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Catenin alpha-2

May function as a linker between cadherin adhesion receptors and the cytoskeleton to regulate cell-cell adhesion and differentiation in the nervous system (By similarity). Required for proper regulation of cortical neuronal migration and neurite growth1. It acts as a negative regulator of Arp2/3 complex activity and Arp2/3-mediated actin polymerization2. It thereby suppresses excessive actin branching which would impair neurite growth and stability3. Regulates morphological plasticity of synapses and cerebellar and hippocampal lamination during development. Functions in the control of startle modulation (By similarity).

AlphaFold DB , UniProt , Accession P26232, Species HUMAN (Homo sapiens, Human), Gene CTNNA2, Length 953 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
1M31.5Very low53.4Low243 Ų243110.8 Ų110.8100%1.19765%0.647SS**  0112.20-69.2-179.7171.100106.5S3M1-S3 PolarHBondContact O-N 2.76Å
2T33Very low54.4Low142 Ų142102.5 Ų102.587%0.87160%0.596SS**  trans-64.7102.9169.744.60000106.3A4T2-A4 PolarHBondContact O-N 3.13Å
3S40.1Very low55.4Low96 Ų96101.3 Ų101.367%0.67159%0.586SS**  trans-50.4117.6169.2-176.80000106.2M1 T5M1-S3 PolarHBondContact O-N 2.76Å; S3-T5 PolarHBondContact O-N 3.37Å
4A38.5Very low55.7Low92 Ų9296.6 Ų96.676%0.7656%0.561SS**  trans-64.689.1177.600000106.6T2 S6T2-A4 PolarHBondContact O-N 3.13Å; A4-S6 PolarHBondContact O-N 2.94Å
5T44.6Very low56.1Low89 Ų89102 Ų10255%0.54658%0.575SS.*  trans-60.6109.5179.831.60000107.9S3S3-T5 PolarHBondContact O-N 3.37Å
6S50.6Low56.9Low91 Ų9198.6 Ų98.664%0.63656%0.56SS**  trans-50.2128.7169.2-56.10000108.8A4 K154A4-S6 PolarHBondContact O-N 2.94Å; S6-K154 PolarHBondContact O-NZ 2.94Å
7P64.9Low57.6Low104 Ų10495.1 Ų95.168%0.67554%0.539SS*.  trans-60.9144.6179.722.6-30.7000110.1I9P7-I9 PolarHBondContact O-N 3.42Å; P7-I9 VanDerWaalsContact O-N 3.17Å
8I73Confident58.7Low58 Ų5895.2 Ų95.230%0.29753%0.534SS..  trans-66.5113.8171.8-63.5173.1000106.8L150I8-L150 HydrophobicContact CG2-CB 3.89Å; I8-L150 HydrophobicContact CG2-CD1 3.83Å
9I70Confident59.9Low128 Ų12891.3 Ų91.366%0.65651%0.512SS*.  trans-95.7109.7178.4-57.8175.2000107.9P7P7-I9 PolarHBondContact O-N 3.42Å; P7-I9 VanDerWaalsContact O-N 3.17Å
10L70.9Confident61.1Low41 Ų4188.6 Ų88.622%0.21549%0.493CS..  trans-78122.8171.3-161.790.7000109.3W12 M143 V146 M147 L150L10-W12 VanDerWaalsContact C-N 3.28Å; L10-W12 HydrophobicContact CD2-CB 4.02Å; L10-W12 HydrophobicContact CG-CB 4.23Å; L10-W12 PolarHBondContact O-N 3.39Å; L10-M143 HydrophobicContact CD2-CB 4.27Å; L10-M143 HydrophobicContact CD2-CE 3.14Å; L10-M143 HydrophobicContact CD2-CG 4.09Å; L10-M143 HydrophobicContact CD2-SD 4.42Å; L10-V146 HydrophobicContact CD1-CB 4.47Å; L10-V146 HydrophobicContact CD1-CG1 3.98Å; L10-M147 HydrophobicContact CD1-CG 3.81Å; L10-L150 HydrophobicContact CD1-CD1 4.24Å
11K70.6Confident62.4Low135 Ų13584.4 Ų84.459%0.58747%0.47SS*.  trans-87.19.5178.5-67.6178179.2175.80114Q259 T261K11-Q259 VanDerWaalsContact N-OE1 3.12Å; K11-T261 HydrophobicContact CB-CG2 3.56Å; K11-T261 HydrophobicContact CD-CG2 3.78Å; K11-T261 HydrophobicContact CG-CG2 4.34Å
12W65.4Low65.1Low11 Ų1175.1 Ų75.14%0.04243%0.425CS..  trans-108.1122.9-174.2-178.517.7000111.5L10 P14 R20 I139 D142 M143 V146L10-W12 VanDerWaalsContact C-N 3.28Å; L10-W12 HydrophobicContact CD2-CB 4.02Å; L10-W12 HydrophobicContact CG-CB 4.23Å; L10-W12 PolarHBondContact O-N 3.39Å; W12-P14 WeakPolarHBondContact O-CD 3.44Å; W12-R20 VanDerWaalsContact CD1-CZ 3.43Å; W12-R20 HydrophobicContact CZ2-CG 4.11Å; W12-I139 HydrophobicContact CH2-CG2 4.06Å; W12-I139 HydrophobicContact CZ2-CG2 3.71Å; W12-D142 HydrophobicContact CH2-CB 3.93Å; W12-D142 WeakPolarHBondContact CH2-OD2 3.47Å; W12-D142 HydrophobicContact CZ3-CB 4.16Å; W12-D142 WeakPolarHBondContact CZ3-OD2 3.21Å; W12-M143 HydrophobicContact CD2-CG 3.84Å; W12-M143 HydrophobicContact CD2-SD 4.5Å; W12-M143 HydrophobicContact CE3-CB 4.31Å; W12-M143 HydrophobicContact CE3-CG 3.26Å; W12-M143 HydrophobicContact CE3-SD 4.46Å; W12-M143 HydrophobicContact CH2-CG 3.94Å; W12-M143 HydrophobicContact CZ2-CG 4.46Å; W12-M143 HydrophobicContact CZ3-CB 4.21Å; W12-M143 HydrophobicContact CZ3-CG 3.32Å; W12-V146 HydrophobicContact CZ3-CG2 4.47Å
13D67.5Low67.6Low87 Ų8770.9 Ų70.947%0.46540%0.399SS..  trans-84.9115.7175.2-176.54.8000111.9K15 S16D13-K15 PolarHBondContact O-N 3.04Å; D13-K15 VanDerWaalsContact O-N 3.17Å; D13-K15 WeakPolarHBondContact OD1-CB 3.49Å; D13-K15 WeakPolarHBondContact OD1-CG 3.47Å; D13-K15 PolarHBondContact OD1-N 3.2Å; D13-S16 PolarHBondContact O-N 2.94Å; D13-S16 PolarHBondContact O-OG 3.06Å
14P59.1Low69.7Low35 Ų3566.7 Ų66.723%0.22737%0.369CS..G310 helixtrans-61.3-22176.221.7-30.7000113.7W12 S16 L17 L140 M143W12-P14 WeakPolarHBondContact O-CD 3.44Å; P14-S16 PolarHBondContact O-N 2.67Å; P14-L17 PolarHBondContact O-N 2.94Å; P14-L140 HydrophobicContact CB-CD2 4.4Å; P14-M143 HydrophobicContact CB-CE 3.98Å; P14-M143 HydrophobicContact CB-SD 3.65Å; P14-M143 HydrophobicContact CG-CE 3.9Å; P14-M143 HydrophobicContact CG-SD 4.26Å
15K62.2Low71.9Confident178 Ų17864 Ų6477%0.77434%0.341SS*.G310 helixtrans-71.4-19-178.1-62.8177.4-180176.20113.3D13 L17D13-K15 PolarHBondContact O-N 3.04Å; D13-K15 VanDerWaalsContact O-N 3.17Å; D13-K15 WeakPolarHBondContact OD1-CB 3.49Å; D13-K15 WeakPolarHBondContact OD1-CG 3.47Å; D13-K15 PolarHBondContact OD1-N 3.2Å; K15-L17 PolarHBondContact O-N 3.24Å
16S68.4Low73.8Confident48 Ų4867.9 Ų67.934%0.33635%0.346SS..G310 helixtrans-60.1-28.1176.7620000112.9D13 P14 E18 K948D13-S16 PolarHBondContact O-N 2.94Å; D13-S16 PolarHBondContact O-OG 3.06Å; P14-S16 PolarHBondContact O-N 2.67Å; S16-E18 PolarHBondContact O-N 2.97Å; S16-E18 PolarHBondContact OG-N 2.87Å; S16-K948 PolarHBondContact O-NZ 3.36Å
17L68.8Low75.3Confident39 Ų3967.9 Ų67.920%0.20434%0.338CS..  trans53.128.9-166.6-60.6175.2000113P14 K15 I19 T135 R136 I139P14-L17 PolarHBondContact O-N 2.94Å; K15-L17 PolarHBondContact O-N 3.24Å; L17-I19 PolarHBondContact O-N 3.33Å; L17-T135 HydrophobicContact CD2-CG2 4.2Å; L17-R136 HydrophobicContact CD2-CB 4.26Å; L17-I139 VanDerWaalsContact C-CD1 3.45Å; L17-I139 HydrophobicContact CB-CD1 4.19Å; L17-I139 HydrophobicContact CD2-CD1 4.05Å
18E77.8Confident76.1Confident97 Ų9763 Ų6345%0.45331%0.306SS..  trans-73.7123.1178-171.6-175.3-164.100110.7S16 R20S16-E18 PolarHBondContact O-N 2.97Å; S16-E18 PolarHBondContact OG-N 2.87Å; E18-R20 HydrophobicContact CG-CG 4.15Å; E18-R20 IonicContact OE2-CZ 3.45Å; E18-R20 VanDerWaalsContact OE2-CZ 3.28Å; E18-R20 IonicContact OE2-NE 3Å; E18-R20 PolarHBondContact OE2-NE 3.28Å; E18-R20 IonicContact OE2-NH2 3.14Å; E18-R20 PolarHBondContact OE2-NH2 3.42Å
19I82.2Confident76.4Confident21 Ų2163.5 Ų63.511%0.10831%0.307CS..  trans-90.1109.4177.8-64.3166.1000109.1L17 V24 E25 L28 V941 L944L17-I19 PolarHBondContact O-N 3.33Å; I19-V24 HydrophobicContact CB-CG1 4.45Å; I19-V24 HydrophobicContact CD1-CG1 4.44Å; I19-V24 HydrophobicContact CG1-CG1 4Å; I19-V24 HydrophobicContact CG2-CB 3.96Å; I19-V24 HydrophobicContact CG2-CG1 3.77Å; I19-E25 HydrophobicContact CG2-CB 4.29Å; I19-L28 HydrophobicContact CD1-CD1 3.47Å; I19-L28 VanDerWaalsContact CD1-CD1 3.47Å; I19-L28 HydrophobicContact CG1-CD1 4.35Å; I19-V941 HydrophobicContact CD1-CG2 4.12Å; I19-L944 HydrophobicContact CD1-CD1 3.85Å
20R83.7Confident76.7Confident36 Ų3660.8 Ų60.814%0.13630%0.298CS..  trans-100.1-12.5-175.6-64.1-179.3176.6-165.7-11.1114.6W12 E18 K198 Q259W12-R20 VanDerWaalsContact CD1-CZ 3.43Å; W12-R20 HydrophobicContact CZ2-CG 4.11Å; E18-R20 HydrophobicContact CG-CG 4.15Å; E18-R20 IonicContact OE2-CZ 3.45Å; E18-R20 VanDerWaalsContact OE2-CZ 3.28Å; E18-R20 IonicContact OE2-NE 3Å; E18-R20 PolarHBondContact OE2-NE 3.28Å; E18-R20 IonicContact OE2-NH2 3.14Å; E18-R20 PolarHBondContact OE2-NH2 3.42Å; R20-K198 WeakPolarHBondContact O-CB 3.34Å; R20-K198 PolarHBondContact O-N 2.84Å; R20-Q259 PolarHBondContact NH1-O 2.83Å
21T87.1Confident77Confident1 Ų159.8 Ų59.81%0.00629%0.292CS..BIsolated β-bridgetrans-122.8145.8-178.852.70000114.2T23 V24 E25 D142 E196T21-T23 PolarHBondContact O-N 2.91Å; T21-V24 PolarHBondContact O-N 3.45Å; T21-V24 VanDerWaalsContact OG1-CG2 3.29Å; T21-V24 WeakPolarHBondContact OG1-CG2 3.07Å; T21-E25 PolarHBondContact O-N 2.86Å; T21-D142 WeakPolarHBondContact CG2-OD1 3.5Å; T21-D142 PolarHBondContact OG1-OD1 3.4Å; T21-E196 CarbonylContact C-O 3.47Å; T21-E196 WeakPolarHBondContact CA-O 3.37Å; T21-E196 WeakPolarHBondContact CB-O 3.37Å; T21-E196 HydrophobicContact CG2-CB 4.05Å
22L87.8Confident77.3Confident48 Ų4853.4 Ų53.425%0.25127%0.265SS..Hα-helixtrans-61.9-32.5175.7-62.7172.9000111.6E25 R26 E196 K198L22-E25 PolarHBondContact O-N 2.99Å; L22-R26 WeakPolarHBondContact O-CB 3.26Å; L22-R26 VanDerWaalsContact O-CG 3.25Å; L22-R26 WeakPolarHBondContact O-CG 3.37Å; L22-R26 PolarHBondContact O-N 3.46Å; L22-E196 PolarHBondContact N-O 3.39Å; L22-K198 HydrophobicContact CD2-CG 4.46Å
23T86.3Confident77.8Confident53 Ų5356.3 Ų56.333%0.32528%0.284SS..Hα-helixtrans-64.3-46.2178.4-58.30000111.6T21 E25 R26 L27T21-T23 PolarHBondContact O-N 2.91Å; T23-E25 VanDerWaalsContact C-N 3.32Å; T23-E25 PolarHBondContact O-N 3.44Å; T23-R26 PolarHBondContact O-N 3.49Å; T23-L27 HydrophobicContact CG2-CD1 3.96Å; T23-L27 HydrophobicContact CG2-CG 4.41Å; T23-L27 WeakPolarHBondContact O-CB 3.45Å; T23-L27 VanDerWaalsContact O-CG 3.31Å; T23-L27 WeakPolarHBondContact O-CG 3.23Å; T23-L27 PolarHBondContact O-N 3.37Å
24V85.1Confident78Confident8 Ų854.6 Ų54.65%0.04827%0.273CS..Hα-helixtrans-61.7-42.5177171.30000110.7I19 T21 L27 L28 L138 D142I19-V24 HydrophobicContact CB-CG1 4.45Å; I19-V24 HydrophobicContact CD1-CG1 4.44Å; I19-V24 HydrophobicContact CG1-CG1 4Å; I19-V24 HydrophobicContact CG2-CB 3.96Å; I19-V24 HydrophobicContact CG2-CG1 3.77Å; T21-V24 PolarHBondContact O-N 3.45Å; T21-V24 VanDerWaalsContact OG1-CG2 3.29Å; T21-V24 WeakPolarHBondContact OG1-CG2 3.07Å; V24-L27 PolarHBondContact O-N 3.27Å; V24-L28 HydrophobicContact CG1-CD1 3.88Å; V24-L28 WeakPolarHBondContact O-CG 3.36Å; V24-L28 PolarHBondContact O-N 3.49Å; V24-L138 HydrophobicContact CG1-CB 3.88Å; V24-L138 HydrophobicContact CG1-CD1 4.24Å; V24-L138 HydrophobicContact CG2-CB 4.15Å; V24-D142 HydrophobicContact CG2-CB 4.35Å
25E83.1Confident78.6Confident37 Ų3753 Ų5317%0.17326%0.263CS..Hα-helixtrans-60.9-46.5176.3-174.4161.8-152.900112.1I19 T21 L22 T23 L27 L28 E29 K198 P940I19-E25 HydrophobicContact CG2-CB 4.29Å; T21-E25 PolarHBondContact O-N 2.86Å; L22-E25 PolarHBondContact O-N 2.99Å; T23-E25 VanDerWaalsContact C-N 3.32Å; T23-E25 PolarHBondContact O-N 3.44Å; E25-L27 PolarHBondContact O-N 3.03Å; E25-L28 PolarHBondContact O-N 2.81Å; E25-E29 PolarHBondContact O-N 3.38Å; E25-E29 VanDerWaalsContact O-N 3.16Å; E25-K198 VanDerWaalsContact CD-NZ 3.34Å; E25-K198 IonicContact OE1-NZ 2.96Å; E25-K198 PolarHBondContact OE1-NZ 3.3Å; E25-K198 IonicContact OE2-NZ 3.05Å; E25-K198 PolarHBondContact OE2-NZ 2.84Å; E25-P940 HydrophobicContact CG-CG 4.21Å
26R84.6Confident79.1Confident170 Ų17045.4 Ų45.464%0.64223%0.231SC*.Hα-helixtrans-63.8-36.9176.9-72.5171.5-176.7173.92.7113L22 T23 P30L22-R26 WeakPolarHBondContact O-CB 3.26Å; L22-R26 VanDerWaalsContact O-CG 3.25Å; L22-R26 WeakPolarHBondContact O-CG 3.37Å; L22-R26 PolarHBondContact O-N 3.46Å; T23-R26 PolarHBondContact O-N 3.49Å; R26-P30 WeakPolarHBondContact O-CD 3.45Å
27L82.4Confident79.2Confident91 Ų9146.4 Ų46.448%0.47624%0.235SC..Hα-helixtrans-72.8-31.1178.7-72.8174.1000112.7T23 V24 E25 L138T23-L27 HydrophobicContact CG2-CD1 3.96Å; T23-L27 HydrophobicContact CG2-CG 4.41Å; T23-L27 WeakPolarHBondContact O-CB 3.45Å; T23-L27 VanDerWaalsContact O-CG 3.31Å; T23-L27 WeakPolarHBondContact O-CG 3.23Å; T23-L27 PolarHBondContact O-N 3.37Å; V24-L27 PolarHBondContact O-N 3.27Å; E25-L27 PolarHBondContact O-N 3.03Å; L27-L138 HydrophobicContact CB-CD1 4.03Å; L27-L138 HydrophobicContact CB-CD2 4.29Å; L27-L138 HydrophobicContact CD1-CD2 3.73Å
28L82.5Confident79Confident0 Ų044.6 Ų44.60%023%0.226CC..Hα-helixtrans-76-30.1176.4-74.9169.2000113.1I19 V24 E25 L31 V32 V134 T135 L138 P940 L944I19-L28 HydrophobicContact CD1-CD1 3.47Å; I19-L28 VanDerWaalsContact CD1-CD1 3.47Å; I19-L28 HydrophobicContact CG1-CD1 4.35Å; V24-L28 HydrophobicContact CG1-CD1 3.88Å; V24-L28 WeakPolarHBondContact O-CG 3.36Å; V24-L28 PolarHBondContact O-N 3.49Å; E25-L28 PolarHBondContact O-N 2.81Å; L28-L31 PolarHBondContact O-N 2.88Å; L28-V32 HydrophobicContact CB-CG2 4.47Å; L28-V32 WeakPolarHBondContact O-CG2 3.41Å; L28-V32 PolarHBondContact O-N 3.21Å; L28-V134 HydrophobicContact CD2-CG1 3.78Å; L28-T135 HydrophobicContact CD1-CG2 4.24Å; L28-L138 HydrophobicContact CD1-CD1 4.37Å; L28-L138 HydrophobicContact CD2-CD1 3.7Å; L28-L138 HydrophobicContact CG-CD1 3.6Å; L28-P940 HydrophobicContact CB-CB 3.98Å; L28-L944 HydrophobicContact CD1-CD1 4.36Å
29E79Confident78.6Confident70 Ų7041 Ų4133%0.32721%0.21SC..Hα-helixtrans-52.5-46-173.1-174.5178.3-168.500114.9E25 L31 T33 H937 P940E25-E29 PolarHBondContact O-N 3.38Å; E25-E29 VanDerWaalsContact O-N 3.16Å; E29-L31 PolarHBondContact O-N 2.92Å; E29-T33 VanDerWaalsContact O-CB 3.28Å; E29-T33 WeakPolarHBondContact O-CB 3.13Å; E29-T33 PolarHBondContact O-N 3.18Å; E29-T33 PolarHBondContact O-OG1 3.1Å; E29-H937 IonicContact OE1-CD2 2.66Å; E29-H937 IonicContact OE1-CE1 3.59Å; E29-H937 IonicContact OE1-NE2 2.74Å; E29-H937 PolarHBondContact OE1-NE2 3Å; E29-P940 HydrophobicContact CB-CG 3.84Å; E29-P940 HydrophobicContact CG-CG 4.36Å
30P77.1Confident77.8Confident71 Ų7143.7 Ų43.746%0.46123%0.225SC..Hα-helixtrans-63.9-43.2178.5-22.334000112.9R26 T33 Q34R26-P30 WeakPolarHBondContact O-CD 3.45Å; P30-T33 PolarHBondContact O-N 3.26Å; P30-Q34 WeakPolarHBondContact O-CB 3.34Å; P30-Q34 VanDerWaalsContact O-CG 3.24Å; P30-Q34 WeakPolarHBondContact O-CG 3.44Å; P30-Q34 PolarHBondContact O-N 2.96Å
31L76.1Confident76.4Confident19 Ų1945 Ų4510%0.09924%0.237CC..Hα-helixtrans-69.1-44.8-177.8-173.766.2000110.8L28 E29 T33 Q34 V35 L131 V134L28-L31 PolarHBondContact O-N 2.88Å; E29-L31 PolarHBondContact O-N 2.92Å; L31-T33 VanDerWaalsContact C-N 3.31Å; L31-T33 PolarHBondContact O-N 2.77Å; L31-Q34 PolarHBondContact O-N 2.94Å; L31-V35 HydrophobicContact CD1-CG2 4.36Å; L31-V35 HydrophobicContact CG-CG2 4.43Å; L31-V35 WeakPolarHBondContact O-CB 3.41Å; L31-V35 WeakPolarHBondContact O-CG2 3.33Å; L31-V35 PolarHBondContact O-N 3.4Å; L31-L131 HydrophobicContact CB-CD2 4.39Å; L31-L131 HydrophobicContact CD2-CD2 3.79Å; L31-L131 HydrophobicContact CG-CD2 3.76Å; L31-V134 HydrophobicContact CD2-CB 3.93Å; L31-V134 HydrophobicContact CD2-CG1 3.77Å; L31-V134 HydrophobicContact CD2-CG2 3.7Å
32V78.1Confident74.5Confident2 Ų247 Ų471%0.01225%0.251CS..Hα-helixtrans-58.2-45.4174170.50000110.6L28 Q34 T36 L131 P940 A943L28-V32 HydrophobicContact CB-CG2 4.47Å; L28-V32 WeakPolarHBondContact O-CG2 3.41Å; L28-V32 PolarHBondContact O-N 3.21Å; V32-Q34 PolarHBondContact O-N 3.4Å; V32-T36 WeakPolarHBondContact O-CB 3.44Å; V32-T36 PolarHBondContact O-N 3.27Å; V32-T36 PolarHBondContact O-OG1 2.7Å; V32-L131 HydrophobicContact CG2-CD2 3.91Å; V32-P940 HydrophobicContact CG2-CB 4.14Å; V32-A943 HydrophobicContact CG1-CB 3.38Å
33T74.8Confident72.3Confident71 Ų7149.7 Ų49.744%0.43627%0.266SS..Hα-helixtrans-62.8-44.3179.5-60.90000111.8E29 P30 L31 T37E29-T33 VanDerWaalsContact O-CB 3.28Å; E29-T33 WeakPolarHBondContact O-CB 3.13Å; E29-T33 PolarHBondContact O-N 3.18Å; E29-T33 PolarHBondContact O-OG1 3.1Å; P30-T33 PolarHBondContact O-N 3.26Å; L31-T33 VanDerWaalsContact C-N 3.31Å; L31-T33 PolarHBondContact O-N 2.77Å; T33-T37 VanDerWaalsContact O-CB 3.32Å; T33-T37 WeakPolarHBondContact O-CB 3.48Å; T33-T37 PolarHBondContact O-N 3.34Å; T33-T37 PolarHBondContact O-OG1 3.38Å
34Q71.9Confident70.2Confident52 Ų5254.5 Ų54.524%0.24328%0.282CS..Hα-helixtrans-66.7-48.7179.7-72.5175.521.200112.1P30 L31 V32 T36 T37 L38 V64P30-Q34 WeakPolarHBondContact O-CB 3.34Å; P30-Q34 VanDerWaalsContact O-CG 3.24Å; P30-Q34 WeakPolarHBondContact O-CG 3.44Å; P30-Q34 PolarHBondContact O-N 2.96Å; L31-Q34 PolarHBondContact O-N 2.94Å; V32-Q34 PolarHBondContact O-N 3.4Å; Q34-T36 PolarHBondContact O-N 3.36Å; Q34-T37 PolarHBondContact O-N 2.88Å; Q34-L38 PolarHBondContact O-N 3.03Å; Q34-V64 HydrophobicContact CB-CG2 4.38Å
35V71.8Confident68Low2 Ų256.9 Ų56.91%0.01231%0.308CS..Hα-helixtrans-59.6-48176.81660000110.6L31 T37 L38 V39 A127 L131L31-V35 HydrophobicContact CD1-CG2 4.36Å; L31-V35 HydrophobicContact CG-CG2 4.43Å; L31-V35 WeakPolarHBondContact O-CB 3.41Å; L31-V35 WeakPolarHBondContact O-CG2 3.33Å; L31-V35 PolarHBondContact O-N 3.4Å; V35-T37 VanDerWaalsContact C-N 3.28Å; V35-T37 PolarHBondContact O-N 3.49Å; V35-L38 PolarHBondContact O-N 3.13Å; V35-V39 HydrophobicContact CG1-CG2 4.29Å; V35-V39 WeakPolarHBondContact O-CB 3.5Å; V35-V39 VanDerWaalsContact O-CG2 3.28Å; V35-V39 WeakPolarHBondContact O-CG2 3.42Å; V35-V39 PolarHBondContact O-N 3.19Å; V35-A127 HydrophobicContact CG1-CB 3.62Å; V35-A127 HydrophobicContact CG2-CB 4.42Å; V35-L131 HydrophobicContact CB-CD1 4.25Å; V35-L131 HydrophobicContact CG1-CD1 3.8Å; V35-L131 HydrophobicContact CG1-CG 4.46Å; V35-L131 HydrophobicContact CG2-CD1 4.5Å; V35-L131 HydrophobicContact CG2-CD2 4.37Å; V35-L131 HydrophobicContact CG2-CG 4.34Å
36T72.5Confident65.8Low18 Ų1861.8 Ų61.811%0.1134%0.343CS..Hα-helixtrans-63.2-36179.6-58.30000111.7V32 Q34 N40 I938V32-T36 WeakPolarHBondContact O-CB 3.44Å; V32-T36 PolarHBondContact O-N 3.27Å; V32-T36 PolarHBondContact O-OG1 2.7Å; Q34-T36 PolarHBondContact O-N 3.36Å; T36-N40 VanDerWaalsContact CG2-ND2 3.3Å; T36-N40 WeakPolarHBondContact CG2-ND2 3.47Å; T36-N40 VanDerWaalsContact O-CB 3.23Å; T36-N40 WeakPolarHBondContact O-CB 3.44Å; T36-N40 VanDerWaalsContact O-CG 3.3Å; T36-N40 PolarHBondContact O-N 3.14Å; T36-N40 VanDerWaalsContact O-N 3.14Å; T36-N40 PolarHBondContact O-ND2 3.1Å; T36-I938 HydrophobicContact CG2-CD1 3.95Å
37T69.6Low63.8Low68 Ų6857 Ų5742%0.41734%0.336SS..Hα-helixtrans-66.4-46.7175.4-59.50000111.4T33 Q34 V35 N40 T41T33-T37 VanDerWaalsContact O-CB 3.32Å; T33-T37 WeakPolarHBondContact O-CB 3.48Å; T33-T37 PolarHBondContact O-N 3.34Å; T33-T37 PolarHBondContact O-OG1 3.38Å; Q34-T37 PolarHBondContact O-N 2.88Å; V35-T37 VanDerWaalsContact C-N 3.28Å; V35-T37 PolarHBondContact O-N 3.49Å; T37-N40 PolarHBondContact O-N 3.05Å; T37-T41 WeakPolarHBondContact O-CG2 3.4Å; T37-T41 PolarHBondContact O-N 3.48Å
38L66Low62Low2 Ų256.9 Ų56.91%0.0136%0.357CS..Hα-helixtrans-64-39.8179.1-178.865.3000112.4Q34 V35 N40 T41 L60 V64 M103 M123Q34-L38 PolarHBondContact O-N 3.03Å; V35-L38 PolarHBondContact O-N 3.13Å; L38-N40 VanDerWaalsContact C-N 3.34Å; L38-N40 PolarHBondContact O-N 3.44Å; L38-T41 PolarHBondContact O-OG1 2.88Å; L38-L60 HydrophobicContact CD1-CB 3.79Å; L38-L60 HydrophobicContact CD1-CD1 4.02Å; L38-V64 HydrophobicContact CD2-CG2 4.4Å; L38-M103 HydrophobicContact CD2-CE 3.72Å; L38-M123 HydrophobicContact CD1-SD 4.25Å; L38-M123 HydrophobicContact CD2-CG 4.5Å; L38-M123 HydrophobicContact CD2-SD 3.75Å; L38-M123 HydrophobicContact CG-SD 3.68Å
39V67.9Low60Low20 Ų2065.3 Ų65.312%0.12139%0.393CS..Hα-helixtrans-69.6-32.2177.9171.80000112.1V35 R120 V124V35-V39 HydrophobicContact CG1-CG2 4.29Å; V35-V39 WeakPolarHBondContact O-CB 3.5Å; V35-V39 VanDerWaalsContact O-CG2 3.28Å; V35-V39 WeakPolarHBondContact O-CG2 3.42Å; V35-V39 PolarHBondContact O-N 3.19Å; V39-R120 PolarHBondContact O-NH2 3.41Å; V39-V124 HydrophobicContact CG1-CG2 3.82Å; V39-V124 HydrophobicContact CG2-CG2 4.01Å
40N65.6Low58Low79 Ų7971.7 Ų71.742%0.42242%0.42SS..Hα-helixtrans-89.5-8.6-176.1-76.1-42000115.1T36 T37 L38 S42 N43T36-N40 VanDerWaalsContact CG2-ND2 3.3Å; T36-N40 WeakPolarHBondContact CG2-ND2 3.47Å; T36-N40 VanDerWaalsContact O-CB 3.23Å; T36-N40 WeakPolarHBondContact O-CB 3.44Å; T36-N40 VanDerWaalsContact O-CG 3.3Å; T36-N40 PolarHBondContact O-N 3.14Å; T36-N40 VanDerWaalsContact O-N 3.14Å; T36-N40 PolarHBondContact O-ND2 3.1Å; T37-N40 PolarHBondContact O-N 3.05Å; L38-N40 VanDerWaalsContact C-N 3.34Å; L38-N40 PolarHBondContact O-N 3.44Å; N40-S42 PolarHBondContact O-N 3.4Å; N40-S42 VanDerWaalsContact O-N 3.1Å; N40-N43 PolarHBondContact O-N 3.07Å
41T54.6Low56.2Low64 Ų6479 Ų7939%0.39345%0.445SS..THydrogen-bonded Turntrans-60.8-19.9-177.933.40000115.2T37 L38 L60T37-T41 WeakPolarHBondContact O-CG2 3.4Å; T37-T41 PolarHBondContact O-N 3.48Å; L38-T41 PolarHBondContact O-OG1 2.88Å; T41-L60 HydrophobicContact CG2-CD1 4.19Å
42S46.8Very low54.6Low41 Ų4181.1 Ų81.129%0.28747%0.47SS..THydrogen-bonded Turntrans-118.7-3.3-178.862.80000115.9N40 K44 R120N40-S42 PolarHBondContact O-N 3.4Å; N40-S42 VanDerWaalsContact O-N 3.1Å; S42-K44 PolarHBondContact O-N 3.48Å; S42-K44 VanDerWaalsContact O-N 3.1Å; S42-R120 PolarHBondContact OG-NE 3.42Å
43N43.2Very low53Low106 Ų10692.6 Ų92.657%0.56751%0.514SS*.SBendtrans-66-13.5176-105.11.1000113.4N40 R120N40-N43 PolarHBondContact O-N 3.07Å; N43-R120 VanDerWaalsContact OD1-CZ 3.27Å; N43-R120 PolarHBondContact OD1-NH1 2.86Å; N43-R120 PolarHBondContact OD1-NH2 3.41Å
44K42Very low52Low154 Ų15493.9 Ų93.967%0.6753%0.526SS*.SBendtrans-100.5104.2169.5-62-179-177177.70105.8S42S42-K44 PolarHBondContact O-N 3.48Å; S42-K44 VanDerWaalsContact O-N 3.1Å
45G39.3Very low51.5Low58 Ų5897.8 Ų97.860%0.59854%0.542SS*.SBendtrans-43.9155158.100000109.7S47G45-S47 WeakPolarHBondContact O-CA 3.35Å; G45-S47 PolarHBondContact O-N 3.06Å
46P36.1Very low51.6Low139 Ų139105.5 Ų105.590%0.90358%0.575SS**SBendtrans-45.699.7-158.818.5-31.2000110.5G48P46-G48 PolarHBondContact O-N 3.29Å
47S42.9Very low51.7Low69 Ų69105.9 Ų105.948%0.48358%0.58SS.*  trans-69.2120.4-175.3179.90000106G45 K49G45-S47 WeakPolarHBondContact O-CA 3.35Å; G45-S47 PolarHBondContact O-N 3.06Å; S47-K49 PolarHBondContact O-N 3.24Å
48G44.1Very low52.3Low89 Ų89107.2 Ų107.292%0.91858%0.582SS**SBendtrans-63.318.2176.500000114.9P46P46-G48 PolarHBondContact O-N 3.29Å
49K40.2Very low53.2Low177 Ų177110.6 Ų110.677%0.7760%0.602SS**SBendtrans-93123.8172.6-66.5-168.9176.8-172.90108.3S47 K51S47-K49 PolarHBondContact O-N 3.24Å; K49-K51 PolarHBondContact O-N 2.97Å
50K38Very low53.8Low205 Ų205110.6 Ų110.689%0.89160%0.601SS**  trans-18.4125.8177.6-71.5179.5176.5177.80112.5G52K50-G52 PolarHBondContact O-N 3.46Å
51K38.5Very low54.6Low225 Ų225107.3 Ų107.398%0.97859%0.585SS**  trans-50.268.9174.3-165.6178.1-176.1178.20111.6K49 R53K49-K51 PolarHBondContact O-N 2.97Å; K51-R53 PolarHBondContact O-N 2.66Å
52G41.8Very low56.2Low62 Ų62106.7 Ų106.764%0.63959%0.586SS**  trans-10282-174.700000108.5K50 S54K50-G52 PolarHBondContact O-N 3.46Å; G52-S54 PolarHBondContact O-N 3.22Å
53R44.6Very low58Low243 Ų243106.2 Ų106.292%0.91758%0.583SS**  trans40.449.4152.3-143.6-179-168.4-170.33.4116.4K51 K55K51-R53 PolarHBondContact O-N 2.66Å; R53-K55 PolarHBondContact O-N 3.4Å
54S54.4Low60Low99 Ų99101.4 Ų101.469%0.69256%0.557SS**PPolyproline II helixtrans-55.3129.9152.6-66.50000106.8G52 K56G52-S54 PolarHBondContact O-N 3.22Å; S54-K56 PolarHBondContact O-N 3.5Å
55K61.8Low62.1Low134 Ų13498.5 Ų98.558%0.58355%0.546SS*.PPolyproline II helixtrans-50.8135.6174.4-71.5-179.4178-177.70107.7R53 A57 V59 L60R53-K55 PolarHBondContact O-N 3.4Å; K55-A57 PolarHBondContact O-N 3.2Å; K55-V59 HydrophobicContact CB-CB 4.32Å; K55-V59 HydrophobicContact CB-CG1 4.23Å; K55-V59 HydrophobicContact CD-CG1 4.17Å; K55-V59 HydrophobicContact CG-CG1 4.41Å; K55-L60 HydrophobicContact CB-CD2 3.96Å; K55-L60 HydrophobicContact CB-CG 3.98Å; K55-L60 HydrophobicContact CD-CD2 3.89Å
56K73.3Confident64.5Low164 Ų164101.8 Ų101.871%0.71355%0.546SS*.PPolyproline II helixtrans-53.1143.4176.8-67.7-177.7176.1-177.30108.6S54 H58 V59 L60S54-K56 PolarHBondContact O-N 3.5Å; K56-H58 PolarHBondContact O-N 3.2Å; K56-H58 VanDerWaalsContact O-N 3.15Å; K56-V59 HydrophobicContact CB-CG2 4.08Å; K56-V59 WeakPolarHBondContact O-CA 3.48Å; K56-V59 WeakPolarHBondContact O-CB 3.12Å; K56-V59 PolarHBondContact O-N 3.32Å; K56-L60 PolarHBondContact O-N 2.99Å
57A74.5Confident66.9Low26 Ų2696.7 Ų96.722%0.21552%0.516CS..Hα-helixtrans-51.5-41.2-178.500000112.2K55 V59 L60 A61 A111K55-A57 PolarHBondContact O-N 3.2Å; A57-V59 VanDerWaalsContact C-N 3.3Å; A57-V59 PolarHBondContact O-N 3.38Å; A57-L60 PolarHBondContact O-N 3.28Å; A57-L60 VanDerWaalsContact O-N 3.12Å; A57-A61 PolarHBondContact O-N 3.08Å; A57-A111 HydrophobicContact CB-CB 3.67Å
58H83.1Confident69Low96 Ų9693.8 Ų93.844%0.44450%0.495SS..Hα-helixtrans-59.1-33.6173.3-62.2-70.4000114.6K56 A62 A111 D112K56-H58 PolarHBondContact O-N 3.2Å; K56-H58 VanDerWaalsContact O-N 3.15Å; H58-A62 VanDerWaalsContact O-CB 3.28Å; H58-A62 WeakPolarHBondContact O-CB 3.49Å; H58-A62 PolarHBondContact O-N 3.12Å; H58-A111 WeakPolarHBondContact ND1-CB 3.4Å; H58-D112 IonicContact CE1-OD1 3.4Å; H58-D112 PolarHBondContact CE1-OD1 3.27Å; H58-D112 VanDerWaalsContact CE1-OD1 3.28Å; H58-D112 IonicContact NE2-OD1 2.74Å
59V84.1Confident71.2Confident73 Ų7394.2 Ų94.244%0.44247%0.473SS..Hα-helixtrans-71.4-36177.2176.60000110.7K55 K56 A57 S63K55-V59 HydrophobicContact CB-CB 4.32Å; K55-V59 HydrophobicContact CB-CG1 4.23Å; K55-V59 HydrophobicContact CD-CG1 4.17Å; K55-V59 HydrophobicContact CG-CG1 4.41Å; K56-V59 HydrophobicContact CB-CG2 4.08Å; K56-V59 WeakPolarHBondContact O-CA 3.48Å; K56-V59 WeakPolarHBondContact O-CB 3.12Å; K56-V59 PolarHBondContact O-N 3.32Å; A57-V59 VanDerWaalsContact C-N 3.3Å; A57-V59 PolarHBondContact O-N 3.38Å; V59-S63 WeakPolarHBondContact O-CB 3.45Å; V59-S63 PolarHBondContact O-N 3.47Å
60L80.1Confident73.5Confident19 Ų1989.4 Ų89.410%0.09946%0.456CS..Hα-helixtrans-71.4-42.4174.4-66.4176.4000111.2L38 T41 K55 K56 A57 S63 V64L38-L60 HydrophobicContact CD1-CB 3.79Å; L38-L60 HydrophobicContact CD1-CD1 4.02Å; T41-L60 HydrophobicContact CG2-CD1 4.19Å; K55-L60 HydrophobicContact CB-CD2 3.96Å; K55-L60 HydrophobicContact CB-CG 3.98Å; K55-L60 HydrophobicContact CD-CD2 3.89Å; K56-L60 PolarHBondContact O-N 2.99Å; A57-L60 PolarHBondContact O-N 3.28Å; A57-L60 VanDerWaalsContact O-N 3.12Å; L60-S63 WeakPolarHBondContact O-CB 3.49Å; L60-S63 PolarHBondContact O-N 3.29Å; L60-V64 WeakPolarHBondContact O-CG2 3.35Å; L60-V64 PolarHBondContact O-N 3.27Å
61A83.9Confident76Confident11 Ų1181.5 Ų81.59%0.09142%0.422CS..Hα-helixtrans-58.4-49.3174.900000111.5A57 S63 V64 E65A57-A61 PolarHBondContact O-N 3.08Å; A61-S63 VanDerWaalsContact C-N 3.29Å; A61-S63 PolarHBondContact O-N 2.88Å; A61-V64 PolarHBondContact O-N 3.44Å; A61-E65 PolarHBondContact O-N 2.86Å
62A86.7Confident78.6Confident50 Ų5071.1 Ų71.141%0.41338%0.377SS..Hα-helixtrans-61.9-34.7175.600000112.7H58 Q66H58-A62 VanDerWaalsContact O-CB 3.28Å; H58-A62 WeakPolarHBondContact O-CB 3.49Å; H58-A62 PolarHBondContact O-N 3.12Å; A62-Q66 WeakPolarHBondContact O-CB 3.35Å; A62-Q66 PolarHBondContact O-N 3Å
63S85.1Confident80.9Confident32 Ų3273.1 Ų73.122%0.22437%0.37CS..Hα-helixtrans-66.9-40.1175.2-174.90000112.3V59 L60 A61 A67V59-S63 WeakPolarHBondContact O-CB 3.45Å; V59-S63 PolarHBondContact O-N 3.47Å; L60-S63 WeakPolarHBondContact O-CB 3.49Å; L60-S63 PolarHBondContact O-N 3.29Å; A61-S63 VanDerWaalsContact C-N 3.29Å; A61-S63 PolarHBondContact O-N 2.88Å; S63-A67 VanDerWaalsContact O-CB 3.27Å; S63-A67 WeakPolarHBondContact O-CB 3.43Å; S63-A67 PolarHBondContact O-N 2.92Å
64V84.5Confident83Confident4 Ų468.3 Ų68.32%0.02436%0.355CS..Hα-helixtrans-67.5-42.4176.2172.30000110.2Q34 L38 L60 A61 A67 T68 M103 L130Q34-V64 HydrophobicContact CB-CG2 4.38Å; L38-V64 HydrophobicContact CD2-CG2 4.4Å; L60-V64 WeakPolarHBondContact O-CG2 3.35Å; L60-V64 PolarHBondContact O-N 3.27Å; A61-V64 PolarHBondContact O-N 3.44Å; V64-A67 PolarHBondContact O-N 3.37Å; V64-T68 WeakPolarHBondContact O-CB 3.4Å; V64-T68 PolarHBondContact O-N 3.41Å; V64-T68 PolarHBondContact O-OG1 3.33Å; V64-M103 HydrophobicContact CG1-CE 4.21Å; V64-M103 HydrophobicContact CG1-CG 3.93Å; V64-L130 HydrophobicContact CG1-CD2 4.37Å
65E87.5Confident84.7Confident94 Ų9464 Ų6444%0.43933%0.326SS..Hα-helixtrans-58.8-51.4175-177.7178.3-177.700111.2A61 A67 T68 Q69 R104A61-E65 PolarHBondContact O-N 2.86Å; E65-A67 PolarHBondContact O-N 2.76Å; E65-T68 PolarHBondContact O-N 2.62Å; E65-Q69 WeakPolarHBondContact O-CB 3.3Å; E65-Q69 PolarHBondContact O-N 3.37Å; E65-R104 HydrophobicContact CB-CG 4.49Å; E65-R104 HydrophobicContact CG-CG 4.08Å; E65-R104 VanDerWaalsContact OE1-CD 3.24Å; E65-R104 WeakPolarHBondContact OE1-CD 3.36Å
66Q88.5Confident86.2Confident127 Ų12761.6 Ų61.659%0.59332%0.317SS*.Hα-helixtrans-61.7-42.4177.9-172.8-178.715.100112.4A62 T68 Q69 N70A62-Q66 WeakPolarHBondContact O-CB 3.35Å; A62-Q66 PolarHBondContact O-N 3Å; Q66-T68 VanDerWaalsContact C-N 3.33Å; Q66-T68 PolarHBondContact O-N 3.45Å; Q66-Q69 PolarHBondContact O-N 3.05Å; Q66-N70 WeakPolarHBondContact O-CB 3.26Å; Q66-N70 VanDerWaalsContact O-CG 3.22Å; Q66-N70 PolarHBondContact O-N 3.06Å; Q66-N70 PolarHBondContact O-ND2 3.17Å
67A86.5Confident87Confident31 Ų3159 Ų5926%0.25631%0.307SS..Hα-helixtrans-64-39.9177.400000111.9S63 V64 E65 F71S63-A67 VanDerWaalsContact O-CB 3.27Å; S63-A67 WeakPolarHBondContact O-CB 3.43Å; S63-A67 PolarHBondContact O-N 2.92Å; V64-A67 PolarHBondContact O-N 3.37Å; E65-A67 PolarHBondContact O-N 2.76Å; A67-F71 VanDerWaalsContact O-CB 3.31Å; A67-F71 WeakPolarHBondContact O-CB 3.47Å; A67-F71 PolarHBondContact O-N 3.29Å
68T88.1Confident87.6Confident9 Ų961.9 Ų61.96%0.05532%0.318CS..Hα-helixtrans-66.8-42.4176.9-53.10000110.9V64 E65 Q66 F71 L72 V96 L130V64-T68 WeakPolarHBondContact O-CB 3.4Å; V64-T68 PolarHBondContact O-N 3.41Å; V64-T68 PolarHBondContact O-OG1 3.33Å; E65-T68 PolarHBondContact O-N 2.62Å; Q66-T68 VanDerWaalsContact C-N 3.33Å; Q66-T68 PolarHBondContact O-N 3.45Å; T68-F71 WeakPolarHBondContact O-CB 3.15Å; T68-F71 PolarHBondContact O-N 3.43Å; T68-L72 HydrophobicContact CG2-CD1 4.31Å; T68-L72 WeakPolarHBondContact O-CG 3.46Å; T68-L72 PolarHBondContact O-N 3.29Å; T68-V96 HydrophobicContact CG2-CG1 4.48Å; T68-L130 HydrophobicContact CG2-CD1 4.08Å
69Q90.5Very high88Confident97 Ų9757.5 Ų57.545%0.45330%0.298SS..Hα-helixtrans-63.2-47.9177.4-173.858.231.600112.1E65 Q66 F71 L72 E73E65-Q69 WeakPolarHBondContact O-CB 3.3Å; E65-Q69 PolarHBondContact O-N 3.37Å; Q66-Q69 PolarHBondContact O-N 3.05Å; Q69-F71 PolarHBondContact O-N 3.02Å; Q69-L72 PolarHBondContact O-N 3.26Å; Q69-L72 VanDerWaalsContact O-N 3.17Å; Q69-E73 WeakPolarHBondContact O-CG 3.38Å; Q69-E73 PolarHBondContact O-N 3.4Å
70N89.2Confident88.3Confident77 Ų7761.8 Ų61.841%0.41231%0.311SS..Hα-helixtrans-60.7-34.5175.6-69.6-16.3000112.3Q66 K74Q66-N70 WeakPolarHBondContact O-CB 3.26Å; Q66-N70 VanDerWaalsContact O-CG 3.22Å; Q66-N70 PolarHBondContact O-N 3.06Å; Q66-N70 PolarHBondContact O-ND2 3.17Å; N70-K74 PolarHBondContact O-N 3.01Å
71F89.5Confident88.7Confident39 Ų3967.2 Ų67.217%0.17134%0.336CS..Hα-helixtrans-70.3-41.2176.4-178.7-93.7000111.6A67 T68 Q69 K74 G75 V96 V134 L137 L138A67-F71 VanDerWaalsContact O-CB 3.31Å; A67-F71 WeakPolarHBondContact O-CB 3.47Å; A67-F71 PolarHBondContact O-N 3.29Å; T68-F71 WeakPolarHBondContact O-CB 3.15Å; T68-F71 PolarHBondContact O-N 3.43Å; Q69-F71 PolarHBondContact O-N 3.02Å; F71-K74 PolarHBondContact O-N 2.77Å; F71-G75 PolarHBondContact O-N 3Å; F71-V96 HydrophobicContact CD1-CG1 3.97Å; F71-V96 HydrophobicContact CE1-CG1 4.09Å; F71-V96 HydrophobicContact CE1-CG2 4.28Å; F71-V134 HydrophobicContact CD1-CG2 4.12Å; F71-V134 HydrophobicContact CE1-CB 4.22Å; F71-V134 HydrophobicContact CE1-CG1 3.95Å; F71-V134 HydrophobicContact CE1-CG2 3.82Å; F71-V134 HydrophobicContact CE2-CG1 3.9Å; F71-V134 HydrophobicContact CZ-CB 4.29Å; F71-V134 HydrophobicContact CZ-CG1 3.6Å; F71-V134 HydrophobicContact CZ-CG2 4.35Å; F71-L137 HydrophobicContact CD1-CD2 4.5Å; F71-L137 HydrophobicContact CE1-CD2 3.52Å; F71-L137 HydrophobicContact CE1-CG 4.46Å; F71-L137 HydrophobicContact CZ-CB 4.45Å; F71-L137 HydrophobicContact CZ-CD2 3.81Å; F71-L137 HydrophobicContact CZ-CG 4.39Å; F71-L138 HydrophobicContact CE2-CD1 4.33Å; F71-L138 HydrophobicContact CE2-CD2 3.92Å; F71-L138 HydrophobicContact CE2-CG 4.08Å; F71-L138 HydrophobicContact CZ-CD2 4.18Å; F71-L138 HydrophobicContact CZ-CG 4.04Å
72L92.3Very high88.8Confident7 Ų767.8 Ų67.84%0.03734%0.339CS..Hα-helixtrans-61.6-45.8175.2-75.6169.1000111.9T68 Q69 K74 G75 E76 V93 V96 R97T68-L72 HydrophobicContact CG2-CD1 4.31Å; T68-L72 WeakPolarHBondContact O-CG 3.46Å; T68-L72 PolarHBondContact O-N 3.29Å; Q69-L72 PolarHBondContact O-N 3.26Å; Q69-L72 VanDerWaalsContact O-N 3.17Å; L72-K74 VanDerWaalsContact C-N 3.3Å; L72-K74 PolarHBondContact O-N 3.17Å; L72-G75 PolarHBondContact O-N 3.12Å; L72-G75 VanDerWaalsContact O-N 3.13Å; L72-E76 WeakPolarHBondContact O-CB 3.46Å; L72-E76 VanDerWaalsContact O-CG 3.31Å; L72-E76 WeakPolarHBondContact O-CG 3.5Å; L72-E76 PolarHBondContact O-N 3.46Å; L72-V93 HydrophobicContact CD2-CG1 4.06Å; L72-V96 HydrophobicContact CD2-CB 3.98Å; L72-V96 HydrophobicContact CD2-CG1 3.73Å; L72-V96 HydrophobicContact CG-CG1 4.23Å; L72-R97 HydrophobicContact CD1-CB 4.11Å; L72-R97 HydrophobicContact CD1-CG 4.1Å; L72-R97 HydrophobicContact CD2-CB 3.97Å
73E91.2Very high88.8Confident104 Ų10474.1 Ų74.149%0.48636%0.36SS..Hα-helixtrans-56.3-44.7177.8-72.7172.4-16900112Q69 Q77Q69-E73 WeakPolarHBondContact O-CG 3.38Å; Q69-E73 PolarHBondContact O-N 3.4Å; E73-Q77 PolarHBondContact O-N 3.09Å; E73-Q77 VanDerWaalsContact O-N 3.13Å
74K88.7Confident88.8Confident142 Ų14274.5 Ų74.562%0.61736%0.36SS*.Hα-helixtrans-68.9-41.8175.7-69.3-177.1179.2-174.60112.3N70 F71 L72 Q77 I78N70-K74 PolarHBondContact O-N 3.01Å; F71-K74 PolarHBondContact O-N 2.77Å; L72-K74 VanDerWaalsContact C-N 3.3Å; L72-K74 PolarHBondContact O-N 3.17Å; K74-Q77 PolarHBondContact O-N 3.12Å; K74-I78 VanDerWaalsContact O-CG1 3.3Å; K74-I78 WeakPolarHBondContact O-CG1 3.29Å; K74-I78 PolarHBondContact O-N 3.09Å
75G90.6Very high88.8Confident7 Ų775.8 Ų75.87%0.07237%0.366CS..Hα-helixtrans-62.1-42.517800000112.4F71 L72 I78 A79F71-G75 PolarHBondContact O-N 3Å; L72-G75 PolarHBondContact O-N 3.12Å; L72-G75 VanDerWaalsContact O-N 3.13Å; G75-I78 PolarHBondContact O-N 2.88Å; G75-A79 VanDerWaalsContact O-CB 3.26Å; G75-A79 WeakPolarHBondContact O-CB 2.97Å; G75-A79 PolarHBondContact O-N 2.99Å
76E92.8Very high88.9Confident85 Ų8576.3 Ų76.340%0.39737%0.367SS..Hα-helixtrans-62.7-43.5174.6-74.8175.8-168.100111.6L72 A79 K80 V93 R97L72-E76 WeakPolarHBondContact O-CB 3.46Å; L72-E76 VanDerWaalsContact O-CG 3.31Å; L72-E76 WeakPolarHBondContact O-CG 3.5Å; L72-E76 PolarHBondContact O-N 3.46Å; E76-A79 PolarHBondContact O-N 3Å; E76-K80 VanDerWaalsContact O-CB 3.24Å; E76-K80 WeakPolarHBondContact O-CB 3.49Å; E76-K80 PolarHBondContact O-N 3.49Å; E76-V93 HydrophobicContact CG-CG1 3.64Å; E76-R97 IonicContact OE1-CZ 3.6Å; E76-R97 IonicContact OE1-NE 3.65Å; E76-R97 IonicContact OE1-NH2 2.69Å; E76-R97 PolarHBondContact OE1-NH2 3.19Å
77Q90.8Very high89Confident110 Ų11078 Ų7851%0.51438%0.375SS..Hα-helixtrans-61-50175.9-175.6178.81.400111.3E73 K74 A79 K80 E81E73-Q77 PolarHBondContact O-N 3.09Å; E73-Q77 VanDerWaalsContact O-N 3.13Å; K74-Q77 PolarHBondContact O-N 3.12Å; Q77-A79 PolarHBondContact O-N 2.89Å; Q77-K80 PolarHBondContact O-N 3.37Å; Q77-E81 VanDerWaalsContact CG-OE1 3.27Å; Q77-E81 WeakPolarHBondContact CG-OE1 3.31Å; Q77-E81 PolarHBondContact NE2-OE1 3.36Å; Q77-E81 WeakPolarHBondContact O-CB 3.5Å; Q77-E81 WeakPolarHBondContact O-CG 3.38Å; Q77-E81 PolarHBondContact O-N 3.42Å
78I87.2Confident89.3Confident86 Ų8680.5 Ų80.544%0.44138%0.381SS..Hα-helixtrans-60.6-46.6178.7-68.2166.6000110.6K74 G75 K80 E81 S82K74-I78 VanDerWaalsContact O-CG1 3.3Å; K74-I78 WeakPolarHBondContact O-CG1 3.29Å; K74-I78 PolarHBondContact O-N 3.09Å; G75-I78 PolarHBondContact O-N 2.88Å; I78-K80 VanDerWaalsContact C-N 3.28Å; I78-K80 PolarHBondContact O-N 2.87Å; I78-E81 PolarHBondContact O-N 3.25Å; I78-S82 VanDerWaalsContact O-CB 3.32Å; I78-S82 WeakPolarHBondContact O-CB 3.39Å; I78-S82 PolarHBondContact O-N 3.29Å
79A90.3Very high89.5Confident3 Ų380.1 Ų80.13%0.02538%0.379CS..Hα-helixtrans-62.6-34.9178.600000112.3G75 E76 Q77 L89 V90 V93G75-A79 VanDerWaalsContact O-CB 3.26Å; G75-A79 WeakPolarHBondContact O-CB 2.97Å; G75-A79 PolarHBondContact O-N 2.99Å; E76-A79 PolarHBondContact O-N 3Å; Q77-A79 PolarHBondContact O-N 2.89Å; A79-L89 HydrophobicContact CB-CB 3.84Å; A79-V90 HydrophobicContact CB-CG2 4.05Å; A79-V93 HydrophobicContact CB-CG2 4.31Å
80K90Very high89.6Confident164 Ų16478.5 Ų78.571%0.71338%0.375SS*.Hα-helixtrans-70.6-41.6177.2-176.4179.3177.6-177.70112.4E76 Q77 I78E76-K80 VanDerWaalsContact O-CB 3.24Å; E76-K80 WeakPolarHBondContact O-CB 3.49Å; E76-K80 PolarHBondContact O-N 3.49Å; Q77-K80 PolarHBondContact O-N 3.37Å; I78-K80 VanDerWaalsContact C-N 3.28Å; I78-K80 PolarHBondContact O-N 2.87Å
81E88.3Confident89.9Confident133 Ų13377.4 Ų77.462%0.62138%0.377SS*.Hα-helixtrans-79.7-20.4-179.1-69.3175.4-16800112.9Q77 I78 Q83Q77-E81 VanDerWaalsContact CG-OE1 3.27Å; Q77-E81 WeakPolarHBondContact CG-OE1 3.31Å; Q77-E81 PolarHBondContact NE2-OE1 3.36Å; Q77-E81 WeakPolarHBondContact O-CB 3.5Å; Q77-E81 WeakPolarHBondContact O-CG 3.38Å; Q77-E81 PolarHBondContact O-N 3.42Å; I78-E81 PolarHBondContact O-N 3.25Å; E81-Q83 PolarHBondContact O-N 3.49Å
82S86.7Confident90Very high22 Ų2275.6 Ų75.615%0.15437%0.369CS..  trans-68131.9-179.4-159.90000112.1I78 D84I78-S82 VanDerWaalsContact O-CB 3.32Å; I78-S82 WeakPolarHBondContact O-CB 3.39Å; I78-S82 PolarHBondContact O-N 3.29Å; S82-D84 PolarHBondContact OG-N 2.92Å; S82-D84 PolarHBondContact OG-O 3.22Å
83Q85.9Confident90.2Very high184 Ų18475.4 Ų75.486%0.8637%0.368SS*.SBendtrans-88.3-29.7170.6-64.3-178.7-8.500111.2E81E81-Q83 PolarHBondContact O-N 3.49Å
84D85.9Confident90.4Very high40 Ų4075.2 Ų75.221%0.21437%0.368CS..SBendtrans-103.4143.9-178.7-58.6-67.5000110.7S82 K86 A144 M147S82-D84 PolarHBondContact OG-N 2.92Å; S82-D84 PolarHBondContact OG-O 3.22Å; D84-K86 PolarHBondContact O-N 3.19Å; D84-K86 VanDerWaalsContact O-N 3.08Å; D84-A144 HydrophobicContact CB-CB 4.46Å; D84-M147 HydrophobicContact CB-CB 4.03Å; D84-M147 HydrophobicContact CB-CE 4.13Å; D84-M147 HydrophobicContact CB-SD 4.21Å
85L85.6Confident90.7Very high31 Ų3171.1 Ų71.116%0.16235%0.352CS..SBendtrans53.229178.5-56.9176.5000114.8E87 E88 L89 L140 M143 A144 M147L85-E87 VanDerWaalsContact C-N 3.33Å; L85-E87 PolarHBondContact O-N 2.96Å; L85-E88 VanDerWaalsContact C-OE2 3.23Å; L85-E88 WeakPolarHBondContact CA-OE2 3.43Å; L85-E88 HydrophobicContact CB-CB 4.45Å; L85-E88 PolarHBondContact O-N 3.39Å; L85-L89 HydrophobicContact CB-CG 4.47Å; L85-L89 WeakPolarHBondContact O-CB 3.46Å; L85-L89 VanDerWaalsContact O-CG 3.27Å; L85-L89 WeakPolarHBondContact O-CG 3.48Å; L85-L89 PolarHBondContact O-N 2.97Å; L85-L140 HydrophobicContact CD1-CD2 4.45Å; L85-M143 HydrophobicContact CD1-CB 3.7Å; L85-M143 HydrophobicContact CD1-CE 4.49Å; L85-A144 HydrophobicContact CD1-CB 4.48Å; L85-M147 HydrophobicContact CD1-SD 3.95Å; L85-M147 HydrophobicContact CD2-SD 3.82Å; L85-M147 HydrophobicContact CG-SD 3.61Å
86K89.5Confident90.9Very high104 Ų10470.8 Ų70.845%0.45235%0.349SS..Hα-helixtrans-58.9-44-173.2-178.3169.2-174.6166.30112.3D84 V90D84-K86 PolarHBondContact O-N 3.19Å; D84-K86 VanDerWaalsContact O-N 3.08Å; K86-V90 WeakPolarHBondContact O-CB 3.27Å; K86-V90 VanDerWaalsContact O-CG2 3.22Å; K86-V90 WeakPolarHBondContact O-CG2 3.24Å; K86-V90 PolarHBondContact O-N 3.41Å
87E90.7Very high91.1Very high164 Ų16470.3 Ų70.377%0.76634%0.344SS*.Hα-helixtrans-67.5-41.7-179.3-64.6-176.4179.400111.4L85 V90 A91L85-E87 VanDerWaalsContact C-N 3.33Å; L85-E87 PolarHBondContact O-N 2.96Å; E87-V90 PolarHBondContact O-N 2.71Å; E87-A91 WeakPolarHBondContact O-CB 3.41Å; E87-A91 PolarHBondContact O-N 3.5Å
88E91.2Very high91.4Very high83 Ų8371.8 Ų71.839%0.38835%0.348SS..Hα-helixtrans-67.4-39.8177.9-63.287.7163.400112.3L85 A91 A92 L140L85-E88 VanDerWaalsContact C-OE2 3.23Å; L85-E88 WeakPolarHBondContact CA-OE2 3.43Å; L85-E88 HydrophobicContact CB-CB 4.45Å; L85-E88 PolarHBondContact O-N 3.39Å; E88-A91 PolarHBondContact O-N 2.85Å; E88-A92 VanDerWaalsContact O-CB 3.3Å; E88-A92 WeakPolarHBondContact O-CB 3.29Å; E88-A92 PolarHBondContact O-N 3.27Å; E88-L140 HydrophobicContact CB-CD1 4.32Å; E88-L140 HydrophobicContact CB-CD2 4.18Å
89L92.7Very high91.7Very high1 Ų169.4 Ų69.41%0.00534%0.335CS..Hα-helixtrans-64.4-47.6174.9-75.5169.8000110.9A79 L85 A91 A92 V93 L137 L140 A141 A144A79-L89 HydrophobicContact CB-CB 3.84Å; L85-L89 HydrophobicContact CB-CG 4.47Å; L85-L89 WeakPolarHBondContact O-CB 3.46Å; L85-L89 VanDerWaalsContact O-CG 3.27Å; L85-L89 WeakPolarHBondContact O-CG 3.48Å; L85-L89 PolarHBondContact O-N 2.97Å; L89-A91 VanDerWaalsContact C-N 3.34Å; L89-A91 PolarHBondContact O-N 2.9Å; L89-A92 PolarHBondContact O-N 2.94Å; L89-V93 WeakPolarHBondContact O-CG2 3.27Å; L89-V93 PolarHBondContact O-N 3.3Å; L89-L137 HydrophobicContact CD2-CD1 3.84Å; L89-L140 HydrophobicContact CD2-CB 3.7Å; L89-L140 HydrophobicContact CG-CB 4.47Å; L89-A141 HydrophobicContact CD2-CB 4.37Å; L89-A144 HydrophobicContact CD1-CB 4.37Å
90V93.8Very high91.9Very high62 Ų6269.8 Ų69.838%0.37634%0.339SS..Hα-helixtrans-59-47.2175.61700000110.3A79 K86 E87 A92 V93 E94A79-V90 HydrophobicContact CB-CG2 4.05Å; K86-V90 WeakPolarHBondContact O-CB 3.27Å; K86-V90 VanDerWaalsContact O-CG2 3.22Å; K86-V90 WeakPolarHBondContact O-CG2 3.24Å; K86-V90 PolarHBondContact O-N 3.41Å; E87-V90 PolarHBondContact O-N 2.71Å; V90-A92 VanDerWaalsContact C-N 3.31Å; V90-A92 PolarHBondContact O-N 3.5Å; V90-V93 WeakPolarHBondContact O-CB 3.31Å; V90-V93 PolarHBondContact O-N 3.44Å; V90-E94 WeakPolarHBondContact O-CG 3.32Å; V90-E94 PolarHBondContact O-N 3.44Å
91A94Very high92.1Very high54 Ų5466 Ų6645%0.44632%0.324SS..Hα-helixtrans-62-36.5177.400000113E87 E88 L89 E94 D95E87-A91 WeakPolarHBondContact O-CB 3.41Å; E87-A91 PolarHBondContact O-N 3.5Å; E88-A91 PolarHBondContact O-N 2.85Å; L89-A91 VanDerWaalsContact C-N 3.34Å; L89-A91 PolarHBondContact O-N 2.9Å; A91-E94 PolarHBondContact O-N 3.28Å; A91-D95 PolarHBondContact O-N 3.35Å
