39Å; K279-M283 PolarHBondContact O-N 3.22Å
280E95.9Very high96.2Very high109 Ų109112 Ų11251%0.50952%0.519SS..Hα-helixtrans-63.4-48.2176.3-174.7177.2-16800111.7L276 K277 E278 N282 M283 I284L276-E280 WeakPolarHBondContact O-CB 3.29Å; L276-E280 PolarHBondContact O-N 3.12Å; K277-E280 PolarHBondContact O-N 3.1Å; E278-E280 VanDerWaalsContact C-N 3.31Å; E278-E280 PolarHBondContact O-N 3.16Å; E280-N282 VanDerWaalsContact C-N 3.35Å; E280-N282 PolarHBondContact O-N 3.04Å; E280-M283 WeakPolarHBondContact O-CB 3.45Å; E280-M283 PolarHBondContact O-N 3.41Å; E280-I284 HydrophobicContact CG-CD1 3.97Å; E280-I284 VanDerWaalsContact O-CG1 3.31Å; E280-I284 WeakPolarHBondContact O-CG1 3.32Å; E280-I284 PolarHBondContact O-N 3.38Å
281R95.8Very high96.3Very high177 Ų177105.9 Ų105.967%0.66850%0.497SS*.Hα-helixtrans-57.4-46.2175-71.8171-177.3175.3-1.1112.2K277 E278 M283 I284 A285K277-R281 VanDerWaalsContact O-CG 3.3Å; K277-R281 WeakPolarHBondContact O-CG 3.36Å; K277-R281 PolarHBondContact O-N 2.72Å; E278-R281 PolarHBondContact O-N 3.45Å; R281-M283 VanDerWaalsContact C-N 3.34Å; R281-M283 PolarHBondContact O-N 3.32Å; R281-I284 PolarHBondContact O-N 3.18Å; R281-A285 WeakPolarHBondContact O-CB 3.39Å; R281-A285 PolarHBondContact O-N 2.96Å
282N96.6Very high96.3Very high97 Ų97106.5 Ų106.552%0.51949%0.494SS..Hα-helixtrans-64.2-39.3178.5-71.4-17.1000111.9E278 K279 E280 A286E278-N282 WeakPolarHBondContact O-CB 3.36Å; E278-N282 VanDerWaalsContact O-CG 3.27Å; E278-N282 PolarHBondContact O-N 3.47Å; E278-N282 PolarHBondContact O-ND2 3.44Å; K279-N282 PolarHBondContact O-N 3.36Å; E280-N282 VanDerWaalsContact C-N 3.35Å; E280-N282 PolarHBondContact O-N 3.04Å; N282-A286 WeakPolarHBondContact O-CB 3.06Å; N282-A286 PolarHBondContact O-N 3.18Å
283M94.8Very high96.4Very high120 Ų120104.6 Ų104.659%0.59149%0.49SS*.Hα-helixtrans-64.3-44.2176.1176.6172.54400111.8K279 E280 R281 A286 H287K279-M283 VanDerWaalsContact O-CB 3.3Å; K279-M283 WeakPolarHBondContact O-CB 3.39Å; K279-M283 PolarHBondContact O-N 3.22Å; E280-M283 WeakPolarHBondContact O-CB 3.45Å; E280-M283 PolarHBondContact O-N 3.41Å; R281-M283 VanDerWaalsContact C-N 3.34Å; R281-M283 PolarHBondContact O-N 3.32Å; M283-A286 PolarHBondContact O-N 3.01Å; M283-H287 WeakPolarHBondContact O-CB 3.4Å; M283-H287 PolarHBondContact O-N 3.25Å
284I96.5Very high96.4Very high80 Ų80105.3 Ų105.341%0.4150%0.497SS..Hα-helixtrans-63.4-50.1176.6-68.6168.6000110.3E280 R281 A286 H287 Y288E280-I284 HydrophobicContact CG-CD1 3.97Å; E280-I284 VanDerWaalsContact O-CG1 3.31Å; E280-I284 WeakPolarHBondContact O-CG1 3.32Å; E280-I284 PolarHBondContact O-N 3.38Å; R281-I284 PolarHBondContact O-N 3.18Å; I284-A286 VanDerWaalsContact C-N 3.34Å; I284-A286 PolarHBondContact O-N 3.42Å; I284-H287 WeakPolarHBondContact O-CB 3.42Å; I284-H287 PolarHBondContact O-N 3.03Å; I284-H287 VanDerWaalsContact O-N 3.12Å; I284-Y288 HydrophobicContact CG2-CD2 3.61Å; I284-Y288 HydrophobicContact CG2-CE2 3.4Å; I284-Y288 WeakPolarHBondContact O-CD2 3.29Å; I284-Y288 PolarHBondContact O-N 2.93Å
285A96.3Very high96.4Very high54 Ų54106.1 Ų106.145%0.44650%0.495SS..Hα-helixtrans-58.7-44.3177.400000111.8R281 H287 Y288 E289R281-A285 WeakPolarHBondContact O-CB 3.39Å; R281-A285 PolarHBondContact O-N 2.96Å; A285-H287 VanDerWaalsContact C-N 3.33Å; A285-H287 PolarHBondContact O-N 3.4Å; A285-Y288 PolarHBondContact O-N 3.46Å; A285-E289 PolarHBondContact O-N 3.37Å
286A97Very high96.4Very high36 Ų36106.1 Ų106.130%0.29849%0.493SS..Hα-helixtrans-64.1-36.2176.400000112.4N282 M283 I284 R290N282-A286 WeakPolarHBondContact O-CB 3.06Å; N282-A286 PolarHBondContact O-N 3.18Å; M283-A286 PolarHBondContact O-N 3.01Å; I284-A286 VanDerWaalsContact C-N 3.34Å; I284-A286 PolarHBondContact O-N 3.42Å; A286-R290 WeakPolarHBondContact O-CB 3.48Å; A286-R290 WeakPolarHBondContact O-CG 3.48Å; A286-R290 PolarHBondContact O-N 3.29Å
287H97.1Very high96.4Very high112 Ų112106.1 Ų106.152%0.51950%0.496SS..Hα-helixtrans-65-45.9173.5178.5-92.3000111.6M283 I284 A285 E289 R290 A291M283-H287 WeakPolarHBondContact O-CB 3.4Å; M283-H287 PolarHBondContact O-N 3.25Å; I284-H287 WeakPolarHBondContact O-CB 3.42Å; I284-H287 PolarHBondContact O-N 3.03Å; I284-H287 VanDerWaalsContact O-N 3.12Å; A285-H287 VanDerWaalsContact C-N 3.33Å; A285-H287 PolarHBondContact O-N 3.4Å; H287-E289 PolarHBondContact O-N 2.93Å; H287-R290 PolarHBondContact O-N 3.09Å; H287-A291 WeakPolarHBondContact O-CB 2.98Å; H287-A291 PolarHBondContact O-N 3.14Å
288Y96.9Very high96.4Very high150 Ų150104.5 Ų104.559%0.58849%0.493SS*.Hα-helixtrans-61-42.9176.1-81.2-68000112.6I284 A285 A291 R292I284-Y288 HydrophobicContact CG2-CD2 3.61Å; I284-Y288 HydrophobicContact CG2-CE2 3.4Å; I284-Y288 WeakPolarHBondContact O-CD2 3.29Å; I284-Y288 PolarHBondContact O-N 2.93Å; A285-Y288 PolarHBondContact O-N 3.46Å; Y288-A291 PolarHBondContact O-N 2.96Å; Y288-R292 WeakPolarHBondContact O-CB 3.48Å; Y288-R292 PolarHBondContact O-N 2.97Å
289E95.4Very high96.4Very high90 Ų90103.7 Ų103.742%0.42149%0.489SS..Hα-helixtrans-64.3-43176.4-80.7-60.1136.100112.2A285 H287 R292 K293A285-E289 PolarHBondContact O-N 3.37Å; H287-E289 PolarHBondContact O-N 2.93Å; E289-R292 PolarHBondContact O-N 2.89Å; E289-R292 IonicContact OE1-NH1 3.7Å; E289-K293 WeakPolarHBondContact O-CG 3.44Å; E289-K293 PolarHBondContact O-N 3.28Å
290R95.5Very high96.4Very high142 Ų142105.2 Ų105.254%0.53649%0.492SS..Hα-helixtrans-60.8-46.9173-75.1-171.9-61.6-93.21.1111.6A286 H287 R292 K293 V294A286-R290 WeakPolarHBondContact O-CB 3.48Å; A286-R290 WeakPolarHBondContact O-CG 3.48Å; A286-R290 PolarHBondContact O-N 3.29Å; H287-R290 PolarHBondContact O-N 3.09Å; R290-R292 VanDerWaalsContact C-N 3.31Å; R290-R292 PolarHBondContact O-N 3.39Å; R290-K293 PolarHBondContact O-N 2.87Å; R290-V294 WeakPolarHBondContact O-CG2 3.22Å; R290-V294 PolarHBondContact O-N 3.48Å
291A96.7Very high96.4Very high26 Ų26105.9 Ų105.922%0.21549%0.493CS..Hα-helixtrans-62.1-38.5178.900000112.1H287 Y288 V294 R295H287-A291 WeakPolarHBondContact O-CB 2.98Å; H287-A291 PolarHBondContact O-N 3.14Å; Y288-A291 PolarHBondContact O-N 2.96Å; A291-V294 PolarHBondContact O-N 3.18Å; A291-R295 WeakPolarHBondContact O-CG 3.49Å; A291-R295 PolarHBondContact O-N 3.37Å
292R97.1Very high96.5Very high130 Ų130102 Ų10249%0.49148%0.481SS..Hα-helixtrans-61.3-47.9174.1-176.7-176.2-178.6-179.42.5111.6Y288 E289 R290 V294 R295 Q296Y288-R292 WeakPolarHBondContact O-CB 3.48Å; Y288-R292 PolarHBondContact O-N 2.97Å; E289-R292 PolarHBondContact O-N 2.89Å; E289-R292 IonicContact OE1-NH1 3.7Å; R290-R292 VanDerWaalsContact C-N 3.31Å; R290-R292 PolarHBondContact O-N 3.39Å; R292-V294 PolarHBondContact O-N 3.47Å; R292-R295 PolarHBondContact O-N 2.99Å; R292-Q296 WeakPolarHBondContact O-CG 3.42Å; R292-Q296 PolarHBondContact O-N 3.15Å
293K96.8Very high96.5Very high129 Ų129102.6 Ų102.656%0.56148%0.48SS*.Hα-helixtrans-61.7-42.7177.3-69.3179.4-175.9-176.70111.7E289 R290 R295 Q296 V297E289-K293 WeakPolarHBondContact O-CG 3.44Å; E289-K293 PolarHBondContact O-N 3.28Å; R290-K293 PolarHBondContact O-N 2.87Å; K293-R295 PolarHBondContact O-N 3.32Å; K293-Q296 PolarHBondContact O-N 3Å; K293-V297 WeakPolarHBondContact O-CG2 3.48Å; K293-V297 PolarHBondContact O-N 3.4Å
294V97.1Very high96.6Very high86 Ų86101.3 Ų101.352%0.52148%0.475SS..Hα-helixtrans-60.3-45.1175.8171.80000111.2R290 A291 R292 Q296 V297 L298R290-V294 WeakPolarHBondContact O-CG2 3.22Å; R290-V294 PolarHBondContact O-N 3.48Å; A291-V294 PolarHBondContact O-N 3.18Å; R292-V294 PolarHBondContact O-N 3.47Å; V294-Q296 PolarHBondContact O-N 3.28Å; V294-V297 PolarHBondContact O-N 3.35Å; V294-L298 HydrophobicContact CG1-CD1 4.01Å; V294-L298 HydrophobicContact CG1-CG 4.37Å; V294-L298 WeakPolarHBondContact O-CG 3.36Å; V294-L298 PolarHBondContact O-N 2.86Å
295R96.4Very high96.5Very high152 Ų152103.5 Ų103.557%0.57448%0.478SS*.Hα-helixtrans-59.5-44.2175.5-75-170.2-65.5-94.13.1112.4A291 R292 K293 V297 L298 E299A291-R295 WeakPolarHBondContact O-CG 3.49Å; A291-R295 PolarHBondContact O-N 3.37Å; R292-R295 PolarHBondContact O-N 2.99Å; K293-R295 PolarHBondContact O-N 3.32Å; R295-V297 PolarHBondContact O-N 3.03Å; R295-L298 PolarHBondContact O-N 3.3Å; R295-E299 PolarHBondContact O-N 3.08Å
296Q96.8Very high96.6Very high84 Ų84106.5 Ų106.539%0.39348%0.482SS..Hα-helixtrans-62-42.3177-71.6176.1-6.600112.3R292 K293 V294 E299 R300R292-Q296 WeakPolarHBondContact O-CG 3.42Å; R292-Q296 PolarHBondContact O-N 3.15Å; K293-Q296 PolarHBondContact O-N 3Å; V294-Q296 PolarHBondContact O-N 3.28Å; Q296-E299 PolarHBondContact O-N 2.85Å; Q296-R300 WeakPolarHBondContact O-CG 3.29Å; Q296-R300 PolarHBondContact O-N 2.9Å
297V96.8Very high96.5Very high87 Ų87108.5 Ų108.553%0.52749%0.486SS..Hα-helixtrans-64.2-42.7176.1171.90000111.1K293 V294 R295 E299 R300 K301K293-V297 WeakPolarHBondContact O-CG2 3.48Å; K293-V297 PolarHBondContact O-N 3.4Å; V294-V297 PolarHBondContact O-N 3.35Å; R295-V297 PolarHBondContact O-N 3.03Å; V297-E299 PolarHBondContact O-N 2.97Å; V297-R300 PolarHBondContact O-N 3.46Å; V297-K301 VanDerWaalsContact O-CB 3.3Å; V297-K301 WeakPolarHBondContact O-CB 3.27Å; V297-K301 PolarHBondContact O-N 2.84Å
298L96.8Very high96.5Very high95 Ų95106.8 Ų106.850%0.49748%0.479SS..Hα-helixtrans-63.1-41.3177.6-73.2174.5000112.2V294 R295 K301 K302V294-L298 HydrophobicContact CG1-CD1 4.01Å; V294-L298 HydrophobicContact CG1-CG 4.37Å; V294-L298 WeakPolarHBondContact O-CG 3.36Å; V294-L298 PolarHBondContact O-N 2.86Å; R295-L298 PolarHBondContact O-N 3.3Å; L298-K301 PolarHBondContact O-N 3.19Å; L298-K302 WeakPolarHBondContact O-CB 3.44Å; L298-K302 PolarHBondContact O-N 3.47Å
299E95.9Very high96.4Very high90 Ų90105 Ų10542%0.42148%0.476SS..Hα-helixtrans-67.3-44177.8-166.455.8-13900111.4R295 Q296 V297 K301 K302 Q303R295-E299 PolarHBondContact O-N 3.08Å; Q296-E299 PolarHBondContact O-N 2.85Å; V297-E299 PolarHBondContact O-N 2.97Å; E299-K301 VanDerWaalsContact C-N 3.32Å; E299-K301 PolarHBondContact O-N 2.86Å; E299-K302 WeakPolarHBondContact O-CB 3.23Å; E299-K302 PolarHBondContact O-N 3.21Å; E299-K302 VanDerWaalsContact O-N 3.09Å; E299-Q303 WeakPolarHBondContact O-CG 3.28Å; E299-Q303 PolarHBondContact O-N 3.2Å
