A0A087XSX7_POEFO Loading...

Leukocyte receptor cluster (LRC) member 1

AlphaFold DB , UniProt , Accession A0A087XSX7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 274 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
1M82.9Confident90.3Very high230 Ų230111.7 Ų111.7100%1.13357%0.568SS**  0131.20-87.4-171.6-170.800109.6
2N85.3Confident90.5Very high127 Ų127119.6 Ų119.668%0.67959%0.586SS**  trans-87.4113.1175.2-163.2-8.3000110.4L4N2-L4 WeakPolarHBondContact OD1-CB 3.39Å; N2-L4 PolarHBondContact OD1-N 3.43Å
3I91.2Very high90.8Very high97 Ų97113.1 Ų113.150%0.49756%0.555SS.*  trans-97.5-7.7-177.755.7169.7000112.8P5 K6I3-P5 VanDerWaalsContact C-CD 3.49Å; I3-K6 PolarHBondContact O-N 3.37Å
4L89.4Confident91Very high63 Ų63117.9 Ų117.933%0.3357%0.571SS.*G310 helixtrans-59-43-175.5-148.271.9000113.5N2 K6 K7 W9 H10N2-L4 WeakPolarHBondContact OD1-CB 3.39Å; N2-L4 PolarHBondContact OD1-N 3.43Å; L4-K6 PolarHBondContact O-N 3.49Å; L4-K6 VanDerWaalsContact O-N 3.15Å; L4-K7 PolarHBondContact O-N 3.43Å; L4-K7 VanDerWaalsContact O-N 3.09Å; L4-W9 HydrophobicContact CD1-CH2 3.52Å; L4-W9 HydrophobicContact CD1-CZ2 4.22Å; L4-W9 HydrophobicContact CD1-CZ3 4.08Å; L4-H10 WeakPolarHBondContact CD2-CE1 3.44Å; L4-H10 WeakPolarHBondContact O-CB 3.48Å
5P91.7Very high91.2Very high67 Ų67118.2 Ų118.244%0.43558%0.577SS.*G310 helixtrans-63.9-22.2179.6-21.834.1000113.9I3 K7 N13I3-P5 VanDerWaalsContact C-CD 3.49Å; P5-K7 VanDerWaalsContact C-N 3.29Å; P5-N13 PolarHBondContact O-ND2 3.48Å; P5-N13 PolarHBondContact O-OD1 3.26Å
6K90.1Very high91.4Very high179 Ų179112.1 Ų112.178%0.77855%0.548SS*.G310 helixtrans-83.6-6.2-179.9-58.8-177.2-178.9179.90112.9I3 L4I3-K6 PolarHBondContact O-N 3.37Å; L4-K6 PolarHBondContact O-N 3.49Å; L4-K6 VanDerWaalsContact O-N 3.15Å
7K92.4Very high91.6Very high74 Ų74107.9 Ų107.932%0.32253%0.53SS..SBendtrans-92.4132.5-179.5-60.8-176.7-177.8-177.40109.6L4 P5 W9 H10 N13L4-K7 PolarHBondContact O-N 3.43Å; L4-K7 VanDerWaalsContact O-N 3.09Å; P5-K7 VanDerWaalsContact C-N 3.29Å; K7-W9 HydrophobicContact CB-CD2 4.29Å; K7-W9 HydrophobicContact CB-CG 4.39Å; K7-W9 HydrophobicContact CB-CZ2 4.4Å; K7-W9 HydrophobicContact CD-CH2 4.23Å; K7-W9 HydrophobicContact CD-CZ2 3.28Å; K7-W9 HydrophobicContact CG-CZ2 4.46Å; K7-W9 PolarHBondContact O-N 3.27Å; K7-H10 WeakPolarHBondContact O-CB 3.32Å; K7-H10 PolarHBondContact O-N 3.24Å; K7-H10 VanDerWaalsContact O-N 3.12Å; K7-N13 PolarHBondContact O-ND2 3.48Å
8S88.9Confident91.7Very high100 Ų100104.9 Ų104.970%0.69953%0.526SS*.THydrogen-bonded Turntrans-63.1-21.8-17952.10000114.2N16S8-N16 PolarHBondContact O-ND2 2.95Å; S8-N16 PolarHBondContact O-OD1 3.08Å
9W92.8Very high91.9Very high158 Ų158107 Ų10760%0.59853%0.527SS*.THydrogen-bonded Turntrans-88.2-1.9177.657.1-102.3000113.9L4 K7 V11L4-W9 HydrophobicContact CD1-CH2 3.52Å; L4-W9 HydrophobicContact CD1-CZ2 4.22Å; L4-W9 HydrophobicContact CD1-CZ3 4.08Å; K7-W9 HydrophobicContact CB-CD2 4.29Å; K7-W9 HydrophobicContact CB-CG 4.39Å; K7-W9 HydrophobicContact CB-CZ2 4.4Å; K7-W9 HydrophobicContact CD-CH2 4.23Å; K7-W9 HydrophobicContact CD-CZ2 3.28Å; K7-W9 HydrophobicContact CG-CZ2 4.46Å; K7-W9 PolarHBondContact O-N 3.27Å; W9-V11 PolarHBondContact O-N 3.43Å; W9-V11 VanDerWaalsContact O-N 3.09Å
10H95.3Very high92.1Very high23 Ų23105.3 Ų105.311%0.10652%0.522CS..  trans-65117.4-176.5-174.845.6000111L4 K7 R12 N13 N16L4-H10 WeakPolarHBondContact CD2-CE1 3.44Å; L4-H10 WeakPolarHBondContact O-CB 3.48Å; K7-H10 WeakPolarHBondContact O-CB 3.32Å; K7-H10 PolarHBondContact O-N 3.24Å; K7-H10 VanDerWaalsContact O-N 3.12Å; H10-R12 PolarHBondContact O-N 3.26Å; H10-R12 VanDerWaalsContact O-N 3.16Å; H10-N13 PolarHBondContact CD2-OD1 3.46Å; H10-N13 VanDerWaalsContact O-CB 3.32Å; H10-N13 WeakPolarHBondContact O-CB 3.48Å; H10-N13 PolarHBondContact O-N 3.44Å; H10-N16 PolarHBondContact O-ND2 2.98Å
11V93Very high92.3Very high111 Ų111107.9 Ų107.967%0.67353%0.526SS*.THydrogen-bonded Turntrans-56.3-35.5-174-177.60000112.6W9 N13 V17W9-V11 PolarHBondContact O-N 3.43Å; W9-V11 VanDerWaalsContact O-N 3.09Å; V11-N13 VanDerWaalsContact C-N 3.31Å; V11-N13 PolarHBondContact O-N 3.47Å; V11-V17 VanDerWaalsContact O-CG2 3.27Å; V11-V17 WeakPolarHBondContact O-CG2 3.44Å
12R93.2Very high93Very high206 Ų206103.1 Ų103.178%0.77750%0.499SS*.THydrogen-bonded Turntrans-84.1-1.7-178.3-64.4173.2161.785.8-1.4113.7H10 K14H10-R12 PolarHBondContact O-N 3.26Å; H10-R12 VanDerWaalsContact O-N 3.16Å; R12-K14 PolarHBondContact O-N 3.24Å
13N94.4Very high93.5Very high35 Ų35101 Ų10119%0.18749%0.488CS..SBendtrans-64.6133.7172.9-81.5-5.8000109.8P5 K7 H10 V11 D15 N16 V17P5-N13 PolarHBondContact O-ND2 3.48Å; P5-N13 PolarHBondContact O-OD1 3.26Å; K7-N13 PolarHBondContact O-ND2 3.48Å; H10-N13 PolarHBondContact CD2-OD1 3.46Å; H10-N13 VanDerWaalsContact O-CB 3.32Å; H10-N13 WeakPolarHBondContact O-CB 3.48Å; H10-N13 PolarHBondContact O-N 3.44Å; V11-N13 VanDerWaalsContact C-N 3.31Å; V11-N13 PolarHBondContact O-N 3.47Å; N13-D15 PolarHBondContact O-N 3.35Å; N13-D15 VanDerWaalsContact O-N 3.1Å; N13-N16 PolarHBondContact O-N 3.45Å; N13-V17 WeakPolarHBondContact O-CG2 3.41Å; N13-V17 PolarHBondContact O-N 3.04Å
14K94.2Very high93.7Very high180 Ų180102.1 Ų102.178%0.78349%0.491SS*.Hα-helixtrans-52.4-39-176-64.9-180-179.9-179.10112.2R12 V17 A18R12-K14 PolarHBondContact O-N 3.24Å; K14-V17 PolarHBondContact O-N 3.49Å; K14-A18 VanDerWaalsContact O-CB 3.31Å; K14-A18 WeakPolarHBondContact O-CB 3.43Å; K14-A18 PolarHBondContact O-N 3.26Å
15D93.9Very high93.9Very high123 Ų123101.5 Ų101.566%0.65850%0.495SS*.Hα-helixtrans-67.6-36.7179.9-54.4-24.4000112.6N13 R19N13-D15 PolarHBondContact O-N 3.35Å; N13-D15 VanDerWaalsContact O-N 3.1Å; D15-R19 PolarHBondContact O-N 3.24Å
16N93.4Very high94.1Very high21 Ų21102.5 Ų102.511%0.11249%0.493CS..Hα-helixtrans-73.9-41.4176.5-71.8-23000111.1S8 H10 N13 A18 R19 V20S8-N16 PolarHBondContact O-ND2 2.95Å; S8-N16 PolarHBondContact O-OD1 3.08Å; H10-N16 PolarHBondContact O-ND2 2.98Å; N13-N16 PolarHBondContact O-N 3.45Å; N16-A18 VanDerWaalsContact C-N 3.28Å; N16-A18 PolarHBondContact O-N 3.34Å; N16-R19 PolarHBondContact O-N 3.36Å; N16-R19 PolarHBondContact OD1-NH1 3.39Å; N16-V20 WeakPolarHBondContact O-CG2 3.35Å; N16-V20 PolarHBondContact O-N 2.92Å
17V94.4Very high94.3Very high41 Ų4196.7 Ų96.725%0.24848%0.479CS..Hα-helixtrans-62.5-38.8174.6-173.80000110.6V11 N13 K14 V20 R21V11-V17 VanDerWaalsContact O-CG2 3.27Å; V11-V17 WeakPolarHBondContact O-CG2 3.44Å; N13-V17 WeakPolarHBondContact O-CG2 3.41Å; N13-V17 PolarHBondContact O-N 3.04Å; K14-V17 PolarHBondContact O-N 3.49Å; V17-V20 PolarHBondContact O-N 3.03Å; V17-R21 VanDerWaalsContact CG1-CZ 3.4Å; V17-R21 WeakPolarHBondContact O-CB 3.18Å; V17-R21 WeakPolarHBondContact O-CG 3.25Å; V17-R21 PolarHBondContact O-N 3.49Å
18A94.4Very high94.4Very high54 Ų5495 Ų9545%0.44648%0.479SS..Hα-helixtrans-65.2-38.7175.200000112.4K14 N16 R21 K22K14-A18 VanDerWaalsContact O-CB 3.31Å; K14-A18 WeakPolarHBondContact O-CB 3.43Å; K14-A18 PolarHBondContact O-N 3.26Å; N16-A18 VanDerWaalsContact C-N 3.28Å; N16-A18 PolarHBondContact O-N 3.34Å; A18-R21 PolarHBondContact O-N 2.65Å; A18-K22 PolarHBondContact O-N 3.33Å
19R95.3Very high94.6Very high144 Ų14495.9 Ų95.954%0.54347%0.472SS..Hα-helixtrans-62.9-49.7174.4-167.1-177.7-59.8120.17.3111.4D15 N16 R21 K22 D23D15-R19 PolarHBondContact O-N 3.24Å; N16-R19 PolarHBondContact O-N 3.36Å; N16-R19 PolarHBondContact OD1-NH1 3.39Å; R19-R21 VanDerWaalsContact C-N 3.33Å; R19-R21 PolarHBondContact O-N 2.81Å; R19-K22 WeakPolarHBondContact O-CB 3.38Å; R19-K22 PolarHBondContact O-N 3.31Å; R19-D23 VanDerWaalsContact O-CG 3.24Å; R19-D23 PolarHBondContact O-N 3.38Å
20V96.4Very high94.6Very high72 Ų7294.8 Ų94.844%0.43647%0.473SS..Hα-helixtrans-56.9-46.3176.7172.10000111.2N16 V17 K22 D23 E24N16-V20 WeakPolarHBondContact O-CG2 3.35Å; N16-V20 PolarHBondContact O-N 2.92Å; V17-V20 PolarHBondContact O-N 3.03Å; V20-K22 VanDerWaalsContact C-N 3.28Å; V20-K22 PolarHBondContact O-N 3.44Å; V20-D23 PolarHBondContact O-N 3.12Å; V20-E24 HydrophobicContact CG1-CG 4.2Å; V20-E24 WeakPolarHBondContact CG1-OE1 2.95Å; V20-E24 WeakPolarHBondContact O-CB 3.34Å; V20-E24 VanDerWaalsContact O-CG 3.27Å; V20-E24 WeakPolarHBondContact O-CG 3.46Å; V20-E24 PolarHBondContact O-N 2.92Å
21R96.7Very high94.6Very high160 Ų16098.8 Ų98.860%0.60449%0.492SS*.Hα-helixtrans-61.2-36176.6-76.5-176.4-177.2119.83.3113.4V17 A18 R19 A25V17-R21 VanDerWaalsContact CG1-CZ 3.4Å; V17-R21 WeakPolarHBondContact O-CB 3.18Å; V17-R21 WeakPolarHBondContact O-CG 3.25Å; V17-R21 PolarHBondContact O-N 3.49Å; A18-R21 PolarHBondContact O-N 2.65Å; R19-R21 VanDerWaalsContact C-N 3.33Å; R19-R21 PolarHBondContact O-N 2.81Å; R21-A25 WeakPolarHBondContact O-CB 3.38Å; R21-A25 PolarHBondContact O-N 3.33Å
22K96.1Very high94.6Very high131 Ų131101.6 Ų101.657%0.5749%0.491SS*.Hα-helixtrans-67.5-46.2176.7-172.2-176177.3-174.10110.4A18 R19 V20 A25 Q26A18-K22 PolarHBondContact O-N 3.33Å; R19-K22 WeakPolarHBondContact O-CB 3.38Å; R19-K22 PolarHBondContact O-N 3.31Å; V20-K22 VanDerWaalsContact C-N 3.28Å; V20-K22 PolarHBondContact O-N 3.44Å; K22-A25 PolarHBondContact O-N 3.15Å; K22-Q26 WeakPolarHBondContact O-CB 3.36Å; K22-Q26 WeakPolarHBondContact O-CG 3.07Å; K22-Q26 PolarHBondContact O-N 3.44Å
23D97.1Very high94.7Very high83 Ų8397.6 Ų97.644%0.44448%0.481SS..Hα-helixtrans-65.2-41.1179.9-58.4-19.8000110.8R19 V20 Q26 A27R19-D23 VanDerWaalsContact O-CG 3.24Å; R19-D23 PolarHBondContact O-N 3.38Å; V20-D23 PolarHBondContact O-N 3.12Å; D23-Q26 PolarHBondContact O-N 2.89Å; D23-A27 WeakPolarHBondContact O-CB 3.44Å; D23-A27 PolarHBondContact O-N 3.34Å
24E94.6Very high94.7Very high120 Ų12098.2 Ų98.256%0.56149%0.491SS*.Hα-helixtrans-62.2-42.6172.9-73.8172.6173.300112.1V20 A27 A28V20-E24 HydrophobicContact CG1-CG 4.2Å; V20-E24 WeakPolarHBondContact CG1-OE1 2.95Å; V20-E24 WeakPolarHBondContact O-CB 3.34Å; V20-E24 VanDerWaalsContact O-CG 3.27Å; V20-E24 WeakPolarHBondContact O-CG 3.46Å; V20-E24 PolarHBondContact O-N 2.92Å; E24-A27 PolarHBondContact O-N 3.07Å; E24-A28 WeakPolarHBondContact O-CB 3.32Å; E24-A28 PolarHBondContact O-N 3.1Å
25A94.4Very high94.8Very high49 Ų4994.9 Ų94.941%0.40548%0.476SS..Hα-helixtrans-65.2-42.4176.700000111.7R21 K22 A28 E29R21-A25 WeakPolarHBondContact O-CB 3.38Å; R21-A25 PolarHBondContact O-N 3.33Å; K22-A25 PolarHBondContact O-N 3.15Å; A25-A28 PolarHBondContact O-N 3.37Å; A25-E29 WeakPolarHBondContact O-CG 3.37Å; A25-E29 PolarHBondContact O-N 3.16Å
26Q94.6Very high95Very high88 Ų8898 Ų9841%0.41148%0.478SS..Hα-helixtrans-63.1-45.6175.9-73.7-176.7-52.200111.5K22 D23 A28 E29 E30K22-Q26 WeakPolarHBondContact O-CB 3.36Å; K22-Q26 WeakPolarHBondContact O-CG 3.07Å; K22-Q26 PolarHBondContact O-N 3.44Å; D23-Q26 PolarHBondContact O-N 2.89Å; Q26-A28 VanDerWaalsContact C-N 3.29Å; Q26-A28 PolarHBondContact O-N 3.1Å; Q26-E29 PolarHBondContact O-N 3.41Å; Q26-E30 WeakPolarHBondContact O-CG 3.38Å; Q26-E30 PolarHBondContact O-N 3.46Å
27A94.4Very high95.1Very high57 Ų57105.2 Ų105.247%0.47150%0.504SS..Hα-helixtrans-60-40.6175.500000112D23 E24 E31D23-A27 WeakPolarHBondContact O-CB 3.44Å; D23-A27 PolarHBondContact O-N 3.34Å; E24-A27 PolarHBondContact O-N 3.07Å; A27-E31 WeakPolarHBondContact O-CB 3.47Å; A27-E31 PolarHBondContact O-N 2.89Å
28A94.8Very high95.2Very high39 Ų39107.6 Ų107.632%0.32252%0.519SS..Hα-helixtrans-67.9-35.617700000113E24 A25 Q26 R32E24-A28 WeakPolarHBondContact O-CB 3.32Å; E24-A28 PolarHBondContact O-N 3.1Å; A25-A28 PolarHBondContact O-N 3.37Å; Q26-A28 VanDerWaalsContact C-N 3.29Å; Q26-A28 PolarHBondContact O-N 3.1Å; A28-R32 WeakPolarHBondContact O-CD 3.37Å; A28-R32 VanDerWaalsContact O-CG 3.23Å; A28-R32 WeakPolarHBondContact O-CG 3.43Å; A28-R32 PolarHBondContact O-N 3.33Å
29E92.4Very high95.3Very high119 Ų119108.9 Ų108.956%0.55652%0.518SS*.Hα-helixtrans-67.6-47174.4-76.2178.7172.600111.5A25 Q26 E31 R32 E33A25-E29 WeakPolarHBondContact O-CG 3.37Å; A25-E29 PolarHBondContact O-N 3.16Å; Q26-E29 PolarHBondContact O-N 3.41Å; E29-E31 VanDerWaalsContact C-N 3.33Å; E29-E31 PolarHBondContact O-N 3.47Å; E29-R32 WeakPolarHBondContact O-CB 3.44Å; E29-R32 PolarHBondContact O-N 3.3Å; E29-R32 VanDerWaalsContact O-N 3.15Å; E29-E33 PolarHBondContact O-N 3.26Å
30E94.3Very high95.3Very high134 Ų134109.9 Ų109.963%0.62652%0.522SS*.Hα-helixtrans-60-41.6177.2-72.1178.4-175.900112Q26 R32 E33 A34Q26-E30 WeakPolarHBondContact O-CG 3.38Å; Q26-E30 PolarHBondContact O-N 3.46Å; E30-R32 VanDerWaalsContact C-N 3.35Å; E30-R32 PolarHBondContact O-N 3.28Å; E30-E33 PolarHBondContact O-N 3Å; E30-A34 WeakPolarHBondContact O-CB 2.98Å; E30-A34 PolarHBondContact O-N 3.31Å
31E94Very high95.3Very high107 Ų107108.9 Ų108.950%0.552%0.521SS..Hα-helixtrans-64.6-38.7176.4-165.2-168.8162.500111.9A27 E29 A34 K35A27-E31 WeakPolarHBondContact O-CB 3.47Å; A27-E31 PolarHBondContact O-N 2.89Å; E29-E31 VanDerWaalsContact C-N 3.33Å; E29-E31 PolarHBondContact O-N 3.47Å; E31-A34 PolarHBondContact O-N 3.4Å; E31-K35 WeakPolarHBondContact O-CG 3.27Å; E31-K35 PolarHBondContact O-N 2.85Å; E31-K35 WeakPolarHBondContact OE1-CE 3.39Å; E31-K35 IonicContact OE1-NZ 2.69Å; E31-K35 PolarHBondContact OE1-NZ 2.89Å