92A93.1Very high92.4Very high1 Ų162.6 Ų62.61%0.00831%0.313CS..Hα-helixtrans-70.2-37.1175.600000112.4E88 L89 V90 D95 V96 L137 L140E88-A92 VanDerWaalsContact O-CB 3.3Å; E88-A92 WeakPolarHBondContact O-CB 3.29Å; E88-A92 PolarHBondContact O-N 3.27Å; L89-A92 PolarHBondContact O-N 2.94Å; V90-A92 VanDerWaalsContact C-N 3.31Å; V90-A92 PolarHBondContact O-N 3.5Å; A92-D95 PolarHBondContact O-N 2.96Å; A92-V96 WeakPolarHBondContact O-CG2 3.47Å; A92-V96 PolarHBondContact O-N 3.25Å; A92-L137 HydrophobicContact CB-CB 4.14Å; A92-L137 HydrophobicContact CB-CD1 3.76Å; A92-L140 HydrophobicContact CB-CD1 3.62Å
93V95.3Very high92.7Very high3 Ų361.6 Ų61.62%0.01831%0.305CS..Hα-helixtrans-62-44.1171.5170.40000110.7L72 E76 A79 L89 V90 D95 V96 R97 L137L72-V93 HydrophobicContact CD2-CG1 4.06Å; E76-V93 HydrophobicContact CG-CG1 3.64Å; A79-V93 HydrophobicContact CB-CG2 4.31Å; L89-V93 WeakPolarHBondContact O-CG2 3.27Å; L89-V93 PolarHBondContact O-N 3.3Å; V90-V93 WeakPolarHBondContact O-CB 3.31Å; V90-V93 PolarHBondContact O-N 3.44Å; V93-D95 VanDerWaalsContact C-N 3.33Å; V93-D95 PolarHBondContact O-N 2.97Å; V93-V96 PolarHBondContact O-N 3.05Å; V93-R97 PolarHBondContact O-N 3.25Å; V93-L137 HydrophobicContact CG2-CD1 3.83Å; V93-L137 HydrophobicContact CG2-CD2 3.77Å
94E95.8Very high93.1Very high101 Ų10157.1 Ų57.147%0.47228%0.281SS..Hα-helixtrans-59.4-42.1174.9-68-52.8123.200112.4V90 A91 R97 K98V90-E94 WeakPolarHBondContact O-CG 3.32Å; V90-E94 PolarHBondContact O-N 3.44Å; A91-E94 PolarHBondContact O-N 3.28Å; E94-R97 PolarHBondContact O-N 3.33Å; E94-R97 IonicContact OE1-CZ 3.83Å; E94-R97 IonicContact OE1-NH1 3.86Å; E94-R97 PolarHBondContact OE1-NH1 3.43Å; E94-R97 IonicContact OE1-NH2 3.08Å; E94-R97 PolarHBondContact OE1-NH2 3.19Å; E94-R97 IonicContact OE2-CZ 3.99Å; E94-R97 IonicContact OE2-NH1 3.52Å; E94-R97 PolarHBondContact OE2-NH1 2.96Å; E94-K98 PolarHBondContact O-N 2.76Å
95D94.7Very high93.5Very high55 Ų5558.7 Ų58.729%0.29429%0.288SS..Hα-helixtrans-65.5-43.9176.7-169.333.5000111.4A91 A92 V93 R97 K98 Q99A91-D95 PolarHBondContact O-N 3.35Å; A92-D95 PolarHBondContact O-N 2.96Å; V93-D95 VanDerWaalsContact C-N 3.33Å; V93-D95 PolarHBondContact O-N 2.97Å; D95-R97 VanDerWaalsContact C-N 3.27Å; D95-R97 PolarHBondContact O-N 3.19Å; D95-K98 PolarHBondContact O-N 2.92Å; D95-Q99 WeakPolarHBondContact O-CG 3.38Å; D95-Q99 PolarHBondContact O-N 3.45Å; D95-Q99 PolarHBondContact OD1-NE2 3.18Å; D95-Q99 VanDerWaalsContact OD1-NE2 3.12Å
96V94.6Very high93.8Very high0 Ų057.4 Ų57.40%028%0.282CS..Hα-helixtrans-58.4-39.9173.6175.10000111.1T68 F71 L72 A92 V93 Q99 G100 L130 A133 V134 L137T68-V96 HydrophobicContact CG2-CG1 4.48Å; F71-V96 HydrophobicContact CD1-CG1 3.97Å; F71-V96 HydrophobicContact CE1-CG1 4.09Å; F71-V96 HydrophobicContact CE1-CG2 4.28Å; L72-V96 HydrophobicContact CD2-CB 3.98Å; L72-V96 HydrophobicContact CD2-CG1 3.73Å; L72-V96 HydrophobicContact CG-CG1 4.23Å; A92-V96 WeakPolarHBondContact O-CG2 3.47Å; A92-V96 PolarHBondContact O-N 3.25Å; V93-V96 PolarHBondContact O-N 3.05Å; V96-Q99 PolarHBondContact O-N 3.24Å; V96-G100 WeakPolarHBondContact O-CA 3.45Å; V96-G100 PolarHBondContact O-N 2.99Å; V96-L130 HydrophobicContact CG1-CD1 4.17Å; V96-A133 VanDerWaalsContact CG2-C 3.49Å; V96-A133 HydrophobicContact CG2-CB 3.77Å; V96-A133 WeakPolarHBondContact CG2-O 3.14Å; V96-V134 HydrophobicContact CG1-CG2 3.92Å; V96-V134 HydrophobicContact CG2-CG2 4.15Å; V96-L137 HydrophobicContact CG2-CB 4.31Å; V96-L137 HydrophobicContact CG2-CD2 4.42Å
97R96.4Very high93.8Very high76 Ų7652.5 Ų52.529%0.28726%0.261SS..Hα-helixtrans-64.2-45.2177.2-169.6-179.9-57.594.3-3.9111.6L72 E76 V93 E94 D95 G100 E101L72-R97 HydrophobicContact CD1-CB 4.11Å; L72-R97 HydrophobicContact CD1-CG 4.1Å; L72-R97 HydrophobicContact CD2-CB 3.97Å; E76-R97 IonicContact OE1-CZ 3.6Å; E76-R97 IonicContact OE1-NE 3.65Å; E76-R97 IonicContact OE1-NH2 2.69Å; E76-R97 PolarHBondContact OE1-NH2 3.19Å; V93-R97 PolarHBondContact O-N 3.25Å; E94-R97 PolarHBondContact O-N 3.33Å; E94-R97 IonicContact OE1-CZ 3.83Å; E94-R97 IonicContact OE1-NH1 3.86Å; E94-R97 PolarHBondContact OE1-NH1 3.43Å; E94-R97 IonicContact OE1-NH2 3.08Å; E94-R97 PolarHBondContact OE1-NH2 3.19Å; E94-R97 IonicContact OE2-CZ 3.99Å; E94-R97 IonicContact OE2-NH1 3.52Å; E94-R97 PolarHBondContact OE2-NH1 2.96Å; D95-R97 VanDerWaalsContact C-N 3.27Å; D95-R97 PolarHBondContact O-N 3.19Å; R97-G100 PolarHBondContact O-N 3.05Å; R97-E101 PolarHBondContact O-N 2.92Å
98K97Very high93.8Very high141 Ų14147 Ų4761%0.61324%0.24SC*.Hα-helixtrans-62-46.9177-177.9-175.4175.7-175.70112.2E94 D95 G100 E101 T102E94-K98 PolarHBondContact O-N 2.76Å; D95-K98 PolarHBondContact O-N 2.92Å; K98-G100 VanDerWaalsContact C-N 3.32Å; K98-E101 PolarHBondContact O-N 3.34Å; K98-T102 PolarHBondContact O-N 2.81Å; K98-T102 VanDerWaalsContact O-N 3.13Å; K98-T102 PolarHBondContact O-OG1 3.49Å
99Q94.9Very high93.8Very high35 Ų3546.9 Ų46.916%0.16424%0.24CC..Hα-helixtrans-69-33.7177.2-57.7-45.5-35.800111.6D95 V96 T102 M103 A129 L130 A133D95-Q99 WeakPolarHBondContact O-CG 3.38Å; D95-Q99 PolarHBondContact O-N 3.45Å; D95-Q99 PolarHBondContact OD1-NE2 3.18Å; D95-Q99 VanDerWaalsContact OD1-NE2 3.12Å; V96-Q99 PolarHBondContact O-N 3.24Å; Q99-T102 PolarHBondContact O-N 3.11Å; Q99-M103 VanDerWaalsContact O-CB 3.31Å; Q99-M103 WeakPolarHBondContact O-CB 3.22Å; Q99-M103 PolarHBondContact O-N 3.08Å; Q99-A129 HydrophobicContact CG-CB 4.17Å; Q99-A129 VanDerWaalsContact OE1-CB 3.27Å; Q99-L130 HydrophobicContact CB-CB 4.17Å; Q99-L130 HydrophobicContact CB-CD1 4.21Å; Q99-A133 HydrophobicContact CB-CB 4.44Å; Q99-A133 HydrophobicContact CG-CB 3.95Å
100G93.5Very high93.6Very high11 Ų1147 Ų4711%0.11324%0.241CC..Hα-helixtrans-60.9-46.3174.600000112.3V96 R97 K98 M103 R104V96-G100 WeakPolarHBondContact O-CA 3.45Å; V96-G100 PolarHBondContact O-N 2.99Å; R97-G100 PolarHBondContact O-N 3.05Å; K98-G100 VanDerWaalsContact C-N 3.32Å; G100-M103 PolarHBondContact O-N 3.46Å; G100-R104 WeakPolarHBondContact O-CB 2.82Å; G100-R104 PolarHBondContact O-N 2.83Å
101E94.9Very high93.2Very high85 Ų8544.5 Ų44.540%0.39723%0.226SC..Hα-helixtrans-65.2-42.4176.2179.956.4-161.700112R97 K98 M103 R104 I105R97-E101 PolarHBondContact O-N 2.92Å; K98-E101 PolarHBondContact O-N 3.34Å; E101-M103 VanDerWaalsContact C-N 3.29Å; E101-M103 PolarHBondContact O-N 3.32Å; E101-R104 WeakPolarHBondContact O-CB 3.45Å; E101-R104 PolarHBondContact O-N 3.41Å; E101-R104 IonicContact OE1-CZ 3.91Å; E101-R104 IonicContact OE1-NE 3.65Å; E101-R104 PolarHBondContact OE1-NE 3.21Å; E101-R104 IonicContact OE1-NH2 3.71Å; E101-R104 PolarHBondContact OE1-NH2 2.85Å; E101-R104 IonicContact OE2-CZ 3.86Å; E101-R104 IonicContact OE2-NE 2.67Å; E101-R104 PolarHBondContact OE2-NE 2.96Å; E101-R104 IonicContact OE2-NH2 2.85Å; E101-I105 HydrophobicContact CG-CD1 4.32Å; E101-I105 WeakPolarHBondContact O-CG1 3.36Å; E101-I105 PolarHBondContact O-N 3.41Å
102T95.3Very high93Very high61 Ų6147.1 Ų47.137%0.37423%0.233SC..Hα-helixtrans-59.8-42.2174.4-54.90000111.1K98 Q99 A106 A126K98-T102 PolarHBondContact O-N 2.81Å; K98-T102 VanDerWaalsContact O-N 3.13Å; K98-T102 PolarHBondContact O-OG1 3.49Å; Q99-T102 PolarHBondContact O-N 3.11Å; T102-A106 VanDerWaalsContact O-CB 3.29Å; T102-A106 WeakPolarHBondContact O-CB 3.27Å; T102-A106 PolarHBondContact O-N 3.23Å; T102-A126 HydrophobicContact CG2-CB 4.02Å
103M92.9Very high92.7Very high1 Ų149.9 Ų49.91%0.00525%0.248CC..Hα-helixtrans-67.4-38.5177.1-176.757.4-17800112.1L38 V64 Q99 G100 E101 S107 M123 A126 A127 L130L38-M103 HydrophobicContact CD2-CE 3.72Å; V64-M103 HydrophobicContact CG1-CE 4.21Å; V64-M103 HydrophobicContact CG1-CG 3.93Å; Q99-M103 VanDerWaalsContact O-CB 3.31Å; Q99-M103 WeakPolarHBondContact O-CB 3.22Å; Q99-M103 PolarHBondContact O-N 3.08Å; G100-M103 PolarHBondContact O-N 3.46Å; E101-M103 VanDerWaalsContact C-N 3.29Å; E101-M103 PolarHBondContact O-N 3.32Å; M103-S107 WeakPolarHBondContact CE-OG 3.02Å; M103-S107 WeakPolarHBondContact O-CB 3.32Å; M103-S107 PolarHBondContact O-N 2.93Å; M103-S107 PolarHBondContact O-OG 2.96Å; M103-S107 PolarHBondContact SD-OG 3.04Å; M103-M123 HydrophobicContact CE-CG 4.19Å; M103-M123 HydrophobicContact SD-CG 4.43Å; M103-A126 HydrophobicContact CB-CB 4.34Å; M103-A126 HydrophobicContact SD-CB 3.98Å; M103-A127 HydrophobicContact CE-CB 3.67Å; M103-A127 HydrophobicContact SD-CB 3.74Å; M103-A127 PolarHBondContact SD-N 3.22Å; M103-L130 HydrophobicContact CB-CD2 3.97Å; M103-L130 HydrophobicContact CG-CD2 3.86Å
104R93Very high92Very high91 Ų9152.8 Ų52.834%0.34327%0.266SS..Hα-helixtrans-60.2-49.9176.2-170.3-167.868.175.53.2111.1E65 G100 E101 S108E65-R104 HydrophobicContact CB-CG 4.49Å; E65-R104 HydrophobicContact CG-CG 4.08Å; E65-R104 VanDerWaalsContact OE1-CD 3.24Å; E65-R104 WeakPolarHBondContact OE1-CD 3.36Å; G100-R104 WeakPolarHBondContact O-CB 2.82Å; G100-R104 PolarHBondContact O-N 2.83Å; E101-R104 WeakPolarHBondContact O-CB 3.45Å; E101-R104 PolarHBondContact O-N 3.41Å; E101-R104 IonicContact OE1-CZ 3.91Å; E101-R104 IonicContact OE1-NE 3.65Å; E101-R104 PolarHBondContact OE1-NE 3.21Å; E101-R104 IonicContact OE1-NH2 3.71Å; E101-R104 PolarHBondContact OE1-NH2 2.85Å; E101-R104 IonicContact OE2-CZ 3.86Å; E101-R104 IonicContact OE2-NE 2.67Å; E101-R104 PolarHBondContact OE2-NE 2.96Å; E101-R104 IonicContact OE2-NH2 2.85Å; R104-S108 WeakPolarHBondContact O-CB 3.28Å; R104-S108 PolarHBondContact O-N 3.1Å
105I94.3Very high91.3Very high72 Ų7254 Ų5437%0.36928%0.284SS..Hα-helixtrans-62.1-53.8177.6-63.5168.1000110.3E101 S107 S108 E109E101-I105 HydrophobicContact CG-CD1 4.32Å; E101-I105 WeakPolarHBondContact O-CG1 3.36Å; E101-I105 PolarHBondContact O-N 3.41Å; I105-S107 VanDerWaalsContact C-N 3.28Å; I105-S107 PolarHBondContact O-N 3.27Å; I105-S108 PolarHBondContact O-N 3.41Å; I105-S108 VanDerWaalsContact O-N 3.1Å; I105-E109 HydrophobicContact CG2-CG 4.39Å; I105-E109 WeakPolarHBondContact O-CG 3.48Å; I105-E109 PolarHBondContact O-N 3.48Å
106A92.1Very high90.9Very high4 Ų452.6 Ų52.63%0.03328%0.279CS..Hα-helixtrans-62.7-34.9-17700000112.8T102 F110 T122 M123 A126T102-A106 VanDerWaalsContact O-CB 3.29Å; T102-A106 WeakPolarHBondContact O-CB 3.27Å; T102-A106 PolarHBondContact O-N 3.23Å; A106-F110 WeakPolarHBondContact O-CB 3.46Å; A106-F110 PolarHBondContact O-N 3.34Å; A106-F110 VanDerWaalsContact O-N 3.09Å; A106-T122 HydrophobicContact CB-CG2 4.1Å; A106-M123 HydrophobicContact CB-CB 4.33Å; A106-A126 HydrophobicContact CB-CB 3.98Å
107S89.6Confident90.6Very high2 Ų257.2 Ų57.21%0.01431%0.311CS..Hα-helixtrans-71-36.3175.4-60.60000112.3M103 I105 A111M103-S107 WeakPolarHBondContact CE-OG 3.02Å; M103-S107 WeakPolarHBondContact O-CB 3.32Å; M103-S107 PolarHBondContact O-N 2.93Å; M103-S107 PolarHBondContact O-OG 2.96Å; M103-S107 PolarHBondContact SD-OG 3.04Å; I105-S107 VanDerWaalsContact C-N 3.28Å; I105-S107 PolarHBondContact O-N 3.27Å; S107-A111 VanDerWaalsContact O-CB 3.26Å; S107-A111 WeakPolarHBondContact O-CB 3.47Å; S107-A111 PolarHBondContact O-N 2.81Å
108S89.7Confident90.2Very high47 Ų4758.6 Ų58.633%0.32933%0.328SS..Hα-helixtrans-67.1-48.9174.8-168.90000111.3R104 I105 F110 A111 D112R104-S108 WeakPolarHBondContact O-CB 3.28Å; R104-S108 PolarHBondContact O-N 3.1Å; I105-S108 PolarHBondContact O-N 3.41Å; I105-S108 VanDerWaalsContact O-N 3.1Å; S108-F110 VanDerWaalsContact C-N 3.29Å; S108-F110 PolarHBondContact O-N 3.15Å; S108-A111 WeakPolarHBondContact O-CA 3.37Å; S108-A111 WeakPolarHBondContact O-CB 3.31Å; S108-A111 PolarHBondContact O-N 3.27Å; S108-D112 PolarHBondContact O-N 3.33Å
109E92Very high89.9Confident82 Ų8254.8 Ų54.838%0.38331%0.311SS..Hα-helixtrans-59.4-41178.4-70.9-179.8177.700112I105 D112 D113 K119I105-E109 HydrophobicContact CG2-CG 4.39Å; I105-E109 WeakPolarHBondContact O-CG 3.48Å; I105-E109 PolarHBondContact O-N 3.48Å; E109-D112 PolarHBondContact O-N 3.06Å; E109-D113 PolarHBondContact O-N 3.44Å; E109-D113 VanDerWaalsContact O-N 3.14Å; E109-K119 HydrophobicContact CB-CD 4.36Å; E109-K119 WeakPolarHBondContact O-CD 3.42Å
110F87.9Confident89.3Confident4 Ų455.6 Ų55.62%0.01831%0.313CS..Hα-helixtrans-68.1-35.5173.7175.6-107.1000112.3A106 S108 D112 D113 P114 R120 M123A106-F110 WeakPolarHBondContact O-CB 3.46Å; A106-F110 PolarHBondContact O-N 3.34Å; A106-F110 VanDerWaalsContact O-N 3.09Å; S108-F110 VanDerWaalsContact C-N 3.29Å; S108-F110 PolarHBondContact O-N 3.15Å; F110-D112 VanDerWaalsContact C-N 3.33Å; F110-D113 CarbonylContact O-C 3.59Å; F110-D113 PolarHBondContact O-N 3.32Å; F110-P114 HydrophobicContact CE2-CB 4.39Å; F110-P114 WeakPolarHBondContact CE2-O 3.44Å; F110-P114 HydrophobicContact CZ-CB 4.33Å; F110-P114 VanDerWaalsContact O-CA 3.25Å; F110-P114 WeakPolarHBondContact O-CA 3.41Å; F110-P114 WeakPolarHBondContact O-CG 3.33Å; F110-R120 HydrophobicContact CD2-CB 3.96Å; F110-R120 HydrophobicContact CD2-CG 4.5Å; F110-R120 HydrophobicContact CE2-CB 3.8Å; F110-R120 HydrophobicContact CE2-CG 4.03Å; F110-M123 HydrophobicContact CB-CB 4.33Å; F110-M123 HydrophobicContact CB-SD 4.08Å; F110-M123 HydrophobicContact CD1-CE 3.67Å; F110-M123 HydrophobicContact CD1-SD 3.33Å; F110-M123 WeakPolarHBondContact CD1-SD 3.41Å; F110-M123 HydrophobicContact CD2-CE 4.28Å; F110-M123 HydrophobicContact CE1-CE 3.77Å; F110-M123 HydrophobicContact CE1-SD 3.91Å; F110-M123 HydrophobicContact CE2-CE 4.37Å; F110-M123 HydrophobicContact CG-CE 3.93Å; F110-M123 HydrophobicContact CG-SD 3.77Å; F110-M123 HydrophobicContact CZ-CE 4.13Å
111A86.2Confident89Confident9 Ų956.3 Ų56.37%0.07432%0.32CS..Hα-helixtrans-66.6-35.3175.900000112.4A57 H58 S107 S108A57-A111 HydrophobicContact CB-CB 3.67Å; H58-A111 WeakPolarHBondContact ND1-CB 3.4Å; S107-A111 VanDerWaalsContact O-CB 3.26Å; S107-A111 WeakPolarHBondContact O-CB 3.47Å; S107-A111 PolarHBondContact O-N 2.81Å; S108-A111 WeakPolarHBondContact O-CA 3.37Å; S108-A111 WeakPolarHBondContact O-CB 3.31Å; S108-A111 PolarHBondContact O-N 3.27Å
112D89Confident88.7Confident109 Ų10954.5 Ų54.558%0.58332%0.315SS*.Hα-helixtrans-69.4-32174.2-66.6-33.5000112.4H58 S108 E109 F110H58-D112 IonicContact CE1-OD1 3.4Å; H58-D112 PolarHBondContact CE1-OD1 3.27Å; H58-D112 VanDerWaalsContact CE1-OD1 3.28Å; H58-D112 IonicContact NE2-OD1 2.74Å; S108-D112 PolarHBondContact O-N 3.33Å; E109-D112 PolarHBondContact O-N 3.06Å; F110-D112 VanDerWaalsContact C-N 3.33Å
113D87.2Confident88.5Confident59 Ų5951.6 Ų51.632%0.31630%0.297SS..  trans-140.276.1-177.9-1797.2000112.3E109 F110 C115 S116 K119E109-D113 PolarHBondContact O-N 3.44Å; E109-D113 VanDerWaalsContact O-N 3.14Å; F110-D113 CarbonylContact O-C 3.59Å; F110-D113 PolarHBondContact O-N 3.32Å; D113-C115 PolarHBondContact O-N 3.07Å; D113-S116 PolarHBondContact O-N 3.33Å; D113-S116 PolarHBondContact OD1-N 3.41Å; D113-S116 VanDerWaalsContact OD2-CB 3.27Å; D113-S116 WeakPolarHBondContact OD2-CB 3.47Å; D113-K119 HydrophobicContact CB-CD 3.79Å; D113-K119 IonicContact OD2-NZ 2.69Å; D113-K119 PolarHBondContact OD2-NZ 3.05Å
114P81.7Confident88.2Confident63 Ų6352.7 Ų52.741%0.40930%0.304SS..THydrogen-bonded Turntrans-69.8-14.1-174.7-21.334000114.5F110F110-P114 HydrophobicContact CE2-CB 4.39Å; F110-P114 WeakPolarHBondContact CE2-O 3.44Å; F110-P114 HydrophobicContact CZ-CB 4.33Å; F110-P114 VanDerWaalsContact O-CA 3.25Å; F110-P114 WeakPolarHBondContact O-CA 3.41Å; F110-P114 WeakPolarHBondContact O-CG 3.33Å
115C81.4Confident87.9Confident126 Ų12655.6 Ų55.685%0.85132%0.315SS*.THydrogen-bonded Turntrans-86.5-14.9-179.9-66.70000112.4D113 S117D113-C115 PolarHBondContact O-N 3.07Å; C115-S117 PolarHBondContact O-N 2.71Å
116S86.3Confident87.8Confident26 Ų2652.4 Ų52.418%0.18230%0.299CS..  trans-73.9113.8177.9176.30000112.1D113 V118 K119 R120D113-S116 PolarHBondContact O-N 3.33Å; D113-S116 PolarHBondContact OD1-N 3.41Å; D113-S116 VanDerWaalsContact OD2-CB 3.27Å; D113-S116 WeakPolarHBondContact OD2-CB 3.47Å; S116-V118 VanDerWaalsContact C-N 3.27Å; S116-V118 PolarHBondContact O-N 3.43Å; S116-K119 PolarHBondContact OG-N 3.23Å; S116-R120 WeakPolarHBondContact O-CB 3.45Å; S116-R120 PolarHBondContact O-N 2.99Å
117S86.5Confident87.6Confident97 Ų9752.2 Ų52.268%0.67830%0.298SS*.Hα-helixtrans-63.5-33.8173.659.50000112.4C115 G121C115-S117 PolarHBondContact O-N 2.71Å; S117-G121 PolarHBondContact O-N 3.13Å
118V89.7Confident87.4Confident105 Ų10555.1 Ų55.164%0.63631%0.308SS*.Hα-helixtrans-67-51.4179.1179.10000110.6S116 R120 G121 T122S116-V118 VanDerWaalsContact C-N 3.27Å; S116-V118 PolarHBondContact O-N 3.43Å; V118-R120 VanDerWaalsContact C-N 3.3Å; V118-R120 PolarHBondContact O-N 3.27Å; V118-G121 PolarHBondContact O-N 2.89Å; V118-G121 VanDerWaalsContact O-N 3.11Å; V118-T122 PolarHBondContact O-N 2.79Å; V118-T122 PolarHBondContact O-OG1 3.38Å
119K89Confident87.4Confident61 Ų6154.4 Ų54.427%0.26531%0.306SS..Hα-helixtrans-62.7-38.7177.8-70.3174.3172.4172.40111.6E109 D113 S116 G121 T122 M123E109-K119 HydrophobicContact CB-CD 4.36Å; E109-K119 WeakPolarHBondContact O-CD 3.42Å; D113-K119 HydrophobicContact CB-CD 3.79Å; D113-K119 IonicContact OD2-NZ 2.69Å; D113-K119 PolarHBondContact OD2-NZ 3.05Å; S116-K119 PolarHBondContact OG-N 3.23Å; K119-G121 PolarHBondContact O-N 2.89Å; K119-T122 PolarHBondContact O-N 3.16Å; K119-M123 PolarHBondContact O-N 3.13Å
120R83.2Confident87.4Confident53 Ų5350.5 Ų50.520%0.229%0.287CS..Hα-helixtrans-58.2-47.3171.4-173.1-175-177.4-157.5-4.6112V39 S42 N43 F110 S116 V118 T122 M123 V124V39-R120 PolarHBondContact O-NH2 3.41Å; S42-R120 PolarHBondContact OG-NE 3.42Å; N43-R120 VanDerWaalsContact OD1-CZ 3.27Å; N43-R120 PolarHBondContact OD1-NH1 2.86Å; N43-R120 PolarHBondContact OD1-NH2 3.41Å; F110-R120 HydrophobicContact CD2-CB 3.96Å; F110-R120 HydrophobicContact CD2-CG 4.5Å; F110-R120 HydrophobicContact CE2-CB 3.8Å; F110-R120 HydrophobicContact CE2-CG 4.03Å; S116-R120 WeakPolarHBondContact O-CB 3.45Å; S116-R120 PolarHBondContact O-N 2.99Å; V118-R120 VanDerWaalsContact C-N 3.3Å; V118-R120 PolarHBondContact O-N 3.27Å; R120-T122 VanDerWaalsContact C-N 3.31Å; R120-T122 PolarHBondContact O-N 3.25Å; R120-M123 HydrophobicContact CG-CE 4.05Å; R120-M123 PolarHBondContact O-N 3.1Å; R120-V124 WeakPolarHBondContact O-CG2 3.23Å; R120-V124 PolarHBondContact O-N 2.84Å
121G86.4Confident87.4Confident25 Ų2550.5 Ų50.526%0.25829%0.287SS..Hα-helixtrans-59.5-41.2177.300000112.5S117 V118 K119 V124 R125S117-G121 PolarHBondContact O-N 3.13Å; V118-G121 PolarHBondContact O-N 2.89Å; V118-G121 VanDerWaalsContact O-N 3.11Å; K119-G121 PolarHBondContact O-N 2.89Å; G121-V124 PolarHBondContact O-N 3.25Å; G121-R125 PolarHBondContact O-N 3.33Å; G121-R125 VanDerWaalsContact O-N 3.12Å
122T90.3Very high87.4Confident48 Ų4852.7 Ų52.729%0.29430%0.302SS..Hα-helixtrans-63.3-46.3174.6-59.20000112.1A106 V118 K119 R120 V124 R125 A126A106-T122 HydrophobicContact CB-CG2 4.1Å; V118-T122 PolarHBondContact O-N 2.79Å; V118-T122 PolarHBondContact O-OG1 3.38Å; K119-T122 PolarHBondContact O-N 3.16Å; R120-T122 VanDerWaalsContact C-N 3.31Å; R120-T122 PolarHBondContact O-N 3.25Å; T122-V124 PolarHBondContact O-N 2.87Å; T122-R125 PolarHBondContact O-N 3.42Å; T122-R125 PolarHBondContact OG1-NH2 3.42Å; T122-R125 VanDerWaalsContact OG1-NH2 3.14Å; T122-A126 PolarHBondContact O-N 3.46Å
123M89.4Confident87.5Confident0 Ų047.7 Ų47.70%028%0.276CS..Hα-helixtrans-59.8-43.3175.3177.2-161.85400112.2L38 M103 A106 F110 K119 R120 R125 A126 A127L38-M123 HydrophobicContact CD1-SD 4.25Å; L38-M123 HydrophobicContact CD2-CG 4.5Å; L38-M123 HydrophobicContact CD2-SD 3.75Å; L38-M123 HydrophobicContact CG-SD 3.68Å; M103-M123 HydrophobicContact CE-CG 4.19Å; M103-M123 HydrophobicContact SD-CG 4.43Å; A106-M123 HydrophobicContact CB-CB 4.33Å; F110-M123 HydrophobicContact CB-CB 4.33Å; F110-M123 HydrophobicContact CB-SD 4.08Å; F110-M123 HydrophobicContact CD1-CE 3.67Å; F110-M123 HydrophobicContact CD1-SD 3.33Å; F110-M123 WeakPolarHBondContact CD1-SD 3.41Å; F110-M123 HydrophobicContact CD2-CE 4.28Å; F110-M123 HydrophobicContact CE1-CE 3.77Å; F110-M123 HydrophobicContact CE1-SD 3.91Å; F110-M123 HydrophobicContact CE2-CE 4.37Å; F110-M123 HydrophobicContact CG-CE 3.93Å; F110-M123 HydrophobicContact CG-SD 3.77Å; F110-M123 HydrophobicContact CZ-CE 4.13Å; K119-M123 PolarHBondContact O-N 3.13Å; R120-M123 HydrophobicContact CG-CE 4.05Å; R120-M123 PolarHBondContact O-N 3.1Å; M123-R125 PolarHBondContact O-N 3.31Å; M123-A126 PolarHBondContact O-N 3.21Å; M123-A127 VanDerWaalsContact O-CB 3.32Å; M123-A127 WeakPolarHBondContact O-CB 3.4Å; M123-A127 PolarHBondContact O-N 2.9Å
124V86.7Confident87.7Confident24 Ų2445 Ų4515%0.14526%0.262CS..Hα-helixtrans-61.9-42.9178.4171.60000111.4V39 R120 G121 T122 A127 R128V39-V124 HydrophobicContact CG1-CG2 3.82Å; V39-V124 HydrophobicContact CG2-CG2 4.01Å; R120-V124 WeakPolarHBondContact O-CG2 3.23Å; R120-V124 PolarHBondContact O-N 2.84Å; G121-V124 PolarHBondContact O-N 3.25Å; T122-V124 PolarHBondContact O-N 2.87Å; V124-A127 PolarHBondContact O-N 3.32Å; V124-R128 WeakPolarHBondContact O-CG 3.33Å; V124-R128 PolarHBondContact O-N 2.98Å
125R88.3Confident88Confident151 Ų15142 Ų4257%0.5724%0.243SC*.Hα-helixtrans-63.5-45.4175.6-73.3-173.6-65.2-93.5-1.6112G121 T122 M123 A127 R128 A129G121-R125 PolarHBondContact O-N 3.33Å; G121-R125 VanDerWaalsContact O-N 3.12Å; T122-R125 PolarHBondContact O-N 3.42Å; T122-R125 PolarHBondContact OG1-NH2 3.42Å; T122-R125 VanDerWaalsContact OG1-NH2 3.14Å; M123-R125 PolarHBondContact O-N 3.31Å; R125-A127 VanDerWaalsContact C-N 3.32Å; R125-A127 PolarHBondContact O-N 2.82Å; R125-R128 PolarHBondContact O-N 2.93Å; R125-A129 PolarHBondContact O-N 3.42Å
126A90.8Very high88.4Confident5 Ų540.5 Ų40.54%0.04122%0.219CC..Hα-helixtrans-61.3-41.2177.500000111.9T102 M103 A106 T122 M123 R128 A129 L130T102-A126 HydrophobicContact CG2-CB 4.02Å; M103-A126 HydrophobicContact CB-CB 4.34Å; M103-A126 HydrophobicContact SD-CB 3.98Å; A106-A126 HydrophobicContact CB-CB 3.98Å; T122-A126 PolarHBondContact O-N 3.46Å; M123-A126 PolarHBondContact O-N 3.21Å; A126-R128 PolarHBondContact O-N 3.22Å; A126-A129 PolarHBondContact O-N 2.81Å; A126-L130 WeakPolarHBondContact O-CB 3.39Å; A126-L130 PolarHBondContact O-N 3.21Å
127A88.5Confident88.7Confident1 Ų139.6 Ų39.61%0.00821%0.212CC..Hα-helixtrans-64.7-39.9177.500000112.6V35 M103 M123 V124 R125 L130 L131V35-A127 HydrophobicContact CG1-CB 3.62Å; V35-A127 HydrophobicContact CG2-CB 4.42Å; M103-A127 HydrophobicContact CE-CB 3.67Å; M103-A127 HydrophobicContact SD-CB 3.74Å; M103-A127 PolarHBondContact SD-N 3.22Å; M123-A127 VanDerWaalsContact O-CB 3.32Å; M123-A127 WeakPolarHBondContact O-CB 3.4Å; M123-A127 PolarHBondContact O-N 2.9Å; V124-A127 PolarHBondContact O-N 3.32Å; R125-A127 VanDerWaalsContact C-N 3.32Å; R125-A127 PolarHBondContact O-N 2.82Å; A127-L130 PolarHBondContact O-N 3.39Å; A127-L131 WeakPolarHBondContact O-CB 3.3Å; A127-L131 WeakPolarHBondContact O-CG 3.32Å; A127-L131 PolarHBondContact O-N 3.05Å
128R84.8Confident88.9Confident62 Ų6235.7 Ų35.723%0.23418%0.183CC..Hα-helixtrans-64.5-45.2174.6-73.9177.2-174166.9-1111.9V124 R125 A126 L130 L131 S132 F947 M950V124-R128 WeakPolarHBondContact O-CG 3.33Å; V124-R128 PolarHBondContact O-N 2.98Å; R125-R128 PolarHBondContact O-N 2.93Å; A126-R128 PolarHBondContact O-N 3.22Å; R128-L130 VanDerWaalsContact C-N 3.31Å; R128-L130 PolarHBondContact O-N 2.88Å; R128-L131 PolarHBondContact O-N 3.42Å; R128-S132 WeakPolarHBondContact O-CB 3.17Å; R128-S132 PolarHBondContact O-N 3.44Å; R128-F947 HydrophobicContact CG-CD1 4.24Å; R128-M950 PolarHBondContact NH2-SD 2.92Å
129A90.2Very high88.9Confident33 Ų3330.8 Ų30.827%0.27315%0.154SC..Hα-helixtrans-60.9-42.7177.400000111.1Q99 R125 A126 S132 A133Q99-A129 HydrophobicContact CG-CB 4.17Å; Q99-A129 VanDerWaalsContact OE1-CB 3.27Å; R125-A129 PolarHBondContact O-N 3.42Å; A126-A129 PolarHBondContact O-N 2.81Å; A129-S132 PolarHBondContact O-N 3.16Å; A129-A133 WeakPolarHBondContact O-CB 3.43Å; A129-A133 PolarHBondContact O-N 3.38Å
130L91.3Very high88.9Confident0 Ų028 Ų280%014%0.142CC..Hα-helixtrans-62.7-47.5174.8179.560.9000112.4V64 T68 V96 Q99 M103 A126 A127 R128 S132 A133 V134V64-L130 HydrophobicContact CG1-CD2 4.37Å; T68-L130 HydrophobicContact CG2-CD1 4.08Å; V96-L130 HydrophobicContact CG1-CD1 4.17Å; Q99-L130 HydrophobicContact CB-CB 4.17Å; Q99-L130 HydrophobicContact CB-CD1 4.21Å; M103-L130 HydrophobicContact CB-CD2 3.97Å; M103-L130 HydrophobicContact CG-CD2 3.86Å; A126-L130 WeakPolarHBondContact O-CB 3.39Å; A126-L130 PolarHBondContact O-N 3.21Å; A127-L130 PolarHBondContact O-N 3.39Å; R128-L130 VanDerWaalsContact C-N 3.31Å; R128-L130 PolarHBondContact O-N 2.88Å; L130-S132 VanDerWaalsContact C-N 3.29Å; L130-S132 PolarHBondContact O-N 3.13Å; L130-A133 PolarHBondContact O-N 3.03Å; L130-V134 HydrophobicContact CD1-CG2 3.99Å; L130-V134 HydrophobicContact CG-CG2 4.4Å; L130-V134 WeakPolarHBondContact O-CB 3.42Å; L130-V134 VanDerWaalsContact O-CG2 3.29Å; L130-V134 WeakPolarHBondContact O-CG2 3.29Å; L130-V134 PolarHBondContact O-N 3.33Å
131L88.2Confident89.2Confident3 Ų326.4 Ų26.42%0.01614%0.14CC..Hα-helixtrans-60-40.2177-75.7174.9000112L31 V32 V35 A127 R128 T135 F947L31-L131 HydrophobicContact CB-CD2 4.39Å; L31-L131 HydrophobicContact CD2-CD2 3.79Å; L31-L131 HydrophobicContact CG-CD2 3.76Å; V32-L131 HydrophobicContact CG2-CD2 3.91Å; V35-L131 HydrophobicContact CB-CD1 4.25Å; V35-L131 HydrophobicContact CG1-CD1 3.8Å; V35-L131 HydrophobicContact CG1-CG 4.46Å; V35-L131 HydrophobicContact CG2-CD1 4.5Å; V35-L131 HydrophobicContact CG2-CD2 4.37Å; V35-L131 HydrophobicContact CG2-CG 4.34Å; A127-L131 WeakPolarHBondContact O-CB 3.3Å; A127-L131 WeakPolarHBondContact O-CG 3.32Å; A127-L131 PolarHBondContact O-N 3.05Å; R128-L131 PolarHBondContact O-N 3.42Å; L131-T135 VanDerWaalsContact O-CB 3.31Å; L131-T135 WeakPolarHBondContact O-CB 3.37Å; L131-T135 PolarHBondContact O-N 2.61Å; L131-T135 PolarHBondContact O-OG1 3.06Å; L131-F947 HydrophobicContact CD1-CD2 4.39Å; L131-F947 HydrophobicContact CD1-CE2 4.18Å
132S87.6Confident89.4Confident56 Ų5625.6 Ų25.639%0.39213%0.129SC..Hα-helixtrans-63.8-48175.9-171.90000111.7R128 A129 L130 V134 T135 R136R128-S132 WeakPolarHBondContact O-CB 3.17Å; R128-S132 PolarHBondContact O-N 3.44Å; A129-S132 PolarHBondContact O-N 3.16Å; L130-S132 VanDerWaalsContact C-N 3.29Å; L130-S132 PolarHBondContact O-N 3.13Å; S132-V134 PolarHBondContact O-N 3.45Å; S132-T135 PolarHBondContact O-N 3.33Å; S132-R136 WeakPolarHBondContact O-CB 3.16Å; S132-R136 PolarHBondContact O-N 2.75Å
133A90.4Very high89.4Confident3 Ų323.7 Ų23.73%0.02512%0.117CC..Hα-helixtrans-61.7-43.817800000112.2V96 Q99 A129 L130 R136 L137V96-A133 VanDerWaalsContact CG2-C 3.49Å; V96-A133 HydrophobicContact CG2-CB 3.77Å; V96-A133 WeakPolarHBondContact CG2-O 3.14Å; Q99-A133 HydrophobicContact CB-CB 4.44Å; Q99-A133 HydrophobicContact CG-CB 3.95Å; A129-A133 WeakPolarHBondContact O-CB 3.43Å; A129-A133 PolarHBondContact O-N 3.38Å; L130-A133 PolarHBondContact O-N 3.03Å; A133-R136 PolarHBondContact O-N 3.02Å; A133-L137 PolarHBondContact O-N 3.33Å
134V91.2Very high89.4Confident4 Ų424 Ų242%0.02412%0.12CC..Hα-helixtrans-63.7-45.1176.9167.30000111.2L28 L31 F71 V96 L130 S132 R136 L137 L138L28-V134 HydrophobicContact CD2-CG1 3.78Å; L31-V134 HydrophobicContact CD2-CB 3.93Å; L31-V134 HydrophobicContact CD2-CG1 3.77Å; L31-V134 HydrophobicContact CD2-CG2 3.7Å; F71-V134 HydrophobicContact CD1-CG2 4.12Å; F71-V134 HydrophobicContact CE1-CB 4.22Å; F71-V134 HydrophobicContact CE1-CG1 3.95Å; F71-V134 HydrophobicContact CE1-CG2 3.82Å; F71-V134 HydrophobicContact CE2-CG1 3.9Å; F71-V134 HydrophobicContact CZ-CB 4.29Å; F71-V134 HydrophobicContact CZ-CG1 3.6Å; F71-V134 HydrophobicContact CZ-CG2 4.35Å; V96-V134 HydrophobicContact CG1-CG2 3.92Å; V96-V134 HydrophobicContact CG2-CG2 4.15Å; L130-V134 HydrophobicContact CD1-CG2 3.99Å; L130-V134 HydrophobicContact CG-CG2 4.4Å; L130-V134 WeakPolarHBondContact O-CB 3.42Å; L130-V134 VanDerWaalsContact O-CG2 3.29Å; L130-V134 WeakPolarHBondContact O-CG2 3.29Å; L130-V134 PolarHBondContact O-N 3.33Å; S132-V134 PolarHBondContact O-N 3.45Å; V134-R136 VanDerWaalsContact C-N 3.32Å; V134-R136 PolarHBondContact O-N 2.94Å; V134-L137 PolarHBondContact O-N 3.44Å; V134-L138 HydrophobicContact CG1-CD1 4.23Å; V134-L138 WeakPolarHBondContact O-CG 3.25Å; V134-L138 PolarHBondContact O-N 2.97Å
135T87.7Confident89.6Confident0 Ų025.3 Ų25.30%013%0.126CC..Hα-helixtrans-61.1-43.5176.9-56.50000110.8L17 L28 L131 S132 L137 L138 I139 L944L17-T135 HydrophobicContact CD2-CG2 4.2Å; L28-T135 HydrophobicContact CD1-CG2 4.24Å; L131-T135 VanDerWaalsContact O-CB 3.31Å; L131-T135 WeakPolarHBondContact O-CB 3.37Å; L131-T135 PolarHBondContact O-N 2.61Å; L131-T135 PolarHBondContact O-OG1 3.06Å; S132-T135 PolarHBondContact O-N 3.33Å; T135-L137 PolarHBondContact O-N 2.96Å; T135-L138 PolarHBondContact O-N 3.48Å; T135-I139 HydrophobicContact CG2-CD1 3.89Å; T135-I139 WeakPolarHBondContact O-CG1 3.24Å; T135-I139 PolarHBondContact O-N 3.48Å; T135-L944 HydrophobicContact CG2-CD1 4.18Å
136R90.3Very high89.8Confident94 Ų9418.1 Ų18.136%0.35510%0.099SC..Hα-helixtrans-61.2-43.7176.8-175.7176.3179.9-89.3-6.8112.2L17 S132 A133 V134 I139 L140L17-R136 HydrophobicContact CD2-CB 4.26Å; S132-R136 WeakPolarHBondContact O-CB 3.16Å; S132-R136 PolarHBondContact O-N 2.75Å; A133-R136 PolarHBondContact O-N 3.02Å; V134-R136 VanDerWaalsContact C-N 3.32Å; V134-R136 PolarHBondContact O-N 2.94Å; R136-I139 PolarHBondContact O-N 3.35Å; R136-L140 HydrophobicContact CG-CD1 4.24Å; R136-L140 WeakPolarHBondContact O-CG 3.14Å; R136-L140 PolarHBondContact O-N 3.43Å
137L91.5Very high89.8Confident7 Ų719.3 Ų19.34%0.03710%0.104CC..Hα-helixtrans-61.8-44.5176.7178.961.6000111.7F71 L89 A92 V93 V96 A133 V134 T135 I139 L140 A141F71-L137 HydrophobicContact CD1-CD2 4.5Å; F71-L137 HydrophobicContact CE1-CD2 3.52Å; F71-L137 HydrophobicContact CE1-CG 4.46Å; F71-L137 HydrophobicContact CZ-CB 4.45Å; F71-L137 HydrophobicContact CZ-CD2 3.81Å; F71-L137 HydrophobicContact CZ-CG 4.39Å; L89-L137 HydrophobicContact CD2-CD1 3.84Å; A92-L137 HydrophobicContact CB-CB 4.14Å; A92-L137 HydrophobicContact CB-CD1 3.76Å; V93-L137 HydrophobicContact CG2-CD1 3.83Å; V93-L137 HydrophobicContact CG2-CD2 3.77Å; V96-L137 HydrophobicContact CG2-CB 4.31Å; V96-L137 HydrophobicContact CG2-CD2 4.42Å; A133-L137 PolarHBondContact O-N 3.33Å; V134-L137 PolarHBondContact O-N 3.44Å; T135-L137 PolarHBondContact O-N 2.96Å; L137-I139 VanDerWaalsContact C-N 3.35Å; L137-I139 PolarHBondContact O-N 2.85Å; L137-L140 PolarHBondContact O-N 3.21Å; L137-A141 PolarHBondContact O-N 2.97Å
138L91.3Very high89.9Confident15 Ų1523.9 Ų23.98%0.07912%0.121CC..Hα-helixtrans-64.7-37.8178.9-72.6175.7000112.7V24 L27 L28 F71 V134 T135 A141 D142V24-L138 HydrophobicContact CG1-CB 3.88Å; V24-L138 HydrophobicContact CG1-CD1 4.24Å; V24-L138 HydrophobicContact CG2-CB 4.15Å; L27-L138 HydrophobicContact CB-CD1 4.03Å; L27-L138 HydrophobicContact CB-CD2 4.29Å; L27-L138 HydrophobicContact CD1-CD2 3.73Å; L28-L138 HydrophobicContact CD1-CD1 4.37Å; L28-L138 HydrophobicContact CD2-CD1 3.7Å; L28-L138 HydrophobicContact CG-CD1 3.6Å; F71-L138 HydrophobicContact CE2-CD1 4.33Å; F71-L138 HydrophobicContact CE2-CD2 3.92Å; F71-L138 HydrophobicContact CE2-CG 4.08Å; F71-L138 HydrophobicContact CZ-CD2 4.18Å; F71-L138 HydrophobicContact CZ-CG 4.04Å; V134-L138 HydrophobicContact CG1-CD1 4.23Å; V134-L138 WeakPolarHBondContact O-CG 3.25Å; V134-L138 PolarHBondContact O-N 2.97Å; T135-L138 PolarHBondContact O-N 3.48Å; L138-A141 PolarHBondContact O-N 2.87Å; L138-D142 PolarHBondContact O-N 3.46Å
139I89.2Confident90.4Very high2 Ų221 Ų211%0.0111%0.11CC..Hα-helixtrans-66.4-42.6174.5-72.5172.3000111W12 L17 T135 R136 L137 A141 D142 M143W12-I139 HydrophobicContact CH2-CG2 4.06Å; W12-I139 HydrophobicContact CZ2-CG2 3.71Å; L17-I139 VanDerWaalsContact C-CD1 3.45Å; L17-I139 HydrophobicContact CB-CD1 4.19Å; L17-I139 HydrophobicContact CD2-CD1 4.05Å; T135-I139 HydrophobicContact CG2-CD1 3.89Å; T135-I139 WeakPolarHBondContact O-CG1 3.24Å; T135-I139 PolarHBondContact O-N 3.48Å; R136-I139 PolarHBondContact O-N 3.35Å; L137-I139 VanDerWaalsContact C-N 3.35Å; L137-I139 PolarHBondContact O-N 2.85Å; I139-A141 VanDerWaalsContact C-N 3.3Å; I139-A141 PolarHBondContact O-N 3.3Å; I139-D142 WeakPolarHBondContact O-CB 3.4Å; I139-D142 PolarHBondContact O-N 2.79Å; I139-M143 HydrophobicContact CG2-CG 4.42Å; I139-M143 HydrophobicContact CG2-SD 3.89Å; I139-M143 VanDerWaalsContact O-CG 3.25Å; I139-M143 WeakPolarHBondContact O-CG 3.41Å; I139-M143 PolarHBondContact O-N 3Å
140L89.7Confident90.6Very high3 Ų320 Ų202%0.01610%0.101CC..Hα-helixtrans-63-37.4175.2-74.1167.9000112.2P14 L85 E88 L89 A92 R136 L137 M143 A144P14-L140 HydrophobicContact CB-CD2 4.4Å; L85-L140 HydrophobicContact CD1-CD2 4.45Å; E88-L140 HydrophobicContact CB-CD1 4.32Å; E88-L140 HydrophobicContact CB-CD2 4.18Å; L89-L140 HydrophobicContact CD2-CB 3.7Å; L89-L140 HydrophobicContact CG-CB 4.47Å; A92-L140 HydrophobicContact CB-CD1 3.62Å; R136-L140 HydrophobicContact CG-CD1 4.24Å; R136-L140 WeakPolarHBondContact O-CG 3.14Å; R136-L140 PolarHBondContact O-N 3.43Å; L137-L140 PolarHBondContact O-N 3.21Å; L140-M143 HydrophobicContact CD2-SD 4.12Å; L140-M143 PolarHBondContact O-N 2.91Å; L140-A144 PolarHBondContact O-N 2.67Å
141A90.1Very high90.7Very high19 Ų1922.2 Ų22.216%0.15712%0.116CC..Hα-helixtrans-64.1-43.517400000111.6L89 L137 L138 I139 M143 A144 D145L89-A141 HydrophobicContact CD2-CB 4.37Å; L137-A141 PolarHBondContact O-N 2.97Å; L138-A141 PolarHBondContact O-N 2.87Å; I139-A141 VanDerWaalsContact C-N 3.3Å; I139-A141 PolarHBondContact O-N 3.3Å; A141-M143 VanDerWaalsContact C-N 3.33Å; A141-M143 PolarHBondContact O-N 2.64Å; A141-A144 WeakPolarHBondContact O-CB 3.47Å; A141-A144 PolarHBondContact O-N 3.12Å; A141-D145 PolarHBondContact O-N 3.05Å
142D90.5Very high91.1Very high7 Ų724 Ų244%0.03712%0.124CC..Hα-helixtrans-61.7-40.7174.1-165.374.8000112W12 T21 V24 L138 I139 A144 D145 V146 R193W12-D142 HydrophobicContact CH2-CB 3.93Å; W12-D142 WeakPolarHBondContact CH2-OD2 3.47Å; W12-D142 HydrophobicContact CZ3-CB 4.16Å; W12-D142 WeakPolarHBondContact CZ3-OD2 3.21Å; T21-D142 WeakPolarHBondContact CG2-OD1 3.5Å; T21-D142 PolarHBondContact OG1-OD1 3.4Å; V24-D142 HydrophobicContact CG2-CB 4.35Å; L138-D142 PolarHBondContact O-N 3.46Å; I139-D142 WeakPolarHBondContact O-CB 3.4Å; I139-D142 PolarHBondContact O-N 2.79Å; D142-A144 PolarHBondContact O-N 3.33Å; D142-D145 WeakPolarHBondContact O-CB 3.45Å; D142-D145 PolarHBondContact O-N 3.41Å; D142-V146 WeakPolarHBondContact O-CG2 3.47Å; D142-V146 PolarHBondContact O-N 3Å; D142-R193 IonicContact OD1-CZ 3.13Å; D142-R193 IonicContact OD1-NH1 3.84Å; D142-R193 PolarHBondContact OD1-NH1 3.23Å; D142-R193 IonicContact OD1-NH2 3.16Å; D142-R193 IonicContact OD2-CZ 3.28Å; D142-R193 IonicContact OD2-NH1 2.61Å; D142-R193 PolarHBondContact OD2-NH1 2.98Å; D142-R193 IonicContact OD2-NH2 3.53Å; D142-R193 PolarHBondContact OD2-NH2 3.13Å
143M89.3Confident91.5Very high8 Ų821.5 Ų21.54%0.03911%0.106CC..Hα-helixtrans-63.1-39.8174.8-71.3166.271.600112.1L10 W12 P14 L85 I139 L140 A141 D145 V146 M147L10-M143 HydrophobicContact CD2-CB 4.27Å; L10-M143 HydrophobicContact CD2-CE 3.14Å; L10-M143 HydrophobicContact CD2-CG 4.09Å; L10-M143 HydrophobicContact CD2-SD 4.42Å; W12-M143 HydrophobicContact CD2-CG 3.84Å; W12-M143 HydrophobicContact CD2-SD 4.5Å; W12-M143 HydrophobicContact CE3-CB 4.31Å; W12-M143 HydrophobicContact CE3-CG 3.26Å; W12-M143 HydrophobicContact CE3-SD 4.46Å; W12-M143 HydrophobicContact CH2-CG 3.94Å; W12-M143 HydrophobicContact CZ2-CG 4.46Å; W12-M143 HydrophobicContact CZ3-CB 4.21Å; W12-M143 HydrophobicContact CZ3-CG 3.32Å; P14-M143 HydrophobicContact CB-CE 3.98Å; P14-M143 HydrophobicContact CB-SD 3.65Å; P14-M143 HydrophobicContact CG-CE 3.9Å; P14-M143 HydrophobicContact CG-SD 4.26Å; L85-M143 HydrophobicContact CD1-CB 3.7Å; L85-M143 HydrophobicContact CD1-CE 4.49Å; I139-M143 HydrophobicContact CG2-CG 4.42Å; I139-M143 HydrophobicContact CG2-SD 3.89Å; I139-M143 VanDerWaalsContact O-CG 3.25Å; I139-M143 WeakPolarHBondContact O-CG 3.41Å; I139-M143 PolarHBondContact O-N 3Å; L140-M143 HydrophobicContact CD2-SD 4.12Å; L140-M143 PolarHBondContact O-N 2.91Å; A141-M143 VanDerWaalsContact C-N 3.33Å; A141-M143 PolarHBondContact O-N 2.64Å; M143-D145 VanDerWaalsContact C-N 3.31Å; M143-D145 PolarHBondContact O-N 3.16Å; M143-V146 PolarHBondContact O-N 3Å; M143-M147 WeakPolarHBondContact O-CG 3.46Å; M143-M147 PolarHBondContact O-N 2.92Å
144A90Very high91.7Very high8 Ų823.5 Ų23.57%0.06611%0.114CC..Hα-helixtrans-63.1-39.1174.800000111.3D84 L85 L89 L140 A141 D142 M147 R148D84-A144 HydrophobicContact CB-CB 4.46Å; L85-A144 HydrophobicContact CD1-CB 4.48Å; L89-A144 HydrophobicContact CD1-CB 4.37Å; L140-A144 PolarHBondContact O-N 2.67Å; A141-A144 WeakPolarHBondContact O-CB 3.47Å; A141-A144 PolarHBondContact O-N 3.12Å; D142-A144 PolarHBondContact O-N 3.33Å; A144-M147 PolarHBondContact O-N 3.33Å; A144-R148 PolarHBondContact O-N 2.86Å
145D90.6Very high91.9Very high50 Ų5026.4 Ų26.427%0.26713%0.129SC..Hα-helixtrans-62.9-40.4172.7-80.3-34000112.8A141 D142 M143 R148 L149 R192A141-D145 PolarHBondContact O-N 3.05Å; D142-D145 WeakPolarHBondContact O-CB 3.45Å; D142-D145 PolarHBondContact O-N 3.41Å; M143-D145 VanDerWaalsContact C-N 3.31Å; M143-D145 PolarHBondContact O-N 3.16Å; D145-R148 PolarHBondContact O-N 3.34Å; D145-R148 IonicContact OD1-CZ 3.4Å; D145-R148 IonicContact OD1-NE 2.7Å; D145-R148 IonicContact OD1-NH2 3.1Å; D145-R148 PolarHBondContact OD1-NH2 3.34Å; D145-L149 PolarHBondContact O-N 3.43Å; D145-R192 IonicContact OD1-NH2 2.94Å
146V91.8Very high92.3Very high0 Ų026.4 Ų26.40%013%0.129CC..Hα-helixtrans-64.5-44.6173.1174.20000110.8L10 W12 D142 M143 R148 L149 L150 R193 Q259L10-V146 HydrophobicContact CD1-CB 4.47Å; L10-V146 HydrophobicContact CD1-CG1 3.98Å; W12-V146 HydrophobicContact CZ3-CG2 4.47Å; D142-V146 WeakPolarHBondContact O-CG2 3.47Å; D142-V146 PolarHBondContact O-N 3Å; M143-V146 PolarHBondContact O-N 3Å; V146-R148 VanDerWaalsContact C-N 3.31Å; V146-R148 PolarHBondContact O-N 3.21Å; V146-L149 WeakPolarHBondContact O-CB 3.32Å; V146-L149 PolarHBondContact O-N 2.98Å; V146-L149 VanDerWaalsContact O-N 3.1Å; V146-L150 HydrophobicContact CG1-CD1 4.08Å; V146-L150 HydrophobicContact CG1-CG 4.26Å; V146-L150 WeakPolarHBondContact O-CG 3.37Å; V146-L150 PolarHBondContact O-N 3.3Å; V146-R193 VanDerWaalsContact CG2-CZ 3.42Å; V146-R193 VanDerWaalsContact CG2-NH2 3.27Å; V146-Q259 HydrophobicContact CG1-CG 3.96Å
147M91.3Very high92.6Very high31 Ų3126.4 Ų26.415%0.15313%0.133CC..Hα-helixtrans-59.6-41.8176.7-75.3-171.86300112.1L10 D84 L85 M143 A144 L149 L150 S151L10-M147 HydrophobicContact CD1-CG 3.81Å; D84-M147 HydrophobicContact CB-CB 4.03Å; D84-M147 HydrophobicContact CB-CE 4.13Å; D84-M147 HydrophobicContact CB-SD 4.21Å; L85-M147 HydrophobicContact CD1-SD 3.95Å; L85-M147 HydrophobicContact CD2-SD 3.82Å; L85-M147 HydrophobicContact CG-SD 3.61Å; M143-M147 WeakPolarHBondContact O-CG 3.46Å; M143-M147 PolarHBondContact O-N 2.92Å; A144-M147 PolarHBondContact O-N 3.33Å; M147-L149 VanDerWaalsContact C-N 3.34Å; M147-L149 PolarHBondContact O-N 3.5Å; M147-L150 PolarHBondContact O-N 2.94Å; M147-S151 WeakPolarHBondContact O-CB 3.31Å; M147-S151 PolarHBondContact O-N 3.39Å
148R91.6Very high92.9Very high96 Ų9630.9 Ų30.936%0.36215%0.154SC..Hα-helixtrans-60.2-43.5173.4177170.460.2-179.9-8.4112A144 D145 V146 S151 H152A144-R148 PolarHBondContact O-N 2.86Å; D145-R148 PolarHBondContact O-N 3.34Å; D145-R148 IonicContact OD1-CZ 3.4Å; D145-R148 IonicContact OD1-NE 2.7Å; D145-R148 IonicContact OD1-NH2 3.1Å; D145-R148 PolarHBondContact OD1-NH2 3.34Å; V146-R148 VanDerWaalsContact C-N 3.31Å; V146-R148 PolarHBondContact O-N 3.21Å; R148-S151 WeakPolarHBondContact O-CB 3.3Å; R148-S151 PolarHBondContact O-N 2.93Å; R148-H152 PolarHBondContact O-CD2 3.34Å; R148-H152 PolarHBondContact O-N 3.27Å
149L94.4Very high93.1Very high1 Ų131 Ų311%0.00516%0.157CC..Hα-helixtrans-62.5-43.5175175.258000111.7D145 V146 M147 S151 H152 L153 L186 V189 A190 R193 M206 A258D145-L149 PolarHBondContact O-N 3.43Å; V146-L149 WeakPolarHBondContact O-CB 3.32Å; V146-L149 PolarHBondContact O-N 2.98Å; V146-L149 VanDerWaalsContact O-N 3.1Å; M147-L149 VanDerWaalsContact C-N 3.34Å; M147-L149 PolarHBondContact O-N 3.5Å; L149-S151 VanDerWaalsContact C-N 3.3Å; L149-S151 PolarHBondContact O-N 3.1Å; L149-H152 PolarHBondContact O-N 2.96Å; L149-L153 HydrophobicContact CG-CD1 4.35Å; L149-L153 WeakPolarHBondContact O-CG 3.49Å; L149-L153 PolarHBondContact O-N 3.09Å; L149-L186 HydrophobicContact CD1-CD1 3.66Å; L149-V189 HydrophobicContact CB-CG1 3.93Å; L149-V189 HydrophobicContact CD1-CB 4.18Å; L149-V189 HydrophobicContact CD1-CG1 3.93Å; L149-V189 HydrophobicContact CG-CG1 4.45Å; L149-A190 HydrophobicContact CD1-CB 4.08Å; L149-R193 HydrophobicContact CD2-CB 3.97Å; L149-R193 HydrophobicContact CD2-CG 3.96Å; L149-M206 HydrophobicContact CD2-CE 3.72Å; L149-A258 HydrophobicContact CD2-CB 3.53Å; L149-A258 HydrophobicContact CG-CB 4.48Å
150L94.4Very high93.5Very high14 Ų1431 Ų317%0.07316%0.157CC..Hα-helixtrans-63.4-35.7176.1-65.1176.2000112.3I8 L10 V146 M147 L153 K154 S255 Q259I8-L150 HydrophobicContact CG2-CB 3.89Å; I8-L150 HydrophobicContact CG2-CD1 3.83Å; L10-L150 HydrophobicContact CD1-CD1 4.24Å; V146-L150 HydrophobicContact CG1-CD1 4.08Å; V146-L150 HydrophobicContact CG1-CG 4.26Å; V146-L150 WeakPolarHBondContact O-CG 3.37Å; V146-L150 PolarHBondContact O-N 3.3Å; M147-L150 PolarHBondContact O-N 2.94Å; L150-L153 HydrophobicContact CD2-CD1 3.99Å; L150-L153 WeakPolarHBondContact O-CB 3.42Å; L150-L153 PolarHBondContact O-N 3.49Å; L150-K154 PolarHBondContact O-N 3.32Å; L150-S255 WeakPolarHBondContact CD2-OG 3.4Å; L150-Q259 HydrophobicContact CD1-CG 4.22Å; L150-Q259 HydrophobicContact CD2-CG 4.31Å
151S94.1Very high93.8Very high45 Ų4534.3 Ų34.332%0.31517%0.172SC..Hα-helixtrans-62.8-45.4172.9-174.90000111.5M147 R148 L149 L153 K154 I155M147-S151 WeakPolarHBondContact O-CB 3.31Å; M147-S151 PolarHBondContact O-N 3.39Å; R148-S151 WeakPolarHBondContact O-CB 3.3Å; R148-S151 PolarHBondContact O-N 2.93Å; L149-S151 VanDerWaalsContact C-N 3.3Å; L149-S151 PolarHBondContact O-N 3.1Å; S151-L153 PolarHBondContact O-N 3.49Å; S151-K154 PolarHBondContact O-N 2.91Å; S151-I155 WeakPolarHBondContact O-CG1 3.31Å; S151-I155 PolarHBondContact O-N 2.93Å