300R96.4Very high96.5Very high164 Ų164106.1 Ų106.162%0.61948%0.482SS*.Hα-helixtrans-58.5-43.5172.1-73.2177.9-177.21531111.9Q296 V297 K302 Q303 L304Q296-R300 WeakPolarHBondContact O-CG 3.29Å; Q296-R300 PolarHBondContact O-N 2.9Å; V297-R300 PolarHBondContact O-N 3.46Å; R300-K302 VanDerWaalsContact C-N 3.28Å; R300-K302 PolarHBondContact O-N 2.89Å; R300-Q303 PolarHBondContact O-N 2.87Å; R300-L304 WeakPolarHBondContact O-CB 3.5Å; R300-L304 PolarHBondContact O-N 3.44Å
301K96Very high96.5Very high123 Ų123103 Ų10354%0.53547%0.47SS..Hα-helixtrans-62.2-36.4176.4-160.9-166.2172.4-179.80111.3V297 L298 E299 R305V297-K301 VanDerWaalsContact O-CB 3.3Å; V297-K301 WeakPolarHBondContact O-CB 3.27Å; V297-K301 PolarHBondContact O-N 2.84Å; L298-K301 PolarHBondContact O-N 3.19Å; E299-K301 VanDerWaalsContact C-N 3.32Å; E299-K301 PolarHBondContact O-N 2.86Å; K301-R305 WeakPolarHBondContact O-CG 3.36Å; K301-R305 PolarHBondContact O-N 3.21Å; K301-R305 VanDerWaalsContact O-N 3.09Å
302K96.9Very high96.4Very high96 Ų96108 Ų10842%0.41748%0.484SS..Hα-helixtrans-68.7-44.6176-174.4-177.2178.3-174.30111.4L298 E299 R300 R305 K306L298-K302 WeakPolarHBondContact O-CB 3.44Å; L298-K302 PolarHBondContact O-N 3.47Å; E299-K302 WeakPolarHBondContact O-CB 3.23Å; E299-K302 PolarHBondContact O-N 3.21Å; E299-K302 VanDerWaalsContact O-N 3.09Å; R300-K302 VanDerWaalsContact C-N 3.28Å; R300-K302 PolarHBondContact O-N 2.89Å; K302-R305 PolarHBondContact O-N 3.19Å; K302-K306 WeakPolarHBondContact O-CG 3.33Å; K302-K306 PolarHBondContact O-N 3.08Å
303Q97.2Very high96.4Very high108 Ų108108.1 Ų108.151%0.50549%0.488SS..Hα-helixtrans-60.3-46.8174.9-70.5173.5-10.100111.5E299 R300 R305 K306 M307E299-Q303 WeakPolarHBondContact O-CG 3.28Å; E299-Q303 PolarHBondContact O-N 3.2Å; R300-Q303 PolarHBondContact O-N 2.87Å; Q303-R305 VanDerWaalsContact C-N 3.34Å; Q303-R305 PolarHBondContact O-N 3.3Å; Q303-K306 WeakPolarHBondContact O-CB 3.33Å; Q303-K306 PolarHBondContact O-N 3.16Å; Q303-K306 VanDerWaalsContact O-N 3.13Å; Q303-M307 WeakPolarHBondContact O-CG 3.48Å; Q303-M307 PolarHBondContact O-N 2.91Å
304L96.2Very high96.4Very high94 Ų94106.8 Ų106.849%0.49248%0.483SS..Hα-helixtrans-61.6-41.3177.7-173.862.7000112.3R300 K306 M307 I308R300-L304 WeakPolarHBondContact O-CB 3.5Å; R300-L304 PolarHBondContact O-N 3.44Å; L304-K306 VanDerWaalsContact C-N 3.34Å; L304-K306 PolarHBondContact O-N 3.04Å; L304-M307 HydrophobicContact CD1-CE 3.67Å; L304-M307 PolarHBondContact O-N 3.46Å; L304-I308 HydrophobicContact CD1-CD1 4.41Å; L304-I308 HydrophobicContact CG-CD1 4.03Å; L304-I308 VanDerWaalsContact O-CG1 3.3Å; L304-I308 WeakPolarHBondContact O-CG1 3.44Å; L304-I308 PolarHBondContact O-N 3.29Å
305R96.2Very high96.2Very high125 Ų125107 Ų10747%0.47248%0.481SS..Hα-helixtrans-59.5-43.3173.4-79.6-167.9-63.1-86.71.2112.2K301 K302 Q303 I308 E309K301-R305 WeakPolarHBondContact O-CG 3.36Å; K301-R305 PolarHBondContact O-N 3.21Å; K301-R305 VanDerWaalsContact O-N 3.09Å; K302-R305 PolarHBondContact O-N 3.19Å; Q303-R305 VanDerWaalsContact C-N 3.34Å; Q303-R305 PolarHBondContact O-N 3.3Å; R305-I308 PolarHBondContact O-N 2.84Å; R305-E309 WeakPolarHBondContact O-CB 3.1Å; R305-E309 PolarHBondContact O-N 2.98Å
306K97.3Very high96.2Very high118 Ų118107.4 Ų107.451%0.51348%0.484SS..Hα-helixtrans-60.9-48.3176.8-73.2-178.6173.1-1690111.6K302 Q303 L304 I308 E309 E310K302-K306 WeakPolarHBondContact O-CG 3.33Å; K302-K306 PolarHBondContact O-N 3.08Å; Q303-K306 WeakPolarHBondContact O-CB 3.33Å; Q303-K306 PolarHBondContact O-N 3.16Å; Q303-K306 VanDerWaalsContact O-N 3.13Å; L304-K306 VanDerWaalsContact C-N 3.34Å; L304-K306 PolarHBondContact O-N 3.04Å; K306-I308 VanDerWaalsContact C-N 3.33Å; K306-I308 PolarHBondContact O-N 3.48Å; K306-E309 PolarHBondContact O-N 2.72Å; K306-E309 VanDerWaalsContact O-N 3.12Å; K306-E310 WeakPolarHBondContact O-CG 3.34Å; K306-E310 PolarHBondContact O-N 3.36Å
307M96Very high96.1Very high78 Ų78107.4 Ų107.438%0.38448%0.484SS..Hα-helixtrans-61.6-39.5178.7-65.2-169.1-48.700112.6L150 Q303 L304 E309 Y311L150-M307 HydrophobicContact CD2-CE 4.45Å; L150-M307 HydrophobicContact CD2-SD 4.29Å; Q303-M307 WeakPolarHBondContact O-CG 3.48Å; Q303-M307 PolarHBondContact O-N 2.91Å; L304-M307 HydrophobicContact CD1-CE 3.67Å; L304-M307 PolarHBondContact O-N 3.46Å; M307-E309 VanDerWaalsContact C-N 3.32Å; M307-Y311 WeakPolarHBondContact O-CB 3.44Å; M307-Y311 PolarHBondContact O-N 3.33Å
308I95.9Very high96.1Very high75 Ų75106 Ų10639%0.38548%0.481SS..Hα-helixtrans-64.6-39.9176.1-69.8167.4000110.7L304 R305 K306 Y311 R312L304-I308 HydrophobicContact CD1-CD1 4.41Å; L304-I308 HydrophobicContact CG-CD1 4.03Å; L304-I308 VanDerWaalsContact O-CG1 3.3Å; L304-I308 WeakPolarHBondContact O-CG1 3.44Å; L304-I308 PolarHBondContact O-N 3.29Å; R305-I308 PolarHBondContact O-N 2.84Å; K306-I308 VanDerWaalsContact C-N 3.33Å; K306-I308 PolarHBondContact O-N 3.48Å; I308-Y311 PolarHBondContact O-N 2.91Å; I308-R312 VanDerWaalsContact O-CG 3.29Å; I308-R312 WeakPolarHBondContact O-CG 3.22Å; I308-R312 PolarHBondContact O-N 3.26Å
309E95.9Very high96Very high112 Ų112109.4 Ų109.452%0.52349%0.487SS..Hα-helixtrans-69.3-41.1179.4-163.458.7-152.800112R305 K306 M307 R312 K313R305-E309 WeakPolarHBondContact O-CB 3.1Å; R305-E309 PolarHBondContact O-N 2.98Å; K306-E309 PolarHBondContact O-N 2.72Å; K306-E309 VanDerWaalsContact O-N 3.12Å; M307-E309 VanDerWaalsContact C-N 3.32Å; E309-R312 PolarHBondContact O-N 3.44Å; E309-R312 IonicContact OE2-NH1 2.66Å; E309-K313 WeakPolarHBondContact O-CB 3.05Å; E309-K313 PolarHBondContact O-N 2.97Å
310E96.7Very high96Very high114 Ų114110.4 Ų110.453%0.53349%0.492SS..Hα-helixtrans-59-46.7172-72.6162.4-171.100111.1K306 R312 K313 E314K306-E310 WeakPolarHBondContact O-CG 3.34Å; K306-E310 PolarHBondContact O-N 3.36Å; E310-R312 PolarHBondContact O-N 3.22Å; E310-K313 WeakPolarHBondContact O-CB 3.38Å; E310-K313 PolarHBondContact O-N 3.12Å; E310-E314 WeakPolarHBondContact O-CG 3.5Å; E310-E314 PolarHBondContact O-N 2.96Å
311Y95.4Very high96Very high77 Ų77106.8 Ų106.830%0.30248%0.482SS..Hα-helixtrans-61.8-41.1176.5-179-112.2000112.8L143 Y147 M307 I308 K313 E314 L315L143-Y311 HydrophobicContact CD2-CE2 4.15Å; Y147-Y311 WeakPolarHBondContact OH-CD2 3.36Å; Y147-Y311 VanDerWaalsContact OH-CE2 3.22Å; Y147-Y311 WeakPolarHBondContact OH-CE2 3.31Å; M307-Y311 WeakPolarHBondContact O-CB 3.44Å; M307-Y311 PolarHBondContact O-N 3.33Å; I308-Y311 PolarHBondContact O-N 2.91Å; Y311-K313 VanDerWaalsContact C-N 3.34Å; Y311-E314 PolarHBondContact O-N 3.03Å; Y311-L315 HydrophobicContact CD1-CD1 3.99Å; Y311-L315 HydrophobicContact CE1-CD1 3.49Å; Y311-L315 VanDerWaalsContact CE1-CD1 3.49Å; Y311-L315 HydrophobicContact CE1-CG 4.15Å; Y311-L315 HydrophobicContact CE2-CD2 4.5Å; Y311-L315 HydrophobicContact CE2-CG 4.38Å; Y311-L315 WeakPolarHBondContact O-CG 3.49Å; Y311-L315 PolarHBondContact O-N 3.25Å
312R95.2Very high95.9Very high132 Ų132104.5 Ų104.550%0.49848%0.481SS..Hα-helixtrans-61.1-44.5174.5-76169.9174-172.8-4.5111.1I308 E309 E310 L315 Y316I308-R312 VanDerWaalsContact O-CG 3.29Å; I308-R312 WeakPolarHBondContact O-CG 3.22Å; I308-R312 PolarHBondContact O-N 3.26Å; E309-R312 PolarHBondContact O-N 3.44Å; E309-R312 IonicContact OE2-NH1 2.66Å; E310-R312 PolarHBondContact O-N 3.22Å; R312-L315 PolarHBondContact O-N 3.3Å; R312-Y316 WeakPolarHBondContact O-CD2 3.46Å; R312-Y316 PolarHBondContact O-N 2.92Å
313K96.6Very high95.8Very high132 Ų132103.9 Ų103.957%0.57448%0.482SS*.Hα-helixtrans-60-46.7177.3-174.7177.5171.6-1770111.4E309 E310 Y311 L315 Y316 E317E309-K313 WeakPolarHBondContact O-CB 3.05Å; E309-K313 PolarHBondContact O-N 2.97Å; E310-K313 WeakPolarHBondContact O-CB 3.38Å; E310-K313 PolarHBondContact O-N 3.12Å; Y311-K313 VanDerWaalsContact C-N 3.34Å; K313-L315 VanDerWaalsContact C-N 3.31Å; K313-L315 PolarHBondContact O-N 3.25Å; K313-Y316 PolarHBondContact O-N 3.47Å; K313-Y316 VanDerWaalsContact O-N 3.16Å; K313-E317 WeakPolarHBondContact CE-OE1 3.41Å; K313-E317 IonicContact NZ-OE1 2.69Å; K313-E317 WeakPolarHBondContact O-CG 3.21Å; K313-E317 PolarHBondContact O-N 2.81Å
314E96.1Very high95.8Very high100 Ų100103 Ų10347%0.46748%0.478SS..Hα-helixtrans-58.8-40.6175.4-72-179.9-16900112.5E310 Y311 E317 A318E310-E314 WeakPolarHBondContact O-CG 3.5Å; E310-E314 PolarHBondContact O-N 2.96Å; Y311-E314 PolarHBondContact O-N 3.03Å; E314-E317 PolarHBondContact O-N 3.2Å; E314-A318 VanDerWaalsContact O-CB 3.31Å; E314-A318 WeakPolarHBondContact O-CB 3.47Å; E314-A318 PolarHBondContact O-N 3.45Å
315L94.3Very high95.9Very high90 Ų90104.8 Ų104.847%0.47148%0.478SS..Hα-helixtrans-65-40.3176.1-73178.2000112.4Y311 R312 K313 R319Y311-L315 HydrophobicContact CD1-CD1 3.99Å; Y311-L315 HydrophobicContact CE1-CD1 3.49Å; Y311-L315 VanDerWaalsContact CE1-CD1 3.49Å; Y311-L315 HydrophobicContact CE1-CG 4.15Å; Y311-L315 HydrophobicContact CE2-CD2 4.5Å; Y311-L315 HydrophobicContact CE2-CG 4.38Å; Y311-L315 WeakPolarHBondContact O-CG 3.49Å; Y311-L315 PolarHBondContact O-N 3.25Å; R312-L315 PolarHBondContact O-N 3.3Å; K313-L315 VanDerWaalsContact C-N 3.31Å; K313-L315 PolarHBondContact O-N 3.25Å; L315-R319 WeakPolarHBondContact O-CB 3.36Å; L315-R319 PolarHBondContact O-N 3.06Å
316Y95Very high95.9Very high162 Ų162101.3 Ų101.364%0.63548%0.476SS*.Hα-helixtrans-64.6-46.7175.1-77.6-64.9000111.4R312 K313 A318 R319 E320R312-Y316 WeakPolarHBondContact O-CD2 3.46Å; R312-Y316 PolarHBondContact O-N 2.92Å; K313-Y316 PolarHBondContact O-N 3.47Å; K313-Y316 VanDerWaalsContact O-N 3.16Å; Y316-A318 PolarHBondContact O-N 2.85Å; Y316-R319 WeakPolarHBondContact O-CB 3.5Å; Y316-R319 PolarHBondContact O-N 3.46Å; Y316-E320 WeakPolarHBondContact O-CB 3.37Å; Y316-E320 PolarHBondContact O-N 2.88Å
317E96.1Very high95.8Very high84 Ų84101.6 Ų101.639%0.39348%0.481SS..Hα-helixtrans-62-43.7178.2-71.8175.1-177.300111.7K313 E314 R319 E320 Q321K313-E317 WeakPolarHBondContact CE-OE1 3.41Å; K313-E317 IonicContact NZ-OE1 2.69Å; K313-E317 WeakPolarHBondContact O-CG 3.21Å; K313-E317 PolarHBondContact O-N 2.81Å; E314-E317 PolarHBondContact O-N 3.2Å; E317-R319 VanDerWaalsContact C-N 3.34Å; E317-R319 PolarHBondContact O-N 3.33Å; E317-E320 PolarHBondContact O-N 3.11Å; E317-Q321 WeakPolarHBondContact O-CB 3.46Å; E317-Q321 VanDerWaalsContact O-CG 3.28Å; E317-Q321 WeakPolarHBondContact O-CG 3.28Å; E317-Q321 PolarHBondContact O-N 2.86Å