32R94Very high95.4Very high171 Ų171107.5 Ų107.565%0.64552%0.522SS*.Hα-helixtrans-65.5-41.6175.5-74.7168.9178.6-178.20.2111.7A28 E29 E30 K35 R36A28-R32 WeakPolarHBondContact O-CD 3.37Å; A28-R32 VanDerWaalsContact O-CG 3.23Å; A28-R32 WeakPolarHBondContact O-CG 3.43Å; A28-R32 PolarHBondContact O-N 3.33Å; E29-R32 WeakPolarHBondContact O-CB 3.44Å; E29-R32 PolarHBondContact O-N 3.3Å; E29-R32 VanDerWaalsContact O-N 3.15Å; E30-R32 VanDerWaalsContact C-N 3.35Å; E30-R32 PolarHBondContact O-N 3.28Å; R32-K35 PolarHBondContact O-N 2.94Å; R32-R36 WeakPolarHBondContact O-CG 3.37Å; R32-R36 PolarHBondContact O-N 2.94Å
33E94.8Very high95.4Very high122 Ų122107.5 Ų107.557%0.5752%0.524SS*.Hα-helixtrans-66.7-39.8176.2-71.3-171.5174.200112.2E29 E30 R36 R37E29-E33 PolarHBondContact O-N 3.26Å; E30-E33 PolarHBondContact O-N 3Å; E33-R36 PolarHBondContact O-N 3.4Å; E33-R37 PolarHBondContact O-N 3.01Å
34A95.4Very high95.4Very high47 Ų47108.1 Ų108.139%0.38852%0.524SS..Hα-helixtrans-60.7-47.9174.400000111.3E30 E31 R36 R37 V38E30-A34 WeakPolarHBondContact O-CB 2.98Å; E30-A34 PolarHBondContact O-N 3.31Å; E31-A34 PolarHBondContact O-N 3.4Å; A34-R36 PolarHBondContact O-N 3.46Å; A34-R37 WeakPolarHBondContact O-CB 3.37Å; A34-R37 PolarHBondContact O-N 2.86Å; A34-R37 VanDerWaalsContact O-N 3.16Å; A34-V38 WeakPolarHBondContact O-CG2 3.36Å; A34-V38 PolarHBondContact O-N 3.48Å
35K96.2Very high95.5Very high110 Ų110105 Ų10548%0.47852%0.518SS..Hα-helixtrans-58.5-47.4175.3-74.4174.1-176.3169.90111.8E31 R32 R37 V38 D39E31-K35 WeakPolarHBondContact O-CG 3.27Å; E31-K35 PolarHBondContact O-N 2.85Å; E31-K35 WeakPolarHBondContact OE1-CE 3.39Å; E31-K35 IonicContact OE1-NZ 2.69Å; E31-K35 PolarHBondContact OE1-NZ 2.89Å; R32-K35 PolarHBondContact O-N 2.94Å; K35-R37 VanDerWaalsContact C-N 3.25Å; K35-R37 PolarHBondContact O-N 2.96Å; K35-V38 PolarHBondContact O-N 3.41Å; K35-D39 PolarHBondContact O-N 3.38Å
36R96.3Very high95.7Very high188 Ų188111.4 Ų111.471%0.70953%0.532SS*.Hα-helixtrans-56.6-38.6175.9-76.8177.5175.4-169.90.1113R32 E33 A34 R40R32-R36 WeakPolarHBondContact O-CG 3.37Å; R32-R36 PolarHBondContact O-N 2.94Å; E33-R36 PolarHBondContact O-N 3.4Å; A34-R36 PolarHBondContact O-N 3.46Å; R36-R40 WeakPolarHBondContact O-CB 3.34Å; R36-R40 PolarHBondContact O-N 3.46Å; R36-R40 VanDerWaalsContact O-N 3.08Å
37R95.6Very high95.7Very high174 Ų174110.5 Ų110.566%0.65753%0.533SS*.Hα-helixtrans-68.3-42.7176.9-175.4179.3-74.1106.9-2.8111.3E33 A34 K35 R40 A41E33-R37 PolarHBondContact O-N 3.01Å; A34-R37 WeakPolarHBondContact O-CB 3.37Å; A34-R37 PolarHBondContact O-N 2.86Å; A34-R37 VanDerWaalsContact O-N 3.16Å; K35-R37 VanDerWaalsContact C-N 3.25Å; K35-R37 PolarHBondContact O-N 2.96Å; R37-R40 PolarHBondContact O-N 3.21Å; R37-A41 WeakPolarHBondContact O-CB 3.31Å; R37-A41 PolarHBondContact O-N 3.46Å
38V97.6Very high95.8Very high91 Ų91114.2 Ų114.255%0.55254%0.54SS*.Hα-helixtrans-61.9-50.1175.7172.40000110.7A34 K35 R40 A41 E42A34-V38 WeakPolarHBondContact O-CG2 3.36Å; A34-V38 PolarHBondContact O-N 3.48Å; K35-V38 PolarHBondContact O-N 3.41Å; V38-R40 VanDerWaalsContact C-N 3.27Å; V38-R40 PolarHBondContact O-N 2.86Å; V38-A41 PolarHBondContact O-N 3.47Å; V38-A41 VanDerWaalsContact O-N 3.12Å; V38-E42 WeakPolarHBondContact O-CB 3.24Å; V38-E42 PolarHBondContact O-N 3.3Å
39D95.8Very high95.9Very high81 Ų81119.5 Ų119.543%0.43355%0.553SS.*Hα-helixtrans-59-41-179.9-61.8-18.6000111.3K35 E42 Q43K35-D39 PolarHBondContact O-N 3.38Å; D39-E42 PolarHBondContact O-N 3.36Å; D39-Q43 WeakPolarHBondContact O-CB 3.24Å; D39-Q43 VanDerWaalsContact O-CG 3.24Å; D39-Q43 WeakPolarHBondContact O-CG 3.49Å; D39-Q43 PolarHBondContact O-N 3.46Å
40R96.8Very high96.1Very high164 Ų164118.5 Ų118.562%0.61955%0.551SS**Hα-helixtrans-65.1-46.4176.1-177.2177.5179.4127.15.3111.7R36 R37 V38 E42 Q43 E44R36-R40 WeakPolarHBondContact O-CB 3.34Å; R36-R40 PolarHBondContact O-N 3.46Å; R36-R40 VanDerWaalsContact O-N 3.08Å; R37-R40 PolarHBondContact O-N 3.21Å; V38-R40 VanDerWaalsContact C-N 3.27Å; V38-R40 PolarHBondContact O-N 2.86Å; R40-E42 VanDerWaalsContact C-N 3.27Å; R40-E42 PolarHBondContact O-N 2.95Å; R40-Q43 PolarHBondContact O-N 2.92Å; R40-E44 HydrophobicContact CG-CG 4.47Å; R40-E44 WeakPolarHBondContact CG-OE1 3.33Å; R40-E44 IonicContact CZ-OE1 3.32Å; R40-E44 IonicContact NE-OE1 3.93Å; R40-E44 PolarHBondContact NE-OE1 3.36Å; R40-E44 IonicContact NH2-OE1 2.98Å; R40-E44 PolarHBondContact NH2-OE1 3.14Å; R40-E44 WeakPolarHBondContact O-CB 3.32Å; R40-E44 WeakPolarHBondContact O-CG 3.38Å; R40-E44 PolarHBondContact O-N 3.35Å
41A96.1Very high96.1Very high52 Ų52120.2 Ų120.243%0.4355%0.552SS.*Hα-helixtrans-62.2-38177.600000111.3R37 V38 E44 A45R37-A41 WeakPolarHBondContact O-CB 3.31Å; R37-A41 PolarHBondContact O-N 3.46Å; V38-A41 PolarHBondContact O-N 3.47Å; V38-A41 VanDerWaalsContact O-N 3.12Å; A41-E44 PolarHBondContact O-N 3.25Å; A41-A45 WeakPolarHBondContact O-CB 3.49Å; A41-A45 PolarHBondContact O-N 2.89Å
42E97.4Very high96.2Very high131 Ų131124.4 Ų124.461%0.61256%0.563SS**Hα-helixtrans-66-44.5175.5-173.4-179.8-17700111.8V38 D39 R40 A45 R46V38-E42 WeakPolarHBondContact O-CB 3.24Å; V38-E42 PolarHBondContact O-N 3.3Å; D39-E42 PolarHBondContact O-N 3.36Å; R40-E42 VanDerWaalsContact C-N 3.27Å; R40-E42 PolarHBondContact O-N 2.95Å; E42-A45 PolarHBondContact O-N 2.69Å; E42-R46 VanDerWaalsContact O-CB 3.27Å; E42-R46 WeakPolarHBondContact O-CB 3.42Å; E42-R46 PolarHBondContact O-N 3.29Å
43Q97.3Very high96.2Very high131 Ų131122.5 Ų122.561%0.61256%0.559SS**Hα-helixtrans-58.6-49.5174-73.9172.117.900111.1D39 R40 R46 T47D39-Q43 WeakPolarHBondContact O-CB 3.24Å; D39-Q43 VanDerWaalsContact O-CG 3.24Å; D39-Q43 WeakPolarHBondContact O-CG 3.49Å; D39-Q43 PolarHBondContact O-N 3.46Å; R40-Q43 PolarHBondContact O-N 2.92Å; Q43-R46 PolarHBondContact O-N 2.87Å; Q43-T47 VanDerWaalsContact O-CG2 3.3Å; Q43-T47 WeakPolarHBondContact O-CG2 3.45Å; Q43-T47 PolarHBondContact O-N 2.99Å; Q43-T47 PolarHBondContact O-OG1 3.34Å
44E96.6Very high96.2Very high96 Ų96119.7 Ų119.745%0.44955%0.553SS.*Hα-helixtrans-60.3-49.4178.6-72.4173.8-174.600110.7R40 A41 R46 T47 E48R40-E44 HydrophobicContact CG-CG 4.47Å; R40-E44 WeakPolarHBondContact CG-OE1 3.33Å; R40-E44 IonicContact CZ-OE1 3.32Å; R40-E44 IonicContact NE-OE1 3.93Å; R40-E44 PolarHBondContact NE-OE1 3.36Å; R40-E44 IonicContact NH2-OE1 2.98Å; R40-E44 PolarHBondContact NH2-OE1 3.14Å; R40-E44 WeakPolarHBondContact O-CB 3.32Å; R40-E44 WeakPolarHBondContact O-CG 3.38Å; R40-E44 PolarHBondContact O-N 3.35Å; A41-E44 PolarHBondContact O-N 3.25Å; E44-R46 PolarHBondContact O-N 3.28Å; E44-T47 PolarHBondContact O-N 3.44Å; E44-T47 PolarHBondContact O-OG1 3.01Å; E44-E48 WeakPolarHBondContact O-CB 3.44Å; E44-E48 PolarHBondContact O-N 2.92Å
45A97.2Very high96.1Very high53 Ų53125.7 Ų125.744%0.43857%0.566SS.*Hα-helixtrans-60-41.9177.700000112.7A41 E42 E48 Y49A41-A45 WeakPolarHBondContact O-CB 3.49Å; A41-A45 PolarHBondContact O-N 2.89Å; E42-A45 PolarHBondContact O-N 2.69Å; A45-E48 PolarHBondContact O-N 3.49Å; A45-Y49 WeakPolarHBondContact O-CB 3.47Å; A45-Y49 PolarHBondContact O-N 3.18Å
46R97.3Very high95.9Very high184 Ų184122.9 Ų122.969%0.69456%0.563SS**Hα-helixtrans-63.5-44.3176.4-177176.8178.2-179.5-0.3111.3E42 Q43 E44 Y49 L50E42-R46 VanDerWaalsContact O-CB 3.27Å; E42-R46 WeakPolarHBondContact O-CB 3.42Å; E42-R46 PolarHBondContact O-N 3.29Å; Q43-R46 PolarHBondContact O-N 2.87Å; E44-R46 PolarHBondContact O-N 3.28Å; R46-Y49 PolarHBondContact O-N 3.2Å; R46-L50 WeakPolarHBondContact O-CG 3.35Å; R46-L50 PolarHBondContact O-N 2.97Å; R46-L50 VanDerWaalsContact O-N 3.11Å
47T96.3Very high95.6Very high69 Ų69116.5 Ų116.542%0.42355%0.551SS.*Hα-helixtrans-66.6-40.3177.962.10000112Q43 E44 L50 R51Q43-T47 VanDerWaalsContact O-CG2 3.3Å; Q43-T47 WeakPolarHBondContact O-CG2 3.45Å; Q43-T47 PolarHBondContact O-N 2.99Å; Q43-T47 PolarHBondContact O-OG1 3.34Å; E44-T47 PolarHBondContact O-N 3.44Å; E44-T47 PolarHBondContact O-OG1 3.01Å; T47-L50 PolarHBondContact O-N 3.21Å; T47-R51 WeakPolarHBondContact O-CB 3.34Å; T47-R51 VanDerWaalsContact O-CG 3.32Å; T47-R51 WeakPolarHBondContact O-CG 3.37Å; T47-R51 PolarHBondContact O-N 3.15Å
48E96.1Very high95.1Very high135 Ų135114.3 Ų114.363%0.63155%0.551SS**Hα-helixtrans-64-43.8176.5-171-174.5-164.100111.2E44 A45 L50 R51 R52E44-E48 WeakPolarHBondContact O-CB 3.44Å; E44-E48 PolarHBondContact O-N 2.92Å; A45-E48 PolarHBondContact O-N 3.49Å; E48-L50 VanDerWaalsContact C-N 3.34Å; E48-L50 PolarHBondContact O-N 3.12Å; E48-R51 PolarHBondContact O-N 3.23Å; E48-R52 WeakPolarHBondContact O-CB 3.17Å; E48-R52 PolarHBondContact O-N 3.09Å
49Y97.1Very high94.3Very high151 Ų151116.8 Ų116.859%0.59256%0.557SS**Hα-helixtrans-56.7-47.4175.1174.1-103.8000111.7A45 R46 R52 K53A45-Y49 WeakPolarHBondContact O-CB 3.47Å; A45-Y49 PolarHBondContact O-N 3.18Å; R46-Y49 PolarHBondContact O-N 3.2Å; Y49-R52 PolarHBondContact O-N 3.37Å; Y49-K53 WeakPolarHBondContact O-CB 3.31Å; Y49-K53 PolarHBondContact O-N 3.14Å
50L96.4Very high93.4Very high97 Ų97116.7 Ų116.751%0.50856%0.563SS.*Hα-helixtrans-63.8-41.5177-69.3174.9000112.2R46 T47 E48 K53 S54R46-L50 WeakPolarHBondContact O-CG 3.35Å; R46-L50 PolarHBondContact O-N 2.97Å; R46-L50 VanDerWaalsContact O-N 3.11Å; T47-L50 PolarHBondContact O-N 3.21Å; E48-L50 VanDerWaalsContact C-N 3.34Å; E48-L50 PolarHBondContact O-N 3.12Å; L50-K53 PolarHBondContact O-N 3.28Å; L50-S54 PolarHBondContact O-N 3.09Å; L50-S54 PolarHBondContact O-OG 3.19Å
51R94.3Very high92.2Very high170 Ų170112.2 Ų112.264%0.64256%0.561SS**Hα-helixtrans-63.8-41.5175.8-76.4175.5174179.1-0.6112.3T47 E48 S54 R55T47-R51 WeakPolarHBondContact O-CB 3.34Å; T47-R51 VanDerWaalsContact O-CG 3.32Å; T47-R51 WeakPolarHBondContact O-CG 3.37Å; T47-R51 PolarHBondContact O-N 3.15Å; E48-R51 PolarHBondContact O-N 3.23Å; R51-S54 PolarHBondContact O-OG 2.84Å; R51-R55 WeakPolarHBondContact O-CB 3.4Å; R51-R55 VanDerWaalsContact O-CG 3.29Å; R51-R55 WeakPolarHBondContact O-CG 3.49Å; R51-R55 PolarHBondContact O-N 2.63Å
52R94.8Very high90.5Very high195 Ų195112 Ų11274%0.73656%0.563SS**Hα-helixtrans-66.4-42.2177.1-174176.5177.3-179.6-1.1110.5E48 Y49 R55 A56E48-R52 WeakPolarHBondContact O-CB 3.17Å; E48-R52 PolarHBondContact O-N 3.09Å; Y49-R52 PolarHBondContact O-N 3.37Å; R52-R55 PolarHBondContact O-N 2.65Å; R52-A56 WeakPolarHBondContact O-CB 3.32Å; R52-A56 PolarHBondContact O-N 3.18Å
53K96Very high88.4Confident131 Ų131109.4 Ų109.457%0.5756%0.564SS**Hα-helixtrans-61.6-44.2176.3-171.5177.2-179.1-179.40111.9Y49 L50 A56 A57Y49-K53 WeakPolarHBondContact O-CB 3.31Å; Y49-K53 PolarHBondContact O-N 3.14Å; L50-K53 PolarHBondContact O-N 3.28Å; K53-A56 PolarHBondContact O-N 3.49Å; K53-A57 PolarHBondContact O-N 3.22Å
54S93.3Very high86.1Confident63 Ų63112.1 Ų112.144%0.44158%0.577SS.*Hα-helixtrans-67.4-41.9177.266.60000112.5L50 R51 A56 A57 L58L50-S54 PolarHBondContact O-N 3.09Å; L50-S54 PolarHBondContact O-OG 3.19Å; R51-S54 PolarHBondContact O-OG 2.84Å; S54-A56 PolarHBondContact O-N 2.87Å; S54-A57 PolarHBondContact O-N 3.08Å; S54-L58 WeakPolarHBondContact O-CG 3.43Å; S54-L58 PolarHBondContact O-N 2.99Å
55R93Very high83.9Confident173 Ų173110.6 Ų110.665%0.65359%0.587SS**Hα-helixtrans-60.8-43.2174.2-74.8178.2-179-161.2-0.1112.2R51 R52 A57 L58 Q59R51-R55 WeakPolarHBondContact O-CB 3.4Å; R51-R55 VanDerWaalsContact O-CG 3.29Å; R51-R55 WeakPolarHBondContact O-CG 3.49Å; R51-R55 PolarHBondContact O-N 2.63Å; R52-R55 PolarHBondContact O-N 2.65Å; R55-A57 VanDerWaalsContact C-N 3.33Å; R55-A57 PolarHBondContact O-N 2.62Å; R55-L58 PolarHBondContact O-N 2.91Å; R55-Q59 WeakPolarHBondContact O-CG 3.43Å; R55-Q59 PolarHBondContact O-N 3.29Å
56A91.8Very high81.5Confident52 Ų52111.9 Ų111.943%0.4360%0.598SS.*Hα-helixtrans-62-41.1176.200000111.6R52 K53 S54 Q59 S60R52-A56 WeakPolarHBondContact O-CB 3.32Å; R52-A56 PolarHBondContact O-N 3.18Å; K53-A56 PolarHBondContact O-N 3.49Å; S54-A56 PolarHBondContact O-N 2.87Å; A56-Q59 PolarHBondContact O-N 3.28Å; A56-S60 PolarHBondContact O-N 2.99Å; A56-S60 PolarHBondContact O-OG 2.79Å
57A90.8Very high79Confident54 Ų54110.9 Ų110.945%0.44661%0.606SS.*Hα-helixtrans-64.6-39.117600000113K53 S54 R55 S60 A61K53-A57 PolarHBondContact O-N 3.22Å; S54-A57 PolarHBondContact O-N 3.08Å; R55-A57 VanDerWaalsContact C-N 3.33Å; R55-A57 PolarHBondContact O-N 2.62Å; A57-S60 WeakPolarHBondContact CA-OG 3.32Å; A57-S60 PolarHBondContact O-OG 2.84Å; A57-A61 WeakPolarHBondContact O-CB 3.27Å; A57-A61 PolarHBondContact O-N 3.38Å
58L85Confident76.6Confident128 Ų128115.4 Ų115.467%0.6763%0.628SS**Hα-helixtrans-67.2-39.8174.4-72.7172.5000112.1S54 R55 A61 G62S54-L58 WeakPolarHBondContact O-CG 3.43Å; S54-L58 PolarHBondContact O-N 2.99Å; R55-L58 PolarHBondContact O-N 2.91Å; L58-A61 PolarHBondContact O-N 3.28Å; L58-G62 PolarHBondContact O-N 3.44Å
59Q81.6Confident73.9Confident143 Ų143114.7 Ų114.767%0.66863%0.628SS**Hα-helixtrans-67.1-39.5176.3-74174.9-6.700111.9R55 A56 A61 G62 A63R55-Q59 WeakPolarHBondContact O-CG 3.43Å; R55-Q59 PolarHBondContact O-N 3.29Å; A56-Q59 PolarHBondContact O-N 3.28Å; Q59-A61 VanDerWaalsContact C-N 3.33Å; Q59-G62 PolarHBondContact O-N 3.36Å; Q59-A63 VanDerWaalsContact O-CB 3.31Å; Q59-A63 WeakPolarHBondContact O-CB 3.19Å; Q59-A63 PolarHBondContact O-N 3.16Å