152H95.3Very high94.1Very high40 Ų4035 Ų3519%0.18518%0.177CC..Hα-helixtrans-61.9-40173.3-78-64.9000113.1R148 L149 K154 I155 V156 L186R148-H152 PolarHBondContact O-CD2 3.34Å; R148-H152 PolarHBondContact O-N 3.27Å; L149-H152 PolarHBondContact O-N 2.96Å; H152-K154 VanDerWaalsContact C-N 3.35Å; H152-I155 PolarHBondContact O-N 3.32Å; H152-V156 WeakPolarHBondContact O-CG2 3.26Å; H152-V156 PolarHBondContact O-N 2.87Å; H152-L186 HydrophobicContact CB-CD1 4.14Å
153L95.9Very high94.3Very high4 Ų434.6 Ų34.62%0.02118%0.176CC..Hα-helixtrans-59.4-46.7174.9-76.5162.7000111.1L149 L150 S151 I155 V156 E157 L186 I251 I254L149-L153 HydrophobicContact CG-CD1 4.35Å; L149-L153 WeakPolarHBondContact O-CG 3.49Å; L149-L153 PolarHBondContact O-N 3.09Å; L150-L153 HydrophobicContact CD2-CD1 3.99Å; L150-L153 WeakPolarHBondContact O-CB 3.42Å; L150-L153 PolarHBondContact O-N 3.49Å; S151-L153 PolarHBondContact O-N 3.49Å; L153-I155 PolarHBondContact O-N 3.15Å; L153-V156 WeakPolarHBondContact O-CB 3.45Å; L153-V156 PolarHBondContact O-N 3.36Å; L153-V156 VanDerWaalsContact O-N 3.13Å; L153-E157 WeakPolarHBondContact O-CG 3.29Å; L153-E157 PolarHBondContact O-N 3.18Å; L153-L186 HydrophobicContact CD2-CD1 3.63Å; L153-L186 HydrophobicContact CD2-CD2 3.72Å; L153-L186 HydrophobicContact CD2-CG 4.3Å; L153-L186 HydrophobicContact CG-CD1 3.68Å; L153-I251 HydrophobicContact CB-CG2 4.36Å; L153-I251 HydrophobicContact CD2-CB 4.4Å; L153-I251 HydrophobicContact CD2-CG2 3.7Å; L153-I254 HydrophobicContact CD1-CG2 4.1Å; L153-I254 HydrophobicContact CD2-CB 3.98Å; L153-I254 HydrophobicContact CD2-CG2 3.93Å; L153-I254 HydrophobicContact CG-CG2 4.46Å
154K95.3Very high94.6Very high46 Ų4637.5 Ų37.520%0.219%0.188CC..Hα-helixtrans-60.9-42.3177.8-174.6175.8179.1178.40112.9S6 L150 S151 H152 V156 E157 E158S6-K154 PolarHBondContact O-NZ 2.94Å; L150-K154 PolarHBondContact O-N 3.32Å; S151-K154 PolarHBondContact O-N 2.91Å; H152-K154 VanDerWaalsContact C-N 3.35Å; K154-V156 VanDerWaalsContact C-N 3.28Å; K154-V156 PolarHBondContact O-N 3Å; K154-E157 WeakPolarHBondContact O-CB 3.26Å; K154-E157 PolarHBondContact O-N 3.22Å; K154-E158 WeakPolarHBondContact CE-OE1 3.36Å; K154-E158 WeakPolarHBondContact O-CG 3.35Å; K154-E158 PolarHBondContact O-N 3.22Å
155I96.3Very high94.8Very high65 Ų6541.2 Ų41.233%0.33321%0.207SC..Hα-helixtrans-60.6-41.2175.2-67.4166.1000110.7S151 H152 L153 E158 A159 E182S151-I155 WeakPolarHBondContact O-CG1 3.31Å; S151-I155 PolarHBondContact O-N 2.93Å; H152-I155 PolarHBondContact O-N 3.32Å; L153-I155 PolarHBondContact O-N 3.15Å; I155-E158 PolarHBondContact O-N 3.09Å; I155-A159 WeakPolarHBondContact O-CB 3.45Å; I155-A159 PolarHBondContact O-N 3.39Å; I155-E182 HydrophobicContact CG2-CB 4.17Å; I155-E182 HydrophobicContact CG2-CG 3.71Å
156V96.2Very high95.1Very high0 Ų039.2 Ų39.20%020%0.197CC..Hα-helixtrans-67.4-38.4176.6171.60000111.7H152 L153 K154 A159 L160 F179 E182 M183 L186 I251H152-V156 WeakPolarHBondContact O-CG2 3.26Å; H152-V156 PolarHBondContact O-N 2.87Å; L153-V156 WeakPolarHBondContact O-CB 3.45Å; L153-V156 PolarHBondContact O-N 3.36Å; L153-V156 VanDerWaalsContact O-N 3.13Å; K154-V156 VanDerWaalsContact C-N 3.28Å; K154-V156 PolarHBondContact O-N 3Å; V156-A159 PolarHBondContact O-N 3.21Å; V156-L160 WeakPolarHBondContact O-CB 3.28Å; V156-L160 PolarHBondContact O-N 3.15Å; V156-F179 HydrophobicContact CG1-CD2 4.35Å; V156-F179 HydrophobicContact CG1-CE2 3.74Å; V156-E182 HydrophobicContact CG2-CB 3.81Å; V156-M183 HydrophobicContact CG1-CG 4.29Å; V156-M183 HydrophobicContact CG1-SD 3.79Å; V156-L186 HydrophobicContact CB-CD2 4.07Å; V156-L186 HydrophobicContact CG1-CD2 4.09Å; V156-L186 HydrophobicContact CG2-CB 3.88Å; V156-L186 HydrophobicContact CG2-CD2 3.79Å; V156-L186 HydrophobicContact CG2-CG 4.44Å; V156-I251 HydrophobicContact CG1-CD1 3.89Å; V156-I251 HydrophobicContact CG1-CG1 4.46Å
157E96.1Very high95.1Very high94 Ų9444 Ų4444%0.43923%0.227SC..Hα-helixtrans-61.1-44.4173.4-71.3176.5158.100112.1L153 K154 L160 E161 I251L153-E157 WeakPolarHBondContact O-CG 3.29Å; L153-E157 PolarHBondContact O-N 3.18Å; K154-E157 WeakPolarHBondContact O-CB 3.26Å; K154-E157 PolarHBondContact O-N 3.22Å; E157-L160 WeakPolarHBondContact O-CB 3.46Å; E157-L160 PolarHBondContact O-N 3.3Å; E157-E161 PolarHBondContact O-N 3.15Å; E157-I251 HydrophobicContact CG-CD1 4.01Å; E157-I251 HydrophobicContact CG-CG2 3.62Å; E157-I251 WeakPolarHBondContact OE1-CG2 3.39Å
158E96.8Very high95.3Very high101 Ų10146.2 Ų46.247%0.47224%0.239SC..Hα-helixtrans-63.8-43.1176.7-71173.6-172.600111.3K154 I155 E161 A162K154-E158 WeakPolarHBondContact CE-OE1 3.36Å; K154-E158 WeakPolarHBondContact O-CG 3.35Å; K154-E158 PolarHBondContact O-N 3.22Å; I155-E158 PolarHBondContact O-N 3.09Å; E158-E161 PolarHBondContact O-N 3.22Å; E158-A162 PolarHBondContact O-N 3.22Å
159A96.1Very high95.4Very high17 Ų1744.4 Ų44.414%0.1423%0.234CC..Hα-helixtrans-65.8-37.5175.500000112.4I155 V156 A162 V163 F179I155-A159 WeakPolarHBondContact O-CB 3.45Å; I155-A159 PolarHBondContact O-N 3.39Å; V156-A159 PolarHBondContact O-N 3.21Å; A159-A162 WeakPolarHBondContact O-CB 3.36Å; A159-A162 PolarHBondContact O-N 2.85Å; A159-V163 WeakPolarHBondContact O-CG2 3.47Å; A159-V163 PolarHBondContact O-N 3.28Å; A159-F179 HydrophobicContact CB-CB 4.25Å; A159-F179 HydrophobicContact CB-CD2 4.16Å
160L96.6Very high95.5Very high2 Ų250.2 Ų50.21%0.0126%0.262CS..Hα-helixtrans-63.3-46.217517460.1000111.3V156 E157 A162 V163 K164 F179 L220 F244 V247 Q248 I251V156-L160 WeakPolarHBondContact O-CB 3.28Å; V156-L160 PolarHBondContact O-N 3.15Å; E157-L160 WeakPolarHBondContact O-CB 3.46Å; E157-L160 PolarHBondContact O-N 3.3Å; L160-A162 VanDerWaalsContact C-N 3.25Å; L160-A162 PolarHBondContact O-N 3.48Å; L160-V163 WeakPolarHBondContact O-CB 3.26Å; L160-V163 PolarHBondContact O-N 3.3Å; L160-V163 VanDerWaalsContact O-N 3.09Å; L160-K164 PolarHBondContact O-N 3.47Å; L160-F179 HydrophobicContact CB-CD2 4.19Å; L160-F179 HydrophobicContact CB-CE2 3.91Å; L160-F179 HydrophobicContact CD1-CE2 4.26Å; L160-F179 HydrophobicContact CD1-CZ 4.5Å; L160-L220 HydrophobicContact CD1-CD2 3.5Å; L160-L220 VanDerWaalsContact CD1-CD2 3.5Å; L160-F244 HydrophobicContact CD1-CD2 3.73Å; L160-F244 HydrophobicContact CD1-CE2 3.65Å; L160-F244 HydrophobicContact CD2-CE2 4.12Å; L160-F244 HydrophobicContact CD2-CZ 4.37Å; L160-F244 HydrophobicContact CG-CD2 4.01Å; L160-F244 HydrophobicContact CG-CE2 3.44Å; L160-F244 VanDerWaalsContact CG-CE2 3.44Å; L160-F244 HydrophobicContact CG-CZ 4.03Å; L160-V247 HydrophobicContact CD1-CB 4.32Å; L160-V247 HydrophobicContact CD1-CG1 3.86Å; L160-V247 HydrophobicContact CD2-CB 4.06Å; L160-V247 HydrophobicContact CD2-CG1 3.47Å; L160-V247 VanDerWaalsContact CD2-CG1 3.47Å; L160-V247 HydrophobicContact CG-CG1 4.25Å; L160-Q248 HydrophobicContact CD2-CG 3.88Å; L160-I251 HydrophobicContact CD2-CD1 3.84Å
161E96.3Very high95.6Very high73 Ų7351 Ų5134%0.34127%0.266SS..Hα-helixtrans-62.9-35.2175.5-171.556.9-143.300111.1E157 E158 K164 N165 F244E157-E161 PolarHBondContact O-N 3.15Å; E158-E161 PolarHBondContact O-N 3.22Å; E161-K164 PolarHBondContact O-N 3.03Å; E161-N165 PolarHBondContact O-N 2.87Å; E161-N165 PolarHBondContact O-ND2 3.12Å; E161-N165 PolarHBondContact OE1-ND2 3.04Å; E161-F244 VanDerWaalsContact OE2-CZ 3.3Å; E161-F244 WeakPolarHBondContact OE2-CZ 3.44Å
162A96.3Very high95.7Very high32 Ų3248.9 Ų48.926%0.26425%0.251SS..Hα-helixtrans-61.6-43.9171.500000111.6E158 A159 L160 K164 N165 A166 R175E158-A162 PolarHBondContact O-N 3.22Å; A159-A162 WeakPolarHBondContact O-CB 3.36Å; A159-A162 PolarHBondContact O-N 2.85Å; L160-A162 VanDerWaalsContact C-N 3.25Å; L160-A162 PolarHBondContact O-N 3.48Å; A162-K164 VanDerWaalsContact C-N 3.32Å; A162-K164 PolarHBondContact O-N 2.96Å; A162-N165 CarbonylContact O-C 3.56Å; A162-N165 PolarHBondContact O-N 3.06Å; A162-N165 VanDerWaalsContact O-N 3.12Å; A162-A166 PolarHBondContact O-N 3.11Å; A162-R175 VanDerWaalsContact C-CD 3.5Å; A162-R175 WeakPolarHBondContact O-CD 3.25Å; A162-R175 PolarHBondContact O-NH1 2.83Å
163V96.1Very high95.8Very high0 Ų048.5 Ų48.50%026%0.255CS..Hα-helixtrans-59.3-41.4174.7170.50000111.6A159 L160 N165 A166 L172 R175 F176 F179 L220 R240A159-V163 WeakPolarHBondContact O-CG2 3.47Å; A159-V163 PolarHBondContact O-N 3.28Å; L160-V163 WeakPolarHBondContact O-CB 3.26Å; L160-V163 PolarHBondContact O-N 3.3Å; L160-V163 VanDerWaalsContact O-N 3.09Å; V163-N165 VanDerWaalsContact C-N 3.28Å; V163-N165 PolarHBondContact O-N 3.12Å; V163-A166 VanDerWaalsContact O-CB 3.31Å; V163-A166 WeakPolarHBondContact O-CB 3.47Å; V163-A166 PolarHBondContact O-N 3.5Å; V163-L172 HydrophobicContact CG1-CD1 3.82Å; V163-R175 HydrophobicContact CG2-CB 4.13Å; V163-F176 HydrophobicContact CG1-CD2 4.25Å; V163-F176 HydrophobicContact CG2-CB 4.43Å; V163-F176 HydrophobicContact CG2-CD2 4.32Å; V163-F179 HydrophobicContact CG2-CB 3.85Å; V163-F179 HydrophobicContact CG2-CG 4.29Å; V163-L220 HydrophobicContact CG1-CD2 4.12Å; V163-L220 HydrophobicContact CG1-CG 4.26Å; V163-R240 PolarHBondContact O-NH2 3.34Å
164K94.4Very high95.8Very high69 Ų6952.3 Ų52.330%0.328%0.275SS..Hα-helixtrans-65.9-29.3175.2-178.2176.3176.6-175.80113.5L160 E161 A162 A166 R240 F244L160-K164 PolarHBondContact O-N 3.47Å; E161-K164 PolarHBondContact O-N 3.03Å; A162-K164 VanDerWaalsContact C-N 3.32Å; A162-K164 PolarHBondContact O-N 2.96Å; K164-A166 VanDerWaalsContact C-N 3.34Å; K164-R240 VanDerWaalsContact CA-NH2 3.32Å; K164-R240 VanDerWaalsContact O-CZ 3.29Å; K164-R240 PolarHBondContact O-NH1 2.96Å; K164-R240 PolarHBondContact O-NH2 3.16Å; K164-F244 HydrophobicContact CB-CD2 3.82Å; K164-F244 HydrophobicContact CB-CE2 3.43Å; K164-F244 VanDerWaalsContact CB-CE2 3.43Å; K164-F244 HydrophobicContact CB-CZ 4.08Å; K164-F244 HydrophobicContact CD-CD1 3.9Å; K164-F244 HydrophobicContact CD-CD2 3.81Å; K164-F244 HydrophobicContact CD-CE1 3.6Å; K164-F244 HydrophobicContact CD-CE2 3.51Å; K164-F244 HydrophobicContact CD-CG 3.99Å; K164-F244 HydrophobicContact CD-CZ 3.42Å; K164-F244 VanDerWaalsContact CD-CZ 3.42Å; K164-F244 HydrophobicContact CG-CD2 4.23Å; K164-F244 HydrophobicContact CG-CE2 4.05Å; K164-F244 HydrophobicContact CG-CZ 4.4Å
165N94.8Very high95.9Very high85 Ų8553 Ų5346%0.45528%0.277SS..THydrogen-bonded Turntrans-94.513.2178-66-48.9000113.4E161 A162 V163 R175E161-N165 PolarHBondContact O-N 2.87Å; E161-N165 PolarHBondContact O-ND2 3.12Å; E161-N165 PolarHBondContact OE1-ND2 3.04Å; A162-N165 CarbonylContact O-C 3.56Å; A162-N165 PolarHBondContact O-N 3.06Å; A162-N165 VanDerWaalsContact O-N 3.12Å; V163-N165 VanDerWaalsContact C-N 3.28Å; V163-N165 PolarHBondContact O-N 3.12Å; N165-R175 PolarHBondContact O-NH1 2.97Å; N165-R175 VanDerWaalsContact O-NH1 3.09Å
166A95.8Very high95.9Very high8 Ų852 Ų527%0.06627%0.27CS..  trans-60.8138.8171.900000110.5A162 V163 K164 D171 L172 L228A162-A166 PolarHBondContact O-N 3.11Å; V163-A166 VanDerWaalsContact O-CB 3.31Å; V163-A166 WeakPolarHBondContact O-CB 3.47Å; V163-A166 PolarHBondContact O-N 3.5Å; K164-A166 VanDerWaalsContact C-N 3.34Å; A166-D171 WeakPolarHBondContact CA-OD2 3.43Å; A166-L172 HydrophobicContact CB-CB 3.87Å; A166-L172 HydrophobicContact CB-CD1 4.11Å; A166-L228 HydrophobicContact CB-CD1 4.39Å; A166-L228 WeakPolarHBondContact O-CD2 3.21Å
167T93.9Very high95.9Very high102 Ų10258.8 Ų58.863%0.62630%0.299SS*.  trans-102.1-21.9-173.256.30000113.9D171T167-D171 PolarHBondContact N-OD2 2.94Å; T167-D171 PolarHBondContact OG1-OD2 3.02Å; T167-D171 VanDerWaalsContact OG1-OD2 3.1Å
168N95.1Very high95.9Very high76 Ų7659.9 Ų59.941%0.40631%0.305SS..SBendtrans-154.6169.8-179.363.376.3000110.3Q170 D171 L172N168-Q170 VanDerWaalsContact C-N 3.35Å; N168-Q170 PolarHBondContact O-N 3.42Å; N168-Q170 WeakPolarHBondContact OD1-CB 3.45Å; N168-Q170 PolarHBondContact OD1-N 3.19Å; N168-Q170 VanDerWaalsContact OD1-N 3.13Å; N168-D171 PolarHBondContact O-N 3.21Å; N168-D171 PolarHBondContact OD1-N 2.96Å; N168-L172 WeakPolarHBondContact O-CB 3.37Å; N168-L172 PolarHBondContact O-N 3.46Å
169E93.7Very high95.9Very high58 Ų5855.2 Ų55.227%0.27128%0.283SS..Hα-helixtrans-62-36.9-174.4-66.9177.7-161.800113.8L172 A173 Q225 R229E169-L172 PolarHBondContact O-N 3.31Å; E169-A173 WeakPolarHBondContact O-CB 3.31Å; E169-A173 PolarHBondContact O-N 3.46Å; E169-Q225 HydrophobicContact CG-CG 4.28Å; E169-R229 VanDerWaalsContact OE1-CD 3.26Å; E169-R229 WeakPolarHBondContact OE1-CD 3.46Å; E169-R229 IonicContact OE1-CZ 3.62Å; E169-R229 IonicContact OE1-NE 2.67Å; E169-R229 IonicContact OE1-NH1 3.53Å; E169-R229 PolarHBondContact OE1-NH1 2.8Å; E169-R229 IonicContact OE2-NH1 3.51Å
170Q94.9Very high95.8Very high123 Ų12355.8 Ų55.858%0.57529%0.29SS*.Hα-helixtrans-70.4-41.9178.9-174.662.148.700111.3N168 A173 N174N168-Q170 VanDerWaalsContact C-N 3.35Å; N168-Q170 PolarHBondContact O-N 3.42Å; N168-Q170 WeakPolarHBondContact OD1-CB 3.45Å; N168-Q170 PolarHBondContact OD1-N 3.19Å; N168-Q170 VanDerWaalsContact OD1-N 3.13Å; Q170-A173 PolarHBondContact O-N 2.86Å; Q170-N174 PolarHBondContact NE2-OD1 3.24Å; Q170-N174 VanDerWaalsContact O-CG 3.26Å; Q170-N174 PolarHBondContact O-N 3.21Å; Q170-N174 PolarHBondContact O-ND2 3.35Å
171D97.4Very high95.8Very high31 Ų3161.3 Ų61.317%0.16631%0.314CS..Hα-helixtrans-61.4-45.2172.9-17629.5000110.7A166 T167 N168 A173 N174 R175A166-D171 WeakPolarHBondContact CA-OD2 3.43Å; T167-D171 PolarHBondContact N-OD2 2.94Å; T167-D171 PolarHBondContact OG1-OD2 3.02Å; T167-D171 VanDerWaalsContact OG1-OD2 3.1Å; N168-D171 PolarHBondContact O-N 3.21Å; N168-D171 PolarHBondContact OD1-N 2.96Å; D171-A173 PolarHBondContact O-N 3.18Å; D171-N174 PolarHBondContact O-N 3.28Å; D171-R175 WeakPolarHBondContact O-CG 3.43Å; D171-R175 PolarHBondContact O-N 3.45Å; D171-R175 IonicContact OD1-CZ 2.81Å; D171-R175 IonicContact OD1-NE 3.89Å; D171-R175 PolarHBondContact OD1-NE 3.09Å; D171-R175 IonicContact OD1-NH2 3.01Å; D171-R175 PolarHBondContact OD1-NH2 3.09Å; D171-R175 IonicContact OD2-CZ 2.63Å; D171-R175 IonicContact OD2-NE 3.71Å; D171-R175 PolarHBondContact OD2-NE 2.91Å; D171-R175 IonicContact OD2-NH2 3.95Å; D171-R175 PolarHBondContact OD2-NH2 3.1Å
172L97Very high95.8Very high0 Ų059.6 Ų59.60%031%0.306CS..Hα-helixtrans-57-48.5173.8175.465.3000111.6V163 A166 N168 E169 N174 R175 F176 Y221 Q225 L228V163-L172 HydrophobicContact CG1-CD1 3.82Å; A166-L172 HydrophobicContact CB-CB 3.87Å; A166-L172 HydrophobicContact CB-CD1 4.11Å; N168-L172 WeakPolarHBondContact O-CB 3.37Å; N168-L172 PolarHBondContact O-N 3.46Å; E169-L172 PolarHBondContact O-N 3.31Å; L172-N174 VanDerWaalsContact C-N 3.32Å; L172-N174 PolarHBondContact O-N 3.44Å; L172-R175 PolarHBondContact O-N 3.03Å; L172-F176 WeakPolarHBondContact O-CB 3.36Å; L172-F176 PolarHBondContact O-N 2.87Å; L172-Y221 HydrophobicContact CD2-CD2 4.33Å; L172-Y221 HydrophobicContact CD2-CE2 4.18Å; L172-Y221 HydrophobicContact CG-CD2 4.28Å; L172-Y221 HydrophobicContact CG-CE2 4.06Å; L172-Q225 HydrophobicContact CD2-CB 3.9Å; L172-Q225 HydrophobicContact CD2-CG 4.46Å; L172-L228 HydrophobicContact CB-CD1 3.76Å; L172-L228 HydrophobicContact CD2-CD1 3.83Å; L172-L228 HydrophobicContact CG-CD1 4.29Å
173A96Very high95.7Very high32 Ų3259.3 Ų59.326%0.26430%0.3SS..Hα-helixtrans-60.1-41.8179.500000112.1E169 Q170 D171 K177E169-A173 WeakPolarHBondContact O-CB 3.31Å; E169-A173 PolarHBondContact O-N 3.46Å; Q170-A173 PolarHBondContact O-N 2.86Å; D171-A173 PolarHBondContact O-N 3.18Å; A173-K177 WeakPolarHBondContact O-CB 3.42Å; A173-K177 PolarHBondContact O-N 2.84Å
174N97.1Very high95.7Very high84 Ų8464.3 Ų64.345%0.44933%0.33SS..Hα-helixtrans-65.5-49.9177.4-69.5-19.5000111.7Q170 D171 L172 F176 K177 E178Q170-N174 PolarHBondContact NE2-OD1 3.24Å; Q170-N174 VanDerWaalsContact O-CG 3.26Å; Q170-N174 PolarHBondContact O-N 3.21Å; Q170-N174 PolarHBondContact O-ND2 3.35Å; D171-N174 PolarHBondContact O-N 3.28Å; L172-N174 VanDerWaalsContact C-N 3.32Å; L172-N174 PolarHBondContact O-N 3.44Å; N174-F176 PolarHBondContact O-N 3.42Å; N174-K177 WeakPolarHBondContact O-CB 3.13Å; N174-K177 PolarHBondContact O-N 3.47Å; N174-E178 PolarHBondContact O-N 3.08Å
175R97Very high95.7Very high62 Ų6265.7 Ų65.723%0.23434%0.336CS..Hα-helixtrans-66.2-38179.7-65.2-173.6-165.7-162.56.1112.4A162 V163 N165 D171 L172 K177 E178 F179A162-R175 VanDerWaalsContact C-CD 3.5Å; A162-R175 WeakPolarHBondContact O-CD 3.25Å; A162-R175 PolarHBondContact O-NH1 2.83Å; V163-R175 HydrophobicContact CG2-CB 4.13Å; N165-R175 PolarHBondContact O-NH1 2.97Å; N165-R175 VanDerWaalsContact O-NH1 3.09Å; D171-R175 WeakPolarHBondContact O-CG 3.43Å; D171-R175 PolarHBondContact O-N 3.45Å; D171-R175 IonicContact OD1-CZ 2.81Å; D171-R175 IonicContact OD1-NE 3.89Å; D171-R175 PolarHBondContact OD1-NE 3.09Å; D171-R175 IonicContact OD1-NH2 3.01Å; D171-R175 PolarHBondContact OD1-NH2 3.09Å; D171-R175 IonicContact OD2-CZ 2.63Å; D171-R175 IonicContact OD2-NE 3.71Å; D171-R175 PolarHBondContact OD2-NE 2.91Å; D171-R175 IonicContact OD2-NH2 3.95Å; D171-R175 PolarHBondContact OD2-NH2 3.1Å; L172-R175 PolarHBondContact O-N 3.03Å; R175-K177 VanDerWaalsContact C-N 3.32Å; R175-K177 PolarHBondContact O-N 2.98Å; R175-E178 PolarHBondContact O-N 3.46Å; R175-F179 WeakPolarHBondContact O-CB 3.06Å; R175-F179 PolarHBondContact O-N 3.04Å
176F96.3Very high95.8Very high44 Ų4461.6 Ų61.619%0.19331%0.314CS..Hα-helixtrans-68.1-33.9177-166.8-96.3000111.9V163 L172 N174 E178 F179 G180 A217 L220 Y221V163-F176 HydrophobicContact CG1-CD2 4.25Å; V163-F176 HydrophobicContact CG2-CB 4.43Å; V163-F176 HydrophobicContact CG2-CD2 4.32Å; L172-F176 WeakPolarHBondContact O-CB 3.36Å; L172-F176 PolarHBondContact O-N 2.87Å; N174-F176 PolarHBondContact O-N 3.42Å; F176-E178 VanDerWaalsContact C-N 3.33Å; F176-F179 HydrophobicContact CD2-CD1 4.13Å; F176-F179 AromaticContact CE2-CD1 3.95Å; F176-F179 HydrophobicContact CE2-CD1 3.95Å; F176-F179 HydrophobicContact CE2-CE1 4.24Å; F176-F179 HydrophobicContact CZ-CD1 4.49Å; F176-F179 PolarHBondContact O-N 3.45Å; F176-G180 PolarHBondContact O-N 2.92Å; F176-A217 VanDerWaalsContact CZ-O 3.26Å; F176-A217 WeakPolarHBondContact CZ-O 3.5Å; F176-L220 HydrophobicContact CE2-CB 4.44Å; F176-L220 HydrophobicContact CE2-CD2 4.28Å; F176-L220 HydrophobicContact CE2-CG 4.46Å; F176-Y221 HydrophobicContact CB-CD2 3.92Å; F176-Y221 HydrophobicContact CB-CE2 4.25Å; F176-Y221 AromaticContact CD1-CD2 3.65Å; F176-Y221 HydrophobicContact CD1-CD2 3.65Å; F176-Y221 HydrophobicContact CD1-CE2 4.33Å; F176-Y221 HydrophobicContact CD1-CG 4.21Å; F176-Y221 AromaticContact CD2-CD2 3.97Å; F176-Y221 HydrophobicContact CD2-CD2 3.97Å; F176-Y221 HydrophobicContact CE1-CD2 4.15Å; F176-Y221 HydrophobicContact CE1-CG 4.25Å; F176-Y221 HydrophobicContact CE2-CD2 4.43Å; F176-Y221 AromaticContact CG-CD2 3.56Å; F176-Y221 HydrophobicContact CG-CD2 3.56Å; F176-Y221 HydrophobicContact CG-CE2 4.3Å; F176-Y221 HydrophobicContact CG-CG 4.37Å; F176-Y221 HydrophobicContact CZ-CG 4.45Å
177K96.2Very high95.8Very high141 Ų14165 Ų6561%0.61333%0.331SS*.Hα-helixtrans-63.4-38.3171.4-175.8179.4-177176.80112A173 N174 R175 K181A173-K177 WeakPolarHBondContact O-CB 3.42Å; A173-K177 PolarHBondContact O-N 2.84Å; N174-K177 WeakPolarHBondContact O-CB 3.13Å; N174-K177 PolarHBondContact O-N 3.47Å; R175-K177 VanDerWaalsContact C-N 3.32Å; R175-K177 PolarHBondContact O-N 2.98Å; K177-K181 WeakPolarHBondContact O-CG 3.48Å; K177-K181 PolarHBondContact O-N 3.42Å
178E95.8Very high95.9Very high118 Ų11867.8 Ų67.855%0.55133%0.331SS*.Hα-helixtrans-68.3-49174.1-69.4178.6173.300111.6N174 R175 F176 G180 K181 E182N174-E178 PolarHBondContact O-N 3.08Å; R175-E178 PolarHBondContact O-N 3.46Å; F176-E178 VanDerWaalsContact C-N 3.33Å; E178-G180 VanDerWaalsContact C-N 3.27Å; E178-G180 PolarHBondContact O-N 2.96Å; E178-K181 WeakPolarHBondContact O-CB 3.48Å; E178-K181 PolarHBondContact O-N 3.13Å; E178-E182 PolarHBondContact O-N 3.21Å; E178-E182 VanDerWaalsContact O-N 3.14Å
179F96.3Very high95.9Very high2 Ų264.7 Ų64.71%0.00932%0.315CS..Hα-helixtrans-51.7-46.2172.8173.1-104.5000111.8V156 A159 L160 V163 R175 F176 K181 E182 M183 A217 L220 V247V156-F179 HydrophobicContact CG1-CD2 4.35Å; V156-F179 HydrophobicContact CG1-CE2 3.74Å; A159-F179 HydrophobicContact CB-CB 4.25Å; A159-F179 HydrophobicContact CB-CD2 4.16Å; L160-F179 HydrophobicContact CB-CD2 4.19Å; L160-F179 HydrophobicContact CB-CE2 3.91Å; L160-F179 HydrophobicContact CD1-CE2 4.26Å; L160-F179 HydrophobicContact CD1-CZ 4.5Å; V163-F179 HydrophobicContact CG2-CB 3.85Å; V163-F179 HydrophobicContact CG2-CG 4.29Å; R175-F179 WeakPolarHBondContact O-CB 3.06Å; R175-F179 PolarHBondContact O-N 3.04Å; F176-F179 HydrophobicContact CD2-CD1 4.13Å; F176-F179 AromaticContact CE2-CD1 3.95Å; F176-F179 HydrophobicContact CE2-CD1 3.95Å; F176-F179 HydrophobicContact CE2-CE1 4.24Å; F176-F179 HydrophobicContact CZ-CD1 4.49Å; F176-F179 PolarHBondContact O-N 3.45Å; F179-K181 VanDerWaalsContact C-N 3.33Å; F179-K181 PolarHBondContact O-N 3.04Å; F179-E182 PolarHBondContact O-N 3.35Å; F179-M183 HydrophobicContact CD1-CG 4.05Å; F179-M183 HydrophobicContact CD2-CG 4.12Å; F179-M183 HydrophobicContact CE1-CE 4.48Å; F179-M183 HydrophobicContact CE1-CG 3.69Å; F179-M183 HydrophobicContact CE1-SD 4.28Å; F179-M183 HydrophobicContact CE2-CG 3.77Å; F179-M183 HydrophobicContact CE2-SD 4.03Å; F179-M183 HydrophobicContact CG-CG 4.25Å; F179-M183 HydrophobicContact CZ-CE 4.25Å; F179-M183 HydrophobicContact CZ-CG 3.54Å; F179-M183 HydrophobicContact CZ-SD 3.67Å; F179-M183 VanDerWaalsContact O-CB 3.29Å; F179-M183 WeakPolarHBondContact O-CB 3.41Å; F179-M183 WeakPolarHBondContact O-CG 3.46Å; F179-M183 PolarHBondContact O-N 2.98Å; F179-A217 HydrophobicContact CE1-CB 4.39Å; F179-L220 HydrophobicContact CE1-CD2 4.22Å; F179-L220 HydrophobicContact CZ-CD2 4.4Å; F179-V247 HydrophobicContact CZ-CG1 4.25Å
180G95.1Very high96Very high29 Ų2962 Ų6230%0.29930%0.302SS..Hα-helixtrans-59.7-37.6176.900000113.9F176 E178 V184F176-G180 PolarHBondContact O-N 2.92Å; E178-G180 VanDerWaalsContact C-N 3.27Å; E178-G180 PolarHBondContact O-N 2.96Å; G180-V184 WeakPolarHBondContact O-CG2 3.35Å; G180-V184 PolarHBondContact O-N 3.48Å; G180-V184 VanDerWaalsContact O-N 3.17Å
181K96.4Very high96.1Very high119 Ų11957 Ų5752%0.51728%0.283SS..Hα-helixtrans-66.7-44.8176-70.6172.3-176.7177.50111.8K177 E178 F179 M183 V184 K185K177-K181 WeakPolarHBondContact O-CG 3.48Å; K177-K181 PolarHBondContact O-N 3.42Å; E178-K181 WeakPolarHBondContact O-CB 3.48Å; E178-K181 PolarHBondContact O-N 3.13Å; F179-K181 VanDerWaalsContact C-N 3.33Å; F179-K181 PolarHBondContact O-N 3.04Å; K181-M183 VanDerWaalsContact C-N 3.34Å; K181-V184 PolarHBondContact O-N 3.36Å; K181-K185 PolarHBondContact O-N 3Å
182E96.1Very high95.9Very high36 Ų3658.9 Ų58.917%0.16829%0.287CS..Hα-helixtrans-69-36.2179.8-60.6-50129.500111.4I155 V156 E178 F179 V184 K185 L186I155-E182 HydrophobicContact CG2-CB 4.17Å; I155-E182 HydrophobicContact CG2-CG 3.71Å; V156-E182 HydrophobicContact CG2-CB 3.81Å; E178-E182 PolarHBondContact O-N 3.21Å; E178-E182 VanDerWaalsContact O-N 3.14Å; F179-E182 PolarHBondContact O-N 3.35Å; E182-V184 VanDerWaalsContact C-N 3.35Å; E182-V184 PolarHBondContact O-N 2.9Å; E182-K185 VanDerWaalsContact CD-NZ 3.31Å; E182-K185 PolarHBondContact O-N 3.29Å; E182-K185 IonicContact OE1-NZ 2.77Å; E182-K185 PolarHBondContact OE1-NZ 3.28Å; E182-K185 WeakPolarHBondContact OE2-CD 3.5Å; E182-K185 IonicContact OE2-NZ 3.78Å; E182-K185 PolarHBondContact OE2-NZ 3.08Å; E182-K185 VanDerWaalsContact OE2-NZ 3.1Å; E182-L186 WeakPolarHBondContact O-CB 3.45Å; E182-L186 PolarHBondContact O-N 2.93Å
183M94.9Very high95.8Very high26 Ų2659.2 Ų59.213%0.12829%0.289CS..Hα-helixtrans-58-41.7172.1-80.5-75-69.600113.4V156 F179 K181 L186 N187 L213 A217V156-M183 HydrophobicContact CG1-CG 4.29Å; V156-M183 HydrophobicContact CG1-SD 3.79Å; F179-M183 HydrophobicContact CD1-CG 4.05Å; F179-M183 HydrophobicContact CD2-CG 4.12Å; F179-M183 HydrophobicContact CE1-CE 4.48Å; F179-M183 HydrophobicContact CE1-CG 3.69Å; F179-M183 HydrophobicContact CE1-SD 4.28Å; F179-M183 HydrophobicContact CE2-CG 3.77Å; F179-M183 HydrophobicContact CE2-SD 4.03Å; F179-M183 HydrophobicContact CG-CG 4.25Å; F179-M183 HydrophobicContact CZ-CE 4.25Å; F179-M183 HydrophobicContact CZ-CG 3.54Å; F179-M183 HydrophobicContact CZ-SD 3.67Å; F179-M183 VanDerWaalsContact O-CB 3.29Å; F179-M183 WeakPolarHBondContact O-CB 3.41Å; F179-M183 WeakPolarHBondContact O-CG 3.46Å; F179-M183 PolarHBondContact O-N 2.98Å; K181-M183 VanDerWaalsContact C-N 3.34Å; M183-L186 PolarHBondContact O-N 3.06Å; M183-N187 VanDerWaalsContact O-CB 3.25Å; M183-N187 WeakPolarHBondContact O-CB 3.37Å; M183-N187 PolarHBondContact O-N 3.37Å; M183-L213 HydrophobicContact CE-CD1 3.97Å; M183-L213 HydrophobicContact CE-CD2 3.72Å; M183-L213 HydrophobicContact CE-CG 3.4Å; M183-L213 HydrophobicContact SD-CD1 4.01Å; M183-L213 HydrophobicContact SD-CD2 3.65Å; M183-L213 HydrophobicContact SD-CG 3.83Å; M183-A217 HydrophobicContact CE-CB 4.31Å
184V95.2Very high95.8Very high105 Ų10559.7 Ų59.764%0.63629%0.285SS*.Hα-helixtrans-62.8-42.9176.2170.20000111.1G180 K181 E182 N187 Y188G180-V184 WeakPolarHBondContact O-CG2 3.35Å; G180-V184 PolarHBondContact O-N 3.48Å; G180-V184 VanDerWaalsContact O-N 3.17Å; K181-V184 PolarHBondContact O-N 3.36Å; E182-V184 VanDerWaalsContact C-N 3.35Å; E182-V184 PolarHBondContact O-N 2.9Å; V184-N187 PolarHBondContact O-N 3.35Å; V184-Y188 PolarHBondContact O-N 2.98Å; V184-Y188 VanDerWaalsContact O-N 3.12Å
185K95.5Very high95.6Very high98 Ų9862.7 Ų62.743%0.42630%0.297SS..Hα-helixtrans-64.6-47.9177.1-62.6175.3-168.6162.60111.5K181 E182 N187 Y188 V189K181-K185 PolarHBondContact O-N 3Å; E182-K185 VanDerWaalsContact CD-NZ 3.31Å; E182-K185 PolarHBondContact O-N 3.29Å; E182-K185 IonicContact OE1-NZ 2.77Å; E182-K185 PolarHBondContact OE1-NZ 3.28Å; E182-K185 WeakPolarHBondContact OE2-CD 3.5Å; E182-K185 IonicContact OE2-NZ 3.78Å; E182-K185 PolarHBondContact OE2-NZ 3.08Å; E182-K185 VanDerWaalsContact OE2-NZ 3.1Å; K185-N187 VanDerWaalsContact C-N 3.32Å; K185-N187 PolarHBondContact O-N 3.13Å; K185-Y188 WeakPolarHBondContact O-CB 3.49Å; K185-Y188 PolarHBondContact O-N 3.37Å; K185-V189 PolarHBondContact O-N 3.4Å; K185-V189 VanDerWaalsContact O-N 3.16Å
186L96.6Very high95.4Very high0 Ų061.6 Ų61.60%029%0.294CS..Hα-helixtrans-57.1-47.4176.617261.5000110.7L149 H152 L153 V156 E182 M183 Y188 V189 A190 L213L149-L186 HydrophobicContact CD1-CD1 3.66Å; H152-L186 HydrophobicContact CB-CD1 4.14Å; L153-L186 HydrophobicContact CD2-CD1 3.63Å; L153-L186 HydrophobicContact CD2-CD2 3.72Å; L153-L186 HydrophobicContact CD2-CG 4.3Å; L153-L186 HydrophobicContact CG-CD1 3.68Å; V156-L186 HydrophobicContact CB-CD2 4.07Å; V156-L186 HydrophobicContact CG1-CD2 4.09Å; V156-L186 HydrophobicContact CG2-CB 3.88Å; V156-L186 HydrophobicContact CG2-CD2 3.79Å; V156-L186 HydrophobicContact CG2-CG 4.44Å; E182-L186 WeakPolarHBondContact O-CB 3.45Å; E182-L186 PolarHBondContact O-N 2.93Å; M183-L186 PolarHBondContact O-N 3.06Å; L186-Y188 VanDerWaalsContact C-N 3.28Å; L186-Y188 PolarHBondContact O-N 3.43Å; L186-V189 PolarHBondContact O-N 3.13Å; L186-A190 VanDerWaalsContact O-CB 3.24Å; L186-A190 WeakPolarHBondContact O-CB 3.35Å; L186-A190 PolarHBondContact O-N 3.25Å; L186-L213 HydrophobicContact CD2-CD2 3.97Å
187N94.8Very high95.1Very high79 Ų7959.6 Ų59.642%0.42229%0.286SS..Hα-helixtrans-60.1-37.7-179.8-178.254.5000112.3M183 V184 K185 A191 R210M183-N187 VanDerWaalsContact O-CB 3.25Å; M183-N187 WeakPolarHBondContact O-CB 3.37Å; M183-N187 PolarHBondContact O-N 3.37Å; V184-N187 PolarHBondContact O-N 3.35Å; K185-N187 VanDerWaalsContact C-N 3.32Å; K185-N187 PolarHBondContact O-N 3.13Å; N187-A191 WeakPolarHBondContact O-CB 3.31Å; N187-A191 PolarHBondContact O-N 3.3Å; N187-R210 PolarHBondContact OD1-NE 3.17Å; N187-R210 VanDerWaalsContact OD1-NE 3.16Å; N187-R210 PolarHBondContact OD1-NH2 2.86Å
188Y95.6Very high94.7Very high160 Ų16056.4 Ų56.463%0.62727%0.272SS*.Hα-helixtrans-63.7-49.6175.7177.4-99000112.1V184 K185 L186 A191 R192V184-Y188 PolarHBondContact O-N 2.98Å; V184-Y188 VanDerWaalsContact O-N 3.12Å; K185-Y188 WeakPolarHBondContact O-CB 3.49Å; K185-Y188 PolarHBondContact O-N 3.37Å; L186-Y188 VanDerWaalsContact C-N 3.28Å; L186-Y188 PolarHBondContact O-N 3.43Å; Y188-A191 PolarHBondContact O-N 3.42Å; Y188-R192 PolarHBondContact O-N 2.88Å; Y188-R192 VanDerWaalsContact O-N 3.13Å
189V95.3Very high94.2Very high12 Ų1254 Ų547%0.07326%0.262CS..Hα-helixtrans-68.6-40.6-178.6-175.90000111.3L149 K185 L186 R192 R193L149-V189 HydrophobicContact CB-CG1 3.93Å; L149-V189 HydrophobicContact CD1-CB 4.18Å; L149-V189 HydrophobicContact CD1-CG1 3.93Å; L149-V189 HydrophobicContact CG-CG1 4.45Å; K185-V189 PolarHBondContact O-N 3.4Å; K185-V189 VanDerWaalsContact O-N 3.16Å; L186-V189 PolarHBondContact O-N 3.13Å; V189-R192 PolarHBondContact O-N 3.32Å; V189-R193 PolarHBondContact O-N 3.44Å
190A96.6Very high93.7Very high0 Ų057.1 Ų57.10%028%0.283CS..Hα-helixtrans-65.5-40.117600000111.9L149 L186 R192 R193 Q194 M206 R210 I254L149-A190 HydrophobicContact CD1-CB 4.08Å; L186-A190 VanDerWaalsContact O-CB 3.24Å; L186-A190 WeakPolarHBondContact O-CB 3.35Å; L186-A190 PolarHBondContact O-N 3.25Å; A190-R192 VanDerWaalsContact C-N 3.35Å; A190-R192 PolarHBondContact O-N 3Å; A190-R193 PolarHBondContact O-N 3.48Å; A190-Q194 WeakPolarHBondContact O-CB 3.35Å; A190-Q194 PolarHBondContact O-N 3.27Å; A190-M206 HydrophobicContact CB-CE 4.49Å; A190-M206 VanDerWaalsContact O-SD 3.35Å; A190-R210 HydrophobicContact CB-CG 4.21Å; A190-I254 HydrophobicContact CB-CG2 4.09Å
191A96.2Very high93.3Very high19 Ų1958 Ų5816%0.15728%0.28CS..Hα-helixtrans-60.8-44.2175.600000112N187 Y188 Q194 Q195N187-A191 WeakPolarHBondContact O-CB 3.31Å; N187-A191 PolarHBondContact O-N 3.3Å; Y188-A191 PolarHBondContact O-N 3.42Å; A191-Q194 WeakPolarHBondContact O-CB 3.3Å; A191-Q194 PolarHBondContact O-N 2.96Å; A191-Q195 WeakPolarHBondContact O-CG 3.42Å; A191-Q195 PolarHBondContact O-N 3.23Å; A191-Q195 VanDerWaalsContact O-N 3.13Å
192R94.8Very high92.9Very high70 Ų7052.6 Ų52.626%0.26426%0.257SS..Hα-helixtrans-64-44.5177.3-167-177.166.5-165-4.2110.9D145 Y188 V189 A190 Q194 Q195 E196D145-R192 IonicContact OD1-NH2 2.94Å; Y188-R192 PolarHBondContact O-N 2.88Å; Y188-R192 VanDerWaalsContact O-N 3.13Å; V189-R192 PolarHBondContact O-N 3.32Å; A190-R192 VanDerWaalsContact C-N 3.35Å; A190-R192 PolarHBondContact O-N 3Å; R192-Q194 VanDerWaalsContact C-N 3.34Å; R192-Q194 PolarHBondContact O-N 3.23Å; R192-Q195 PolarHBondContact O-N 2.87Å; R192-E196 WeakPolarHBondContact O-CG 3.48Å; R192-E196 PolarHBondContact O-N 3.19Å
193R94.7Very high92.7Very high7 Ų754.9 Ų54.93%0.02626%0.264CS..Hα-helixtrans-58.9-45.4175.5-176.357.6173.6-173.43.7111.6D142 V146 L149 V189 A190 Q195 E196 L197 M206D142-R193 IonicContact OD1-CZ 3.13Å; D142-R193 IonicContact OD1-NH1 3.84Å; D142-R193 PolarHBondContact OD1-NH1 3.23Å; D142-R193 IonicContact OD1-NH2 3.16Å; D142-R193 IonicContact OD2-CZ 3.28Å; D142-R193 IonicContact OD2-NH1 2.61Å; D142-R193 PolarHBondContact OD2-NH1 2.98Å; D142-R193 IonicContact OD2-NH2 3.53Å; D142-R193 PolarHBondContact OD2-NH2 3.13Å; V146-R193 VanDerWaalsContact CG2-CZ 3.42Å; V146-R193 VanDerWaalsContact CG2-NH2 3.27Å; L149-R193 HydrophobicContact CD2-CB 3.97Å; L149-R193 HydrophobicContact CD2-CG 3.96Å; V189-R193 PolarHBondContact O-N 3.44Å; A190-R193 PolarHBondContact O-N 3.48Å; R193-Q195 VanDerWaalsContact C-N 3.27Å; R193-Q195 PolarHBondContact O-N 3.46Å; R193-E196 PolarHBondContact O-N 3.1Å; R193-L197 HydrophobicContact CG-CD1 4.46Å; R193-L197 HydrophobicContact CG-CG 4.31Å; R193-L197 WeakPolarHBondContact O-CG 3.32Å; R193-L197 PolarHBondContact O-N 2.94Å; R193-M206 HydrophobicContact CB-CE 4.09Å; R193-M206 HydrophobicContact CB-SD 4.01Å; R193-M206 HydrophobicContact CG-CE 3.86Å; R193-M206 HydrophobicContact CG-SD 4.01Å
194Q95.1Very high92.3Very high42 Ų4258.8 Ų58.820%0.19629%0.285CS..Hα-helixtrans-56.2-40.5176.7-174.4-170.6-29.300112.1A190 A191 R192 E196 R203 M206 A207A190-Q194 WeakPolarHBondContact O-CB 3.35Å; A190-Q194 PolarHBondContact O-N 3.27Å; A191-Q194 WeakPolarHBondContact O-CB 3.3Å; A191-Q194 PolarHBondContact O-N 2.96Å; R192-Q194 VanDerWaalsContact C-N 3.34Å; R192-Q194 PolarHBondContact O-N 3.23Å; Q194-E196 VanDerWaalsContact C-N 3.29Å; Q194-E196 PolarHBondContact O-N 3.47Å; Q194-R203 HydrophobicContact CG-CB 4.45Å; Q194-R203 VanDerWaalsContact O-CD 3.26Å; Q194-R203 WeakPolarHBondContact O-CD 3.36Å; Q194-R203 WeakPolarHBondContact O-CG 3.31Å; Q194-M206 HydrophobicContact CB-CB 4.47Å; Q194-M206 HydrophobicContact CB-CG 4.03Å; Q194-M206 HydrophobicContact CB-SD 3.72Å; Q194-M206 HydrophobicContact CG-CB 4.38Å; Q194-M206 HydrophobicContact CG-CG 4.4Å; Q194-M206 PolarHBondContact N-SD 3.06Å; Q194-M206 VanDerWaalsContact N-SD 3.42Å; Q194-A207 VanDerWaalsContact NE2-CB 3.35Å
195Q93.5Very high92.1Very high147 Ų14756.5 Ų56.569%0.68727%0.268SS*.Hα-helixtrans-70.9-26.6179-69.5173.6-0.200113.1A191 R192 R193A191-Q195 WeakPolarHBondContact O-CG 3.42Å; A191-Q195 PolarHBondContact O-N 3.23Å; A191-Q195 VanDerWaalsContact O-N 3.13Å; R192-Q195 PolarHBondContact O-N 2.87Å; R193-Q195 VanDerWaalsContact C-N 3.27Å; R193-Q195 PolarHBondContact O-N 3.46Å
196E91.6Very high92.1Very high39 Ų3951.9 Ų51.918%0.18225%0.247CC..Hα-helixtrans-91.2-23.7-175.8-69.6175.4165.600113.5T21 L22 R192 R193 Q194T21-E196 CarbonylContact C-O 3.47Å; T21-E196 WeakPolarHBondContact CA-O 3.37Å; T21-E196 WeakPolarHBondContact CB-O 3.37Å; T21-E196 HydrophobicContact CG2-CB 4.05Å; L22-E196 PolarHBondContact N-O 3.39Å; R192-E196 WeakPolarHBondContact O-CG 3.48Å; R192-E196 PolarHBondContact O-N 3.19Å; R193-E196 PolarHBondContact O-N 3.1Å; Q194-E196 VanDerWaalsContact C-N 3.29Å; Q194-E196 PolarHBondContact O-N 3.47Å
197L91.8Very high91.9Very high3 Ų353.5 Ų53.52%0.01626%0.261CS..BIsolated β-bridgetrans-58.4134.7179.5-79.1170.8000111.6R193 C202 R203 M206R193-L197 HydrophobicContact CG-CD1 4.46Å; R193-L197 HydrophobicContact CG-CG 4.31Å; R193-L197 WeakPolarHBondContact O-CG 3.32Å; R193-L197 PolarHBondContact O-N 2.94Å; L197-C202 HydrophobicContact CD1-CB 4.08Å; L197-R203 HydrophobicContact CB-CG 3.48Å; L197-R203 VanDerWaalsContact CB-CG 3.48Å; L197-R203 HydrophobicContact CD1-CG 4.35Å; L197-R203 WeakPolarHBondContact O-CD 3.43Å; L197-R203 PolarHBondContact O-NE 2.87Å; L197-M206 HydrophobicContact CD1-SD 4.03Å
198K87.8Confident91.8Very high74 Ų7452.6 Ų52.632%0.32226%0.264SS..SBendtrans-81.1-40.8-179.7-178.9171.1178.7151.80112.6R20 L22 E25 P200R20-K198 WeakPolarHBondContact O-CB 3.34Å; R20-K198 PolarHBondContact O-N 2.84Å; L22-K198 HydrophobicContact CD2-CG 4.46Å; E25-K198 VanDerWaalsContact CD-NZ 3.34Å; E25-K198 IonicContact OE1-NZ 2.96Å; E25-K198 PolarHBondContact OE1-NZ 3.3Å; E25-K198 IonicContact OE2-NZ 3.05Å; E25-K198 PolarHBondContact OE2-NZ 2.84Å; K198-P200 WeakPolarHBondContact O-CD 3.39Å
199D85.5Confident91.7Very high66 Ų6645.4 Ų45.435%0.35324%0.238SC..  trans-70.9119.1179.8176.917.4000110.5H201 C202 R203D199-H201 VanDerWaalsContact C-N 3.26Å; D199-H201 PolarHBondContact O-N 3.3Å; D199-H201 PolarHBondContact OD1-N 2.8Å; D199-C202 HydrophobicContact CB-CB 4.11Å; D199-C202 PolarHBondContact OD2-N 3.05Å; D199-C202 PolarHBondContact OD2-SG 3.49Å; D199-R203 WeakPolarHBondContact O-CG 3.39Å; D199-R203 PolarHBondContact O-N 3.23Å
200P84.7Confident91.8Very high69 Ų6947.5 Ų47.545%0.44825%0.245SC..Hα-helixtrans-53.8-40.9171.9-2131.4000113.3K198 R203 D204K198-P200 WeakPolarHBondContact O-CD 3.39Å; P200-R203 WeakPolarHBondContact O-CB 3.39Å; P200-R203 PolarHBondContact O-N 2.83Å; P200-R203 VanDerWaalsContact O-N 3.13Å; P200-D204 VanDerWaalsContact O-CG 3.28Å; P200-D204 PolarHBondContact O-N 3.29Å
201H86Confident91.6Very high48 Ų4849.4 Ų49.422%0.22227%0.265CS..Hα-helixtrans-64.2-51.2-176.9177.773.8000111.7D199 R203 D204 E205 D265D199-H201 VanDerWaalsContact C-N 3.26Å; D199-H201 PolarHBondContact O-N 3.3Å; D199-H201 PolarHBondContact OD1-N 2.8Å; H201-R203 PolarHBondContact O-N 3.02Å; H201-D204 PolarHBondContact O-N 3.36Å; H201-D204 VanDerWaalsContact O-N 3.12Å; H201-E205 IonicContact CD2-OE2 2.99Å; H201-E205 IonicContact CE1-OE1 2.7Å; H201-E205 IonicContact NE2-OE1 3.09Å; H201-E205 PolarHBondContact NE2-OE1 3.41Å; H201-E205 IonicContact NE2-OE2 2.88Å; H201-E205 WeakPolarHBondContact O-CG 3.34Å; H201-E205 PolarHBondContact O-N 3.08Å; H201-D265 IonicContact CE1-OD2 2.71Å
202C89.4Confident91.5Very high5 Ų550.2 Ų50.23%0.03427%0.271CS..Hα-helixtrans-58.1-32.6174-68.70000112.9L197 D199 M206L197-C202 HydrophobicContact CD1-CB 4.08Å; D199-C202 HydrophobicContact CB-CB 4.11Å; D199-C202 PolarHBondContact OD2-N 3.05Å; D199-C202 PolarHBondContact OD2-SG 3.49Å; C202-M206 VanDerWaalsContact O-CB 3.31Å; C202-M206 WeakPolarHBondContact O-CB 3.35Å; C202-M206 PolarHBondContact O-N 3.5Å
203R90.7Very high91.4Very high83 Ų8347.3 Ų47.331%0.31326%0.261SS..Hα-helixtrans-66.5-44.7175.7-75.9-172.8-74.5166.46.6112.1Q194 L197 D199 P200 H201 M206 A207Q194-R203 HydrophobicContact CG-CB 4.45Å; Q194-R203 VanDerWaalsContact O-CD 3.26Å; Q194-R203 WeakPolarHBondContact O-CD 3.36Å; Q194-R203 WeakPolarHBondContact O-CG 3.31Å; L197-R203 HydrophobicContact CB-CG 3.48Å; L197-R203 VanDerWaalsContact CB-CG 3.48Å; L197-R203 HydrophobicContact CD1-CG 4.35Å; L197-R203 WeakPolarHBondContact O-CD 3.43Å; L197-R203 PolarHBondContact O-NE 2.87Å; D199-R203 WeakPolarHBondContact O-CG 3.39Å; D199-R203 PolarHBondContact O-N 3.23Å; P200-R203 WeakPolarHBondContact O-CB 3.39Å; P200-R203 PolarHBondContact O-N 2.83Å; P200-R203 VanDerWaalsContact O-N 3.13Å; H201-R203 PolarHBondContact O-N 3.02Å; R203-M206 PolarHBondContact O-N 2.93Å; R203-A207 WeakPolarHBondContact O-CB 3.43Å; R203-A207 PolarHBondContact O-N 3.47Å
204D88.1Confident91.2Very high109 Ų10955 Ų5558%0.58330%0.295SS*.Hα-helixtrans-70.7-40.4-178.6-63.6-22.1000110.9P200 H201 M206 A207 A208P200-D204 VanDerWaalsContact O-CG 3.28Å; P200-D204 PolarHBondContact O-N 3.29Å; H201-D204 PolarHBondContact O-N 3.36Å; H201-D204 VanDerWaalsContact O-N 3.12Å; D204-M206 PolarHBondContact O-N 2.98Å; D204-A207 WeakPolarHBondContact O-CB 3.27Å; D204-A207 PolarHBondContact O-N 3.4Å; D204-A208 WeakPolarHBondContact O-CB 3.42Å; D204-A208 PolarHBondContact O-N 3.29Å
205E90.3Very high91Very high57 Ų5755.8 Ų55.827%0.26630%0.297SS..Hα-helixtrans-59-45.5171.8-72.9-169.7134.700111.9H201 A207 A208 A209 A257 S262H201-E205 IonicContact CD2-OE2 2.99Å; H201-E205 IonicContact CE1-OE1 2.7Å; H201-E205 IonicContact NE2-OE1 3.09Å; H201-E205 PolarHBondContact NE2-OE1 3.41Å; H201-E205 IonicContact NE2-OE2 2.88Å; H201-E205 WeakPolarHBondContact O-CG 3.34Å; H201-E205 PolarHBondContact O-N 3.08Å; E205-A207 VanDerWaalsContact C-N 3.32Å; E205-A207 PolarHBondContact O-N 3.17Å; E205-A208 PolarHBondContact O-N 3.25Å; E205-A209 VanDerWaalsContact O-CB 3.28Å; E205-A209 WeakPolarHBondContact O-CB 3.44Å; E205-A209 PolarHBondContact O-N 3.41Å; E205-A257 HydrophobicContact CB-CB 4.02Å; E205-S262 WeakPolarHBondContact OE1-CB 3.48Å; E205-S262 PolarHBondContact OE1-OG 3.43Å; E205-S262 WeakPolarHBondContact OE2-CB 3.17Å; E205-S262 PolarHBondContact OE2-OG 2.96Å
206M94.3Very high91Very high0 Ų049 Ų490%027%0.266CS..Hα-helixtrans-64.5-38.7176.4-174.7167.6-108.700111.4L149 A190 R193 Q194 L197 C202 R203 D204 R210 I254 A257 A258L149-M206 HydrophobicContact CD2-CE 3.72Å; A190-M206 HydrophobicContact CB-CE 4.49Å; A190-M206 VanDerWaalsContact O-SD 3.35Å; R193-M206 HydrophobicContact CB-CE 4.09Å; R193-M206 HydrophobicContact CB-SD 4.01Å; R193-M206 HydrophobicContact CG-CE 3.86Å; R193-M206 HydrophobicContact CG-SD 4.01Å; Q194-M206 HydrophobicContact CB-CB 4.47Å; Q194-M206 HydrophobicContact CB-CG 4.03Å; Q194-M206 HydrophobicContact CB-SD 3.72Å; Q194-M206 HydrophobicContact CG-CB 4.38Å; Q194-M206 HydrophobicContact CG-CG 4.4Å; Q194-M206 PolarHBondContact N-SD 3.06Å; Q194-M206 VanDerWaalsContact N-SD 3.42Å; L197-M206 HydrophobicContact CD1-SD 4.03Å; C202-M206 VanDerWaalsContact O-CB 3.31Å; C202-M206 WeakPolarHBondContact O-CB 3.35Å; C202-M206 PolarHBondContact O-N 3.5Å; R203-M206 PolarHBondContact O-N 2.93Å; D204-M206 PolarHBondContact O-N 2.98Å; M206-R210 WeakPolarHBondContact O-CB 3.34Å; M206-R210 WeakPolarHBondContact O-CG 3.46Å; M206-R210 PolarHBondContact O-N 3.13Å; M206-I254 HydrophobicContact CE-CG2 3.74Å; M206-A257 HydrophobicContact CB-CB 3.85Å; M206-A258 HydrophobicContact CE-CB 3.7Å
207A94.1Very high90.9Very high35 Ų3547.8 Ų47.829%0.28926%0.263SS..Hα-helixtrans-62.5-48.6175.600000111.6Q194 R203 D204 E205 R210 G211Q194-A207 VanDerWaalsContact NE2-CB 3.35Å; R203-A207 WeakPolarHBondContact O-CB 3.43Å; R203-A207 PolarHBondContact O-N 3.47Å; D204-A207 WeakPolarHBondContact O-CB 3.27Å; D204-A207 PolarHBondContact O-N 3.4Å; E205-A207 VanDerWaalsContact C-N 3.32Å; E205-A207 PolarHBondContact O-N 3.17Å; A207-R210 PolarHBondContact O-N 2.89Å; A207-G211 PolarHBondContact O-N 2.88Å
208A91.4Very high90.6Very high59 Ų5951.8 Ų51.849%0.48829%0.287SS..Hα-helixtrans-61.9-46.117900000111.4D204 E205 R210 G211 A212D204-A208 WeakPolarHBondContact O-CB 3.42Å; D204-A208 PolarHBondContact O-N 3.29Å; E205-A208 PolarHBondContact O-N 3.25Å; A208-R210 PolarHBondContact O-N 3.03Å; A208-G211 PolarHBondContact O-N 2.89Å; A208-A212 WeakPolarHBondContact O-CB 3.46Å; A208-A212 PolarHBondContact O-N 3.2Å
209A95Very high91Very high10 Ų1048.4 Ų48.48%0.08327%0.273CS..Hα-helixtrans-63.3-41.417800000112E205 A212 L213 I254E205-A209 VanDerWaalsContact O-CB 3.28Å; E205-A209 WeakPolarHBondContact O-CB 3.44Å; E205-A209 PolarHBondContact O-N 3.41Å; A209-A212 PolarHBondContact O-N 3.46Å; A209-L213 VanDerWaalsContact O-CB 3.27Å; A209-L213 WeakPolarHBondContact O-CB 3.3Å; A209-L213 PolarHBondContact O-N 3.46Å; A209-I254 HydrophobicContact CB-CG1 3.68Å
210R95.7Very high91.5Very high55 Ų5545.3 Ų45.321%0.20826%0.256CS..Hα-helixtrans-62.6-41.4172.8-73.7174.565.9-137.9-8.5112.3N187 A190 M206 A207 A208 L213 K214 I254N187-R210 PolarHBondContact OD1-NE 3.17Å; N187-R210 VanDerWaalsContact OD1-NE 3.16Å; N187-R210 PolarHBondContact OD1-NH2 2.86Å; A190-R210 HydrophobicContact CB-CG 4.21Å; M206-R210 WeakPolarHBondContact O-CB 3.34Å; M206-R210 WeakPolarHBondContact O-CG 3.46Å; M206-R210 PolarHBondContact O-N 3.13Å; A207-R210 PolarHBondContact O-N 2.89Å; A208-R210 PolarHBondContact O-N 3.03Å; R210-L213 PolarHBondContact O-N 2.97Å; R210-K214 PolarHBondContact O-N 2.91Å; R210-K214 VanDerWaalsContact O-N 3.1Å; R210-I254 HydrophobicContact CG-CD1 3.95Å; R210-I254 HydrophobicContact CG-CG1 4.26Å