318A96.3Very high95.8Very high56 Ų56103.5 Ų103.546%0.46349%0.488SS..Hα-helixtrans-63.4-39.9176.700000112.1E314 Y316 S322E314-A318 VanDerWaalsContact O-CB 3.31Å; E314-A318 WeakPolarHBondContact O-CB 3.47Å; E314-A318 PolarHBondContact O-N 3.45Å; Y316-A318 PolarHBondContact O-N 2.85Å; A318-S322 PolarHBondContact O-N 3.1Å
319R94.6Very high95.8Very high167 Ų167108.3 Ų108.363%0.6350%0.502SS*.Hα-helixtrans-64.2-46.2174.5-178.6-177.3-179-170.70.1110.9L315 Y316 E317 S322 I323L315-R319 WeakPolarHBondContact O-CB 3.36Å; L315-R319 PolarHBondContact O-N 3.06Å; Y316-R319 WeakPolarHBondContact O-CB 3.5Å; Y316-R319 PolarHBondContact O-N 3.46Å; E317-R319 VanDerWaalsContact C-N 3.34Å; E317-R319 PolarHBondContact O-N 3.33Å; R319-S322 WeakPolarHBondContact O-CB 3.47Å; R319-S322 PolarHBondContact O-N 2.95Å; R319-I323 HydrophobicContact CG-CD1 4Å; R319-I323 WeakPolarHBondContact O-CG1 3.28Å; R319-I323 PolarHBondContact O-N 2.83Å
320E95.7Very high95.9Very high111 Ų111107.6 Ų107.652%0.51951%0.505SS..Hα-helixtrans-61.3-46.9179.6-171.3176-17400111.2Y316 E317 S322 I323 Q324Y316-E320 WeakPolarHBondContact O-CB 3.37Å; Y316-E320 PolarHBondContact O-N 2.88Å; E317-E320 PolarHBondContact O-N 3.11Å; E320-S322 VanDerWaalsContact C-N 3.28Å; E320-S322 PolarHBondContact O-N 3.19Å; E320-I323 PolarHBondContact O-N 3.11Å; E320-I323 VanDerWaalsContact O-N 3.12Å; E320-Q324 HydrophobicContact CG-CG 4.48Å; E320-Q324 WeakPolarHBondContact O-CB 3.47Å; E320-Q324 WeakPolarHBondContact O-CG 3.44Å; E320-Q324 PolarHBondContact O-N 3.07Å
321Q96.2Very high95.8Very high89 Ų89106 Ų10642%0.41651%0.506SS..Hα-helixtrans-58.9-39.4174.1-72.517615.400112.4E317 I323 Q324 R325E317-Q321 WeakPolarHBondContact O-CB 3.46Å; E317-Q321 VanDerWaalsContact O-CG 3.28Å; E317-Q321 WeakPolarHBondContact O-CG 3.28Å; E317-Q321 PolarHBondContact O-N 2.86Å; Q321-I323 VanDerWaalsContact C-N 3.35Å; Q321-Q324 PolarHBondContact O-N 3.49Å; Q321-R325 WeakPolarHBondContact O-CB 3.34Å; Q321-R325 VanDerWaalsContact O-CG 3.28Å; Q321-R325 WeakPolarHBondContact O-CG 3.49Å; Q321-R325 PolarHBondContact O-N 3.24Å
322S93.6Very high95.9Very high74 Ų74105.7 Ų105.752%0.51752%0.515SS..Hα-helixtrans-66.3-38.8177-171.30000112.1A318 R319 E320 A326A318-S322 PolarHBondContact O-N 3.1Å; R319-S322 WeakPolarHBondContact O-CB 3.47Å; R319-S322 PolarHBondContact O-N 2.95Å; E320-S322 VanDerWaalsContact C-N 3.28Å; E320-S322 PolarHBondContact O-N 3.19Å; S322-A326 WeakPolarHBondContact O-CB 3.44Å; S322-A326 PolarHBondContact O-N 3.46Å; S322-A326 VanDerWaalsContact O-N 3.11Å
323I96.1Very high96Very high84 Ų84107.9 Ų107.943%0.43152%0.523SS..Hα-helixtrans-66.8-46.4175.3-68.3167.6000110.1R319 E320 Q321 R325 A326 M327R319-I323 HydrophobicContact CG-CD1 4Å; R319-I323 WeakPolarHBondContact O-CG1 3.28Å; R319-I323 PolarHBondContact O-N 2.83Å; E320-I323 PolarHBondContact O-N 3.11Å; E320-I323 VanDerWaalsContact O-N 3.12Å; Q321-I323 VanDerWaalsContact C-N 3.35Å; I323-R325 PolarHBondContact O-N 3.36Å; I323-A326 WeakPolarHBondContact O-CB 3.23Å; I323-A326 PolarHBondContact O-N 3.09Å; I323-A326 VanDerWaalsContact O-N 3.1Å; I323-M327 HydrophobicContact CG2-CG 4.32Å; I323-M327 HydrophobicContact CG2-SD 3.95Å; I323-M327 WeakPolarHBondContact O-CG 3.43Å; I323-M327 PolarHBondContact O-N 3.29Å
324Q97Very high95.9Very high89 Ų89106.1 Ų106.142%0.41652%0.519SS..Hα-helixtrans-57-49.6177.1-73.6173.6-3.200111.3E320 Q321 A326 M327 E328E320-Q324 HydrophobicContact CG-CG 4.48Å; E320-Q324 WeakPolarHBondContact O-CB 3.47Å; E320-Q324 WeakPolarHBondContact O-CG 3.44Å; E320-Q324 PolarHBondContact O-N 3.07Å; Q321-Q324 PolarHBondContact O-N 3.49Å; Q324-A326 VanDerWaalsContact C-N 3.28Å; Q324-A326 PolarHBondContact O-N 3.46Å; Q324-M327 WeakPolarHBondContact O-CB 3.34Å; Q324-M327 PolarHBondContact O-N 3.13Å; Q324-M327 VanDerWaalsContact O-N 3.11Å; Q324-E328 WeakPolarHBondContact O-CG 3.41Å; Q324-E328 PolarHBondContact O-N 3.3Å
325R96.8Very high95.9Very high132 Ų132103.6 Ų103.650%0.49851%0.512SS..Hα-helixtrans-60.4-35.9175.7-70.1175.1-162.4147.210.1112.7Q321 I323 R329Q321-R325 WeakPolarHBondContact O-CB 3.34Å; Q321-R325 VanDerWaalsContact O-CG 3.28Å; Q321-R325 WeakPolarHBondContact O-CG 3.49Å; Q321-R325 PolarHBondContact O-N 3.24Å; I323-R325 PolarHBondContact O-N 3.36Å; R325-R329 VanDerWaalsContact O-CG 3.23Å; R325-R329 WeakPolarHBondContact O-CG 3.46Å; R325-R329 PolarHBondContact O-N 3.29Å; R325-R329 VanDerWaalsContact O-N 3.07Å
326A96.3Very high96Very high51 Ų51105 Ų10542%0.42152%0.516SS..Hα-helixtrans-68.2-42.6175.400000111.5S322 I323 Q324 R329 V330S322-A326 WeakPolarHBondContact O-CB 3.44Å; S322-A326 PolarHBondContact O-N 3.46Å; S322-A326 VanDerWaalsContact O-N 3.11Å; I323-A326 WeakPolarHBondContact O-CB 3.23Å; I323-A326 PolarHBondContact O-N 3.09Å; I323-A326 VanDerWaalsContact O-N 3.1Å; Q324-A326 VanDerWaalsContact C-N 3.28Å; Q324-A326 PolarHBondContact O-N 3.46Å; A326-R329 PolarHBondContact O-N 2.96Å; A326-V330 WeakPolarHBondContact O-CG2 3.37Å; A326-V330 PolarHBondContact O-N 3.29Å; A326-V330 VanDerWaalsContact O-N 3.09Å
327M96.5Very high96.1Very high125 Ų125102.7 Ų102.762%0.61651%0.512SS*.Hα-helixtrans-62.6-44.7175.1-70.6177.165.300111.8I323 Q324 R329 V330 S331I323-M327 HydrophobicContact CG2-CG 4.32Å; I323-M327 HydrophobicContact CG2-SD 3.95Å; I323-M327 WeakPolarHBondContact O-CG 3.43Å; I323-M327 PolarHBondContact O-N 3.29Å; Q324-M327 WeakPolarHBondContact O-CB 3.34Å; Q324-M327 PolarHBondContact O-N 3.13Å; Q324-M327 VanDerWaalsContact O-N 3.11Å; M327-R329 VanDerWaalsContact C-N 3.35Å; M327-R329 PolarHBondContact O-N 3.45Å; M327-V330 PolarHBondContact O-N 3.38Å; M327-S331 WeakPolarHBondContact O-CB 3.28Å; M327-S331 PolarHBondContact O-N 2.91Å
328E95.8Very high96.1Very high117 Ų117104.4 Ų104.455%0.54752%0.52SS..Hα-helixtrans-58.6-45.1175.1-73.7169.7178.700111.4Q324 V330 S331 C332Q324-E328 WeakPolarHBondContact O-CG 3.41Å; Q324-E328 PolarHBondContact O-N 3.3Å; E328-V330 VanDerWaalsContact C-N 3.31Å; E328-V330 PolarHBondContact O-N 3.29Å; E328-S331 PolarHBondContact O-N 3.36Å; E328-C332 WeakPolarHBondContact O-CB 3.31Å; E328-C332 PolarHBondContact O-N 2.83Å; E328-C332 PolarHBondContact O-SG 2.93Å
329R96.1Very high96.1Very high177 Ų177108.8 Ų108.867%0.66853%0.528SS*.Hα-helixtrans-60.4-40176-74.2172.7-171.5-163.72.3112.5R325 A326 M327 R333R325-R329 VanDerWaalsContact O-CG 3.23Å; R325-R329 WeakPolarHBondContact O-CG 3.46Å; R325-R329 PolarHBondContact O-N 3.29Å; R325-R329 VanDerWaalsContact O-N 3.07Å; A326-R329 PolarHBondContact O-N 2.96Å; M327-R329 VanDerWaalsContact C-N 3.35Å; M327-R329 PolarHBondContact O-N 3.45Å; R329-R333 VanDerWaalsContact O-CG 3.28Å; R329-R333 WeakPolarHBondContact O-CG 3.48Å; R329-R333 PolarHBondContact O-N 3.27Å; R329-R333 VanDerWaalsContact O-N 3.13Å
330V96.7Very high96.2Very high97 Ų97109.8 Ų109.859%0.58853%0.532SS*.Hα-helixtrans-67.8-44.7176.6172.80000110.6A326 M327 E328 R333 L334A326-V330 WeakPolarHBondContact O-CG2 3.37Å; A326-V330 PolarHBondContact O-N 3.29Å; A326-V330 VanDerWaalsContact O-N 3.09Å; M327-V330 PolarHBondContact O-N 3.38Å; E328-V330 VanDerWaalsContact C-N 3.31Å; E328-V330 PolarHBondContact O-N 3.29Å; V330-R333 PolarHBondContact O-N 2.88Å; V330-L334 PolarHBondContact O-N 3.43Å
331S96.3Very high96.2Very high79 Ų79108 Ų10855%0.55253%0.526SS*.Hα-helixtrans-60.8-46.1177.7-174.90000112.1M327 E328 R333 L334 S335M327-S331 WeakPolarHBondContact O-CB 3.28Å; M327-S331 PolarHBondContact O-N 2.91Å; E328-S331 PolarHBondContact O-N 3.36Å; S331-R333 PolarHBondContact O-N 3.4Å; S331-L334 PolarHBondContact O-N 3.29Å; S331-S335 PolarHBondContact O-N 2.92Å
332C96.8Very high96.3Very high72 Ų72106.6 Ų106.649%0.48653%0.529SS..Hα-helixtrans-59.1-46175.2-710000111.6E328 L334 S335 E336E328-C332 WeakPolarHBondContact O-CB 3.31Å; E328-C332 PolarHBondContact O-N 2.83Å; E328-C332 PolarHBondContact O-SG 2.93Å; C332-L334 PolarHBondContact O-N 2.98Å; C332-S335 PolarHBondContact O-N 3.41Å; C332-E336 WeakPolarHBondContact O-CB 3.36Å; C332-E336 VanDerWaalsContact O-CG 3.29Å; C332-E336 WeakPolarHBondContact O-CG 3.36Å; C332-E336 PolarHBondContact O-N 2.86Å
333R96.3Very high96.5Very high177 Ų177106 Ų10667%0.66853%0.525SS*.Hα-helixtrans-60.5-44.1177-75.4176.1-176.5-170.80.5112.4R329 V330 S331 E336 E337R329-R333 VanDerWaalsContact O-CG 3.28Å; R329-R333 WeakPolarHBondContact O-CG 3.48Å; R329-R333 PolarHBondContact O-N 3.27Å; R329-R333 VanDerWaalsContact O-N 3.13Å; V330-R333 PolarHBondContact O-N 2.88Å; S331-R333 PolarHBondContact O-N 3.4Å; R333-E336 PolarHBondContact O-N 3.39Å; R333-E337 WeakPolarHBondContact O-CB 3.29Å; R333-E337 PolarHBondContact O-N 2.89Å
334L95.9Very high96.5Very high95 Ų95106 Ų10650%0.49752%0.523SS..Hα-helixtrans-63.7-42.4178-177.763.9000111.3V330 S331 C332 E337 Q338V330-L334 PolarHBondContact O-N 3.43Å; S331-L334 PolarHBondContact O-N 3.29Å; C332-L334 PolarHBondContact O-N 2.98Å; L334-E337 PolarHBondContact O-N 2.88Å; L334-Q338 WeakPolarHBondContact O-CB 3.33Å; L334-Q338 VanDerWaalsContact O-CG 3.31Å; L334-Q338 WeakPolarHBondContact O-CG 3.01Å; L334-Q338 PolarHBondContact O-N 3.42Å
335S96.2Very high96.5Very high47 Ų47109.7 Ų109.733%0.32953%0.533SS..Hα-helixtrans-64.6-43.2176.6-169.60000112.1S331 C332 Q338 K339S331-S335 PolarHBondContact O-N 2.92Å; C332-S335 PolarHBondContact O-N 3.41Å; S335-Q338 PolarHBondContact O-N 2.92Å; S335-K339 WeakPolarHBondContact O-CG 3.35Å; S335-K339 PolarHBondContact O-N 2.91Å
336E95.9Very high96.5Very high119 Ų119112.4 Ų112.456%0.55654%0.543SS*.Hα-helixtrans-61.8-44174.9-74.7171.9-177.800111.5C332 R333 K339 R340C332-E336 WeakPolarHBondContact O-CB 3.36Å; C332-E336 VanDerWaalsContact O-CG 3.29Å; C332-E336 WeakPolarHBondContact O-CG 3.36Å; C332-E336 PolarHBondContact O-N 2.86Å; R333-E336 PolarHBondContact O-N 3.39Å; E336-K339 PolarHBondContact O-N 2.66Å; E336-R340 WeakPolarHBondContact O-CG 3.42Å; E336-R340 PolarHBondContact O-N 3.2Å