60S75.9Confident72Confident79 Ų79116.4 Ų116.455%0.55264%0.641SS**Hα-helixtrans-66.7-35174.356.60000112.5A56 A57A56-S60 PolarHBondContact O-N 2.99Å; A56-S60 PolarHBondContact O-OG 2.79Å; A57-S60 WeakPolarHBondContact CA-OG 3.32Å; A57-S60 PolarHBondContact O-OG 2.84Å
61A72Confident69.5Low70 Ų70122.2 Ų122.258%0.57966%0.657SS**Hα-helixtrans-76.3-31.8176.500000113A57 L58 Q59A57-A61 WeakPolarHBondContact O-CB 3.27Å; A57-A61 PolarHBondContact O-N 3.38Å; L58-A61 PolarHBondContact O-N 3.28Å; Q59-A61 VanDerWaalsContact C-N 3.33Å
62G59.3Low66.8Low47 Ų47119.4 Ų119.449%0.48566%0.663SS.*Hα-helixtrans-80.9-18.117700000114.5L58 Q59 E64 G65L58-G62 PolarHBondContact O-N 3.44Å; Q59-G62 PolarHBondContact O-N 3.36Å; G62-E64 VanDerWaalsContact C-N 3.33Å; G62-G65 PolarHBondContact O-N 2.84Å
63A54.9Low64.6Low77 Ų77114.6 Ų114.664%0.63667%0.674SS**THydrogen-bonded Turntrans-76.8-14.6176.900000113.9Q59Q59-A63 VanDerWaalsContact O-CB 3.31Å; Q59-A63 WeakPolarHBondContact O-CB 3.19Å; Q59-A63 PolarHBondContact O-N 3.16Å
64E49.1Very low61.9Low188 Ų188111.9 Ų111.988%0.87968%0.676SS**THydrogen-bonded Turntrans-87.3-0.3171.6-81.1-172.8150.800113.5G62G62-E64 VanDerWaalsContact C-N 3.33Å
65G50Low59.9Low63 Ų63114.3 Ų114.365%0.64969%0.693SS**  trans-126.428.1-176.300000114.6G62G62-G65 PolarHBondContact O-N 2.84Å
66A45.8Very low58Low81 Ų81114.2 Ų114.267%0.66971%0.705SS**  trans-103.864.417900000111.4
67D44.7Very low56.6Low163 Ų163119.9 Ų119.987%0.87272%0.722SS**SBendtrans-141.2123.7147.2-91.1-42.3000106.2
68D46Very low55.6Low163 Ų163125.1 Ų125.187%0.87274%0.737SS**  trans109.1134166.7-149.435.5000119.2
69D40.2Very low55Low120 Ų120125.9 Ų125.964%0.64274%0.741SS**  trans83.393.8163.4-137.248.3000121.2R71D69-R71 PolarHBondContact O-N 2.95Å
70E57Low54.6Low187 Ų187125 Ų12587%0.87474%0.741SS**  trans-63.5108.8144.7-76-148.5158.200110.9
71R44.3Very low54.4Low220 Ų220127.5 Ų127.583%0.8375%0.748SS**  trans-168.7144.3146.4-116.6144.6169.8-152.4-4.3117D69D69-R71 PolarHBondContact O-N 2.95Å
72S38.4Very low53.8Low111 Ų111132.8 Ų132.878%0.77676%0.758SS**  trans87.994.5153.577.30000118.1A74S72-A74 PolarHBondContact O-N 2.91Å
73G47.3Very low54.2Low93 Ų93135 Ų13596%0.95976%0.764SS**  trans-71.693.915700000111.2
74A40.6Very low54.4Low75 Ų75139.2 Ų139.262%0.6277%0.774SS**  trans-121.5126.7159.200000107.8S72 L76S72-A74 PolarHBondContact O-N 2.91Å; A74-L76 PolarHBondContact O-N 3.24Å
75S49.7Very low54.7Low113 Ų113138.4 Ų138.479%0.7977%0.771SS**  trans-52.8103172.1460000109.8E77S75-E77 VanDerWaalsContact C-N 3.3Å; S75-E77 PolarHBondContact O-N 3.46Å
76L54.3Low54.8Low172 Ų172143.8 Ų143.890%0.90178%0.779SS**  trans-6590172.8-78.8155.8000108.6A74 H78A74-L76 PolarHBondContact O-N 3.24Å; L76-H78 PolarHBondContact O-N 3.25Å
77E62.4Low55Low170 Ų170143.4 Ų143.479%0.79478%0.776SS**  trans-56.1124.1161.8-67.4-174.8162.500107.8S75 L79S75-E77 VanDerWaalsContact C-N 3.3Å; S75-E77 PolarHBondContact O-N 3.46Å; E77-L79 PolarHBondContact O-N 3.29Å
78H69.2Low55.3Low164 Ų164141.6 Ų141.676%0.75977%0.771SS**  trans-62.5103.2-179.7-171.576.3000108.9L76 N80L76-H78 PolarHBondContact O-N 3.25Å; H78-N80 PolarHBondContact CD2-OD1 2.76Å; H78-N80 PolarHBondContact O-N 2.92Å
79L71.8Confident55.7Low144 Ų144140.9 Ų140.975%0.75476%0.762SS**  trans-62106.7171.4-72.4167.9000108E77 L81E77-L79 PolarHBondContact O-N 3.29Å; L79-L81 VanDerWaalsContact C-N 3.27Å; L79-L81 HydrophobicContact CB-CD1 3.7Å; L79-L81 WeakPolarHBondContact O-CD1 3.47Å; L79-L81 PolarHBondContact O-N 3.45Å
80N73.4Confident56.5Low124 Ų124144.2 Ų144.266%0.66377%0.771SS**  trans-69.786.5173-74.1-37.8000108.8H78 F82H78-N80 PolarHBondContact CD2-OD1 2.76Å; H78-N80 PolarHBondContact O-N 2.92Å; N80-F82 PolarHBondContact O-N 2.9Å; N80-F82 VanDerWaalsContact O-N 3.13Å
81L72.3Confident56.4Low133 Ų133144.1 Ų144.170%0.69677%0.768SS**SBendtrans-64.1-11.3175.9-95.465000113.2L79L79-L81 VanDerWaalsContact C-N 3.27Å; L79-L81 HydrophobicContact CB-CD1 3.7Å; L79-L81 WeakPolarHBondContact O-CD1 3.47Å; L79-L81 PolarHBondContact O-N 3.45Å
82F58.5Low56.9Low180 Ų180135.6 Ų135.679%0.78975%0.748SS**SBendtrans-13398.4176.1-58.7-76.9000110.1N80 L84N80-F82 PolarHBondContact O-N 2.9Å; N80-F82 VanDerWaalsContact O-N 3.13Å; F82-L84 PolarHBondContact O-N 3Å
83P69Low58.1Low95 Ų95135.7 Ų135.762%0.61774%0.74SS**  trans-56.3129.1164.5-18.931.4000108.7E85P83-E85 PolarHBondContact O-N 2.85Å
84L58Low59.7Low164 Ų164137.3 Ų137.386%0.85972%0.723SS**THydrogen-bonded Turntrans-66.37.3-171.2-149.677.5000114.4F82F82-L84 PolarHBondContact O-N 3Å
85E55.9Low61.5Low171 Ų171140.3 Ų140.380%0.79972%0.724SS**THydrogen-bonded Turntrans-88-12.6-172.8-65.9-170.9157.500113.8P83P83-E85 PolarHBondContact O-N 2.85Å
86E52.1Low62.7Low176 Ų176141.2 Ų141.282%0.82271%0.711SS**SBendtrans-101.6-0.4-178.8-67.2-173.8164.500114.9T88E86-T88 PolarHBondContact O-N 3.04Å
87A50.3Low64Low73 Ų73138 Ų13860%0.60369%0.694SS**THydrogen-bonded Turntrans-83.916.7-17900000114.7
88T51Low65Low125 Ų125137 Ų13777%0.76768%0.683SS**THydrogen-bonded Turntrans-88.94.5178.250.70000114.2E86E86-T88 PolarHBondContact O-N 3.04Å
89E54.5Low65.7Low148 Ų148135.3 Ų135.369%0.69268%0.675SS**  trans-117.552172.9-64.1-164.4-172.200112.6K91E89-K91 PolarHBondContact O-N 3.34Å
90K55.7Low66.5Low190 Ų190133.1 Ų133.183%0.82666%0.66SS**  trans-6891.3149.6-70.1-179.6-175174.20106.5G92K90-G92 PolarHBondContact O-N 3.5Å
91K56.3Low67.2Low186 Ų186133.6 Ų133.681%0.80966%0.656SS**  trans-6266.1159-71.2177.3-179.7172.30108.8E89E89-K91 PolarHBondContact O-N 3.34Å
92G53.7Low68Low41 Ų41132.1 Ų132.142%0.42365%0.646SS.*  trans-77.7134.8162.500000107.1K90 E94K90-G92 PolarHBondContact O-N 3.5Å; G92-E94 PolarHBondContact O-N 2.99Å
93N64.9Low69.5Low113 Ų113128.9 Ų128.960%0.60463%0.633SS**  trans-24.6108.5-176.9-119.710.8000112.4E95 Y96 L97N93-E95 PolarHBondContact O-N 3.24Å; N93-E95 VanDerWaalsContact O-N 3.11Å; N93-Y96 WeakPolarHBondContact O-CA 3.47Å; N93-Y96 WeakPolarHBondContact O-CB 3.47Å; N93-Y96 PolarHBondContact O-N 2.97Å; N93-L97 PolarHBondContact O-N 3.16Å
94E80.1Confident70.4Confident126 Ų126129.9 Ų129.959%0.58963%0.628SS**Hα-helixtrans-56.1-32.7180-66.7-175.1-177.700111G92 Y96 L97 R98G92-E94 PolarHBondContact O-N 2.99Å; E94-Y96 VanDerWaalsContact C-N 3.34Å; E94-Y96 PolarHBondContact O-N 3.46Å; E94-L97 PolarHBondContact O-N 3.42Å; E94-R98 VanDerWaalsContact O-CG 3.27Å; E94-R98 WeakPolarHBondContact O-CG 3.48Å; E94-R98 PolarHBondContact O-N 3.21Å; E94-R98 IonicContact OE2-CZ 2.65Å; E94-R98 IonicContact OE2-NH2 3.83Å; E94-R98 PolarHBondContact OE2-NH2 3.13Å
95E78.3Confident71.9Confident138 Ų138125 Ų12565%0.64560%0.6SS**Hα-helixtrans-59.3-40.8173.4-62.3-177.5163.200112.5N93 L97 R98 E99N93-E95 PolarHBondContact O-N 3.24Å; N93-E95 VanDerWaalsContact O-N 3.11Å; E95-L97 PolarHBondContact O-N 2.9Å; E95-R98 PolarHBondContact O-N 2.84Å; E95-E99 WeakPolarHBondContact O-CB 3.43Å; E95-E99 PolarHBondContact O-N 3.39Å
96Y76.1Confident73.5Confident132 Ų132123 Ų12352%0.51859%0.589SS.*Hα-helixtrans-68.1-37.5178.8176.5-102.3000112N93 E94 K100N93-Y96 WeakPolarHBondContact O-CA 3.47Å; N93-Y96 WeakPolarHBondContact O-CB 3.47Å; N93-Y96 PolarHBondContact O-N 2.97Å; E94-Y96 VanDerWaalsContact C-N 3.34Å; E94-Y96 PolarHBondContact O-N 3.46Å; Y96-K100 HydrophobicContact CE1-CD 4.42Å; Y96-K100 VanDerWaalsContact O-CB 3.26Å; Y96-K100 WeakPolarHBondContact O-CB 3.36Å; Y96-K100 PolarHBondContact O-N 2.98Å
97L80.3Confident75.3Confident106 Ų106119.6 Ų119.656%0.55557%0.573SS**Hα-helixtrans-70.4-36.9175.8-65.4177.5000111.6N93 E94 E95 K101N93-L97 PolarHBondContact O-N 3.16Å; E94-L97 PolarHBondContact O-N 3.42Å; E95-L97 PolarHBondContact O-N 2.9Å; L97-K101 WeakPolarHBondContact O-CB 3.13Å; L97-K101 PolarHBondContact O-N 3.07Å
98R83.9Confident77.1Confident149 Ų149119.5 Ų119.556%0.56256%0.56SS**Hα-helixtrans-66.2-48173.9-71.2174.1-165.9175.79.9111.3E94 E95 K100 K101 E102E94-R98 VanDerWaalsContact O-CG 3.27Å; E94-R98 WeakPolarHBondContact O-CG 3.48Å; E94-R98 PolarHBondContact O-N 3.21Å; E94-R98 IonicContact OE2-CZ 2.65Å; E94-R98 IonicContact OE2-NH2 3.83Å; E94-R98 PolarHBondContact OE2-NH2 3.13Å; E95-R98 PolarHBondContact O-N 2.84Å; R98-K100 VanDerWaalsContact C-N 3.34Å; R98-K100 PolarHBondContact O-N 3.46Å; R98-K101 WeakPolarHBondContact O-CB 3.5Å; R98-K101 PolarHBondContact O-N 3.04Å; R98-K101 VanDerWaalsContact O-N 3.07Å; R98-E102 WeakPolarHBondContact O-CG 3.42Å; R98-E102 PolarHBondContact O-N 3.46Å
99E83.9Confident78.8Confident127 Ų127120.2 Ų120.259%0.59355%0.549SS*.Hα-helixtrans-59.9-44.1178.1-173.8177.2-161.700111.6E95 K101 E102 E103E95-E99 WeakPolarHBondContact O-CB 3.43Å; E95-E99 PolarHBondContact O-N 3.39Å; E99-K101 VanDerWaalsContact C-N 3.28Å; E99-K101 PolarHBondContact O-N 3.32Å; E99-E102 PolarHBondContact O-N 3.03Å; E99-E103 WeakPolarHBondContact O-CB 3.35Å; E99-E103 PolarHBondContact O-N 2.83Å
100K88.3Confident80Confident98 Ų98117.4 Ų117.443%0.42655%0.551SS.*Hα-helixtrans-65.5-31.2176.4-166175.4-171171.40112.8Y96 R98 K104Y96-K100 HydrophobicContact CE1-CD 4.42Å; Y96-K100 VanDerWaalsContact O-CB 3.26Å; Y96-K100 WeakPolarHBondContact O-CB 3.36Å; Y96-K100 PolarHBondContact O-N 2.98Å; R98-K100 VanDerWaalsContact C-N 3.34Å; R98-K100 PolarHBondContact O-N 3.46Å; K100-K104 WeakPolarHBondContact O-CG 3.31Å; K100-K104 PolarHBondContact O-N 2.85Å
101K88.7Confident81.5Confident135 Ų135115 Ų11559%0.58755%0.546SS*.Hα-helixtrans-72.6-45.1174.6-167.5179.1177.5-174.50110.5L97 R98 E99 E103 K104 E105L97-K101 WeakPolarHBondContact O-CB 3.13Å; L97-K101 PolarHBondContact O-N 3.07Å; R98-K101 WeakPolarHBondContact O-CB 3.5Å; R98-K101 PolarHBondContact O-N 3.04Å; R98-K101 VanDerWaalsContact O-N 3.07Å; E99-K101 VanDerWaalsContact C-N 3.28Å; E99-K101 PolarHBondContact O-N 3.32Å; K101-E103 VanDerWaalsContact C-N 3.33Å; K101-E103 PolarHBondContact O-N 3.18Å; K101-K104 WeakPolarHBondContact O-CB 3.32Å; K101-K104 PolarHBondContact O-N 2.82Å; K101-E105 WeakPolarHBondContact O-CG 3.3Å; K101-E105 PolarHBondContact O-N 3.24Å
102E88.5Confident82.7Confident102 Ų102108.2 Ų108.248%0.47753%0.529SS..Hα-helixtrans-62.3-38.3175.3-72.3-178-164.400112.9R98 E99 E105 K106R98-E102 WeakPolarHBondContact O-CG 3.42Å; R98-E102 PolarHBondContact O-N 3.46Å; E99-E102 PolarHBondContact O-N 3.03Å; E102-E105 PolarHBondContact O-N 3.01Å; E102-K106 WeakPolarHBondContact O-CB 3.49Å; E102-K106 VanDerWaalsContact O-CG 3.23Å; E102-K106 WeakPolarHBondContact O-CG 3.39Å; E102-K106 PolarHBondContact O-N 3.18Å; E102-K106 IonicContact OE2-NZ 3.93Å
103E89.1Confident83.9Confident111 Ų111112.5 Ų112.552%0.51954%0.542SS..Hα-helixtrans-65.1-41.9177.1-166.7-179.8-168.400111.2E99 K101 K106 Q107E99-E103 WeakPolarHBondContact O-CB 3.35Å; E99-E103 PolarHBondContact O-N 2.83Å; K101-E103 VanDerWaalsContact C-N 3.33Å; K101-E103 PolarHBondContact O-N 3.18Å; E103-K106 PolarHBondContact O-N 3.4Å; E103-Q107 VanDerWaalsContact O-CG 3.3Å; E103-Q107 WeakPolarHBondContact O-CG 3.17Å; E103-Q107 PolarHBondContact O-N 3.27Å
104K88.9Confident84.1Confident117 Ų117110.2 Ų110.251%0.50953%0.529SS..Hα-helixtrans-62.8-46171.8-74.9178.6175.9-169.70111.8K100 K101 K106 Q107 E108K100-K104 WeakPolarHBondContact O-CG 3.31Å; K100-K104 PolarHBondContact O-N 2.85Å; K101-K104 WeakPolarHBondContact O-CB 3.32Å; K101-K104 PolarHBondContact O-N 2.82Å; K104-K106 VanDerWaalsContact C-N 3.3Å; K104-K106 PolarHBondContact O-N 3.02Å; K104-Q107 WeakPolarHBondContact O-CB 3.4Å; K104-Q107 PolarHBondContact O-N 3.05Å; K104-Q107 VanDerWaalsContact O-N 3.15Å; K104-E108 WeakPolarHBondContact O-CB 3.39Å; K104-E108 VanDerWaalsContact O-CG 3.31Å; K104-E108 WeakPolarHBondContact O-CG 3.48Å; K104-E108 PolarHBondContact O-N 2.86Å
105E89.3Confident83.9Confident60 Ų60108.4 Ų108.428%0.2853%0.526SS..Hα-helixtrans-62.6-36.9177.5-72.5-177.3-166.400111.9K101 E102 R109 L114K101-E105 WeakPolarHBondContact O-CG 3.3Å; K101-E105 PolarHBondContact O-N 3.24Å; E102-E105 PolarHBondContact O-N 3.01Å; E105-R109 WeakPolarHBondContact O-CB 3.18Å; E105-R109 WeakPolarHBondContact O-CG 3.42Å; E105-R109 PolarHBondContact O-N 3.34Å; E105-L114 HydrophobicContact CB-CD2 3.55Å; E105-L114 HydrophobicContact CG-CD2 3.56Å
106K90.1Very high83.2Confident130 Ų130105 Ų10557%0.56552%0.518SS*.Hα-helixtrans-65.3-43172.9-76.2167.3-173.3163.70111.5E102 E103 K104 R109 A110E102-K106 WeakPolarHBondContact O-CB 3.49Å; E102-K106 VanDerWaalsContact O-CG 3.23Å; E102-K106 WeakPolarHBondContact O-CG 3.39Å; E102-K106 PolarHBondContact O-N 3.18Å; E102-K106 IonicContact OE2-NZ 3.93Å; E103-K106 PolarHBondContact O-N 3.4Å; K104-K106 VanDerWaalsContact C-N 3.3Å; K104-K106 PolarHBondContact O-N 3.02Å; K106-R109 PolarHBondContact O-N 3.08Å; K106-A110 VanDerWaalsContact O-CB 3.26Å; K106-A110 WeakPolarHBondContact O-CB 3.46Å; K106-A110 PolarHBondContact O-N 3.4Å
107Q89.1Confident82.6Confident104 Ų104107.7 Ų107.749%0.48654%0.54SS..Hα-helixtrans-63.5-45.8175.3-73.1174.910.300111.1E103 K104 R109 A110 I111E103-Q107 VanDerWaalsContact O-CG 3.3Å; E103-Q107 WeakPolarHBondContact O-CG 3.17Å; E103-Q107 PolarHBondContact O-N 3.27Å; K104-Q107 WeakPolarHBondContact O-CB 3.4Å; K104-Q107 PolarHBondContact O-N 3.05Å; K104-Q107 VanDerWaalsContact O-N 3.15Å; Q107-R109 PolarHBondContact O-N 3.36Å; Q107-A110 PolarHBondContact O-N 3Å; Q107-I111 WeakPolarHBondContact O-CB 3.25Å; Q107-I111 WeakPolarHBondContact O-CD1 3.38Å; Q107-I111 WeakPolarHBondContact O-CG1 3.35Å; Q107-I111 PolarHBondContact O-N 3.48Å