211G93.1Very high92.1Very high41 Ų4145.2 Ų45.242%0.42325%0.247SC..Hα-helixtrans-62.2-49.517600000112.2A207 A208 L213 K214 K215A207-G211 PolarHBondContact O-N 2.88Å; A208-G211 PolarHBondContact O-N 2.89Å; G211-L213 VanDerWaalsContact C-N 3.31Å; G211-L213 PolarHBondContact O-N 2.9Å; G211-K214 PolarHBondContact O-N 3.41Å; G211-K215 WeakPolarHBondContact O-CB 3.41Å; G211-K215 PolarHBondContact O-N 2.74Å
212A93.2Very high92.6Very high36 Ų3643.6 Ų43.630%0.29824%0.241SC..Hα-helixtrans-58.1-44.1175.600000111.5A208 A209 K214 K215 N216 A250A208-A212 WeakPolarHBondContact O-CB 3.46Å; A208-A212 PolarHBondContact O-N 3.2Å; A209-A212 PolarHBondContact O-N 3.46Å; A212-K214 PolarHBondContact O-N 2.66Å; A212-K215 PolarHBondContact O-N 2.94Å; A212-N216 WeakPolarHBondContact O-CB 3.49Å; A212-N216 PolarHBondContact O-N 2.96Å; A212-N216 PolarHBondContact O-ND2 3.44Å; A212-A250 HydrophobicContact CB-CB 4.12Å
213L94.1Very high92.9Very high9 Ų943.3 Ų43.35%0.04724%0.239CC..Hα-helixtrans-59.8-44.3178.7-17262.3000112.1M183 L186 A209 R210 G211 A217 V247 A250 I251 I254M183-L213 HydrophobicContact CE-CD1 3.97Å; M183-L213 HydrophobicContact CE-CD2 3.72Å; M183-L213 HydrophobicContact CE-CG 3.4Å; M183-L213 HydrophobicContact SD-CD1 4.01Å; M183-L213 HydrophobicContact SD-CD2 3.65Å; M183-L213 HydrophobicContact SD-CG 3.83Å; L186-L213 HydrophobicContact CD2-CD2 3.97Å; A209-L213 VanDerWaalsContact O-CB 3.27Å; A209-L213 WeakPolarHBondContact O-CB 3.3Å; A209-L213 PolarHBondContact O-N 3.46Å; R210-L213 PolarHBondContact O-N 2.97Å; G211-L213 VanDerWaalsContact C-N 3.31Å; G211-L213 PolarHBondContact O-N 2.9Å; L213-A217 WeakPolarHBondContact O-CB 3.39Å; L213-A217 PolarHBondContact O-N 3.2Å; L213-A217 VanDerWaalsContact O-N 3.13Å; L213-V247 HydrophobicContact CD1-CG1 3.67Å; L213-A250 HydrophobicContact CB-CB 3.88Å; L213-A250 HydrophobicContact CD1-CB 4.14Å; L213-I251 HydrophobicContact CD1-CG1 4.05Å; L213-I254 HydrophobicContact CD2-CD1 3.81Å
214K90.7Very high93.3Very high168 Ų16839.4 Ų39.473%0.7322%0.224SC*.Hα-helixtrans-64.2-45176.1-176.1-178.3178-174.10112.1R210 G211 A212R210-K214 PolarHBondContact O-N 2.91Å; R210-K214 VanDerWaalsContact O-N 3.1Å; G211-K214 PolarHBondContact O-N 3.41Å; A212-K214 PolarHBondContact O-N 2.66Å
215K89.5Confident93.7Very high58 Ų5835.6 Ų35.625%0.25220%0.203SC..Hα-helixtrans-59.4-50.6178.2160.4172.5153.91720111.5G211 A212 A217 Q488G211-K215 WeakPolarHBondContact O-CB 3.41Å; G211-K215 PolarHBondContact O-N 2.74Å; A212-K215 PolarHBondContact O-N 2.94Å; K215-A217 VanDerWaalsContact C-N 3.32Å; K215-A217 PolarHBondContact O-N 3.47Å; K215-Q488 VanDerWaalsContact CD-CD 3.48Å
216N93.8Very high94Very high4 Ų432.9 Ų32.92%0.02119%0.19CC..Hα-helixtrans-73.3-23.6-175.2-62.2-34.3000112.9A212 T218 M219 L220 V243 Q246 V247A212-N216 WeakPolarHBondContact O-CB 3.49Å; A212-N216 PolarHBondContact O-N 2.96Å; A212-N216 PolarHBondContact O-ND2 3.44Å; N216-T218 PolarHBondContact O-N 2.97Å; N216-M219 PolarHBondContact O-N 3.03Å; N216-L220 WeakPolarHBondContact O-CB 3.44Å; N216-L220 PolarHBondContact O-N 3.35Å; N216-V243 HydrophobicContact CB-CG1 4.25Å; N216-V243 VanDerWaalsContact O-CG1 3.29Å; N216-V243 WeakPolarHBondContact O-CG1 3.33Å; N216-Q246 HydrophobicContact CB-CB 4.47Å; N216-Q246 VanDerWaalsContact ND2-CB 3.31Å; N216-Q246 WeakPolarHBondContact ND2-CB 3.44Å; N216-V247 HydrophobicContact CB-CG2 3.6Å
217A89.6Confident94.2Very high15 Ų1534.1 Ų34.112%0.12420%0.196CC..Hα-helixtrans-60-41.7178.300000112.8F176 F179 M183 L213 K215 L220F176-A217 VanDerWaalsContact CZ-O 3.26Å; F176-A217 WeakPolarHBondContact CZ-O 3.5Å; F179-A217 HydrophobicContact CE1-CB 4.39Å; M183-A217 HydrophobicContact CE-CB 4.31Å; L213-A217 WeakPolarHBondContact O-CB 3.39Å; L213-A217 PolarHBondContact O-N 3.2Å; L213-A217 VanDerWaalsContact O-N 3.13Å; K215-A217 VanDerWaalsContact C-N 3.32Å; K215-A217 PolarHBondContact O-N 3.47Å; A217-L220 WeakPolarHBondContact O-CB 3.44Å; A217-L220 PolarHBondContact O-N 3.22Å
218T86.3Confident94.3Very high86 Ų8634.2 Ų34.253%0.52819%0.191SC..Hα-helixtrans-66.6-45177.7-53.20000111.4N216 L220 Y221 V484N216-T218 PolarHBondContact O-N 2.97Å; T218-L220 PolarHBondContact O-N 3.47Å; T218-Y221 PolarHBondContact O-N 2.84Å; T218-V484 HydrophobicContact CG2-CG1 4.45Å; T218-V484 HydrophobicContact CG2-CG2 4.34Å
219M95.7Very high94.6Very high3 Ų338.1 Ų38.12%0.01519%0.193CC..Hα-helixtrans-61.9-32.7177.1-57.9174.370.600112N216 Y221 T222 A223 V243 L458 V484 F485 Q488N216-M219 PolarHBondContact O-N 3.03Å; M219-Y221 VanDerWaalsContact C-N 3.32Å; M219-Y221 PolarHBondContact O-N 3.32Å; M219-T222 PolarHBondContact O-OG1 2.89Å; M219-A223 WeakPolarHBondContact O-CB 3.5Å; M219-A223 PolarHBondContact O-N 2.92Å; M219-V243 HydrophobicContact CB-CG1 3.84Å; M219-V243 HydrophobicContact CB-CG2 3.8Å; M219-V243 HydrophobicContact CE-CG2 4.12Å; M219-L458 HydrophobicContact CE-CD1 4.22Å; M219-V484 HydrophobicContact CB-CG1 4.2Å; M219-V484 HydrophobicContact CG-CG1 3.58Å; M219-F485 HydrophobicContact CE-CD1 3.43Å; M219-F485 VanDerWaalsContact CE-CD1 3.43Å; M219-F485 HydrophobicContact CE-CE1 3.05Å; M219-F485 HydrophobicContact CE-CE2 4.42Å; M219-F485 HydrophobicContact CE-CG 4.26Å; M219-F485 HydrophobicContact CE-CZ 3.63Å; M219-Q488 HydrophobicContact CE-CB 4.5Å; M219-Q488 HydrophobicContact CE-CG 4.23Å; M219-Q488 HydrophobicContact SD-CB 4.37Å; M219-Q488 HydrophobicContact SD-CG 3.89Å
220L96.8Very high94.7Very high1 Ų138.6 Ų38.61%0.00519%0.194CC..Hα-helixtrans-64.2-40.2-176.6178.864.7000111L160 V163 F176 F179 N216 A217 T218 S224 V243 F244 V247L160-L220 HydrophobicContact CD1-CD2 3.5Å; L160-L220 VanDerWaalsContact CD1-CD2 3.5Å; V163-L220 HydrophobicContact CG1-CD2 4.12Å; V163-L220 HydrophobicContact CG1-CG 4.26Å; F176-L220 HydrophobicContact CE2-CB 4.44Å; F176-L220 HydrophobicContact CE2-CD2 4.28Å; F176-L220 HydrophobicContact CE2-CG 4.46Å; F179-L220 HydrophobicContact CE1-CD2 4.22Å; F179-L220 HydrophobicContact CZ-CD2 4.4Å; N216-L220 WeakPolarHBondContact O-CB 3.44Å; N216-L220 PolarHBondContact O-N 3.35Å; A217-L220 WeakPolarHBondContact O-CB 3.44Å; A217-L220 PolarHBondContact O-N 3.22Å; T218-L220 PolarHBondContact O-N 3.47Å; L220-S224 WeakPolarHBondContact O-CB 3.42Å; L220-S224 PolarHBondContact O-N 2.88Å; L220-S224 PolarHBondContact O-OG 2.87Å; L220-V243 HydrophobicContact CB-CG1 3.77Å; L220-V243 HydrophobicContact CD1-CG1 4.28Å; L220-F244 HydrophobicContact CD1-CB 4.47Å; L220-F244 HydrophobicContact CD1-CD2 4.48Å; L220-V247 HydrophobicContact CD2-CG2 4.42Å
221Y95.8Very high94.7Very high67 Ų6739.8 Ų39.826%0.26321%0.209SC..Hα-helixtrans-67.2-54.2-179.9-175.5-103.8000111.3L172 F176 T218 M219 A223 S224 Q225L172-Y221 HydrophobicContact CD2-CD2 4.33Å; L172-Y221 HydrophobicContact CD2-CE2 4.18Å; L172-Y221 HydrophobicContact CG-CD2 4.28Å; L172-Y221 HydrophobicContact CG-CE2 4.06Å; F176-Y221 HydrophobicContact CB-CD2 3.92Å; F176-Y221 HydrophobicContact CB-CE2 4.25Å; F176-Y221 AromaticContact CD1-CD2 3.65Å; F176-Y221 HydrophobicContact CD1-CD2 3.65Å; F176-Y221 HydrophobicContact CD1-CE2 4.33Å; F176-Y221 HydrophobicContact CD1-CG 4.21Å; F176-Y221 AromaticContact CD2-CD2 3.97Å; F176-Y221 HydrophobicContact CD2-CD2 3.97Å; F176-Y221 HydrophobicContact CE1-CD2 4.15Å; F176-Y221 HydrophobicContact CE1-CG 4.25Å; F176-Y221 HydrophobicContact CE2-CD2 4.43Å; F176-Y221 AromaticContact CG-CD2 3.56Å; F176-Y221 HydrophobicContact CG-CD2 3.56Å; F176-Y221 HydrophobicContact CG-CE2 4.3Å; F176-Y221 HydrophobicContact CG-CG 4.37Å; F176-Y221 HydrophobicContact CZ-CG 4.45Å; T218-Y221 PolarHBondContact O-N 2.84Å; M219-Y221 VanDerWaalsContact C-N 3.32Å; M219-Y221 PolarHBondContact O-N 3.32Å; Y221-A223 PolarHBondContact O-N 3.35Å; Y221-S224 PolarHBondContact O-N 3.46Å; Y221-Q225 WeakPolarHBondContact O-CB 3.42Å; Y221-Q225 PolarHBondContact O-N 3.47Å
222T96.2Very high94.8Very high14 Ų1442.9 Ų42.99%0.08622%0.216CC..Hα-helixtrans-64.2-42.1-177.256.50000111.9M219 Q225 A226 N481 V484M219-T222 PolarHBondContact O-OG1 2.89Å; T222-Q225 PolarHBondContact O-N 3.01Å; T222-A226 WeakPolarHBondContact O-CB 3.27Å; T222-A226 PolarHBondContact O-N 3.07Å; T222-N481 PolarHBondContact OG1-OD1 3.48Å; T222-V484 HydrophobicContact CG2-CG2 3.96Å
223A97.5Very high95Very high0 Ų042.1 Ų42.10%021%0.207CC..Hα-helixtrans-66.3-39.6177.500000112M219 Y221 F227 N239 R240 N481 F485M219-A223 WeakPolarHBondContact O-CB 3.5Å; M219-A223 PolarHBondContact O-N 2.92Å; Y221-A223 PolarHBondContact O-N 3.35Å; A223-F227 WeakPolarHBondContact O-CB 3.32Å; A223-F227 PolarHBondContact O-N 3.41Å; A223-N239 HydrophobicContact CB-CB 4.16Å; A223-R240 HydrophobicContact CB-CB 4.4Å; A223-N481 WeakPolarHBondContact CA-OD1 3.44Å; A223-N481 PolarHBondContact N-OD1 3Å; A223-F485 HydrophobicContact CB-CE2 4.45Å
224S97.9Very high95Very high0 Ų045.7 Ų45.70%024%0.238CC..Hα-helixtrans-67.6-38.9175.3-64.60000112.1L220 Y221 F227 L228 R240L220-S224 WeakPolarHBondContact O-CB 3.42Å; L220-S224 PolarHBondContact O-N 2.88Å; L220-S224 PolarHBondContact O-OG 2.87Å; Y221-S224 PolarHBondContact O-N 3.46Å; S224-F227 PolarHBondContact O-N 2.8Å; S224-L228 WeakPolarHBondContact O-CG 3.48Å; S224-L228 PolarHBondContact O-N 2.92Å; S224-R240 PolarHBondContact OG-NE 3.29Å
225Q96.9Very high95.3Very high29 Ų2938.2 Ų38.214%0.13621%0.207CC..Hα-helixtrans-66.5-43.5177.3-163.7-177.35.800111E169 L172 Y221 T222 F227 L228 R229 V477E169-Q225 HydrophobicContact CG-CG 4.28Å; L172-Q225 HydrophobicContact CD2-CB 3.9Å; L172-Q225 HydrophobicContact CD2-CG 4.46Å; Y221-Q225 WeakPolarHBondContact O-CB 3.42Å; Y221-Q225 PolarHBondContact O-N 3.47Å; T222-Q225 PolarHBondContact O-N 3.01Å; Q225-F227 VanDerWaalsContact C-N 3.33Å; Q225-F227 PolarHBondContact O-N 3.49Å; Q225-L228 PolarHBondContact O-N 2.9Å; Q225-R229 WeakPolarHBondContact O-CB 3.34Å; Q225-R229 PolarHBondContact O-N 3.28Å; Q225-V477 HydrophobicContact CB-CG1 3.8Å; Q225-V477 HydrophobicContact CG-CG1 3.61Å; Q225-V477 HydrophobicContact CG-CG2 4.09Å
226A97.1Very high95.7Very high0 Ų035.4 Ų35.40%020%0.195CC..Hα-helixtrans-59.5-43.6175.800000111.7T222 R229 H230 T236 V477 N481T222-A226 WeakPolarHBondContact O-CB 3.27Å; T222-A226 PolarHBondContact O-N 3.07Å; A226-R229 PolarHBondContact O-N 2.58Å; A226-H230 PolarHBondContact O-N 3.1Å; A226-T236 HydrophobicContact CB-CG2 4.22Å; A226-V477 HydrophobicContact CB-CG1 4.07Å; A226-V477 VanDerWaalsContact N-CG1 3.33Å; A226-N481 HydrophobicContact CB-CB 4.21Å
227F97.7Very high95.9Very high26 Ų2642 Ų4211%0.11422%0.219CC..Hα-helixtrans-64-41.8175.8175-104000113.4A223 S224 Q225 R229 H230 P231 R237 R240A223-F227 WeakPolarHBondContact O-CB 3.32Å; A223-F227 PolarHBondContact O-N 3.41Å; S224-F227 PolarHBondContact O-N 2.8Å; Q225-F227 VanDerWaalsContact C-N 3.33Å; Q225-F227 PolarHBondContact O-N 3.49Å; F227-R229 VanDerWaalsContact C-N 3.33Å; F227-H230 CarbonylContact O-C 3.55Å; F227-P231 VanDerWaalsContact O-CA 3.3Å; F227-P231 WeakPolarHBondContact O-CA 3.34Å; F227-R237 HydrophobicContact CD2-CB 3.82Å; F227-R237 HydrophobicContact CD2-CG 4.43Å; F227-R237 HydrophobicContact CE2-CB 3.76Å; F227-R237 HydrophobicContact CE2-CG 4.05Å; F227-R240 HydrophobicContact CB-CB 4.39Å; F227-R240 VanDerWaalsContact CD1-NH1 3.34Å; F227-R240 VanDerWaalsContact CE1-NH1 3.26Å
228L97.2Very high96.2Very high37 Ų3743 Ų4319%0.19423%0.228CC..Hα-helixtrans-67.7-34.5178.4-74.7171.8000112.6A166 L172 S224 Q225A166-L228 HydrophobicContact CB-CD1 4.39Å; A166-L228 WeakPolarHBondContact O-CD2 3.21Å; L172-L228 HydrophobicContact CB-CD1 3.76Å; L172-L228 HydrophobicContact CD2-CD1 3.83Å; L172-L228 HydrophobicContact CG-CD1 4.29Å; S224-L228 WeakPolarHBondContact O-CG 3.48Å; S224-L228 PolarHBondContact O-N 2.92Å; Q225-L228 PolarHBondContact O-N 2.9Å
229R96.8Very high96.8Very high142 Ų14239 Ų3954%0.53620%0.203SC..Hα-helixtrans-80.4-35.4-179.1-170.553.9157.8-130.16.2112.8E169 Q225 A226 F227 P231E169-R229 VanDerWaalsContact OE1-CD 3.26Å; E169-R229 WeakPolarHBondContact OE1-CD 3.46Å; E169-R229 IonicContact OE1-CZ 3.62Å; E169-R229 IonicContact OE1-NE 2.67Å; E169-R229 IonicContact OE1-NH1 3.53Å; E169-R229 PolarHBondContact OE1-NH1 2.8Å; E169-R229 IonicContact OE2-NH1 3.51Å; Q225-R229 WeakPolarHBondContact O-CB 3.34Å; Q225-R229 PolarHBondContact O-N 3.28Å; A226-R229 PolarHBondContact O-N 2.58Å; F227-R229 VanDerWaalsContact C-N 3.33Å; R229-P231 VanDerWaalsContact C-CD 3.45Å
230H96.9Very high96.8Very high20 Ų2039.7 Ų39.79%0.09321%0.206CC..  trans-13062-176.4-53.6-65.6000112A226 F227 D232 V233 T236 R472 S475A226-H230 PolarHBondContact O-N 3.1Å; F227-H230 CarbonylContact O-C 3.55Å; H230-D232 PolarHBondContact O-N 3.26Å; H230-V233 HydrophobicContact CB-CB 4.4Å; H230-V233 HydrophobicContact CB-CG2 4.07Å; H230-V233 PolarHBondContact O-N 3.17Å; H230-V233 VanDerWaalsContact O-N 3.12Å; H230-T236 HydrophobicContact CB-CG2 4.34Å; H230-T236 PolarHBondContact O-OG1 3.33Å; H230-R472 HydrophobicContact CB-CG 4.42Å; H230-R472 WeakPolarHBondContact ND1-CD 3.43Å; H230-R472 WeakPolarHBondContact ND1-CG 3.41Å; H230-R472 PolarHBondContact ND1-NE 3.34Å; H230-S475 WeakPolarHBondContact NE2-CB 3.47Å; H230-S475 PolarHBondContact NE2-OG 3.11Å
231P95.2Very high96.8Very high80 Ų8043.2 Ų43.252%0.51923%0.225SC..THydrogen-bonded Turntrans-67.8-16.6-175.828.8-36.7000113.8F227 R229 V233F227-P231 VanDerWaalsContact O-CA 3.3Å; F227-P231 WeakPolarHBondContact O-CA 3.34Å; R229-P231 VanDerWaalsContact C-CD 3.45Å; P231-V233 VanDerWaalsContact C-N 3.32Å
232D96.2Very high96.9Very high106 Ų10641.7 Ų41.757%0.56722%0.219SC*.THydrogen-bonded Turntrans-74.5-20.8175.159.9-55.6000113H230 A234 R472H230-D232 PolarHBondContact O-N 3.26Å; D232-A234 PolarHBondContact O-N 3.06Å; D232-R472 IonicContact OD1-NH2 3.42Å; D232-R472 IonicContact OD2-CZ 3.48Å; D232-R472 IonicContact OD2-NH2 3.34Å; D232-R472 PolarHBondContact OD2-NH2 3.13Å
233V96.3Very high96.9Very high20 Ų2041 Ų4112%0.12122%0.215CC..  trans-89.4104.1178.5-178.10000109.5H230 P231 A235 T236 A471 R472H230-V233 HydrophobicContact CB-CB 4.4Å; H230-V233 HydrophobicContact CB-CG2 4.07Å; H230-V233 PolarHBondContact O-N 3.17Å; H230-V233 VanDerWaalsContact O-N 3.12Å; P231-V233 VanDerWaalsContact C-N 3.32Å; V233-A235 HydrophobicContact CG1-CB 4.2Å; V233-A235 PolarHBondContact O-N 2.86Å; V233-T236 HydrophobicContact CB-CG2 4.08Å; V233-T236 HydrophobicContact CG1-CG2 4.25Å; V233-T236 PolarHBondContact O-N 3.41Å; V233-T236 PolarHBondContact O-OG1 3.37Å; V233-A471 HydrophobicContact CG1-CB 4.35Å; V233-A471 HydrophobicContact CG2-CB 4.02Å; V233-R472 HydrophobicContact CG2-CG 4.42Å
234A95.4Very high96.9Very high83 Ų8341.4 Ų41.469%0.68622%0.216SC*.Hα-helixtrans-54-32.6-175.800000114.3D232 T236 R237 A238D232-A234 PolarHBondContact O-N 3.06Å; A234-T236 VanDerWaalsContact C-N 3.28Å; A234-T236 PolarHBondContact O-N 2.68Å; A234-R237 PolarHBondContact O-N 3.44Å; A234-A238 PolarHBondContact O-N 3.45Å
235A97Very high96.9Very high11 Ų1146.8 Ų46.89%0.09124%0.24CC..Hα-helixtrans-61.8-32179.800000113.4V233 R237 A238 N239 N464 L467V233-A235 HydrophobicContact CG1-CB 4.2Å; V233-A235 PolarHBondContact O-N 2.86Å; A235-R237 VanDerWaalsContact C-N 3.33Å; A235-R237 PolarHBondContact O-N 3.44Å; A235-A238 PolarHBondContact O-N 3.36Å; A235-N239 PolarHBondContact O-N 2.89Å; A235-N239 VanDerWaalsContact O-N 3.08Å; A235-N464 HydrophobicContact CB-CB 3.96Å; A235-N464 WeakPolarHBondContact CB-O 3.37Å; A235-L467 HydrophobicContact CB-CB 4.16Å
236T97.6Very high96.8Very high0 Ų047.5 Ų47.50%024%0.243CC..Hα-helixtrans-63.8-39.9177.561.70000111.9A226 H230 V233 A234 R240 T468A226-T236 HydrophobicContact CB-CG2 4.22Å; H230-T236 HydrophobicContact CB-CG2 4.34Å; H230-T236 PolarHBondContact O-OG1 3.33Å; V233-T236 HydrophobicContact CB-CG2 4.08Å; V233-T236 HydrophobicContact CG1-CG2 4.25Å; V233-T236 PolarHBondContact O-N 3.41Å; V233-T236 PolarHBondContact O-OG1 3.37Å; A234-T236 VanDerWaalsContact C-N 3.28Å; A234-T236 PolarHBondContact O-N 2.68Å; T236-R240 WeakPolarHBondContact O-CB 3.49Å; T236-R240 PolarHBondContact O-N 3.38Å; T236-T468 HydrophobicContact CG2-CG2 3.44Å; T236-T468 VanDerWaalsContact CG2-CG2 3.44Å
237R97.1Very high96.8Very high141 Ų14147.6 Ų47.653%0.53224%0.243SC..Hα-helixtrans-64-45.4176.4-174.5-177.9-66.1-142.5-0.3110.7F227 A234 A235 N239 R240 D241F227-R237 HydrophobicContact CD2-CB 3.82Å; F227-R237 HydrophobicContact CD2-CG 4.43Å; F227-R237 HydrophobicContact CE2-CB 3.76Å; F227-R237 HydrophobicContact CE2-CG 4.05Å; A234-R237 PolarHBondContact O-N 3.44Å; A235-R237 VanDerWaalsContact C-N 3.33Å; A235-R237 PolarHBondContact O-N 3.44Å; R237-N239 PolarHBondContact O-N 2.87Å; R237-R240 PolarHBondContact O-N 2.84Å; R237-D241 WeakPolarHBondContact CG-OD2 3.37Å; R237-D241 WeakPolarHBondContact O-CB 3.31Å; R237-D241 PolarHBondContact O-N 2.96Å
238A97.3Very high96.7Very high38 Ų3850.6 Ų50.631%0.31426%0.258SS..Hα-helixtrans-60.1-44.9179.800000112.1A234 A235 Y242 N464A234-A238 PolarHBondContact O-N 3.45Å; A235-A238 PolarHBondContact O-N 3.36Å; A238-Y242 WeakPolarHBondContact O-CB 3.33Å; A238-Y242 PolarHBondContact O-N 3.11Å; A238-N464 WeakPolarHBondContact CB-ND2 3.31Å
239N97.2Very high96.6Very high0 Ų053.1 Ų53.10%027%0.269CS..Hα-helixtrans-59.5-49.2173.5-78.6161.1000112.1A223 A235 R237 Y242 V243 Q461 N464 A465 N481 F485A223-N239 HydrophobicContact CB-CB 4.16Å; A235-N239 PolarHBondContact O-N 2.89Å; A235-N239 VanDerWaalsContact O-N 3.08Å; R237-N239 PolarHBondContact O-N 2.87Å; N239-Y242 PolarHBondContact O-N 3.33Å; N239-V243 WeakPolarHBondContact O-CG2 3.22Å; N239-V243 PolarHBondContact O-N 3Å; N239-Q461 WeakPolarHBondContact ND2-CA 3.09Å; N239-Q461 PolarHBondContact ND2-O 3.15Å; N239-Q461 PolarHBondContact ND2-OE1 3.49Å; N239-N464 VanDerWaalsContact ND2-CB 3.3Å; N239-N464 WeakPolarHBondContact ND2-CB 3.46Å; N239-A465 PolarHBondContact OD1-N 3.45Å; N239-N481 PolarHBondContact OD1-ND2 2.83Å; N239-F485 HydrophobicContact CB-CE2 3.98Å; N239-F485 HydrophobicContact CB-CZ 3.88Å
240R97.1Very high96.5Very high19 Ų1946.6 Ų46.67%0.07225%0.245CC..Hα-helixtrans-60.4-48.3-178.4-174.5-168.6-169.3-155.97.5112.1V163 K164 A223 S224 F227 T236 R237 V243 F244V163-R240 PolarHBondContact O-NH2 3.34Å; K164-R240 VanDerWaalsContact CA-NH2 3.32Å; K164-R240 VanDerWaalsContact O-CZ 3.29Å; K164-R240 PolarHBondContact O-NH1 2.96Å; K164-R240 PolarHBondContact O-NH2 3.16Å; A223-R240 HydrophobicContact CB-CB 4.4Å; S224-R240 PolarHBondContact OG-NE 3.29Å; F227-R240 HydrophobicContact CB-CB 4.39Å; F227-R240 VanDerWaalsContact CD1-NH1 3.34Å; F227-R240 VanDerWaalsContact CE1-NH1 3.26Å; T236-R240 WeakPolarHBondContact O-CB 3.49Å; T236-R240 PolarHBondContact O-N 3.38Å; R237-R240 PolarHBondContact O-N 2.84Å; R240-V243 PolarHBondContact O-N 3.42Å; R240-F244 WeakPolarHBondContact O-CB 3.33Å; R240-F244 PolarHBondContact O-N 3.29Å
241D96.9Very high96.5Very high74 Ų7445.7 Ų45.740%0.39624%0.241SC..Hα-helixtrans-66.8-38.9-177.1-71.7-14000111.3R237 K245R237-D241 WeakPolarHBondContact CG-OD2 3.37Å; R237-D241 WeakPolarHBondContact O-CB 3.31Å; R237-D241 PolarHBondContact O-N 2.96Å; D241-K245 WeakPolarHBondContact O-CB 3.31Å; D241-K245 PolarHBondContact O-N 3.41Å
242Y97.4Very high96.4Very high36 Ų3643.9 Ų43.914%0.14123%0.233CC..Hα-helixtrans-58.4-54.6171.9169.6-94000111.3A238 N239 F244 K245 Q246 S457 Q461A238-Y242 WeakPolarHBondContact O-CB 3.33Å; A238-Y242 PolarHBondContact O-N 3.11Å; N239-Y242 PolarHBondContact O-N 3.33Å; Y242-F244 VanDerWaalsContact C-N 3.29Å; Y242-F244 PolarHBondContact O-N 3.1Å; Y242-K245 WeakPolarHBondContact O-CB 3.49Å; Y242-K245 PolarHBondContact O-N 3.45Å; Y242-K245 VanDerWaalsContact O-N 3.13Å; Y242-Q246 HydrophobicContact CD1-CG 4.14Å; Y242-Q246 HydrophobicContact CD2-CG 4.38Å; Y242-Q246 HydrophobicContact CE1-CG 3.69Å; Y242-Q246 HydrophobicContact CE2-CG 3.96Å; Y242-Q246 HydrophobicContact CG-CG 4.47Å; Y242-Q246 WeakPolarHBondContact O-CG 3.26Å; Y242-Q246 PolarHBondContact O-N 3.31Å; Y242-S457 PolarHBondContact OH-OG 2.97Å; Y242-Q461 HydrophobicContact CD1-CG 3.63Å; Y242-Q461 HydrophobicContact CD2-CG 4Å; Y242-Q461 HydrophobicContact CE1-CG 3.87Å; Y242-Q461 HydrophobicContact CE2-CG 4.21Å; Y242-Q461 HydrophobicContact CG-CG 3.7Å
243V97.2Very high96.2Very high0 Ų040 Ų400%022%0.217CC..Hα-helixtrans-63.4-39.9-176.3179.40000111N216 M219 L220 N239 R240 K245 Q246 V247 F485N216-V243 HydrophobicContact CB-CG1 4.25Å; N216-V243 VanDerWaalsContact O-CG1 3.29Å; N216-V243 WeakPolarHBondContact O-CG1 3.33Å; M219-V243 HydrophobicContact CB-CG1 3.84Å; M219-V243 HydrophobicContact CB-CG2 3.8Å; M219-V243 HydrophobicContact CE-CG2 4.12Å; L220-V243 HydrophobicContact CB-CG1 3.77Å; L220-V243 HydrophobicContact CD1-CG1 4.28Å; N239-V243 WeakPolarHBondContact O-CG2 3.22Å; N239-V243 PolarHBondContact O-N 3Å; R240-V243 PolarHBondContact O-N 3.42Å; V243-K245 VanDerWaalsContact C-N 3.33Å; V243-K245 PolarHBondContact O-N 2.94Å; V243-Q246 PolarHBondContact O-N 2.88Å; V243-V247 HydrophobicContact CG1-CG2 4.44Å; V243-V247 WeakPolarHBondContact O-CG2 3.43Å; V243-V247 PolarHBondContact O-N 3.07Å; V243-F485 HydrophobicContact CG2-CZ 3.92Å
244F97Very high96.2Very high7 Ų739 Ų393%0.03121%0.212CC..Hα-helixtrans-56.6-47.3174.8-174.5-93.9000111.6L160 E161 K164 L220 R240 Y242 Q246 V247 Q248L160-F244 HydrophobicContact CD1-CD2 3.73Å; L160-F244 HydrophobicContact CD1-CE2 3.65Å; L160-F244 HydrophobicContact CD2-CE2 4.12Å; L160-F244 HydrophobicContact CD2-CZ 4.37Å; L160-F244 HydrophobicContact CG-CD2 4.01Å; L160-F244 HydrophobicContact CG-CE2 3.44Å; L160-F244 VanDerWaalsContact CG-CE2 3.44Å; L160-F244 HydrophobicContact CG-CZ 4.03Å; E161-F244 VanDerWaalsContact OE2-CZ 3.3Å; E161-F244 WeakPolarHBondContact OE2-CZ 3.44Å; K164-F244 HydrophobicContact CB-CD2 3.82Å; K164-F244 HydrophobicContact CB-CE2 3.43Å; K164-F244 VanDerWaalsContact CB-CE2 3.43Å; K164-F244 HydrophobicContact CB-CZ 4.08Å; K164-F244 HydrophobicContact CD-CD1 3.9Å; K164-F244 HydrophobicContact CD-CD2 3.81Å; K164-F244 HydrophobicContact CD-CE1 3.6Å; K164-F244 HydrophobicContact CD-CE2 3.51Å; K164-F244 HydrophobicContact CD-CG 3.99Å; K164-F244 HydrophobicContact CD-CZ 3.42Å; K164-F244 VanDerWaalsContact CD-CZ 3.42Å; K164-F244 HydrophobicContact CG-CD2 4.23Å; K164-F244 HydrophobicContact CG-CE2 4.05Å; K164-F244 HydrophobicContact CG-CZ 4.4Å; L220-F244 HydrophobicContact CD1-CB 4.47Å; L220-F244 HydrophobicContact CD1-CD2 4.48Å; R240-F244 WeakPolarHBondContact O-CB 3.33Å; R240-F244 PolarHBondContact O-N 3.29Å; Y242-F244 VanDerWaalsContact C-N 3.29Å; Y242-F244 PolarHBondContact O-N 3.1Å; F244-Q246 PolarHBondContact O-N 3Å; F244-V247 PolarHBondContact O-N 3.28Å; F244-Q248 HydrophobicContact CD1-CG 4.25Å; F244-Q248 HydrophobicContact CE1-CG 3.94Å; F244-Q248 HydrophobicContact CZ-CG 4.41Å; F244-Q248 WeakPolarHBondContact O-CG 3.28Å; F244-Q248 PolarHBondContact O-N 2.9Å
245K96.5Very high96.1Very high114 Ų11436.3 Ų36.350%0.49619%0.188SC..Hα-helixtrans-60.8-43.5176.2-171.4-173.7178.8-151.40111.9D241 Y242 V243 V247 Q248 E249D241-K245 WeakPolarHBondContact O-CB 3.31Å; D241-K245 PolarHBondContact O-N 3.41Å; Y242-K245 WeakPolarHBondContact O-CB 3.49Å; Y242-K245 PolarHBondContact O-N 3.45Å; Y242-K245 VanDerWaalsContact O-N 3.13Å; V243-K245 VanDerWaalsContact C-N 3.33Å; V243-K245 PolarHBondContact O-N 2.94Å; K245-V247 VanDerWaalsContact C-N 3.3Å; K245-V247 PolarHBondContact O-N 3.43Å; K245-Q248 WeakPolarHBondContact O-CB 3.24Å; K245-Q248 PolarHBondContact O-N 3.22Å; K245-Q248 VanDerWaalsContact O-N 3.13Å; K245-E249 WeakPolarHBondContact CE-OE1 3.31Å; K245-E249 IonicContact NZ-OE1 2.72Å; K245-E249 PolarHBondContact NZ-OE1 3.41Å; K245-E249 WeakPolarHBondContact O-CG 3.35Å; K245-E249 PolarHBondContact O-N 3.06Å
246Q96.2Very high95.9Very high44 Ų4438.5 Ų38.521%0.20620%0.198CC..Hα-helixtrans-63.1-34.6177.8-64.4-56.2109.200112.8N216 Y242 V243 F244 E249 A250N216-Q246 HydrophobicContact CB-CB 4.47Å; N216-Q246 VanDerWaalsContact ND2-CB 3.31Å; N216-Q246 WeakPolarHBondContact ND2-CB 3.44Å; Y242-Q246 HydrophobicContact CD1-CG 4.14Å; Y242-Q246 HydrophobicContact CD2-CG 4.38Å; Y242-Q246 HydrophobicContact CE1-CG 3.69Å; Y242-Q246 HydrophobicContact CE2-CG 3.96Å; Y242-Q246 HydrophobicContact CG-CG 4.47Å; Y242-Q246 WeakPolarHBondContact O-CG 3.26Å; Y242-Q246 PolarHBondContact O-N 3.31Å; V243-Q246 PolarHBondContact O-N 2.88Å; F244-Q246 PolarHBondContact O-N 3Å; Q246-E249 PolarHBondContact OE1-OE2 3.27Å; Q246-A250 WeakPolarHBondContact O-CB 3.4Å; Q246-A250 PolarHBondContact O-N 3.49Å; Q246-A250 VanDerWaalsContact O-N 3.08Å
247V96.4Very high95.6Very high1 Ų138.5 Ų38.51%0.00620%0.198CC..Hα-helixtrans-67.1-43173.2177.70000110.5L160 F179 L213 N216 L220 V243 F244 K245 A250 I251L160-V247 HydrophobicContact CD1-CB 4.32Å; L160-V247 HydrophobicContact CD1-CG1 3.86Å; L160-V247 HydrophobicContact CD2-CB 4.06Å; L160-V247 HydrophobicContact CD2-CG1 3.47Å; L160-V247 VanDerWaalsContact CD2-CG1 3.47Å; L160-V247 HydrophobicContact CG-CG1 4.25Å; F179-V247 HydrophobicContact CZ-CG1 4.25Å; L213-V247 HydrophobicContact CD1-CG1 3.67Å; N216-V247 HydrophobicContact CB-CG2 3.6Å; L220-V247 HydrophobicContact CD2-CG2 4.42Å; V243-V247 HydrophobicContact CG1-CG2 4.44Å; V243-V247 WeakPolarHBondContact O-CG2 3.43Å; V243-V247 PolarHBondContact O-N 3.07Å; F244-V247 PolarHBondContact O-N 3.28Å; K245-V247 VanDerWaalsContact C-N 3.3Å; K245-V247 PolarHBondContact O-N 3.43Å; V247-A250 PolarHBondContact O-N 3.29Å; V247-I251 HydrophobicContact CG1-CD1 4.13Å; V247-I251 WeakPolarHBondContact O-CG1 3.48Å; V247-I251 PolarHBondContact O-N 2.86Å
248Q95.9Very high95.3Very high89 Ų8931.8 Ų31.842%0.41617%0.173SC..Hα-helixtrans-62-43.2176.4-68.5-176.5-58.600112.4L160 F244 K245 A250 I251 A252L160-Q248 HydrophobicContact CD2-CG 3.88Å; F244-Q248 HydrophobicContact CD1-CG 4.25Å; F244-Q248 HydrophobicContact CE1-CG 3.94Å; F244-Q248 HydrophobicContact CZ-CG 4.41Å; F244-Q248 WeakPolarHBondContact O-CG 3.28Å; F244-Q248 PolarHBondContact O-N 2.9Å; K245-Q248 WeakPolarHBondContact O-CB 3.24Å; K245-Q248 PolarHBondContact O-N 3.22Å; K245-Q248 VanDerWaalsContact O-N 3.13Å; Q248-A250 VanDerWaalsContact C-N 3.32Å; Q248-A250 PolarHBondContact O-N 3.13Å; Q248-I251 PolarHBondContact O-N 3.44Å; Q248-A252 WeakPolarHBondContact O-CB 3.47Å; Q248-A252 PolarHBondContact O-N 2.87Å
249E94.6Very high94.8Very high90 Ų9030.3 Ų30.342%0.42116%0.159SC..Hα-helixtrans-62.7-39.1176.2-72.4177.7-176.300111.7K245 Q246 A252 G253K245-E249 WeakPolarHBondContact CE-OE1 3.31Å; K245-E249 IonicContact NZ-OE1 2.72Å; K245-E249 PolarHBondContact NZ-OE1 3.41Å; K245-E249 WeakPolarHBondContact O-CG 3.35Å; K245-E249 PolarHBondContact O-N 3.06Å; Q246-E249 PolarHBondContact OE1-OE2 3.27Å; E249-A252 PolarHBondContact O-N 3.49Å; E249-G253 PolarHBondContact O-N 2.84Å
250A95.4Very high94Very high5 Ų532 Ų324%0.04117%0.173CC..Hα-helixtrans-65.7-40.7175.600000112.4A212 L213 Q246 V247 Q248 G253 I254A212-A250 HydrophobicContact CB-CB 4.12Å; L213-A250 HydrophobicContact CB-CB 3.88Å; L213-A250 HydrophobicContact CD1-CB 4.14Å; Q246-A250 WeakPolarHBondContact O-CB 3.4Å; Q246-A250 PolarHBondContact O-N 3.49Å; Q246-A250 VanDerWaalsContact O-N 3.08Å; V247-A250 PolarHBondContact O-N 3.29Å; Q248-A250 VanDerWaalsContact C-N 3.32Å; Q248-A250 PolarHBondContact O-N 3.13Å; A250-G253 PolarHBondContact O-N 3.44Å; A250-I254 WeakPolarHBondContact O-CG1 3.32Å; A250-I254 PolarHBondContact O-N 3.43Å
251I95.8Very high92.8Very high1 Ų133.2 Ų33.21%0.00518%0.183CC..Hα-helixtrans-62-46.7173.6-68.5169.9000110.5L153 V156 E157 L160 L213 V247 Q248 G253 I254 S255L153-I251 HydrophobicContact CB-CG2 4.36Å; L153-I251 HydrophobicContact CD2-CB 4.4Å; L153-I251 HydrophobicContact CD2-CG2 3.7Å; V156-I251 HydrophobicContact CG1-CD1 3.89Å; V156-I251 HydrophobicContact CG1-CG1 4.46Å; E157-I251 HydrophobicContact CG-CD1 4.01Å; E157-I251 HydrophobicContact CG-CG2 3.62Å; E157-I251 WeakPolarHBondContact OE1-CG2 3.39Å; L160-I251 HydrophobicContact CD2-CD1 3.84Å; L213-I251 HydrophobicContact CD1-CG1 4.05Å; V247-I251 HydrophobicContact CG1-CD1 4.13Å; V247-I251 WeakPolarHBondContact O-CG1 3.48Å; V247-I251 PolarHBondContact O-N 2.86Å; Q248-I251 PolarHBondContact O-N 3.44Å; I251-G253 VanDerWaalsContact C-N 3.3Å; I251-G253 PolarHBondContact O-N 2.95Å; I251-I254 PolarHBondContact O-N 3.29Å; I251-S255 PolarHBondContact O-N 2.92Å
252A93.6Very high91.2Very high43 Ų4330.6 Ų30.636%0.35517%0.17SC..Hα-helixtrans-61.6-38.4176.700000112.1Q248 E249 S255 N256Q248-A252 WeakPolarHBondContact O-CB 3.47Å; Q248-A252 PolarHBondContact O-N 2.87Å; E249-A252 PolarHBondContact O-N 3.49Å; A252-S255 WeakPolarHBondContact O-CB 3.26Å; A252-S255 PolarHBondContact O-N 3.18Å; A252-N256 VanDerWaalsContact O-CG 3.28Å; A252-N256 PolarHBondContact O-N 3.07Å; A252-N256 PolarHBondContact O-ND2 2.99Å
253G93.4Very high89.2Confident23 Ų2333.2 Ų33.224%0.23719%0.191CC..Hα-helixtrans-60.1-46.9174.300000112.7E249 A250 I251 S255 N256 A257E249-G253 PolarHBondContact O-N 2.84Å; A250-G253 PolarHBondContact O-N 3.44Å; I251-G253 VanDerWaalsContact C-N 3.3Å; I251-G253 PolarHBondContact O-N 2.95Å; G253-S255 VanDerWaalsContact C-N 3.31Å; G253-S255 PolarHBondContact O-N 2.91Å; G253-N256 PolarHBondContact O-N 3.49Å; G253-A257 WeakPolarHBondContact O-CB 3.19Å; G253-A257 PolarHBondContact O-N 3.43Å
254I95.3Very high87.1Confident1 Ų137.4 Ų37.41%0.00522%0.217CC..Hα-helixtrans-61.1-42.4174.7-63.1172.6000110.5L153 A190 M206 A209 R210 L213 A250 I251 A258L153-I254 HydrophobicContact CD1-CG2 4.1Å; L153-I254 HydrophobicContact CD2-CB 3.98Å; L153-I254 HydrophobicContact CD2-CG2 3.93Å; L153-I254 HydrophobicContact CG-CG2 4.46Å; A190-I254 HydrophobicContact CB-CG2 4.09Å; M206-I254 HydrophobicContact CE-CG2 3.74Å; A209-I254 HydrophobicContact CB-CG1 3.68Å; R210-I254 HydrophobicContact CG-CD1 3.95Å; R210-I254 HydrophobicContact CG-CG1 4.26Å; L213-I254 HydrophobicContact CD2-CD1 3.81Å; A250-I254 WeakPolarHBondContact O-CG1 3.32Å; A250-I254 PolarHBondContact O-N 3.43Å; I251-I254 PolarHBondContact O-N 3.29Å; I254-A258 WeakPolarHBondContact O-CB 3.3Å; I254-A258 PolarHBondContact O-N 3.48Å
255S94.3Very high84.9Confident26 Ų2639.3 Ų39.318%0.18223%0.228CC..Hα-helixtrans-60.8-46178.3-173.60000112.6L150 I251 A252 G253 Q259L150-S255 WeakPolarHBondContact CD2-OG 3.4Å; I251-S255 PolarHBondContact O-N 2.92Å; A252-S255 WeakPolarHBondContact O-CB 3.26Å; A252-S255 PolarHBondContact O-N 3.18Å; G253-S255 VanDerWaalsContact C-N 3.31Å; G253-S255 PolarHBondContact O-N 2.91Å; S255-Q259 WeakPolarHBondContact O-CB 3.44Å; S255-Q259 WeakPolarHBondContact O-CG 3.45Å; S255-Q259 PolarHBondContact O-N 3.42Å; S255-Q259 PolarHBondContact O-NE2 3.36Å; S255-Q259 PolarHBondContact OG-NE2 3.31Å
256N91.9Very high82.4Confident56 Ų5642.5 Ų42.530%0.29924%0.244SC..Hα-helixtrans-68.4-45-179.5-70.3-27.7000111.8A252 G253 Q259 A260 T261A252-N256 VanDerWaalsContact O-CG 3.28Å; A252-N256 PolarHBondContact O-N 3.07Å; A252-N256 PolarHBondContact O-ND2 2.99Å; G253-N256 PolarHBondContact O-N 3.49Å; N256-Q259 CarbonylContact O-C 3.56Å; N256-Q259 PolarHBondContact O-N 3.22Å; N256-A260 PolarHBondContact O-N 3.09Å; N256-T261 PolarHBondContact O-N 2.84Å
257A91.2Very high79.6Confident0 Ų044.3 Ų44.30%027%0.267CS..Hα-helixtrans-65.9-39.7178.400000112E205 M206 G253 Q259 A260E205-A257 HydrophobicContact CB-CB 4.02Å; M206-A257 HydrophobicContact CB-CB 3.85Å; G253-A257 WeakPolarHBondContact O-CB 3.19Å; G253-A257 PolarHBondContact O-N 3.43Å; A257-Q259 VanDerWaalsContact C-N 3.26Å; A257-Q259 PolarHBondContact O-N 3.25Å; A257-A260 PolarHBondContact O-N 3.39Å
258A90.6Very high77.1Confident1 Ų151 Ų511%0.00830%0.296CS..Hα-helixtrans-60.1-37.8175.200000112.8L149 M206 I254L149-A258 HydrophobicContact CD2-CB 3.53Å; L149-A258 HydrophobicContact CG-CB 4.48Å; M206-A258 HydrophobicContact CE-CB 3.7Å; I254-A258 WeakPolarHBondContact O-CB 3.3Å; I254-A258 PolarHBondContact O-N 3.48Å
259Q87.6Confident74.4Confident7 Ų750 Ų503%0.03331%0.31CS..THydrogen-bonded Turntrans-89.9-3-179.4-67.6-178.180.500113.3K11 R20 V146 L150 S255 N256 A257 T261K11-Q259 VanDerWaalsContact N-OE1 3.12Å; R20-Q259 PolarHBondContact NH1-O 2.83Å; V146-Q259 HydrophobicContact CG1-CG 3.96Å; L150-Q259 HydrophobicContact CD1-CG 4.22Å; L150-Q259 HydrophobicContact CD2-CG 4.31Å; S255-Q259 WeakPolarHBondContact O-CB 3.44Å; S255-Q259 WeakPolarHBondContact O-CG 3.45Å; S255-Q259 PolarHBondContact O-N 3.42Å; S255-Q259 PolarHBondContact O-NE2 3.36Å; S255-Q259 PolarHBondContact OG-NE2 3.31Å; N256-Q259 CarbonylContact O-C 3.56Å; N256-Q259 PolarHBondContact O-N 3.22Å; A257-Q259 VanDerWaalsContact C-N 3.26Å; A257-Q259 PolarHBondContact O-N 3.25Å; Q259-T261 HydrophobicContact CB-CG2 3.84Å; Q259-T261 PolarHBondContact O-N 3.38Å
260A79.4Confident72Confident34 Ų3454.3 Ų54.328%0.28133%0.33SS..THydrogen-bonded Turntrans47.740.9-172.300000112.6N256 A257N256-A260 PolarHBondContact O-N 3.09Å; A257-A260 PolarHBondContact O-N 3.39Å
261T72Confident69.9Low46 Ų4656.9 Ų56.928%0.28235%0.345SS..  trans-101.81.6178.456.10000112.8K11 N256 Q259K11-T261 HydrophobicContact CB-CG2 3.56Å; K11-T261 HydrophobicContact CD-CG2 3.78Å; K11-T261 HydrophobicContact CG-CG2 4.34Å; N256-T261 PolarHBondContact O-N 2.84Å; Q259-T261 HydrophobicContact CB-CG2 3.84Å; Q259-T261 PolarHBondContact O-N 3.38Å
262S64Low68.6Low18 Ų1858.4 Ų58.413%0.12636%0.361CS..SBendtrans-57131.5173.6-560000108.2E205 T264E205-S262 WeakPolarHBondContact OE1-CB 3.48Å; E205-S262 PolarHBondContact OE1-OG 3.43Å; E205-S262 WeakPolarHBondContact OE2-CB 3.17Å; E205-S262 PolarHBondContact OE2-OG 2.96Å; S262-T264 PolarHBondContact O-N 3.08Å
263P55.8Low67.6Low91 Ų9158.6 Ų58.659%0.59136%0.355SS*.PPolyproline II helixtrans-54.6121.1169.1-14.426.1000106.5D265 A267P263-D265 PolarHBondContact O-N 3.09Å; P263-A267 HydrophobicContact CB-CB 4.48Å
264T52.6Low67.1Low88 Ų8857.5 Ų57.554%0.5434%0.344SS..PPolyproline II helixtrans-53.1131.1166.540.60000106.8S262 E266 A267S262-T264 PolarHBondContact O-N 3.08Å; T264-E266 PolarHBondContact O-N 3.39Å; T264-A267 PolarHBondContact O-N 2.98Å
265D50.2Low66.8Low48 Ų4864.4 Ų64.426%0.25738%0.376SS..G310 helixtrans-52.3-13.5-173.2-91.3-37.2000113.6H201 P263 A267 K268 K446H201-D265 IonicContact CE1-OD2 2.71Å; P263-D265 PolarHBondContact O-N 3.09Å; D265-A267 PolarHBondContact O-N 2.92Å; D265-K268 PolarHBondContact O-N 2.89Å; D265-K446 IonicContact OD2-NZ 3.28Å; D265-K446 PolarHBondContact OD2-NZ 3.22Å
266E44.7Very low66.6Low180 Ų18063.9 Ų63.984%0.84137%0.371SS*.G310 helixtrans-49.4-28.7167.6-63.3-166.2151.800114.2T264T264-E266 PolarHBondContact O-N 3.39Å
267A38.1Very low66.5Low83 Ų8361.3 Ų61.369%0.68636%0.358SS*.G310 helixtrans-78.2-19.9179.300000114.2P263 T264 D265 G269P263-A267 HydrophobicContact CB-CB 4.48Å; T264-A267 PolarHBondContact O-N 2.98Å; D265-A267 PolarHBondContact O-N 2.92Å; A267-G269 PolarHBondContact O-N 3.48Å
268K42Very low66.5Low141 Ų14163.2 Ų63.261%0.61337%0.373SS*.SBendtrans-96.883.8174-73179.7-178.21710108.1D265 H270D265-K268 PolarHBondContact O-N 2.89Å; K268-H270 PolarHBondContact O-N 3Å
269G39.7Very low66.5Low68 Ų6863.2 Ų63.270%0.70137%0.373SS*.THydrogen-bonded Turntrans-61.226.4-174.900000118.3A267A267-G269 PolarHBondContact O-N 3.48Å
270H43.9Very low66.8Low181 Ų18163 Ų6384%0.83837%0.373SS*.THydrogen-bonded Turntrans-140.232.4-177.5-72.3-39.6000115.6K268K268-H270 PolarHBondContact O-N 3Å
271T51.2Low67.3Low58 Ų5863.5 Ų63.536%0.35637%0.371SS..  trans-117.940.4178.760.10000113.8
272G70.1Confident68.2Low33 Ų3365 Ų6534%0.3437%0.374SS..SBendtrans-94.2-169.4176.200000113.9
273I72.4Confident69.6Low48 Ų4864.1 Ų64.125%0.24637%0.368CS..SBendtrans-38.9147.5166.2-67.3171.4000111.4A277 A278 S439I273-A277 HydrophobicContact CG2-CB 3.59Å; I273-A278 HydrophobicContact CG2-CB 4.22Å; I273-S439 WeakPolarHBondContact CG2-O 3.37Å
274G81.9Confident71.3Confident0 Ų061 Ų610%035%0.347CS..  trans-46.8142.6176.800000114.3L276 A277 A278 C436 S437 S439G274-L276 VanDerWaalsContact C-N 3.32Å; G274-L276 PolarHBondContact O-N 3.23Å; G274-A277 PolarHBondContact O-N 3.27Å; G274-A278 VanDerWaalsContact O-CB 3.27Å; G274-A278 WeakPolarHBondContact O-CB 3.31Å; G274-A278 PolarHBondContact O-N 3.43Å; G274-C436 WeakPolarHBondContact CA-O 3.41Å; G274-S437 CarbonylContact C-O 3.51Å; G274-S437 WeakPolarHBondContact CA-O 3.47Å; G274-S439 PolarHBondContact N-O 3.12Å; G274-S439 VanDerWaalsContact N-O 3.09Å
275E88.6Confident73.1Confident145 Ų14561.8 Ų61.868%0.67835%0.348SS*.Hα-helixtrans-57.7-41.9-173.3-68.5168.3-150.400113.1A279 S437 R449E275-A279 VanDerWaalsContact O-CB 3.27Å; E275-A279 WeakPolarHBondContact O-CB 3.23Å; E275-A279 PolarHBondContact O-N 3.41Å; E275-S437 PolarHBondContact N-O 3.48Å; E275-R449 IonicContact OE1-NH2 3.28Å
276L91.1Very high75Confident15 Ų1563.3 Ų63.38%0.07935%0.352CS..Hα-helixtrans-75.1-39.5178.5-171.656.3000111.3G274 A279 L280 I310 M317 L380 S437 I438G274-L276 VanDerWaalsContact C-N 3.32Å; G274-L276 PolarHBondContact O-N 3.23Å; L276-A279 WeakPolarHBondContact O-CB 3.32Å; L276-A279 PolarHBondContact O-N 3.29Å; L276-L280 HydrophobicContact CD1-CD1 4.44Å; L276-L280 HydrophobicContact CG-CD1 4.06Å; L276-L280 WeakPolarHBondContact O-CB 3.4Å; L276-L280 VanDerWaalsContact O-CD1 3.31Å; L276-L280 WeakPolarHBondContact O-CD1 3.43Å; L276-L280 VanDerWaalsContact O-CG 3.3Å; L276-L280 WeakPolarHBondContact O-CG 3.5Å; L276-L280 PolarHBondContact O-N 3.08Å; L276-I310 HydrophobicContact CD1-CB 4.35Å; L276-I310 HydrophobicContact CD1-CG1 4.39Å; L276-I310 HydrophobicContact CD1-CG2 4.1Å; L276-M317 HydrophobicContact CD2-SD 3.96Å; L276-L380 HydrophobicContact CD2-CD1 3.92Å; L276-S437 CarbonylContact C-O 3.21Å; L276-S437 WeakPolarHBondContact CA-O 3.44Å; L276-S437 WeakPolarHBondContact CB-O 3.47Å; L276-S437 PolarHBondContact N-O 2.93Å; L276-I438 HydrophobicContact CD2-CG2 4.08Å
277A90.3Very high77.2Confident3 Ų354.7 Ų54.73%0.02531%0.312CS..Hα-helixtrans-60.8-46172.900000111.9I273 G274 A279 L280 N281 S437I273-A277 HydrophobicContact CG2-CB 3.59Å; G274-A277 PolarHBondContact O-N 3.27Å; A277-A279 VanDerWaalsContact C-N 3.31Å; A277-A279 PolarHBondContact O-N 3.1Å; A277-L280 PolarHBondContact O-N 3.49Å; A277-N281 WeakPolarHBondContact O-CB 3.46Å; A277-N281 PolarHBondContact O-N 2.9Å; A277-N281 PolarHBondContact O-ND2 3.35Å; A277-N281 PolarHBondContact O-OD1 3.22Å; A277-S437 PolarHBondContact N-O 2.85Å
278A90.2Very high79.6Confident39 Ų3955.4 Ų55.432%0.32230%0.303SS..Hα-helixtrans-61.1-41.5174.600000110.8I273 G274 N281 E282I273-A278 HydrophobicContact CG2-CB 4.22Å; G274-A278 VanDerWaalsContact O-CB 3.27Å; G274-A278 WeakPolarHBondContact O-CB 3.31Å; G274-A278 PolarHBondContact O-N 3.43Å; A278-N281 PolarHBondContact O-N 3.36Å; A278-E282 VanDerWaalsContact O-CB 3.26Å; A278-E282 WeakPolarHBondContact O-CB 3.27Å; A278-E282 PolarHBondContact O-N 2.82Å
279A91.7Very high81.7Confident1 Ų149.7 Ų49.71%0.00828%0.279CS..Hα-helixtrans-59.9-49.5175.600000113.3E275 L276 A277 N281 E282 F283 R306 I310E275-A279 VanDerWaalsContact O-CB 3.27Å; E275-A279 WeakPolarHBondContact O-CB 3.23Å; E275-A279 PolarHBondContact O-N 3.41Å; L276-A279 WeakPolarHBondContact O-CB 3.32Å; L276-A279 PolarHBondContact O-N 3.29Å; A277-A279 VanDerWaalsContact C-N 3.31Å; A277-A279 PolarHBondContact O-N 3.1Å; A279-N281 VanDerWaalsContact C-N 3.35Å; A279-E282 PolarHBondContact O-N 3.24Å; A279-F283 VanDerWaalsContact O-CB 3.3Å; A279-F283 WeakPolarHBondContact O-CB 3.34Å; A279-F283 PolarHBondContact O-N 3.47Å; A279-R306 VanDerWaalsContact CA-NH1 3.3Å; A279-I310 HydrophobicContact CB-CD1 4.35Å; A279-I310 HydrophobicContact CB-CG1 3.8Å
280L92.4Very high83.7Confident4 Ų450.2 Ų50.22%0.02127%0.266CS..Hα-helixtrans-64.7-40.2178.2-71.2154.8000111.2L276 A277 F283 D284 I310 T373 R377 L380L276-L280 HydrophobicContact CD1-CD1 4.44Å; L276-L280 HydrophobicContact CG-CD1 4.06Å; L276-L280 WeakPolarHBondContact O-CB 3.4Å; L276-L280 VanDerWaalsContact O-CD1 3.31Å; L276-L280 WeakPolarHBondContact O-CD1 3.43Å; L276-L280 VanDerWaalsContact O-CG 3.3Å; L276-L280 WeakPolarHBondContact O-CG 3.5Å; L276-L280 PolarHBondContact O-N 3.08Å; A277-L280 PolarHBondContact O-N 3.49Å; L280-F283 PolarHBondContact O-N 2.93Å; L280-D284 PolarHBondContact O-N 3.26Å; L280-I310 HydrophobicContact CD2-CD1 4.11Å; L280-I310 HydrophobicContact CD2-CG1 4.47Å; L280-I310 HydrophobicContact CD2-CG2 3.58Å; L280-I310 HydrophobicContact CG-CD1 4.26Å; L280-I310 HydrophobicContact CG-CG1 4.39Å; L280-I310 HydrophobicContact CG-CG2 4.07Å; L280-T373 HydrophobicContact CD2-CG2 3.55Å; L280-R377 VanDerWaalsContact CB-CZ 3.44Å; L280-R377 VanDerWaalsContact CB-NH2 3.34Å; L280-R377 HydrophobicContact CD1-CG 3.61Å; L280-R377 HydrophobicContact CD2-CG 4.29Å; L280-R377 HydrophobicContact CG-CG 4.41Å; L280-R377 PolarHBondContact O-NH2 3.45Å; L280-R377 VanDerWaalsContact O-NH2 3.14Å; L280-L380 HydrophobicContact CD1-CD1 4.48Å
281N90.4Very high85.5Confident44 Ų4441.9 Ų41.924%0.23523%0.227CC..Hα-helixtrans-66.5-41.7176.8-68.3-16.8000111.6A277 A278 A279 F283 N285 R377 N440A277-N281 WeakPolarHBondContact O-CB 3.46Å; A277-N281 PolarHBondContact O-N 2.9Å; A277-N281 PolarHBondContact O-ND2 3.35Å; A277-N281 PolarHBondContact O-OD1 3.22Å; A278-N281 PolarHBondContact O-N 3.36Å; A279-N281 VanDerWaalsContact C-N 3.35Å; N281-F283 VanDerWaalsContact C-N 3.32Å; N281-N285 WeakPolarHBondContact O-CB 3.38Å; N281-N285 PolarHBondContact O-N 3.25Å; N281-N285 VanDerWaalsContact O-N 3.07Å; N281-N285 PolarHBondContact O-ND2 3.18Å; N281-R377 PolarHBondContact OD1-NH2 2.95Å; N281-N440 PolarHBondContact ND2-OD1 3.47Å
282E91.1Very high87Confident76 Ų7643.7 Ų43.736%0.35523%0.233SC..Hα-helixtrans-62.4-43.3174.7-171.7-167.617300110.6A278 A279 N285 K286 R306A278-E282 VanDerWaalsContact O-CB 3.26Å; A278-E282 WeakPolarHBondContact O-CB 3.27Å; A278-E282 PolarHBondContact O-N 2.82Å; A279-E282 PolarHBondContact O-N 3.24Å; E282-N285 PolarHBondContact O-N 2.93Å; E282-K286 HydrophobicContact CG-CD 4.07Å; E282-K286 HydrophobicContact CG-CG 4.44Å; E282-K286 WeakPolarHBondContact O-CB 3.33Å; E282-K286 WeakPolarHBondContact O-CG 3.44Å; E282-K286 PolarHBondContact O-N 3.37Å; E282-K286 WeakPolarHBondContact OE1-CE 3.31Å; E282-K286 IonicContact OE1-NZ 2.65Å; E282-K286 PolarHBondContact OE1-NZ 3.27Å; E282-R306 IonicContact OE2-CZ 2.78Å; E282-R306 IonicContact OE2-NH1 3.23Å; E282-R306 PolarHBondContact OE2-NH1 2.84Å