337E96.2Very high96.6Very high115 Ų115116 Ų11654%0.53755%0.552SS.*Hα-helixtrans-63.3-43.8176.8-171.4175.9-176.900111.7R333 L334 K339 R340 L341R333-E337 WeakPolarHBondContact O-CB 3.29Å; R333-E337 PolarHBondContact O-N 2.89Å; L334-E337 PolarHBondContact O-N 2.88Å; E337-K339 VanDerWaalsContact C-N 3.34Å; E337-K339 PolarHBondContact O-N 2.98Å; E337-R340 PolarHBondContact O-N 3.24Å; E337-L341 HydrophobicContact CG-CD1 4.27Å; E337-L341 WeakPolarHBondContact O-CG 3.47Å; E337-L341 PolarHBondContact O-N 3.1Å
338Q96.2Very high96.6Very high120 Ų120115.6 Ų115.656%0.56155%0.546SS*.Hα-helixtrans-59-43.9173.6-76.1178.2-4.500112.1L334 S335 L341 A342L334-Q338 WeakPolarHBondContact O-CB 3.33Å; L334-Q338 VanDerWaalsContact O-CG 3.31Å; L334-Q338 WeakPolarHBondContact O-CG 3.01Å; L334-Q338 PolarHBondContact O-N 3.42Å; S335-Q338 PolarHBondContact O-N 2.92Å; Q338-L341 PolarHBondContact O-N 2.96Å; Q338-A342 WeakPolarHBondContact O-CB 3.42Å; Q338-A342 PolarHBondContact O-N 3.05Å
339K96.8Very high96.7Very high148 Ų148119.1 Ų119.164%0.64356%0.555SS**Hα-helixtrans-63.5-40.8175.9-73174.7-175.6176.60111.8S335 E336 E337 A342 S343S335-K339 WeakPolarHBondContact O-CG 3.35Å; S335-K339 PolarHBondContact O-N 2.91Å; E336-K339 PolarHBondContact O-N 2.66Å; E337-K339 VanDerWaalsContact C-N 3.34Å; E337-K339 PolarHBondContact O-N 2.98Å; K339-A342 PolarHBondContact O-N 2.93Å; K339-S343 PolarHBondContact O-N 2.93Å; K339-S343 PolarHBondContact O-OG 3.43Å
340R96.9Very high96.7Very high188 Ų188116 Ų11671%0.70955%0.549SS*.Hα-helixtrans-64-45.6175.7-74.8-173.869.2150.33.8112.1E336 E337 A342 S343 E344E336-R340 WeakPolarHBondContact O-CG 3.42Å; E336-R340 PolarHBondContact O-N 3.2Å; E337-R340 PolarHBondContact O-N 3.24Å; R340-A342 VanDerWaalsContact C-N 3.3Å; R340-A342 PolarHBondContact O-N 3.48Å; R340-S343 PolarHBondContact O-N 3.44Å; R340-S343 PolarHBondContact O-OG 3.33Å; R340-E344 WeakPolarHBondContact O-CB 3.21Å; R340-E344 PolarHBondContact O-N 2.97Å
341L96.7Very high96.7Very high74 Ų74116.9 Ų116.939%0.38755%0.547SS..Hα-helixtrans-64.3-37176.6-70.5172.5000111.5E337 Q338 R345E337-L341 HydrophobicContact CG-CD1 4.27Å; E337-L341 WeakPolarHBondContact O-CG 3.47Å; E337-L341 PolarHBondContact O-N 3.1Å; Q338-L341 PolarHBondContact O-N 2.96Å; L341-R345 WeakPolarHBondContact O-CB 3.31Å; L341-R345 WeakPolarHBondContact O-CG 3.29Å; L341-R345 PolarHBondContact O-N 3.31Å
342A97.4Very high96.7Very high58 Ų58117.3 Ų117.348%0.47955%0.546SS..Hα-helixtrans-65.7-43175.400000112.4Q338 K339 R340 R345 R346Q338-A342 WeakPolarHBondContact O-CB 3.42Å; Q338-A342 PolarHBondContact O-N 3.05Å; K339-A342 PolarHBondContact O-N 2.93Å; R340-A342 VanDerWaalsContact C-N 3.3Å; R340-A342 PolarHBondContact O-N 3.48Å; A342-R345 PolarHBondContact O-N 3.38Å; A342-R346 PolarHBondContact O-N 2.9Å
343S97.3Very high96.8Very high61 Ų61118.3 Ų118.343%0.42754%0.543SS..Hα-helixtrans-67.6-40.1176.766.40000112.1K339 R340 R346 Q347K339-S343 PolarHBondContact O-N 2.93Å; K339-S343 PolarHBondContact O-OG 3.43Å; R340-S343 PolarHBondContact O-N 3.44Å; R340-S343 PolarHBondContact O-OG 3.33Å; S343-R346 WeakPolarHBondContact O-CB 3.32Å; S343-R346 PolarHBondContact O-N 3.38Å; S343-Q347 WeakPolarHBondContact O-CG 3.48Å; S343-Q347 PolarHBondContact O-N 2.92Å
344E97.4Very high96.8Very high84 Ų84116.4 Ų116.439%0.39354%0.542SS..Hα-helixtrans-62.4-45174.5-170.3-171153.900111.6R340 R346 Q347 K348R340-E344 WeakPolarHBondContact O-CB 3.21Å; R340-E344 PolarHBondContact O-N 2.97Å; E344-R346 VanDerWaalsContact C-N 3.3Å; E344-R346 PolarHBondContact O-N 3.01Å; E344-Q347 PolarHBondContact O-N 3.44Å; E344-K348 HydrophobicContact CG-CD 4.36Å; E344-K348 WeakPolarHBondContact O-CG 3.43Å; E344-K348 PolarHBondContact O-N 3.25Å; E344-K348 VanDerWaalsContact OE1-CE 3.32Å; E344-K348 WeakPolarHBondContact OE1-CE 3.5Å; E344-K348 IonicContact OE1-NZ 2.65Å; E344-K348 PolarHBondContact OE1-NZ 3.23Å
345R96.9Very high96.8Very high167 Ų167116.5 Ų116.563%0.6354%0.543SS*.Hα-helixtrans-58.9-41.3173.9-76.2173.5-173-176.52.8111.5L341 A342 R349L341-R345 WeakPolarHBondContact O-CB 3.31Å; L341-R345 WeakPolarHBondContact O-CG 3.29Å; L341-R345 PolarHBondContact O-N 3.31Å; A342-R345 PolarHBondContact O-N 3.38Å; R345-R349 WeakPolarHBondContact O-CB 3.37Å; R345-R349 VanDerWaalsContact O-CG 3.31Å; R345-R349 WeakPolarHBondContact O-CG 3.4Å; R345-R349 PolarHBondContact O-N 2.93Å
346R96.6Very high96.9Very high190 Ų190117.2 Ų117.272%0.71755%0.545SS*.Hα-helixtrans-63.4-45.4176.7-173.5179.3179.6-176.50.2111.4A342 S343 E344 R349 M350A342-R346 PolarHBondContact O-N 2.9Å; S343-R346 WeakPolarHBondContact O-CB 3.32Å; S343-R346 PolarHBondContact O-N 3.38Å; E344-R346 VanDerWaalsContact C-N 3.3Å; E344-R346 PolarHBondContact O-N 3.01Å; R346-R349 PolarHBondContact O-N 2.9Å; R346-M350 WeakPolarHBondContact O-CG 3.46Å; R346-M350 PolarHBondContact O-N 3.32Å
347Q97Very high97Very high127 Ų127116.4 Ų116.459%0.59354%0.54SS*.Hα-helixtrans-62.1-46.2177.1-73176.3-8.300112S343 E344 R349 M350 Q351S343-Q347 WeakPolarHBondContact O-CG 3.48Å; S343-Q347 PolarHBondContact O-N 2.92Å; E344-Q347 PolarHBondContact O-N 3.44Å; Q347-R349 VanDerWaalsContact C-N 3.32Å; Q347-R349 PolarHBondContact O-N 2.96Å; Q347-M350 WeakPolarHBondContact O-CB 3.48Å; Q347-M350 PolarHBondContact O-N 3.19Å; Q347-Q351 WeakPolarHBondContact O-CG 3.48Å; Q347-Q351 PolarHBondContact O-N 3.4Å
348K97.5Very high96.9Very high115 Ų115114.2 Ų114.250%0.553%0.53SS..Hα-helixtrans-59.8-41.1175.9-76.3175.8169.9169.30112E344 Q351 V352E344-K348 HydrophobicContact CG-CD 4.36Å; E344-K348 WeakPolarHBondContact O-CG 3.43Å; E344-K348 PolarHBondContact O-N 3.25Å; E344-K348 VanDerWaalsContact OE1-CE 3.32Å; E344-K348 WeakPolarHBondContact OE1-CE 3.5Å; E344-K348 IonicContact OE1-NZ 2.65Å; E344-K348 PolarHBondContact OE1-NZ 3.23Å; K348-Q351 PolarHBondContact O-N 3.4Å; K348-V352 VanDerWaalsContact O-CG2 3.29Å; K348-V352 WeakPolarHBondContact O-CG2 3.37Å; K348-V352 PolarHBondContact O-N 2.94Å
349R96.9Very high96.9Very high192 Ų192113 Ų11373%0.72553%0.526SS*.Hα-helixtrans-61.6-44.8174.3-75.6177.1-177.2-162.80.1112.2R345 R346 Q347 Q351 V352 E353R345-R349 WeakPolarHBondContact O-CB 3.37Å; R345-R349 VanDerWaalsContact O-CG 3.31Å; R345-R349 WeakPolarHBondContact O-CG 3.4Å; R345-R349 PolarHBondContact O-N 2.93Å; R346-R349 PolarHBondContact O-N 2.9Å; Q347-R349 VanDerWaalsContact C-N 3.32Å; Q347-R349 PolarHBondContact O-N 2.96Å; R349-Q351 PolarHBondContact O-N 3.48Å; R349-V352 PolarHBondContact O-N 2.91Å; R349-E353 WeakPolarHBondContact O-CB 3.47Å; R349-E353 PolarHBondContact O-N 3.01Å
350M96.8Very high96.9Very high111 Ų111110.8 Ų110.855%0.54752%0.518SS..Hα-helixtrans-60-44.7176.2-69.2-63.5-55.400111.7R346 Q347 E353 E354R346-M350 WeakPolarHBondContact O-CG 3.46Å; R346-M350 PolarHBondContact O-N 3.32Å; Q347-M350 WeakPolarHBondContact O-CB 3.48Å; Q347-M350 PolarHBondContact O-N 3.19Å; M350-E353 PolarHBondContact O-N 3.41Å; M350-E354 WeakPolarHBondContact O-CB 3.3Å; M350-E354 PolarHBondContact O-N 3.14Å
351Q97Very high96.9Very high116 Ų116109 Ų10954%0.54251%0.512SS..Hα-helixtrans-62.8-42.7176.6-72.8177.7-12.100112.1Q347 K348 R349 E353 E354 N355Q347-Q351 WeakPolarHBondContact O-CG 3.48Å; Q347-Q351 PolarHBondContact O-N 3.4Å; K348-Q351 PolarHBondContact O-N 3.4Å; R349-Q351 PolarHBondContact O-N 3.48Å; Q351-E353 VanDerWaalsContact C-N 3.34Å; Q351-E354 PolarHBondContact O-N 3.37Å; Q351-N355 WeakPolarHBondContact O-CB 3.34Å; Q351-N355 PolarHBondContact O-N 3.3Å; Q351-N355 PolarHBondContact O-ND2 3.41Å
352V97.2Very high96.9Very high88 Ų88112.5 Ų112.553%0.53352%0.519SS..Hα-helixtrans-63.5-41.8176.2169.90000110.7K348 R349 N355 T356K348-V352 VanDerWaalsContact O-CG2 3.29Å; K348-V352 WeakPolarHBondContact O-CG2 3.37Å; K348-V352 PolarHBondContact O-N 2.94Å; R349-V352 PolarHBondContact O-N 2.91Å; V352-N355 PolarHBondContact O-N 3.19Å; V352-T356 WeakPolarHBondContact O-CB 3.49Å; V352-T356 PolarHBondContact O-N 2.95Å; V352-T356 PolarHBondContact O-OG1 3.34Å
353E97.2Very high96.9Very high92 Ų92114 Ų11443%0.4352%0.516SS..Hα-helixtrans-63-44.2177.2-169.1-172.2156.100111.8R349 M350 Q351 T356 K357R349-E353 WeakPolarHBondContact O-CB 3.47Å; R349-E353 PolarHBondContact O-N 3.01Å; M350-E353 PolarHBondContact O-N 3.41Å; Q351-E353 VanDerWaalsContact C-N 3.34Å; E353-T356 PolarHBondContact O-N 3.35Å; E353-K357 WeakPolarHBondContact O-CG 3.35Å; E353-K357 PolarHBondContact O-N 3.46Å; E353-K357 WeakPolarHBondContact OE1-CE 3.26Å; E353-K357 IonicContact OE1-NZ 3.24Å; E353-K357 PolarHBondContact OE1-NZ 3.3Å
354E96.7Very high96.9Very high137 Ų137116 Ų11664%0.6452%0.519SS*.Hα-helixtrans-62.6-47.8176.1-174.6172.1-161.100111.8M350 Q351 T356 K357 E358M350-E354 WeakPolarHBondContact O-CB 3.3Å; M350-E354 PolarHBondContact O-N 3.14Å; Q351-E354 PolarHBondContact O-N 3.37Å; E354-T356 VanDerWaalsContact C-N 3.28Å; E354-T356 PolarHBondContact O-N 3.31Å; E354-K357 PolarHBondContact O-N 2.95Å; E354-E358 PolarHBondContact O-N 2.7Å
355N96.9Very high96.9Very high98 Ų98118 Ų11852%0.52453%0.529SS..Hα-helixtrans-59.8-39.3175.2-71.7-16.3000111.7Q351 V352 E358 I359Q351-N355 WeakPolarHBondContact O-CB 3.34Å; Q351-N355 PolarHBondContact O-N 3.3Å; Q351-N355 PolarHBondContact O-ND2 3.41Å; V352-N355 PolarHBondContact O-N 3.19Å; N355-E358 PolarHBondContact O-N 3.01Å; N355-I359 VanDerWaalsContact O-CG1 3.26Å; N355-I359 WeakPolarHBondContact O-CG1 3.44Å; N355-I359 PolarHBondContact O-N 2.66Å
356T97.2Very high96.9Very high62 Ų62115 Ų11538%0.3853%0.528SS..Hα-helixtrans-64.5-42.4177.9-56.30000111.1V352 E353 E354 I359 Q360V352-T356 WeakPolarHBondContact O-CB 3.49Å; V352-T356 PolarHBondContact O-N 2.95Å; V352-T356 PolarHBondContact O-OG1 3.34Å; E353-T356 PolarHBondContact O-N 3.35Å; E354-T356 VanDerWaalsContact C-N 3.28Å; E354-T356 PolarHBondContact O-N 3.31Å; T356-I359 PolarHBondContact O-N 2.86Å; T356-Q360 VanDerWaalsContact O-CG 3.3Å; T356-Q360 WeakPolarHBondContact O-CG 3.41Å; T356-Q360 PolarHBondContact O-N 2.93Å