108E88.3Confident81.8Confident72 Ų72104.8 Ų104.834%0.33654%0.535SS..Hα-helixtrans-65.4-38177.1-70.8175.8-17400111.9K104 I111 G112 L113 L114K104-E108 WeakPolarHBondContact O-CB 3.39Å; K104-E108 VanDerWaalsContact O-CG 3.31Å; K104-E108 WeakPolarHBondContact O-CG 3.48Å; K104-E108 PolarHBondContact O-N 2.86Å; E108-I111 PolarHBondContact O-N 3.5Å; E108-G112 CarbonylContact O-C 3.56Å; E108-G112 PolarHBondContact O-N 3.26Å; E108-L113 HydrophobicContact CB-CB 4.19Å; E108-L113 HydrophobicContact CG-CD2 4.06Å; E108-L113 PolarHBondContact O-N 3.43Å; E108-L114 HydrophobicContact CB-CB 3.7Å; E108-L114 PolarHBondContact O-N 3.49Å; E108-L114 VanDerWaalsContact O-N 3.14Å
109R87.1Confident80.8Confident139 Ų139102.2 Ų102.253%0.52554%0.538SS..Hα-helixtrans-63.1-43.1170.9-80.9171.4-172.5-175.59.5111.8E105 K106 Q107 G112 L114 V115E105-R109 WeakPolarHBondContact O-CB 3.18Å; E105-R109 WeakPolarHBondContact O-CG 3.42Å; E105-R109 PolarHBondContact O-N 3.34Å; K106-R109 PolarHBondContact O-N 3.08Å; Q107-R109 PolarHBondContact O-N 3.36Å; R109-G112 PolarHBondContact O-N 3.13Å; R109-L114 HydrophobicContact CG-CB 4.04Å; R109-L114 HydrophobicContact CG-CD2 4.23Å; R109-L114 HydrophobicContact CG-CG 4.26Å; R109-L114 WeakPolarHBondContact CG-O 3.48Å; R109-V115 WeakPolarHBondContact O-CG2 3.38Å
110A80.5Confident79.9Confident90 Ų90101.4 Ų101.474%0.74453%0.534SS*.Hα-helixtrans-68-35.9178.300000112.2K106 Q107 G112K106-A110 VanDerWaalsContact O-CB 3.26Å; K106-A110 WeakPolarHBondContact O-CB 3.46Å; K106-A110 PolarHBondContact O-N 3.4Å; Q107-A110 PolarHBondContact O-N 3Å; A110-G112 VanDerWaalsContact C-N 3.3Å
111I86.3Confident78.3Confident138 Ų138103 Ų10371%0.70856%0.555SS**Hα-helixtrans-73.8-23.7174.8-69.2164.9000111.3Q107 E108Q107-I111 WeakPolarHBondContact O-CB 3.25Å; Q107-I111 WeakPolarHBondContact O-CD1 3.38Å; Q107-I111 WeakPolarHBondContact O-CG1 3.35Å; Q107-I111 PolarHBondContact O-N 3.48Å; E108-I111 PolarHBondContact O-N 3.5Å
112G81.4Confident77.1Confident44 Ų44100.5 Ų100.545%0.45457%0.567SS.*THydrogen-bonded Turntrans97.12.7-177.800000114.9E108 R109 A110E108-G112 CarbonylContact O-C 3.56Å; E108-G112 PolarHBondContact O-N 3.26Å; R109-G112 PolarHBondContact O-N 3.13Å; A110-G112 VanDerWaalsContact C-N 3.3Å
113L79.8Confident75.8Confident132 Ų13298.2 Ų98.269%0.69156%0.562SS**THydrogen-bonded Turntrans-75.7-42.7-179.8-171.171.2000111.9E108 V115E108-L113 HydrophobicContact CB-CB 4.19Å; E108-L113 HydrophobicContact CG-CD2 4.06Å; E108-L113 PolarHBondContact O-N 3.43Å; L113-V115 VanDerWaalsContact C-N 3.35Å
114L67.9Low74.6Confident65 Ų65102.1 Ų102.134%0.3458%0.581SS.*THydrogen-bonded Turntrans-10232174.3-166.171.4000110.6E105 E108 R109 S116E105-L114 HydrophobicContact CB-CD2 3.55Å; E105-L114 HydrophobicContact CG-CD2 3.56Å; E108-L114 HydrophobicContact CB-CB 3.7Å; E108-L114 PolarHBondContact O-N 3.49Å; E108-L114 VanDerWaalsContact O-N 3.14Å; R109-L114 HydrophobicContact CG-CB 4.04Å; R109-L114 HydrophobicContact CG-CD2 4.23Å; R109-L114 HydrophobicContact CG-CG 4.26Å; R109-L114 WeakPolarHBondContact CG-O 3.48Å; L114-S116 PolarHBondContact O-N 3.5Å
115V77.1Confident73.7Confident88 Ų88101 Ų10153%0.53358%0.583SS.*  trans-76.7109165.91660000106.6R109 L113 L117R109-V115 WeakPolarHBondContact O-CG2 3.38Å; L113-V115 VanDerWaalsContact C-N 3.35Å; V115-L117 PolarHBondContact O-N 2.82Å
116S63.2Low73.1Confident66 Ų66101.3 Ų101.346%0.46259%0.59SS.*  trans-51.3113.116954.40000107.9L114 G118 Q120L114-S116 PolarHBondContact O-N 3.5Å; S116-G118 PolarHBondContact O-N 2.87Å; S116-Q120 PolarHBondContact OG-NE2 3.2Å
117L62Low72.5Confident188 Ų18897.2 Ų97.298%0.98458%0.576SS**SBendtrans-68.879.7178.8-172.374.2000108.9V115V115-L117 PolarHBondContact O-N 2.82Å
118G64.2Low72Confident45 Ų45101.3 Ų101.346%0.46459%0.587SS.*SBendtrans142.7165.217900000113.8S116S116-G118 PolarHBondContact O-N 2.87Å
119P63.5Low71.4Confident95 Ų95105.3 Ų105.362%0.61760%0.601SS**SBendtrans-54.9143.6169.3-19.531.6000110.4V125P119-V125 HydrophobicContact CB-CG2 4.43Å
120Q65.3Low71.1Confident110 Ų110105.3 Ų105.351%0.51461%0.608SS.*  trans-58.1142.8177.5-68.5-75.2-62.200110S116 G122 S123S116-Q120 PolarHBondContact OG-NE2 3.2Å; Q120-G122 PolarHBondContact O-N 3.33Å; Q120-S123 PolarHBondContact N-OG 3.49Å; Q120-S123 PolarHBondContact O-N 2.83Å; Q120-S123 PolarHBondContact O-OG 3.49Å; Q120-S123 VanDerWaalsContact O-OG 3.09Å
121P54.1Low71.1Confident133 Ų133102.9 Ų102.986%0.86458%0.581SS**THydrogen-bonded Turntrans-59.9114172.625.7-32.3000108.6
122G62.5Low70.9Confident82 Ų8299.1 Ų99.185%0.84557%0.567SS**THydrogen-bonded Turntrans110-11.9-175.500000115.4Q120 E124Q120-G122 PolarHBondContact O-N 3.33Å; G122-E124 PolarHBondContact O-N 2.86Å
123S62.7Low70.7Confident53 Ų53101.8 Ų101.837%0.37158%0.578SS.*  trans-94.387.3162.367.30000108.4Q120 V125Q120-S123 PolarHBondContact N-OG 3.49Å; Q120-S123 PolarHBondContact O-N 2.83Å; Q120-S123 PolarHBondContact O-OG 3.49Å; Q120-S123 VanDerWaalsContact O-OG 3.09Å; S123-V125 PolarHBondContact O-N 2.91Å
124E62.7Low70.5Confident193 Ų193102.1 Ų102.190%0.90258%0.576SS**  trans-6876.8165.3-68.2-179.7-170.100108.2G122 T126G122-E124 PolarHBondContact O-N 2.86Å; E124-T126 PolarHBondContact O-N 3.5Å
125V70.4Confident71Confident93 Ų93102.6 Ų102.656%0.56458%0.577SS**  trans-64.4105.4168174.10000105.5P119 S123 P127P119-V125 HydrophobicContact CB-CG2 4.43Å; S123-V125 PolarHBondContact O-N 2.91Å; V125-P127 WeakPolarHBondContact O-CD 3.33Å
126T77.6Confident71Confident68 Ų68101.8 Ų101.842%0.41757%0.566SS.*  trans-51.3113.6174.324.20000108.1E124 K131E124-T126 PolarHBondContact O-N 3.5Å; T126-K131 WeakPolarHBondContact O-CE 3.09Å
127P77.3Confident71.7Confident43 Ų43103.4 Ų103.428%0.27957%0.566SS.*  trans-62.4146.7-175.516.7-23.7000109.4V125 Y129 M130 K131V125-P127 WeakPolarHBondContact O-CD 3.33Å; P127-Y129 HydrophobicContact CB-CD1 3.88Å; P127-Y129 HydrophobicContact CB-CD2 4.48Å; P127-Y129 HydrophobicContact CB-CE1 3.37Å; P127-Y129 HydrophobicContact CB-CE2 4.02Å; P127-Y129 HydrophobicContact CB-CG 4.41Å; P127-Y129 VanDerWaalsContact CB-CZ 3.43Å; P127-Y129 HydrophobicContact CG-CD2 4.42Å; P127-Y129 HydrophobicContact CG-CE1 3.95Å; P127-Y129 HydrophobicContact CG-CE2 3.71Å; P127-Y129 VanDerWaalsContact CG-CZ 3.42Å; P127-Y129 WeakPolarHBondContact CG-OH 3.34Å; P127-Y129 PolarHBondContact O-N 3.27Å; P127-M130 HydrophobicContact CG-CB 4.49Å; P127-M130 HydrophobicContact CG-CG 4.14Å; P127-M130 PolarHBondContact O-N 3.44Å; P127-K131 PolarHBondContact O-N 2.89Å
128W77.1Confident72.5Confident190 Ų190100.1 Ų100.172%0.7255%0.546SS*.THydrogen-bonded Turntrans-56.2-21.6-17170.5-90000114K136W128-K136 WeakPolarHBondContact O-CE 3.24Å; W128-K136 PolarHBondContact O-NZ 2.95Å
129Y76.2Confident73.1Confident157 Ų157100.6 Ų100.662%0.61654%0.536SS*.THydrogen-bonded Turntrans-81.4-19.4176.655.7-101.3000114P127P127-Y129 HydrophobicContact CB-CD1 3.88Å; P127-Y129 HydrophobicContact CB-CD2 4.48Å; P127-Y129 HydrophobicContact CB-CE1 3.37Å; P127-Y129 HydrophobicContact CB-CE2 4.02Å; P127-Y129 HydrophobicContact CB-CG 4.41Å; P127-Y129 VanDerWaalsContact CB-CZ 3.43Å; P127-Y129 HydrophobicContact CG-CD2 4.42Å; P127-Y129 HydrophobicContact CG-CE1 3.95Å; P127-Y129 HydrophobicContact CG-CE2 3.71Å; P127-Y129 VanDerWaalsContact CG-CZ 3.42Å; P127-Y129 WeakPolarHBondContact CG-OH 3.34Å; P127-Y129 PolarHBondContact O-N 3.27Å
130M80.6Confident73.7Confident139 Ų139104.4 Ų104.469%0.68554%0.538SS*.THydrogen-bonded Turntrans-93.3-15.4174.5-64.1-153.484.700113.5P127 S132P127-M130 HydrophobicContact CG-CB 4.49Å; P127-M130 HydrophobicContact CG-CG 4.14Å; P127-M130 PolarHBondContact O-N 3.44Å; M130-S132 PolarHBondContact O-N 3.43Å
131K81.3Confident74.2Confident38 Ų38104.2 Ų104.217%0.16554%0.536CS..SBendtrans-65.9130.7174.2-69.2-176.8171179.60111T126 P127 E135 K136 E139T126-K131 WeakPolarHBondContact O-CE 3.09Å; P127-K131 PolarHBondContact O-N 2.89Å; K131-E135 WeakPolarHBondContact CA-OE2 3.28Å; K131-K136 HydrophobicContact CB-CG 4.04Å; K131-K136 VanDerWaalsContact O-CE 3.31Å; K131-K136 WeakPolarHBondContact O-CE 3.45Å; K131-K136 PolarHBondContact O-NZ 3.48Å; K131-E139 IonicContact NZ-OE1 2.8Å; K131-E139 IonicContact NZ-OE2 3.5Å; K131-E139 PolarHBondContact NZ-OE2 3.36Å
132S82Confident75.3Confident59 Ų59102.7 Ų102.741%0.41352%0.517SS..  trans-63.5158175.771.90000111.1M130 Q134 E135 K136M130-S132 PolarHBondContact O-N 3.43Å; S132-Q134 PolarHBondContact O-N 3.34Å; S132-E135 PolarHBondContact N-OE2 2.92Å; S132-E135 PolarHBondContact O-N 2.91Å; S132-E135 VanDerWaalsContact OG-CB 3.31Å; S132-E135 WeakPolarHBondContact OG-CB 3.45Å; S132-E135 PolarHBondContact OG-N 3.32Å; S132-E135 VanDerWaalsContact OG-N 3.12Å; S132-K136 WeakPolarHBondContact O-CG 3.44Å; S132-K136 PolarHBondContact O-N 3Å
133S77.2Confident75.7Confident100 Ų100104.5 Ų104.570%0.69950%0.502SS*.Hα-helixtrans-59.1-31.7176.5-166.70000111.9E137S133-E137 PolarHBondContact O-N 3.04Å; S133-E137 VanDerWaalsContact O-N 3.08Å
134Q76.6Confident75.8Confident139 Ų139105.5 Ų105.565%0.6550%0.5SS*.Hα-helixtrans-71.7-45.6179.9-162.4167.7-700111.3S132 K136 E137 E138S132-Q134 PolarHBondContact O-N 3.34Å; Q134-K136 VanDerWaalsContact C-N 3.31Å; Q134-K136 PolarHBondContact O-N 3.49Å; Q134-E137 WeakPolarHBondContact O-CB 3.4Å; Q134-E137 PolarHBondContact O-N 3.2Å; Q134-E137 VanDerWaalsContact O-N 3.07Å; Q134-E138 PolarHBondContact O-N 3.1Å
135E78Confident75.9Confident75 Ų75103.2 Ų103.235%0.3549%0.49SS..Hα-helixtrans-63.8-35.8175.1-167.1-176.117500111.9K131 S132 E137 E139K131-E135 WeakPolarHBondContact CA-OE2 3.28Å; S132-E135 PolarHBondContact N-OE2 2.92Å; S132-E135 PolarHBondContact O-N 2.91Å; S132-E135 VanDerWaalsContact OG-CB 3.31Å; S132-E135 WeakPolarHBondContact OG-CB 3.45Å; S132-E135 PolarHBondContact OG-N 3.32Å; S132-E135 VanDerWaalsContact OG-N 3.12Å; E135-E137 VanDerWaalsContact C-N 3.33Å; E135-E139 WeakPolarHBondContact O-CB 3.31Å; E135-E139 PolarHBondContact O-N 2.69Å
136K76.9Confident75.8Confident71 Ų71108.2 Ų108.231%0.30950%0.499SS..Hα-helixtrans-65.3-35.6172-75.2173.6-178.2166.10112.7W128 K131 S132 Q134 R140W128-K136 WeakPolarHBondContact O-CE 3.24Å; W128-K136 PolarHBondContact O-NZ 2.95Å; K131-K136 HydrophobicContact CB-CG 4.04Å; K131-K136 VanDerWaalsContact O-CE 3.31Å; K131-K136 WeakPolarHBondContact O-CE 3.45Å; K131-K136 PolarHBondContact O-NZ 3.48Å; S132-K136 WeakPolarHBondContact O-CG 3.44Å; S132-K136 PolarHBondContact O-N 3Å; Q134-K136 VanDerWaalsContact C-N 3.31Å; Q134-K136 PolarHBondContact O-N 3.49Å; K136-R140 WeakPolarHBondContact O-CB 3.27Å; K136-R140 VanDerWaalsContact O-CG 3.27Å; K136-R140 WeakPolarHBondContact O-CG 3.38Å; K136-R140 PolarHBondContact O-N 2.98Å
137E76.8Confident75.4Confident100 Ų100112.4 Ų112.447%0.46751%0.511SS..Hα-helixtrans-73.8-39.6179.2-159-176145.900111.3S133 Q134 E135 R140 K141S133-E137 PolarHBondContact O-N 3.04Å; S133-E137 VanDerWaalsContact O-N 3.08Å; Q134-E137 WeakPolarHBondContact O-CB 3.4Å; Q134-E137 PolarHBondContact O-N 3.2Å; Q134-E137 VanDerWaalsContact O-N 3.07Å; E135-E137 VanDerWaalsContact C-N 3.33Å; E137-R140 PolarHBondContact O-N 3.43Å; E137-K141 WeakPolarHBondContact O-CG 3.5Å; E137-K141 PolarHBondContact O-N 3.42Å; E137-K141 VanDerWaalsContact OE1-CE 3.31Å; E137-K141 WeakPolarHBondContact OE1-CE 3.11Å; E137-K141 IonicContact OE1-NZ 3.96Å; E137-K141 PolarHBondContact OE1-NZ 2.94Å
138E79.3Confident74.8Confident119 Ų119113.6 Ų113.656%0.55653%0.531SS*.Hα-helixtrans-64.9-44.8173.9-72.5177.2-179.300112Q134 R140 K141 E142Q134-E138 PolarHBondContact O-N 3.1Å; E138-R140 VanDerWaalsContact C-N 3.28Å; E138-R140 PolarHBondContact O-N 2.85Å; E138-K141 PolarHBondContact O-N 2.66Å; E138-K141 VanDerWaalsContact O-N 3.17Å; E138-E142 WeakPolarHBondContact O-CB 3.26Å; E138-E142 PolarHBondContact O-N 3.12Å
139E77.7Confident74.3Confident56 Ų56106.5 Ų106.526%0.26251%0.507SS..Hα-helixtrans-62.4-36.4176.4-169.2-173.9159.900111.8K131 E135 K143K131-E139 IonicContact NZ-OE1 2.8Å; K131-E139 IonicContact NZ-OE2 3.5Å; K131-E139 PolarHBondContact NZ-OE2 3.36Å; E135-E139 WeakPolarHBondContact O-CB 3.31Å; E135-E139 PolarHBondContact O-N 2.69Å; E139-K143 HydrophobicContact CG-CD 4.3Å; E139-K143 WeakPolarHBondContact O-CB 3.29Å; E139-K143 VanDerWaalsContact O-CG 3.32Å; E139-K143 WeakPolarHBondContact O-CG 3.31Å; E139-K143 PolarHBondContact O-N 3.1Å; E139-K143 WeakPolarHBondContact OE1-CE 3.34Å; E139-K143 IonicContact OE1-NZ 2.84Å; E139-K143 PolarHBondContact OE1-NZ 3.13Å
140R75.4Confident74.3Confident174 Ų174102 Ų10266%0.65750%0.499SS*.Hα-helixtrans-65.4-48.8172.9-78.3176.2179.2-164.20.9111K136 E137 E138 E142 K143 E144K136-R140 WeakPolarHBondContact O-CB 3.27Å; K136-R140 VanDerWaalsContact O-CG 3.27Å; K136-R140 WeakPolarHBondContact O-CG 3.38Å; K136-R140 PolarHBondContact O-N 2.98Å; E137-R140 PolarHBondContact O-N 3.43Å; E138-R140 VanDerWaalsContact C-N 3.28Å; E138-R140 PolarHBondContact O-N 2.85Å; R140-E142 VanDerWaalsContact C-N 3.34Å; R140-E142 PolarHBondContact O-N 3.12Å; R140-K143 PolarHBondContact O-N 3.47Å; R140-E144 VanDerWaalsContact O-CB 3.26Å; R140-E144 WeakPolarHBondContact O-CB 3.5Å; R140-E144 WeakPolarHBondContact O-CG 3.4Å; R140-E144 PolarHBondContact O-N 3.26Å