283F94Very high87.6Confident1 Ų146 Ų460%0.00424%0.24CC..Hα-helixtrans-62.1-49177.5-178.1-109.2000112A279 L280 N281 N285 K286 I287 L303 R306 L307 I310 V338 L342 M369 T373A279-F283 VanDerWaalsContact O-CB 3.3Å; A279-F283 WeakPolarHBondContact O-CB 3.34Å; A279-F283 PolarHBondContact O-N 3.47Å; L280-F283 PolarHBondContact O-N 2.93Å; N281-F283 VanDerWaalsContact C-N 3.32Å; F283-N285 PolarHBondContact O-N 3.09Å; F283-K286 PolarHBondContact O-N 3.49Å; F283-I287 HydrophobicContact CE1-CG2 4.36Å; F283-I287 HydrophobicContact CE2-CG2 4.26Å; F283-I287 HydrophobicContact CZ-CG2 4.17Å; F283-I287 WeakPolarHBondContact O-CG2 3.34Å; F283-I287 PolarHBondContact O-N 2.9Å; F283-L303 HydrophobicContact CD2-CD2 4.37Å; F283-L303 HydrophobicContact CE2-CD2 4.27Å; F283-R306 HydrophobicContact CB-CG 4Å; F283-R306 HydrophobicContact CD2-CB 4.29Å; F283-R306 HydrophobicContact CD2-CG 3.94Å; F283-R306 HydrophobicContact CG-CG 4.41Å; F283-L307 HydrophobicContact CE1-CD1 4.33Å; F283-L307 HydrophobicContact CE2-CB 3.86Å; F283-L307 HydrophobicContact CZ-CB 4.07Å; F283-L307 HydrophobicContact CZ-CD1 4.08Å; F283-L307 HydrophobicContact CZ-CD2 4.38Å; F283-L307 HydrophobicContact CZ-CG 4.4Å; F283-I310 HydrophobicContact CB-CD1 3.7Å; F283-I310 HydrophobicContact CD1-CD1 4.3Å; F283-I310 HydrophobicContact CG-CD1 3.96Å; F283-V338 HydrophobicContact CE1-CG1 4.28Å; F283-L342 HydrophobicContact CE2-CD2 4.46Å; F283-L342 HydrophobicContact CZ-CD1 4.42Å; F283-L342 HydrophobicContact CZ-CD2 4.4Å; F283-M369 HydrophobicContact CD1-CE 4.44Å; F283-M369 HydrophobicContact CE1-CE 3.19Å; F283-M369 HydrophobicContact CZ-CE 3.37Å; F283-T373 HydrophobicContact CD1-CG2 4.25Å
284D91.3Very high88.2Confident26 Ų2644.4 Ų44.414%0.13923%0.232CC..Hα-helixtrans-60.4-31.8175.9-76.6-23.4000113.1L280 I287 T373 R377L280-D284 PolarHBondContact O-N 3.26Å; D284-I287 WeakPolarHBondContact O-CG1 3.31Å; D284-T373 VanDerWaalsContact OD1-CB 3.26Å; D284-T373 WeakPolarHBondContact OD1-CB 3.28Å; D284-T373 WeakPolarHBondContact OD1-CG2 3.43Å; D284-T373 PolarHBondContact OD1-OG1 3.45Å; D284-T373 VanDerWaalsContact OD1-OG1 3.11Å; D284-R377 IonicContact OD2-CZ 3.91Å; D284-R377 IonicContact OD2-NH1 3.35Å; D284-R377 PolarHBondContact OD2-NH1 3.45Å; D284-R377 IonicContact OD2-NH2 3.98Å; D284-R377 PolarHBondContact OD2-NH2 2.74Å
285N90.5Very high88.4Confident104 Ų10447 Ų4756%0.55625%0.25SC*.Hα-helixtrans-75.2-38.3173.4-74.1-54.3000112N281 E282 F283 I287 I288N281-N285 WeakPolarHBondContact O-CB 3.38Å; N281-N285 PolarHBondContact O-N 3.25Å; N281-N285 VanDerWaalsContact O-N 3.07Å; N281-N285 PolarHBondContact O-ND2 3.18Å; E282-N285 PolarHBondContact O-N 2.93Å; F283-N285 PolarHBondContact O-N 3.09Å; N285-I287 VanDerWaalsContact C-N 3.35Å; N285-I288 PolarHBondContact O-N 3.27Å
286K90.5Very high88.3Confident79 Ų7943.1 Ų43.134%0.34323%0.232SC..Hα-helixtrans-70.6-26.7-178.7-82.2179.5166174.50113.4E282 F283 I288 L289 L303E282-K286 HydrophobicContact CG-CD 4.07Å; E282-K286 HydrophobicContact CG-CG 4.44Å; E282-K286 WeakPolarHBondContact O-CB 3.33Å; E282-K286 WeakPolarHBondContact O-CG 3.44Å; E282-K286 PolarHBondContact O-N 3.37Å; E282-K286 WeakPolarHBondContact OE1-CE 3.31Å; E282-K286 IonicContact OE1-NZ 2.65Å; E282-K286 PolarHBondContact OE1-NZ 3.27Å; F283-K286 PolarHBondContact O-N 3.49Å; K286-I288 PolarHBondContact O-N 3.28Å; K286-L289 VanDerWaalsContact O-CD2 3.24Å; K286-L289 WeakPolarHBondContact O-CD2 3.36Å; K286-L289 WeakPolarHBondContact O-CG 3.34Å; K286-L303 HydrophobicContact CB-CD2 3.8Å
287I90.6Very high88.1Confident0 Ų046.6 Ų46.60%026%0.263CS..THydrogen-bonded Turntrans-72.1-17.8176.160.7169000112.8F283 D284 N285 L289 L303 L345 Y349 M369F283-I287 HydrophobicContact CE1-CG2 4.36Å; F283-I287 HydrophobicContact CE2-CG2 4.26Å; F283-I287 HydrophobicContact CZ-CG2 4.17Å; F283-I287 WeakPolarHBondContact O-CG2 3.34Å; F283-I287 PolarHBondContact O-N 2.9Å; D284-I287 WeakPolarHBondContact O-CG1 3.31Å; N285-I287 VanDerWaalsContact C-N 3.35Å; I287-L289 PolarHBondContact O-N 3.16Å; I287-L289 VanDerWaalsContact O-N 3.11Å; I287-L303 HydrophobicContact CG2-CD2 4.06Å; I287-L345 HydrophobicContact CB-CD2 3.88Å; I287-L345 HydrophobicContact CG2-CD2 4.14Å; I287-Y349 PolarHBondContact O-OH 2.95Å; I287-M369 HydrophobicContact CD1-CB 4.11Å; I287-M369 HydrophobicContact CD1-CG 3.62Å; I287-M369 HydrophobicContact CG2-CG 4.39Å
288I87.3Confident88Confident98 Ų9855 Ų5550%0.50329%0.294SS..  trans-84.886.2178.5-54.2174.6000109.3N285 K286N285-I288 PolarHBondContact O-N 3.27Å; K286-I288 PolarHBondContact O-N 3.28Å
289L86.2Confident87.9Confident21 Ų2154.8 Ų54.811%0.1129%0.286CS..  trans-103.5153.6-180-55.3174.7000112.1K286 I287 P291 F294 F299 Y349K286-L289 VanDerWaalsContact O-CD2 3.24Å; K286-L289 WeakPolarHBondContact O-CD2 3.36Å; K286-L289 WeakPolarHBondContact O-CG 3.34Å; I287-L289 PolarHBondContact O-N 3.16Å; I287-L289 VanDerWaalsContact O-N 3.11Å; L289-P291 WeakPolarHBondContact O-CD 3.09Å; L289-F294 HydrophobicContact CD1-CD2 3.7Å; L289-F294 HydrophobicContact CD1-CE2 3.94Å; L289-F299 HydrophobicContact CD1-CB 4.02Å; L289-F299 HydrophobicContact CD1-CD1 3.91Å; L289-F299 HydrophobicContact CD1-CD2 4.1Å; L289-F299 HydrophobicContact CD1-CE1 4.4Å; L289-F299 HydrophobicContact CD1-CG 3.75Å; L289-F299 HydrophobicContact CD2-CD1 3.79Å; L289-F299 HydrophobicContact CD2-CE1 3.63Å; L289-F299 HydrophobicContact CD2-CG 4.44Å; L289-F299 HydrophobicContact CD2-CZ 4.15Å; L289-Y349 HydrophobicContact CB-CE1 3.83Å; L289-Y349 HydrophobicContact CB-CE2 4.37Å; L289-Y349 HydrophobicContact CD1-CE2 4.5Å; L289-Y349 PolarHBondContact N-OH 3.3Å; L289-Y349 WeakPolarHBondContact O-CE1 3Å; L289-Y349 PolarHBondContact O-OH 3.16Å; L289-Y349 VanDerWaalsContact O-OH 3.05Å
290D83.2Confident87.9Confident79 Ų7957.9 Ų57.942%0.42230%0.297SS..  trans-81.4117.5167.2175.58.7000109.7M292 T293 F294D290-M292 PolarHBondContact O-N 2.95Å; D290-M292 VanDerWaalsContact O-N 3.1Å; D290-M292 WeakPolarHBondContact OD1-CB 3.43Å; D290-M292 PolarHBondContact OD1-N 3.13Å; D290-T293 HydrophobicContact CB-CG2 4.48Å; D290-T293 PolarHBondContact O-N 3.36Å; D290-T293 PolarHBondContact O-OG1 3.3Å; D290-T293 VanDerWaalsContact O-OG1 3.08Å; D290-F294 PolarHBondContact O-N 2.92Å; D290-F294 VanDerWaalsContact O-N 3.15Å
291P81.5Confident88Confident5 Ų561.2 Ų61.23%0.03232%0.319CS..THydrogen-bonded Turntrans-55.5-25.7178.5-23.533.2000114.7L289 T293 Y349 N352 G354 K358 L362L289-P291 WeakPolarHBondContact O-CD 3.09Å; P291-T293 VanDerWaalsContact C-N 3.28Å; P291-T293 PolarHBondContact O-N 3.33Å; P291-Y349 HydrophobicContact CG-CE1 4.25Å; P291-N352 HydrophobicContact CB-CB 4.33Å; P291-G354 PolarHBondContact O-N 3.17Å; P291-K358 HydrophobicContact CG-CG 3.94Å; P291-L362 HydrophobicContact CG-CD2 3.71Å
292M81.6Confident88.1Confident96 Ų9661 Ų6147%0.47332%0.321SS..THydrogen-bonded Turntrans-70.5-26.1176.8-68.6-72.2-78.800112.8D290 G354 R355 K356D290-M292 PolarHBondContact O-N 2.95Å; D290-M292 VanDerWaalsContact O-N 3.1Å; D290-M292 WeakPolarHBondContact OD1-CB 3.43Å; D290-M292 PolarHBondContact OD1-N 3.13Å; M292-G354 VanDerWaalsContact SD-O 3.37Å; M292-R355 WeakPolarHBondContact CG-O 3.25Å; M292-R355 VanDerWaalsContact SD-O 3.37Å; M292-K356 HydrophobicContact CE-CG 4.17Å; M292-K356 HydrophobicContact SD-CG 4.22Å
293T82.7Confident88.3Confident81 Ų8157.5 Ų57.550%0.49731%0.305SS..THydrogen-bonded Turntrans-108-1.4-176.767.60000113.1D290 P291 S295D290-T293 HydrophobicContact CB-CG2 4.48Å; D290-T293 PolarHBondContact O-N 3.36Å; D290-T293 PolarHBondContact O-OG1 3.3Å; D290-T293 VanDerWaalsContact O-OG1 3.08Å; P291-T293 VanDerWaalsContact C-N 3.28Å; P291-T293 PolarHBondContact O-N 3.33Å; T293-S295 PolarHBondContact O-N 2.82Å
294F84.9Confident88.4Confident15 Ų1560.4 Ų60.47%0.06632%0.319CS..  trans-63.3130.1-177.9-178.7-101.5000111.2L289 D290 E296 F299 L346 Y349 M350L289-F294 HydrophobicContact CD1-CD2 3.7Å; L289-F294 HydrophobicContact CD1-CE2 3.94Å; D290-F294 PolarHBondContact O-N 2.92Å; D290-F294 VanDerWaalsContact O-N 3.15Å; F294-E296 HydrophobicContact CE1-CB 4.15Å; F294-E296 HydrophobicContact CZ-CB 4.32Å; F294-F299 AromaticContact CD2-CD2 3.94Å; F294-F299 HydrophobicContact CD2-CD2 3.94Å; F294-F299 HydrophobicContact CE2-CB 4.22Å; F294-F299 HydrophobicContact CE2-CD2 4.31Å; F294-L346 HydrophobicContact CE2-CD2 4.16Å; F294-L346 HydrophobicContact CZ-CD2 4.03Å; F294-Y349 HydrophobicContact CB-CD1 4.43Å; F294-Y349 HydrophobicContact CD2-CD1 4.09Å; F294-Y349 AromaticContact CD2-CG 3.93Å; F294-Y349 HydrophobicContact CD2-CG 3.93Å; F294-Y349 HydrophobicContact CE2-CD2 4.38Å; F294-Y349 HydrophobicContact CE2-CG 4.03Å; F294-Y349 HydrophobicContact CG-CD1 4.22Å; F294-Y349 HydrophobicContact CG-CG 4.28Å; F294-Y349 HydrophobicContact CZ-CG 4.45Å; F294-M350 HydrophobicContact CE1-CG 3.9Å
295S85.8Confident88.6Confident54 Ų5466.1 Ų66.138%0.37834%0.344SS..  trans-137113.7171.6173.10000108.1T293 A297 R298 F299T293-S295 PolarHBondContact O-N 2.82Å; S295-A297 VanDerWaalsContact C-N 3.33Å; S295-A297 PolarHBondContact O-N 2.99Å; S295-R298 PolarHBondContact O-N 2.86Å; S295-F299 VanDerWaalsContact O-CD2 3.27Å; S295-F299 WeakPolarHBondContact O-CD2 3.12Å; S295-F299 PolarHBondContact O-N 3.47Å
296E86.3Confident88.8Confident65 Ų6563.5 Ų63.530%0.30433%0.326SS..Hα-helixtrans-53.7-49.5-178.5-172.3-167.6165.800111.7F294 R298 F299 R300 M350F294-E296 HydrophobicContact CE1-CB 4.15Å; F294-E296 HydrophobicContact CZ-CB 4.32Å; E296-R298 PolarHBondContact O-N 3Å; E296-R298 VanDerWaalsContact O-N 3.08Å; E296-F299 PolarHBondContact O-N 3.2Å; E296-R300 HydrophobicContact CG-CB 4.24Å; E296-R300 WeakPolarHBondContact O-CB 3.26Å; E296-R300 PolarHBondContact O-N 2.9Å; E296-R300 IonicContact OE1-CZ 2.66Å; E296-R300 IonicContact OE1-NH1 2.67Å; E296-R300 PolarHBondContact OE1-NH1 3.41Å; E296-M350 HydrophobicContact CG-SD 4.32Å; E296-M350 WeakPolarHBondContact OE2-CE 3.36Å
297A88.3Confident89Confident88 Ų8859.9 Ų59.973%0.72731%0.311SS*.Hα-helixtrans-58.6-25.3179.400000113.7S295S295-A297 VanDerWaalsContact C-N 3.33Å; S295-A297 PolarHBondContact O-N 2.99Å
298R87.5Confident89.3Confident180 Ų18064 Ų6468%0.67933%0.33SS*.Hα-helixtrans-88.7-46.7179-174.7-177.9178.3-169.5-0.7112.4S295 E296S295-R298 PolarHBondContact O-N 2.86Å; E296-R298 PolarHBondContact O-N 3Å; E296-R298 VanDerWaalsContact O-N 3.08Å
299F88.7Confident89.6Confident33 Ų3362.2 Ų62.215%0.14533%0.326CS..Hα-helixtrans-90.5-37-169.9-67.4-73.6000113.3L289 F294 S295 E296 S302 L303L289-F299 HydrophobicContact CD1-CB 4.02Å; L289-F299 HydrophobicContact CD1-CD1 3.91Å; L289-F299 HydrophobicContact CD1-CD2 4.1Å; L289-F299 HydrophobicContact CD1-CE1 4.4Å; L289-F299 HydrophobicContact CD1-CG 3.75Å; L289-F299 HydrophobicContact CD2-CD1 3.79Å; L289-F299 HydrophobicContact CD2-CE1 3.63Å; L289-F299 HydrophobicContact CD2-CG 4.44Å; L289-F299 HydrophobicContact CD2-CZ 4.15Å; F294-F299 AromaticContact CD2-CD2 3.94Å; F294-F299 HydrophobicContact CD2-CD2 3.94Å; F294-F299 HydrophobicContact CE2-CB 4.22Å; F294-F299 HydrophobicContact CE2-CD2 4.31Å; S295-F299 VanDerWaalsContact O-CD2 3.27Å; S295-F299 WeakPolarHBondContact O-CD2 3.12Å; S295-F299 PolarHBondContact O-N 3.47Å; E296-F299 PolarHBondContact O-N 3.2Å; F299-S302 PolarHBondContact O-N 3.45Å; F299-S302 PolarHBondContact O-OG 2.83Å; F299-L303 HydrophobicContact CB-CD1 4.38Å; F299-L303 WeakPolarHBondContact O-CG 3.33Å; F299-L303 PolarHBondContact O-N 3.45Å
300R92Very high90.1Very high66 Ų6661.2 Ų61.225%0.24932%0.321CS..Hα-helixtrans-56.9-51.2-174.7-179175.1-151.3153.36.2112.9E296 S302 L303 E304 L346E296-R300 HydrophobicContact CG-CB 4.24Å; E296-R300 WeakPolarHBondContact O-CB 3.26Å; E296-R300 PolarHBondContact O-N 2.9Å; E296-R300 IonicContact OE1-CZ 2.66Å; E296-R300 IonicContact OE1-NH1 2.67Å; E296-R300 PolarHBondContact OE1-NH1 3.41Å; R300-S302 VanDerWaalsContact C-N 3.29Å; R300-S302 PolarHBondContact O-N 3.4Å; R300-L303 PolarHBondContact O-N 3.48Å; R300-E304 HydrophobicContact CG-CG 4.21Å; R300-E304 WeakPolarHBondContact CG-OE1 3.26Å; R300-E304 IonicContact CZ-OE1 2.85Å; R300-E304 IonicContact NE-OE1 3.02Å; R300-E304 PolarHBondContact NE-OE1 3.33Å; R300-E304 WeakPolarHBondContact O-CB 3.45Å; R300-E304 WeakPolarHBondContact O-CG 3.39Å; R300-E304 PolarHBondContact O-N 3.05Å; R300-L346 HydrophobicContact CB-CD1 4.31Å; R300-L346 HydrophobicContact CB-CD2 4.48Å; R300-L346 HydrophobicContact CG-CD1 3.79Å
301P93.6Very high90.7Very high74 Ų7458 Ų5848%0.48130%0.304SS..Hα-helixtrans-58.7-41.5179.6-23.434.5000112.5E305P301-E305 WeakPolarHBondContact O-CB 3.3Å; P301-E305 PolarHBondContact O-N 3.06Å
302S93.2Very high91.3Very high40 Ų4061.2 Ų61.228%0.2833%0.327SS..Hα-helixtrans-70.3-32.7-178.272.20000113.9F299 R300 R306F299-S302 PolarHBondContact O-N 3.45Å; F299-S302 PolarHBondContact O-OG 2.83Å; R300-S302 VanDerWaalsContact C-N 3.29Å; R300-S302 PolarHBondContact O-N 3.4Å; S302-R306 VanDerWaalsContact O-CB 3.31Å; S302-R306 WeakPolarHBondContact O-CB 3.47Å; S302-R306 PolarHBondContact O-N 3.46Å
303L94.5Very high91.8Very high3 Ų357.7 Ų57.72%0.01632%0.315CS..Hα-helixtrans-76.7-43.4177.2-72.8171.9000110.8F283 K286 I287 F299 R300 R306 L307 L342 L346F283-L303 HydrophobicContact CD2-CD2 4.37Å; F283-L303 HydrophobicContact CE2-CD2 4.27Å; K286-L303 HydrophobicContact CB-CD2 3.8Å; I287-L303 HydrophobicContact CG2-CD2 4.06Å; F299-L303 HydrophobicContact CB-CD1 4.38Å; F299-L303 WeakPolarHBondContact O-CG 3.33Å; F299-L303 PolarHBondContact O-N 3.45Å; R300-L303 PolarHBondContact O-N 3.48Å; L303-R306 PolarHBondContact O-N 3.19Å; L303-L307 VanDerWaalsContact O-CB 3.31Å; L303-L307 WeakPolarHBondContact O-CB 3.4Å; L303-L307 PolarHBondContact O-N 3.46Å; L303-L342 HydrophobicContact CB-CD1 4.23Å; L303-L342 HydrophobicContact CB-CD2 4.33Å; L303-L342 HydrophobicContact CD1-CD1 4.27Å; L303-L346 HydrophobicContact CD1-CD2 4.13Å
304E95.8Very high92.4Very high62 Ų6253.9 Ų53.929%0.2929%0.291SS..Hα-helixtrans-64.3-44.8176.6-71.3176.7169.400111R300 R306 L307 E308 L342 Q343R300-E304 HydrophobicContact CG-CG 4.21Å; R300-E304 WeakPolarHBondContact CG-OE1 3.26Å; R300-E304 IonicContact CZ-OE1 2.85Å; R300-E304 IonicContact NE-OE1 3.02Å; R300-E304 PolarHBondContact NE-OE1 3.33Å; R300-E304 WeakPolarHBondContact O-CB 3.45Å; R300-E304 WeakPolarHBondContact O-CG 3.39Å; R300-E304 PolarHBondContact O-N 3.05Å; E304-R306 PolarHBondContact O-N 2.89Å; E304-L307 PolarHBondContact O-N 3.37Å; E304-E308 WeakPolarHBondContact O-CG 3.46Å; E304-E308 PolarHBondContact O-N 3.46Å; E304-L342 HydrophobicContact CG-CD2 4.12Å; E304-Q343 PolarHBondContact OE1-NE2 2.68Å; E304-Q343 VanDerWaalsContact OE1-NE2 3.14Å
305E95Very high92.8Very high145 Ų14555 Ų5568%0.67830%0.304SS*.Hα-helixtrans-59.3-46.1175-178.2-177-170.300112.1P301 L307 E308 S309P301-E305 WeakPolarHBondContact O-CB 3.3Å; P301-E305 PolarHBondContact O-N 3.06Å; E305-L307 VanDerWaalsContact C-N 3.34Å; E305-L307 PolarHBondContact O-N 2.9Å; E305-E308 PolarHBondContact O-N 3.42Å; E305-S309 WeakPolarHBondContact O-CB 3.42Å; E305-S309 PolarHBondContact O-N 3.25Å
306R94.7Very high93.1Very high49 Ų4958.7 Ų58.719%0.18532%0.319CS..Hα-helixtrans-63.6-41.2177.9-178.474.5-89-159.63.2111.3A279 E282 F283 S302 L303 E304 S309 I310A279-R306 VanDerWaalsContact CA-NH1 3.3Å; E282-R306 IonicContact OE2-CZ 2.78Å; E282-R306 IonicContact OE2-NH1 3.23Å; E282-R306 PolarHBondContact OE2-NH1 2.84Å; F283-R306 HydrophobicContact CB-CG 4Å; F283-R306 HydrophobicContact CD2-CB 4.29Å; F283-R306 HydrophobicContact CD2-CG 3.94Å; F283-R306 HydrophobicContact CG-CG 4.41Å; S302-R306 VanDerWaalsContact O-CB 3.31Å; S302-R306 WeakPolarHBondContact O-CB 3.47Å; S302-R306 PolarHBondContact O-N 3.46Å; L303-R306 PolarHBondContact O-N 3.19Å; E304-R306 PolarHBondContact O-N 2.89Å; R306-S309 PolarHBondContact NH2-OG 3.27Å; R306-S309 WeakPolarHBondContact O-CB 3.48Å; R306-S309 PolarHBondContact O-N 3Å; R306-I310 HydrophobicContact CG-CD1 4.44Å; R306-I310 WeakPolarHBondContact O-CG1 3.24Å; R306-I310 PolarHBondContact O-N 2.98Å; R306-I310 VanDerWaalsContact O-N 3.15Å
307L96.3Very high93.4Very high4 Ų455.9 Ų55.92%0.02131%0.306CS..Hα-helixtrans-65.8-46.2177.7177.357.6000111.6F283 L303 E304 E305 S309 I310 I311 V338 R339 L342F283-L307 HydrophobicContact CE1-CD1 4.33Å; F283-L307 HydrophobicContact CE2-CB 3.86Å; F283-L307 HydrophobicContact CZ-CB 4.07Å; F283-L307 HydrophobicContact CZ-CD1 4.08Å; F283-L307 HydrophobicContact CZ-CD2 4.38Å; F283-L307 HydrophobicContact CZ-CG 4.4Å; L303-L307 VanDerWaalsContact O-CB 3.31Å; L303-L307 WeakPolarHBondContact O-CB 3.4Å; L303-L307 PolarHBondContact O-N 3.46Å; E304-L307 PolarHBondContact O-N 3.37Å; E305-L307 VanDerWaalsContact C-N 3.34Å; E305-L307 PolarHBondContact O-N 2.9Å; L307-S309 VanDerWaalsContact C-N 3.26Å; L307-S309 PolarHBondContact O-N 2.91Å; L307-I310 WeakPolarHBondContact O-CA 3.48Å; L307-I310 WeakPolarHBondContact O-CB 3.43Å; L307-I310 PolarHBondContact O-N 3.36Å; L307-I311 HydrophobicContact CD1-CD1 3.85Å; L307-I311 HydrophobicContact CD1-CG1 4.04Å; L307-I311 HydrophobicContact CD2-CD1 4.39Å; L307-I311 HydrophobicContact CG-CD1 3.8Å; L307-I311 HydrophobicContact CG-CG1 4.38Å; L307-I311 WeakPolarHBondContact O-CG1 3.15Å; L307-I311 PolarHBondContact O-N 3.41Å; L307-V338 HydrophobicContact CD1-CB 4.36Å; L307-V338 HydrophobicContact CD1-CG1 3.36Å; L307-V338 HydrophobicContact CD2-CG1 4.2Å; L307-V338 HydrophobicContact CG-CG1 4.45Å; L307-R339 HydrophobicContact CD2-CB 4.5Å; L307-R339 HydrophobicContact CD2-CG 3.98Å; L307-L342 HydrophobicContact CB-CD2 4.29Å; L307-L342 HydrophobicContact CD2-CB 4.16Å; L307-L342 HydrophobicContact CD2-CD2 3.57Å
308E95.7Very high93.5Very high86 Ų8651.8 Ų51.840%0.40227%0.272SS..Hα-helixtrans-64.8-32.4178.2-68.9-54.8144.400112E304 E305 I311 S312 R339E304-E308 WeakPolarHBondContact O-CG 3.46Å; E304-E308 PolarHBondContact O-N 3.46Å; E305-E308 PolarHBondContact O-N 3.42Å; E308-I311 PolarHBondContact O-N 3.3Å; E308-S312 WeakPolarHBondContact O-CB 3.45Å; E308-S312 PolarHBondContact O-N 2.9Å; E308-R339 IonicContact OE1-CZ 3.12Å; E308-R339 IonicContact OE1-NE 2.72Å; E308-R339 PolarHBondContact OE1-NE 2.76Å; E308-R339 IonicContact OE1-NH2 2.66Å; E308-R339 PolarHBondContact OE1-NH2 2.94Å; E308-R339 IonicContact OE2-CZ 3.08Å; E308-R339 IonicContact OE2-NE 3.54Å; E308-R339 IonicContact OE2-NH2 2.9Å; E308-R339 PolarHBondContact OE2-NH2 3.28Å
309S94.5Very high93.7Very high60 Ų6049.2 Ų49.242%0.4227%0.271SS..Hα-helixtrans-61.4-42.4169166.10000112.6E305 R306 L307 G313E305-S309 WeakPolarHBondContact O-CB 3.42Å; E305-S309 PolarHBondContact O-N 3.25Å; R306-S309 PolarHBondContact NH2-OG 3.27Å; R306-S309 WeakPolarHBondContact O-CB 3.48Å; R306-S309 PolarHBondContact O-N 3Å; L307-S309 VanDerWaalsContact C-N 3.26Å; L307-S309 PolarHBondContact O-N 2.91Å; S309-G313 PolarHBondContact O-N 2.83Å
310I95.7Very high93.8Very high1 Ų148.7 Ų48.71%0.00527%0.272CS..Hα-helixtrans-64.8-44.7175.8-70.5162.9000110.5L276 A279 L280 F283 R306 L307 S312 G313 A314 L376L276-I310 HydrophobicContact CD1-CB 4.35Å; L276-I310 HydrophobicContact CD1-CG1 4.39Å; L276-I310 HydrophobicContact CD1-CG2 4.1Å; A279-I310 HydrophobicContact CB-CD1 4.35Å; A279-I310 HydrophobicContact CB-CG1 3.8Å; L280-I310 HydrophobicContact CD2-CD1 4.11Å; L280-I310 HydrophobicContact CD2-CG1 4.47Å; L280-I310 HydrophobicContact CD2-CG2 3.58Å; L280-I310 HydrophobicContact CG-CD1 4.26Å; L280-I310 HydrophobicContact CG-CG1 4.39Å; L280-I310 HydrophobicContact CG-CG2 4.07Å; F283-I310 HydrophobicContact CB-CD1 3.7Å; F283-I310 HydrophobicContact CD1-CD1 4.3Å; F283-I310 HydrophobicContact CG-CD1 3.96Å; R306-I310 HydrophobicContact CG-CD1 4.44Å; R306-I310 WeakPolarHBondContact O-CG1 3.24Å; R306-I310 PolarHBondContact O-N 2.98Å; R306-I310 VanDerWaalsContact O-N 3.15Å; L307-I310 WeakPolarHBondContact O-CA 3.48Å; L307-I310 WeakPolarHBondContact O-CB 3.43Å; L307-I310 PolarHBondContact O-N 3.36Å; I310-S312 VanDerWaalsContact C-N 3.34Å; I310-S312 PolarHBondContact O-N 2.92Å; I310-G313 PolarHBondContact O-N 3Å; I310-A314 PolarHBondContact O-N 3.23Å; I310-L376 HydrophobicContact CG2-CD2 4.08Å
311I95.9Very high93.6Very high11 Ų1151 Ų516%0.05630%0.298CS..Hα-helixtrans-68.2-35.2-178.3-63.7171.9000111.3L307 E308 G313 A314 A315 C335 R339L307-I311 HydrophobicContact CD1-CD1 3.85Å; L307-I311 HydrophobicContact CD1-CG1 4.04Å; L307-I311 HydrophobicContact CD2-CD1 4.39Å; L307-I311 HydrophobicContact CG-CD1 3.8Å; L307-I311 HydrophobicContact CG-CG1 4.38Å; L307-I311 WeakPolarHBondContact O-CG1 3.15Å; L307-I311 PolarHBondContact O-N 3.41Å; E308-I311 PolarHBondContact O-N 3.3Å; I311-G313 VanDerWaalsContact C-N 3.33Å; I311-G313 PolarHBondContact O-N 3.05Å; I311-A314 PolarHBondContact O-N 3.28Å; I311-A315 WeakPolarHBondContact O-CB 3.45Å; I311-A315 PolarHBondContact O-N 3.28Å; I311-C335 HydrophobicContact CD1-CB 4.4Å; I311-C335 HydrophobicContact CG1-CB 4.24Å; I311-C335 HydrophobicContact CG2-CB 4.03Å; I311-R339 HydrophobicContact CD1-CG 3.59Å; I311-R339 VanDerWaalsContact CD1-NE 3.33Å
312S94Very high93.5Very high73 Ų7348.2 Ų48.251%0.5128%0.28SS..Hα-helixtrans-59.7-44.4171-175.40000111.6E308 I310 A314 A315 L316E308-S312 WeakPolarHBondContact O-CB 3.45Å; E308-S312 PolarHBondContact O-N 2.9Å; I310-S312 VanDerWaalsContact C-N 3.34Å; I310-S312 PolarHBondContact O-N 2.92Å; S312-A314 PolarHBondContact O-N 3.35Å; S312-A315 PolarHBondContact O-N 3.21Å; S312-L316 WeakPolarHBondContact O-CG 3.38Å; S312-L316 PolarHBondContact O-N 3.3Å; S312-L316 VanDerWaalsContact O-N 3.16Å
313G93Very high93.4Very high22 Ų2246.4 Ų46.423%0.22727%0.267CS..Hα-helixtrans-60.9-42.717300000113.1S309 I310 I311 M317S309-G313 PolarHBondContact O-N 2.83Å; I310-G313 PolarHBondContact O-N 3Å; I311-G313 VanDerWaalsContact C-N 3.33Å; I311-G313 PolarHBondContact O-N 3.05Å; G313-M317 PolarHBondContact O-N 3.42Å
314A95.2Very high93.2Very high0 Ų048.3 Ų48.30%027%0.274CS..Hα-helixtrans-64.5-38.4175.700000113I310 I311 S312 M317 A318 I331 L376 L380I310-A314 PolarHBondContact O-N 3.23Å; I311-A314 PolarHBondContact O-N 3.28Å; S312-A314 PolarHBondContact O-N 3.35Å; A314-M317 WeakPolarHBondContact O-CB 3.11Å; A314-M317 PolarHBondContact O-N 3.36Å; A314-A318 WeakPolarHBondContact O-CB 3.42Å; A314-A318 PolarHBondContact O-N 2.92Å; A314-I331 HydrophobicContact CB-CG2 4.17Å; A314-L376 HydrophobicContact CB-CD1 4.48Å; A314-L380 HydrophobicContact CB-CD1 4.39Å; A314-L380 HydrophobicContact CB-CD2 3.67Å
315A92.8Very high92.9Very high40 Ų4050.1 Ų50.133%0.33129%0.286SS..Hα-helixtrans-64.9-43179.200000111.6I311 S312 M317 A318 D319I311-A315 WeakPolarHBondContact O-CB 3.45Å; I311-A315 PolarHBondContact O-N 3.28Å; S312-A315 PolarHBondContact O-N 3.21Å; A315-M317 PolarHBondContact O-N 2.96Å; A315-A318 PolarHBondContact O-N 3.37Å; A315-A318 VanDerWaalsContact O-N 3.07Å; A315-D319 WeakPolarHBondContact O-CB 3.4Å; A315-D319 PolarHBondContact O-N 2.74Å
316L91.9Very high92.7Very high131 Ų13146.2 Ų46.269%0.68627%0.27SS*.Hα-helixtrans-58.7-35.8174.9-68.4175.1000112.5S312S312-L316 WeakPolarHBondContact O-CG 3.38Å; S312-L316 PolarHBondContact O-N 3.3Å; S312-L316 VanDerWaalsContact O-N 3.16Å
317M92.2Very high92.6Very high6 Ų644.3 Ų44.33%0.0326%0.263CS..Hα-helixtrans-71.2-42.3174.3-64.1177.656.800111.7L276 G313 A314 A315 S320 T323 L380 A383 V384 L434 I438L276-M317 HydrophobicContact CD2-SD 3.96Å; G313-M317 PolarHBondContact O-N 3.42Å; A314-M317 WeakPolarHBondContact O-CB 3.11Å; A314-M317 PolarHBondContact O-N 3.36Å; A315-M317 PolarHBondContact O-N 2.96Å; M317-S320 WeakPolarHBondContact O-CB 3.28Å; M317-S320 PolarHBondContact O-N 3.45Å; M317-T323 PolarHBondContact O-OG1 3.23Å; M317-L380 HydrophobicContact CE-CB 3.97Å; M317-L380 HydrophobicContact CE-CD2 3.97Å; M317-L380 WeakPolarHBondContact CE-O 3.48Å; M317-L380 HydrophobicContact SD-CB 4.43Å; M317-L380 HydrophobicContact SD-CD2 3.79Å; M317-A383 HydrophobicContact CE-CB 4.15Å; M317-V384 HydrophobicContact CE-CG2 3.39Å; M317-L434 HydrophobicContact CE-CD1 4.05Å; M317-L434 HydrophobicContact CG-CD1 3.58Å; M317-L434 HydrophobicContact SD-CD1 3.73Å; M317-I438 HydrophobicContact CE-CG2 4.47Å; M317-I438 HydrophobicContact SD-CG2 4.43Å
318A92Very high92.4Very high2 Ų247.9 Ų47.92%0.01728%0.276CS..Hα-helixtrans-67-36.3-178.500000112.9A314 A315 S320 R328 I331A314-A318 WeakPolarHBondContact O-CB 3.42Å; A314-A318 PolarHBondContact O-N 2.92Å; A315-A318 PolarHBondContact O-N 3.37Å; A315-A318 VanDerWaalsContact O-N 3.07Å; A318-S320 VanDerWaalsContact C-N 3.28Å; A318-S320 PolarHBondContact O-N 3Å; A318-R328 HydrophobicContact CB-CG 4.03Å; A318-R328 WeakPolarHBondContact O-CG 3.34Å; A318-R328 PolarHBondContact O-NE 3.36Å; A318-R328 VanDerWaalsContact O-NE 3.08Å; A318-I331 HydrophobicContact CB-CB 4.35Å; A318-I331 HydrophobicContact CB-CD1 4.17Å; A318-I331 HydrophobicContact CB-CG2 4.06Å
319D91.1Very high92.3Very high126 Ų12650.6 Ų50.667%0.67429%0.289SS*.THydrogen-bonded Turntrans-80.5-5.9-179-69.8-20.9000113.6A315A315-D319 WeakPolarHBondContact O-CB 3.4Å; A315-D319 PolarHBondContact O-N 2.74Å
320S91Very high92.3Very high21 Ų2152.1 Ų52.115%0.14729%0.285CS..SBendtrans-70.4143177.5-1690000111.9M317 A318 C322 T323 H387M317-S320 WeakPolarHBondContact O-CB 3.28Å; M317-S320 PolarHBondContact O-N 3.45Å; A318-S320 VanDerWaalsContact C-N 3.28Å; A318-S320 PolarHBondContact O-N 3Å; S320-C322 PolarHBondContact O-N 2.86Å; S320-T323 PolarHBondContact O-N 2.9Å; S320-H387 WeakPolarHBondContact CB-CE1 3.42Å; S320-H387 PolarHBondContact OG-CE1 3.49Å
321S88.2Confident92.3Very high116 Ų11652.2 Ų52.281%0.81129%0.285SS*.THydrogen-bonded Turntrans-64.3-19.6178.455.60000114.4T323S321-T323 VanDerWaalsContact C-N 3.35Å
322C90.3Very high92.3Very high14 Ų1455.2 Ų55.210%0.09530%0.304CS..THydrogen-bonded Turntrans-77.6-21.8175.1-64.40000112.5S320 R324 D386 H387 K427S320-C322 PolarHBondContact O-N 2.86Å; C322-R324 PolarHBondContact O-NH1 3.5Å; C322-D386 WeakPolarHBondContact O-CB 3.41Å; C322-H387 HydrophobicContact CB-CB 4.14Å; C322-H387 VanDerWaalsContact CB-CD2 3.41Å; C322-H387 WeakPolarHBondContact CB-CD2 3.24Å; C322-K427 VanDerWaalsContact SG-CE 3.59Å
323T91.1Very high92.3Very high3 Ų354.5 Ų54.52%0.01830%0.303CS..SBendtrans-82.1121-179.4-54.40000110.2M317 S320 S321 R327 R328 I331 A383 H387M317-T323 PolarHBondContact O-OG1 3.23Å; S320-T323 PolarHBondContact O-N 2.9Å; S321-T323 VanDerWaalsContact C-N 3.35Å; T323-R327 HydrophobicContact CG2-CB 4.14Å; T323-R327 HydrophobicContact CG2-CG 4.45Å; T323-R328 PolarHBondContact O-NH2 3.43Å; T323-I331 HydrophobicContact CG2-CD1 4.37Å; T323-A383 HydrophobicContact CG2-CB 4.32Å; T323-H387 PolarHBondContact OG1-NE2 3.43Å
324R90.4Very high92.5Very high42 Ų4254.9 Ų54.916%0.15830%0.298CS..  trans-62.1151.8178.1-60.8-63-174.8-89.6-1.6111.9C322 D326 R327 R328 D386 D390 H516 E519C322-R324 PolarHBondContact O-NH1 3.5Å; R324-D326 VanDerWaalsContact CB-OD1 3.26Å; R324-D326 WeakPolarHBondContact CB-OD1 3.16Å; R324-D326 PolarHBondContact O-N 3Å; R324-R327 PolarHBondContact O-N 3.23Å; R324-R328 PolarHBondContact O-N 3.4Å; R324-D386 PolarHBondContact N-OD2 2.98Å; R324-D390 IonicContact CZ-OD2 3.44Å; R324-D390 IonicContact NH1-OD2 2.75Å; R324-D390 PolarHBondContact NH1-OD2 3.43Å; R324-D390 IonicContact NH2-OD1 3.29Å; R324-D390 PolarHBondContact NH2-OD1 3.16Å; R324-D390 IonicContact NH2-OD2 2.68Å; R324-D390 PolarHBondContact NH2-OD2 3.17Å; R324-H516 PolarHBondContact NH2-CE1 2.66Å; R324-E519 IonicContact CZ-OE2 2.76Å; R324-E519 IonicContact NE-OE1 2.88Å; R324-E519 IonicContact NE-OE2 3.6Å; R324-E519 PolarHBondContact NE-OE2 3.18Å; R324-E519 IonicContact NH2-OE2 3.52Å
325D90.4Very high92.6Very high101 Ų10155.1 Ų55.154%0.5430%0.3SS..Hα-helixtrans-60.8-43.1-175.2-70.7-21.6000112.4R327 R328 E329D325-R327 VanDerWaalsContact C-N 3.31Å; D325-R327 PolarHBondContact O-N 3.34Å; D325-R328 WeakPolarHBondContact O-CB 3.46Å; D325-R328 PolarHBondContact O-N 3.03Å; D325-R328 IonicContact OD1-CZ 2.73Å; D325-R328 IonicContact OD1-NH1 3.28Å; D325-R328 PolarHBondContact OD1-NH1 2.85Å; D325-R328 IonicContact OD1-NH2 2.64Å; D325-R328 PolarHBondContact OD1-NH2 3.34Å; D325-E329 WeakPolarHBondContact O-CG 3.26Å; D325-E329 PolarHBondContact O-N 3.46Å
326D89.5Confident92.8Very high62 Ų6257.3 Ų57.333%0.33231%0.306SS..Hα-helixtrans-63.6-37.7177.675.1-55.1000111.6R324 E329 R330R324-D326 VanDerWaalsContact CB-OD1 3.26Å; R324-D326 WeakPolarHBondContact CB-OD1 3.16Å; R324-D326 PolarHBondContact O-N 3Å; D326-E329 PolarHBondContact O-N 3.46Å; D326-R330 WeakPolarHBondContact O-CG 3.16Å; D326-R330 PolarHBondContact O-N 3.3Å; D326-R330 VanDerWaalsContact O-N 3.1Å; D326-R330 IonicContact OD2-CZ 2.71Å; D326-R330 IonicContact OD2-NE 3.79Å; D326-R330 IonicContact OD2-NH2 3.95Å; D326-R330 PolarHBondContact OD2-NH2 3.18Å
327R92.4Very high93Very high9 Ų952.3 Ų52.33%0.03428%0.284CS..Hα-helixtrans-70.4-38.4176.3-161.1179.9-47.7-61.2-1.6111.6T323 R324 D325 E329 R330 I331 A383 D386T323-R327 HydrophobicContact CG2-CB 4.14Å; T323-R327 HydrophobicContact CG2-CG 4.45Å; R324-R327 PolarHBondContact O-N 3.23Å; D325-R327 VanDerWaalsContact C-N 3.31Å; D325-R327 PolarHBondContact O-N 3.34Å; R327-E329 VanDerWaalsContact C-N 3.32Å; R327-E329 PolarHBondContact O-N 3.05Å; R327-R330 PolarHBondContact O-N 2.98Å; R327-I331 HydrophobicContact CG-CD1 4.43Å; R327-I331 WeakPolarHBondContact O-CG1 3.21Å; R327-I331 PolarHBondContact O-N 2.97Å; R327-A383 VanDerWaalsContact CD-CA 3.42Å; R327-D386 VanDerWaalsContact CD-OD2 3.31Å; R327-D386 WeakPolarHBondContact CD-OD2 3.43Å; R327-D386 IonicContact CZ-OD1 3.15Å; R327-D386 IonicContact CZ-OD2 3.27Å; R327-D386 IonicContact NE-OD1 2.95Å; R327-D386 PolarHBondContact NE-OD1 2.97Å; R327-D386 IonicContact NE-OD2 3.17Å; R327-D386 PolarHBondContact NE-OD2 3.27Å; R327-D386 IonicContact NH2-OD1 3.8Å; R327-D386 PolarHBondContact NH2-OD1 3.48Å; R327-D386 IonicContact NH2-OD2 3.99Å
328R93Very high93.3Very high79 Ų7952.1 Ų52.130%0.29828%0.283SS..Hα-helixtrans-56.7-47.5173-172-174.6-48.3123.315.5110.7A318 T323 R324 D325 R330 I331 V332A318-R328 HydrophobicContact CB-CG 4.03Å; A318-R328 WeakPolarHBondContact O-CG 3.34Å; A318-R328 PolarHBondContact O-NE 3.36Å; A318-R328 VanDerWaalsContact O-NE 3.08Å; T323-R328 PolarHBondContact O-NH2 3.43Å; R324-R328 PolarHBondContact O-N 3.4Å; D325-R328 WeakPolarHBondContact O-CB 3.46Å; D325-R328 PolarHBondContact O-N 3.03Å; D325-R328 IonicContact OD1-CZ 2.73Å; D325-R328 IonicContact OD1-NH1 3.28Å; D325-R328 PolarHBondContact OD1-NH1 2.85Å; D325-R328 IonicContact OD1-NH2 2.64Å; D325-R328 PolarHBondContact OD1-NH2 3.34Å; R328-R330 PolarHBondContact O-N 3.33Å; R328-I331 PolarHBondContact O-N 2.9Å; R328-V332 WeakPolarHBondContact O-CG2 3.38Å; R328-V332 PolarHBondContact O-N 3.39Å
329E93.8Very high93.5Very high144 Ų14455.6 Ų55.667%0.67330%0.296SS*.Hα-helixtrans-60.3-43.5176.8-70.7179-178.400112.2D325 D326 R327 V332 A333D325-E329 WeakPolarHBondContact O-CG 3.26Å; D325-E329 PolarHBondContact O-N 3.46Å; D326-E329 PolarHBondContact O-N 3.46Å; R327-E329 VanDerWaalsContact C-N 3.32Å; R327-E329 PolarHBondContact O-N 3.05Å; E329-V332 PolarHBondContact O-N 3.3Å; E329-A333 WeakPolarHBondContact O-CB 3.31Å; E329-A333 PolarHBondContact O-N 2.94Å
330R94.6Very high93.8Very high92 Ų9254.7 Ų54.735%0.34729%0.288SS..Hα-helixtrans-62.7-42176.1-68.7179-142.6-158.59.7112.7D326 R327 R328 A333 E334 Q379D326-R330 WeakPolarHBondContact O-CG 3.16Å; D326-R330 PolarHBondContact O-N 3.3Å; D326-R330 VanDerWaalsContact O-N 3.1Å; D326-R330 IonicContact OD2-CZ 2.71Å; D326-R330 IonicContact OD2-NE 3.79Å; D326-R330 IonicContact OD2-NH2 3.95Å; D326-R330 PolarHBondContact OD2-NH2 3.18Å; R327-R330 PolarHBondContact O-N 2.98Å; R328-R330 PolarHBondContact O-N 3.33Å; R330-A333 PolarHBondContact O-N 3.5Å; R330-E334 PolarHBondContact O-N 2.98Å; R330-Q379 HydrophobicContact CB-CG 4.33Å
331I94.9Very high94.1Very high2 Ų253.8 Ų53.81%0.0128%0.281CS..Hα-helixtrans-62.5-46.2176.3-68.1165.4000110.3A314 A318 T323 R327 R328 A333 E334 C335 L376 Q379 L380 A383A314-I331 HydrophobicContact CB-CG2 4.17Å; A318-I331 HydrophobicContact CB-CB 4.35Å; A318-I331 HydrophobicContact CB-CD1 4.17Å; A318-I331 HydrophobicContact CB-CG2 4.06Å; T323-I331 HydrophobicContact CG2-CD1 4.37Å; R327-I331 HydrophobicContact CG-CD1 4.43Å; R327-I331 WeakPolarHBondContact O-CG1 3.21Å; R327-I331 PolarHBondContact O-N 2.97Å; R328-I331 PolarHBondContact O-N 2.9Å; I331-A333 VanDerWaalsContact C-N 3.32Å; I331-A333 PolarHBondContact O-N 2.71Å; I331-E334 PolarHBondContact O-N 2.96Å; I331-C335 WeakPolarHBondContact O-CB 3.38Å; I331-C335 PolarHBondContact O-N 3.12Å; I331-C335 PolarHBondContact O-SG 3.3Å; I331-L376 HydrophobicContact CG2-CD1 4.46Å; I331-Q379 HydrophobicContact CG1-CB 3.85Å; I331-L380 HydrophobicContact CG2-CD2 4.33Å; I331-A383 HydrophobicContact CD1-CB 3.85Å
332V95.5Very high94.5Very high74 Ų7448.2 Ų48.245%0.44824%0.243SC..Hα-helixtrans-61.3-42.8178.2172.30000110.8R328 E329 C335 N336R328-V332 WeakPolarHBondContact O-CG2 3.38Å; R328-V332 PolarHBondContact O-N 3.39Å; E329-V332 PolarHBondContact O-N 3.3Å; V332-C335 PolarHBondContact O-N 3.24Å; V332-N336 PolarHBondContact O-N 3.23Å; V332-N336 PolarHBondContact O-ND2 3.35Å
333A95.9Very high94.8Very high58 Ų5850.2 Ų50.248%0.47925%0.251SS..Hα-helixtrans-61-46175.900000112E329 R330 I331 N336 A337E329-A333 WeakPolarHBondContact O-CB 3.31Å; E329-A333 PolarHBondContact O-N 2.94Å; R330-A333 PolarHBondContact O-N 3.5Å; I331-A333 VanDerWaalsContact C-N 3.32Å; I331-A333 PolarHBondContact O-N 2.71Å; A333-N336 PolarHBondContact O-N 3.2Å; A333-A337 WeakPolarHBondContact O-CB 3.39Å; A333-A337 PolarHBondContact O-N 3.34Å
334E96.5Very high95Very high30 Ų3052.4 Ų52.414%0.1426%0.262CS..Hα-helixtrans-69.6-36.9178.2-70.8-58.8165.400112.7R330 I331 N336 A337 V338 K372 D375 L376 Q379R330-E334 PolarHBondContact O-N 2.98Å; I331-E334 PolarHBondContact O-N 2.96Å; E334-N336 VanDerWaalsContact C-N 3.3Å; E334-N336 PolarHBondContact O-N 3.36Å; E334-A337 PolarHBondContact O-N 2.89Å; E334-A337 VanDerWaalsContact O-N 3.14Å; E334-V338 VanDerWaalsContact O-CG2 3.27Å; E334-V338 WeakPolarHBondContact O-CG2 3.46Å; E334-V338 PolarHBondContact O-N 3.48Å; E334-K372 IonicContact OE1-NZ 3.54Å; E334-K372 PolarHBondContact OE1-NZ 3.32Å; E334-K372 VanDerWaalsContact OE1-NZ 3.1Å; E334-K372 WeakPolarHBondContact OE2-CD 3.15Å; E334-K372 IonicContact OE2-NZ 3.43Å; E334-K372 PolarHBondContact OE2-NZ 3.28Å; E334-D375 HydrophobicContact CG-CB 4.31Å; E334-L376 HydrophobicContact CB-CB 4.25Å; E334-L376 HydrophobicContact CB-CD1 4.19Å; E334-Q379 HydrophobicContact CG-CG 4.13Å
335C97.2Very high95.2Very high6 Ų650.5 Ų50.54%0.04126%0.255CS..Hα-helixtrans-56.9-44.6171.4-76.80000111.5I311 I331 V332 V338 R339I311-C335 HydrophobicContact CD1-CB 4.4Å; I311-C335 HydrophobicContact CG1-CB 4.24Å; I311-C335 HydrophobicContact CG2-CB 4.03Å; I331-C335 WeakPolarHBondContact O-CB 3.38Å; I331-C335 PolarHBondContact O-N 3.12Å; I331-C335 PolarHBondContact O-SG 3.3Å; V332-C335 PolarHBondContact O-N 3.24Å; C335-V338 PolarHBondContact O-N 3.27Å; C335-R339 WeakPolarHBondContact O-CG 3.36Å; C335-R339 PolarHBondContact O-N 3.05Å; C335-R339 VanDerWaalsContact O-N 3.1Å
336N96.6Very high95.3Very high85 Ų8545.7 Ų45.746%0.45523%0.23SC..Hα-helixtrans-68.3-36.7175.6-69.9-29.5000112.2V332 A333 E334 R339 Q340V332-N336 PolarHBondContact O-N 3.23Å; V332-N336 PolarHBondContact O-ND2 3.35Å; A333-N336 PolarHBondContact O-N 3.2Å; E334-N336 VanDerWaalsContact C-N 3.3Å; E334-N336 PolarHBondContact O-N 3.36Å; N336-R339 PolarHBondContact O-N 2.8Å; N336-R339 PolarHBondContact OD1-NH1 3.32Å; N336-Q340 PolarHBondContact O-N 2.92Å
337A97.3Very high95.5Very high27 Ų2745.5 Ų45.522%0.22323%0.233CC..Hα-helixtrans-64.9-39.9175.700000112.4A333 E334 Q340 A341 K372A333-A337 WeakPolarHBondContact O-CB 3.39Å; A333-A337 PolarHBondContact O-N 3.34Å; E334-A337 PolarHBondContact O-N 2.89Å; E334-A337 VanDerWaalsContact O-N 3.14Å; A337-Q340 PolarHBondContact O-N 3.19Å; A337-A341 VanDerWaalsContact O-CB 3.28Å; A337-A341 WeakPolarHBondContact O-CB 3.47Å; A337-A341 PolarHBondContact O-N 2.95Å; A337-K372 HydrophobicContact CB-CD 4.04Å; A337-K372 HydrophobicContact CB-CG 4.35Å
338V97.2Very high95.5Very high1 Ų147.4 Ų47.41%0.00624%0.242CC..Hα-helixtrans-66.3-41.3175.2177.90000110.8F283 L307 E334 C335 A341 L342 M369 K372 L376F283-V338 HydrophobicContact CE1-CG1 4.28Å; L307-V338 HydrophobicContact CD1-CB 4.36Å; L307-V338 HydrophobicContact CD1-CG1 3.36Å; L307-V338 HydrophobicContact CD2-CG1 4.2Å; L307-V338 HydrophobicContact CG-CG1 4.45Å; E334-V338 VanDerWaalsContact O-CG2 3.27Å; E334-V338 WeakPolarHBondContact O-CG2 3.46Å; E334-V338 PolarHBondContact O-N 3.48Å; C335-V338 PolarHBondContact O-N 3.27Å; V338-A341 PolarHBondContact O-N 2.85Å; V338-L342 PolarHBondContact O-N 3.31Å; V338-M369 HydrophobicContact CG1-CE 3.52Å; V338-K372 HydrophobicContact CG2-CB 3.92Å; V338-K372 WeakPolarHBondContact CG2-O 3.34Å; V338-L376 HydrophobicContact CG2-CB 4.06Å; V338-L376 HydrophobicContact CG2-CD2 4.11Å
339R97.1Very high95.4Very high75 Ų7543.8 Ų43.828%0.28323%0.229SC..Hα-helixtrans-57.6-50.8172.1-74.2-176.2-178.7111.8-2.1111.4L307 E308 I311 C335 N336 A341 L342 Q343L307-R339 HydrophobicContact CD2-CB 4.5Å; L307-R339 HydrophobicContact CD2-CG 3.98Å; E308-R339 IonicContact OE1-CZ 3.12Å; E308-R339 IonicContact OE1-NE 2.72Å; E308-R339 PolarHBondContact OE1-NE 2.76Å; E308-R339 IonicContact OE1-NH2 2.66Å; E308-R339 PolarHBondContact OE1-NH2 2.94Å; E308-R339 IonicContact OE2-CZ 3.08Å; E308-R339 IonicContact OE2-NE 3.54Å; E308-R339 IonicContact OE2-NH2 2.9Å; E308-R339 PolarHBondContact OE2-NH2 3.28Å; I311-R339 HydrophobicContact CD1-CG 3.59Å; I311-R339 VanDerWaalsContact CD1-NE 3.33Å; C335-R339 WeakPolarHBondContact O-CG 3.36Å; C335-R339 PolarHBondContact O-N 3.05Å; C335-R339 VanDerWaalsContact O-N 3.1Å; N336-R339 PolarHBondContact O-N 2.8Å; N336-R339 PolarHBondContact OD1-NH1 3.32Å; R339-A341 PolarHBondContact O-N 3.19Å; R339-L342 PolarHBondContact O-N 2.98Å; R339-Q343 WeakPolarHBondContact O-CG 3.46Å; R339-Q343 PolarHBondContact O-N 3.49Å; R339-Q343 VanDerWaalsContact O-N 3.13Å
340Q97.4Very high95.1Very high107 Ų10740.7 Ų40.750%0.522%0.215SC..Hα-helixtrans-62.3-43.7179.7-174.959.85300111.7N336 A337 L342 Q343 D344N336-Q340 PolarHBondContact O-N 2.92Å; A337-Q340 PolarHBondContact O-N 3.19Å; Q340-L342 VanDerWaalsContact C-N 3.26Å; Q340-L342 PolarHBondContact O-N 3.46Å; Q340-Q343 PolarHBondContact O-N 3.5Å; Q340-Q343 VanDerWaalsContact O-N 3.12Å; Q340-D344 PolarHBondContact NE2-OD1 2.86Å; Q340-D344 VanDerWaalsContact O-CG 3.26Å; Q340-D344 PolarHBondContact O-N 3.28Å
341A96.8Very high94.8Very high2 Ų241.2 Ų41.22%0.01723%0.225CC..Hα-helixtrans-61.2-35.3177.600000112.2A337 V338 R339 D344 L345 M369 K372A337-A341 VanDerWaalsContact O-CB 3.28Å; A337-A341 WeakPolarHBondContact O-CB 3.47Å; A337-A341 PolarHBondContact O-N 2.95Å; V338-A341 PolarHBondContact O-N 2.85Å; R339-A341 PolarHBondContact O-N 3.19Å; A341-D344 PolarHBondContact O-N 3.44Å; A341-L345 VanDerWaalsContact O-CB 3.27Å; A341-L345 WeakPolarHBondContact O-CB 3.35Å; A341-L345 PolarHBondContact O-N 3.04Å; A341-M369 HydrophobicContact CB-SD 3.51Å; A341-M369 VanDerWaalsContact CB-SD 3.51Å; A341-K372 HydrophobicContact CB-CB 4.29Å; A341-K372 HydrophobicContact CB-CG 4.24Å
342L96.7Very high94.3Very high0 Ų041.4 Ų41.40%023%0.226CC..Hα-helixtrans-66.3-41.6174.3178.961.8000111.4F283 L303 E304 L307 V338 R339 Q340 L345 L346 M369F283-L342 HydrophobicContact CE2-CD2 4.46Å; F283-L342 HydrophobicContact CZ-CD1 4.42Å; F283-L342 HydrophobicContact CZ-CD2 4.4Å; L303-L342 HydrophobicContact CB-CD1 4.23Å; L303-L342 HydrophobicContact CB-CD2 4.33Å; L303-L342 HydrophobicContact CD1-CD1 4.27Å; E304-L342 HydrophobicContact CG-CD2 4.12Å; L307-L342 HydrophobicContact CB-CD2 4.29Å; L307-L342 HydrophobicContact CD2-CB 4.16Å; L307-L342 HydrophobicContact CD2-CD2 3.57Å; V338-L342 PolarHBondContact O-N 3.31Å; R339-L342 PolarHBondContact O-N 2.98Å; Q340-L342 VanDerWaalsContact C-N 3.26Å; Q340-L342 PolarHBondContact O-N 3.46Å; L342-L345 PolarHBondContact O-N 3.37Å; L342-L346 HydrophobicContact CD1-CD1 4.31Å; L342-L346 HydrophobicContact CD1-CG 4.21Å; L342-L346 HydrophobicContact CG-CD1 4.14Å; L342-L346 HydrophobicContact CG-CG 4.47Å; L342-L346 WeakPolarHBondContact O-CB 3.33Å; L342-L346 VanDerWaalsContact O-CG 3.28Å; L342-L346 WeakPolarHBondContact O-CG 3.25Å; L342-L346 PolarHBondContact O-N 2.82Å; L342-M369 HydrophobicContact CB-CE 4.14Å; L342-M369 HydrophobicContact CB-SD 4.09Å; L342-M369 PolarHBondContact N-SD 3.35Å
343Q96.2Very high93.6Very high56 Ų5641.7 Ų41.726%0.26223%0.228SC..Hα-helixtrans-65.4-40.6177.6-59.9-53.3-4300111.9E304 R339 Q340 S347E304-Q343 PolarHBondContact OE1-NE2 2.68Å; E304-Q343 VanDerWaalsContact OE1-NE2 3.14Å; R339-Q343 WeakPolarHBondContact O-CG 3.46Å; R339-Q343 PolarHBondContact O-N 3.49Å; R339-Q343 VanDerWaalsContact O-N 3.13Å; Q340-Q343 PolarHBondContact O-N 3.5Å; Q340-Q343 VanDerWaalsContact O-N 3.12Å; Q343-S347 PolarHBondContact O-N 2.95Å; Q343-S347 VanDerWaalsContact O-N 3.1Å; Q343-S347 PolarHBondContact O-OG 3.08Å
344D95.5Very high92.7Very high49 Ų4941.3 Ų41.326%0.26223%0.23SC..Hα-helixtrans-61.7-46.7173.7-62.9-11.4000110.5Q340 A341 L346 S347 E348 K368Q340-D344 PolarHBondContact NE2-OD1 2.86Å; Q340-D344 VanDerWaalsContact O-CG 3.26Å; Q340-D344 PolarHBondContact O-N 3.28Å; A341-D344 PolarHBondContact O-N 3.44Å; D344-L346 PolarHBondContact O-N 3.48Å; D344-S347 WeakPolarHBondContact O-CB 3.45Å; D344-S347 PolarHBondContact O-N 3.34Å; D344-E348 PolarHBondContact O-N 2.88Å; D344-K368 IonicContact OD2-NZ 3.87Å; D344-K368 PolarHBondContact OD2-NZ 2.88Å