357K97.3Very high96.9Very high101 Ų101112.9 Ų112.944%0.43952%0.52SS..Hα-helixtrans-63.3-41175.6-72.7171.7-174.6166.80111.8E353 E354 Q360 R361E353-K357 WeakPolarHBondContact O-CG 3.35Å; E353-K357 PolarHBondContact O-N 3.46Å; E353-K357 WeakPolarHBondContact OE1-CE 3.26Å; E353-K357 IonicContact OE1-NZ 3.24Å; E353-K357 PolarHBondContact OE1-NZ 3.3Å; E354-K357 PolarHBondContact O-N 2.95Å; K357-Q360 PolarHBondContact O-N 2.97Å; K357-R361 WeakPolarHBondContact O-CG 3.34Å; K357-R361 PolarHBondContact O-N 3.42Å
358E96.2Very high96.9Very high69 Ų69113.5 Ų113.532%0.32252%0.521SS..Hα-helixtrans-65.7-42.8177.3179.959-163.700111.9E354 N355 Q360 R361 R362E354-E358 PolarHBondContact O-N 2.7Å; N355-E358 PolarHBondContact O-N 3.01Å; E358-Q360 VanDerWaalsContact C-N 3.35Å; E358-Q360 PolarHBondContact O-N 2.88Å; E358-R361 PolarHBondContact O-N 2.89Å; E358-R362 WeakPolarHBondContact O-CG 3.46Å; E358-R362 PolarHBondContact O-N 3.47Å; E358-R362 VanDerWaalsContact O-N 3.07Å; E358-R362 IonicContact OE1-CZ 3.82Å; E358-R362 IonicContact OE1-NE 3.5Å; E358-R362 PolarHBondContact OE1-NE 3.48Å; E358-R362 IonicContact OE1-NH2 3.82Å; E358-R362 PolarHBondContact OE1-NH2 3.35Å
359I95.9Very high96.9Very high94 Ų94111 Ų11148%0.48252%0.521SS..Hα-helixtrans-60.1-45.8173.4-68.7165.1000110.5N355 T356 R361 R362 E363N355-I359 VanDerWaalsContact O-CG1 3.26Å; N355-I359 WeakPolarHBondContact O-CG1 3.44Å; N355-I359 PolarHBondContact O-N 2.66Å; T356-I359 PolarHBondContact O-N 2.86Å; I359-R361 VanDerWaalsContact C-N 3.31Å; I359-R361 PolarHBondContact O-N 3.42Å; I359-R362 PolarHBondContact O-N 3.12Å; I359-E363 HydrophobicContact CG2-CG 4.43Å; I359-E363 WeakPolarHBondContact O-CG 3.3Å; I359-E363 PolarHBondContact O-N 3.25Å
360Q97Very high97Very high102 Ų102104.2 Ų104.248%0.47751%0.507SS..Hα-helixtrans-59.8-38.6177.1-75.1175.70.100112.6T356 K357 E358 E363 Q364T356-Q360 VanDerWaalsContact O-CG 3.3Å; T356-Q360 WeakPolarHBondContact O-CG 3.41Å; T356-Q360 PolarHBondContact O-N 2.93Å; K357-Q360 PolarHBondContact O-N 2.97Å; E358-Q360 VanDerWaalsContact C-N 3.35Å; E358-Q360 PolarHBondContact O-N 2.88Å; Q360-E363 PolarHBondContact O-N 3Å; Q360-Q364 VanDerWaalsContact O-CG 3.3Å; Q360-Q364 WeakPolarHBondContact O-CG 3.3Å; Q360-Q364 PolarHBondContact O-N 2.99Å
361R96.8Very high97Very high152 Ų152103.9 Ų103.957%0.57450%0.504SS*.Hα-helixtrans-63.3-48.3175.3-74.5175.7-179.6170.2-1111.6K357 E358 I359 E363 Q364 E365K357-R361 WeakPolarHBondContact O-CG 3.34Å; K357-R361 PolarHBondContact O-N 3.42Å; E358-R361 PolarHBondContact O-N 2.89Å; I359-R361 VanDerWaalsContact C-N 3.31Å; I359-R361 PolarHBondContact O-N 3.42Å; R361-E363 VanDerWaalsContact C-N 3.32Å; R361-E363 PolarHBondContact O-N 3.48Å; R361-Q364 WeakPolarHBondContact O-CB 3.27Å; R361-Q364 PolarHBondContact O-N 2.98Å; R361-Q364 VanDerWaalsContact O-N 3.12Å; R361-E365 WeakPolarHBondContact O-CG 3.38Å; R361-E365 PolarHBondContact O-N 2.9Å
362R96.8Very high97Very high146 Ų146103 Ų10355%0.55150%0.502SS*.Hα-helixtrans-61.2-41.5177.3-67.3177.6-169.5-178.12.1111.8E358 I359 Q364 E365 V366E358-R362 WeakPolarHBondContact O-CG 3.46Å; E358-R362 PolarHBondContact O-N 3.47Å; E358-R362 VanDerWaalsContact O-N 3.07Å; E358-R362 IonicContact OE1-CZ 3.82Å; E358-R362 IonicContact OE1-NE 3.5Å; E358-R362 PolarHBondContact OE1-NE 3.48Å; E358-R362 IonicContact OE1-NH2 3.82Å; E358-R362 PolarHBondContact OE1-NH2 3.35Å; I359-R362 PolarHBondContact O-N 3.12Å; R362-Q364 VanDerWaalsContact C-N 3.34Å; R362-Q364 PolarHBondContact O-N 2.93Å; R362-E365 PolarHBondContact O-N 3.26Å; R362-V366 VanDerWaalsContact O-CG2 3.3Å; R362-V366 WeakPolarHBondContact O-CG2 3.42Å; R362-V366 PolarHBondContact O-N 3.39Å
363E96.1Very high97.1Very high89 Ų89100.7 Ų100.742%0.41649%0.493SS..Hα-helixtrans-60.9-42.5173.8-75.9-175-174.300112I359 Q360 R361 V366 R367I359-E363 HydrophobicContact CG2-CG 4.43Å; I359-E363 WeakPolarHBondContact O-CG 3.3Å; I359-E363 PolarHBondContact O-N 3.25Å; Q360-E363 PolarHBondContact O-N 3Å; R361-E363 VanDerWaalsContact C-N 3.32Å; R361-E363 PolarHBondContact O-N 3.48Å; E363-V366 PolarHBondContact O-N 3.37Å; E363-R367 WeakPolarHBondContact O-CB 3.46Å; E363-R367 VanDerWaalsContact O-CG 3.27Å; E363-R367 WeakPolarHBondContact O-CG 3.4Å; E363-R367 PolarHBondContact O-N 3.23Å; E363-R367 IonicContact OE2-NH2 3.81Å; E363-R367 PolarHBondContact OE2-NH2 3.07Å; E363-R367 VanDerWaalsContact OE2-NH2 3.14Å
364Q97.3Very high97.1Very high103 Ų103101.1 Ų101.148%0.48150%0.497SS..Hα-helixtrans-64.8-39.5176.4-74.8177.57.600112.3Q360 R361 R362 R367 K368Q360-Q364 VanDerWaalsContact O-CG 3.3Å; Q360-Q364 WeakPolarHBondContact O-CG 3.3Å; Q360-Q364 PolarHBondContact O-N 2.99Å; R361-Q364 WeakPolarHBondContact O-CB 3.27Å; R361-Q364 PolarHBondContact O-N 2.98Å; R361-Q364 VanDerWaalsContact O-N 3.12Å; R362-Q364 VanDerWaalsContact C-N 3.34Å; R362-Q364 PolarHBondContact O-N 2.93Å; Q364-R367 PolarHBondContact O-N 2.87Å; Q364-K368 WeakPolarHBondContact O-CG 3.45Å; Q364-K368 PolarHBondContact O-N 2.91Å
365E96.7Very high97.1Very high128 Ų128101.9 Ų101.960%0.59849%0.494SS*.Hα-helixtrans-63.1-46.1175-72.5170.2-175.500111.4R361 R362 R367 K368 A369R361-E365 WeakPolarHBondContact O-CG 3.38Å; R361-E365 PolarHBondContact O-N 2.9Å; R362-E365 PolarHBondContact O-N 3.26Å; E365-R367 VanDerWaalsContact C-N 3.34Å; E365-R367 PolarHBondContact O-N 3.3Å; E365-K368 PolarHBondContact O-N 3.37Å; E365-A369 WeakPolarHBondContact O-CB 3.36Å; E365-A369 PolarHBondContact O-N 3.47Å
366V97.4Very high97.1Very high103 Ų103102.8 Ų102.862%0.62450%0.495SS*.Hα-helixtrans-61.4-42.6175.3172.60000111R362 E363 A369 A370R362-V366 VanDerWaalsContact O-CG2 3.3Å; R362-V366 WeakPolarHBondContact O-CG2 3.42Å; R362-V366 PolarHBondContact O-N 3.39Å; E363-V366 PolarHBondContact O-N 3.37Å; V366-A369 PolarHBondContact O-N 2.93Å; V366-A370 WeakPolarHBondContact O-CB 3.42Å; V366-A370 PolarHBondContact O-N 3.39Å
367R97.1Very high97.1Very high146 Ų146106.3 Ų106.355%0.55151%0.506SS*.Hα-helixtrans-59.5-48.6175-75.8176.8-167.515314.7111.5E363 Q364 E365 A369 A370 E371E363-R367 WeakPolarHBondContact O-CB 3.46Å; E363-R367 VanDerWaalsContact O-CG 3.27Å; E363-R367 WeakPolarHBondContact O-CG 3.4Å; E363-R367 PolarHBondContact O-N 3.23Å; E363-R367 IonicContact OE2-NH2 3.81Å; E363-R367 PolarHBondContact OE2-NH2 3.07Å; E363-R367 VanDerWaalsContact OE2-NH2 3.14Å; Q364-R367 PolarHBondContact O-N 2.87Å; E365-R367 VanDerWaalsContact C-N 3.34Å; E365-R367 PolarHBondContact O-N 3.3Å; R367-A369 PolarHBondContact O-N 3.31Å; R367-A370 PolarHBondContact O-N 2.93Å; R367-E371 WeakPolarHBondContact O-CG 3.48Å; R367-E371 PolarHBondContact O-N 3.29Å
368K97.5Very high97.1Very high140 Ų140105.5 Ų105.561%0.60951%0.506SS*.Hα-helixtrans-62.4-41.1177.6-73174.7-178177.60112.4Q364 E365 E371 L372Q364-K368 WeakPolarHBondContact O-CG 3.45Å; Q364-K368 PolarHBondContact O-N 2.91Å; E365-K368 PolarHBondContact O-N 3.37Å; K368-E371 PolarHBondContact O-N 2.97Å; K368-L372 PolarHBondContact O-N 2.92Å
369A97.7Very high97.2Very high61 Ų61106.8 Ų106.850%0.50451%0.512SS..Hα-helixtrans-64.2-41.3176.500000111.6E365 V366 R367 L372 A373E365-A369 WeakPolarHBondContact O-CB 3.36Å; E365-A369 PolarHBondContact O-N 3.47Å; V366-A369 PolarHBondContact O-N 2.93Å; R367-A369 PolarHBondContact O-N 3.31Å; A369-L372 PolarHBondContact O-N 2.91Å; A369-A373 WeakPolarHBondContact O-CB 3.4Å; A369-A373 PolarHBondContact O-N 3.4Å
370A97.8Very high97.3Very high51 Ų51107.3 Ų107.342%0.42151%0.512SS..Hα-helixtrans-64.1-43.5174.800000112V366 R367 L372 A373 L374V366-A370 WeakPolarHBondContact O-CB 3.42Å; V366-A370 PolarHBondContact O-N 3.39Å; R367-A370 PolarHBondContact O-N 2.93Å; A370-L372 PolarHBondContact O-N 3.46Å; A370-A373 PolarHBondContact O-N 2.87Å; A370-L374 WeakPolarHBondContact O-CG 3.33Å; A370-L374 PolarHBondContact O-N 3.12Å
371E97.7Very high97.3Very high104 Ų104106.6 Ų106.649%0.48651%0.511SS..Hα-helixtrans-59.7-43.3174.6-75.7175.3-164.500112.1R367 K368 L374 R375R367-E371 WeakPolarHBondContact O-CG 3.48Å; R367-E371 PolarHBondContact O-N 3.29Å; K368-E371 PolarHBondContact O-N 2.97Å; E371-L374 PolarHBondContact O-N 3.1Å; E371-R375 WeakPolarHBondContact O-CG 3.38Å; E371-R375 PolarHBondContact O-N 3.46Å
372L97.5Very high97.3Very high96 Ų96107.5 Ų107.550%0.50351%0.514SS..Hα-helixtrans-63.7-44176.6-175.168.9000111.5K368 A369 A370 L374 R375 Q376K368-L372 PolarHBondContact O-N 2.92Å; A369-L372 PolarHBondContact O-N 2.91Å; A370-L372 PolarHBondContact O-N 3.46Å; L372-L374 VanDerWaalsContact C-N 3.33Å; L372-L374 PolarHBondContact O-N 3.34Å; L372-R375 PolarHBondContact O-N 3.39Å; L372-Q376 WeakPolarHBondContact O-CG 3.44Å; L372-Q376 PolarHBondContact O-N 3.47Å
373A97.6Very high97.3Very high40 Ų40107.4 Ų107.433%0.33151%0.514SS..Hα-helixtrans-63.8-37.6177.800000112.2A369 A370 K377A369-A373 WeakPolarHBondContact O-CB 3.4Å; A369-A373 PolarHBondContact O-N 3.4Å; A370-A373 PolarHBondContact O-N 2.87Å; A373-K377 WeakPolarHBondContact O-CG 3.47Å; A373-K377 PolarHBondContact O-N 3.31Å; A373-K377 VanDerWaalsContact O-N 3.12Å
374L97.1Very high97.3Very high101 Ų101106.5 Ų106.553%0.52951%0.511SS..Hα-helixtrans-64.2-46.8173.1-74.2173.2000111.2A370 E371 L372 Q376 K377 D378A370-L374 WeakPolarHBondContact O-CG 3.33Å; A370-L374 PolarHBondContact O-N 3.12Å; E371-L374 PolarHBondContact O-N 3.1Å; L372-L374 VanDerWaalsContact C-N 3.33Å; L372-L374 PolarHBondContact O-N 3.34Å; L374-Q376 VanDerWaalsContact C-N 3.32Å; L374-Q376 PolarHBondContact O-N 3.27Å; L374-K377 WeakPolarHBondContact O-CB 3.4Å; L374-K377 PolarHBondContact O-N 2.99Å; L374-K377 VanDerWaalsContact O-N 3.1Å; L374-D378 PolarHBondContact O-N 2.97Å
375R97.3Very high97.3Very high153 Ų153105.5 Ų105.558%0.57751%0.508SS*.Hα-helixtrans-57.5-43.1176.3-75.2-175.4-178.6133.25.8112.7E371 L372 K377 D378 E379E371-R375 WeakPolarHBondContact O-CG 3.38Å; E371-R375 PolarHBondContact O-N 3.46Å; L372-R375 PolarHBondContact O-N 3.39Å; R375-K377 VanDerWaalsContact C-N 3.34Å; R375-K377 PolarHBondContact O-N 3Å; R375-D378 PolarHBondContact O-N 2.94Å; R375-E379 WeakPolarHBondContact O-CB 3.4Å; R375-E379 WeakPolarHBondContact O-CG 3.27Å; R375-E379 PolarHBondContact O-N 3.12Å