141K76.3Confident74.1Confident107 Ų107103 Ų10347%0.46550%0.501SS..Hα-helixtrans-59-44177.6-75172.5-175.6166.10111.4E137 E138 E144 Q145E137-K141 WeakPolarHBondContact O-CG 3.5Å; E137-K141 PolarHBondContact O-N 3.42Å; E137-K141 VanDerWaalsContact OE1-CE 3.31Å; E137-K141 WeakPolarHBondContact OE1-CE 3.11Å; E137-K141 IonicContact OE1-NZ 3.96Å; E137-K141 PolarHBondContact OE1-NZ 2.94Å; E138-K141 PolarHBondContact O-N 2.66Å; E138-K141 VanDerWaalsContact O-N 3.17Å; K141-E144 PolarHBondContact O-N 3.42Å; K141-Q145 VanDerWaalsContact O-CG 3.29Å; K141-Q145 WeakPolarHBondContact O-CG 3.36Å; K141-Q145 PolarHBondContact O-N 2.96Å
142E76.1Confident73.8Confident101 Ų101106.6 Ų106.647%0.47252%0.519SS..Hα-helixtrans-64.7-47178.5-165-164.2164.400112.2E138 R140 E144 Q145 R146E138-E142 WeakPolarHBondContact O-CB 3.26Å; E138-E142 PolarHBondContact O-N 3.12Å; R140-E142 VanDerWaalsContact C-N 3.34Å; R140-E142 PolarHBondContact O-N 3.12Å; E142-E144 PolarHBondContact O-N 3.28Å; E142-Q145 PolarHBondContact O-N 3.32Å; E142-R146 WeakPolarHBondContact O-CG 3.32Å; E142-R146 PolarHBondContact O-N 3.39Å; E142-R146 IonicContact OE1-CZ 3.66Å; E142-R146 IonicContact OE1-NE 3.58Å; E142-R146 PolarHBondContact OE1-NE 2.82Å; E142-R146 IonicContact OE1-NH2 2.63Å; E142-R146 PolarHBondContact OE1-NH2 3.39Å
143K71.3Confident73.7Confident120 Ų120108.6 Ų108.652%0.52252%0.522SS..Hα-helixtrans-61-33.1175.1-79.1174172.7168.60112.5E139 R140 K147E139-K143 HydrophobicContact CG-CD 4.3Å; E139-K143 WeakPolarHBondContact O-CB 3.29Å; E139-K143 VanDerWaalsContact O-CG 3.32Å; E139-K143 WeakPolarHBondContact O-CG 3.31Å; E139-K143 PolarHBondContact O-N 3.1Å; E139-K143 WeakPolarHBondContact OE1-CE 3.34Å; E139-K143 IonicContact OE1-NZ 2.84Å; E139-K143 PolarHBondContact OE1-NZ 3.13Å; R140-K143 PolarHBondContact O-N 3.47Å; K143-K147 PolarHBondContact O-N 3.07Å
144E64.6Low73.6Confident73 Ų73107.1 Ų107.134%0.34150%0.501SS..Hα-helixtrans-77.3-36.5179.2-74.1171.5-166.700112.6R140 K141 E142 K147 G148 R154R140-E144 VanDerWaalsContact O-CB 3.26Å; R140-E144 WeakPolarHBondContact O-CB 3.5Å; R140-E144 WeakPolarHBondContact O-CG 3.4Å; R140-E144 PolarHBondContact O-N 3.26Å; K141-E144 PolarHBondContact O-N 3.42Å; E142-E144 PolarHBondContact O-N 3.28Å; E144-K147 PolarHBondContact O-N 2.79Å; E144-G148 PolarHBondContact O-N 2.99Å; E144-R154 IonicContact OE2-CZ 3.84Å; E144-R154 IonicContact OE2-NH1 2.69Å; E144-R154 PolarHBondContact OE2-NH1 2.8Å
145Q65.4Low74Confident145 Ų145106.8 Ų106.868%0.67850%0.499SS*.Hα-helixtrans-63-44.5170.5-71.5-65.6-6.900111.1K141 E142 K147 G148K141-Q145 VanDerWaalsContact O-CG 3.29Å; K141-Q145 WeakPolarHBondContact O-CG 3.36Å; K141-Q145 PolarHBondContact O-N 2.96Å; E142-Q145 PolarHBondContact O-N 3.32Å; Q145-K147 PolarHBondContact O-N 3.16Å; Q145-G148 PolarHBondContact O-N 2.84Å; Q145-G148 VanDerWaalsContact O-N 3.1Å
146R68.6Low74.4Confident198 Ų198106.7 Ų106.775%0.74750%0.498SS*.Hα-helixtrans-60.8-25.8174.9-71.4179.8-174.9-157.73.9113.6E142E142-R146 WeakPolarHBondContact O-CG 3.32Å; E142-R146 PolarHBondContact O-N 3.39Å; E142-R146 IonicContact OE1-CZ 3.66Å; E142-R146 IonicContact OE1-NE 3.58Å; E142-R146 PolarHBondContact OE1-NE 2.82Å; E142-R146 IonicContact OE1-NH2 2.63Å; E142-R146 PolarHBondContact OE1-NH2 3.39Å
147K67.9Low74.8Confident156 Ų156108.7 Ų108.768%0.67851%0.506SS*.THydrogen-bonded Turntrans-84.8-8.1178.6-88.2178.6174.4175.40114.1K143 E144 Q145 I149K143-K147 PolarHBondContact O-N 3.07Å; E144-K147 PolarHBondContact O-N 2.79Å; Q145-K147 PolarHBondContact O-N 3.16Å; K147-I149 HydrophobicContact CB-CD1 3.91Å; K147-I149 HydrophobicContact CB-CG1 4.06Å; K147-I149 HydrophobicContact CD-CD1 4.19Å; K147-I149 PolarHBondContact O-N 3.37Å; K147-I149 VanDerWaalsContact O-N 3.12Å
148G66.4Low75.3Confident68 Ų68107.2 Ų107.270%0.70150%0.501SS*.THydrogen-bonded Turntrans60.121.9176.800000114.7E144 Q145 S150E144-G148 PolarHBondContact O-N 2.99Å; Q145-G148 PolarHBondContact O-N 2.84Å; Q145-G148 VanDerWaalsContact O-N 3.1Å; G148-S150 PolarHBondContact O-N 3.22Å
149I66.1Low75.8Confident42 Ų42108.2 Ų108.222%0.21550%0.5CS..  trans-82.5113.9-178.5-60.3166000108.2K147 E153 R154K147-I149 HydrophobicContact CB-CD1 3.91Å; K147-I149 HydrophobicContact CB-CG1 4.06Å; K147-I149 HydrophobicContact CD-CD1 4.19Å; K147-I149 PolarHBondContact O-N 3.37Å; K147-I149 VanDerWaalsContact O-N 3.12Å; I149-E153 HydrophobicContact CG2-CB 3.82Å; I149-R154 HydrophobicContact CG2-CG 3.81Å; I149-R154 PolarHBondContact O-NE 3.3Å; I149-R154 VanDerWaalsContact O-NE 3.12Å; I149-R154 PolarHBondContact O-NH2 2.95Å
150S75.1Confident76.3Confident63 Ų63114 Ų11444%0.44152%0.52SS..  trans-50.8141171.7157.30000111.5G148 E152 E153 R154G148-S150 PolarHBondContact O-N 3.22Å; S150-E152 PolarHBondContact O-N 3.05Å; S150-E152 PolarHBondContact OG-N 3.37Å; S150-E153 WeakPolarHBondContact O-CB 3.22Å; S150-E153 PolarHBondContact O-N 3.32Å; S150-R154 PolarHBondContact O-N 3.03Å
151E76.5Confident77Confident159 Ų159110.3 Ų110.374%0.74351%0.512SS*.Hα-helixtrans-53.6-35.6177.3-71.2-172.9156.500112.3E153 R154 E155E151-E153 VanDerWaalsContact C-N 3.33Å; E151-E153 PolarHBondContact O-N 3.49Å; E151-R154 WeakPolarHBondContact O-CB 3.35Å; E151-R154 PolarHBondContact O-N 2.84Å; E151-R154 VanDerWaalsContact O-N 3.08Å; E151-E155 PolarHBondContact O-N 2.69Å
152E76.1Confident77.7Confident114 Ų114111.3 Ų111.353%0.53352%0.517SS..Hα-helixtrans-66.5-34.2178.9-158.9-164.9157.900112.3S150 R154 K156S150-E152 PolarHBondContact O-N 3.05Å; S150-E152 PolarHBondContact OG-N 3.37Å; E152-R154 VanDerWaalsContact C-N 3.33Å; E152-K156 VanDerWaalsContact CD-NZ 3.29Å; E152-K156 WeakPolarHBondContact O-CD 3.49Å; E152-K156 VanDerWaalsContact O-CG 3.24Å; E152-K156 WeakPolarHBondContact O-CG 3.27Å; E152-K156 PolarHBondContact O-N 3.19Å; E152-K156 VanDerWaalsContact OE1-CE 3.31Å; E152-K156 WeakPolarHBondContact OE1-CE 3.4Å; E152-K156 IonicContact OE1-NZ 3.59Å; E152-K156 PolarHBondContact OE1-NZ 2.99Å; E152-K156 IonicContact OE2-NZ 3.65Å
153E79.9Confident78.2Confident101 Ų101109.1 Ų109.147%0.47251%0.508SS..Hα-helixtrans-72-29.5173.7-70.5-161.8156.500112.2I149 S150 E151 K157I149-E153 HydrophobicContact CG2-CB 3.82Å; S150-E153 WeakPolarHBondContact O-CB 3.22Å; S150-E153 PolarHBondContact O-N 3.32Å; E151-E153 VanDerWaalsContact C-N 3.33Å; E151-E153 PolarHBondContact O-N 3.49Å; E153-K157 WeakPolarHBondContact O-CG 3.32Å; E153-K157 PolarHBondContact O-N 3.3Å
154R74.9Confident79Confident69 Ų69107.4 Ų107.426%0.2651%0.512SS..Hα-helixtrans-68.2-49.4176.1-59.5-176.8-167.2-178.412.4110.3E144 I149 S150 E151 E152 K156 K157 D158E144-R154 IonicContact OE2-CZ 3.84Å; E144-R154 IonicContact OE2-NH1 2.69Å; E144-R154 PolarHBondContact OE2-NH1 2.8Å; I149-R154 HydrophobicContact CG2-CG 3.81Å; I149-R154 PolarHBondContact O-NE 3.3Å; I149-R154 VanDerWaalsContact O-NE 3.12Å; I149-R154 PolarHBondContact O-NH2 2.95Å; S150-R154 PolarHBondContact O-N 3.03Å; E151-R154 WeakPolarHBondContact O-CB 3.35Å; E151-R154 PolarHBondContact O-N 2.84Å; E151-R154 VanDerWaalsContact O-N 3.08Å; E152-R154 VanDerWaalsContact C-N 3.33Å; R154-K156 VanDerWaalsContact C-N 3.26Å; R154-K156 PolarHBondContact O-N 3.25Å; R154-K157 PolarHBondContact O-N 2.88Å; R154-K157 VanDerWaalsContact O-N 3.07Å; R154-D158 WeakPolarHBondContact O-CB 3.34Å; R154-D158 PolarHBondContact O-N 2.97Å
155E85.3Confident80.2Confident131 Ų131110.2 Ų110.261%0.61253%0.528SS*.Hα-helixtrans-61.1-38.5178.7-164.9-175.3176.900111.1E151 R159E151-E155 PolarHBondContact O-N 2.69Å; E155-R159 WeakPolarHBondContact O-CB 3.45Å; E155-R159 PolarHBondContact O-N 2.91Å
156K86.6Confident81.4Confident74 Ų74106 Ų10632%0.32251%0.51SS..Hα-helixtrans-64.2-40.6174.1-73.5168.1-172.1166.20112.7E152 R154 R160E152-K156 VanDerWaalsContact CD-NZ 3.29Å; E152-K156 WeakPolarHBondContact O-CD 3.49Å; E152-K156 VanDerWaalsContact O-CG 3.24Å; E152-K156 WeakPolarHBondContact O-CG 3.27Å; E152-K156 PolarHBondContact O-N 3.19Å; E152-K156 VanDerWaalsContact OE1-CE 3.31Å; E152-K156 WeakPolarHBondContact OE1-CE 3.4Å; E152-K156 IonicContact OE1-NZ 3.59Å; E152-K156 PolarHBondContact OE1-NZ 2.99Å; E152-K156 IonicContact OE2-NZ 3.65Å; R154-K156 VanDerWaalsContact C-N 3.26Å; R154-K156 PolarHBondContact O-N 3.25Å; K156-R160 WeakPolarHBondContact O-CB 3.43Å; K156-R160 WeakPolarHBondContact O-CG 3.23Å; K156-R160 PolarHBondContact O-N 3.38Å
157K84.8Confident82.5Confident113 Ų113101 Ų10149%0.49150%0.504SS..Hα-helixtrans-69.3-45.2177.6-78.2173.5-176.7166.30111.5E153 R154 R160 L161E153-K157 WeakPolarHBondContact O-CG 3.32Å; E153-K157 PolarHBondContact O-N 3.3Å; R154-K157 PolarHBondContact O-N 2.88Å; R154-K157 VanDerWaalsContact O-N 3.07Å; K157-R160 WeakPolarHBondContact O-CB 3.47Å; K157-R160 PolarHBondContact O-N 3.31Å; K157-L161 PolarHBondContact O-N 2.93Å
158D87.5Confident83.4Confident68 Ų6898.5 Ų98.536%0.36450%0.497SS..Hα-helixtrans-63-43.7177.2-176.757.2000111.2R154 R160 L161 K162R154-D158 WeakPolarHBondContact O-CB 3.34Å; R154-D158 PolarHBondContact O-N 2.97Å; D158-R160 VanDerWaalsContact C-N 3.34Å; D158-R160 PolarHBondContact O-N 2.88Å; D158-L161 WeakPolarHBondContact O-CB 3.46Å; D158-L161 PolarHBondContact O-N 2.95Å; D158-L161 VanDerWaalsContact O-N 3.13Å; D158-K162 WeakPolarHBondContact O-CB 3.48Å; D158-K162 WeakPolarHBondContact O-CG 3.42Å; D158-K162 PolarHBondContact O-N 3.27Å; D158-K162 WeakPolarHBondContact OD2-CE 3.38Å; D158-K162 IonicContact OD2-NZ 2.71Å; D158-K162 PolarHBondContact OD2-NZ 2.74Å
159R89.1Confident84.3Confident141 Ų14199.5 Ų99.553%0.53248%0.482SS..Hα-helixtrans-58.9-43.7172.8-167.7175.878.4-150.88.1111.8E155 L161 K162 D163E155-R159 WeakPolarHBondContact O-CB 3.45Å; E155-R159 PolarHBondContact O-N 2.91Å; R159-L161 VanDerWaalsContact C-N 3.33Å; R159-L161 PolarHBondContact O-N 3.3Å; R159-K162 PolarHBondContact O-N 3.48Å; R159-D163 WeakPolarHBondContact O-CB 3.42Å; R159-D163 PolarHBondContact O-N 3.03Å
160R88.4Confident85.2Confident176 Ų17699.5 Ų99.566%0.66449%0.493SS*.Hα-helixtrans-63.4-37.9175.4-74.7169.6-173.7-172.74112.6K156 K157 D158 S164K156-R160 WeakPolarHBondContact O-CB 3.43Å; K156-R160 WeakPolarHBondContact O-CG 3.23Å; K156-R160 PolarHBondContact O-N 3.38Å; K157-R160 WeakPolarHBondContact O-CB 3.47Å; K157-R160 PolarHBondContact O-N 3.31Å; D158-R160 VanDerWaalsContact C-N 3.34Å; D158-R160 PolarHBondContact O-N 2.88Å; R160-S164 WeakPolarHBondContact O-CB 3.46Å; R160-S164 PolarHBondContact O-N 3.43Å; R160-S164 PolarHBondContact O-OG 3.27Å
161L89.3Confident85.6Confident97 Ų97102.3 Ų102.351%0.50850%0.501SS..Hα-helixtrans-66.5-50.5177.6-17467.4000110.3K157 D158 R159 D163 S164 L165K157-L161 PolarHBondContact O-N 2.93Å; D158-L161 WeakPolarHBondContact O-CB 3.46Å; D158-L161 PolarHBondContact O-N 2.95Å; D158-L161 VanDerWaalsContact O-N 3.13Å; R159-L161 VanDerWaalsContact C-N 3.33Å; R159-L161 PolarHBondContact O-N 3.3Å; L161-D163 VanDerWaalsContact C-N 3.29Å; L161-D163 PolarHBondContact O-N 2.94Å; L161-S164 PolarHBondContact O-N 2.83Å; L161-S164 PolarHBondContact O-OG 2.94Å; L161-L165 HydrophobicContact CD1-CD1 4.32Å; L161-L165 HydrophobicContact CG-CD1 4.05Å; L161-L165 WeakPolarHBondContact O-CG 3.16Å; L161-L165 PolarHBondContact O-N 3.33Å
162K91.1Very high86Confident128 Ų128102.2 Ų102.256%0.55750%0.498SS*.Hα-helixtrans-56-44174.2-73.2171.3173.9165.70111.8D158 R159 S164 L165 D166D158-K162 WeakPolarHBondContact O-CB 3.48Å; D158-K162 WeakPolarHBondContact O-CG 3.42Å; D158-K162 PolarHBondContact O-N 3.27Å; D158-K162 WeakPolarHBondContact OD2-CE 3.38Å; D158-K162 IonicContact OD2-NZ 2.71Å; D158-K162 PolarHBondContact OD2-NZ 2.74Å; R159-K162 PolarHBondContact O-N 3.48Å; K162-S164 VanDerWaalsContact C-N 3.27Å; K162-S164 PolarHBondContact O-N 3.17Å; K162-L165 PolarHBondContact O-N 3.36Å; K162-D166 WeakPolarHBondContact O-CB 2.84Å; K162-D166 PolarHBondContact O-N 3.35Å
163D87.4Confident86.3Confident55 Ų55104 Ų10429%0.29450%0.504SS..Hα-helixtrans-62.8-32.6176.7-73-12.3000113.4R159 L161 K169R159-D163 WeakPolarHBondContact O-CB 3.42Å; R159-D163 PolarHBondContact O-N 3.03Å; L161-D163 VanDerWaalsContact C-N 3.29Å; L161-D163 PolarHBondContact O-N 2.94Å; D163-K169 HydrophobicContact CB-CD 3.81Å; D163-K169 VanDerWaalsContact O-CD 3.24Å; D163-K169 WeakPolarHBondContact O-CD 3.37Å; D163-K169 IonicContact OD1-NZ 3.91Å; D163-K169 PolarHBondContact OD1-NZ 3.07Å; D163-K169 IonicContact OD2-NZ 3.24Å; D163-K169 PolarHBondContact OD2-NZ 3.08Å
164S88.3Confident86.3Confident85 Ų85101.4 Ų101.459%0.59450%0.499SS*.Hα-helixtrans-79.6-29.4177.873.60000113.1R160 L161 K162R160-S164 WeakPolarHBondContact O-CB 3.46Å; R160-S164 PolarHBondContact O-N 3.43Å; R160-S164 PolarHBondContact O-OG 3.27Å; L161-S164 PolarHBondContact O-N 2.83Å; L161-S164 PolarHBondContact O-OG 2.94Å; K162-S164 VanDerWaalsContact C-N 3.27Å; K162-S164 PolarHBondContact O-N 3.17Å
165L89.7Confident86.4Confident131 Ų131105 Ų10569%0.68652%0.521SS*.Hα-helixtrans-87.8-7.5178.3-65.1175.1000112.5L161 K162 P167L161-L165 HydrophobicContact CD1-CD1 4.32Å; L161-L165 HydrophobicContact CG-CD1 4.05Å; L161-L165 WeakPolarHBondContact O-CG 3.16Å; L161-L165 PolarHBondContact O-N 3.33Å; K162-L165 PolarHBondContact O-N 3.36Å; L165-P167 WeakPolarHBondContact O-CD 3.31Å