345L95.1Very high91.9Very high1 Ų146.8 Ų46.81%0.00525%0.249CC..Hα-helixtrans-61.8-44.8179.5177.762.9000112.5I287 A341 L342 S347 E348 Y349 L362 A365 I366 M369I287-L345 HydrophobicContact CB-CD2 3.88Å; I287-L345 HydrophobicContact CG2-CD2 4.14Å; A341-L345 VanDerWaalsContact O-CB 3.27Å; A341-L345 WeakPolarHBondContact O-CB 3.35Å; A341-L345 PolarHBondContact O-N 3.04Å; L342-L345 PolarHBondContact O-N 3.37Å; L345-S347 VanDerWaalsContact C-N 3.3Å; L345-S347 PolarHBondContact O-N 3.02Å; L345-E348 PolarHBondContact O-N 3.08Å; L345-Y349 HydrophobicContact CD1-CD2 3.87Å; L345-Y349 HydrophobicContact CD1-CE2 3.61Å; L345-Y349 HydrophobicContact CD2-CE2 4.23Å; L345-Y349 HydrophobicContact CG-CD2 3.88Å; L345-Y349 HydrophobicContact CG-CE2 3.84Å; L345-Y349 WeakPolarHBondContact O-CD2 3.31Å; L345-Y349 PolarHBondContact O-N 2.92Å; L345-L362 HydrophobicContact CD1-CD1 4.02Å; L345-A365 HydrophobicContact CD1-CB 4.03Å; L345-I366 HydrophobicContact CD1-CB 4.45Å; L345-I366 HydrophobicContact CD1-CG1 3.59Å; L345-M369 HydrophobicContact CD2-CB 4.03Å; L345-M369 HydrophobicContact CD2-CG 3.86Å
346L93Very high90.7Very high1 Ų155.7 Ų55.71%0.00529%0.287CS..Hα-helixtrans-62.1-40.1176.9-72.2171.1000111.4F294 R300 L303 L342 D344 Y349 M350F294-L346 HydrophobicContact CE2-CD2 4.16Å; F294-L346 HydrophobicContact CZ-CD2 4.03Å; R300-L346 HydrophobicContact CB-CD1 4.31Å; R300-L346 HydrophobicContact CB-CD2 4.48Å; R300-L346 HydrophobicContact CG-CD1 3.79Å; L303-L346 HydrophobicContact CD1-CD2 4.13Å; L342-L346 HydrophobicContact CD1-CD1 4.31Å; L342-L346 HydrophobicContact CD1-CG 4.21Å; L342-L346 HydrophobicContact CG-CD1 4.14Å; L342-L346 HydrophobicContact CG-CG 4.47Å; L342-L346 WeakPolarHBondContact O-CB 3.33Å; L342-L346 VanDerWaalsContact O-CG 3.28Å; L342-L346 WeakPolarHBondContact O-CG 3.25Å; L342-L346 PolarHBondContact O-N 2.82Å; D344-L346 PolarHBondContact O-N 3.48Å; L346-Y349 PolarHBondContact O-N 3.44Å; L346-M350 WeakPolarHBondContact O-CG 3.13Å; L346-M350 PolarHBondContact O-N 3.16Å
347S92.4Very high89.6Confident58 Ų5859.6 Ų59.641%0.40630%0.303SS..Hα-helixtrans-62.2-42.3176-57.40000111.6Q343 D344 L345 M350 N351Q343-S347 PolarHBondContact O-N 2.95Å; Q343-S347 VanDerWaalsContact O-N 3.1Å; Q343-S347 PolarHBondContact O-OG 3.08Å; D344-S347 WeakPolarHBondContact O-CB 3.45Å; D344-S347 PolarHBondContact O-N 3.34Å; L345-S347 VanDerWaalsContact C-N 3.3Å; L345-S347 PolarHBondContact O-N 3.02Å; S347-M350 WeakPolarHBondContact O-CB 3.42Å; S347-M350 PolarHBondContact O-N 3.21Å; S347-N351 VanDerWaalsContact O-CG 3.31Å; S347-N351 PolarHBondContact O-N 3Å; S347-N351 PolarHBondContact O-ND2 3.03Å
348E92.1Very high88.6Confident49 Ų4962 Ų6223%0.22931%0.308CS..Hα-helixtrans-67.4-37.2175.6-72.8-53.9138.600113D344 L345 M350 N351 N352 P361 L362 A365D344-E348 PolarHBondContact O-N 2.88Å; L345-E348 PolarHBondContact O-N 3.08Å; E348-M350 VanDerWaalsContact C-N 3.33Å; E348-M350 PolarHBondContact O-N 3.08Å; E348-N351 PolarHBondContact O-N 3.38Å; E348-N352 WeakPolarHBondContact O-CB 3.12Å; E348-N352 PolarHBondContact O-N 3.44Å; E348-N352 PolarHBondContact O-ND2 3.01Å; E348-P361 WeakPolarHBondContact OE2-CB 3.24Å; E348-L362 HydrophobicContact CB-CB 4.43Å; E348-L362 HydrophobicContact CB-CD1 3.87Å; E348-A365 HydrophobicContact CB-CB 4.11Å; E348-A365 HydrophobicContact CG-CB 3.81Å
349Y91Very high87.7Confident2 Ų262.9 Ų62.91%0.00832%0.317CS..Hα-helixtrans-61.7-42172.4-91.6-62.1000112I287 L289 P291 F294 L345 L346 N351 N352 T353 L362I287-Y349 PolarHBondContact O-OH 2.95Å; L289-Y349 HydrophobicContact CB-CE1 3.83Å; L289-Y349 HydrophobicContact CB-CE2 4.37Å; L289-Y349 HydrophobicContact CD1-CE2 4.5Å; L289-Y349 PolarHBondContact N-OH 3.3Å; L289-Y349 WeakPolarHBondContact O-CE1 3Å; L289-Y349 PolarHBondContact O-OH 3.16Å; L289-Y349 VanDerWaalsContact O-OH 3.05Å; P291-Y349 HydrophobicContact CG-CE1 4.25Å; F294-Y349 HydrophobicContact CB-CD1 4.43Å; F294-Y349 HydrophobicContact CD2-CD1 4.09Å; F294-Y349 AromaticContact CD2-CG 3.93Å; F294-Y349 HydrophobicContact CD2-CG 3.93Å; F294-Y349 HydrophobicContact CE2-CD2 4.38Å; F294-Y349 HydrophobicContact CE2-CG 4.03Å; F294-Y349 HydrophobicContact CG-CD1 4.22Å; F294-Y349 HydrophobicContact CG-CG 4.28Å; F294-Y349 HydrophobicContact CZ-CG 4.45Å; L345-Y349 HydrophobicContact CD1-CD2 3.87Å; L345-Y349 HydrophobicContact CD1-CE2 3.61Å; L345-Y349 HydrophobicContact CD2-CE2 4.23Å; L345-Y349 HydrophobicContact CG-CD2 3.88Å; L345-Y349 HydrophobicContact CG-CE2 3.84Å; L345-Y349 WeakPolarHBondContact O-CD2 3.31Å; L345-Y349 PolarHBondContact O-N 2.92Å; L346-Y349 PolarHBondContact O-N 3.44Å; Y349-N351 PolarHBondContact O-N 3.29Å; Y349-N352 CarbonylContact O-C 3.53Å; Y349-N352 PolarHBondContact O-N 2.89Å; Y349-T353 PolarHBondContact O-N 3.34Å; Y349-T353 VanDerWaalsContact O-N 3.09Å; Y349-T353 PolarHBondContact O-OG1 2.72Å; Y349-L362 HydrophobicContact CD1-CD1 3.98Å; Y349-L362 HydrophobicContact CD1-CD2 4.1Å; Y349-L362 HydrophobicContact CD2-CD1 4.01Å; Y349-L362 HydrophobicContact CE1-CD1 4.01Å; Y349-L362 HydrophobicContact CE1-CD2 3.92Å; Y349-L362 HydrophobicContact CE2-CD1 4.06Å; Y349-L362 HydrophobicContact CG-CD1 3.96Å
350M88.4Confident87.2Confident79 Ų7965.1 Ų65.139%0.38934%0.335SS..Hα-helixtrans-60.2-45.1174.8-69.2174.270.700111.6F294 E296 L346 S347 E348 N352 T353F294-M350 HydrophobicContact CE1-CG 3.9Å; E296-M350 HydrophobicContact CG-SD 4.32Å; E296-M350 WeakPolarHBondContact OE2-CE 3.36Å; L346-M350 WeakPolarHBondContact O-CG 3.13Å; L346-M350 PolarHBondContact O-N 3.16Å; S347-M350 WeakPolarHBondContact O-CB 3.42Å; S347-M350 PolarHBondContact O-N 3.21Å; E348-M350 VanDerWaalsContact C-N 3.33Å; E348-M350 PolarHBondContact O-N 3.08Å; M350-N352 PolarHBondContact O-N 2.63Å; M350-T353 WeakPolarHBondContact CA-OG1 3.29Å; M350-T353 WeakPolarHBondContact O-CB 3.37Å; M350-T353 PolarHBondContact O-N 2.93Å; M350-T353 PolarHBondContact O-OG1 3.35Å
351N87.2Confident86.8Confident104 Ų10463.5 Ų63.556%0.55633%0.333SS*.Hα-helixtrans-64.4-23.8177.6-69.4-23.5000113.8S347 E348 Y349S347-N351 VanDerWaalsContact O-CG 3.31Å; S347-N351 PolarHBondContact O-N 3Å; S347-N351 PolarHBondContact O-ND2 3.03Å; E348-N351 PolarHBondContact O-N 3.38Å; Y349-N351 PolarHBondContact O-N 3.29Å
352N85.2Confident86.4Confident6 Ų663.4 Ų63.43%0.03233%0.332CS..THydrogen-bonded Turntrans-1024.7-179.6-75.2-95.5000113.5P291 E348 Y349 M350 G354 R355 G359 L362P291-N352 HydrophobicContact CB-CB 4.33Å; E348-N352 WeakPolarHBondContact O-CB 3.12Å; E348-N352 PolarHBondContact O-N 3.44Å; E348-N352 PolarHBondContact O-ND2 3.01Å; Y349-N352 CarbonylContact O-C 3.53Å; Y349-N352 PolarHBondContact O-N 2.89Å; M350-N352 PolarHBondContact O-N 2.63Å; N352-G354 PolarHBondContact O-N 3.05Å; N352-R355 WeakPolarHBondContact O-CB 3.48Å; N352-R355 PolarHBondContact O-N 3.3Å; N352-R355 VanDerWaalsContact O-N 3.1Å; N352-G359 PolarHBondContact OD1-N 2.79Å; N352-L362 HydrophobicContact CB-CD2 4.02Å
353T81.3Confident86Confident79 Ų7966 Ų6649%0.48535%0.347SS..THydrogen-bonded Turntrans-56.2126.6-178-51.90000111.3Y349 M350 R355Y349-T353 PolarHBondContact O-N 3.34Å; Y349-T353 VanDerWaalsContact O-N 3.09Å; Y349-T353 PolarHBondContact O-OG1 2.72Å; M350-T353 WeakPolarHBondContact CA-OG1 3.29Å; M350-T353 WeakPolarHBondContact O-CB 3.37Å; M350-T353 PolarHBondContact O-N 2.93Å; M350-T353 PolarHBondContact O-OG1 3.35Å; T353-R355 VanDerWaalsContact C-N 3.33Å; T353-R355 PolarHBondContact O-N 2.95Å
354G76.9Confident85.8Confident51 Ų5168.8 Ų68.853%0.52636%0.362SS..THydrogen-bonded Turntrans79.17.3178.300000115.5P291 M292 N352P291-G354 PolarHBondContact O-N 3.17Å; M292-G354 VanDerWaalsContact SD-O 3.37Å; N352-G354 PolarHBondContact O-N 3.05Å
355R78.6Confident85.6Confident144 Ų14466.9 Ų66.954%0.54335%0.353SS..  trans-86.9137.5171.1-61.4-173.3-176.4-1571.4110.8M292 N352 T353M292-R355 WeakPolarHBondContact CG-O 3.25Å; M292-R355 VanDerWaalsContact SD-O 3.37Å; N352-R355 WeakPolarHBondContact O-CB 3.48Å; N352-R355 PolarHBondContact O-N 3.3Å; N352-R355 VanDerWaalsContact O-N 3.1Å; T353-R355 VanDerWaalsContact C-N 3.33Å; T353-R355 PolarHBondContact O-N 2.95Å
356K72.9Confident85.4Confident193 Ų19367.5 Ų67.584%0.83936%0.356SS*.SBendtrans-70.8-28.2177.4-76-174.3177.4-1790113.8M292M292-K356 HydrophobicContact CE-CG 4.17Å; M292-K356 HydrophobicContact SD-CG 4.22Å
357E73.4Confident85.3Confident167 Ų16772.7 Ų72.778%0.7838%0.384SS*.SBendtrans-119.4141.5-179-67.9179.9179.900109.8G359E357-G359 PolarHBondContact O-N 3.19Å
358K75.9Confident85.3Confident79 Ų7974.5 Ų74.534%0.34338%0.384SS..  trans-69.6121.3174.6-62.5-178.4179.6-174.80108.6P291 L362 N363 I366P291-K358 HydrophobicContact CG-CG 3.94Å; K358-L362 HydrophobicContact CB-CD2 4.18Å; K358-L362 HydrophobicContact CG-CD2 4.12Å; K358-N363 WeakPolarHBondContact CB-OD1 3.27Å; K358-N363 WeakPolarHBondContact CD-OD1 3.42Å; K358-I366 HydrophobicContact CD-CD1 4.42Å
359G78.7Confident85.4Confident18 Ų1872.2 Ų72.219%0.18637%0.374CS..  trans-67.4155.1172.100000112N352 E357 P361 L362 N363N352-G359 PolarHBondContact OD1-N 2.79Å; E357-G359 PolarHBondContact O-N 3.19Å; G359-P361 VanDerWaalsContact C-CD 3.41Å; G359-P361 VanDerWaalsContact C-N 3.32Å; G359-L362 WeakPolarHBondContact O-CB 3.45Å; G359-L362 PolarHBondContact O-N 3.33Å; G359-N363 PolarHBondContact O-N 3.46Å; G359-N363 VanDerWaalsContact O-N 3.16Å
360D86Confident85.4Confident123 Ų12374.8 Ų74.866%0.65839%0.39SS*.Hα-helixtrans-52.2-41.6176.3-59.3-30.3000113.6L362 N363 I364D360-L362 VanDerWaalsContact C-N 3.29Å; D360-L362 PolarHBondContact O-N 3.48Å; D360-N363 PolarHBondContact O-N 3.44Å; D360-N363 VanDerWaalsContact O-N 3.17Å; D360-I364 VanDerWaalsContact O-CG1 3.31Å; D360-I364 WeakPolarHBondContact O-CG1 3.36Å; D360-I364 PolarHBondContact O-N 2.87Å
361P88.7Confident85.5Confident72 Ų7276.6 Ų76.647%0.46840%0.395SS..Hα-helixtrans-58.9-37.6176.4-26.236.6000113.7E348 G359 I364 A365E348-P361 WeakPolarHBondContact OE2-CB 3.24Å; G359-P361 VanDerWaalsContact C-CD 3.41Å; G359-P361 VanDerWaalsContact C-N 3.32Å; P361-I364 PolarHBondContact O-N 3Å; P361-A365 WeakPolarHBondContact O-CB 3.29Å; P361-A365 PolarHBondContact O-N 2.97Å
362L89Confident85.9Confident0 Ų073.9 Ų73.90%038%0.379CS..Hα-helixtrans-69.3-41.1177176.862.2000111.3P291 L345 E348 Y349 N352 K358 G359 D360 I364 A365 I366P291-L362 HydrophobicContact CG-CD2 3.71Å; L345-L362 HydrophobicContact CD1-CD1 4.02Å; E348-L362 HydrophobicContact CB-CB 4.43Å; E348-L362 HydrophobicContact CB-CD1 3.87Å; Y349-L362 HydrophobicContact CD1-CD1 3.98Å; Y349-L362 HydrophobicContact CD1-CD2 4.1Å; Y349-L362 HydrophobicContact CD2-CD1 4.01Å; Y349-L362 HydrophobicContact CE1-CD1 4.01Å; Y349-L362 HydrophobicContact CE1-CD2 3.92Å; Y349-L362 HydrophobicContact CE2-CD1 4.06Å; Y349-L362 HydrophobicContact CG-CD1 3.96Å; N352-L362 HydrophobicContact CB-CD2 4.02Å; K358-L362 HydrophobicContact CB-CD2 4.18Å; K358-L362 HydrophobicContact CG-CD2 4.12Å; G359-L362 WeakPolarHBondContact O-CB 3.45Å; G359-L362 PolarHBondContact O-N 3.33Å; D360-L362 VanDerWaalsContact C-N 3.29Å; D360-L362 PolarHBondContact O-N 3.48Å; L362-I364 VanDerWaalsContact C-N 3.34Å; L362-A365 PolarHBondContact O-N 3.35Å; L362-I366 HydrophobicContact CD1-CD1 4.28Å; L362-I366 HydrophobicContact CD1-CG1 4.36Å; L362-I366 HydrophobicContact CG-CD1 4.06Å; L362-I366 VanDerWaalsContact O-CG1 3.3Å; L362-I366 WeakPolarHBondContact O-CG1 3.39Å; L362-I366 PolarHBondContact O-N 3.23Å
363N89Confident86.2Confident56 Ų5673.7 Ų73.730%0.29938%0.377SS..Hα-helixtrans-62.8-43.4176-67-34.2000110.9K358 G359 D360 A365 I366 D367K358-N363 WeakPolarHBondContact CB-OD1 3.27Å; K358-N363 WeakPolarHBondContact CD-OD1 3.42Å; G359-N363 PolarHBondContact O-N 3.46Å; G359-N363 VanDerWaalsContact O-N 3.16Å; D360-N363 PolarHBondContact O-N 3.44Å; D360-N363 VanDerWaalsContact O-N 3.17Å; N363-A365 VanDerWaalsContact C-N 3.31Å; N363-A365 PolarHBondContact O-N 2.96Å; N363-I366 PolarHBondContact O-N 2.8Å; N363-D367 VanDerWaalsContact O-CG 3.32Å; N363-D367 PolarHBondContact O-N 3.5Å
364I91.3Very high86.7Confident114 Ų11475 Ų7559%0.58537%0.373SS*.Hα-helixtrans-60.2-41.2174.9-66.1166.2000111.2D360 P361 L362 D367 K368D360-I364 VanDerWaalsContact O-CG1 3.31Å; D360-I364 WeakPolarHBondContact O-CG1 3.36Å; D360-I364 PolarHBondContact O-N 2.87Å; P361-I364 PolarHBondContact O-N 3Å; L362-I364 VanDerWaalsContact C-N 3.34Å; I364-D367 PolarHBondContact O-N 3.27Å; I364-K368 VanDerWaalsContact O-CB 3.27Å; I364-K368 WeakPolarHBondContact O-CB 3.34Å; I364-K368 PolarHBondContact O-N 3.37Å
365A91.9Very high87.3Confident8 Ų873 Ų737%0.06635%0.351CS..Hα-helixtrans-67.5-38.7177.300000112.6L345 E348 P361 L362 N363 K368 M369L345-A365 HydrophobicContact CD1-CB 4.03Å; E348-A365 HydrophobicContact CB-CB 4.11Å; E348-A365 HydrophobicContact CG-CB 3.81Å; P361-A365 WeakPolarHBondContact O-CB 3.29Å; P361-A365 PolarHBondContact O-N 2.97Å; L362-A365 PolarHBondContact O-N 3.35Å; N363-A365 VanDerWaalsContact C-N 3.31Å; N363-A365 PolarHBondContact O-N 2.96Å; A365-K368 PolarHBondContact O-N 3.47Å; A365-M369 WeakPolarHBondContact O-CB 3.46Å; A365-M369 PolarHBondContact O-N 3.25Å
366I91.1Very high88Confident15 Ų1566.1 Ų66.18%0.07733%0.325CS..Hα-helixtrans-61.9-48.5173.1-68.7166.2000109.9L345 K358 L362 N363 K368 M369 T370L345-I366 HydrophobicContact CD1-CB 4.45Å; L345-I366 HydrophobicContact CD1-CG1 3.59Å; K358-I366 HydrophobicContact CD-CD1 4.42Å; L362-I366 HydrophobicContact CD1-CD1 4.28Å; L362-I366 HydrophobicContact CD1-CG1 4.36Å; L362-I366 HydrophobicContact CG-CD1 4.06Å; L362-I366 VanDerWaalsContact O-CG1 3.3Å; L362-I366 WeakPolarHBondContact O-CG1 3.39Å; L362-I366 PolarHBondContact O-N 3.23Å; N363-I366 PolarHBondContact O-N 2.8Å; I366-K368 VanDerWaalsContact C-N 3.35Å; I366-K368 PolarHBondContact O-N 3.13Å; I366-M369 WeakPolarHBondContact O-CB 3.33Å; I366-M369 PolarHBondContact O-N 3.28Å; I366-M369 VanDerWaalsContact O-N 3.15Å; I366-T370 PolarHBondContact O-N 3.36Å; I366-T370 PolarHBondContact O-OG1 2.81Å
367D90Very high89Confident109 Ų10958.5 Ų58.558%0.58329%0.291SS*.Hα-helixtrans-62.7-41.9179.5-69.6-20.7000111.6N363 I364 M369 T370 K371N363-D367 VanDerWaalsContact O-CG 3.32Å; N363-D367 PolarHBondContact O-N 3.5Å; I364-D367 PolarHBondContact O-N 3.27Å; D367-M369 VanDerWaalsContact C-N 3.33Å; D367-M369 PolarHBondContact O-N 2.77Å; D367-T370 PolarHBondContact O-N 3.31Å; D367-K371 VanDerWaalsContact O-CB 3.28Å; D367-K371 WeakPolarHBondContact O-CB 3.3Å; D367-K371 PolarHBondContact O-N 3.22Å
368K92.9Very high89.8Confident97 Ų9751.3 Ų51.342%0.42226%0.257SS..Hα-helixtrans-60.2-43.2173.7-175.6-175.9178.8-171.40111.2D344 I364 A365 I366 K371 K372D344-K368 IonicContact OD2-NZ 3.87Å; D344-K368 PolarHBondContact OD2-NZ 2.88Å; I364-K368 VanDerWaalsContact O-CB 3.27Å; I364-K368 WeakPolarHBondContact O-CB 3.34Å; I364-K368 PolarHBondContact O-N 3.37Å; A365-K368 PolarHBondContact O-N 3.47Å; I366-K368 VanDerWaalsContact C-N 3.35Å; I366-K368 PolarHBondContact O-N 3.13Å; K368-K371 PolarHBondContact O-N 3.47Å; K368-K372 WeakPolarHBondContact O-CG 3.44Å; K368-K372 PolarHBondContact O-N 3.23Å
369M95Very high90.6Very high0 Ų048.2 Ų48.20%024%0.243CC..Hα-helixtrans-62.7-51177.8-171.366.4-151.700111.4F283 I287 V338 A341 L342 L345 A365 I366 D367 K371 K372 T373F283-M369 HydrophobicContact CD1-CE 4.44Å; F283-M369 HydrophobicContact CE1-CE 3.19Å; F283-M369 HydrophobicContact CZ-CE 3.37Å; I287-M369 HydrophobicContact CD1-CB 4.11Å; I287-M369 HydrophobicContact CD1-CG 3.62Å; I287-M369 HydrophobicContact CG2-CG 4.39Å; V338-M369 HydrophobicContact CG1-CE 3.52Å; A341-M369 HydrophobicContact CB-SD 3.51Å; A341-M369 VanDerWaalsContact CB-SD 3.51Å; L342-M369 HydrophobicContact CB-CE 4.14Å; L342-M369 HydrophobicContact CB-SD 4.09Å; L342-M369 PolarHBondContact N-SD 3.35Å; L345-M369 HydrophobicContact CD2-CB 4.03Å; L345-M369 HydrophobicContact CD2-CG 3.86Å; A365-M369 WeakPolarHBondContact O-CB 3.46Å; A365-M369 PolarHBondContact O-N 3.25Å; I366-M369 WeakPolarHBondContact O-CB 3.33Å; I366-M369 PolarHBondContact O-N 3.28Å; I366-M369 VanDerWaalsContact O-N 3.15Å; D367-M369 VanDerWaalsContact C-N 3.33Å; D367-M369 PolarHBondContact O-N 2.77Å; M369-K371 VanDerWaalsContact C-N 3.31Å; M369-K371 PolarHBondContact O-N 2.95Å; M369-K372 PolarHBondContact O-N 3.13Å; M369-K372 VanDerWaalsContact O-N 3.15Å; M369-T373 PolarHBondContact O-N 2.88Å; M369-T373 PolarHBondContact O-OG1 3.43Å; M369-T373 VanDerWaalsContact O-OG1 3.1Å
370T90.5Very high91.4Very high56 Ų5647.4 Ų47.434%0.34424%0.235SC..Hα-helixtrans-61.2-39.5177.4-57.60000111.6I366 D367 T373 R374I366-T370 PolarHBondContact O-N 3.36Å; I366-T370 PolarHBondContact O-OG1 2.81Å; D367-T370 PolarHBondContact O-N 3.31Å; T370-T373 PolarHBondContact O-N 3.14Å; T370-R374 WeakPolarHBondContact O-CB 3.33Å; T370-R374 PolarHBondContact O-N 3.38Å
371K90.4Very high91.8Very high117 Ų11744.4 Ų44.451%0.50921%0.214SC..Hα-helixtrans-59.8-46.7173.7-178.1176.6178176.60111.1D367 K368 M369 R374 D375D367-K371 VanDerWaalsContact O-CB 3.28Å; D367-K371 WeakPolarHBondContact O-CB 3.3Å; D367-K371 PolarHBondContact O-N 3.22Å; K368-K371 PolarHBondContact O-N 3.47Å; M369-K371 VanDerWaalsContact C-N 3.31Å; M369-K371 PolarHBondContact O-N 2.95Å; K371-R374 WeakPolarHBondContact O-CB 3.45Å; K371-R374 PolarHBondContact O-N 3.31Å; K371-D375 PolarHBondContact O-N 2.8Å
372K94.5Very high92Very high48 Ų4841.5 Ų41.521%0.20919%0.194CC..Hα-helixtrans-68.5-37.4179.6-72.2-46.2-164.8173.90113.9E334 A337 V338 A341 K368 M369 R374 D375 L376E334-K372 IonicContact OE1-NZ 3.54Å; E334-K372 PolarHBondContact OE1-NZ 3.32Å; E334-K372 VanDerWaalsContact OE1-NZ 3.1Å; E334-K372 WeakPolarHBondContact OE2-CD 3.15Å; E334-K372 IonicContact OE2-NZ 3.43Å; E334-K372 PolarHBondContact OE2-NZ 3.28Å; A337-K372 HydrophobicContact CB-CD 4.04Å; A337-K372 HydrophobicContact CB-CG 4.35Å; V338-K372 HydrophobicContact CG2-CB 3.92Å; V338-K372 WeakPolarHBondContact CG2-O 3.34Å; A341-K372 HydrophobicContact CB-CB 4.29Å; A341-K372 HydrophobicContact CB-CG 4.24Å; K368-K372 WeakPolarHBondContact O-CG 3.44Å; K368-K372 PolarHBondContact O-N 3.23Å; M369-K372 PolarHBondContact O-N 3.13Å; M369-K372 VanDerWaalsContact O-N 3.15Å; K372-R374 VanDerWaalsContact C-N 3.26Å; K372-R374 PolarHBondContact O-N 2.97Å; K372-D375 IonicContact NZ-OD2 3.78Å; K372-D375 PolarHBondContact NZ-OD2 3.39Å; K372-D375 PolarHBondContact O-N 2.93Å; K372-L376 PolarHBondContact O-N 2.92Å
373T92.5Very high92.3Very high1 Ų141.5 Ų41.51%0.00619%0.194CC..Hα-helixtrans-63-35.7170.9-43.20000111.5L280 F283 D284 M369 T370 R377L280-T373 HydrophobicContact CD2-CG2 3.55Å; F283-T373 HydrophobicContact CD1-CG2 4.25Å; D284-T373 VanDerWaalsContact OD1-CB 3.26Å; D284-T373 WeakPolarHBondContact OD1-CB 3.28Å; D284-T373 WeakPolarHBondContact OD1-CG2 3.43Å; D284-T373 PolarHBondContact OD1-OG1 3.45Å; D284-T373 VanDerWaalsContact OD1-OG1 3.11Å; M369-T373 PolarHBondContact O-N 2.88Å; M369-T373 PolarHBondContact O-OG1 3.43Å; M369-T373 VanDerWaalsContact O-OG1 3.1Å; T370-T373 PolarHBondContact O-N 3.14Å; T373-R377 VanDerWaalsContact CG2-NH1 3.26Å; T373-R377 WeakPolarHBondContact O-CG 3.46Å; T373-R377 PolarHBondContact O-N 3.34Å
374R91Very high92.6Very high106 Ų10638.8 Ų38.840%0.418%0.18SC..Hα-helixtrans-69.4-42.5175.5-176.3177.461.8-1731.2112.5T370 K371 K372 L376 R377 R378 E637T370-R374 WeakPolarHBondContact O-CB 3.33Å; T370-R374 PolarHBondContact O-N 3.38Å; K371-R374 WeakPolarHBondContact O-CB 3.45Å; K371-R374 PolarHBondContact O-N 3.31Å; K372-R374 VanDerWaalsContact C-N 3.26Å; K372-R374 PolarHBondContact O-N 2.97Å; R374-L376 PolarHBondContact O-N 3.32Å; R374-R377 WeakPolarHBondContact O-CB 3.3Å; R374-R377 PolarHBondContact O-N 2.98Å; R374-R378 PolarHBondContact O-N 3.47Å; R374-E637 WeakPolarHBondContact CD-OE1 3.44Å
375D89.5Confident92.8Very high9 Ų933.5 Ų33.55%0.04815%0.153CC..Hα-helixtrans-60.9-44.3175.7-68.6-24.8000111.1E334 K371 K372 R377 R378 Q379E334-D375 HydrophobicContact CG-CB 4.31Å; K371-D375 PolarHBondContact O-N 2.8Å; K372-D375 IonicContact NZ-OD2 3.78Å; K372-D375 PolarHBondContact NZ-OD2 3.39Å; K372-D375 PolarHBondContact O-N 2.93Å; D375-R377 PolarHBondContact O-N 3.26Å; D375-R378 WeakPolarHBondContact O-CB 3.47Å; D375-R378 PolarHBondContact O-N 2.69Å; D375-R378 IonicContact OD1-CZ 3.6Å; D375-R378 IonicContact OD1-NH1 3.7Å; D375-R378 PolarHBondContact OD1-NH1 3.07Å; D375-R378 IonicContact OD1-NH2 2.72Å; D375-R378 PolarHBondContact OD1-NH2 2.99Å; D375-Q379 PolarHBondContact O-N 2.92Å; D375-Q379 VanDerWaalsContact O-N 3.08Å
376L94.4Very high93Very high1 Ų133.1 Ų33.11%0.00515%0.15CC..Hα-helixtrans-59.6-47.2173.2178.159.7000111.4I310 A314 I331 E334 V338 K372 R374 R378 Q379 L380I310-L376 HydrophobicContact CG2-CD2 4.08Å; A314-L376 HydrophobicContact CB-CD1 4.48Å; I331-L376 HydrophobicContact CG2-CD1 4.46Å; E334-L376 HydrophobicContact CB-CB 4.25Å; E334-L376 HydrophobicContact CB-CD1 4.19Å; V338-L376 HydrophobicContact CG2-CB 4.06Å; V338-L376 HydrophobicContact CG2-CD2 4.11Å; K372-L376 PolarHBondContact O-N 2.92Å; R374-L376 PolarHBondContact O-N 3.32Å; L376-R378 VanDerWaalsContact C-N 3.29Å; L376-R378 PolarHBondContact O-N 2.77Å; L376-Q379 PolarHBondContact O-N 3.39Å; L376-L380 HydrophobicContact CD1-CD1 4.2Å; L376-L380 HydrophobicContact CD1-CG 4.15Å; L376-L380 HydrophobicContact CG-CD1 4.02Å; L376-L380 HydrophobicContact CG-CG 4.41Å; L376-L380 VanDerWaalsContact O-CG 3.28Å; L376-L380 WeakPolarHBondContact O-CG 3.38Å; L376-L380 PolarHBondContact O-N 2.95Å
377R93.5Very high93.2Very high33 Ų3332.5 Ų32.513%0.12515%0.146CC..Hα-helixtrans-53.2-46.6174.7-86-174-171.5100-16.5112L280 N281 D284 T373 R374 D375 L380 R381L280-R377 VanDerWaalsContact CB-CZ 3.44Å; L280-R377 VanDerWaalsContact CB-NH2 3.34Å; L280-R377 HydrophobicContact CD1-CG 3.61Å; L280-R377 HydrophobicContact CD2-CG 4.29Å; L280-R377 HydrophobicContact CG-CG 4.41Å; L280-R377 PolarHBondContact O-NH2 3.45Å; L280-R377 VanDerWaalsContact O-NH2 3.14Å; N281-R377 PolarHBondContact OD1-NH2 2.95Å; D284-R377 IonicContact OD2-CZ 3.91Å; D284-R377 IonicContact OD2-NH1 3.35Å; D284-R377 PolarHBondContact OD2-NH1 3.45Å; D284-R377 IonicContact OD2-NH2 3.98Å; D284-R377 PolarHBondContact OD2-NH2 2.74Å; T373-R377 VanDerWaalsContact CG2-NH1 3.26Å; T373-R377 WeakPolarHBondContact O-CG 3.46Å; T373-R377 PolarHBondContact O-N 3.34Å; R374-R377 WeakPolarHBondContact O-CB 3.3Å; R374-R377 PolarHBondContact O-N 2.98Å; D375-R377 PolarHBondContact O-N 3.26Å; R377-L380 PolarHBondContact O-N 3.13Å; R377-R381 WeakPolarHBondContact O-CG 3.35Å; R377-R381 PolarHBondContact O-N 3.22Å
378R89.5Confident93.5Very high16 Ų1627.3 Ų27.36%0.0612%0.119CC..Hα-helixtrans-59.5-47.3179.5-175.8171.669.8-104.6-3.9111.6R374 D375 L376 L380 R381 K382 E637 D638R374-R378 PolarHBondContact O-N 3.47Å; D375-R378 WeakPolarHBondContact O-CB 3.47Å; D375-R378 PolarHBondContact O-N 2.69Å; D375-R378 IonicContact OD1-CZ 3.6Å; D375-R378 IonicContact OD1-NH1 3.7Å; D375-R378 PolarHBondContact OD1-NH1 3.07Å; D375-R378 IonicContact OD1-NH2 2.72Å; D375-R378 PolarHBondContact OD1-NH2 2.99Å; L376-R378 VanDerWaalsContact C-N 3.29Å; L376-R378 PolarHBondContact O-N 2.77Å; R378-L380 VanDerWaalsContact C-N 3.33Å; R378-L380 PolarHBondContact O-N 3.28Å; R378-R381 PolarHBondContact O-N 3.13Å; R378-K382 PolarHBondContact O-N 3.19Å; R378-E637 PolarHBondContact NH1-O 3.48Å; R378-D638 IonicContact CZ-OD2 3.68Å; R378-D638 VanDerWaalsContact CZ-OD2 3.29Å; R378-D638 IonicContact NE-OD2 2.7Å; R378-D638 IonicContact NH2-OD2 2.81Å; R378-D638 PolarHBondContact NH2-OD2 3.35Å
379Q93.8Very high93.5Very high13 Ų1322.8 Ų22.86%0.06110%0.099CC..Hα-helixtrans-63.3-38.2177.4-65-55.1-35.700112.5R330 I331 E334 D375 L376 K382 A383R330-Q379 HydrophobicContact CB-CG 4.33Å; I331-Q379 HydrophobicContact CG1-CB 3.85Å; E334-Q379 HydrophobicContact CG-CG 4.13Å; D375-Q379 PolarHBondContact O-N 2.92Å; D375-Q379 VanDerWaalsContact O-N 3.08Å; L376-Q379 PolarHBondContact O-N 3.39Å; Q379-K382 PolarHBondContact O-N 3.49Å; Q379-A383 WeakPolarHBondContact O-CB 3.33Å; Q379-A383 PolarHBondContact O-N 3.47Å
380L94.8Very high93.4Very high1 Ų125 Ų251%0.00511%0.111CC..Hα-helixtrans-65.9-41.7175.2-64.2173.1000112.1L276 L280 A314 M317 I331 L376 R377 R378 A383 V384 I438L276-L380 HydrophobicContact CD2-CD1 3.92Å; L280-L380 HydrophobicContact CD1-CD1 4.48Å; A314-L380 HydrophobicContact CB-CD1 4.39Å; A314-L380 HydrophobicContact CB-CD2 3.67Å; M317-L380 HydrophobicContact CE-CB 3.97Å; M317-L380 HydrophobicContact CE-CD2 3.97Å; M317-L380 WeakPolarHBondContact CE-O 3.48Å; M317-L380 HydrophobicContact SD-CB 4.43Å; M317-L380 HydrophobicContact SD-CD2 3.79Å; I331-L380 HydrophobicContact CG2-CD2 4.33Å; L376-L380 HydrophobicContact CD1-CD1 4.2Å; L376-L380 HydrophobicContact CD1-CG 4.15Å; L376-L380 HydrophobicContact CG-CD1 4.02Å; L376-L380 HydrophobicContact CG-CG 4.41Å; L376-L380 VanDerWaalsContact O-CG 3.28Å; L376-L380 WeakPolarHBondContact O-CG 3.38Å; L376-L380 PolarHBondContact O-N 2.95Å; R377-L380 PolarHBondContact O-N 3.13Å; R378-L380 VanDerWaalsContact C-N 3.33Å; R378-L380 PolarHBondContact O-N 3.28Å; L380-A383 PolarHBondContact O-N 3.37Å; L380-V384 WeakPolarHBondContact O-CG2 3.44Å; L380-V384 PolarHBondContact O-N 3.04Å; L380-I438 HydrophobicContact CB-CG2 4.45Å
381R94.1Very high93.6Very high61 Ų6123 Ų2323%0.2310%0.099CC..Hα-helixtrans-59.1-50173.4-66.2-162.7-56.8-93.3-0.5111.3R377 R378 A383 V384 M385 I438 D508 E637R377-R381 WeakPolarHBondContact O-CG 3.35Å; R377-R381 PolarHBondContact O-N 3.22Å; R378-R381 PolarHBondContact O-N 3.13Å; R381-A383 VanDerWaalsContact C-N 3.26Å; R381-A383 PolarHBondContact O-N 2.9Å; R381-V384 WeakPolarHBondContact O-CB 3.43Å; R381-V384 PolarHBondContact O-N 3.39Å; R381-V384 VanDerWaalsContact O-N 3.13Å; R381-M385 WeakPolarHBondContact O-CG 3.44Å; R381-M385 PolarHBondContact O-N 3.05Å; R381-I438 HydrophobicContact CB-CD1 4.23Å; R381-I438 HydrophobicContact CG-CD1 3.89Å; R381-D508 WeakPolarHBondContact CB-OD2 3.42Å; R381-D508 WeakPolarHBondContact CD-OD2 3.28Å; R381-D508 IonicContact CZ-OD2 2.92Å; R381-D508 IonicContact NE-OD2 3.1Å; R381-D508 PolarHBondContact NE-OD2 2.91Å; R381-E637 IonicContact CZ-OE2 3.27Å; R381-E637 IonicContact NH1-OE2 3.64Å; R381-E637 IonicContact NH2-OE2 2.79Å; R381-E637 PolarHBondContact NH2-OE2 2.98Å
382K93.3Very high93.7Very high10 Ų1017.6 Ų17.64%0.0438%0.076CC..Hα-helixtrans-58.8-37.1176.2-67.9-169.9177.4-164.90112R378 Q379 M385 D386 S511 V512 D641R378-K382 PolarHBondContact O-N 3.19Å; Q379-K382 PolarHBondContact O-N 3.49Å; K382-M385 WeakPolarHBondContact O-CB 3.42Å; K382-M385 PolarHBondContact O-N 3Å; K382-M385 VanDerWaalsContact O-N 3.16Å; K382-D386 PolarHBondContact O-N 3.45Å; K382-S511 PolarHBondContact NZ-OG 3.45Å; K382-V512 HydrophobicContact CB-CG2 3.95Å; K382-V512 HydrophobicContact CG-CG2 4.21Å; K382-D641 IonicContact NZ-OD1 3.59Å; K382-D641 PolarHBondContact NZ-OD1 3.02Å; K382-D641 IonicContact NZ-OD2 3.68Å; K382-D641 PolarHBondContact NZ-OD2 3.07Å
383A95.3Very high93.5Very high0 Ų016.8 Ų16.80%07%0.074CC..Hα-helixtrans-67-40.1175.300000113M317 T323 R327 I331 Q379 L380 R381 M385 D386 H387M317-A383 HydrophobicContact CE-CB 4.15Å; T323-A383 HydrophobicContact CG2-CB 4.32Å; R327-A383 VanDerWaalsContact CD-CA 3.42Å; I331-A383 HydrophobicContact CD1-CB 3.85Å; Q379-A383 WeakPolarHBondContact O-CB 3.33Å; Q379-A383 PolarHBondContact O-N 3.47Å; L380-A383 PolarHBondContact O-N 3.37Å; R381-A383 VanDerWaalsContact C-N 3.26Å; R381-A383 PolarHBondContact O-N 2.9Å; A383-M385 PolarHBondContact O-N 2.83Å; A383-D386 WeakPolarHBondContact O-CB 3.49Å; A383-D386 PolarHBondContact O-N 3.41Å; A383-H387 PolarHBondContact O-CD2 3.39Å; A383-H387 PolarHBondContact O-N 2.87Å
384V95.8Very high93.2Very high0 Ų021.2 Ų21.20%09%0.094CC..Hα-helixtrans-59-40.4169.8173.10000110.9M317 L380 R381 D386 H387 I388 L434 A435 I438M317-V384 HydrophobicContact CE-CG2 3.39Å; L380-V384 WeakPolarHBondContact O-CG2 3.44Å; L380-V384 PolarHBondContact O-N 3.04Å; R381-V384 WeakPolarHBondContact O-CB 3.43Å; R381-V384 PolarHBondContact O-N 3.39Å; R381-V384 VanDerWaalsContact O-N 3.13Å; V384-D386 VanDerWaalsContact C-N 3.3Å; V384-D386 PolarHBondContact O-N 2.9Å; V384-H387 WeakPolarHBondContact O-CB 3.18Å; V384-H387 PolarHBondContact O-N 3.33Å; V384-H387 VanDerWaalsContact O-N 3.13Å; V384-I388 HydrophobicContact CG1-CD1 3.67Å; V384-I388 HydrophobicContact CG1-CG1 4.2Å; V384-I388 WeakPolarHBondContact O-CG1 3.12Å; V384-I388 PolarHBondContact O-N 2.85Å; V384-L434 HydrophobicContact CG2-CD1 4.34Å; V384-L434 HydrophobicContact CG2-CD2 4.16Å; V384-L434 HydrophobicContact CG2-CG 3.8Å; V384-A435 HydrophobicContact CG1-CB 3.79Å; V384-I438 HydrophobicContact CB-CD1 3.68Å; V384-I438 HydrophobicContact CG1-CD1 4.05Å; V384-I438 HydrophobicContact CG2-CD1 3.32Å; V384-I438 HydrophobicContact CG2-CG1 3.78Å; V384-I438 HydrophobicContact CG2-CG2 4.41Å
385M95.3Very high93.2Very high3 Ų317.1 Ų17.12%0.0158%0.081CC..Hα-helixtrans-64.3-33.2177.2-58.5-43.2-84.800112.6R381 K382 A383 H387 I388 S389 T504 D508 F509 V512R381-M385 WeakPolarHBondContact O-CG 3.44Å; R381-M385 PolarHBondContact O-N 3.05Å; K382-M385 WeakPolarHBondContact O-CB 3.42Å; K382-M385 PolarHBondContact O-N 3Å; K382-M385 VanDerWaalsContact O-N 3.16Å; A383-M385 PolarHBondContact O-N 2.83Å; M385-H387 VanDerWaalsContact C-N 3.31Å; M385-H387 PolarHBondContact O-N 3.4Å; M385-I388 PolarHBondContact O-N 3.08Å; M385-I388 HydrophobicContact SD-CD1 3.94Å; M385-S389 WeakPolarHBondContact O-CB 3.34Å; M385-S389 PolarHBondContact O-N 2.9Å; M385-T504 HydrophobicContact CE-CG2 4.42Å; M385-T504 HydrophobicContact SD-CG2 3.84Å; M385-D508 HydrophobicContact CG-CB 3.79Å; M385-F509 HydrophobicContact CE-CB 3.29Å; M385-F509 HydrophobicContact CE-CD2 3.62Å; M385-F509 HydrophobicContact CE-CG 3.92Å; M385-V512 HydrophobicContact CB-CB 3.94Å; M385-V512 HydrophobicContact CB-CG1 4.12Å; M385-V512 HydrophobicContact CB-CG2 3.82Å
386D95.4Very high93.4Very high0 Ų019.6 Ų19.60%09%0.094CC..Hα-helixtrans-58.3-48171.5-67-10.1000110.7C322 R324 R327 K382 A383 V384 I388 S389 D390 V512 H516C322-D386 WeakPolarHBondContact O-CB 3.41Å; R324-D386 PolarHBondContact N-OD2 2.98Å; R327-D386 VanDerWaalsContact CD-OD2 3.31Å; R327-D386 WeakPolarHBondContact CD-OD2 3.43Å; R327-D386 IonicContact CZ-OD1 3.15Å; R327-D386 IonicContact CZ-OD2 3.27Å; R327-D386 IonicContact NE-OD1 2.95Å; R327-D386 PolarHBondContact NE-OD1 2.97Å; R327-D386 IonicContact NE-OD2 3.17Å; R327-D386 PolarHBondContact NE-OD2 3.27Å; R327-D386 IonicContact NH2-OD1 3.8Å; R327-D386 PolarHBondContact NH2-OD1 3.48Å; R327-D386 IonicContact NH2-OD2 3.99Å; K382-D386 PolarHBondContact O-N 3.45Å; A383-D386 WeakPolarHBondContact O-CB 3.49Å; A383-D386 PolarHBondContact O-N 3.41Å; V384-D386 VanDerWaalsContact C-N 3.3Å; V384-D386 PolarHBondContact O-N 2.9Å; D386-I388 PolarHBondContact O-N 3.46Å; D386-S389 PolarHBondContact O-N 2.96Å; D386-D390 PolarHBondContact O-N 3.34Å; D386-V512 VanDerWaalsContact OD1-CG1 3.22Å; D386-V512 WeakPolarHBondContact OD1-CG1 3.41Å; D386-H516 IonicContact OD1-CE1 3.66Å; D386-H516 IonicContact OD1-NE2 3.37Å; D386-H516 PolarHBondContact OD1-NE2 2.81Å
387H95.4Very high93.4Very high2 Ų222.9 Ų22.91%0.00911%0.114CC..Hα-helixtrans-64.3-42-178-70.8-137.4000111.8S320 C322 T323 A383 V384 M385 S391 V431 L434S320-H387 WeakPolarHBondContact CB-CE1 3.42Å; S320-H387 PolarHBondContact OG-CE1 3.49Å; C322-H387 HydrophobicContact CB-CB 4.14Å; C322-H387 VanDerWaalsContact CB-CD2 3.41Å; C322-H387 WeakPolarHBondContact CB-CD2 3.24Å; T323-H387 PolarHBondContact OG1-NE2 3.43Å; A383-H387 PolarHBondContact O-CD2 3.39Å; A383-H387 PolarHBondContact O-N 2.87Å; V384-H387 WeakPolarHBondContact O-CB 3.18Å; V384-H387 PolarHBondContact O-N 3.33Å; V384-H387 VanDerWaalsContact O-N 3.13Å; M385-H387 VanDerWaalsContact C-N 3.31Å; M385-H387 PolarHBondContact O-N 3.4Å; H387-S391 WeakPolarHBondContact O-CB 3.47Å; H387-S391 PolarHBondContact O-N 2.95Å; H387-S391 PolarHBondContact O-OG 3.36Å; H387-V431 HydrophobicContact CB-CB 4.5Å; H387-V431 HydrophobicContact CB-CG1 3.8Å; H387-V431 HydrophobicContact CB-CG2 3.89Å; H387-L434 HydrophobicContact CB-CD2 4.37Å; H387-L434 WeakPolarHBondContact ND1-CD2 3.49Å
388I95.8Very high93.6Very high0 Ų022.4 Ų22.40%012%0.115CC..Hα-helixtrans-64.8-48176.3-68.4170.1000110V384 M385 D386 D390 S391 F392 V431 A435 V500 T504V384-I388 HydrophobicContact CG1-CD1 3.67Å; V384-I388 HydrophobicContact CG1-CG1 4.2Å; V384-I388 WeakPolarHBondContact O-CG1 3.12Å; V384-I388 PolarHBondContact O-N 2.85Å; M385-I388 PolarHBondContact O-N 3.08Å; M385-I388 HydrophobicContact SD-CD1 3.94Å; D386-I388 PolarHBondContact O-N 3.46Å; I388-D390 PolarHBondContact O-N 3.33Å; I388-S391 PolarHBondContact O-N 2.91Å; I388-F392 HydrophobicContact CG2-CD2 4.32Å; I388-F392 WeakPolarHBondContact O-CB 3.35Å; I388-F392 PolarHBondContact O-N 3.15Å; I388-V431 HydrophobicContact CB-CG1 4.46Å; I388-V431 HydrophobicContact CG1-CG1 3.68Å; I388-A435 HydrophobicContact CD1-CB 4.15Å; I388-V500 HydrophobicContact CD1-CG1 3.57Å; I388-V500 HydrophobicContact CG1-CG1 3.99Å; I388-V500 HydrophobicContact CG2-CG1 4.45Å; I388-T504 HydrophobicContact CD1-CG2 3.6Å
389S93.6Very high94Very high1 Ų121.6 Ų21.61%0.00711%0.112CC..Hα-helixtrans-60.2-34.9-177.3-164.20000111.9M385 D386 L393 H516 R546M385-S389 WeakPolarHBondContact O-CB 3.34Å; M385-S389 PolarHBondContact O-N 2.9Å; D386-S389 PolarHBondContact O-N 2.96Å; S389-L393 WeakPolarHBondContact O-CB 3.27Å; S389-H516 PolarHBondContact OG-ND1 3.28Å; S389-R546 VanDerWaalsContact C-NH1 3.32Å; S389-R546 PolarHBondContact O-NH1 3.04Å; S389-R546 VanDerWaalsContact O-NH1 3.11Å; S389-R546 PolarHBondContact OG-NH1 3.49Å
390D93.1Very high94.2Very high47 Ų4725.1 Ų25.125%0.25113%0.131SC..Hα-helixtrans-86.8-43.7177.7-68.7-16.2000113R324 D386 I388 H516 R546R324-D390 IonicContact CZ-OD2 3.44Å; R324-D390 IonicContact NH1-OD2 2.75Å; R324-D390 PolarHBondContact NH1-OD2 3.43Å; R324-D390 IonicContact NH2-OD1 3.29Å; R324-D390 PolarHBondContact NH2-OD1 3.16Å; R324-D390 IonicContact NH2-OD2 2.68Å; R324-D390 PolarHBondContact NH2-OD2 3.17Å; D386-D390 PolarHBondContact O-N 3.34Å; I388-D390 PolarHBondContact O-N 3.33Å; D390-H516 IonicContact OD1-CE1 2.82Å; D390-H516 IonicContact OD1-ND1 3.66Å; D390-R546 IonicContact OD1-CZ 3.89Å; D390-R546 VanDerWaalsContact OD1-CZ 3.26Å; D390-R546 IonicContact OD1-NH1 3.97Å; D390-R546 PolarHBondContact OD1-NH1 2.81Å; D390-R546 IonicContact OD1-NH2 3.9Å; D390-R546 PolarHBondContact OD1-NH2 2.95Å
391S93.6Very high94.3Very high14 Ų1427.5 Ų27.510%0.09815%0.146CC..Hα-helixtrans-80.3-27.6-172-52.90000113.6H387 I388 L428 V431H387-S391 WeakPolarHBondContact O-CB 3.47Å; H387-S391 PolarHBondContact O-N 2.95Å; H387-S391 PolarHBondContact O-OG 3.36Å; I388-S391 PolarHBondContact O-N 2.91Å; S391-L428 VanDerWaalsContact O-CD2 3.26Å; S391-L428 WeakPolarHBondContact O-CD2 3.49Å; S391-V431 WeakPolarHBondContact OG-CG2 3.24Å
392F94.3Very high94.5Very high3 Ų324.6 Ų24.61%0.01314%0.135CC..THydrogen-bonded Turntrans-100.515.6179.3-72.9-98.9000113.2I388 T395 L428 V431 A432 L496 T497 V500 R549I388-F392 HydrophobicContact CG2-CD2 4.32Å; I388-F392 WeakPolarHBondContact O-CB 3.35Å; I388-F392 PolarHBondContact O-N 3.15Å; F392-T395 HydrophobicContact CB-CG2 4.42Å; F392-T395 HydrophobicContact CD1-CG2 4.44Å; F392-L428 HydrophobicContact CD1-CD2 3.91Å; F392-L428 HydrophobicContact CD2-CD2 4.17Å; F392-L428 HydrophobicContact CE1-CD2 3.89Å; F392-L428 HydrophobicContact CE2-CD2 4.13Å; F392-L428 HydrophobicContact CG-CD2 4.06Å; F392-L428 HydrophobicContact CZ-CB 4.45Å; F392-L428 HydrophobicContact CZ-CD2 4Å; F392-V431 HydrophobicContact CD2-CG1 4.27Å; F392-V431 HydrophobicContact CE2-CB 4.13Å; F392-V431 HydrophobicContact CE2-CG1 3.85Å; F392-A432 HydrophobicContact CZ-CB 4.48Å; F392-L496 HydrophobicContact CE1-CD2 4.13Å; F392-L496 HydrophobicContact CE1-CG 4.04Å; F392-L496 HydrophobicContact CZ-CD2 4.1Å; F392-L496 HydrophobicContact CZ-CG 4.17Å; F392-T497 HydrophobicContact CD1-CG2 4.01Å; F392-T497 WeakPolarHBondContact CD1-OG1 3.19Å; F392-V500 HydrophobicContact CZ-CG2 4.15Å; F392-R549 PolarHBondContact O-NH1 2.98Å
393L90Very high94.7Very high32 Ų3224.4 Ų24.417%0.16813%0.134CC..SBendtrans-77.2-56.8-179.4-169.558.2000112.4S389 A542 R546S389-L393 WeakPolarHBondContact O-CB 3.27Å; L393-A542 HydrophobicContact CD2-CB 3.92Å; L393-R546 HydrophobicContact CD1-CB 4.34Å; L393-R546 HydrophobicContact CD1-CG 3.66Å; L393-R546 VanDerWaalsContact CD1-N 3.32Å; L393-R546 HydrophobicContact CD2-CG 4.21Å
394E86.1Confident94.9Very high93 Ų9330 Ų3044%0.43516%0.16SC..SBendtrans-119.565.5-174.7-67.1-169.9171.900111.7N396 V397E394-N396 VanDerWaalsContact C-N 3.27Å; E394-N396 PolarHBondContact O-N 2.91Å; E394-V397 HydrophobicContact CB-CG2 4.16Å
395T91.2Very high95Very high20 Ų2030.2 Ų30.212%0.12316%0.162CC..THydrogen-bonded Turntrans-73.8-14.7-168.659.30000115.2F392 H424 L428 V493F392-T395 HydrophobicContact CB-CG2 4.42Å; F392-T395 HydrophobicContact CD1-CG2 4.44Å; T395-H424 PolarHBondContact O-CE1 3.16Å; T395-H424 VanDerWaalsContact O-CE1 3.27Å; T395-L428 HydrophobicContact CG2-CD2 4.12Å; T395-V493 HydrophobicContact CG2-CG1 4.04Å
396N93.6Very high95.1Very high62 Ų6230 Ų3033%0.33216%0.161SC..THydrogen-bonded Turntrans-102.8-19-174.1-67.4-39.5000114.4E394 L399 L400E394-N396 VanDerWaalsContact C-N 3.27Å; E394-N396 PolarHBondContact O-N 2.91Å; N396-L399 WeakPolarHBondContact O-CB 3.45Å; N396-L399 PolarHBondContact O-N 3.46Å; N396-L399 VanDerWaalsContact O-N 3.11Å; N396-L400 WeakPolarHBondContact O-CG 3.42Å; N396-L400 PolarHBondContact O-N 2.9Å
397V94.1Very high95.2Very high70 Ų7035.1 Ų35.142%0.42418%0.183SC..Hα-helixtrans-58.4-47.7-173.7174.90000112.1E394 L399 L400 V401E394-V397 HydrophobicContact CB-CG2 4.16Å; V397-L399 VanDerWaalsContact C-N 3.25Å; V397-L399 PolarHBondContact O-N 3.34Å; V397-L400 PolarHBondContact O-N 2.87Å; V397-L400 VanDerWaalsContact O-N 3.15Å; V397-V401 HydrophobicContact CG1-CG2 4.31Å; V397-V401 WeakPolarHBondContact O-CG2 3.38Å; V397-V401 PolarHBondContact O-N 3.45Å; V397-V401 VanDerWaalsContact O-N 3.09Å
398P96.6Very high95.3Very high22 Ų2238.7 Ų38.714%0.14321%0.208CC..Hα-helixtrans-60.4-32.6178-26.237.3000113.8L402 F421 H424P398-L402 VanDerWaalsContact O-CB 3.31Å; P398-L402 WeakPolarHBondContact O-CB 3.37Å; P398-L402 PolarHBondContact O-N 3.01Å; P398-F421 HydrophobicContact CB-CB 4.45Å; P398-F421 HydrophobicContact CB-CD2 4.21Å; P398-H424 HydrophobicContact CB-CB 4.33Å; P398-H424 HydrophobicContact CG-CB 3.99Å
399L98.4Very high95.3Very high0 Ų040 Ų400%022%0.221CC..Hα-helixtrans-68.7-45.7176.1178.169.1000111.3N396 V397 L402 I403 F421 V462 K486 W489 E490N396-L399 WeakPolarHBondContact O-CB 3.45Å; N396-L399 PolarHBondContact O-N 3.46Å; N396-L399 VanDerWaalsContact O-N 3.11Å; V397-L399 VanDerWaalsContact C-N 3.25Å; V397-L399 PolarHBondContact O-N 3.34Å; L399-L402 PolarHBondContact O-N 3.29Å; L399-I403 HydrophobicContact CD1-CD1 3.97Å; L399-I403 HydrophobicContact CD1-CG1 4.44Å; L399-I403 HydrophobicContact CG-CD1 3.86Å; L399-I403 VanDerWaalsContact O-CG1 3.28Å; L399-I403 WeakPolarHBondContact O-CG1 3.3Å; L399-I403 PolarHBondContact O-N 2.9Å; L399-F421 HydrophobicContact CB-CD2 4.31Å; L399-F421 HydrophobicContact CB-CE2 3.98Å; L399-F421 HydrophobicContact CD1-CE2 3.88Å; L399-F421 HydrophobicContact CD1-CZ 4.28Å; L399-V462 HydrophobicContact CD1-CG1 3.49Å; L399-V462 VanDerWaalsContact CD1-CG1 3.49Å; L399-K486 HydrophobicContact CD2-CG 3.72Å; L399-K486 HydrophobicContact CG-CG 4.37Å; L399-W489 HydrophobicContact CD2-CG 4.35Å; L399-E490 HydrophobicContact CD2-CG 3.9Å
400L97.8Very high95.3Very high86 Ų8643 Ų4345%0.4524%0.238SC..Hα-helixtrans-64.9-44.2-176.9-67.1175.7000111.5N396 V397 I403 E404N396-L400 WeakPolarHBondContact O-CG 3.42Å; N396-L400 PolarHBondContact O-N 2.9Å; V397-L400 PolarHBondContact O-N 2.87Å; V397-L400 VanDerWaalsContact O-N 3.15Å; L400-I403 PolarHBondContact O-N 3.17Å; L400-E404 PolarHBondContact O-N 3.41Å
401V97.2Very high95.3Very high52 Ų5245.3 Ų45.332%0.31525%0.247SC..Hα-helixtrans-64.8-40.5177.7179.70000111.2V397 I403 E404 A405 Y417V397-V401 HydrophobicContact CG1-CG2 4.31Å; V397-V401 WeakPolarHBondContact O-CG2 3.38Å; V397-V401 PolarHBondContact O-N 3.45Å; V397-V401 VanDerWaalsContact O-N 3.09Å; V401-I403 VanDerWaalsContact C-N 3.35Å; V401-I403 PolarHBondContact O-N 3.18Å; V401-E404 PolarHBondContact O-N 3.13Å; V401-A405 PolarHBondContact O-N 3.24Å; V401-Y417 HydrophobicContact CG1-CD1 3.6Å; V401-Y417 HydrophobicContact CG1-CD2 3.69Å; V401-Y417 HydrophobicContact CG1-CE1 3.36Å; V401-Y417 HydrophobicContact CG1-CE2 3.41Å; V401-Y417 VanDerWaalsContact CG1-CE2 3.41Å; V401-Y417 HydrophobicContact CG1-CG 3.78Å
402L98.4Very high95.4Very high0 Ų051.6 Ų51.60%027%0.272CS..Hα-helixtrans-59-44173.117563.8000112.2P398 L399 A406 V414 A418 F421 A466P398-L402 VanDerWaalsContact O-CB 3.31Å; P398-L402 WeakPolarHBondContact O-CB 3.37Å; P398-L402 PolarHBondContact O-N 3.01Å; L399-L402 PolarHBondContact O-N 3.29Å; L402-A406 WeakPolarHBondContact O-CB 3.31Å; L402-A406 PolarHBondContact O-N 3.14Å; L402-V414 HydrophobicContact CD1-CG1 3.95Å; L402-A418 HydrophobicContact CD1-CB 4.23Å; L402-F421 HydrophobicContact CD2-CB 4.17Å; L402-F421 HydrophobicContact CD2-CD1 4.17Å; L402-F421 HydrophobicContact CD2-CD2 4.46Å; L402-F421 HydrophobicContact CD2-CG 4.01Å; L402-A466 HydrophobicContact CD1-CB 3.97Å; L402-A466 HydrophobicContact CD2-CB 4.05Å; L402-A466 HydrophobicContact CG-CB 3.82Å
403I98.3Very high95.6Very high6 Ų654.2 Ų54.23%0.03128%0.284CS..Hα-helixtrans-68.7-38.9179.8-70.2170.4000111.2L399 L400 V401 A406 K407 M482 K486L399-I403 HydrophobicContact CD1-CD1 3.97Å; L399-I403 HydrophobicContact CD1-CG1 4.44Å; L399-I403 HydrophobicContact CG-CD1 3.86Å; L399-I403 VanDerWaalsContact O-CG1 3.28Å; L399-I403 WeakPolarHBondContact O-CG1 3.3Å; L399-I403 PolarHBondContact O-N 2.9Å; L400-I403 PolarHBondContact O-N 3.17Å; V401-I403 VanDerWaalsContact C-N 3.35Å; V401-I403 PolarHBondContact O-N 3.18Å; I403-A406 WeakPolarHBondContact O-CB 3.38Å; I403-A406 PolarHBondContact O-N 2.97Å; I403-K407 HydrophobicContact CG2-CD 4.21Å; I403-K407 HydrophobicContact CG2-CG 4.43Å; I403-K407 WeakPolarHBondContact O-CG 3.37Å; I403-K407 PolarHBondContact O-N 3.19Å; I403-M482 HydrophobicContact CD1-CE 3.87Å; I403-M482 HydrophobicContact CG1-CE 3.75Å; I403-M482 HydrophobicContact CG1-CG 4.2Å; I403-M482 HydrophobicContact CG1-SD 4.19Å; I403-K486 HydrophobicContact CD1-CB 3.93Å; I403-K486 HydrophobicContact CD1-CD 3.69Å; I403-K486 HydrophobicContact CD1-CG 3.58Å