376Q97.4Very high97.3Very high117 Ų117105.2 Ų105.255%0.54751%0.507SS..Hα-helixtrans-62.3-40.2176.6-72.5176-13.300112.3L372 L374 H380L372-Q376 WeakPolarHBondContact O-CG 3.44Å; L372-Q376 PolarHBondContact O-N 3.47Å; L374-Q376 VanDerWaalsContact C-N 3.32Å; L374-Q376 PolarHBondContact O-N 3.27Å; Q376-H380 WeakPolarHBondContact O-CB 3.49Å; Q376-H380 PolarHBondContact O-N 3.49Å
377K97.9Very high97.3Very high137 Ų137104.6 Ų104.660%0.59650%0.498SS*.Hα-helixtrans-66.1-43.6175-73.2176.5-179.2177.70111.5A373 L374 R375 H380 I381A373-K377 WeakPolarHBondContact O-CG 3.47Å; A373-K377 PolarHBondContact O-N 3.31Å; A373-K377 VanDerWaalsContact O-N 3.12Å; L374-K377 WeakPolarHBondContact O-CB 3.4Å; L374-K377 PolarHBondContact O-N 2.99Å; L374-K377 VanDerWaalsContact O-N 3.1Å; R375-K377 VanDerWaalsContact C-N 3.34Å; R375-K377 PolarHBondContact O-N 3Å; K377-H380 WeakPolarHBondContact O-CB 3.38Å; K377-H380 PolarHBondContact O-N 3.32Å; K377-I381 VanDerWaalsContact O-CG1 3.27Å; K377-I381 WeakPolarHBondContact O-CG1 3.33Å; K377-I381 PolarHBondContact O-N 3.35Å
378D97.7Very high97.3Very high84 Ų84104.1 Ų104.145%0.44950%0.499SS..Hα-helixtrans-63.5-42.8178-70.2-16.9000111.5L374 R375 H380 I381 R382L374-D378 PolarHBondContact O-N 2.97Å; R375-D378 PolarHBondContact O-N 2.94Å; D378-H380 VanDerWaalsContact C-N 3.34Å; D378-H380 PolarHBondContact O-N 2.91Å; D378-I381 PolarHBondContact O-N 2.99Å; D378-R382 WeakPolarHBondContact O-CG 3.46Å; D378-R382 PolarHBondContact O-N 2.98Å
379E97.3Very high97.3Very high96 Ų96103.2 Ų103.245%0.44950%0.497SS..Hα-helixtrans-60.9-42172.5-76.7178-160.200112.1R375 R382 R383R375-E379 WeakPolarHBondContact O-CB 3.4Å; R375-E379 WeakPolarHBondContact O-CG 3.27Å; R375-E379 PolarHBondContact O-N 3.12Å; E379-R382 PolarHBondContact O-N 3Å; E379-R383 WeakPolarHBondContact O-CG 3.34Å; E379-R383 PolarHBondContact O-N 3.22Å; E379-R383 IonicContact OE2-NH2 3.76Å; E379-R383 PolarHBondContact OE2-NH2 3.49Å; E379-R383 VanDerWaalsContact OE2-NH2 3.1Å
380H97.5Very high97.3Very high105 Ų105102.6 Ų102.649%0.48649%0.492SS..Hα-helixtrans-63.1-43.1176.3-178.460.1000111.8Q376 K377 D378 R382 R383 L384Q376-H380 WeakPolarHBondContact O-CB 3.49Å; Q376-H380 PolarHBondContact O-N 3.49Å; K377-H380 WeakPolarHBondContact O-CB 3.38Å; K377-H380 PolarHBondContact O-N 3.32Å; D378-H380 VanDerWaalsContact C-N 3.34Å; D378-H380 PolarHBondContact O-N 2.91Å; H380-R382 VanDerWaalsContact C-N 3.34Å; H380-R382 PolarHBondContact O-N 3.1Å; H380-R383 PolarHBondContact O-N 3.32Å; H380-L384 WeakPolarHBondContact O-CG 3.46Å; H380-L384 PolarHBondContact O-N 2.87Å
381I97.2Very high97.2Very high87 Ų87107.1 Ų107.145%0.44650%0.499SS..Hα-helixtrans-61-44.1175.2-68.8164.1000110.5K377 D378 R383 L384 I385K377-I381 VanDerWaalsContact O-CG1 3.27Å; K377-I381 WeakPolarHBondContact O-CG1 3.33Å; K377-I381 PolarHBondContact O-N 3.35Å; D378-I381 PolarHBondContact O-N 2.99Å; I381-R383 PolarHBondContact O-N 3.49Å; I381-L384 WeakPolarHBondContact O-CB 3.38Å; I381-L384 PolarHBondContact O-N 3.2Å; I381-I385 HydrophobicContact CG2-CD1 3.87Å; I381-I385 HydrophobicContact CG2-CG1 4.45Å; I381-I385 WeakPolarHBondContact O-CG1 3.48Å; I381-I385 PolarHBondContact O-N 3.12Å
382R97.2Very high97.1Very high170 Ų170106.2 Ų106.264%0.64250%0.496SS*.Hα-helixtrans-58.5-48.1176.3-73176.5-170.4-158.72.6112D378 E379 H380 L384 I385 E386D378-R382 WeakPolarHBondContact O-CG 3.46Å; D378-R382 PolarHBondContact O-N 2.98Å; E379-R382 PolarHBondContact O-N 3Å; H380-R382 VanDerWaalsContact C-N 3.34Å; H380-R382 PolarHBondContact O-N 3.1Å; R382-L384 VanDerWaalsContact C-N 3.3Å; R382-L384 PolarHBondContact O-N 2.92Å; R382-I385 PolarHBondContact O-N 3.18Å; R382-I385 VanDerWaalsContact O-N 3.12Å; R382-E386 WeakPolarHBondContact O-CG 3.47Å; R382-E386 PolarHBondContact O-N 2.88Å
383R96.6Very high97.1Very high145 Ų145105.9 Ų105.955%0.54749%0.492SS..Hα-helixtrans-59.6-40.3176.4-67.5177.1-151.3152.59.3112.1E379 H380 I381 I385 E386 E387E379-R383 WeakPolarHBondContact O-CG 3.34Å; E379-R383 PolarHBondContact O-N 3.22Å; E379-R383 IonicContact OE2-NH2 3.76Å; E379-R383 PolarHBondContact OE2-NH2 3.49Å; E379-R383 VanDerWaalsContact OE2-NH2 3.1Å; H380-R383 PolarHBondContact O-N 3.32Å; I381-R383 PolarHBondContact O-N 3.49Å; R383-I385 VanDerWaalsContact C-N 3.35Å; R383-E386 PolarHBondContact O-N 3.46Å; R383-E387 WeakPolarHBondContact O-CB 3.26Å; R383-E387 PolarHBondContact O-N 2.84Å
384L96.8Very high97.1Very high69 Ų69110.3 Ų110.336%0.36151%0.506SS..Hα-helixtrans-65.6-36.6176.1-76.3173.8000112.6H380 I381 R382 K388H380-L384 WeakPolarHBondContact O-CG 3.46Å; H380-L384 PolarHBondContact O-N 2.87Å; I381-L384 WeakPolarHBondContact O-CB 3.38Å; I381-L384 PolarHBondContact O-N 3.2Å; R382-L384 VanDerWaalsContact C-N 3.3Å; R382-L384 PolarHBondContact O-N 2.92Å; L384-K388 WeakPolarHBondContact O-CB 3.5Å; L384-K388 VanDerWaalsContact O-CG 3.25Å; L384-K388 WeakPolarHBondContact O-CG 3.49Å; L384-K388 PolarHBondContact O-N 3.26Å
385I96.9Very high97.1Very high82 Ų82109.2 Ų109.242%0.42151%0.507SS..Hα-helixtrans-66.3-50.2174.9-68.4166.4000109.6I381 R382 R383 E387 K388 E389I381-I385 HydrophobicContact CG2-CD1 3.87Å; I381-I385 HydrophobicContact CG2-CG1 4.45Å; I381-I385 WeakPolarHBondContact O-CG1 3.48Å; I381-I385 PolarHBondContact O-N 3.12Å; R382-I385 PolarHBondContact O-N 3.18Å; R382-I385 VanDerWaalsContact O-N 3.12Å; R383-I385 VanDerWaalsContact C-N 3.35Å; I385-E387 VanDerWaalsContact C-N 3.33Å; I385-E387 PolarHBondContact O-N 3.31Å; I385-K388 WeakPolarHBondContact O-CB 3.31Å; I385-K388 PolarHBondContact O-N 2.9Å; I385-K388 VanDerWaalsContact O-N 3.15Å; I385-E389 HydrophobicContact CG2-CG 4.34Å; I385-E389 WeakPolarHBondContact CG2-OE1 3.47Å; I385-E389 WeakPolarHBondContact O-CB 3.43Å; I385-E389 WeakPolarHBondContact O-CG 3.44Å; I385-E389 PolarHBondContact O-N 3.36Å
386E96.8Very high97.1Very high123 Ų123109 Ų10958%0.57551%0.506SS*.Hα-helixtrans-58.1-43.1177.9-71.2167.8-171.400111.9R382 R383 E389 A390R382-E386 WeakPolarHBondContact O-CG 3.47Å; R382-E386 PolarHBondContact O-N 2.88Å; R383-E386 PolarHBondContact O-N 3.46Å; E386-E389 PolarHBondContact O-N 2.81Å; E386-A390 VanDerWaalsContact O-CB 3.27Å; E386-A390 WeakPolarHBondContact O-CB 3.37Å; E386-A390 PolarHBondContact O-N 2.8Å
387E96.6Very high97Very high90 Ų90107.6 Ų107.642%0.42150%0.502SS..Hα-helixtrans-65.3-41.9176.6-174.3-179.6-171.400111.9R383 I385 A390 R391R383-E387 WeakPolarHBondContact O-CB 3.26Å; R383-E387 PolarHBondContact O-N 2.84Å; I385-E387 VanDerWaalsContact C-N 3.33Å; I385-E387 PolarHBondContact O-N 3.31Å; E387-A390 PolarHBondContact O-N 3.31Å; E387-R391 WeakPolarHBondContact O-CG 3.43Å; E387-R391 PolarHBondContact O-N 3.4Å; E387-R391 IonicContact OE1-CZ 3.07Å; E387-R391 IonicContact OE1-NE 2.68Å; E387-R391 IonicContact OE1-NH2 3.82Å; E387-R391 PolarHBondContact OE1-NH2 3.32Å
388K97.6Very high97Very high136 Ų136107.1 Ų107.159%0.59151%0.506SS*.Hα-helixtrans-62.6-45.4174.8-79.4177.5177.8-177.70111.2L384 I385 R391 I392L384-K388 WeakPolarHBondContact O-CB 3.5Å; L384-K388 VanDerWaalsContact O-CG 3.25Å; L384-K388 WeakPolarHBondContact O-CG 3.49Å; L384-K388 PolarHBondContact O-N 3.26Å; I385-K388 WeakPolarHBondContact O-CB 3.31Å; I385-K388 PolarHBondContact O-N 2.9Å; I385-K388 VanDerWaalsContact O-N 3.15Å; K388-R391 PolarHBondContact O-N 3.48Å; K388-I392 WeakPolarHBondContact O-CB 3.25Å; K388-I392 VanDerWaalsContact O-CG1 3.22Å; K388-I392 WeakPolarHBondContact O-CG1 3.48Å; K388-I392 PolarHBondContact O-N 2.88Å
389E97.3Very high96.9Very high120 Ų120105.7 Ų105.756%0.56151%0.505SS*.Hα-helixtrans-62.4-42.8176.7-73.9177.3179.200111.4I385 E386 R391 I392 Q393I385-E389 HydrophobicContact CG2-CG 4.34Å; I385-E389 WeakPolarHBondContact CG2-OE1 3.47Å; I385-E389 WeakPolarHBondContact O-CB 3.43Å; I385-E389 WeakPolarHBondContact O-CG 3.44Å; I385-E389 PolarHBondContact O-N 3.36Å; E386-E389 PolarHBondContact O-N 2.81Å; E389-R391 PolarHBondContact O-N 3.28Å; E389-I392 PolarHBondContact O-N 2.83Å; E389-Q393 WeakPolarHBondContact O-CB 3.22Å; E389-Q393 PolarHBondContact O-N 3.33Å
390A97Very high96.8Very high49 Ų49105.6 Ų105.641%0.40551%0.507SS..Hα-helixtrans-62-43.3175.200000112.1E386 E387 Q393 Q394E386-A390 VanDerWaalsContact O-CB 3.27Å; E386-A390 WeakPolarHBondContact O-CB 3.37Å; E386-A390 PolarHBondContact O-N 2.8Å; E387-A390 PolarHBondContact O-N 3.31Å; A390-Q393 PolarHBondContact O-N 3.15Å; A390-Q394 WeakPolarHBondContact O-CG 3.34Å; A390-Q394 PolarHBondContact O-N 3.41Å
391R96.9Very high96.8Very high146 Ų146103.3 Ų103.355%0.55151%0.507SS*.Hα-helixtrans-65.5-41.7175.3-73178.8-170.3177.62.1112.2E387 K388 E389 Q393 Q394 S395E387-R391 WeakPolarHBondContact O-CG 3.43Å; E387-R391 PolarHBondContact O-N 3.4Å; E387-R391 IonicContact OE1-CZ 3.07Å; E387-R391 IonicContact OE1-NE 2.68Å; E387-R391 IonicContact OE1-NH2 3.82Å; E387-R391 PolarHBondContact OE1-NH2 3.32Å; K388-R391 PolarHBondContact O-N 3.48Å; E389-R391 PolarHBondContact O-N 3.28Å; R391-Q393 VanDerWaalsContact C-N 3.26Å; R391-Q393 PolarHBondContact O-N 3.06Å; R391-Q394 PolarHBondContact O-N 3.28Å; R391-S395 WeakPolarHBondContact O-CB 3.48Å; R391-S395 PolarHBondContact O-N 2.9Å
392I96.3Very high96.7Very high85 Ų85100.8 Ų100.844%0.43650%0.499SS..Hα-helixtrans-59.9-42.5173.3-70.3164.8000109.5K388 E389 S395 R396K388-I392 WeakPolarHBondContact O-CB 3.25Å; K388-I392 VanDerWaalsContact O-CG1 3.22Å; K388-I392 WeakPolarHBondContact O-CG1 3.48Å; K388-I392 PolarHBondContact O-N 2.88Å; E389-I392 PolarHBondContact O-N 2.83Å; I392-S395 PolarHBondContact O-N 3.36Å; I392-R396 HydrophobicContact CG2-CG 4.49Å; I392-R396 WeakPolarHBondContact O-CG 3.19Å; I392-R396 PolarHBondContact O-N 3.4Å
393Q97Very high96.4Very high88 Ų8896.7 Ų96.741%0.41149%0.487SS..Hα-helixtrans-68.6-38.9179.3-16163.814.500112.4E389 A390 R391 R396 N397E389-Q393 WeakPolarHBondContact O-CB 3.22Å; E389-Q393 PolarHBondContact O-N 3.33Å; A390-Q393 PolarHBondContact O-N 3.15Å; R391-Q393 VanDerWaalsContact C-N 3.26Å; R391-Q393 PolarHBondContact O-N 3.06Å; Q393-R396 PolarHBondContact O-N 2.84Å; Q393-N397 WeakPolarHBondContact O-CB 3.37Å; Q393-N397 PolarHBondContact O-N 2.8Å; Q393-N397 PolarHBondContact O-ND2 3.03Å; Q393-N397 PolarHBondContact O-OD1 2.92Å