166D90.8Very high85.7Confident56 Ų56101 Ų10130%0.29952%0.515SS..  trans-75.9114176.1176.510.6000111.2K162 L168 K169 G170K162-D166 WeakPolarHBondContact O-CB 2.84Å; K162-D166 PolarHBondContact O-N 3.35Å; D166-L168 PolarHBondContact O-N 3.39Å; D166-L168 WeakPolarHBondContact OD1-CB 3.42Å; D166-L168 PolarHBondContact OD1-N 3.17Å; D166-K169 HydrophobicContact CB-CB 4.32Å; D166-K169 PolarHBondContact O-N 2.96Å; D166-G170 PolarHBondContact O-N 3.4Å
167P90.5Very high84.4Confident94 Ų94101.3 Ų101.361%0.6152%0.52SS*.Hα-helixtrans-61.7-29.3179.225.4-34000112.9L165 K169 G170 M171L165-P167 WeakPolarHBondContact O-CD 3.31Å; P167-K169 PolarHBondContact O-N 2.95Å; P167-G170 PolarHBondContact O-N 2.89Å; P167-M171 WeakPolarHBondContact O-CG 3.43Å; P167-M171 PolarHBondContact O-N 3.32Å
168L87.3Confident83.1Confident103 Ų103103.8 Ų103.854%0.53953%0.528SS..Hα-helixtrans-67.9-35.8178.5-68.3170.7000111.8D166 M171 K172D166-L168 PolarHBondContact O-N 3.39Å; D166-L168 WeakPolarHBondContact OD1-CB 3.42Å; D166-L168 PolarHBondContact OD1-N 3.17Å; L168-M171 PolarHBondContact O-N 3.47Å; L168-K172 WeakPolarHBondContact O-CB 3.32Å; L168-K172 VanDerWaalsContact O-CG 3.27Å; L168-K172 WeakPolarHBondContact O-CG 3.34Å; L168-K172 PolarHBondContact O-N 2.94Å
169K86.3Confident81.8Confident89 Ų89102.5 Ų102.539%0.38753%0.531SS..Hα-helixtrans-67-38.7172.6-91.1175.91771740111.8D163 D166 P167 K173D163-K169 HydrophobicContact CB-CD 3.81Å; D163-K169 VanDerWaalsContact O-CD 3.24Å; D163-K169 WeakPolarHBondContact O-CD 3.37Å; D163-K169 IonicContact OD1-NZ 3.91Å; D163-K169 PolarHBondContact OD1-NZ 3.07Å; D163-K169 IonicContact OD2-NZ 3.24Å; D163-K169 PolarHBondContact OD2-NZ 3.08Å; D166-K169 HydrophobicContact CB-CB 4.32Å; D166-K169 PolarHBondContact O-N 2.96Å; P167-K169 PolarHBondContact O-N 2.95Å; K169-K173 WeakPolarHBondContact O-CB 3.26Å; K169-K173 PolarHBondContact O-N 2.95Å
170G85.4Confident80.4Confident43 Ų43103.3 Ų103.344%0.44353%0.533SS..Hα-helixtrans-58.9-48.8171.500000112.7D166 P167 K173 A174D166-G170 PolarHBondContact O-N 3.4Å; P167-G170 PolarHBondContact O-N 2.89Å; G170-K173 PolarHBondContact O-N 3.15Å; G170-A174 PolarHBondContact O-N 3.21Å
171M83.6Confident78.9Confident122 Ų122103 Ų10360%0.60153%0.533SS*.Hα-helixtrans-64.2-43178-69.8175.470.100112.6P167 L168 K173 A174 M175P167-M171 WeakPolarHBondContact O-CG 3.43Å; P167-M171 PolarHBondContact O-N 3.32Å; L168-M171 PolarHBondContact O-N 3.47Å; M171-K173 VanDerWaalsContact C-N 3.32Å; M171-K173 PolarHBondContact O-N 3.4Å; M171-A174 PolarHBondContact O-N 3.38Å; M171-M175 WeakPolarHBondContact O-CB 3.49Å; M171-M175 WeakPolarHBondContact O-CG 3.31Å; M171-M175 PolarHBondContact O-N 3.03Å
172K83.7Confident77.5Confident157 Ų157104.7 Ų104.768%0.68354%0.538SS*.Hα-helixtrans-61.6-39.7175.9-77.1173.5-178.4177.30112.1L168 G176L168-K172 WeakPolarHBondContact O-CB 3.32Å; L168-K172 VanDerWaalsContact O-CG 3.27Å; L168-K172 WeakPolarHBondContact O-CG 3.34Å; L168-K172 PolarHBondContact O-N 2.94Å; K172-G176 PolarHBondContact O-N 2.93Å
173K82.4Confident76Confident151 Ų151105.4 Ų105.466%0.65754%0.543SS*.Hα-helixtrans-64.5-45.9175.1-172.9179.9179-175.40111.4K169 G170 M171 G176 D177K169-K173 WeakPolarHBondContact O-CB 3.26Å; K169-K173 PolarHBondContact O-N 2.95Å; G170-K173 PolarHBondContact O-N 3.15Å; M171-K173 VanDerWaalsContact C-N 3.32Å; M171-K173 PolarHBondContact O-N 3.4Å; K173-G176 PolarHBondContact O-N 3.18Å; K173-D177 WeakPolarHBondContact O-CB 3.4Å; K173-D177 PolarHBondContact O-N 2.65Å
174A80.4Confident74.7Confident46 Ų46108.7 Ų108.738%0.3856%0.555SS.*Hα-helixtrans-60.8-45.4176.200000111.8G170 M171 D177 Y178G170-A174 PolarHBondContact O-N 3.21Å; M171-A174 PolarHBondContact O-N 3.38Å; A174-D177 PolarHBondContact O-N 2.64Å; A174-Y178 WeakPolarHBondContact O-CD2 3.49Å; A174-Y178 WeakPolarHBondContact O-CE2 3.47Å; A174-Y178 PolarHBondContact O-N 3.41Å
175M76.1Confident73.4Confident144 Ų144110.8 Ų110.871%0.70955%0.553SS**Hα-helixtrans-61.1-44.1175.7-79.8-78.3-88.500112.7M171 D177 Y178M171-M175 WeakPolarHBondContact O-CB 3.49Å; M171-M175 WeakPolarHBondContact O-CG 3.31Å; M171-M175 PolarHBondContact O-N 3.03Å; M175-D177 VanDerWaalsContact C-N 3.32Å; M175-D177 PolarHBondContact O-N 2.71Å; M175-Y178 PolarHBondContact O-N 2.86Å
176G71.1Confident72.1Confident48 Ų48111.4 Ų111.450%0.49555%0.55SS.*Hα-helixtrans-67.9-29.1176.600000114K172 K173 Y178 R180K172-G176 PolarHBondContact O-N 2.93Å; K173-G176 PolarHBondContact O-N 3.18Å; G176-Y178 VanDerWaalsContact C-N 3.35Å; G176-R180 PolarHBondContact O-N 2.99Å
177D60.3Low70.6Confident81 Ų81116.2 Ų116.243%0.43357%0.568SS.*Hα-helixtrans-71-26.3176.6-83.7-30.7000112.7K173 A174 M175 R180 R181K173-D177 WeakPolarHBondContact O-CB 3.4Å; K173-D177 PolarHBondContact O-N 2.65Å; A174-D177 PolarHBondContact O-N 2.64Å; M175-D177 VanDerWaalsContact C-N 3.32Å; M175-D177 PolarHBondContact O-N 2.71Å; D177-R180 PolarHBondContact O-N 3.12Å; D177-R181 WeakPolarHBondContact O-CB 3.43Å; D177-R181 PolarHBondContact O-N 3.3Å
178Y57.3Low69.2Low165 Ų165118.6 Ų118.665%0.64757%0.569SS**Hα-helixtrans-61.7-48.5174.2-73.4-78.9000111.9A174 M175 G176 R181 E182A174-Y178 WeakPolarHBondContact O-CD2 3.49Å; A174-Y178 WeakPolarHBondContact O-CE2 3.47Å; A174-Y178 PolarHBondContact O-N 3.41Å; M175-Y178 PolarHBondContact O-N 2.86Å; G176-Y178 VanDerWaalsContact C-N 3.35Å; Y178-R181 PolarHBondContact O-N 2.69Å; Y178-E182 PolarHBondContact O-N 3.22Å
179G58.8Low67.8Low41 Ų41120.6 Ų120.642%0.42358%0.576SS.*Hα-helixtrans-68.3-35.6178.200000113.6Q183G179-Q183 WeakPolarHBondContact O-CG 3.17Å; G179-Q183 PolarHBondContact O-N 3Å
180R59.2Low66.5Low157 Ų157121.3 Ų121.359%0.59259%0.588SS**Hα-helixtrans-74.7-33.2178-160.7179.2-167.2-145.76.5112.6G176 D177 K184G176-R180 PolarHBondContact O-N 2.99Å; D177-R180 PolarHBondContact O-N 3.12Å; R180-K184 WeakPolarHBondContact O-CB 3.34Å; R180-K184 WeakPolarHBondContact O-CG 3.48Å; R180-K184 PolarHBondContact O-N 2.98Å
181R57.9Low65.1Low171 Ų171126.7 Ų126.765%0.64559%0.594SS**Hα-helixtrans-69.1-35.6176.9-169.7174-171.4-174.61.4111.2D177 Y178 K184 K185D177-R181 WeakPolarHBondContact O-CB 3.43Å; D177-R181 PolarHBondContact O-N 3.3Å; Y178-R181 PolarHBondContact O-N 2.69Å; R181-K184 PolarHBondContact O-N 3.16Å; R181-K185 WeakPolarHBondContact O-CB 3.38Å; R181-K185 VanDerWaalsContact O-CG 3.32Å; R181-K185 WeakPolarHBondContact O-CG 3.3Å; R181-K185 PolarHBondContact O-N 3.48Å
182E60.1Low63.7Low131 Ų131124.7 Ų124.761%0.61259%0.586SS**Hα-helixtrans-67.9-45.8176.4-154.3174.4-162.200112.1Y178 K184 K185 K186Y178-E182 PolarHBondContact O-N 3.22Å; E182-K184 PolarHBondContact O-N 3.44Å; E182-K185 PolarHBondContact O-N 3.39Å; E182-K186 PolarHBondContact O-N 3.48Å; E182-K186 VanDerWaalsContact O-N 3.1Å
183Q60.3Low62.5Low144 Ų144128.2 Ų128.267%0.67360%0.595SS**Hα-helixtrans-61.6-40.7172.8-71.5-82.3-14.300112.2G179 K187G179-Q183 WeakPolarHBondContact O-CG 3.17Å; G179-Q183 PolarHBondContact O-N 3Å; Q183-K187 PolarHBondContact O-N 2.96Å; Q183-K187 VanDerWaalsContact O-N 3.07Å
184K59.3Low61Low124 Ų124123.6 Ų123.654%0.53959%0.59SS.*Hα-helixtrans-68.5-35.1175.3-81.2-175.9177.6-177.20113.1R180 R181 E182 K187 K188R180-K184 WeakPolarHBondContact O-CB 3.34Å; R180-K184 WeakPolarHBondContact O-CG 3.48Å; R180-K184 PolarHBondContact O-N 2.98Å; R181-K184 PolarHBondContact O-N 3.16Å; E182-K184 PolarHBondContact O-N 3.44Å; K184-K187 PolarHBondContact O-N 2.98Å; K184-K188 WeakPolarHBondContact O-CB 3.36Å; K184-K188 PolarHBondContact O-N 2.9Å
185K61.3Low59.6Low129 Ų129125 Ų12556%0.56159%0.589SS**Hα-helixtrans-63.3-47.9174.3-80.2-178.2178.5-171.60110.8R181 E182 K187 K188 E189R181-K185 WeakPolarHBondContact O-CB 3.38Å; R181-K185 VanDerWaalsContact O-CG 3.32Å; R181-K185 WeakPolarHBondContact O-CG 3.3Å; R181-K185 PolarHBondContact O-N 3.48Å; E182-K185 PolarHBondContact O-N 3.39Å; K185-K187 VanDerWaalsContact C-N 3.31Å; K185-K187 PolarHBondContact O-N 3.42Å; K185-K188 PolarHBondContact O-N 3.48Å; K185-K188 VanDerWaalsContact O-N 3.1Å; K185-E189 PolarHBondContact O-N 3.46Å
186K61.1Low58.3Low143 Ų143126.6 Ų126.662%0.62259%0.592SS**Hα-helixtrans-59.4-38.2174.7-80.5-175.7173.3177.40113.2E182 T190E182-K186 PolarHBondContact O-N 3.48Å; E182-K186 VanDerWaalsContact O-N 3.1Å; K186-T190 PolarHBondContact O-N 3.47Å; K186-T190 PolarHBondContact O-OG1 3.12Å
187K60Low57.3Low157 Ų157133.7 Ų133.768%0.68361%0.61SS**Hα-helixtrans-74.3-27.9176.3-164.5171.6-176.6173.90113.3Q183 K184 K185 T190 R191Q183-K187 PolarHBondContact O-N 2.96Å; Q183-K187 VanDerWaalsContact O-N 3.07Å; K184-K187 PolarHBondContact O-N 2.98Å; K185-K187 VanDerWaalsContact C-N 3.31Å; K185-K187 PolarHBondContact O-N 3.42Å; K187-T190 WeakPolarHBondContact CA-OG1 3.21Å; K187-T190 PolarHBondContact O-OG1 3.3Å; K187-T190 VanDerWaalsContact O-OG1 3.12Å; K187-R191 WeakPolarHBondContact O-CB 3.23Å; K187-R191 PolarHBondContact O-N 2.83Å
188K60.4Low56.9Low144 Ų144136 Ų13663%0.62662%0.62SS**Hα-helixtrans-77-41.8176.3-169.5177.9177.4-173.80111.4K184 K185 T190 R191 D192K184-K188 WeakPolarHBondContact O-CB 3.36Å; K184-K188 PolarHBondContact O-N 2.9Å; K185-K188 PolarHBondContact O-N 3.48Å; K185-K188 VanDerWaalsContact O-N 3.1Å; K188-T190 VanDerWaalsContact C-N 3.34Å; K188-T190 PolarHBondContact O-N 2.83Å; K188-R191 PolarHBondContact O-N 3.07Å; K188-R191 VanDerWaalsContact O-N 3.15Å; K188-D192 PolarHBondContact O-N 3.23Å
189E58.3Low56.5Low146 Ų146133 Ų13368%0.68262%0.62SS**Hα-helixtrans-60.6-40.7175-91.9-176.7148.300113K185 R191 R193K185-E189 PolarHBondContact O-N 3.46Å; E189-R191 VanDerWaalsContact C-N 3.28Å; E189-R191 PolarHBondContact O-N 2.97Å; E189-R193 PolarHBondContact O-N 3.08Å
190T58.4Low56.2Low103 Ų103134.6 Ų134.663%0.63264%0.635SS**Hα-helixtrans-68.1-29.5176.342.30000112.6K186 K187 K188K186-T190 PolarHBondContact O-N 3.47Å; K186-T190 PolarHBondContact O-OG1 3.12Å; K187-T190 WeakPolarHBondContact CA-OG1 3.21Å; K187-T190 PolarHBondContact O-OG1 3.3Å; K187-T190 VanDerWaalsContact O-OG1 3.12Å; K188-T190 VanDerWaalsContact C-N 3.34Å; K188-T190 PolarHBondContact O-N 2.83Å
191R56.4Low55.9Low156 Ų156133 Ų13359%0.58964%0.635SS**Hα-helixtrans-81.7-39.1178.7-156.5176.7177.5157.64.9112.9K187 K188 E189 R193 G194 E195K187-R191 WeakPolarHBondContact O-CB 3.23Å; K187-R191 PolarHBondContact O-N 2.83Å; K188-R191 PolarHBondContact O-N 3.07Å; K188-R191 VanDerWaalsContact O-N 3.15Å; E189-R191 VanDerWaalsContact C-N 3.28Å; E189-R191 PolarHBondContact O-N 2.97Å; R191-R193 PolarHBondContact O-N 2.79Å; R191-G194 PolarHBondContact O-N 3.21Å; R191-E195 HydrophobicContact CG-CG 4.41Å; R191-E195 IonicContact CZ-OE1 3.54Å; R191-E195 IonicContact NE-OE1 2.74Å; R191-E195 PolarHBondContact NE-OE1 2.79Å; R191-E195 IonicContact NH2-OE1 2.69Å; R191-E195 PolarHBondContact O-N 2.81Å
192D55.1Low55.7Low80 Ų80127.4 Ų127.443%0.42862%0.622SS.*Hα-helixtrans-63.5-29.9175.7-114.7-27.1000112.2K188 G194 K196K188-D192 PolarHBondContact O-N 3.23Å; D192-G194 VanDerWaalsContact C-N 3.3Å; D192-G194 PolarHBondContact O-N 3.49Å; D192-K196 WeakPolarHBondContact O-CG 3.37Å; D192-K196 PolarHBondContact O-N 2.91Å
193R57.3Low55.9Low231 Ų231125.7 Ų125.787%0.87263%0.625SS**Hα-helixtrans-71.9-23.8174.5-146.2174.6-167.91692.9113E189 R191E189-R193 PolarHBondContact O-N 3.08Å; R191-R193 PolarHBondContact O-N 2.79Å
194G52.3Low56.6Low54 Ų54123.3 Ų123.356%0.55762%0.616SS**Hα-helixtrans-92.9-31.2176.400000114.5R191 D192R191-G194 PolarHBondContact O-N 3.21Å; D192-G194 VanDerWaalsContact C-N 3.3Å; D192-G194 PolarHBondContact O-N 3.49Å
195E51.1Low57.5Low75 Ų75122.2 Ų122.235%0.3561%0.612SS.*Hα-helixtrans-87.8-15.7-174.2-76.7175.1178.300114.1R191 K197 I198 T199R191-E195 HydrophobicContact CG-CG 4.41Å; R191-E195 IonicContact CZ-OE1 3.54Å; R191-E195 IonicContact NE-OE1 2.74Å; R191-E195 PolarHBondContact NE-OE1 2.79Å; R191-E195 IonicContact NH2-OE1 2.69Å; R191-E195 PolarHBondContact O-N 2.81Å; E195-K197 PolarHBondContact O-N 3.26Å; E195-I198 PolarHBondContact O-N 3.46Å; E195-T199 PolarHBondContact O-OG1 3.14Å
196K48Very low58.5Low178 Ų178122.1 Ų122.177%0.77461%0.608SS**THydrogen-bonded Turntrans-60.8-3.2175.9-88.1-175.4179.2-174.80115.9D192D192-K196 WeakPolarHBondContact O-CG 3.37Å; D192-K196 PolarHBondContact O-N 2.91Å
197K50Low59.5Low198 Ų198120 Ų12086%0.86160%0.603SS**THydrogen-bonded Turntrans-98.8-8.6171.9-74.8-170.4175.8-174.40115E195E195-K197 PolarHBondContact O-N 3.26Å
198I52.3Low61Low128 Ų128119.7 Ų119.766%0.65660%0.598SS**THydrogen-bonded Turntrans-134.1-16-167.4-53.4-179.6000115.6E195E195-I198 PolarHBondContact O-N 3.46Å
199T49.6Very low62.4Low104 Ų104115 Ų11564%0.63859%0.586SS**  trans-118.266.2-172.3560000113.1E195E195-T199 PolarHBondContact O-OG1 3.14Å
200G51.7Low63.9Low73 Ų73111.9 Ų111.975%0.75357%0.571SS**  trans-1021.7178.800000116.3
201E52.1Low65.6Low123 Ų123115.8 Ų115.858%0.57558%0.575SS**SBendtrans-144.5127.1179-66.1175.9171.900108.9R206E201-R206 HydrophobicContact CB-CG 4.35Å
202S54.3Low67.4Low54 Ų54113.8 Ų113.838%0.37858%0.575SS.*  trans-62.3140.7-175.566.20000110.1I204 E205 R206S202-I204 PolarHBondContact O-N 3.15Å; S202-E205 WeakPolarHBondContact CB-OE2 3.36Å; S202-E205 PolarHBondContact N-OE2 2.79Å; S202-E205 VanDerWaalsContact N-OE2 3.08Å; S202-E205 WeakPolarHBondContact O-CB 3.46Å; S202-E205 PolarHBondContact O-N 2.93Å; S202-E205 WeakPolarHBondContact OG-CG 3.48Å; S202-E205 PolarHBondContact OG-OE2 2.84Å; S202-R206 PolarHBondContact O-N 2.99Å; S202-R206 VanDerWaalsContact O-N 3.16Å