404E97.9Very high95.9Very high117 Ų11752.7 Ų52.755%0.54728%0.276SS..Hα-helixtrans-65.7-44.1179.1-167.655.4-149.400111.5L400 V401 A406 K407 S408L400-E404 PolarHBondContact O-N 3.41Å; V401-E404 PolarHBondContact O-N 3.13Å; E404-A406 VanDerWaalsContact C-N 3.25Å; E404-A406 PolarHBondContact O-N 2.97Å; E404-K407 PolarHBondContact O-N 3.39Å; E404-S408 PolarHBondContact O-N 3.06Å
405A97.8Very high96.4Very high4 Ų454.4 Ų54.43%0.03328%0.282CS..Hα-helixtrans-60.3-35.1171.300000112.5V401 S408 G409 N410 E413 V414 Y417V401-A405 PolarHBondContact O-N 3.24Å; A405-S408 PolarHBondContact O-OG 3.2Å; A405-G409 PolarHBondContact O-N 2.99Å; A405-N410 PolarHBondContact O-N 3.46Å; A405-E413 HydrophobicContact CB-CB 4.35Å; A405-E413 HydrophobicContact CB-CG 3.81Å; A405-V414 VanDerWaalsContact C-CG2 3.41Å; A405-V414 HydrophobicContact CB-CG2 3.75Å; A405-V414 WeakPolarHBondContact O-CG2 3.39Å; A405-Y417 HydrophobicContact CB-CD2 3.91Å; A405-Y417 HydrophobicContact CB-CE2 4.4Å
406A98.2Very high96.7Very high0 Ų058.4 Ų58.40%030%0.3CS..Hα-helixtrans-70-39.1176.100000112.4L402 I403 E404 S408 G409 V414 A466 L469 A470L402-A406 WeakPolarHBondContact O-CB 3.31Å; L402-A406 PolarHBondContact O-N 3.14Å; I403-A406 WeakPolarHBondContact O-CB 3.38Å; I403-A406 PolarHBondContact O-N 2.97Å; E404-A406 VanDerWaalsContact C-N 3.25Å; E404-A406 PolarHBondContact O-N 2.97Å; A406-S408 VanDerWaalsContact C-N 3.32Å; A406-S408 PolarHBondContact O-N 2.82Å; A406-G409 PolarHBondContact O-N 3.06Å; A406-V414 HydrophobicContact CB-CG2 4.05Å; A406-A466 HydrophobicContact CB-CB 4.17Å; A406-A466 WeakPolarHBondContact CB-O 3.38Å; A406-L469 HydrophobicContact CB-CB 4.13Å; A406-L469 HydrophobicContact CB-CD2 4Å; A406-L469 HydrophobicContact CB-CG 4.11Å; A406-A470 HydrophobicContact CB-CB 4.37Å; A406-A470 WeakPolarHBondContact O-CA 3.49Å
407K97.9Very high97Very high107 Ų10759.3 Ų59.347%0.46530%0.299SS..Hα-helixtrans-66.3-33.3176.1-74.2174.2179.6173.30112.6I403 E404 G409 L469 P473I403-K407 HydrophobicContact CG2-CD 4.21Å; I403-K407 HydrophobicContact CG2-CG 4.43Å; I403-K407 WeakPolarHBondContact O-CG 3.37Å; I403-K407 PolarHBondContact O-N 3.19Å; E404-K407 PolarHBondContact O-N 3.39Å; K407-G409 PolarHBondContact O-N 3.27Å; K407-L469 HydrophobicContact CG-CD2 3.94Å; K407-P473 WeakPolarHBondContact O-CB 3.4Å
408S97Very high97.2Very high76 Ų7656.3 Ų56.353%0.53128%0.281SS..THydrogen-bonded Turntrans-72.9-12.7175.775.80000113.3E404 A405 A406 N410E404-S408 PolarHBondContact O-N 3.06Å; A405-S408 PolarHBondContact O-OG 3.2Å; A406-S408 VanDerWaalsContact C-N 3.32Å; A406-S408 PolarHBondContact O-N 2.82Å; S408-N410 VanDerWaalsContact C-N 3.3Å; S408-N410 WeakPolarHBondContact OG-CB 3.27Å; S408-N410 PolarHBondContact OG-N 3.06Å
409G96.1Very high97.2Very high27 Ų2760.7 Ų60.728%0.27830%0.3SS..THydrogen-bonded Turntrans75.815.7-17700000113.8A405 A406 K407 E411 A470A405-G409 PolarHBondContact O-N 2.99Å; A406-G409 PolarHBondContact O-N 3.06Å; K407-G409 PolarHBondContact O-N 3.27Å; G409-E411 PolarHBondContact O-N 2.98Å; G409-E411 VanDerWaalsContact O-N 3.13Å; G409-A470 WeakPolarHBondContact CA-O 3.48Å
410N94.7Very high97.2Very high66 Ų6664 Ų6435%0.35332%0.32SS..  trans-8581.7-177.5-169.3-6.5000111.6A405 S408 K412 E413 V414A405-N410 PolarHBondContact O-N 3.46Å; S408-N410 VanDerWaalsContact C-N 3.3Å; S408-N410 WeakPolarHBondContact OG-CB 3.27Å; S408-N410 PolarHBondContact OG-N 3.06Å; N410-K412 PolarHBondContact O-N 3.27Å; N410-K412 VanDerWaalsContact O-N 3.11Å; N410-E413 HydrophobicContact CB-CB 3.99Å; N410-E413 VanDerWaalsContact ND2-CB 3.27Å; N410-E413 WeakPolarHBondContact ND2-CB 3.47Å; N410-E413 PolarHBondContact ND2-OE2 3.12Å; N410-E413 PolarHBondContact O-N 3.04Å; N410-E413 PolarHBondContact OD1-N 3.33Å; N410-V414 VanDerWaalsContact O-CG2 3.32Å; N410-V414 WeakPolarHBondContact O-CG2 3.45Å; N410-V414 PolarHBondContact O-N 2.69Å
411E93.2Very high97.2Very high94 Ų9459.9 Ų59.944%0.43930%0.298SS..Hα-helixtrans-57.3-29.1-176.9-69.9-170.5-169.300114.6G409 K415 A470G409-E411 PolarHBondContact O-N 2.98Å; G409-E411 VanDerWaalsContact O-N 3.13Å; E411-K415 WeakPolarHBondContact O-CG 3.29Å; E411-K415 PolarHBondContact O-N 3.21Å; E411-A470 HydrophobicContact CG-CB 4.16Å
412K95.3Very high97.3Very high146 Ų14663.5 Ų63.564%0.63531%0.306SS*.Hα-helixtrans-68.8-51.2178.4-175.9-170.7172.6-159.30110.2N410 V414 K415 E416N410-K412 PolarHBondContact O-N 3.27Å; N410-K412 VanDerWaalsContact O-N 3.11Å; K412-V414 VanDerWaalsContact C-N 3.33Å; K412-V414 PolarHBondContact O-N 3.13Å; K412-K415 WeakPolarHBondContact O-CB 3.48Å; K412-K415 PolarHBondContact O-N 2.92Å; K412-K415 VanDerWaalsContact O-N 3.12Å; K412-E416 VanDerWaalsContact CE-OE1 3.25Å; K412-E416 WeakPolarHBondContact CE-OE1 3.49Å; K412-E416 IonicContact NZ-OE1 2.66Å; K412-E416 PolarHBondContact O-N 3.17Å
413E96.9Very high97.2Very high58 Ų5868.3 Ų68.327%0.27133%0.329SS..Hα-helixtrans-64.9-37.1179.4-177.6174.8-142.900111.6A405 N410 K415 E416 Y417A405-E413 HydrophobicContact CB-CB 4.35Å; A405-E413 HydrophobicContact CB-CG 3.81Å; N410-E413 HydrophobicContact CB-CB 3.99Å; N410-E413 VanDerWaalsContact ND2-CB 3.27Å; N410-E413 WeakPolarHBondContact ND2-CB 3.47Å; N410-E413 PolarHBondContact ND2-OE2 3.12Å; N410-E413 PolarHBondContact O-N 3.04Å; N410-E413 PolarHBondContact OD1-N 3.33Å; E413-K415 VanDerWaalsContact C-N 3.26Å; E413-K415 PolarHBondContact O-N 3.1Å; E413-E416 PolarHBondContact O-N 3.38Å; E413-E416 VanDerWaalsContact O-N 3.15Å; E413-Y417 HydrophobicContact CG-CD2 3.51Å; E413-Y417 HydrophobicContact CG-CE2 3.3Å; E413-Y417 WeakPolarHBondContact O-CD2 3.5Å; E413-Y417 PolarHBondContact O-N 2.97Å
414V97.9Very high97.2Very high0 Ų069.8 Ų69.80%034%0.336CS..Hα-helixtrans-59.5-36.3172.5171.40000111.9L402 A405 A406 N410 K412 A418 A466 L467 A470L402-V414 HydrophobicContact CD1-CG1 3.95Å; A405-V414 VanDerWaalsContact C-CG2 3.41Å; A405-V414 HydrophobicContact CB-CG2 3.75Å; A405-V414 WeakPolarHBondContact O-CG2 3.39Å; A406-V414 HydrophobicContact CB-CG2 4.05Å; N410-V414 VanDerWaalsContact O-CG2 3.32Å; N410-V414 WeakPolarHBondContact O-CG2 3.45Å; N410-V414 PolarHBondContact O-N 2.69Å; K412-V414 VanDerWaalsContact C-N 3.33Å; K412-V414 PolarHBondContact O-N 3.13Å; V414-A418 WeakPolarHBondContact O-CB 3.34Å; V414-A418 PolarHBondContact O-N 2.9Å; V414-A466 HydrophobicContact CG1-CB 4.39Å; V414-L467 HydrophobicContact CG1-CD2 3.82Å; V414-L467 HydrophobicContact CG1-CG 4.34Å; V414-A470 HydrophobicContact CB-CB 4.39Å; V414-A470 HydrophobicContact CG1-CB 4.37Å; V414-A470 HydrophobicContact CG2-CB 3.86Å
415K96.6Very high97.2Very high129 Ų12964.2 Ų64.256%0.56131%0.31SS*.Hα-helixtrans-69.7-38.7176.1-72.6169.7-175.5169.70112.1E411 K412 E413 Q419 L467E411-K415 WeakPolarHBondContact O-CG 3.29Å; E411-K415 PolarHBondContact O-N 3.21Å; K412-K415 WeakPolarHBondContact O-CB 3.48Å; K412-K415 PolarHBondContact O-N 2.92Å; K412-K415 VanDerWaalsContact O-N 3.12Å; E413-K415 VanDerWaalsContact C-N 3.26Å; E413-K415 PolarHBondContact O-N 3.1Å; K415-Q419 PolarHBondContact O-N 3.35Å; K415-L467 HydrophobicContact CG-CD2 4.43Å
416E97.8Very high97.2Very high105 Ų10568 Ų6849%0.49133%0.329SS..Hα-helixtrans-65.7-50.6176.2-67.6170-175.500110.3K412 E413 A418 Q419 V420K412-E416 VanDerWaalsContact CE-OE1 3.25Å; K412-E416 WeakPolarHBondContact CE-OE1 3.49Å; K412-E416 IonicContact NZ-OE1 2.66Å; K412-E416 PolarHBondContact O-N 3.17Å; E413-E416 PolarHBondContact O-N 3.38Å; E413-E416 VanDerWaalsContact O-N 3.15Å; E416-A418 VanDerWaalsContact C-N 3.32Å; E416-A418 PolarHBondContact O-N 3.38Å; E416-Q419 WeakPolarHBondContact O-CB 3.4Å; E416-Q419 PolarHBondContact O-N 3.27Å; E416-Q419 VanDerWaalsContact O-N 3.09Å; E416-V420 PolarHBondContact O-N 3.39Å
417Y98.2Very high97.1Very high81 Ų8169.9 Ų69.932%0.31834%0.338SS..Hα-helixtrans-69.7-25.7176.4-70.5-53.2000114V401 A405 E413 Q419 V420 F421V401-Y417 HydrophobicContact CG1-CD1 3.6Å; V401-Y417 HydrophobicContact CG1-CD2 3.69Å; V401-Y417 HydrophobicContact CG1-CE1 3.36Å; V401-Y417 HydrophobicContact CG1-CE2 3.41Å; V401-Y417 VanDerWaalsContact CG1-CE2 3.41Å; V401-Y417 HydrophobicContact CG1-CG 3.78Å; A405-Y417 HydrophobicContact CB-CD2 3.91Å; A405-Y417 HydrophobicContact CB-CE2 4.4Å; E413-Y417 HydrophobicContact CG-CD2 3.51Å; E413-Y417 HydrophobicContact CG-CE2 3.3Å; E413-Y417 WeakPolarHBondContact O-CD2 3.5Å; E413-Y417 PolarHBondContact O-N 2.97Å; Y417-Q419 PolarHBondContact O-N 3.17Å; Y417-V420 HydrophobicContact CD1-CG2 4.43Å; Y417-V420 PolarHBondContact O-N 2.96Å; Y417-F421 VanDerWaalsContact O-CB 3.26Å; Y417-F421 WeakPolarHBondContact O-CB 3.37Å; Y417-F421 PolarHBondContact O-N 2.56Å
418A98.3Very high97.1Very high6 Ų664.8 Ų64.85%0.0532%0.315CS..Hα-helixtrans-65-30.517100000112L402 V414 E416 R422 I463L402-A418 HydrophobicContact CD1-CB 4.23Å; V414-A418 WeakPolarHBondContact O-CB 3.34Å; V414-A418 PolarHBondContact O-N 2.9Å; E416-A418 VanDerWaalsContact C-N 3.32Å; E416-A418 PolarHBondContact O-N 3.38Å; A418-R422 VanDerWaalsContact O-CB 3.3Å; A418-R422 WeakPolarHBondContact O-CB 3.41Å; A418-R422 PolarHBondContact O-N 3.21Å; A418-R422 VanDerWaalsContact O-N 3.1Å; A418-I463 HydrophobicContact CB-CD1 4.26Å; A418-I463 HydrophobicContact CB-CG1 4.12Å; A418-I463 HydrophobicContact CB-CG2 3.77Å
419Q98Very high97.1Very high115 Ų11561.8 Ų61.854%0.53729%0.294SS..Hα-helixtrans-69.4-49.7171.7-179.5178.6-16.500110.6K415 E416 Y417 F421 R422 E423K415-Q419 PolarHBondContact O-N 3.35Å; E416-Q419 WeakPolarHBondContact O-CB 3.4Å; E416-Q419 PolarHBondContact O-N 3.27Å; E416-Q419 VanDerWaalsContact O-N 3.09Å; Y417-Q419 PolarHBondContact O-N 3.17Å; Q419-F421 VanDerWaalsContact C-N 3.31Å; Q419-F421 PolarHBondContact O-N 3.08Å; Q419-R422 WeakPolarHBondContact O-CB 3.37Å; Q419-R422 PolarHBondContact O-N 2.95Å; Q419-R422 VanDerWaalsContact O-N 3.08Å; Q419-E423 HydrophobicContact CG-CG 4.45Å; Q419-E423 VanDerWaalsContact CG-OE1 3.28Å; Q419-E423 WeakPolarHBondContact CG-OE1 3.28Å; Q419-E423 PolarHBondContact NE2-OE1 3.46Å; Q419-E423 WeakPolarHBondContact O-CG 3.5Å; Q419-E423 PolarHBondContact O-N 3.23Å
420V97.8Very high97.1Very high68 Ų6865.2 Ų65.241%0.41230%0.303SS..Hα-helixtrans-56.6-45.7177178.40000111.4E416 Y417 R422 E423 H424E416-V420 PolarHBondContact O-N 3.39Å; Y417-V420 HydrophobicContact CD1-CG2 4.43Å; Y417-V420 PolarHBondContact O-N 2.96Å; V420-R422 VanDerWaalsContact C-N 3.33Å; V420-R422 PolarHBondContact O-N 3.06Å; V420-E423 PolarHBondContact O-N 3.33Å; V420-H424 WeakPolarHBondContact O-CB 3.45Å; V420-H424 PolarHBondContact O-N 2.75Å
421F98.4Very high97.2Very high0 Ų062.1 Ų62.10%029%0.286CS..Hα-helixtrans-61.5-40.3176.6177-100.4000112.3P398 L399 L402 Y417 Q419 H424 A425 C459 V462 I463 W489P398-F421 HydrophobicContact CB-CB 4.45Å; P398-F421 HydrophobicContact CB-CD2 4.21Å; L399-F421 HydrophobicContact CB-CD2 4.31Å; L399-F421 HydrophobicContact CB-CE2 3.98Å; L399-F421 HydrophobicContact CD1-CE2 3.88Å; L399-F421 HydrophobicContact CD1-CZ 4.28Å; L402-F421 HydrophobicContact CD2-CB 4.17Å; L402-F421 HydrophobicContact CD2-CD1 4.17Å; L402-F421 HydrophobicContact CD2-CD2 4.46Å; L402-F421 HydrophobicContact CD2-CG 4.01Å; Y417-F421 VanDerWaalsContact O-CB 3.26Å; Y417-F421 WeakPolarHBondContact O-CB 3.37Å; Y417-F421 PolarHBondContact O-N 2.56Å; Q419-F421 VanDerWaalsContact C-N 3.31Å; Q419-F421 PolarHBondContact O-N 3.08Å; F421-H424 PolarHBondContact O-N 3.24Å; F421-A425 WeakPolarHBondContact O-CB 3.22Å; F421-A425 PolarHBondContact O-N 2.89Å; F421-C459 HydrophobicContact CE1-CB 4.49Å; F421-V462 HydrophobicContact CE1-CB 3.96Å; F421-V462 HydrophobicContact CE1-CG1 3.95Å; F421-V462 HydrophobicContact CE2-CG1 4.45Å; F421-V462 HydrophobicContact CZ-CB 4.02Å; F421-V462 HydrophobicContact CZ-CG1 3.73Å; F421-V462 HydrophobicContact CZ-CG2 4.37Å; F421-I463 HydrophobicContact CD1-CD1 4.17Å; F421-I463 HydrophobicContact CD1-CG1 3.87Å; F421-I463 HydrophobicContact CE1-CG1 4.27Å; F421-W489 HydrophobicContact CE1-CH2 4.24Å; F421-W489 HydrophobicContact CE1-CZ2 4.36Å; F421-W489 HydrophobicContact CE1-CZ3 4.35Å; F421-W489 HydrophobicContact CE2-CD2 4.12Å; F421-W489 AromaticContact CE2-CE2 3.54Å; F421-W489 HydrophobicContact CE2-CH2 4.35Å; F421-W489 AromaticContact CE2-CZ2 3.67Å; F421-W489 HydrophobicContact CE2-CZ2 3.67Å; F421-W489 AromaticContact CE2-NE1 3.69Å; F421-W489 AromaticContact CZ-CD2 3.59Å; F421-W489 HydrophobicContact CZ-CD2 3.59Å; F421-W489 AromaticContact CZ-CE2 3.39Å; F421-W489 AromaticContact CZ-CE3 3.83Å; F421-W489 HydrophobicContact CZ-CE3 3.83Å; F421-W489 HydrophobicContact CZ-CG 4.27Å; F421-W489 AromaticContact CZ-CH2 3.71Å; F421-W489 HydrophobicContact CZ-CH2 3.71Å; F421-W489 AromaticContact CZ-CZ2 3.46Å; F421-W489 HydrophobicContact CZ-CZ2 3.46Å; F421-W489 VanDerWaalsContact CZ-CZ2 3.46Å; F421-W489 AromaticContact CZ-CZ3 3.9Å; F421-W489 HydrophobicContact CZ-CZ3 3.9Å; F421-W489 AromaticContact CZ-NE1 3.96Å
422R98.4Very high97.4Very high128 Ų12857.6 Ų57.648%0.48327%0.265SS..Hα-helixtrans-68-42.2177-173.5-175.4-56.4165.25.8112.1A418 Q419 V420 H424 A425 N426 I463A418-R422 VanDerWaalsContact O-CB 3.3Å; A418-R422 WeakPolarHBondContact O-CB 3.41Å; A418-R422 PolarHBondContact O-N 3.21Å; A418-R422 VanDerWaalsContact O-N 3.1Å; Q419-R422 WeakPolarHBondContact O-CB 3.37Å; Q419-R422 PolarHBondContact O-N 2.95Å; Q419-R422 VanDerWaalsContact O-N 3.08Å; V420-R422 VanDerWaalsContact C-N 3.33Å; V420-R422 PolarHBondContact O-N 3.06Å; R422-H424 VanDerWaalsContact C-N 3.32Å; R422-A425 PolarHBondContact O-N 2.95Å; R422-N426 WeakPolarHBondContact O-CB 3.25Å; R422-N426 PolarHBondContact O-N 3.22Å; R422-N426 PolarHBondContact O-ND2 2.8Å; R422-N426 PolarHBondContact O-OD1 2.79Å; R422-I463 HydrophobicContact CB-CD1 4.37Å
423E97.5Very high97.4Very high102 Ų10253.2 Ų53.248%0.47725%0.248SC..Hα-helixtrans-61.1-44175.8-72.7169.6-174.400110.7Q419 V420 N426 K427Q419-E423 HydrophobicContact CG-CG 4.45Å; Q419-E423 VanDerWaalsContact CG-OE1 3.28Å; Q419-E423 WeakPolarHBondContact CG-OE1 3.28Å; Q419-E423 PolarHBondContact NE2-OE1 3.46Å; Q419-E423 WeakPolarHBondContact O-CG 3.5Å; Q419-E423 PolarHBondContact O-N 3.23Å; V420-E423 PolarHBondContact O-N 3.33Å; E423-N426 PolarHBondContact O-N 2.69Å; E423-K427 WeakPolarHBondContact O-CB 3.42Å; E423-K427 PolarHBondContact O-N 2.88Å
424H97.4Very high97.3Very high36 Ų3651.7 Ų51.717%0.16724%0.242CC..Hα-helixtrans-62.3-45.7174178.2-102.2000112.6T395 P398 V420 F421 R422 N426 K427 L428T395-H424 PolarHBondContact O-CE1 3.16Å; T395-H424 VanDerWaalsContact O-CE1 3.27Å; P398-H424 HydrophobicContact CB-CB 4.33Å; P398-H424 HydrophobicContact CG-CB 3.99Å; V420-H424 WeakPolarHBondContact O-CB 3.45Å; V420-H424 PolarHBondContact O-N 2.75Å; F421-H424 PolarHBondContact O-N 3.24Å; R422-H424 VanDerWaalsContact C-N 3.32Å; H424-N426 VanDerWaalsContact C-N 3.34Å; H424-N426 PolarHBondContact O-N 2.94Å; H424-K427 PolarHBondContact O-N 3.5Å; H424-K427 VanDerWaalsContact O-N 3.16Å; H424-L428 WeakPolarHBondContact O-CG 3.49Å; H424-L428 PolarHBondContact O-N 2.95Å
425A98.2Very high97.2Very high0 Ų051.8 Ų51.80%024%0.242CC..Hα-helixtrans-57.2-46.6174.900000112.3F421 R422 K427 L428 V429 I455 C459 W489F421-A425 WeakPolarHBondContact O-CB 3.22Å; F421-A425 PolarHBondContact O-N 2.89Å; R422-A425 PolarHBondContact O-N 2.95Å; A425-K427 VanDerWaalsContact C-N 3.3Å; A425-K427 PolarHBondContact O-N 2.71Å; A425-L428 PolarHBondContact O-N 3.42Å; A425-V429 WeakPolarHBondContact O-CG2 3.47Å; A425-V429 PolarHBondContact O-N 3.17Å; A425-V429 VanDerWaalsContact O-N 3.14Å; A425-I455 HydrophobicContact CB-CG2 4.47Å; A425-C459 HydrophobicContact CB-CB 4.15Å; A425-W489 HydrophobicContact CB-CH2 3.58Å; A425-W489 HydrophobicContact CB-CZ2 4.19Å
426N97.6Very high97.1Very high83 Ų8345.6 Ų45.644%0.44422%0.216SC..Hα-helixtrans-61.6-40.5176.7-69.9-13.1000111R422 E423 H424 V429 E430R422-N426 WeakPolarHBondContact O-CB 3.25Å; R422-N426 PolarHBondContact O-N 3.22Å; R422-N426 PolarHBondContact O-ND2 2.8Å; R422-N426 PolarHBondContact O-OD1 2.79Å; E423-N426 PolarHBondContact O-N 2.69Å; H424-N426 VanDerWaalsContact C-N 3.34Å; H424-N426 PolarHBondContact O-N 2.94Å; N426-V429 PolarHBondContact O-N 3.39Å; N426-E430 WeakPolarHBondContact O-CB 3.29Å; N426-E430 PolarHBondContact O-N 2.69Å
427K96.1Very high96.9Very high41 Ų4141.7 Ų41.718%0.17820%0.2CC..Hα-helixtrans-65.5-41.4178.3-173.362.2-176.2175.80112.2C322 E423 H424 A425 V429 E430 V431C322-K427 VanDerWaalsContact SG-CE 3.59Å; E423-K427 WeakPolarHBondContact O-CB 3.42Å; E423-K427 PolarHBondContact O-N 2.88Å; H424-K427 PolarHBondContact O-N 3.5Å; H424-K427 VanDerWaalsContact O-N 3.16Å; A425-K427 VanDerWaalsContact C-N 3.3Å; A425-K427 PolarHBondContact O-N 2.71Å; K427-V429 VanDerWaalsContact C-N 3.31Å; K427-V429 PolarHBondContact O-N 3.5Å; K427-E430 IonicContact NZ-OE1 2.66Å; K427-E430 PolarHBondContact NZ-OE1 2.94Å; K427-E430 PolarHBondContact O-N 3.31Å; K427-V431 HydrophobicContact CD-CG2 4.14Å; K427-V431 HydrophobicContact CG-CG2 4.43Å; K427-V431 WeakPolarHBondContact O-CG2 3.43Å; K427-V431 PolarHBondContact O-N 2.95Å
428L97.8Very high96.6Very high0 Ų039.1 Ų39.10%019%0.191CC..Hα-helixtrans-57.9-44.8173.7-69177.4000111.5S391 F392 T395 H424 A425 A432 V493 L496S391-L428 VanDerWaalsContact O-CD2 3.26Å; S391-L428 WeakPolarHBondContact O-CD2 3.49Å; F392-L428 HydrophobicContact CD1-CD2 3.91Å; F392-L428 HydrophobicContact CD2-CD2 4.17Å; F392-L428 HydrophobicContact CE1-CD2 3.89Å; F392-L428 HydrophobicContact CE2-CD2 4.13Å; F392-L428 HydrophobicContact CG-CD2 4.06Å; F392-L428 HydrophobicContact CZ-CB 4.45Å; F392-L428 HydrophobicContact CZ-CD2 4Å; T395-L428 HydrophobicContact CG2-CD2 4.12Å; H424-L428 WeakPolarHBondContact O-CG 3.49Å; H424-L428 PolarHBondContact O-N 2.95Å; A425-L428 PolarHBondContact O-N 3.42Å; L428-A432 VanDerWaalsContact O-CB 3.24Å; L428-A432 WeakPolarHBondContact O-CB 3.39Å; L428-A432 PolarHBondContact O-N 2.9Å; L428-V493 HydrophobicContact CD1-CG1 4.49Å; L428-V493 HydrophobicContact CD1-CG2 4.34Å; L428-L496 HydrophobicContact CB-CD2 4.25Å
429V97.9Very high96.3Very high12 Ų1239.3 Ų39.37%0.07319%0.192CC..Hα-helixtrans-67.8-41.7178.5168.90000111.8A425 N426 K427 A432 N433 A452 I455A425-V429 WeakPolarHBondContact O-CG2 3.47Å; A425-V429 PolarHBondContact O-N 3.17Å; A425-V429 VanDerWaalsContact O-N 3.14Å; N426-V429 PolarHBondContact O-N 3.39Å; K427-V429 VanDerWaalsContact C-N 3.31Å; K427-V429 PolarHBondContact O-N 3.5Å; V429-A432 PolarHBondContact O-N 3.5Å; V429-N433 WeakPolarHBondContact CG1-ND2 3.24Å; V429-N433 WeakPolarHBondContact O-CB 3.43Å; V429-N433 PolarHBondContact O-N 2.93Å; V429-N433 PolarHBondContact O-ND2 2.9Å; V429-A452 HydrophobicContact CG1-CB 4.25Å; V429-A452 HydrophobicContact CG2-CB 4.26Å; V429-I455 HydrophobicContact CG2-CB 4.05Å; V429-I455 HydrophobicContact CG2-CG2 3.72Å
430E95.6Very high95.8Very high100 Ų10037.8 Ų37.847%0.46719%0.188SC..Hα-helixtrans-58.1-51.6175.4-177.7-164.4125.700110.9N426 K427 A432 N433 L434N426-E430 WeakPolarHBondContact O-CB 3.29Å; N426-E430 PolarHBondContact O-N 2.69Å; K427-E430 IonicContact NZ-OE1 2.66Å; K427-E430 PolarHBondContact NZ-OE1 2.94Å; K427-E430 PolarHBondContact O-N 3.31Å; E430-A432 PolarHBondContact O-N 3.49Å; E430-N433 PolarHBondContact O-N 3.32Å; E430-L434 WeakPolarHBondContact O-CB 3.47Å; E430-L434 PolarHBondContact O-N 3.29Å
431V96.4Very high95.3Very high0 Ų037.1 Ų37.10%018%0.182CC..Hα-helixtrans-67.5-37.4-179174.60000111.9H387 I388 S391 F392 K427 N433 L434 A435H387-V431 HydrophobicContact CB-CB 4.5Å; H387-V431 HydrophobicContact CB-CG1 3.8Å; H387-V431 HydrophobicContact CB-CG2 3.89Å; I388-V431 HydrophobicContact CB-CG1 4.46Å; I388-V431 HydrophobicContact CG1-CG1 3.68Å; S391-V431 WeakPolarHBondContact OG-CG2 3.24Å; F392-V431 HydrophobicContact CD2-CG1 4.27Å; F392-V431 HydrophobicContact CE2-CB 4.13Å; F392-V431 HydrophobicContact CE2-CG1 3.85Å; K427-V431 HydrophobicContact CD-CG2 4.14Å; K427-V431 HydrophobicContact CG-CG2 4.43Å; K427-V431 WeakPolarHBondContact O-CG2 3.43Å; K427-V431 PolarHBondContact O-N 2.95Å; V431-N433 PolarHBondContact O-N 3.47Å; V431-L434 WeakPolarHBondContact O-CB 3.46Å; V431-L434 PolarHBondContact O-N 3.33Å; V431-A435 PolarHBondContact O-N 3.35Å
432A97.1Very high94.8Very high0 Ų042 Ų420%021%0.205CC..Hα-helixtrans-61.9-42.1173.400000112.4F392 L428 V429 E430 L434 A435 C436 V448 L496 V500F392-A432 HydrophobicContact CZ-CB 4.48Å; L428-A432 VanDerWaalsContact O-CB 3.24Å; L428-A432 WeakPolarHBondContact O-CB 3.39Å; L428-A432 PolarHBondContact O-N 2.9Å; V429-A432 PolarHBondContact O-N 3.5Å; E430-A432 PolarHBondContact O-N 3.49Å; A432-L434 VanDerWaalsContact C-N 3.34Å; A432-A435 PolarHBondContact O-N 3.29Å; A432-C436 PolarHBondContact O-N 3.33Å; A432-C436 PolarHBondContact O-SG 2.97Å; A432-V448 HydrophobicContact CB-CG1 3.77Å; A432-L496 HydrophobicContact CB-CD1 3.76Å; A432-L496 HydrophobicContact CB-CD2 4.35Å; A432-L496 HydrophobicContact CB-CG 4.38Å; A432-V500 HydrophobicContact CB-CG2 3.8Å
433N95.1Very high94.2Very high53 Ų5341.7 Ų41.728%0.28321%0.209SC..Hα-helixtrans-70-32.5175-76.1-54.8000112.1V429 E430 V431 C436 S437V429-N433 WeakPolarHBondContact CG1-ND2 3.24Å; V429-N433 WeakPolarHBondContact O-CB 3.43Å; V429-N433 PolarHBondContact O-N 2.93Å; V429-N433 PolarHBondContact O-ND2 2.9Å; E430-N433 PolarHBondContact O-N 3.32Å; V431-N433 PolarHBondContact O-N 3.47Å; N433-C436 WeakPolarHBondContact O-CB 3.26Å; N433-C436 PolarHBondContact O-N 2.88Å; N433-S437 PolarHBondContact O-N 2.9Å
434L94.9Very high93.8Very high27 Ų2737.1 Ų37.114%0.14119%0.189CC..Hα-helixtrans-64.1-45.3173.1179.162.3000111.1M317 V384 H387 E430 V431 A432 C436 S437M317-L434 HydrophobicContact CE-CD1 4.05Å; M317-L434 HydrophobicContact CG-CD1 3.58Å; M317-L434 HydrophobicContact SD-CD1 3.73Å; V384-L434 HydrophobicContact CG2-CD1 4.34Å; V384-L434 HydrophobicContact CG2-CD2 4.16Å; V384-L434 HydrophobicContact CG2-CG 3.8Å; H387-L434 HydrophobicContact CB-CD2 4.37Å; H387-L434 WeakPolarHBondContact ND1-CD2 3.49Å; E430-L434 WeakPolarHBondContact O-CB 3.47Å; E430-L434 PolarHBondContact O-N 3.29Å; V431-L434 WeakPolarHBondContact O-CB 3.46Å; V431-L434 PolarHBondContact O-N 3.33Å; A432-L434 VanDerWaalsContact C-N 3.34Å; L434-C436 VanDerWaalsContact C-N 3.28Å; L434-C436 PolarHBondContact O-N 3.48Å; L434-S437 WeakPolarHBondContact O-CB 3.45Å; L434-S437 PolarHBondContact O-N 2.94Å; L434-S437 PolarHBondContact O-OG 3.39Å
435A95.8Very high93.6Very high1 Ų135.5 Ų35.51%0.00818%0.182CC..Hα-helixtrans-59.4-40.3172.800000112.1V384 I388 V431 A432 S437 I438 S439 V500 I503 T504V384-A435 HydrophobicContact CG1-CB 3.79Å; I388-A435 HydrophobicContact CD1-CB 4.15Å; V431-A435 PolarHBondContact O-N 3.35Å; A432-A435 PolarHBondContact O-N 3.29Å; A435-S437 VanDerWaalsContact C-N 3.28Å; A435-S437 PolarHBondContact O-N 3.38Å; A435-I438 WeakPolarHBondContact O-CG1 3.43Å; A435-S439 PolarHBondContact O-N 3.15Å; A435-V500 HydrophobicContact CB-CG1 4.24Å; A435-I503 HydrophobicContact CB-CD1 4.03Å; A435-T504 HydrophobicContact CB-CG2 4.46Å
436C95.3Very high93.1Very high0 Ų038.3 Ų38.30%019%0.194CC..Hα-helixtrans-59.1-38.8172.6-68.70000112.5G274 A432 N433 L434 I438 S439 V445 V448G274-C436 WeakPolarHBondContact CA-O 3.41Å; A432-C436 PolarHBondContact O-N 3.33Å; A432-C436 PolarHBondContact O-SG 2.97Å; N433-C436 WeakPolarHBondContact O-CB 3.26Å; N433-C436 PolarHBondContact O-N 2.88Å; L434-C436 VanDerWaalsContact C-N 3.28Å; L434-C436 PolarHBondContact O-N 3.48Å; C436-I438 VanDerWaalsContact C-N 3.25Å; C436-I438 PolarHBondContact O-N 3.39Å; C436-S439 PolarHBondContact O-N 2.68Å; C436-V445 HydrophobicContact CB-CG1 4.03Å; C436-V445 HydrophobicContact CB-CG2 4.2Å; C436-V448 VanDerWaalsContact SG-CB 3.57Å; C436-V448 WeakPolarHBondContact SG-CG1 3.49Å
437S93.3Very high92.8Very high23 Ų2338.9 Ų38.916%0.16120%0.197CC..Hα-helixtrans-62.4-29.2-172.779.20000114G274 E275 L276 A277 N433 L434 A435G274-S437 CarbonylContact C-O 3.51Å; G274-S437 WeakPolarHBondContact CA-O 3.47Å; E275-S437 PolarHBondContact N-O 3.48Å; L276-S437 CarbonylContact C-O 3.21Å; L276-S437 WeakPolarHBondContact CA-O 3.44Å; L276-S437 WeakPolarHBondContact CB-O 3.47Å; L276-S437 PolarHBondContact N-O 2.93Å; A277-S437 PolarHBondContact N-O 2.85Å; N433-S437 PolarHBondContact O-N 2.9Å; L434-S437 WeakPolarHBondContact O-CB 3.45Å; L434-S437 PolarHBondContact O-N 2.94Å; L434-S437 PolarHBondContact O-OG 3.39Å; A435-S437 VanDerWaalsContact C-N 3.28Å; A435-S437 PolarHBondContact O-N 3.38Å
438I91.8Very high92.8Very high27 Ų2736.9 Ų36.914%0.13819%0.188CC..Hα-helixtrans-104.2-3.3-178.556.5150.3000113.7L276 M317 L380 R381 V384 A435 C436L276-I438 HydrophobicContact CD2-CG2 4.08Å; M317-I438 HydrophobicContact CE-CG2 4.47Å; M317-I438 HydrophobicContact SD-CG2 4.43Å; L380-I438 HydrophobicContact CB-CG2 4.45Å; R381-I438 HydrophobicContact CB-CD1 4.23Å; R381-I438 HydrophobicContact CG-CD1 3.89Å; V384-I438 HydrophobicContact CB-CD1 3.68Å; V384-I438 HydrophobicContact CG1-CD1 4.05Å; V384-I438 HydrophobicContact CG2-CD1 3.32Å; V384-I438 HydrophobicContact CG2-CG1 3.78Å; V384-I438 HydrophobicContact CG2-CG2 4.41Å; A435-I438 WeakPolarHBondContact O-CG1 3.43Å; C436-I438 VanDerWaalsContact C-N 3.25Å; C436-I438 PolarHBondContact O-N 3.39Å
439S92.1Very high92.7Very high10 Ų1040.7 Ų40.77%0.0720%0.202CC..  trans-87.6139-176.9-171.30000112.5I273 G274 A435 C436 N441 I503I273-S439 WeakPolarHBondContact CG2-O 3.37Å; G274-S439 PolarHBondContact N-O 3.12Å; G274-S439 VanDerWaalsContact N-O 3.09Å; A435-S439 PolarHBondContact O-N 3.15Å; C436-S439 PolarHBondContact O-N 2.68Å; S439-N441 PolarHBondContact OG-N 2.91Å; S439-I503 PolarHBondContact OG-O 3.35Å
440N87.9Confident92.4Very high83 Ų8344.5 Ų44.544%0.44422%0.221SC..  trans-90.5-2.1170.4-68.3-57000113.1N281 E442N281-N440 PolarHBondContact ND2-OD1 3.47Å; N440-E442 PolarHBondContact O-N 3.28Å
441N87.7Confident92.4Very high53 Ų5339.9 Ų39.928%0.28320%0.199SC..  trans-85.192.1-179-175.6-2.7000110.8S439 E443 G444 V445 I503S439-N441 PolarHBondContact OG-N 2.91Å; N441-E443 PolarHBondContact O-N 2.92Å; N441-G444 PolarHBondContact O-N 3.1Å; N441-G444 PolarHBondContact OD1-N 3Å; N441-V445 WeakPolarHBondContact O-CB 3.13Å; N441-V445 VanDerWaalsContact O-CG2 3.23Å; N441-V445 WeakPolarHBondContact O-CG2 3.29Å; N441-V445 PolarHBondContact O-N 2.93Å; N441-I503 HydrophobicContact CB-CG2 4.24Å
442E86.7Confident92.4Very high104 Ų10440 Ų4049%0.48620%0.2SC..Hα-helixtrans-57.6-48-177.1-176.1172.2-173.200113.4N440 V445 K446N440-E442 PolarHBondContact O-N 3.28Å; E442-V445 PolarHBondContact O-N 3.29Å; E442-K446 PolarHBondContact O-N 2.85Å
443E85.7Confident92.4Very high120 Ų12044.4 Ų44.456%0.56123%0.227SC*.Hα-helixtrans-65-42.6178.3-68.8-63.8162.500111.6N441 K446 L447N441-E443 PolarHBondContact O-N 2.92Å; E443-K446 WeakPolarHBondContact O-CB 3.24Å; E443-K446 PolarHBondContact O-N 3Å; E443-L447 WeakPolarHBondContact O-CG 3.29Å; E443-L447 PolarHBondContact O-N 3.34Å; E443-L447 VanDerWaalsContact O-N 3.11Å
444G90.5Very high92.4Very high7 Ų745.3 Ų45.37%0.07223%0.23CC..Hα-helixtrans-63.9-43176.300000112.8N441 K446 L447 V448 I503N441-G444 PolarHBondContact O-N 3.1Å; N441-G444 PolarHBondContact OD1-N 3Å; G444-K446 VanDerWaalsContact C-N 3.25Å; G444-K446 PolarHBondContact O-N 2.99Å; G444-L447 PolarHBondContact O-N 3.39Å; G444-L447 VanDerWaalsContact O-N 3.1Å; G444-V448 WeakPolarHBondContact O-CG2 3.48Å; G444-V448 PolarHBondContact O-N 3.45Å; G444-I503 VanDerWaalsContact C-CG2 3.47Å; G444-I503 VanDerWaalsContact CA-CG2 3.45Å
445V91.6Very high92.5Very high2 Ų244 Ų441%0.01222%0.223CC..Hα-helixtrans-57.8-40.3174.9165.90000111C436 N441 E442 R449C436-V445 HydrophobicContact CB-CG1 4.03Å; C436-V445 HydrophobicContact CB-CG2 4.2Å; N441-V445 WeakPolarHBondContact O-CB 3.13Å; N441-V445 VanDerWaalsContact O-CG2 3.23Å; N441-V445 WeakPolarHBondContact O-CG2 3.29Å; N441-V445 PolarHBondContact O-N 2.93Å; E442-V445 PolarHBondContact O-N 3.29Å; V445-R449 HydrophobicContact CG1-CG 4.48Å; V445-R449 WeakPolarHBondContact O-CB 3.26Å; V445-R449 WeakPolarHBondContact O-CG 3.11Å; V445-R449 PolarHBondContact O-N 3.31Å
446K88.6Confident92.6Very high59 Ų5947.6 Ų47.626%0.25724%0.242SC..Hα-helixtrans-61.1-47.5175.1-174.1-176.5-174.7175.20111.5D265 E442 E443 G444 R449 M450D265-K446 IonicContact OD2-NZ 3.28Å; D265-K446 PolarHBondContact OD2-NZ 3.22Å; E442-K446 PolarHBondContact O-N 2.85Å; E443-K446 WeakPolarHBondContact O-CB 3.24Å; E443-K446 PolarHBondContact O-N 3Å; G444-K446 VanDerWaalsContact C-N 3.25Å; G444-K446 PolarHBondContact O-N 2.99Å; K446-R449 PolarHBondContact O-N 3.19Å; K446-M450 HydrophobicContact CG-SD 4.14Å; K446-M450 WeakPolarHBondContact O-CB 3.3Å; K446-M450 VanDerWaalsContact O-CG 3.27Å; K446-M450 WeakPolarHBondContact O-CG 3.44Å; K446-M450 PolarHBondContact O-N 3.05Å
447L91.7Very high92.7Very high94 Ų9449.4 Ų49.449%0.49226%0.255SS..Hα-helixtrans-61.9-44.3179.2-67.3175.8000112.2E443 G444 M450 A451E443-L447 WeakPolarHBondContact O-CG 3.29Å; E443-L447 PolarHBondContact O-N 3.34Å; E443-L447 VanDerWaalsContact O-N 3.11Å; G444-L447 PolarHBondContact O-N 3.39Å; G444-L447 VanDerWaalsContact O-N 3.1Å; L447-M450 PolarHBondContact O-N 2.93Å; L447-A451 WeakPolarHBondContact O-CB 3.47Å; L447-A451 PolarHBondContact O-N 3.13Å
448V95.8Very high92.9Very high0 Ų048.4 Ų48.40%025%0.248CC..Hα-helixtrans-61.7-48.4177.1175.10000111.3A432 C436 G444 M450 A451 A452 L496 A499 V500 I503A432-V448 HydrophobicContact CB-CG1 3.77Å; C436-V448 VanDerWaalsContact SG-CB 3.57Å; C436-V448 WeakPolarHBondContact SG-CG1 3.49Å; G444-V448 WeakPolarHBondContact O-CG2 3.48Å; G444-V448 PolarHBondContact O-N 3.45Å; V448-M450 VanDerWaalsContact C-N 3.29Å; V448-M450 PolarHBondContact O-N 2.99Å; V448-A451 PolarHBondContact O-N 3.37Å; V448-A451 VanDerWaalsContact O-N 3.15Å; V448-A452 WeakPolarHBondContact O-CB 3.15Å; V448-A452 PolarHBondContact O-N 3Å; V448-L496 HydrophobicContact CG1-CD1 4.2Å; V448-A499 HydrophobicContact CG2-CB 3.73Å; V448-A499 WeakPolarHBondContact CG2-O 3.48Å; V448-V500 HydrophobicContact CG1-CG2 3.87Å; V448-V500 HydrophobicContact CG2-CG2 4.21Å; V448-I503 HydrophobicContact CG2-CD1 3.86Å; V448-I503 HydrophobicContact CG2-CG1 4.16Å; V448-I503 HydrophobicContact CG2-CG2 4.4Å
449R94.4Very high93.2Very high80 Ų8047.4 Ų47.430%0.30224%0.243SC..Hα-helixtrans-62-37.6178.8-72.2-179-176.6-92.114112.2E275 V445 K446 T453E275-R449 IonicContact OE1-NH2 3.28Å; V445-R449 HydrophobicContact CG1-CG 4.48Å; V445-R449 WeakPolarHBondContact O-CB 3.26Å; V445-R449 WeakPolarHBondContact O-CG 3.11Å; V445-R449 PolarHBondContact O-N 3.31Å; K446-R449 PolarHBondContact O-N 3.19Å; R449-T453 WeakPolarHBondContact O-CB 3.47Å; R449-T453 PolarHBondContact O-N 3.19Å; R449-T453 PolarHBondContact O-OG1 3.06Å
450M92Very high93.5Very high92 Ų9249.6 Ų49.645%0.45326%0.257SS..Hα-helixtrans-64.6-44.4173.8-74.3175.862.700111.9K446 L447 V448 Q454K446-M450 HydrophobicContact CG-SD 4.14Å; K446-M450 WeakPolarHBondContact O-CB 3.3Å; K446-M450 VanDerWaalsContact O-CG 3.27Å; K446-M450 WeakPolarHBondContact O-CG 3.44Å; K446-M450 PolarHBondContact O-N 3.05Å; L447-M450 PolarHBondContact O-N 2.93Å; V448-M450 VanDerWaalsContact C-N 3.29Å; V448-M450 PolarHBondContact O-N 2.99Å; M450-Q454 WeakPolarHBondContact O-CG 3.27Å; M450-Q454 PolarHBondContact O-N 3.42Å; M450-Q454 VanDerWaalsContact O-N 3.17Å
451A95.8Very high94Very high3 Ų346.6 Ų46.63%0.02524%0.24CC..Hα-helixtrans-65.5-41.1177.400000111.9L447 V448 Q454 I455 V495 L496L447-A451 WeakPolarHBondContact O-CB 3.47Å; L447-A451 PolarHBondContact O-N 3.13Å; V448-A451 PolarHBondContact O-N 3.37Å; V448-A451 VanDerWaalsContact O-N 3.15Å; A451-Q454 WeakPolarHBondContact O-CB 3.39Å; A451-Q454 PolarHBondContact O-N 2.93Å; A451-I455 PolarHBondContact O-N 3.23Å; A451-V495 HydrophobicContact CB-CG1 4.21Å; A451-L496 HydrophobicContact CB-CB 4.11Å; A451-L496 HydrophobicContact CB-CD1 3.8Å
452A97.5Very high94.5Very high2 Ų244 Ų442%0.01723%0.226CC..Hα-helixtrans-63.4-44.917700000111.9V429 V448 Q454 I455 D456 L496V429-A452 HydrophobicContact CG1-CB 4.25Å; V429-A452 HydrophobicContact CG2-CB 4.26Å; V448-A452 WeakPolarHBondContact O-CB 3.15Å; V448-A452 PolarHBondContact O-N 3Å; A452-Q454 PolarHBondContact O-N 3.28Å; A452-I455 WeakPolarHBondContact O-CB 3.47Å; A452-I455 PolarHBondContact O-N 2.95Å; A452-D456 PolarHBondContact O-N 2.89Å; A452-L496 HydrophobicContact CB-CD1 4.19Å
453T95.8Very high95.1Very high92 Ų9239.5 Ų39.556%0.56421%0.205SC*.Hα-helixtrans-59.4-36.1174.7-56.20000111.6R449 S457R449-T453 WeakPolarHBondContact O-CB 3.47Å; R449-T453 PolarHBondContact O-N 3.19Å; R449-T453 PolarHBondContact O-OG1 3.06Å; T453-S457 WeakPolarHBondContact O-CB 3.43Å; T453-S457 PolarHBondContact O-N 2.81Å
454Q95.3Very high95.7Very high73 Ų7335.2 Ų35.234%0.34119%0.186SC..Hα-helixtrans-67.9-39.1175.5-74.3-177.761.600112.1M450 A451 A452 S457 L458 Q492M450-Q454 WeakPolarHBondContact O-CG 3.27Å; M450-Q454 PolarHBondContact O-N 3.42Å; M450-Q454 VanDerWaalsContact O-N 3.17Å; A451-Q454 WeakPolarHBondContact O-CB 3.39Å; A451-Q454 PolarHBondContact O-N 2.93Å; A452-Q454 PolarHBondContact O-N 3.28Å; Q454-S457 PolarHBondContact O-N 3.43Å; Q454-S457 PolarHBondContact O-OG 3.46Å; Q454-L458 VanDerWaalsContact O-CB 3.24Å; Q454-L458 WeakPolarHBondContact O-CB 3.34Å; Q454-L458 PolarHBondContact O-N 3.42Å; Q454-Q492 HydrophobicContact CB-CG 3.91Å
455I98.1Very high96Very high0 Ų034.9 Ų34.90%018%0.183CC..Hα-helixtrans-59.2-50.1173.1-70-64.3000111A425 V429 A451 A452 S457 L458 C459 W489 Q492 V493 L496A425-I455 HydrophobicContact CB-CG2 4.47Å; V429-I455 HydrophobicContact CG2-CB 4.05Å; V429-I455 HydrophobicContact CG2-CG2 3.72Å; A451-I455 PolarHBondContact O-N 3.23Å; A452-I455 WeakPolarHBondContact O-CB 3.47Å; A452-I455 PolarHBondContact O-N 2.95Å; I455-S457 VanDerWaalsContact C-N 3.27Å; I455-S457 PolarHBondContact O-N 3.23Å; I455-L458 PolarHBondContact O-N 3.11Å; I455-L458 VanDerWaalsContact O-N 3.13Å; I455-C459 WeakPolarHBondContact O-CB 3.43Å; I455-C459 PolarHBondContact O-N 2.76Å; I455-W489 HydrophobicContact CD1-CE3 4.42Å; I455-W489 HydrophobicContact CD1-CH2 4.27Å; I455-W489 HydrophobicContact CD1-CZ3 4.15Å; I455-W489 HydrophobicContact CG2-CH2 3.65Å; I455-W489 HydrophobicContact CG2-CZ3 3.96Å; I455-Q492 HydrophobicContact CD1-CB 3.85Å; I455-Q492 HydrophobicContact CD1-CG 3.56Å; I455-Q492 HydrophobicContact CG1-CG 3.99Å; I455-V493 HydrophobicContact CD1-CG2 3.69Å; I455-L496 HydrophobicContact CG1-CD2 3.95Å
456D97.8Very high96.4Very high75 Ų7534.8 Ų34.840%0.40118%0.182SC..Hα-helixtrans-56-42.6176.7-79.1-28.5000112A452 P460A452-D456 PolarHBondContact O-N 2.89Å; D456-P460 WeakPolarHBondContact O-CD 3.37Å
457S96.4Very high96.8Very high38 Ų3834.2 Ų34.227%0.26618%0.182SC..Hα-helixtrans-69.8-32.2-179.4810000113.3Y242 T453 Q454 I455 Q461Y242-S457 PolarHBondContact OH-OG 2.97Å; T453-S457 WeakPolarHBondContact O-CB 3.43Å; T453-S457 PolarHBondContact O-N 2.81Å; Q454-S457 PolarHBondContact O-N 3.43Å; Q454-S457 PolarHBondContact O-OG 3.46Å; I455-S457 VanDerWaalsContact C-N 3.27Å; I455-S457 PolarHBondContact O-N 3.23Å; S457-Q461 WeakPolarHBondContact O-CG 3.4Å
458L97.4Very high97.1Very high3 Ų329.8 Ų29.82%0.01616%0.158CC..Hα-helixtrans-88.7-33-173.2-174.463000112.3M219 Q454 I455 Q461 V462 F485 Q488 W489 Q492M219-L458 HydrophobicContact CE-CD1 4.22Å; Q454-L458 VanDerWaalsContact O-CB 3.24Å; Q454-L458 WeakPolarHBondContact O-CB 3.34Å; Q454-L458 PolarHBondContact O-N 3.42Å; I455-L458 PolarHBondContact O-N 3.11Å; I455-L458 VanDerWaalsContact O-N 3.13Å; L458-Q461 HydrophobicContact CD1-CB 4.42Å; L458-Q461 WeakPolarHBondContact O-CA 3.33Å; L458-Q461 VanDerWaalsContact O-CB 3.31Å; L458-Q461 WeakPolarHBondContact O-CB 3.28Å; L458-Q461 PolarHBondContact O-N 3.2Å; L458-V462 HydrophobicContact CG-CG2 4.1Å; L458-V462 PolarHBondContact O-N 3.39Å; L458-F485 HydrophobicContact CD1-CD1 4.01Å; L458-F485 HydrophobicContact CD1-CE1 4.33Å; L458-Q488 HydrophobicContact CD1-CG 4.17Å; L458-Q488 HydrophobicContact CD2-CB 4.41Å; L458-Q488 HydrophobicContact CD2-CG 3.9Å; L458-W489 HydrophobicContact CB-CE3 4.34Å; L458-W489 HydrophobicContact CD2-CB 4.19Å; L458-W489 HydrophobicContact CD2-CE3 4Å; L458-W489 HydrophobicContact CG-CE3 4.06Å; L458-Q492 HydrophobicContact CD2-CB 4.19Å
459C98.5Very high97.3Very high6 Ų629.9 Ų29.94%0.04116%0.159CC..Hα-helixtrans-46.4-55.2179.1176.20000113.7F421 A425 I455 Q461 V462 I463 W489F421-C459 HydrophobicContact CE1-CB 4.49Å; A425-C459 HydrophobicContact CB-CB 4.15Å; I455-C459 WeakPolarHBondContact O-CB 3.43Å; I455-C459 PolarHBondContact O-N 2.76Å; C459-Q461 PolarHBondContact O-N 2.91Å; C459-Q461 VanDerWaalsContact O-N 3.16Å; C459-V462 PolarHBondContact O-N 3.19Å; C459-I463 WeakPolarHBondContact O-CG1 3.39Å; C459-I463 PolarHBondContact O-N 3.09Å; C459-W489 HydrophobicContact CB-CH2 4.18Å; C459-W489 HydrophobicContact CB-CZ3 3.83Å
460P98.3Very high97.4Very high55 Ų5526.2 Ų26.236%0.35715%0.146SC..Hα-helixtrans-62.8-25.4177.924.5-34.2000112.9D456 N464D456-P460 WeakPolarHBondContact O-CD 3.37Å; P460-N464 WeakPolarHBondContact O-CB 3.32Å; P460-N464 PolarHBondContact O-N 2.92Å; P460-N464 PolarHBondContact O-ND2 3.27Å; P460-N464 VanDerWaalsContact O-ND2 3.1Å
461Q98.2Very high97.7Very high20 Ų2022.7 Ų22.79%0.09313%0.132CC..Hα-helixtrans-77.8-37-179.3-47.1-50.8-32.300112.5N239 Y242 S457 L458 C459 I463 N464 A465 F485N239-Q461 WeakPolarHBondContact ND2-CA 3.09Å; N239-Q461 PolarHBondContact ND2-O 3.15Å; N239-Q461 PolarHBondContact ND2-OE1 3.49Å; Y242-Q461 HydrophobicContact CD1-CG 3.63Å; Y242-Q461 HydrophobicContact CD2-CG 4Å; Y242-Q461 HydrophobicContact CE1-CG 3.87Å; Y242-Q461 HydrophobicContact CE2-CG 4.21Å; Y242-Q461 HydrophobicContact CG-CG 3.7Å; S457-Q461 WeakPolarHBondContact O-CG 3.4Å; L458-Q461 HydrophobicContact CD1-CB 4.42Å; L458-Q461 WeakPolarHBondContact O-CA 3.33Å; L458-Q461 VanDerWaalsContact O-CB 3.31Å; L458-Q461 WeakPolarHBondContact O-CB 3.28Å; L458-Q461 PolarHBondContact O-N 3.2Å; C459-Q461 PolarHBondContact O-N 2.91Å; C459-Q461 VanDerWaalsContact O-N 3.16Å; Q461-I463 VanDerWaalsContact C-N 3.32Å; Q461-N464 PolarHBondContact O-N 3.07Å; Q461-N464 PolarHBondContact OE1-ND2 2.88Å; Q461-A465 PolarHBondContact O-N 3.03Å; Q461-F485 HydrophobicContact CB-CD1 3.89Å; Q461-F485 HydrophobicContact CB-CE1 3.47Å; Q461-F485 VanDerWaalsContact CB-CE1 3.47Å; Q461-F485 HydrophobicContact CB-CZ 4.29Å; Q461-F485 HydrophobicContact CG-CE1 4.42Å
462V98.5Very high97.8Very high0 Ų027 Ų270%015%0.147CC..Hα-helixtrans-62.1-44171.2178.30000110.1L399 F421 L458 C459 N464 A465 A466 M482 W489L399-V462 HydrophobicContact CD1-CG1 3.49Å; L399-V462 VanDerWaalsContact CD1-CG1 3.49Å; F421-V462 HydrophobicContact CE1-CB 3.96Å; F421-V462 HydrophobicContact CE1-CG1 3.95Å; F421-V462 HydrophobicContact CE2-CG1 4.45Å; F421-V462 HydrophobicContact CZ-CB 4.02Å; F421-V462 HydrophobicContact CZ-CG1 3.73Å; F421-V462 HydrophobicContact CZ-CG2 4.37Å; L458-V462 HydrophobicContact CG-CG2 4.1Å; L458-V462 PolarHBondContact O-N 3.39Å; C459-V462 PolarHBondContact O-N 3.19Å; V462-N464 PolarHBondContact O-N 3.28Å; V462-A465 PolarHBondContact O-N 2.78Å; V462-A466 PolarHBondContact O-N 3.36Å; V462-M482 HydrophobicContact CG1-CE 3.91Å; V462-W489 HydrophobicContact CG2-CB 3.91Å; V462-W489 HydrophobicContact CG2-CD2 4.26Å; V462-W489 HydrophobicContact CG2-CE3 3.91Å; V462-W489 HydrophobicContact CG2-CG 4.29Å
463I98.5Very high97.7Very high8 Ų828.6 Ų28.64%0.04116%0.157CC..Hα-helixtrans-61-44.7175.3-65.3169.8000110.8A418 F421 R422 C459 Q461 A465 A466 L467A418-I463 HydrophobicContact CB-CD1 4.26Å; A418-I463 HydrophobicContact CB-CG1 4.12Å; A418-I463 HydrophobicContact CB-CG2 3.77Å; F421-I463 HydrophobicContact CD1-CD1 4.17Å; F421-I463 HydrophobicContact CD1-CG1 3.87Å; F421-I463 HydrophobicContact CE1-CG1 4.27Å; R422-I463 HydrophobicContact CB-CD1 4.37Å; C459-I463 WeakPolarHBondContact O-CG1 3.39Å; C459-I463 PolarHBondContact O-N 3.09Å; Q461-I463 VanDerWaalsContact C-N 3.32Å; I463-A465 VanDerWaalsContact C-N 3.31Å; I463-A465 PolarHBondContact O-N 3.3Å; I463-A466 PolarHBondContact O-N 2.92Å; I463-L467 HydrophobicContact CG2-CD1 3.97Å; I463-L467 HydrophobicContact CG2-CG 4.34Å; I463-L467 WeakPolarHBondContact O-CB 3.34Å; I463-L467 WeakPolarHBondContact O-CG 3.41Å; I463-L467 PolarHBondContact O-N 3.45Å
464N98.3Very high97.8Very high31 Ų3132.3 Ų32.317%0.16617%0.168CC..Hα-helixtrans-62.2-37.7176.6-75.5-27.7000112.5A235 A238 N239 P460 Q461 V462 T468A235-N464 HydrophobicContact CB-CB 3.96Å; A235-N464 WeakPolarHBondContact CB-O 3.37Å; A238-N464 WeakPolarHBondContact CB-ND2 3.31Å; N239-N464 VanDerWaalsContact ND2-CB 3.3Å; N239-N464 WeakPolarHBondContact ND2-CB 3.46Å; P460-N464 WeakPolarHBondContact O-CB 3.32Å; P460-N464 PolarHBondContact O-N 2.92Å; P460-N464 PolarHBondContact O-ND2 3.27Å; P460-N464 VanDerWaalsContact O-ND2 3.1Å; Q461-N464 PolarHBondContact O-N 3.07Å; Q461-N464 PolarHBondContact OE1-ND2 2.88Å; V462-N464 PolarHBondContact O-N 3.28Å; N464-T468 WeakPolarHBondContact O-CB 3.33Å; N464-T468 PolarHBondContact O-N 3.46Å; N464-T468 PolarHBondContact O-OG1 2.95Å
465A98.4Very high97.9Very high0 Ų029.8 Ų29.80%016%0.158CC..Hα-helixtrans-66.1-42175.100000111.2N239 Q461 V462 I463 T468 L469 M482 F485N239-A465 PolarHBondContact OD1-N 3.45Å; Q461-A465 PolarHBondContact O-N 3.03Å; V462-A465 PolarHBondContact O-N 2.78Å; I463-A465 VanDerWaalsContact C-N 3.31Å; I463-A465 PolarHBondContact O-N 3.3Å; A465-T468 WeakPolarHBondContact O-CB 3.41Å; A465-T468 PolarHBondContact O-N 3.42Å; A465-L469 PolarHBondContact O-N 2.89Å; A465-M482 VanDerWaalsContact C-SD 3.54Å; A465-M482 HydrophobicContact CB-CE 4.28Å; A465-M482 HydrophobicContact CB-SD 3.74Å; A465-F485 HydrophobicContact CB-CB 3.99Å; A465-F485 HydrophobicContact CB-CD2 3.8Å; A465-F485 HydrophobicContact CB-CG 4.04Å
466A98.6Very high97.9Very high0 Ų035.4 Ų35.40%018%0.183CC..Hα-helixtrans-64.4-43.9175.900000112.1L402 A406 V414 V462 I463 T468 L469 A470 M482L402-A466 HydrophobicContact CD1-CB 3.97Å; L402-A466 HydrophobicContact CD2-CB 4.05Å; L402-A466 HydrophobicContact CG-CB 3.82Å; A406-A466 HydrophobicContact CB-CB 4.17Å; A406-A466 WeakPolarHBondContact CB-O 3.38Å; V414-A466 HydrophobicContact CG1-CB 4.39Å; V462-A466 PolarHBondContact O-N 3.36Å; I463-A466 PolarHBondContact O-N 2.92Å; A466-T468 VanDerWaalsContact C-N 3.3Å; A466-T468 PolarHBondContact O-N 3.19Å; A466-L469 PolarHBondContact O-N 2.9Å; A466-A470 WeakPolarHBondContact O-CB 3.45Å; A466-A470 PolarHBondContact O-N 3Å; A466-M482 VanDerWaalsContact CA-SD 3.56Å; A466-M482 HydrophobicContact CB-SD 3.94Å; A466-M482 PolarHBondContact N-SD 3.11Å