394Q96.6Very high96.3Very high133 Ų13393.4 Ų93.462%0.62149%0.485SS*.Hα-helixtrans-60.8-44.6171.3-74.5173.5-2.600111.5A390 R391 N397 L398A390-Q394 WeakPolarHBondContact O-CG 3.34Å; A390-Q394 PolarHBondContact O-N 3.41Å; R391-Q394 PolarHBondContact O-N 3.28Å; Q394-N397 PolarHBondContact O-N 2.83Å; Q394-L398 WeakPolarHBondContact O-CB 3.28Å; Q394-L398 PolarHBondContact O-N 3.38Å
395S96.8Very high96Very high79 Ų7995.6 Ų95.655%0.55250%0.497SS*.Hα-helixtrans-61.8-43.3176178.30000111.8R391 I392 L398 A399R391-S395 WeakPolarHBondContact O-CB 3.48Å; R391-S395 PolarHBondContact O-N 2.9Å; I392-S395 PolarHBondContact O-N 3.36Å; S395-L398 PolarHBondContact O-N 3.45Å; S395-A399 WeakPolarHBondContact O-CB 3.39Å; S395-A399 PolarHBondContact O-N 2.87Å
396R97.1Very high95.6Very high149 Ų14998.8 Ų98.856%0.56250%0.504SS*.Hα-helixtrans-60.6-46.8173.2-73.8171.5175.9169.7-1.8111.9I392 Q393 L398 A399 L400I392-R396 HydrophobicContact CG2-CG 4.49Å; I392-R396 WeakPolarHBondContact O-CG 3.19Å; I392-R396 PolarHBondContact O-N 3.4Å; Q393-R396 PolarHBondContact O-N 2.84Å; R396-L398 VanDerWaalsContact C-N 3.35Å; R396-L398 PolarHBondContact O-N 3.49Å; R396-A399 WeakPolarHBondContact O-CB 3.33Å; R396-A399 PolarHBondContact O-N 3.46Å; R396-L400 WeakPolarHBondContact O-CG 3.35Å; R396-L400 PolarHBondContact O-N 2.81Å
397N97.1Very high95.2Very high87 Ų8798.4 Ų98.447%0.46550%0.502SS..Hα-helixtrans-63.2-40.4178.8-69.1-11000112Q393 Q394 L400 A401Q393-N397 WeakPolarHBondContact O-CB 3.37Å; Q393-N397 PolarHBondContact O-N 2.8Å; Q393-N397 PolarHBondContact O-ND2 3.03Å; Q393-N397 PolarHBondContact O-OD1 2.92Å; Q394-N397 PolarHBondContact O-N 2.83Å; N397-L400 PolarHBondContact O-N 3.25Å; N397-A401 WeakPolarHBondContact O-CB 3.46Å; N397-A401 PolarHBondContact O-N 2.82Å
398L96.5Very high94.9Very high127 Ų12798 Ų9867%0.66550%0.5SS*.Hα-helixtrans-65.5-41.9175.1-176.568.2000111.3Q394 S395 R396 A401 A402Q394-L398 WeakPolarHBondContact O-CB 3.28Å; Q394-L398 PolarHBondContact O-N 3.38Å; S395-L398 PolarHBondContact O-N 3.45Å; R396-L398 VanDerWaalsContact C-N 3.35Å; R396-L398 PolarHBondContact O-N 3.49Å; L398-A401 PolarHBondContact O-N 3.43Å; L398-A402 VanDerWaalsContact O-CB 3.3Å; L398-A402 WeakPolarHBondContact O-CB 3.36Å; L398-A402 PolarHBondContact O-N 2.85Å
399A95.8Very high94.3Very high54 Ų5496 Ų9645%0.44649%0.494SS..Hα-helixtrans-61.3-43.7175.600000111.6S395 R396 A402 E403S395-A399 WeakPolarHBondContact O-CB 3.39Å; S395-A399 PolarHBondContact O-N 2.87Å; R396-A399 WeakPolarHBondContact O-CB 3.33Å; R396-A399 PolarHBondContact O-N 3.46Å; A399-A402 PolarHBondContact O-N 3.47Å; A399-E403 WeakPolarHBondContact O-CB 3.32Å; A399-E403 PolarHBondContact O-N 2.88Å
400L96.2Very high93.7Very high93 Ų9392.9 Ų92.949%0.48748%0.48SS..Hα-helixtrans-63.9-45.4174.1-71.9172.8000112R396 N397 A402 E403 C404R396-L400 WeakPolarHBondContact O-CG 3.35Å; R396-L400 PolarHBondContact O-N 2.81Å; N397-L400 PolarHBondContact O-N 3.25Å; L400-A402 VanDerWaalsContact C-N 3.31Å; L400-A402 PolarHBondContact O-N 3.32Å; L400-E403 WeakPolarHBondContact O-CB 3.33Å; L400-E403 PolarHBondContact O-N 3.42Å; L400-E403 VanDerWaalsContact O-N 3.16Å; L400-C404 PolarHBondContact O-N 2.91Å; L400-C404 PolarHBondContact O-SG 3.36Å
401A96Very high93Very high58 Ų5898.8 Ų98.848%0.47949%0.492SS..Hα-helixtrans-62.4-39.9177.200000111.9N397 L398 L405N397-A401 WeakPolarHBondContact O-CB 3.46Å; N397-A401 PolarHBondContact O-N 2.82Å; L398-A401 PolarHBondContact O-N 3.43Å; A401-L405 WeakPolarHBondContact O-CB 3.24Å; A401-L405 PolarHBondContact O-N 2.63Å
402A95.3Very high92.5Very high33 Ų3395.9 Ų95.927%0.27349%0.491SS..Hα-helixtrans-67.3-35.8174.300000112.2L398 A399 L400 R406L398-A402 VanDerWaalsContact O-CB 3.3Å; L398-A402 WeakPolarHBondContact O-CB 3.36Å; L398-A402 PolarHBondContact O-N 2.85Å; A399-A402 PolarHBondContact O-N 3.47Å; L400-A402 VanDerWaalsContact C-N 3.31Å; L400-A402 PolarHBondContact O-N 3.32Å; A402-R406 WeakPolarHBondContact O-CB 3.12Å; A402-R406 VanDerWaalsContact O-CG 3.3Å; A402-R406 WeakPolarHBondContact O-CG 3.26Å; A402-R406 PolarHBondContact O-N 2.82Å
403E91.5Very high91.8Very high85 Ų8599 Ų9940%0.39750%0.498SS..Hα-helixtrans-63.5-52.1172.4-179.2177.3-155.700111.4A399 L400 L405 R406 E407A399-E403 WeakPolarHBondContact O-CB 3.32Å; A399-E403 PolarHBondContact O-N 2.88Å; L400-E403 WeakPolarHBondContact O-CB 3.33Å; L400-E403 PolarHBondContact O-N 3.42Å; L400-E403 VanDerWaalsContact O-N 3.16Å; E403-L405 VanDerWaalsContact C-N 3.27Å; E403-L405 PolarHBondContact O-N 2.92Å; E403-R406 WeakPolarHBondContact O-CA 3.38Å; E403-R406 WeakPolarHBondContact O-CB 3.35Å; E403-R406 PolarHBondContact O-N 2.79Å; E403-E407 WeakPolarHBondContact O-CG 3.27Å; E403-E407 PolarHBondContact O-N 3.32Å
404C93.5Very high90.8Very high76 Ų76101.9 Ų101.951%0.51452%0.516SS..Hα-helixtrans-57.2-40.7176.2-64.60000112.1L400 E407 E408L400-C404 PolarHBondContact O-N 2.91Å; L400-C404 PolarHBondContact O-SG 3.36Å; C404-E407 PolarHBondContact O-N 3.36Å; C404-E408 WeakPolarHBondContact O-CB 3.47Å; C404-E408 PolarHBondContact O-N 2.94Å
405L91.9Very high89.8Confident114 Ų11499.7 Ų99.760%0.59751%0.509SS*.Hα-helixtrans-64-42.5175.4-176.767000111.7A401 E403 E408 M409A401-L405 WeakPolarHBondContact O-CB 3.24Å; A401-L405 PolarHBondContact O-N 2.63Å; E403-L405 VanDerWaalsContact C-N 3.27Å; E403-L405 PolarHBondContact O-N 2.92Å; L405-E408 PolarHBondContact O-N 3.45Å; L405-M409 WeakPolarHBondContact O-CG 3.43Å; L405-M409 PolarHBondContact O-N 3.5Å
406R88.4Confident89Confident150 Ų15099 Ų9957%0.56650%0.499SS*.Hα-helixtrans-61.8-45.8175.3-77-174.8-63.7-102.40.9111.1A402 E403 M409 L410A402-R406 WeakPolarHBondContact O-CB 3.12Å; A402-R406 VanDerWaalsContact O-CG 3.3Å; A402-R406 WeakPolarHBondContact O-CG 3.26Å; A402-R406 PolarHBondContact O-N 2.82Å; E403-R406 WeakPolarHBondContact O-CA 3.38Å; E403-R406 WeakPolarHBondContact O-CB 3.35Å; E403-R406 PolarHBondContact O-N 2.79Å; R406-M409 PolarHBondContact O-N 3.13Å; R406-L410 VanDerWaalsContact O-CG 3.3Å; R406-L410 WeakPolarHBondContact O-CG 3.4Å; R406-L410 PolarHBondContact O-N 2.84Å
407E87.1Confident88.2Confident114 Ų11493.8 Ų93.853%0.53349%0.485SS..Hα-helixtrans-62-41.7176.7-69.8-175.1155.700112.3E403 C404 L410 R411E403-E407 WeakPolarHBondContact O-CG 3.27Å; E403-E407 PolarHBondContact O-N 3.32Å; C404-E407 PolarHBondContact O-N 3.36Å; E407-L410 WeakPolarHBondContact O-CB 3.42Å; E407-L410 PolarHBondContact O-N 2.89Å; E407-R411 WeakPolarHBondContact O-CB 3.4Å; E407-R411 PolarHBondContact O-N 3.24Å
408E90.2Very high87.3Confident83 Ų8397 Ų9739%0.38850%0.495SS..Hα-helixtrans-62.9-43.1175.5-170.566.9-149.200111.2C404 L405 R411 V412C404-E408 WeakPolarHBondContact O-CB 3.47Å; C404-E408 PolarHBondContact O-N 2.94Å; L405-E408 PolarHBondContact O-N 3.45Å; E408-R411 WeakPolarHBondContact O-CB 3.49Å; E408-R411 PolarHBondContact O-N 3.31Å; E408-R411 IonicContact OE1-CZ 3.47Å; E408-R411 IonicContact OE1-NE 3.52Å; E408-R411 IonicContact OE1-NH2 2.69Å; E408-R411 PolarHBondContact OE1-NH2 3.22Å; E408-R411 IonicContact OE2-CZ 3.8Å; E408-R411 IonicContact OE2-NE 3.36Å; E408-R411 IonicContact OE2-NH2 3.54Å; E408-V412 HydrophobicContact CG-CG2 4.42Å; E408-V412 WeakPolarHBondContact O-CG2 3.39Å; E408-V412 PolarHBondContact O-N 2.85Å
409M85.3Confident86.7Confident93 Ų9395.8 Ų95.846%0.45849%0.489SS..Hα-helixtrans-64.4-39.6174.7-69.6-156.695.900112.4L405 R406 R411 V412 Y413L405-M409 WeakPolarHBondContact O-CG 3.43Å; L405-M409 PolarHBondContact O-N 3.5Å; R406-M409 PolarHBondContact O-N 3.13Å; M409-R411 VanDerWaalsContact C-N 3.28Å; M409-R411 PolarHBondContact O-N 3.43Å; M409-V412 PolarHBondContact O-N 2.89Å; M409-Y413 HydrophobicContact CE-CD2 4.16Å; M409-Y413 HydrophobicContact CE-CE2 3.62Å; M409-Y413 WeakPolarHBondContact O-CB 3.45Å; M409-Y413 WeakPolarHBondContact O-CD2 3.23Å; M409-Y413 PolarHBondContact O-N 3.44Å
410L84.6Confident86.2Confident54 Ų5499.3 Ų99.328%0.28350%0.495SS..Hα-helixtrans-59.8-41.2173.7-70.1171.1000110.9R406 E407 N414 L415R406-L410 VanDerWaalsContact O-CG 3.3Å; R406-L410 WeakPolarHBondContact O-CG 3.4Å; R406-L410 PolarHBondContact O-N 2.84Å; E407-L410 WeakPolarHBondContact O-CB 3.42Å; E407-L410 PolarHBondContact O-N 2.89Å; L410-N414 PolarHBondContact O-N 3.46Å; L410-L415 HydrophobicContact CD2-CB 3.83Å; L410-L415 WeakPolarHBondContact CD2-O 3.36Å; L410-L415 PolarHBondContact O-N 3.34Å
411R83.4Confident85.5Confident173 Ų17399.8 Ų99.865%0.65349%0.493SS*.Hα-helixtrans-69.2-45.1178.6-166.6-175.273.8146.71.1113.2E407 E408 M409E407-R411 WeakPolarHBondContact O-CB 3.4Å; E407-R411 PolarHBondContact O-N 3.24Å; E408-R411 WeakPolarHBondContact O-CB 3.49Å; E408-R411 PolarHBondContact O-N 3.31Å; E408-R411 IonicContact OE1-CZ 3.47Å; E408-R411 IonicContact OE1-NE 3.52Å; E408-R411 IonicContact OE1-NH2 2.69Å; E408-R411 PolarHBondContact OE1-NH2 3.22Å; E408-R411 IonicContact OE2-CZ 3.8Å; E408-R411 IonicContact OE2-NE 3.36Å; E408-R411 IonicContact OE2-NH2 3.54Å; M409-R411 VanDerWaalsContact C-N 3.28Å; M409-R411 PolarHBondContact O-N 3.43Å
412V86.2Confident85.1Confident86 Ų86100 Ų10052%0.52149%0.488SS..Hα-helixtrans-73.1-40.6-175.71710000112.2E408 M409E408-V412 HydrophobicContact CG-CG2 4.42Å; E408-V412 WeakPolarHBondContact O-CG2 3.39Å; E408-V412 PolarHBondContact O-N 2.85Å; M409-V412 PolarHBondContact O-N 2.89Å
413Y82.4Confident84.6Confident150 Ų150104.2 Ų104.259%0.58850%0.502SS*.THydrogen-bonded Turntrans-96.16.4-175.4-69-82.8000113.9M409 L415M409-Y413 HydrophobicContact CE-CD2 4.16Å; M409-Y413 HydrophobicContact CE-CE2 3.62Å; M409-Y413 WeakPolarHBondContact O-CB 3.45Å; M409-Y413 WeakPolarHBondContact O-CD2 3.23Å; M409-Y413 PolarHBondContact O-N 3.44Å; Y413-L415 PolarHBondContact O-N 2.88Å; Y413-L415 VanDerWaalsContact O-N 3.17Å
414N74.7Confident84.1Confident148 Ų148105.7 Ų105.779%0.79151%0.507SS*.THydrogen-bonded Turntrans48.638.9-173.9-66.8-43.2000112.6L410L410-N414 PolarHBondContact O-N 3.46Å
415L76.6Confident83.4Confident88 Ų88105.9 Ų105.946%0.46151%0.505SS..PPolyproline II helixtrans-82.9133.3179-66169.1000108.7L410 Y413 S417L410-L415 HydrophobicContact CD2-CB 3.83Å; L410-L415 WeakPolarHBondContact CD2-O 3.36Å; L410-L415 PolarHBondContact O-N 3.34Å; Y413-L415 PolarHBondContact O-N 2.88Å; Y413-L415 VanDerWaalsContact O-N 3.17Å; L415-S417 PolarHBondContact O-N 2.82Å