203S65.4Low69.2Low96 Ų96116 Ų11667%0.67158%0.583SS**Hα-helixtrans-50.1-30.5-178.5-173.90000113.2L207S203-L207 WeakPolarHBondContact O-CG 3.2Å; S203-L207 PolarHBondContact O-N 2.8Å
204I74.6Confident71Confident94 Ų94111.7 Ų111.748%0.48257%0.566SS.*Hα-helixtrans-73.2-36.4176.3-154.180000112.9S202 R206 L207 R208S202-I204 PolarHBondContact O-N 3.15Å; I204-R206 VanDerWaalsContact C-N 3.35Å; I204-L207 PolarHBondContact O-N 3.32Å; I204-R208 WeakPolarHBondContact O-CG 3.27Å; I204-R208 PolarHBondContact O-N 3.44Å
205E78.1Confident73Confident100 Ų100114.1 Ų114.147%0.46756%0.563SS.*Hα-helixtrans-69.2-36.2176.8-76160.8167.700110.9S202 R208 A209S202-E205 WeakPolarHBondContact CB-OE2 3.36Å; S202-E205 PolarHBondContact N-OE2 2.79Å; S202-E205 VanDerWaalsContact N-OE2 3.08Å; S202-E205 WeakPolarHBondContact O-CB 3.46Å; S202-E205 PolarHBondContact O-N 2.93Å; S202-E205 WeakPolarHBondContact OG-CG 3.48Å; S202-E205 PolarHBondContact OG-OE2 2.84Å; E205-R208 PolarHBondContact O-N 2.84Å; E205-A209 WeakPolarHBondContact O-CB 3.24Å; E205-A209 PolarHBondContact O-N 3.44Å
206R81.6Confident75.1Confident128 Ų128113.4 Ų113.448%0.48357%0.57SS.*Hα-helixtrans-60.8-45171.8-70.1-175.3177.5166.11.3112.1E201 S202 I204 R208 A209 E210E201-R206 HydrophobicContact CB-CG 4.35Å; S202-R206 PolarHBondContact O-N 2.99Å; S202-R206 VanDerWaalsContact O-N 3.16Å; I204-R206 VanDerWaalsContact C-N 3.35Å; R206-R208 VanDerWaalsContact C-N 3.31Å; R206-R208 PolarHBondContact O-N 2.78Å; R206-A209 PolarHBondContact O-N 2.84Å; R206-E210 VanDerWaalsContact O-CB 3.31Å; R206-E210 WeakPolarHBondContact O-CB 3.48Å; R206-E210 PolarHBondContact O-N 3.3Å
207L82.5Confident77.3Confident98 Ų98110.7 Ų110.751%0.51356%0.56SS.*Hα-helixtrans-65.5-33.8176.3-68.4171.7000112.5S203 I204 R211S203-L207 WeakPolarHBondContact O-CG 3.2Å; S203-L207 PolarHBondContact O-N 2.8Å; I204-L207 PolarHBondContact O-N 3.32Å; L207-R211 WeakPolarHBondContact O-CB 3.21Å; L207-R211 PolarHBondContact O-N 2.86Å
208R90.6Very high79.4Confident150 Ų150107.9 Ų107.957%0.56655%0.55SS*.Hα-helixtrans-70-43173.6-72.6174.3-173.2153.60111.9I204 E205 R206 R211 L212I204-R208 WeakPolarHBondContact O-CG 3.27Å; I204-R208 PolarHBondContact O-N 3.44Å; E205-R208 PolarHBondContact O-N 2.84Å; R206-R208 VanDerWaalsContact C-N 3.31Å; R206-R208 PolarHBondContact O-N 2.78Å; R208-R211 PolarHBondContact O-N 3.43Å; R208-L212 WeakPolarHBondContact O-CB 3.34Å; R208-L212 WeakPolarHBondContact O-CG 3.31Å; R208-L212 PolarHBondContact O-N 3.43Å
209A90.3Very high81.4Confident45 Ų45110 Ų11037%0.37255%0.55SS..Hα-helixtrans-64.1-43.6176.600000111.1E205 R206 L212 Q213E205-A209 WeakPolarHBondContact O-CB 3.24Å; E205-A209 PolarHBondContact O-N 3.44Å; R206-A209 PolarHBondContact O-N 2.84Å; A209-L212 PolarHBondContact O-N 3.47Å; A209-Q213 WeakPolarHBondContact O-CB 3.42Å; A209-Q213 WeakPolarHBondContact O-CG 3.41Å; A209-Q213 PolarHBondContact O-N 2.9Å
210E90Very high83.5Confident81 Ų81113.6 Ų113.638%0.37955%0.552SS.*Hα-helixtrans-63.1-42.4175.1-169.7-173.3171.700111.5R206 Q213 R214R206-E210 VanDerWaalsContact O-CB 3.31Å; R206-E210 WeakPolarHBondContact O-CB 3.48Å; R206-E210 PolarHBondContact O-N 3.3Å; E210-Q213 PolarHBondContact O-N 3.26Å; E210-R214 VanDerWaalsContact CD-NH2 3.28Å; E210-R214 WeakPolarHBondContact O-CG 3.5Å; E210-R214 PolarHBondContact O-N 3.35Å; E210-R214 IonicContact OE1-CZ 3.33Å; E210-R214 IonicContact OE1-NE 3.34Å; E210-R214 IonicContact OE1-NH2 2.65Å; E210-R214 PolarHBondContact OE1-NH2 2.92Å; E210-R214 IonicContact OE2-NH2 2.64Å
211R93.5Very high85.4Confident186 Ų186119.2 Ų119.270%0.70255%0.55SS**Hα-helixtrans-59.1-48.4173.2177.8-176.3-78.8-171.1-5.6111.4L207 R208 Q213 R214 E215L207-R211 WeakPolarHBondContact O-CB 3.21Å; L207-R211 PolarHBondContact O-N 2.86Å; R208-R211 PolarHBondContact O-N 3.43Å; R211-Q213 VanDerWaalsContact C-N 3.3Å; R211-Q213 PolarHBondContact O-N 3.38Å; R211-R214 PolarHBondContact O-N 3.27Å; R211-E215 WeakPolarHBondContact O-CB 3.18Å; R211-E215 PolarHBondContact O-N 3.24Å
212L94.8Very high87.3Confident113 Ų113115.8 Ų115.859%0.59254%0.543SS*.Hα-helixtrans-62.3-37.5179-77.6168.5000112R208 A209 E215 A216R208-L212 WeakPolarHBondContact O-CB 3.34Å; R208-L212 WeakPolarHBondContact O-CG 3.31Å; R208-L212 PolarHBondContact O-N 3.43Å; A209-L212 PolarHBondContact O-N 3.47Å; L212-E215 PolarHBondContact O-N 2.99Å; L212-A216 VanDerWaalsContact O-CB 3.25Å; L212-A216 WeakPolarHBondContact O-CB 3.4Å; L212-A216 PolarHBondContact O-N 2.79Å
213Q94.1Very high89.1Confident127 Ų127118.5 Ų118.559%0.59355%0.549SS*.Hα-helixtrans-64.1-46.6174.9-76.4177.7-2.800111.6A209 E210 R211 E215 A216 E217A209-Q213 WeakPolarHBondContact O-CB 3.42Å; A209-Q213 WeakPolarHBondContact O-CG 3.41Å; A209-Q213 PolarHBondContact O-N 2.9Å; E210-Q213 PolarHBondContact O-N 3.26Å; R211-Q213 VanDerWaalsContact C-N 3.3Å; R211-Q213 PolarHBondContact O-N 3.38Å; Q213-E215 PolarHBondContact O-N 3.38Å; Q213-A216 PolarHBondContact O-N 2.81Å; Q213-E217 WeakPolarHBondContact O-CG 3.33Å; Q213-E217 PolarHBondContact O-N 2.88Å
214R94.6Very high90.3Very high141 Ų141114.9 Ų114.953%0.53253%0.526SS..Hα-helixtrans-61.4-45175.9-69.4-172.2-144.1158.32.5111.9E210 R211 A216 E217 E218E210-R214 VanDerWaalsContact CD-NH2 3.28Å; E210-R214 WeakPolarHBondContact O-CG 3.5Å; E210-R214 PolarHBondContact O-N 3.35Å; E210-R214 IonicContact OE1-CZ 3.33Å; E210-R214 IonicContact OE1-NE 3.34Å; E210-R214 IonicContact OE1-NH2 2.65Å; E210-R214 PolarHBondContact OE1-NH2 2.92Å; E210-R214 IonicContact OE2-NH2 2.64Å; R211-R214 PolarHBondContact O-N 3.27Å; R214-A216 VanDerWaalsContact C-N 3.32Å; R214-A216 PolarHBondContact O-N 2.94Å; R214-E217 PolarHBondContact O-N 2.84Å; R214-E218 WeakPolarHBondContact O-CB 3.43Å; R214-E218 WeakPolarHBondContact O-CG 3.33Å; R214-E218 PolarHBondContact O-N 3.28Å
215E93.3Very high90.9Very high105 Ų105115.4 Ų115.449%0.49153%0.529SS..Hα-helixtrans-61.8-41.6177.8-170.1-177161.800111.3R211 L212 Q213 E218 R219R211-E215 WeakPolarHBondContact O-CB 3.18Å; R211-E215 PolarHBondContact O-N 3.24Å; L212-E215 PolarHBondContact O-N 2.99Å; Q213-E215 PolarHBondContact O-N 3.38Å; E215-E218 PolarHBondContact O-N 3.29Å; E215-R219 WeakPolarHBondContact O-CB 3.18Å; E215-R219 PolarHBondContact O-N 3.09Å
216A95.9Very high91.4Very high59 Ų59115.8 Ų115.849%0.48853%0.533SS..Hα-helixtrans-65.5-40.3176.300000112.4L212 Q213 R214 R219 R220L212-A216 VanDerWaalsContact O-CB 3.25Å; L212-A216 WeakPolarHBondContact O-CB 3.4Å; L212-A216 PolarHBondContact O-N 2.79Å; Q213-A216 PolarHBondContact O-N 2.81Å; R214-A216 VanDerWaalsContact C-N 3.32Å; R214-A216 PolarHBondContact O-N 2.94Å; A216-R219 PolarHBondContact O-N 2.98Å; A216-R220 VanDerWaalsContact O-CB 3.3Å; A216-R220 WeakPolarHBondContact O-CB 3.3Å; A216-R220 PolarHBondContact O-N 3.03Å
217E94.6Very high91.6Very high122 Ų122111.6 Ų111.657%0.5752%0.52SS*.Hα-helixtrans-65.9-44.2176.1-75.6-179.117800112.2Q213 R214 R220 R221Q213-E217 WeakPolarHBondContact O-CG 3.33Å; Q213-E217 PolarHBondContact O-N 2.88Å; R214-E217 PolarHBondContact O-N 2.84Å; E217-R220 PolarHBondContact O-N 3.49Å; E217-R221 WeakPolarHBondContact O-CB 3.4Å; E217-R221 PolarHBondContact O-N 3.41Å
218E93.4Very high91.5Very high138 Ų138112.5 Ų112.565%0.64552%0.522SS*.Hα-helixtrans-63.9-43175.2-74.1-178.4177.100111.1R214 E215 R220 R221 A222R214-E218 WeakPolarHBondContact O-CB 3.43Å; R214-E218 WeakPolarHBondContact O-CG 3.33Å; R214-E218 PolarHBondContact O-N 3.28Å; E215-E218 PolarHBondContact O-N 3.29Å; E218-R220 PolarHBondContact O-N 2.87Å; E218-R221 WeakPolarHBondContact O-CB 3.26Å; E218-R221 PolarHBondContact O-N 2.85Å; E218-A222 WeakPolarHBondContact O-CB 3.35Å; E218-A222 PolarHBondContact O-N 3.34Å
219R94.6Very high90.9Very high174 Ų174116 Ų11666%0.65754%0.535SS*.Hα-helixtrans-63.2-41.2175.1-167.6174.2-175.6137.7-0.1111.7E215 A216 R221 A222 Q223E215-R219 WeakPolarHBondContact O-CB 3.18Å; E215-R219 PolarHBondContact O-N 3.09Å; A216-R219 PolarHBondContact O-N 2.98Å; R219-R221 VanDerWaalsContact C-N 3.34Å; R219-R221 PolarHBondContact O-N 2.75Å; R219-A222 PolarHBondContact O-N 3.18Å; R219-Q223 VanDerWaalsContact O-CB 3.24Å; R219-Q223 WeakPolarHBondContact O-CB 3.34Å; R219-Q223 PolarHBondContact O-N 2.96Å
220R93.8Very high90.3Very high179 Ų179117.1 Ų117.168%0.67554%0.54SS*.Hα-helixtrans-63.3-40.3173.9-168.8-176.679.1-177.62.6111.4A216 E217 E218 Q223 A224A216-R220 VanDerWaalsContact O-CB 3.3Å; A216-R220 WeakPolarHBondContact O-CB 3.3Å; A216-R220 PolarHBondContact O-N 3.03Å; E217-R220 PolarHBondContact O-N 3.49Å; E218-R220 PolarHBondContact O-N 2.87Å; R220-Q223 PolarHBondContact O-N 3.48Å; R220-A224 VanDerWaalsContact O-CB 3.31Å; R220-A224 WeakPolarHBondContact O-CB 3.42Å; R220-A224 PolarHBondContact O-N 3.07Å
221R91.8Very high89.2Confident191 Ų191116 Ų11672%0.72155%0.551SS**Hα-helixtrans-66.9-44.7177.6-170.9176.4-176.6160.20.3111.5E217 E218 R219 A224 L225E217-R221 WeakPolarHBondContact O-CB 3.4Å; E217-R221 PolarHBondContact O-N 3.41Å; E218-R221 WeakPolarHBondContact O-CB 3.26Å; E218-R221 PolarHBondContact O-N 2.85Å; R219-R221 VanDerWaalsContact C-N 3.34Å; R219-R221 PolarHBondContact O-N 2.75Å; R221-A224 PolarHBondContact O-N 3.07Å; R221-L225 PolarHBondContact O-N 3.33Å; R221-L225 VanDerWaalsContact O-N 3.13Å
222A91.8Very high87.7Confident51 Ų51115.6 Ų115.642%0.42155%0.554SS.*Hα-helixtrans-62-44.2174.700000111.4E218 R219 A224 L225 L226E218-A222 WeakPolarHBondContact O-CB 3.35Å; E218-A222 PolarHBondContact O-N 3.34Å; R219-A222 PolarHBondContact O-N 3.18Å; A222-A224 PolarHBondContact O-N 3.36Å; A222-L225 PolarHBondContact O-N 3.5Å; A222-L226 PolarHBondContact O-N 3.02Å
223Q91.8Very high85.9Confident110 Ų110116.6 Ų116.651%0.51455%0.55SS..Hα-helixtrans-63.7-40.7176.3-169.7172.511.800111.8R219 R220 L225 L226 D227R219-Q223 VanDerWaalsContact O-CB 3.24Å; R219-Q223 WeakPolarHBondContact O-CB 3.34Å; R219-Q223 PolarHBondContact O-N 2.96Å; R220-Q223 PolarHBondContact O-N 3.48Å; Q223-L225 VanDerWaalsContact C-N 3.31Å; Q223-L225 PolarHBondContact O-N 3.38Å; Q223-L226 CarbonylContact O-C 3.52Å; Q223-L226 WeakPolarHBondContact O-CB 3.37Å; Q223-L226 PolarHBondContact O-N 3.36Å; Q223-L226 VanDerWaalsContact O-N 3.16Å; Q223-D227 WeakPolarHBondContact O-CB 3.5Å; Q223-D227 VanDerWaalsContact O-CG 3.27Å; Q223-D227 PolarHBondContact O-N 3.4Å
224A90.4Very high84.1Confident21 Ų21120.1 Ų120.117%0.17456%0.563CS.*Hα-helixtrans-60.8-38.1175.400000112.8R220 R221 A222 D227 Q228R220-A224 VanDerWaalsContact O-CB 3.31Å; R220-A224 WeakPolarHBondContact O-CB 3.42Å; R220-A224 PolarHBondContact O-N 3.07Å; R221-A224 PolarHBondContact O-N 3.07Å; A222-A224 PolarHBondContact O-N 3.36Å; A224-D227 PolarHBondContact O-N 3.43Å; A224-Q228 VanDerWaalsContact O-CG 3.32Å; A224-Q228 WeakPolarHBondContact O-CG 3.46Å; A224-Q228 PolarHBondContact O-N 3.32Å
225L86.6Confident82.2Confident105 Ų105123 Ų12355%0.5557%0.574SS.*Hα-helixtrans-68.5-40.2174.2-71.1170.8000111.7R221 A222 Q223 Q228 R229R221-L225 PolarHBondContact O-N 3.33Å; R221-L225 VanDerWaalsContact O-N 3.13Å; A222-L225 PolarHBondContact O-N 3.5Å; Q223-L225 VanDerWaalsContact C-N 3.31Å; Q223-L225 PolarHBondContact O-N 3.38Å; L225-Q228 PolarHBondContact O-N 2.82Å; L225-R229 WeakPolarHBondContact O-CB 3.35Å; L225-R229 PolarHBondContact O-N 2.85Å
226L89.1Confident80.4Confident108 Ų108124.5 Ų124.557%0.56559%0.591SS**Hα-helixtrans-63.2-39.1173.2-98.3147.9000112.3A222 Q223 R229 S230A222-L226 PolarHBondContact O-N 3.02Å; Q223-L226 CarbonylContact O-C 3.52Å; Q223-L226 WeakPolarHBondContact O-CB 3.37Å; Q223-L226 PolarHBondContact O-N 3.36Å; Q223-L226 VanDerWaalsContact O-N 3.16Å; L226-R229 PolarHBondContact O-N 2.98Å; L226-S230 VanDerWaalsContact O-CB 3.28Å; L226-S230 WeakPolarHBondContact O-CB 3.34Å; L226-S230 PolarHBondContact O-N 3.31Å; L226-S230 PolarHBondContact O-OG 2.9Å
227D86.8Confident78.3Confident39 Ų39127.3 Ų127.321%0.20960%0.597CS.*Hα-helixtrans-69.3-36.7176.5-71.8-16.9000112.1Q223 A224 S230 G231 K232 R233Q223-D227 WeakPolarHBondContact O-CB 3.5Å; Q223-D227 VanDerWaalsContact O-CG 3.27Å; Q223-D227 PolarHBondContact O-N 3.4Å; A224-D227 PolarHBondContact O-N 3.43Å; D227-S230 WeakPolarHBondContact CA-OG 3.37Å; D227-S230 PolarHBondContact O-OG 3.38Å; D227-G231 PolarHBondContact O-N 2.89Å; D227-K232 PolarHBondContact O-N 3.37Å; D227-R233 HydrophobicContact CB-CG 4.18Å; D227-R233 IonicContact OD2-NE 2.85Å
228Q79.3Confident76.3Confident117 Ų117124.3 Ų124.355%0.54760%0.6SS.*Hα-helixtrans-64.1-41.1171-76.9177.51.900111.6A224 L225A224-Q228 VanDerWaalsContact O-CG 3.32Å; A224-Q228 WeakPolarHBondContact O-CG 3.46Å; A224-Q228 PolarHBondContact O-N 3.32Å; L225-Q228 PolarHBondContact O-N 2.82Å
229R78.9Confident74.4Confident225 Ų225127 Ų12785%0.84961%0.612SS**Hα-helixtrans-73.2-35.7178.9-174.5174.1175.9-137.6-1.4112.8L225 L226 G231L225-R229 WeakPolarHBondContact O-CB 3.35Å; L225-R229 PolarHBondContact O-N 2.85Å; L226-R229 PolarHBondContact O-N 2.98Å; R229-G231 PolarHBondContact O-N 3.42Å