416D78.4Confident83Confident65 Ų65103.5 Ų103.535%0.34850%0.496SS..PPolyproline II helixtrans-62.1131.3171.7-76-32000109.7K420 K421 K424D416-K420 HydrophobicContact CB-CB 4.23Å; D416-K421 HydrophobicContact CB-CD 4.35Å; D416-K421 HydrophobicContact CB-CG 3.52Å; D416-K421 WeakPolarHBondContact O-CE 3.33Å; D416-K424 IonicContact OD2-NZ 3.42Å
417S80.8Confident82.6Confident39 Ų39100.9 Ų100.927%0.27349%0.493SS..PPolyproline II helixtrans-52.6149.4169.1175.70000109.8L415 D419 K420 K421L415-S417 PolarHBondContact O-N 2.82Å; S417-D419 PolarHBondContact O-N 3.46Å; S417-K420 CarbonylContact O-C 3.56Å; S417-K420 WeakPolarHBondContact O-CA 3.4Å; S417-K420 WeakPolarHBondContact O-CB 3.33Å; S417-K420 PolarHBondContact O-N 3.39Å; S417-K421 PolarHBondContact O-N 3.31Å
418F79.4Confident82Confident153 Ų15398.6 Ų98.667%0.67148%0.483SS*.Hα-helixtrans-52-44.5177.9-179.3-99.8000111.2K420 K421 V422F418-K420 VanDerWaalsContact C-N 3.31Å; F418-K420 PolarHBondContact O-N 2.94Å; F418-K421 PolarHBondContact O-N 3.02Å; F418-K421 VanDerWaalsContact O-N 3.13Å; F418-V422 HydrophobicContact CD1-CG2 3.89Å; F418-V422 HydrophobicContact CD2-CG2 4.49Å; F418-V422 HydrophobicContact CE1-CG2 3.49Å; F418-V422 VanDerWaalsContact CE1-CG2 3.49Å; F418-V422 HydrophobicContact CE2-CG2 4.15Å; F418-V422 HydrophobicContact CG-CG2 4.38Å; F418-V422 HydrophobicContact CZ-CG2 3.63Å; F418-V422 WeakPolarHBondContact O-CB 3.42Å; F418-V422 VanDerWaalsContact O-CG2 3.31Å; F418-V422 WeakPolarHBondContact O-CG2 3.3Å; F418-V422 PolarHBondContact O-N 3.29Å
419D83.6Confident81.3Confident103 Ų10399.5 Ų99.555%0.55149%0.491SS*.Hα-helixtrans-63.2-36.6177.5-63.7-27.7000112.5S417 V422 Q423S417-D419 PolarHBondContact O-N 3.46Å; D419-V422 PolarHBondContact O-N 3.36Å; D419-Q423 WeakPolarHBondContact O-CB 3.3Å; D419-Q423 VanDerWaalsContact O-CG 3.24Å; D419-Q423 WeakPolarHBondContact O-CG 3.49Å; D419-Q423 PolarHBondContact O-N 2.88Å
420K83.8Confident81Confident128 Ų128101.9 Ų101.956%0.55750%0.501SS*.Hα-helixtrans-68.4-40.4174-73.3-174.3178-179.10111.7D416 S417 F418 Q423 K424D416-K420 HydrophobicContact CB-CB 4.23Å; S417-K420 CarbonylContact O-C 3.56Å; S417-K420 WeakPolarHBondContact O-CA 3.4Å; S417-K420 WeakPolarHBondContact O-CB 3.33Å; S417-K420 PolarHBondContact O-N 3.39Å; F418-K420 VanDerWaalsContact C-N 3.31Å; F418-K420 PolarHBondContact O-N 2.94Å; K420-Q423 PolarHBondContact O-N 3.41Å; K420-K424 VanDerWaalsContact O-CB 3.23Å; K420-K424 WeakPolarHBondContact O-CB 3.47Å; K420-K424 PolarHBondContact O-N 2.99Å
421K83.3Confident80.1Confident103 Ų103105.8 Ų105.845%0.44852%0.519SS..Hα-helixtrans-64.4-42.7174.4-71.7-175.3-1791760111D416 S417 F418 K424 V425D416-K421 HydrophobicContact CB-CD 4.35Å; D416-K421 HydrophobicContact CB-CG 3.52Å; D416-K421 WeakPolarHBondContact O-CE 3.33Å; S417-K421 PolarHBondContact O-N 3.31Å; F418-K421 PolarHBondContact O-N 3.02Å; F418-K421 VanDerWaalsContact O-N 3.13Å; K421-K424 PolarHBondContact O-N 2.99Å; K421-V425 WeakPolarHBondContact O-CB 3.47Å; K421-V425 VanDerWaalsContact O-CG2 3.26Å; K421-V425 WeakPolarHBondContact O-CG2 3.3Å; K421-V425 PolarHBondContact O-N 3.37Å
422V85.9Confident79.1Confident62 Ų62100.6 Ų100.638%0.37652%0.52SS..Hα-helixtrans-60-54.1174.5170.60000109.3F418 D419 K424 V425 T426F418-V422 HydrophobicContact CD1-CG2 3.89Å; F418-V422 HydrophobicContact CD2-CG2 4.49Å; F418-V422 HydrophobicContact CE1-CG2 3.49Å; F418-V422 VanDerWaalsContact CE1-CG2 3.49Å; F418-V422 HydrophobicContact CE2-CG2 4.15Å; F418-V422 HydrophobicContact CG-CG2 4.38Å; F418-V422 HydrophobicContact CZ-CG2 3.63Å; F418-V422 WeakPolarHBondContact O-CB 3.42Å; F418-V422 VanDerWaalsContact O-CG2 3.31Å; F418-V422 WeakPolarHBondContact O-CG2 3.3Å; F418-V422 PolarHBondContact O-N 3.29Å; D419-V422 PolarHBondContact O-N 3.36Å; V422-K424 VanDerWaalsContact C-N 3.29Å; V422-K424 PolarHBondContact O-N 2.85Å; V422-V425 CarbonylContact O-C 3.57Å; V422-V425 WeakPolarHBondContact O-CB 3.34Å; V422-V425 PolarHBondContact O-N 3.16Å; V422-T426 PolarHBondContact O-N 3.4Å; V422-T426 PolarHBondContact O-OG1 3.32Å
423Q85.2Confident77.9Confident122 Ų122102.6 Ų102.657%0.5753%0.527SS*.Hα-helixtrans-55.2-42.5176-7517317.100112.3D419 K420 T426 L427D419-Q423 WeakPolarHBondContact O-CB 3.3Å; D419-Q423 VanDerWaalsContact O-CG 3.24Å; D419-Q423 WeakPolarHBondContact O-CG 3.49Å; D419-Q423 PolarHBondContact O-N 2.88Å; K420-Q423 PolarHBondContact O-N 3.41Å; Q423-T426 PolarHBondContact O-N 2.86Å; Q423-L427 WeakPolarHBondContact O-CB 3.48Å; Q423-L427 WeakPolarHBondContact O-CD1 3.41Å; Q423-L427 PolarHBondContact O-N 3.17Å
424K81.4Confident76.4Confident116 Ų116101.6 Ų101.650%0.50453%0.531SS..Hα-helixtrans-63.7-41176.8-170.5177.1-175.2175.80111.8D416 K420 K421 V422 L427 I428D416-K424 IonicContact OD2-NZ 3.42Å; K420-K424 VanDerWaalsContact O-CB 3.23Å; K420-K424 WeakPolarHBondContact O-CB 3.47Å; K420-K424 PolarHBondContact O-N 2.99Å; K421-K424 PolarHBondContact O-N 2.99Å; V422-K424 VanDerWaalsContact C-N 3.29Å; V422-K424 PolarHBondContact O-N 2.85Å; K424-L427 PolarHBondContact O-N 3.17Å; K424-I428 HydrophobicContact CG-CD1 3.99Å; K424-I428 WeakPolarHBondContact O-CB 3.5Å; K424-I428 WeakPolarHBondContact O-CD1 3.37Å; K424-I428 WeakPolarHBondContact O-CG1 3.5Å; K424-I428 PolarHBondContact O-N 3.06Å
425V79.1Confident75.2Confident79 Ų7998 Ų9848%0.47953%0.529SS..Hα-helixtrans-66.4-41.7173.7170.60000110.8K421 V422 I428 N429K421-V425 WeakPolarHBondContact O-CB 3.47Å; K421-V425 VanDerWaalsContact O-CG2 3.26Å; K421-V425 WeakPolarHBondContact O-CG2 3.3Å; K421-V425 PolarHBondContact O-N 3.37Å; V422-V425 CarbonylContact O-C 3.57Å; V422-V425 WeakPolarHBondContact O-CB 3.34Å; V422-V425 PolarHBondContact O-N 3.16Å; V425-I428 PolarHBondContact O-N 2.85Å; V425-N429 WeakPolarHBondContact O-CB 3.49Å; V425-N429 VanDerWaalsContact O-CG 3.26Å; V425-N429 PolarHBondContact O-N 3.44Å; V425-N429 PolarHBondContact O-ND2 2.95Å
426T83.2Confident73.7Confident64 Ų64103.5 Ų103.539%0.39355%0.549SS..Hα-helixtrans-60.9-47.2174.8-37.50000110.6V422 Q423 N429 E430V422-T426 PolarHBondContact O-N 3.4Å; V422-T426 PolarHBondContact O-OG1 3.32Å; Q423-T426 PolarHBondContact O-N 2.86Å; T426-N429 WeakPolarHBondContact O-CB 3.47Å; T426-N429 PolarHBondContact O-N 3.27Å; T426-E430 WeakPolarHBondContact O-CB 3.43Å; T426-E430 VanDerWaalsContact O-CG 3.26Å; T426-E430 WeakPolarHBondContact O-CG 3.36Å; T426-E430 PolarHBondContact O-N 3.41Å
427L79.9Confident71.7Confident96 Ų96113.4 Ų113.450%0.50359%0.594SS.*Hα-helixtrans-62.3-41.5175.3-91.8145.1000112.9Q423 K424 N429 E430 M431Q423-L427 WeakPolarHBondContact O-CB 3.48Å; Q423-L427 WeakPolarHBondContact O-CD1 3.41Å; Q423-L427 PolarHBondContact O-N 3.17Å; K424-L427 PolarHBondContact O-N 3.17Å; L427-N429 VanDerWaalsContact C-N 3.33Å; L427-E430 PolarHBondContact O-N 3.29Å; L427-M431 VanDerWaalsContact O-CB 3.28Å; L427-M431 WeakPolarHBondContact O-CB 3.33Å; L427-M431 WeakPolarHBondContact O-CG 3.34Å; L427-M431 PolarHBondContact O-N 2.86Å
428I75.3Confident71.2Confident66 Ų66117.1 Ų117.134%0.33861%0.61SS.*Hα-helixtrans-63.1-42.4175.7-73.4163.8000110.4K424 V425 M431 G432K424-I428 HydrophobicContact CG-CD1 3.99Å; K424-I428 WeakPolarHBondContact O-CB 3.5Å; K424-I428 WeakPolarHBondContact O-CD1 3.37Å; K424-I428 WeakPolarHBondContact O-CG1 3.5Å; K424-I428 PolarHBondContact O-N 3.06Å; V425-I428 PolarHBondContact O-N 2.85Å; I428-M431 PolarHBondContact O-N 3.5Å; I428-G432 PolarHBondContact O-N 3.22Å
429N75.5Confident70.8Confident102 Ų102115.2 Ų115.255%0.54561%0.606SS.*Hα-helixtrans-65.7-38.6175.4-74.5-20.6000111.9V425 T426 L427V425-N429 WeakPolarHBondContact O-CB 3.49Å; V425-N429 VanDerWaalsContact O-CG 3.26Å; V425-N429 PolarHBondContact O-N 3.44Å; V425-N429 PolarHBondContact O-ND2 2.95Å; T426-N429 WeakPolarHBondContact O-CB 3.47Å; T426-N429 PolarHBondContact O-N 3.27Å; L427-N429 VanDerWaalsContact C-N 3.33Å
430E78.2Confident70.1Confident143 Ų143115.9 Ų115.967%0.66861%0.609SS**Hα-helixtrans-70.3-34.9177.2-74.7170.3-173.400112.9T426 L427 G432T426-E430 WeakPolarHBondContact O-CB 3.43Å; T426-E430 VanDerWaalsContact O-CG 3.26Å; T426-E430 WeakPolarHBondContact O-CG 3.36Å; T426-E430 PolarHBondContact O-N 3.41Å; L427-E430 PolarHBondContact O-N 3.29Å; E430-G432 VanDerWaalsContact C-N 3.35Å
431M66.1Low69.3Low136 Ų136115.2 Ų115.267%0.6761%0.613SS**THydrogen-bonded Turntrans-86.90.6-177.9-68-85.8-78.300113.8L427 I428 L433L427-M431 VanDerWaalsContact O-CB 3.28Å; L427-M431 WeakPolarHBondContact O-CB 3.33Å; L427-M431 WeakPolarHBondContact O-CG 3.34Å; L427-M431 PolarHBondContact O-N 2.86Å; I428-M431 PolarHBondContact O-N 3.5Å; M431-L433 HydrophobicContact CB-CD1 4.44Å; M431-L433 HydrophobicContact CB-CG 4.48Å; M431-L433 PolarHBondContact O-N 2.88Å
432G62.4Low68.4Low64 Ų64115.9 Ų115.966%0.6662%0.623SS**THydrogen-bonded Turntrans65.817.6174.700000115.3I428 E430 N434I428-G432 PolarHBondContact O-N 3.22Å; E430-G432 VanDerWaalsContact C-N 3.35Å; G432-N434 VanDerWaalsContact C-N 3.3Å; G432-N434 PolarHBondContact O-N 2.93Å; G432-N434 VanDerWaalsContact O-N 3.12Å
433L60Low67.2Low127 Ų127119.5 Ų119.567%0.66564%0.639SS**  trans-88.558-177.8-68.8172.3000111.9M431 G435M431-L433 HydrophobicContact CB-CD1 4.44Å; M431-L433 HydrophobicContact CB-CG 4.48Å; M431-L433 PolarHBondContact O-N 2.88Å; L433-G435 PolarHBondContact O-N 2.69Å
434N52.5Low65.9Low129 Ų129119.4 Ų119.469%0.6964%0.644SS**  trans-97.173.5168.3-81.8-12.6000110G432G432-N434 VanDerWaalsContact C-N 3.3Å; G432-N434 PolarHBondContact O-N 2.93Å; G432-N434 VanDerWaalsContact O-N 3.12Å
435G49.8Very low64.7Low72 Ų72119.6 Ų119.674%0.74266%0.655SS**  trans-103.690175.300000112.3L433L433-G435 PolarHBondContact O-N 2.69Å
436K44.4Very low63.6Low204 Ų204123 Ų12389%0.88767%0.67SS**  trans33.2101.7149.6-62179.9179.3179.20118.3
437Q35.4Very low61.8Low273 Ų273128.4 Ų128.4100%1.27670%0.695SS**  -162.30121.6-10617911.800110.4

Retrieved 437 of 437 residues in 132.8 ms (Link to these results)