230S76.4Confident72.7Confident68 Ų68122.5 Ų122.548%0.47660%0.604SS.*THydrogen-bonded Turntrans-822.4178.860.90000113.7L226 D227 K232L226-S230 VanDerWaalsContact O-CB 3.28Å; L226-S230 WeakPolarHBondContact O-CB 3.34Å; L226-S230 PolarHBondContact O-N 3.31Å; L226-S230 PolarHBondContact O-OG 2.9Å; D227-S230 WeakPolarHBondContact CA-OG 3.37Å; D227-S230 PolarHBondContact O-OG 3.38Å; S230-K232 PolarHBondContact O-N 2.78Å; S230-K232 VanDerWaalsContact O-N 3.13Å
231G67.8Low71.2Confident58 Ų58119.4 Ų119.460%0.59860%0.601SS**THydrogen-bonded Turntrans69.46.2175.300000114.9D227 R229 R233D227-G231 PolarHBondContact O-N 2.89Å; R229-G231 PolarHBondContact O-N 3.42Å; G231-R233 VanDerWaalsContact C-N 3.26Å; G231-R233 PolarHBondContact O-N 2.99Å
232K62.9Low69.6Low176 Ų176118 Ų11877%0.76560%0.602SS**  trans-73.6-14.5-178.6-79.6-177176.2-179.40113.7D227 S230D227-K232 PolarHBondContact O-N 3.37Å; S230-K232 PolarHBondContact O-N 2.78Å; S230-K232 VanDerWaalsContact O-N 3.13Å
233R55.8Low68.1Low135 Ų135126.4 Ų126.451%0.50962%0.623SS.*SBendtrans-101.8111.3171.3-75.9178.3173.3-171.4-3.7109.9D227 G231 R235D227-R233 HydrophobicContact CB-CG 4.18Å; D227-R233 IonicContact OD2-NE 2.85Å; G231-R233 VanDerWaalsContact C-N 3.26Å; G231-R233 PolarHBondContact O-N 2.99Å; R233-R235 PolarHBondContact O-N 2.97Å
234K56.9Low66.8Low201 Ų201125.9 Ų125.987%0.87462%0.621SS**  trans-59108.7165.9-168.1166.9-177.41760107.5T236K234-T236 PolarHBondContact O-N 3.2Å; K234-T236 VanDerWaalsContact O-N 3.14Å
235R53.7Low65.8Low200 Ų200132.6 Ų132.676%0.75564%0.642SS**  trans-54.9117.6175.8-70.7177.4-179.8-169.22.8108.1R233 D237R233-R235 PolarHBondContact O-N 2.97Å; R235-D237 HydrophobicContact CB-CB 4.3Å; R235-D237 WeakPolarHBondContact CB-OD2 3.43Å; R235-D237 VanDerWaalsContact CD-OD2 3.32Å; R235-D237 WeakPolarHBondContact CD-OD2 3.35Å; R235-D237 PolarHBondContact O-N 2.93Å
236T56.7Low65Low138 Ų138132.9 Ų132.985%0.84765%0.649SS**  trans-84.748.2163.757.50000108.6K234 G238K234-T236 PolarHBondContact O-N 3.2Å; K234-T236 VanDerWaalsContact O-N 3.14Å; T236-G238 VanDerWaalsContact C-N 3.34Å; T236-G238 PolarHBondContact O-N 3.43Å; T236-G238 VanDerWaalsContact O-N 3.14Å
237D50.6Low64.1Low117 Ų117136.2 Ų136.263%0.62666%0.656SS**  trans-83.688.8173.9-68.6-30000106.3R235 E239R235-D237 HydrophobicContact CB-CB 4.3Å; R235-D237 WeakPolarHBondContact CB-OD2 3.43Å; R235-D237 VanDerWaalsContact CD-OD2 3.32Å; R235-D237 WeakPolarHBondContact CD-OD2 3.35Å; R235-D237 PolarHBondContact O-N 2.93Å; D237-E239 PolarHBondContact O-N 2.94Å
238G54.2Low63.5Low60 Ų60141.4 Ų141.462%0.61968%0.684SS**  trans-59.8124.3155.400000107.1T236 V240T236-G238 VanDerWaalsContact C-N 3.34Å; T236-G238 PolarHBondContact O-N 3.43Å; T236-G238 VanDerWaalsContact O-N 3.14Å; G238-V240 PolarHBondContact O-N 3.42Å
239E53.1Low63.5Low194 Ų194138.8 Ų138.891%0.90767%0.673SS**  trans-52104.7-180-69.7177.2155.600110.1D237 N241D237-E239 PolarHBondContact O-N 2.94Å; E239-N241 PolarHBondContact O-N 3.11Å
240V59.1Low63.5Low80 Ų80132.1 Ų132.149%0.48567%0.667SS.*  trans-72.7103.5174.1-169.70000106.6G238 E244 R245G238-V240 PolarHBondContact O-N 3.42Å; V240-E244 HydrophobicContact CG1-CB 3.83Å; V240-R245 PolarHBondContact O-NE 3.37Å
241N61.8Low63.3Low114 Ų114137.5 Ų137.561%0.6168%0.682SS**  trans-47.8137.5-178.9-146.6-38.8000109.8E239 R243 E244E239-N241 PolarHBondContact O-N 3.11Å; N241-R243 PolarHBondContact O-N 3.11Å; N241-E244 HydrophobicContact CB-CG 4.29Å; N241-E244 WeakPolarHBondContact O-CB 3.32Å; N241-E244 PolarHBondContact O-N 2.86Å
242E57.7Low63.4Low160 Ų160141.4 Ų141.475%0.74868%0.682SS**G310 helixtrans-52.3-29.7-172.7-102.1172-179.300113.4E244 R245E242-E244 VanDerWaalsContact C-N 3.26Å; E242-E244 PolarHBondContact O-N 3.06Å; E242-R245 PolarHBondContact O-N 2.98Å
243R61Low64.1Low229 Ų229136 Ų13686%0.86467%0.666SS**G310 helixtrans-72.7-12.2177.8-127.7163-172.7-167.70.4115.4N241N241-R243 PolarHBondContact O-N 3.11Å
244E64.1Low64.7Low99 Ų99136 Ų13646%0.46367%0.671SS.*G310 helixtrans-101.6-5179.2-57.9-171.5174.600112.7V240 N241 E242 P246 R261V240-E244 HydrophobicContact CG1-CB 3.83Å; N241-E244 HydrophobicContact CB-CG 4.29Å; N241-E244 WeakPolarHBondContact O-CB 3.32Å; N241-E244 PolarHBondContact O-N 2.86Å; E242-E244 VanDerWaalsContact C-N 3.26Å; E242-E244 PolarHBondContact O-N 3.06Å; E244-P246 WeakPolarHBondContact O-CD 3.46Å; E244-R261 IonicContact OE1-CZ 3.91Å; E244-R261 IonicContact OE1-NH2 2.66Å; E244-R261 PolarHBondContact OE1-NH2 3.47Å; E244-R261 IonicContact OE2-NH2 3.86Å; E244-R261 PolarHBondContact OE2-NH2 2.9Å
245R70.2Confident65.2Low162 Ų162132.2 Ų132.261%0.61166%0.66SS**SBendtrans-77.3121.7178.8-62.8-178.2179.2-153.6-0.1109.1V240 E242V240-R245 PolarHBondContact O-NE 3.37Å; E242-R245 PolarHBondContact O-N 2.98Å
246P69.8Low65.9Low110 Ų110124 Ų12471%0.71464%0.635SS**PPolyproline II helixtrans-66.3137.7179.424.8-31.1000110.7E244 N248E244-P246 WeakPolarHBondContact O-CD 3.46Å; P246-N248 PolarHBondContact O-N 2.92Å
247Y69.1Low66.3Low178 Ų178126.2 Ų126.270%0.69863%0.627SS**PPolyproline II helixtrans-72.3124.1176.5-170.8-110.6000110.2N249 A256Y247-N249 WeakPolarHBondContact CD1-OD1 3.27Å; Y247-N249 WeakPolarHBondContact CE1-OD1 3.37Å; Y247-N249 PolarHBondContact O-N 3.48Å; Y247-A256 WeakPolarHBondContact O-CB 3.29Å
248N75.4Confident66.8Low149 Ų149128.5 Ų128.580%0.79763%0.632SS**  trans-87.399-176-169.42.7000110.8P246P246-N248 PolarHBondContact O-N 2.92Å
249N77.6Confident67.1Low61 Ų61135.9 Ų135.933%0.32664%0.641SS.*  trans-97.7113175.9-86.2-29.9000111.5Y247 F251 A256Y247-N249 WeakPolarHBondContact CD1-OD1 3.27Å; Y247-N249 WeakPolarHBondContact CE1-OD1 3.37Å; Y247-N249 PolarHBondContact O-N 3.48Å; N249-F251 VanDerWaalsContact C-N 3.31Å; N249-F251 PolarHBondContact O-N 3.04Å; N249-A256 HydrophobicContact CB-CB 4.41Å
250A78.8Confident67.4Low86 Ų86134.6 Ų134.671%0.71164%0.635SS**SBendtrans-66.6-29.4178.900000113.7
251F73.3Confident67.3Low181 Ų181137.3 Ų137.379%0.79464%0.637SS**SBendtrans-93.6-19.8-173.7-64.4-80.8000113.8N249N249-F251 VanDerWaalsContact C-N 3.31Å; N249-F251 PolarHBondContact O-N 3.04Å
252F69.8Low67Low139 Ų139141.9 Ų141.961%0.6165%0.645SS**  trans-141.974.4-179.1-63.3-76.6000111.4E254 L255F252-E254 VanDerWaalsContact C-N 3.25Å; F252-E254 PolarHBondContact O-N 3.25Å; F252-L255 HydrophobicContact CB-CB 4.39Å; F252-L255 HydrophobicContact CB-CD1 3.93Å; F252-L255 HydrophobicContact CG-CD1 4.35Å; F252-L255 PolarHBondContact O-N 3.19Å
253P76.7Confident67Low64 Ų64139.6 Ų139.642%0.41664%0.638SS.*Hα-helixtrans-65.5-26-176.124.7-33.7000113.4L255 A256 R257P253-L255 VanDerWaalsContact C-N 3.33Å; P253-L255 PolarHBondContact O-N 3.34Å; P253-A256 PolarHBondContact O-N 3.49Å; P253-R257 VanDerWaalsContact O-CG 3.25Å; P253-R257 WeakPolarHBondContact O-CG 3.5Å; P253-R257 PolarHBondContact O-N 3.46Å; P253-R257 VanDerWaalsContact O-N 3.16Å
254E70.1Confident66.8Low134 Ų134137 Ų13763%0.62663%0.629SS**Hα-helixtrans-65.6-34.4177.5-68.6-58.3134.400112.8F252 R257F252-E254 VanDerWaalsContact C-N 3.25Å; F252-E254 PolarHBondContact O-N 3.25Å; E254-R257 IonicContact OE1-NH1 2.65Å
255L67Low66.4Low121 Ų121137.6 Ų137.663%0.63463%0.631SS**Hα-helixtrans-72.9-38.9176-88.7147.9000111.7F252 P253 R257 K258F252-L255 HydrophobicContact CB-CB 4.39Å; F252-L255 HydrophobicContact CB-CD1 3.93Å; F252-L255 HydrophobicContact CG-CD1 4.35Å; F252-L255 PolarHBondContact O-N 3.19Å; P253-L255 VanDerWaalsContact C-N 3.33Å; P253-L255 PolarHBondContact O-N 3.34Å; L255-R257 VanDerWaalsContact C-N 3.27Å; L255-R257 PolarHBondContact O-N 2.95Å; L255-K258 PolarHBondContact O-N 3.32Å
256A67Low65.9Low27 Ų27132.6 Ų132.622%0.22362%0.621CS.*Hα-helixtrans-67.1-26.5177.400000113.4Y247 N249 P253Y247-A256 WeakPolarHBondContact O-CB 3.29Å; N249-A256 HydrophobicContact CB-CB 4.41Å; P253-A256 PolarHBondContact O-N 3.49Å
257R65.5Low65.3Low185 Ų185136 Ų13670%0.69862%0.62SS**Hα-helixtrans-86.9-17.7-178.5-72.1171.3179.7179.4-0.7114.1P253 E254 L255 R259P253-R257 VanDerWaalsContact O-CG 3.25Å; P253-R257 WeakPolarHBondContact O-CG 3.5Å; P253-R257 PolarHBondContact O-N 3.46Å; P253-R257 VanDerWaalsContact O-N 3.16Å; E254-R257 IonicContact OE1-NH1 2.65Å; L255-R257 VanDerWaalsContact C-N 3.27Å; L255-R257 PolarHBondContact O-N 2.95Å; R257-R259 PolarHBondContact O-N 2.98Å; R257-R259 VanDerWaalsContact O-N 3.08Å
258K61.3Low64.7Low165 Ų165135.7 Ų135.772%0.71762%0.617SS**SBendtrans-68.9107.6176.2-86.1-176.6176.1-177.90109.6L255 Q260L255-K258 PolarHBondContact O-N 3.32Å; K258-Q260 PolarHBondContact O-N 2.86Å
259R60.8Low63.9Low216 Ų216133.5 Ų133.582%0.81561%0.606SS**  trans-62101.6174.7-75.3177.4172.5-106.3-0109.7R257 R261 R262R257-R259 PolarHBondContact O-N 2.98Å; R257-R259 VanDerWaalsContact O-N 3.08Å; R259-R261 PolarHBondContact O-N 2.71Å; R259-R262 PolarHBondContact O-N 3.01Å
260Q59.4Low63.2Low166 Ų166137 Ų13778%0.77662%0.62SS**THydrogen-bonded Turntrans-56.2-10.6173.4-79.6-122.7-35.100114.9K258 R262K258-Q260 PolarHBondContact O-N 2.86Å; Q260-R262 VanDerWaalsContact C-N 3.32Å; Q260-R262 PolarHBondContact O-N 3.45Å
261R57.2Low62.4Low138 Ų138138.3 Ų138.352%0.52161%0.614SS.*Hα-helixtrans-65.7-32.4177.8-76.8-148.8174.2-162.64.1113.6E244 R259 D263 R264 E265E244-R261 IonicContact OE1-CZ 3.91Å; E244-R261 IonicContact OE1-NH2 2.66Å; E244-R261 PolarHBondContact OE1-NH2 3.47Å; E244-R261 IonicContact OE2-NH2 3.86Å; E244-R261 PolarHBondContact OE2-NH2 2.9Å; R259-R261 PolarHBondContact O-N 2.71Å; R261-D263 VanDerWaalsContact C-N 3.3Å; R261-D263 PolarHBondContact O-N 2.83Å; R261-R264 PolarHBondContact O-N 3.37Å; R261-E265 PolarHBondContact O-N 3.02Å
262R55.8Low61.7Low209 Ų209136.7 Ų136.779%0.78961%0.613SS**Hα-helixtrans-68.2-30.5-172.4-157.5165.8-173.2167.80.3113.1R259 Q260 S266R259-R262 PolarHBondContact O-N 3.01Å; Q260-R262 VanDerWaalsContact C-N 3.32Å; Q260-R262 PolarHBondContact O-N 3.45Å; R262-S266 PolarHBondContact O-OG 3.37Å
263D56.9Low61.2Low113 Ų113138.7 Ų138.760%0.60462%0.621SS**Hα-helixtrans-84.2-17.1-179.5-56.3-30.7000112.6R261 S266 W267R261-D263 VanDerWaalsContact C-N 3.3Å; R261-D263 PolarHBondContact O-N 2.83Å; D263-S266 WeakPolarHBondContact CA-OG 3.37Å; D263-S266 PolarHBondContact O-OG 3.42Å; D263-W267 PolarHBondContact O-N 3.34Å
264R56.6Low59.8Low174 Ų174143.8 Ų143.866%0.65766%0.659SS**Hα-helixtrans-86.7-28.3-176.7-143.5179.7-176.5-154.8-3.2112.7R261 R268R261-R264 PolarHBondContact O-N 3.37Å; R264-R268 WeakPolarHBondContact O-CG 3.31Å
265E57.3Low59.3Low112 Ų112144.3 Ų144.352%0.52366%0.66SS.*Hα-helixtrans-80.4-37.7173.7-72.8159-171.900110.8R261 W267 R268 D269R261-E265 PolarHBondContact O-N 3.02Å; E265-W267 PolarHBondContact O-N 3.21Å; E265-R268 PolarHBondContact O-N 2.82Å; E265-D269 PolarHBondContact O-N 2.88Å
266S59.3Low58.9Low56 Ų56145.5 Ų145.539%0.39266%0.662SS.*Hα-helixtrans-63.7-39.1176.461.40000113.2R262 D263 R268 D269 E270R262-S266 PolarHBondContact O-OG 3.37Å; D263-S266 WeakPolarHBondContact CA-OG 3.37Å; D263-S266 PolarHBondContact O-OG 3.42Å; S266-R268 VanDerWaalsContact C-N 3.33Å; S266-R268 PolarHBondContact O-N 2.91Å; S266-D269 PolarHBondContact O-N 3.39Å; S266-E270 PolarHBondContact O-N 3.28Å
267W56.9Low58.4Low181 Ų181152.1 Ų152.169%0.68669%0.686SS**Hα-helixtrans-68.2-30.1177.2-117.255.6000113.5D263 E265 I271D263-W267 PolarHBondContact O-N 3.34Å; E265-W267 PolarHBondContact O-N 3.21Å; W267-I271 HydrophobicContact CE3-CD1 4Å; W267-I271 HydrophobicContact CZ3-CD1 4.38Å; W267-I271 WeakPolarHBondContact O-CD1 3.33Å; W267-I271 WeakPolarHBondContact O-CG1 3.38Å; W267-I271 PolarHBondContact O-N 2.94Å
268R56.1Low58Low172 Ų172150.2 Ų150.265%0.64969%0.685SS**Hα-helixtrans-71.8-38.8176.8-76.4179.7171.5-159.3-4.4111.7R264 E265 S266 E270 L272R264-R268 WeakPolarHBondContact O-CG 3.31Å; E265-R268 PolarHBondContact O-N 2.82Å; S266-R268 VanDerWaalsContact C-N 3.33Å; S266-R268 PolarHBondContact O-N 2.91Å; R268-E270 VanDerWaalsContact C-N 3.33Å; R268-L272 PolarHBondContact O-N 2.99Å
269D59.4Low57.8Low104 Ų104149.3 Ų149.356%0.55668%0.683SS**Hα-helixtrans-73.4-24.1-179.8-70.3-15.8000113.2E265 S266E265-D269 PolarHBondContact O-N 2.88Å; S266-D269 PolarHBondContact O-N 3.39Å
270E63Low57.6Low133 Ų133144.8 Ų144.862%0.62167%0.674SS**Hα-helixtrans-76.5-38.7174.6-107.8173174.200112.8S266 R268 L272 K273S266-E270 PolarHBondContact O-N 3.28Å; R268-E270 VanDerWaalsContact C-N 3.33Å; E270-L272 VanDerWaalsContact C-N 3.33Å; E270-L272 PolarHBondContact O-N 3.13Å; E270-K273 PolarHBondContact O-N 2.87Å
271I61.4Low57.5Low114 Ų114143.3 Ų143.359%0.58567%0.667SS**Hα-helixtrans-71.5-29.9180-64.6166.7000111.6W267 K273W267-I271 HydrophobicContact CE3-CD1 4Å; W267-I271 HydrophobicContact CZ3-CD1 4.38Å; W267-I271 WeakPolarHBondContact O-CD1 3.33Å; W267-I271 WeakPolarHBondContact O-CG1 3.38Å; W267-I271 PolarHBondContact O-N 2.94Å; I271-K273 PolarHBondContact O-N 3.17Å
272L58.6Low57.5Low147 Ų147143.7 Ų143.777%0.7768%0.679SS**THydrogen-bonded Turntrans-78.9-4.4175.9-82.1157000113.9R268 E270R268-L272 PolarHBondContact O-N 2.99Å; E270-L272 VanDerWaalsContact C-N 3.33Å; E270-L272 PolarHBondContact O-N 3.13Å
273K58.4Low57.6Low181 Ų181138.3 Ų138.379%0.78767%0.669SS**THydrogen-bonded Turntrans-108.40.8179.5-92175.3178168.10114.3E270 I271E270-K273 PolarHBondContact O-N 2.87Å; I271-K273 PolarHBondContact O-N 3.17Å
274S47.8Very low57.7Low172 Ų172140.5 Ų140.5100%1.20368%0.675SS**  trans-100.70172.7-63.70000111.9

Retrieved 274 of 274 residues in 50 ms (Link to these results)