467L98.1Very high97.8Very high47 Ų4732.6 Ų32.625%0.24617%0.169CC..Hα-helixtrans-61.9-37.8174.3-72.4170.5000112.1A235 V414 K415 I463 A470 A471A235-L467 HydrophobicContact CB-CB 4.16Å; V414-L467 HydrophobicContact CG1-CD2 3.82Å; V414-L467 HydrophobicContact CG1-CG 4.34Å; K415-L467 HydrophobicContact CG-CD2 4.43Å; I463-L467 HydrophobicContact CG2-CD1 3.97Å; I463-L467 HydrophobicContact CG2-CG 4.34Å; I463-L467 WeakPolarHBondContact O-CB 3.34Å; I463-L467 WeakPolarHBondContact O-CG 3.41Å; I463-L467 PolarHBondContact O-N 3.45Å; L467-A470 PolarHBondContact O-N 3.44Å; L467-A471 WeakPolarHBondContact O-CB 3.44Å; L467-A471 PolarHBondContact O-N 3.13Å
468T97.9Very high97.9Very high0 Ų030.8 Ų30.80%016%0.156CC..Hα-helixtrans-63.2-44.6174.5-61.10000111.4T236 N464 A465 A466 R472 A478T236-T468 HydrophobicContact CG2-CG2 3.44Å; T236-T468 VanDerWaalsContact CG2-CG2 3.44Å; N464-T468 WeakPolarHBondContact O-CB 3.33Å; N464-T468 PolarHBondContact O-N 3.46Å; N464-T468 PolarHBondContact O-OG1 2.95Å; A465-T468 WeakPolarHBondContact O-CB 3.41Å; A465-T468 PolarHBondContact O-N 3.42Å; A466-T468 VanDerWaalsContact C-N 3.3Å; A466-T468 PolarHBondContact O-N 3.19Å; T468-R472 PolarHBondContact O-N 3.3Å; T468-A478 HydrophobicContact CG2-CB 4.12Å
469L98.5Very high97.9Very high2 Ų233.6 Ų33.61%0.0117%0.169CC..Hα-helixtrans-66-41.9177.4179.960.4000111.5A406 K407 A465 A466 A471 R472 P473 A478 Q479 M482A406-L469 HydrophobicContact CB-CB 4.13Å; A406-L469 HydrophobicContact CB-CD2 4Å; A406-L469 HydrophobicContact CB-CG 4.11Å; K407-L469 HydrophobicContact CG-CD2 3.94Å; A465-L469 PolarHBondContact O-N 2.89Å; A466-L469 PolarHBondContact O-N 2.9Å; L469-A471 PolarHBondContact O-N 2.79Å; L469-R472 CarbonylContact O-C 3.01Å; L469-R472 PolarHBondContact O-N 3.01Å; L469-P473 WeakPolarHBondContact O-CA 3.11Å; L469-P473 WeakPolarHBondContact O-CD 3.17Å; L469-A478 HydrophobicContact CD1-CB 4.21Å; L469-Q479 HydrophobicContact CD1-CB 4.43Å; L469-Q479 HydrophobicContact CD1-CG 3.59Å; L469-M482 HydrophobicContact CD2-CB 3.97Å; L469-M482 HydrophobicContact CD2-CG 3.88Å
470A98Very high97.9Very high3 Ų335.6 Ų35.63%0.02518%0.179CC..Hα-helixtrans-61.3-40.9177.300000113A406 G409 E411 V414 A466 L467 R472 P473A406-A470 HydrophobicContact CB-CB 4.37Å; A406-A470 WeakPolarHBondContact O-CA 3.49Å; G409-A470 WeakPolarHBondContact CA-O 3.48Å; E411-A470 HydrophobicContact CG-CB 4.16Å; V414-A470 HydrophobicContact CB-CB 4.39Å; V414-A470 HydrophobicContact CG1-CB 4.37Å; V414-A470 HydrophobicContact CG2-CB 3.86Å; A466-A470 WeakPolarHBondContact O-CB 3.45Å; A466-A470 PolarHBondContact O-N 3Å; L467-A470 PolarHBondContact O-N 3.44Å; A470-R472 VanDerWaalsContact C-N 3.25Å; A470-R472 PolarHBondContact O-N 3.16Å; A470-P473 WeakPolarHBondContact O-CD 3.31Å
471A97.7Very high97.8Very high19 Ų1933 Ų3316%0.15716%0.162CC..Hα-helixtrans-70-23.1176.400000112.9V233 L467 L469V233-A471 HydrophobicContact CG1-CB 4.35Å; V233-A471 HydrophobicContact CG2-CB 4.02Å; L467-A471 WeakPolarHBondContact O-CB 3.44Å; L467-A471 PolarHBondContact O-N 3.13Å; L469-A471 PolarHBondContact O-N 2.79Å
472R97.6Very high97.8Very high94 Ų9432.1 Ų32.136%0.35516%0.158SC..SBendtrans-142.961.1-172.6-58.7-69.1177-118.67.5111.8H230 D232 V233 T468 L469 A470 Q474 S475 A478H230-R472 HydrophobicContact CB-CG 4.42Å; H230-R472 WeakPolarHBondContact ND1-CD 3.43Å; H230-R472 WeakPolarHBondContact ND1-CG 3.41Å; H230-R472 PolarHBondContact ND1-NE 3.34Å; D232-R472 IonicContact OD1-NH2 3.42Å; D232-R472 IonicContact OD2-CZ 3.48Å; D232-R472 IonicContact OD2-NH2 3.34Å; D232-R472 PolarHBondContact OD2-NH2 3.13Å; V233-R472 HydrophobicContact CG2-CG 4.42Å; T468-R472 PolarHBondContact O-N 3.3Å; L469-R472 CarbonylContact O-C 3.01Å; L469-R472 PolarHBondContact O-N 3.01Å; A470-R472 VanDerWaalsContact C-N 3.25Å; A470-R472 PolarHBondContact O-N 3.16Å; R472-Q474 VanDerWaalsContact C-N 3.29Å; R472-Q474 PolarHBondContact O-N 3.02Å; R472-S475 VanDerWaalsContact O-CB 3.23Å; R472-S475 WeakPolarHBondContact O-CB 3.42Å; R472-S475 PolarHBondContact O-N 3.49Å; R472-A478 HydrophobicContact CB-CB 4.45Å
473P96.5Very high97.8Very high34 Ų3435.1 Ų35.122%0.22117%0.174CC..THydrogen-bonded Turntrans-66.4-29.1-167.223.4-33.7000113.8K407 L469 A470 S475 Q479K407-P473 WeakPolarHBondContact O-CB 3.4Å; L469-P473 WeakPolarHBondContact O-CA 3.11Å; L469-P473 WeakPolarHBondContact O-CD 3.17Å; A470-P473 WeakPolarHBondContact O-CD 3.31Å; P473-S475 VanDerWaalsContact C-N 3.32Å; P473-Q479 PolarHBondContact O-NE2 3.24Å
474Q97Very high97.8Very high171 Ų17136.2 Ų36.280%0.79918%0.181SC*.THydrogen-bonded Turntrans-85.4-2.3177.8-57.4-58-29.600113.5R472 K476R472-Q474 VanDerWaalsContact C-N 3.29Å; R472-Q474 PolarHBondContact O-N 3.02Å; Q474-K476 PolarHBondContact O-N 2.87Å
475S97.7Very high97.7Very high19 Ų1934.7 Ų34.713%0.13317%0.173CC..  trans-80.7112.6-179172.30000110.7H230 R472 P473 V477 A478 Q479H230-S475 WeakPolarHBondContact NE2-CB 3.47Å; H230-S475 PolarHBondContact NE2-OG 3.11Å; R472-S475 VanDerWaalsContact O-CB 3.23Å; R472-S475 WeakPolarHBondContact O-CB 3.42Å; R472-S475 PolarHBondContact O-N 3.49Å; P473-S475 VanDerWaalsContact C-N 3.32Å; S475-V477 PolarHBondContact O-N 3.27Å; S475-A478 WeakPolarHBondContact O-CB 3.26Å; S475-A478 PolarHBondContact O-N 3.45Å; S475-A478 PolarHBondContact OG-N 3.44Å; S475-Q479 PolarHBondContact O-N 3.28Å
476K97.5Very high97.7Very high119 Ų11937 Ų3752%0.51718%0.183SC..Hα-helixtrans-55.4-39.8174.8-175.251.6175.7152.70112.7Q474 A478 Q479 D480Q474-K476 PolarHBondContact O-N 2.87Å; K476-A478 VanDerWaalsContact C-N 3.28Å; K476-A478 PolarHBondContact O-N 3.32Å; K476-Q479 WeakPolarHBondContact O-CB 3.46Å; K476-Q479 PolarHBondContact O-N 3.38Å; K476-D480 WeakPolarHBondContact CE-OD1 3.46Å; K476-D480 IonicContact NZ-OD1 2.76Å; K476-D480 PolarHBondContact NZ-OD1 2.89Å; K476-D480 PolarHBondContact O-N 2.72Å
477V96.8Very high97.7Very high16 Ų1640.5 Ų40.510%0.09720%0.202CC..Hα-helixtrans-63-33.5176.3-179.10000112.5Q225 A226 S475 N481Q225-V477 HydrophobicContact CB-CG1 3.8Å; Q225-V477 HydrophobicContact CG-CG1 3.61Å; Q225-V477 HydrophobicContact CG-CG2 4.09Å; A226-V477 HydrophobicContact CB-CG1 4.07Å; A226-V477 VanDerWaalsContact N-CG1 3.33Å; S475-V477 PolarHBondContact O-N 3.27Å; V477-N481 WeakPolarHBondContact O-CB 3.29Å; V477-N481 PolarHBondContact O-N 3.49Å; V477-N481 VanDerWaalsContact O-N 3.08Å
478A97.7Very high97.6Very high0 Ų039.2 Ų39.20%019%0.194CC..Hα-helixtrans-75.4-37.7178.700000110.8T468 L469 R472 S475 K476 N481 M482T468-A478 HydrophobicContact CG2-CB 4.12Å; L469-A478 HydrophobicContact CD1-CB 4.21Å; R472-A478 HydrophobicContact CB-CB 4.45Å; S475-A478 WeakPolarHBondContact O-CB 3.26Å; S475-A478 PolarHBondContact O-N 3.45Å; S475-A478 PolarHBondContact OG-N 3.44Å; K476-A478 VanDerWaalsContact C-N 3.28Å; K476-A478 PolarHBondContact O-N 3.32Å; A478-N481 PolarHBondContact O-N 3.44Å; A478-M482 PolarHBondContact O-N 3.43Å
479Q98.1Very high97.6Very high61 Ų6139.2 Ų39.229%0.28519%0.194SC..Hα-helixtrans-62.4-50.4172.7-65.2169.82.900111L469 P473 S475 K476 N481 M482 D483L469-Q479 HydrophobicContact CD1-CB 4.43Å; L469-Q479 HydrophobicContact CD1-CG 3.59Å; P473-Q479 PolarHBondContact O-NE2 3.24Å; S475-Q479 PolarHBondContact O-N 3.28Å; K476-Q479 WeakPolarHBondContact O-CB 3.46Å; K476-Q479 PolarHBondContact O-N 3.38Å; Q479-N481 VanDerWaalsContact C-N 3.26Å; Q479-N481 PolarHBondContact O-N 3.43Å; Q479-M482 WeakPolarHBondContact O-CB 3.47Å; Q479-M482 PolarHBondContact O-N 2.92Å; Q479-D483 VanDerWaalsContact O-CG 3.32Å; Q479-D483 PolarHBondContact O-N 3.24Å
480D97.4Very high97.5Very high49 Ų4941.6 Ų41.626%0.26221%0.206SC..Hα-helixtrans-60.7-37178.9-64.4-19.5000111.6K476 V484K476-D480 WeakPolarHBondContact CE-OD1 3.46Å; K476-D480 IonicContact NZ-OD1 2.76Å; K476-D480 PolarHBondContact NZ-OD1 2.89Å; K476-D480 PolarHBondContact O-N 2.72Å; D480-V484 WeakPolarHBondContact O-CG2 3.48Å; D480-V484 PolarHBondContact O-N 3.43Å
481N97.5Very high97.4Very high0 Ų047.3 Ų47.30%023%0.23CC..Hα-helixtrans-64.7-46.9173.1-172.564000111.8T222 A223 A226 N239 V477 A478 Q479 D483 V484 F485T222-N481 PolarHBondContact OG1-OD1 3.48Å; A223-N481 WeakPolarHBondContact CA-OD1 3.44Å; A223-N481 PolarHBondContact N-OD1 3Å; A226-N481 HydrophobicContact CB-CB 4.21Å; N239-N481 PolarHBondContact OD1-ND2 2.83Å; V477-N481 WeakPolarHBondContact O-CB 3.29Å; V477-N481 PolarHBondContact O-N 3.49Å; V477-N481 VanDerWaalsContact O-N 3.08Å; A478-N481 PolarHBondContact O-N 3.44Å; Q479-N481 VanDerWaalsContact C-N 3.26Å; Q479-N481 PolarHBondContact O-N 3.43Å; N481-D483 PolarHBondContact O-N 3.48Å; N481-V484 PolarHBondContact O-N 3.35Å; N481-F485 VanDerWaalsContact O-CD2 3.3Å; N481-F485 WeakPolarHBondContact O-CD2 3.35Å; N481-F485 PolarHBondContact O-N 2.78Å; N481-F485 VanDerWaalsContact O-N 3.15Å; N481-F485 WeakPolarHBondContact OD1-CE2 3.36Å
482M98.3Very high97.4Very high1 Ų146.8 Ų46.81%0.00522%0.224CC..Hα-helixtrans-59.4-45.4176.9-173.467.3-119.200111.9I403 V462 A465 A466 L469 A478 Q479 V484 F485 K486I403-M482 HydrophobicContact CD1-CE 3.87Å; I403-M482 HydrophobicContact CG1-CE 3.75Å; I403-M482 HydrophobicContact CG1-CG 4.2Å; I403-M482 HydrophobicContact CG1-SD 4.19Å; V462-M482 HydrophobicContact CG1-CE 3.91Å; A465-M482 VanDerWaalsContact C-SD 3.54Å; A465-M482 HydrophobicContact CB-CE 4.28Å; A465-M482 HydrophobicContact CB-SD 3.74Å; A466-M482 VanDerWaalsContact CA-SD 3.56Å; A466-M482 HydrophobicContact CB-SD 3.94Å; A466-M482 PolarHBondContact N-SD 3.11Å; L469-M482 HydrophobicContact CD2-CB 3.97Å; L469-M482 HydrophobicContact CD2-CG 3.88Å; A478-M482 PolarHBondContact O-N 3.43Å; Q479-M482 WeakPolarHBondContact O-CB 3.47Å; Q479-M482 PolarHBondContact O-N 2.92Å; M482-V484 VanDerWaalsContact C-N 3.34Å; M482-V484 PolarHBondContact O-N 2.81Å; M482-F485 PolarHBondContact O-N 2.76Å; M482-K486 HydrophobicContact CE-CB 4.31Å; M482-K486 VanDerWaalsContact O-CB 3.31Å; M482-K486 WeakPolarHBondContact O-CB 3.36Å; M482-K486 PolarHBondContact O-N 3.2Å
483D98Very high97.4Very high64 Ų6442.4 Ų42.434%0.34221%0.208SC..Hα-helixtrans-60.2-43.3-179.2-69.3-23000111.5Q479 N481 F485 K486 D487Q479-D483 VanDerWaalsContact O-CG 3.32Å; Q479-D483 PolarHBondContact O-N 3.24Å; N481-D483 PolarHBondContact O-N 3.48Å; D483-F485 PolarHBondContact O-N 3.43Å; D483-K486 WeakPolarHBondContact O-CB 3.24Å; D483-K486 PolarHBondContact O-N 3.18Å; D483-D487 WeakPolarHBondContact O-CB 3.42Å; D483-D487 PolarHBondContact O-N 2.89Å
484V97.3Very high97.4Very high30 Ų3048.1 Ų48.118%0.18223%0.225CC..Hα-helixtrans-65.6-39.8177.4169.60000112.2T218 M219 T222 D480 N481 M482 Q488T218-V484 HydrophobicContact CG2-CG1 4.45Å; T218-V484 HydrophobicContact CG2-CG2 4.34Å; M219-V484 HydrophobicContact CB-CG1 4.2Å; M219-V484 HydrophobicContact CG-CG1 3.58Å; T222-V484 HydrophobicContact CG2-CG2 3.96Å; D480-V484 WeakPolarHBondContact O-CG2 3.48Å; D480-V484 PolarHBondContact O-N 3.43Å; N481-V484 PolarHBondContact O-N 3.35Å; M482-V484 VanDerWaalsContact C-N 3.34Å; M482-V484 PolarHBondContact O-N 2.81Å; V484-Q488 WeakPolarHBondContact O-CB 3.45Å; V484-Q488 PolarHBondContact O-N 2.98Å; V484-Q488 VanDerWaalsContact O-N 3.1Å
485F98Very high97.4Very high0 Ų043.2 Ų43.20%021%0.206CC..Hα-helixtrans-71.3-35.1176-84.4-78.1000112.6M219 A223 N239 V243 L458 Q461 A465 N481 M482 D483 Q488 W489M219-F485 HydrophobicContact CE-CD1 3.43Å; M219-F485 VanDerWaalsContact CE-CD1 3.43Å; M219-F485 HydrophobicContact CE-CE1 3.05Å; M219-F485 HydrophobicContact CE-CE2 4.42Å; M219-F485 HydrophobicContact CE-CG 4.26Å; M219-F485 HydrophobicContact CE-CZ 3.63Å; A223-F485 HydrophobicContact CB-CE2 4.45Å; N239-F485 HydrophobicContact CB-CE2 3.98Å; N239-F485 HydrophobicContact CB-CZ 3.88Å; V243-F485 HydrophobicContact CG2-CZ 3.92Å; L458-F485 HydrophobicContact CD1-CD1 4.01Å; L458-F485 HydrophobicContact CD1-CE1 4.33Å; Q461-F485 HydrophobicContact CB-CD1 3.89Å; Q461-F485 HydrophobicContact CB-CE1 3.47Å; Q461-F485 VanDerWaalsContact CB-CE1 3.47Å; Q461-F485 HydrophobicContact CB-CZ 4.29Å; Q461-F485 HydrophobicContact CG-CE1 4.42Å; A465-F485 HydrophobicContact CB-CB 3.99Å; A465-F485 HydrophobicContact CB-CD2 3.8Å; A465-F485 HydrophobicContact CB-CG 4.04Å; N481-F485 VanDerWaalsContact O-CD2 3.3Å; N481-F485 WeakPolarHBondContact O-CD2 3.35Å; N481-F485 PolarHBondContact O-N 2.78Å; N481-F485 VanDerWaalsContact O-N 3.15Å; N481-F485 WeakPolarHBondContact OD1-CE2 3.36Å; M482-F485 PolarHBondContact O-N 2.76Å; D483-F485 PolarHBondContact O-N 3.43Å; F485-Q488 PolarHBondContact O-N 3.21Å; F485-W489 WeakPolarHBondContact O-CB 3.39Å; F485-W489 PolarHBondContact O-N 3.4Å
486K98.1Very high97.4Very high49 Ų4942.3 Ų42.321%0.21320%0.2CC..Hα-helixtrans-60.4-55.3172.8-179.6-159-178.2-126.40110.7L399 I403 M482 D483 Q488 W489 E490L399-K486 HydrophobicContact CD2-CG 3.72Å; L399-K486 HydrophobicContact CG-CG 4.37Å; I403-K486 HydrophobicContact CD1-CB 3.93Å; I403-K486 HydrophobicContact CD1-CD 3.69Å; I403-K486 HydrophobicContact CD1-CG 3.58Å; M482-K486 HydrophobicContact CE-CB 4.31Å; M482-K486 VanDerWaalsContact O-CB 3.31Å; M482-K486 WeakPolarHBondContact O-CB 3.36Å; M482-K486 PolarHBondContact O-N 3.2Å; D483-K486 WeakPolarHBondContact O-CB 3.24Å; D483-K486 PolarHBondContact O-N 3.18Å; K486-Q488 PolarHBondContact O-N 3.07Å; K486-W489 WeakPolarHBondContact O-CB 3.47Å; K486-W489 PolarHBondContact O-N 3.45Å; K486-E490 WeakPolarHBondContact CE-OE1 3.49Å; K486-E490 IonicContact NZ-OE1 3.19Å; K486-E490 PolarHBondContact NZ-OE1 3.36Å; K486-E490 VanDerWaalsContact NZ-OE1 3.08Å; K486-E490 WeakPolarHBondContact O-CG 3.45Å; K486-E490 PolarHBondContact O-N 3.49Å
487D97.1Very high97.4Very high72 Ų7237.3 Ų37.339%0.38518%0.18SC..Hα-helixtrans-57.1-37.5178.3-79.87.5000111.6D483 K491D483-D487 WeakPolarHBondContact O-CB 3.42Å; D483-D487 PolarHBondContact O-N 2.89Å; D487-K491 WeakPolarHBondContact O-CB 3.35Å; D487-K491 WeakPolarHBondContact O-CD 3.49Å; D487-K491 VanDerWaalsContact O-CG 3.23Å; D487-K491 WeakPolarHBondContact O-CG 3.38Å; D487-K491 PolarHBondContact O-N 3.28Å; D487-K491 VanDerWaalsContact O-N 3.12Å
488Q96Very high97.3Very high20 Ų2040.2 Ų40.29%0.09319%0.192CC..Hα-helixtrans-70.2-37.2178.5-172.848.463.800112.5K215 M219 L458 V484 F485 K486 Q492K215-Q488 VanDerWaalsContact CD-CD 3.48Å; M219-Q488 HydrophobicContact CE-CB 4.5Å; M219-Q488 HydrophobicContact CE-CG 4.23Å; M219-Q488 HydrophobicContact SD-CB 4.37Å; M219-Q488 HydrophobicContact SD-CG 3.89Å; L458-Q488 HydrophobicContact CD1-CG 4.17Å; L458-Q488 HydrophobicContact CD2-CB 4.41Å; L458-Q488 HydrophobicContact CD2-CG 3.9Å; V484-Q488 WeakPolarHBondContact O-CB 3.45Å; V484-Q488 PolarHBondContact O-N 2.98Å; V484-Q488 VanDerWaalsContact O-N 3.1Å; F485-Q488 PolarHBondContact O-N 3.21Å; K486-Q488 PolarHBondContact O-N 3.07Å; Q488-Q492 WeakPolarHBondContact O-CB 3.48Å; Q488-Q492 PolarHBondContact O-N 2.95Å; Q488-Q492 VanDerWaalsContact O-N 3.09Å
489W97.9Very high97.2Very high0 Ų040.7 Ų40.70%020%0.196CC..Hα-helixtrans-64.5-52.7174.7177.2-90.3000111.3L399 F421 A425 I455 L458 C459 V462 F485 K486 K491 Q492 V493L399-W489 HydrophobicContact CD2-CG 4.35Å; F421-W489 HydrophobicContact CE1-CH2 4.24Å; F421-W489 HydrophobicContact CE1-CZ2 4.36Å; F421-W489 HydrophobicContact CE1-CZ3 4.35Å; F421-W489 HydrophobicContact CE2-CD2 4.12Å; F421-W489 AromaticContact CE2-CE2 3.54Å; F421-W489 HydrophobicContact CE2-CH2 4.35Å; F421-W489 AromaticContact CE2-CZ2 3.67Å; F421-W489 HydrophobicContact CE2-CZ2 3.67Å; F421-W489 AromaticContact CE2-NE1 3.69Å; F421-W489 AromaticContact CZ-CD2 3.59Å; F421-W489 HydrophobicContact CZ-CD2 3.59Å; F421-W489 AromaticContact CZ-CE2 3.39Å; F421-W489 AromaticContact CZ-CE3 3.83Å; F421-W489 HydrophobicContact CZ-CE3 3.83Å; F421-W489 HydrophobicContact CZ-CG 4.27Å; F421-W489 AromaticContact CZ-CH2 3.71Å; F421-W489 HydrophobicContact CZ-CH2 3.71Å; F421-W489 AromaticContact CZ-CZ2 3.46Å; F421-W489 HydrophobicContact CZ-CZ2 3.46Å; F421-W489 VanDerWaalsContact CZ-CZ2 3.46Å; F421-W489 AromaticContact CZ-CZ3 3.9Å; F421-W489 HydrophobicContact CZ-CZ3 3.9Å; F421-W489 AromaticContact CZ-NE1 3.96Å; A425-W489 HydrophobicContact CB-CH2 3.58Å; A425-W489 HydrophobicContact CB-CZ2 4.19Å; I455-W489 HydrophobicContact CD1-CE3 4.42Å; I455-W489 HydrophobicContact CD1-CH2 4.27Å; I455-W489 HydrophobicContact CD1-CZ3 4.15Å; I455-W489 HydrophobicContact CG2-CH2 3.65Å; I455-W489 HydrophobicContact CG2-CZ3 3.96Å; L458-W489 HydrophobicContact CB-CE3 4.34Å; L458-W489 HydrophobicContact CD2-CB 4.19Å; L458-W489 HydrophobicContact CD2-CE3 4Å; L458-W489 HydrophobicContact CG-CE3 4.06Å; C459-W489 HydrophobicContact CB-CH2 4.18Å; C459-W489 HydrophobicContact CB-CZ3 3.83Å; V462-W489 HydrophobicContact CG2-CB 3.91Å; V462-W489 HydrophobicContact CG2-CD2 4.26Å; V462-W489 HydrophobicContact CG2-CE3 3.91Å; V462-W489 HydrophobicContact CG2-CG 4.29Å; F485-W489 WeakPolarHBondContact O-CB 3.39Å; F485-W489 PolarHBondContact O-N 3.4Å; K486-W489 WeakPolarHBondContact O-CB 3.47Å; K486-W489 PolarHBondContact O-N 3.45Å; W489-K491 VanDerWaalsContact C-N 3.3Å; W489-K491 PolarHBondContact O-N 3.19Å; W489-Q492 PolarHBondContact O-N 3.42Å; W489-V493 HydrophobicContact CD2-CG2 4.18Å; W489-V493 HydrophobicContact CG-CG2 4.38Å; W489-V493 HydrophobicContact CZ2-CG2 3.98Å; W489-V493 WeakPolarHBondContact O-CG2 3.33Å; W489-V493 PolarHBondContact O-N 3.15Å
490E97.9Very high97.1Very high53 Ų5337.8 Ų37.825%0.24818%0.182CC..Hα-helixtrans-56.8-43.7-179.5-68.5176.8172.400111.4L399 K486 Q492 V493 R494L399-E490 HydrophobicContact CD2-CG 3.9Å; K486-E490 WeakPolarHBondContact CE-OE1 3.49Å; K486-E490 IonicContact NZ-OE1 3.19Å; K486-E490 PolarHBondContact NZ-OE1 3.36Å; K486-E490 VanDerWaalsContact NZ-OE1 3.08Å; K486-E490 WeakPolarHBondContact O-CG 3.45Å; K486-E490 PolarHBondContact O-N 3.49Å; E490-Q492 PolarHBondContact O-N 3.32Å; E490-V493 PolarHBondContact O-N 2.99Å; E490-R494 WeakPolarHBondContact O-CB 3.37Å; E490-R494 PolarHBondContact O-N 3.4Å
491K96.2Very high97Very high123 Ų12336.4 Ų36.454%0.53518%0.175SC..Hα-helixtrans-62.4-40.4174.4-74168.9-172.8158.80112.5D487 W489 R494 V495D487-K491 WeakPolarHBondContact O-CB 3.35Å; D487-K491 WeakPolarHBondContact O-CD 3.49Å; D487-K491 VanDerWaalsContact O-CG 3.23Å; D487-K491 WeakPolarHBondContact O-CG 3.38Å; D487-K491 PolarHBondContact O-N 3.28Å; D487-K491 VanDerWaalsContact O-N 3.12Å; W489-K491 VanDerWaalsContact C-N 3.3Å; W489-K491 PolarHBondContact O-N 3.19Å; K491-R494 PolarHBondContact O-N 3.02Å; K491-V495 WeakPolarHBondContact O-CG2 3.44Å; K491-V495 PolarHBondContact O-N 3.39Å; K491-V495 VanDerWaalsContact O-N 3.09Å
492Q97.1Very high96.8Very high8 Ų841.9 Ų41.94%0.03720%0.204CC..Hα-helixtrans-72.4-37.6-178.2-167.458.947.800112.2Q454 I455 L458 Q488 W489 E490 R494 V495 L496Q454-Q492 HydrophobicContact CB-CG 3.91Å; I455-Q492 HydrophobicContact CD1-CB 3.85Å; I455-Q492 HydrophobicContact CD1-CG 3.56Å; I455-Q492 HydrophobicContact CG1-CG 3.99Å; L458-Q492 HydrophobicContact CD2-CB 4.19Å; Q488-Q492 WeakPolarHBondContact O-CB 3.48Å; Q488-Q492 PolarHBondContact O-N 2.95Å; Q488-Q492 VanDerWaalsContact O-N 3.09Å; W489-Q492 PolarHBondContact O-N 3.42Å; E490-Q492 PolarHBondContact O-N 3.32Å; Q492-R494 VanDerWaalsContact C-N 3.34Å; Q492-V495 PolarHBondContact O-N 3.28Å; Q492-L496 PolarHBondContact O-N 3.03Å
493V98.1Very high96.5Very high2 Ų242.6 Ų42.61%0.01221%0.208CC..Hα-helixtrans-63.5-42.1174168.90000110.5T395 L428 I455 W489 E490 L496 T497T395-V493 HydrophobicContact CG2-CG1 4.04Å; L428-V493 HydrophobicContact CD1-CG1 4.49Å; L428-V493 HydrophobicContact CD1-CG2 4.34Å; I455-V493 HydrophobicContact CD1-CG2 3.69Å; W489-V493 HydrophobicContact CD2-CG2 4.18Å; W489-V493 HydrophobicContact CG-CG2 4.38Å; W489-V493 HydrophobicContact CZ2-CG2 3.98Å; W489-V493 WeakPolarHBondContact O-CG2 3.33Å; W489-V493 PolarHBondContact O-N 3.15Å; E490-V493 PolarHBondContact O-N 2.99Å; V493-L496 PolarHBondContact O-N 3.22Å; V493-T497 WeakPolarHBondContact O-CB 3.47Å; V493-T497 PolarHBondContact O-N 3.36Å; V493-T497 PolarHBondContact O-OG1 2.97Å
494R96.2Very high96.2Very high154 Ų15441 Ų4158%0.58120%0.2SC*.Hα-helixtrans-57.6-50.1173.3179.2-177.5-66.6-92.1-0.8111.6E490 K491 Q492 L496 T497 E498E490-R494 WeakPolarHBondContact O-CB 3.37Å; E490-R494 PolarHBondContact O-N 3.4Å; K491-R494 PolarHBondContact O-N 3.02Å; Q492-R494 VanDerWaalsContact C-N 3.34Å; R494-L496 VanDerWaalsContact C-N 3.31Å; R494-L496 PolarHBondContact O-N 2.87Å; R494-T497 WeakPolarHBondContact O-CB 3.46Å; R494-T497 PolarHBondContact O-N 2.77Å; R494-T497 VanDerWaalsContact O-N 3.09Å; R494-E498 WeakPolarHBondContact CD-OE1 3.42Å; R494-E498 HydrophobicContact CG-CG 4.44Å; R494-E498 WeakPolarHBondContact CG-OE1 3.5Å; R494-E498 WeakPolarHBondContact O-CG 3.49Å; R494-E498 PolarHBondContact O-N 3.48Å
495V96.4Very high95.8Very high67 Ų6741.5 Ų41.541%0.40621%0.206SC..Hα-helixtrans-59.2-40.8177.2169.80000112A451 K491 Q492 T497 A499A451-V495 HydrophobicContact CB-CG1 4.21Å; K491-V495 WeakPolarHBondContact O-CG2 3.44Å; K491-V495 PolarHBondContact O-N 3.39Å; K491-V495 VanDerWaalsContact O-N 3.09Å; Q492-V495 PolarHBondContact O-N 3.28Å; V495-T497 VanDerWaalsContact C-N 3.34Å; V495-A499 VanDerWaalsContact O-CB 3.3Å; V495-A499 WeakPolarHBondContact O-CB 3.31Å; V495-A499 PolarHBondContact O-N 3.46Å
496L98.1Very high95.5Very high0 Ų042.3 Ų42.30%021%0.21CC..Hα-helixtrans-63.6-42.6175.4179.363000111.5F392 L428 A432 V448 A451 A452 I455 Q492 V493 R494 A499 V500F392-L496 HydrophobicContact CE1-CD2 4.13Å; F392-L496 HydrophobicContact CE1-CG 4.04Å; F392-L496 HydrophobicContact CZ-CD2 4.1Å; F392-L496 HydrophobicContact CZ-CG 4.17Å; L428-L496 HydrophobicContact CB-CD2 4.25Å; A432-L496 HydrophobicContact CB-CD1 3.76Å; A432-L496 HydrophobicContact CB-CD2 4.35Å; A432-L496 HydrophobicContact CB-CG 4.38Å; V448-L496 HydrophobicContact CG1-CD1 4.2Å; A451-L496 HydrophobicContact CB-CB 4.11Å; A451-L496 HydrophobicContact CB-CD1 3.8Å; A452-L496 HydrophobicContact CB-CD1 4.19Å; I455-L496 HydrophobicContact CG1-CD2 3.95Å; Q492-L496 PolarHBondContact O-N 3.03Å; V493-L496 PolarHBondContact O-N 3.22Å; R494-L496 VanDerWaalsContact C-N 3.31Å; R494-L496 PolarHBondContact O-N 2.87Å; L496-A499 PolarHBondContact O-N 3.32Å; L496-V500 HydrophobicContact CD1-CG2 4.26Å; L496-V500 WeakPolarHBondContact O-CB 3.47Å; L496-V500 VanDerWaalsContact O-CG2 3.29Å; L496-V500 WeakPolarHBondContact O-CG2 3.4Å; L496-V500 PolarHBondContact O-N 3.43Å
497T96.7Very high95Very high15 Ų1541.5 Ų41.59%0.09221%0.208CC..Hα-helixtrans-62.5-52.1-179.6-52.50000110.8F392 V493 R494 V495 A499 V500 D501 R549F392-T497 HydrophobicContact CD1-CG2 4.01Å; F392-T497 WeakPolarHBondContact CD1-OG1 3.19Å; V493-T497 WeakPolarHBondContact O-CB 3.47Å; V493-T497 PolarHBondContact O-N 3.36Å; V493-T497 PolarHBondContact O-OG1 2.97Å; R494-T497 WeakPolarHBondContact O-CB 3.46Å; R494-T497 PolarHBondContact O-N 2.77Å; R494-T497 VanDerWaalsContact O-N 3.09Å; V495-T497 VanDerWaalsContact C-N 3.34Å; T497-A499 VanDerWaalsContact C-N 3.33Å; T497-A499 PolarHBondContact O-N 2.84Å; T497-V500 PolarHBondContact O-N 2.88Å; T497-V500 VanDerWaalsContact O-N 3.13Å; T497-D501 VanDerWaalsContact O-CG 3.27Å; T497-D501 PolarHBondContact O-N 3.26Å; T497-R549 VanDerWaalsContact CG2-NH1 3.25Å
498E94.9Very high94.7Very high76 Ų7638.7 Ų38.736%0.35519%0.194SC..Hα-helixtrans-57.9-44.6177.9-70166.5-173.100111.1R494 V500 D501 D502R494-E498 WeakPolarHBondContact CD-OE1 3.42Å; R494-E498 HydrophobicContact CG-CG 4.44Å; R494-E498 WeakPolarHBondContact CG-OE1 3.5Å; R494-E498 WeakPolarHBondContact O-CG 3.49Å; R494-E498 PolarHBondContact O-N 3.48Å; E498-V500 VanDerWaalsContact C-N 3.34Å; E498-V500 PolarHBondContact O-N 3.45Å; E498-D501 PolarHBondContact O-N 3.42Å; E498-D502 PolarHBondContact O-N 3.48Å
499A95.7Very high94.6Very high10 Ų1038 Ų388%0.08319%0.19CC..Hα-helixtrans-65.3-34.917800000113.3V448 V495 L496 T497V448-A499 HydrophobicContact CG2-CB 3.73Å; V448-A499 WeakPolarHBondContact CG2-O 3.48Å; V495-A499 VanDerWaalsContact O-CB 3.3Å; V495-A499 WeakPolarHBondContact O-CB 3.31Å; V495-A499 PolarHBondContact O-N 3.46Å; L496-A499 PolarHBondContact O-N 3.32Å; T497-A499 VanDerWaalsContact C-N 3.33Å; T497-A499 PolarHBondContact O-N 2.84Å
500V97.1Very high94.5Very high0 Ų038 Ų380%019%0.19CC..Hα-helixtrans-69.2-44.8175166.70000110I388 F392 A432 A435 V448 L496 T497 E498 D502 I503 T504I388-V500 HydrophobicContact CD1-CG1 3.57Å; I388-V500 HydrophobicContact CG1-CG1 3.99Å; I388-V500 HydrophobicContact CG2-CG1 4.45Å; F392-V500 HydrophobicContact CZ-CG2 4.15Å; A432-V500 HydrophobicContact CB-CG2 3.8Å; A435-V500 HydrophobicContact CB-CG1 4.24Å; V448-V500 HydrophobicContact CG1-CG2 3.87Å; V448-V500 HydrophobicContact CG2-CG2 4.21Å; L496-V500 HydrophobicContact CD1-CG2 4.26Å; L496-V500 WeakPolarHBondContact O-CB 3.47Å; L496-V500 VanDerWaalsContact O-CG2 3.29Å; L496-V500 WeakPolarHBondContact O-CG2 3.4Å; L496-V500 PolarHBondContact O-N 3.43Å; T497-V500 PolarHBondContact O-N 2.88Å; T497-V500 VanDerWaalsContact O-N 3.13Å; E498-V500 VanDerWaalsContact C-N 3.34Å; E498-V500 PolarHBondContact O-N 3.45Å; V500-D502 VanDerWaalsContact C-N 3.3Å; V500-D502 PolarHBondContact O-N 2.92Å; V500-I503 WeakPolarHBondContact O-CG1 3.35Å; V500-I503 PolarHBondContact O-N 2.87Å; V500-T504 WeakPolarHBondContact O-CG2 3.49Å; V500-T504 PolarHBondContact O-N 2.86Å; V500-T504 PolarHBondContact O-OG1 3.31Å
501D94.4Very high94.1Very high20 Ų2035.5 Ų35.511%0.10718%0.179CC..Hα-helixtrans-59.3-42.8178.6-66.7-27.4000110.3T497 E498 I503 T504 R549T497-D501 VanDerWaalsContact O-CG 3.27Å; T497-D501 PolarHBondContact O-N 3.26Å; E498-D501 PolarHBondContact O-N 3.42Å; D501-I503 PolarHBondContact O-N 2.79Å; D501-I503 VanDerWaalsContact O-N 3.12Å; D501-T504 PolarHBondContact O-N 3.43Å; D501-T504 PolarHBondContact O-OG1 2.96Å; D501-R549 IonicContact OD1-NH2 3.46Å; D501-R549 PolarHBondContact OD1-NH2 2.78Å; D501-R549 IonicContact OD2-NH2 3.41Å; D501-R549 PolarHBondContact OD2-NH2 3.28Å; D501-R549 VanDerWaalsContact OD2-NH2 3.15Å
502D92.2Very high94Very high115 Ų11529.7 Ų29.762%0.61515%0.153SC*.THydrogen-bonded Turntrans-59.6-21.3177.3-78.4-14.4000115.6E498 V500E498-D502 PolarHBondContact O-N 3.48Å; V500-D502 VanDerWaalsContact C-N 3.3Å; V500-D502 PolarHBondContact O-N 2.92Å
503I92.7Very high93.9Very high17 Ų1729.3 Ų29.39%0.08715%0.152CC..THydrogen-bonded Turntrans-103.8-0.2178.966.3161.1000113.6A435 S439 N441 G444 V448 V500 D501A435-I503 HydrophobicContact CB-CD1 4.03Å; S439-I503 PolarHBondContact OG-O 3.35Å; N441-I503 HydrophobicContact CB-CG2 4.24Å; G444-I503 VanDerWaalsContact C-CG2 3.47Å; G444-I503 VanDerWaalsContact CA-CG2 3.45Å; V448-I503 HydrophobicContact CG2-CD1 3.86Å; V448-I503 HydrophobicContact CG2-CG1 4.16Å; V448-I503 HydrophobicContact CG2-CG2 4.4Å; V500-I503 WeakPolarHBondContact O-CG1 3.35Å; V500-I503 PolarHBondContact O-N 2.87Å; D501-I503 PolarHBondContact O-N 2.79Å; D501-I503 VanDerWaalsContact O-N 3.12Å
504T91.9Very high93.7Very high29 Ų2929.6 Ų29.618%0.17815%0.153CC..SBendtrans-110.9155.8-179.859.70000111.6M385 I388 A435 V500 D501M385-T504 HydrophobicContact CE-CG2 4.42Å; M385-T504 HydrophobicContact SD-CG2 3.84Å; I388-T504 HydrophobicContact CD1-CG2 3.6Å; A435-T504 HydrophobicContact CB-CG2 4.46Å; V500-T504 WeakPolarHBondContact O-CG2 3.49Å; V500-T504 PolarHBondContact O-N 2.86Å; V500-T504 PolarHBondContact O-OG1 3.31Å; D501-T504 PolarHBondContact O-N 3.43Å; D501-T504 PolarHBondContact O-OG1 2.96Å
505S88.5Confident93.4Very high42 Ų4225.5 Ų25.529%0.29414%0.143SC..  trans-83131.4179176.40000110.7D507 D508 F509S505-D507 PolarHBondContact O-N 3.23Å; S505-D507 PolarHBondContact OG-N 3.08Å; S505-D507 VanDerWaalsContact OG-N 3.14Å; S505-D508 PolarHBondContact O-N 3.49Å; S505-F509 WeakPolarHBondContact O-CB 3.34Å; S505-F509 PolarHBondContact O-N 3.34Å
506V91.6Very high93.3Very high16 Ų1622.3 Ų22.310%0.09712%0.124CC..Hα-helixtrans-59-33.9170.2172.80000111.4F509 L510 I553 I554 E557 V627V506-F509 PolarHBondContact O-N 3.14Å; V506-L510 HydrophobicContact CG1-CD1 3.82Å; V506-L510 HydrophobicContact CG1-CG 4.22Å; V506-L510 WeakPolarHBondContact O-CB 3.41Å; V506-L510 VanDerWaalsContact O-CG 3.28Å; V506-L510 WeakPolarHBondContact O-CG 3.48Å; V506-L510 PolarHBondContact O-N 2.92Å; V506-I553 HydrophobicContact CG2-CG2 4.02Å; V506-I554 HydrophobicContact CG1-CD1 3.32Å; V506-E557 HydrophobicContact CG2-CB 4.12Å; V506-E557 HydrophobicContact CG2-CG 3.91Å; V506-V627 HydrophobicContact CG1-CG1 4.48Å
507D87.6Confident93.2Very high32 Ų3222.3 Ų22.317%0.17112%0.124CC..Hα-helixtrans-69.6-42.9-179.6-52.2-37.4000111S505 S511 R631S505-D507 PolarHBondContact O-N 3.23Å; S505-D507 PolarHBondContact OG-N 3.08Å; S505-D507 VanDerWaalsContact OG-N 3.14Å; D507-S511 VanDerWaalsContact O-CB 3.31Å; D507-S511 WeakPolarHBondContact O-CB 3.32Å; D507-S511 PolarHBondContact O-N 2.94Å; D507-R631 IonicContact OD1-CZ 3.52Å; D507-R631 IonicContact OD1-NE 3.23Å; D507-R631 PolarHBondContact OD1-NE 2.87Å; D507-R631 VanDerWaalsContact OD1-NE 3.16Å; D507-R631 IonicContact OD1-NH2 3.98Å; D507-R631 PolarHBondContact OD1-NH2 3.37Å; D507-R631 VanDerWaalsContact OD1-NH2 3.08Å; D507-R631 IonicContact OD2-CZ 2.8Å; D507-R631 VanDerWaalsContact OD2-CZ 3.28Å; D507-R631 IonicContact OD2-NE 2.79Å; D507-R631 PolarHBondContact OD2-NE 2.98Å; D507-R631 VanDerWaalsContact OD2-NE 3.13Å; D507-R631 IonicContact OD2-NH2 2.72Å; D507-R631 PolarHBondContact OD2-NH2 3.1Å
508D91.3Very high92.9Very high14 Ų1424.4 Ų24.48%0.07513%0.134CC..Hα-helixtrans-66.3-39.9174.2-70.7-37.7000110.4R381 M385 S505 V512R381-D508 WeakPolarHBondContact CB-OD2 3.42Å; R381-D508 WeakPolarHBondContact CD-OD2 3.28Å; R381-D508 IonicContact CZ-OD2 2.92Å; R381-D508 IonicContact NE-OD2 3.1Å; R381-D508 PolarHBondContact NE-OD2 2.91Å; M385-D508 HydrophobicContact CG-CB 3.79Å; S505-D508 PolarHBondContact O-N 3.49Å; D508-V512 WeakPolarHBondContact O-CB 2.98Å; D508-V512 WeakPolarHBondContact O-CG2 3.27Å; D508-V512 PolarHBondContact O-N 3.36Å
509F94.7Very high92.7Very high4 Ų423.3 Ų23.32%0.01813%0.128CC..Hα-helixtrans-59.8-49.6176.3-177.6-100.4000112.1M385 S505 V506 V512 S513 R549 V550 I553M385-F509 HydrophobicContact CE-CB 3.29Å; M385-F509 HydrophobicContact CE-CD2 3.62Å; M385-F509 HydrophobicContact CE-CG 3.92Å; S505-F509 WeakPolarHBondContact O-CB 3.34Å; S505-F509 PolarHBondContact O-N 3.34Å; V506-F509 PolarHBondContact O-N 3.14Å; F509-V512 PolarHBondContact O-N 3.31Å; F509-S513 WeakPolarHBondContact CE1-OG 3.32Å; F509-S513 VanDerWaalsContact CZ-OG 3.25Å; F509-S513 WeakPolarHBondContact CZ-OG 3.46Å; F509-S513 WeakPolarHBondContact O-CB 3.32Å; F509-S513 PolarHBondContact O-N 2.9Å; F509-S513 PolarHBondContact O-OG 2.66Å; F509-R549 HydrophobicContact CZ-CB 4.03Å; F509-V550 HydrophobicContact CE1-CB 4.33Å; F509-V550 HydrophobicContact CE1-CG2 3.68Å; F509-V550 HydrophobicContact CZ-CG2 4.28Å; F509-I553 HydrophobicContact CD1-CD1 3.85Å; F509-I553 HydrophobicContact CD1-CG2 4.36Å; F509-I553 HydrophobicContact CD2-CD1 3.87Å; F509-I553 HydrophobicContact CE1-CD1 3.53Å; F509-I553 HydrophobicContact CE2-CD1 3.56Å; F509-I553 HydrophobicContact CG-CD1 4.02Å; F509-I553 HydrophobicContact CZ-CD1 3.4Å
510L94.1Very high92.7Very high0 Ų023.1 Ų23.10%013%0.126CC..Hα-helixtrans-65.8-44.7-179.2-75.4169.2000111.5V506 V512 S513 E514 V550 I554 I623 R624 V627V506-L510 HydrophobicContact CG1-CD1 3.82Å; V506-L510 HydrophobicContact CG1-CG 4.22Å; V506-L510 WeakPolarHBondContact O-CB 3.41Å; V506-L510 VanDerWaalsContact O-CG 3.28Å; V506-L510 WeakPolarHBondContact O-CG 3.48Å; V506-L510 PolarHBondContact O-N 2.92Å; L510-V512 VanDerWaalsContact C-N 3.33Å; L510-V512 PolarHBondContact O-N 3.32Å; L510-S513 PolarHBondContact O-N 3.42Å; L510-E514 VanDerWaalsContact O-CB 3.27Å; L510-E514 WeakPolarHBondContact O-CB 3.28Å; L510-E514 PolarHBondContact O-N 2.72Å; L510-V550 HydrophobicContact CD2-CG1 3.9Å; L510-I554 HydrophobicContact CD1-CD1 3.88Å; L510-I554 HydrophobicContact CD2-CD1 4.07Å; L510-I554 HydrophobicContact CD2-CG1 4.22Å; L510-I554 HydrophobicContact CG-CD1 4.15Å; L510-I623 HydrophobicContact CD2-CG2 4.18Å; L510-R624 HydrophobicContact CB-CB 4.28Å; L510-R624 HydrophobicContact CB-CG 4.04Å; L510-R624 HydrophobicContact CD1-CB 4.39Å; L510-R624 HydrophobicContact CD1-CG 4.42Å; L510-V627 HydrophobicContact CD1-CB 4.07Å; L510-V627 HydrophobicContact CD1-CG1 4.11Å; L510-V627 HydrophobicContact CD1-CG2 4.09Å
511S91.2Very high92.6Very high2 Ų223.5 Ų23.51%0.01413%0.128CC..Hα-helixtrans-58.2-45177.3-178.50000111.4K382 D507 N515 D641K382-S511 PolarHBondContact NZ-OG 3.45Å; D507-S511 VanDerWaalsContact O-CB 3.31Å; D507-S511 WeakPolarHBondContact O-CB 3.32Å; D507-S511 PolarHBondContact O-N 2.94Å; S511-N515 PolarHBondContact O-N 2.95Å; S511-N515 PolarHBondContact O-ND2 2.95Å; S511-D641 PolarHBondContact OG-OD2 3.02Å
512V93Very high92.4Very high0 Ų026.7 Ų26.70%015%0.146CC..Hα-helixtrans-73.1-42.2178.5170.60000112.1K382 M385 D386 D508 F509 L510 E514 N515 H516K382-V512 HydrophobicContact CB-CG2 3.95Å; K382-V512 HydrophobicContact CG-CG2 4.21Å; M385-V512 HydrophobicContact CB-CB 3.94Å; M385-V512 HydrophobicContact CB-CG1 4.12Å; M385-V512 HydrophobicContact CB-CG2 3.82Å; D386-V512 VanDerWaalsContact OD1-CG1 3.22Å; D386-V512 WeakPolarHBondContact OD1-CG1 3.41Å; D508-V512 WeakPolarHBondContact O-CB 2.98Å; D508-V512 WeakPolarHBondContact O-CG2 3.27Å; D508-V512 PolarHBondContact O-N 3.36Å; F509-V512 PolarHBondContact O-N 3.31Å; L510-V512 VanDerWaalsContact C-N 3.33Å; L510-V512 PolarHBondContact O-N 3.32Å; V512-E514 VanDerWaalsContact C-N 3.35Å; V512-E514 PolarHBondContact O-N 2.89Å; V512-N515 PolarHBondContact O-N 3.21Å; V512-H516 PolarHBondContact O-CD2 2.93Å; V512-H516 PolarHBondContact O-N 3.45Å
513S95Very high92.5Very high1 Ų125.2 Ų25.21%0.00713%0.134CC..Hα-helixtrans-65.8-36.6-179.2-61.80000112.7F509 L510 H516 I517F509-S513 WeakPolarHBondContact CE1-OG 3.32Å; F509-S513 VanDerWaalsContact CZ-OG 3.25Å; F509-S513 WeakPolarHBondContact CZ-OG 3.46Å; F509-S513 WeakPolarHBondContact O-CB 3.32Å; F509-S513 PolarHBondContact O-N 2.9Å; F509-S513 PolarHBondContact O-OG 2.66Å; L510-S513 PolarHBondContact O-N 3.42Å; S513-H516 PolarHBondContact O-N 2.89Å; S513-I517 WeakPolarHBondContact O-CB 3.13Å; S513-I517 VanDerWaalsContact O-CG1 3.27Å; S513-I517 WeakPolarHBondContact O-CG1 3.39Å; S513-I517 PolarHBondContact O-N 2.95Å
514E93.3Very high92.6Very high7 Ų724.4 Ų24.43%0.03313%0.13CC..Hα-helixtrans-58.3-48.4172.8177.5-179.2174.900111.3L510 V512 I517 L518 Y617 V620 R621 R624L510-E514 VanDerWaalsContact O-CB 3.27Å; L510-E514 WeakPolarHBondContact O-CB 3.28Å; L510-E514 PolarHBondContact O-N 2.72Å; V512-E514 VanDerWaalsContact C-N 3.35Å; V512-E514 PolarHBondContact O-N 2.89Å; E514-I517 PolarHBondContact O-N 3.46Å; E514-L518 PolarHBondContact O-N 3.35Å; E514-Y617 HydrophobicContact CG-CD2 4.17Å; E514-Y617 HydrophobicContact CG-CE2 3.48Å; E514-Y617 VanDerWaalsContact CG-CE2 3.48Å; E514-Y617 PolarHBondContact OE1-OH 2.87Å; E514-V620 HydrophobicContact CB-CG1 4.21Å; E514-R621 WeakPolarHBondContact OE1-CD 3.38Å; E514-R621 WeakPolarHBondContact OE1-CG 3.15Å; E514-R624 WeakPolarHBondContact OE2-CD 3.38Å; E514-R624 IonicContact OE2-CZ 2.72Å; E514-R624 IonicContact OE2-NE 2.78Å; E514-R624 IonicContact OE2-NH1 3.22Å; E514-R624 PolarHBondContact OE2-NH1 3.39Å
515N91.2Very high92.6Very high69 Ų6924.1 Ų24.137%0.36913%0.128SC..Hα-helixtrans-64.8-43.9178.1-73.8-58.8000111.9S511 V512 I517 L518 E519S511-N515 PolarHBondContact O-N 2.95Å; S511-N515 PolarHBondContact O-ND2 2.95Å; V512-N515 PolarHBondContact O-N 3.21Å; N515-I517 VanDerWaalsContact C-N 3.34Å; N515-I517 PolarHBondContact O-N 3.38Å; N515-L518 WeakPolarHBondContact O-CB 3.48Å; N515-L518 PolarHBondContact O-N 3.42Å; N515-E519 WeakPolarHBondContact O-CG 3.38Å; N515-E519 PolarHBondContact O-N 3.39Å
516H94Very high92.7Very high0 Ų026.1 Ų26.10%013%0.134CC..Hα-helixtrans-63.6-39.1177.8-75.9-161.4000112.5R324 D386 S389 D390 V512 S513 L518 E519 D520 R546R324-H516 PolarHBondContact NH2-CE1 2.66Å; D386-H516 IonicContact OD1-CE1 3.66Å; D386-H516 IonicContact OD1-NE2 3.37Å; D386-H516 PolarHBondContact OD1-NE2 2.81Å; S389-H516 PolarHBondContact OG-ND1 3.28Å; D390-H516 IonicContact OD1-CE1 2.82Å; D390-H516 IonicContact OD1-ND1 3.66Å; V512-H516 PolarHBondContact O-CD2 2.93Å; V512-H516 PolarHBondContact O-N 3.45Å; S513-H516 PolarHBondContact O-N 2.89Å; H516-L518 VanDerWaalsContact C-N 3.33Å; H516-E519 WeakPolarHBondContact O-CB 3.17Å; H516-E519 PolarHBondContact O-N 3.12Å; H516-D520 WeakPolarHBondContact O-CB 3.16Å; H516-D520 PolarHBondContact O-N 3.43Å; H516-R546 PolarHBondContact ND1-NH1 3.04Å
517I95.2Very high92.8Very high0 Ų025.5 Ų25.50%013%0.131CC..Hα-helixtrans-65-40.3174.8-74.8170.3000110.5S513 E514 N515 D520 V521 R546 V616 V620S513-I517 WeakPolarHBondContact O-CB 3.13Å; S513-I517 VanDerWaalsContact O-CG1 3.27Å; S513-I517 WeakPolarHBondContact O-CG1 3.39Å; S513-I517 PolarHBondContact O-N 2.95Å; E514-I517 PolarHBondContact O-N 3.46Å; N515-I517 VanDerWaalsContact C-N 3.34Å; N515-I517 PolarHBondContact O-N 3.38Å; I517-D520 PolarHBondContact O-N 3.06Å; I517-V521 HydrophobicContact CG2-CG2 4.27Å; I517-V521 WeakPolarHBondContact O-CB 3.44Å; I517-V521 VanDerWaalsContact O-CG2 3.24Å; I517-V521 WeakPolarHBondContact O-CG2 3.45Å; I517-V521 PolarHBondContact O-N 3.02Å; I517-R546 HydrophobicContact CD1-CB 4.12Å; I517-R546 HydrophobicContact CG1-CB 3.99Å; I517-V616 HydrophobicContact CG2-CG1 4.04Å; I517-V620 HydrophobicContact CD1-CB 4.22Å; I517-V620 HydrophobicContact CD1-CG1 4.25Å; I517-V620 HydrophobicContact CD1-CG2 3.45Å; I517-V620 VanDerWaalsContact CD1-CG2 3.45Å
518L91.9Very high93.1Very high59 Ų5924.2 Ų24.231%0.30912%0.124SC..Hα-helixtrans-62.4-43.8175.1-175.459.8000112E514 N515 H516 V521 N522 Y617E514-L518 PolarHBondContact O-N 3.35Å; N515-L518 WeakPolarHBondContact O-CB 3.48Å; N515-L518 PolarHBondContact O-N 3.42Å; H516-L518 VanDerWaalsContact C-N 3.33Å; L518-V521 PolarHBondContact O-N 3.43Å; L518-N522 PolarHBondContact O-N 3.5Å; L518-N522 PolarHBondContact O-ND2 2.88Å; L518-Y617 HydrophobicContact CB-CD2 3.72Å; L518-Y617 HydrophobicContact CB-CE2 3.87Å; L518-Y617 HydrophobicContact CD1-CD2 4.02Å; L518-Y617 HydrophobicContact CD1-CE2 4.27Å; L518-Y617 HydrophobicContact CD1-CG 4.21Å; L518-Y617 HydrophobicContact CD2-CE2 4.07Å; L518-Y617 HydrophobicContact CG-CD2 4.31Å; L518-Y617 HydrophobicContact CG-CE2 4.29Å
519E91Very high93Very high52 Ų5229.7 Ų29.724%0.24315%0.149CC..Hα-helixtrans-58.6-46.7173.6-72.2173.7-160.900111.8R324 N515 H516 N522 K523R324-E519 IonicContact CZ-OE2 2.76Å; R324-E519 IonicContact NE-OE1 2.88Å; R324-E519 IonicContact NE-OE2 3.6Å; R324-E519 PolarHBondContact NE-OE2 3.18Å; R324-E519 IonicContact NH2-OE2 3.52Å; N515-E519 WeakPolarHBondContact O-CG 3.38Å; N515-E519 PolarHBondContact O-N 3.39Å; H516-E519 WeakPolarHBondContact O-CB 3.17Å; H516-E519 PolarHBondContact O-N 3.12Å; E519-N522 PolarHBondContact O-N 3.47Å; E519-K523 WeakPolarHBondContact O-CG 3.38Å; E519-K523 PolarHBondContact O-N 2.82Å
520D95.1Very high92.9Very high7 Ų736.4 Ų36.44%0.03718%0.181CC..Hα-helixtrans-69.7-37.1-178.1-66.9-23.4000110.9H516 I517 N522 K523 C524 T539 I543 R546H516-D520 WeakPolarHBondContact O-CB 3.16Å; H516-D520 PolarHBondContact O-N 3.43Å; I517-D520 PolarHBondContact O-N 3.06Å; D520-N522 PolarHBondContact O-N 3.23Å; D520-K523 PolarHBondContact O-N 2.89Å; D520-K523 IonicContact OD1-NZ 3.67Å; D520-K523 PolarHBondContact OD1-NZ 3.49Å; D520-K523 VanDerWaalsContact OD1-NZ 3.14Å; D520-C524 PolarHBondContact O-N 3.3Å; D520-T539 HydrophobicContact CB-CG2 3.89Å; D520-T539 WeakPolarHBondContact O-CG2 3.25Å; D520-I543 HydrophobicContact CB-CD1 4.11Å; D520-I543 HydrophobicContact CB-CG1 3.6Å; D520-R546 IonicContact OD2-CZ 3.66Å; D520-R546 IonicContact OD2-NE 3.57Å; D520-R546 PolarHBondContact OD2-NE 3.25Å; D520-R546 IonicContact OD2-NH2 2.8Å; D520-R546 PolarHBondContact OD2-NH2 2.97Å
521V94.4Very high92.8Very high7 Ų738.1 Ų38.14%0.04220%0.198CC..Hα-helixtrans-59.5-46.3171.2162.60000110.9I517 L518 K523 C524 V525 I543 S613I517-V521 HydrophobicContact CG2-CG2 4.27Å; I517-V521 WeakPolarHBondContact O-CB 3.44Å; I517-V521 VanDerWaalsContact O-CG2 3.24Å; I517-V521 WeakPolarHBondContact O-CG2 3.45Å; I517-V521 PolarHBondContact O-N 3.02Å; L518-V521 PolarHBondContact O-N 3.43Å; V521-K523 VanDerWaalsContact C-N 3.34Å; V521-K523 PolarHBondContact O-N 3.23Å; V521-C524 WeakPolarHBondContact O-CB 3.43Å; V521-C524 PolarHBondContact O-N 2.96Å; V521-V525 WeakPolarHBondContact O-CG2 3.36Å; V521-V525 PolarHBondContact O-N 3.44Å; V521-I543 HydrophobicContact CG2-CD1 3.97Å; V521-S613 WeakPolarHBondContact CG2-O 3.49Å
522N91.1Very high92.9Very high88 Ų8840.7 Ų40.747%0.47121%0.212SC..Hα-helixtrans-62.6-41.2177.3-72.4-32.8000111.8L518 E519 D520 V525 I526L518-N522 PolarHBondContact O-N 3.5Å; L518-N522 PolarHBondContact O-ND2 2.88Å; E519-N522 PolarHBondContact O-N 3.47Å; D520-N522 PolarHBondContact O-N 3.23Å; N522-V525 PolarHBondContact O-N 2.87Å; N522-I526 WeakPolarHBondContact O-CG1 3.5Å; N522-I526 PolarHBondContact O-N 3.5Å
523K93.8Very high93Very high84 Ų8442.2 Ų42.237%0.36522%0.221SC..Hα-helixtrans-63-39.8174.4-72.3171.2-161153.40112.2E519 D520 V521 I526 A527 T539E519-K523 WeakPolarHBondContact O-CG 3.38Å; E519-K523 PolarHBondContact O-N 2.82Å; D520-K523 PolarHBondContact O-N 2.89Å; D520-K523 IonicContact OD1-NZ 3.67Å; D520-K523 PolarHBondContact OD1-NZ 3.49Å; D520-K523 VanDerWaalsContact OD1-NZ 3.14Å; V521-K523 VanDerWaalsContact C-N 3.34Å; V521-K523 PolarHBondContact O-N 3.23Å; K523-I526 PolarHBondContact O-N 3.33Å; K523-A527 WeakPolarHBondContact O-CB 3.46Å; K523-A527 PolarHBondContact O-N 3.18Å; K523-T539 HydrophobicContact CB-CG2 3.79Å
524C94.2Very high93Very high0 Ų048.6 Ų48.60%026%0.255CS..Hα-helixtrans-60-45173.5-84.90000111.7D520 V521 A527 L528 L536 T539 F609D520-C524 PolarHBondContact O-N 3.3Å; V521-C524 WeakPolarHBondContact O-CB 3.43Å; V521-C524 PolarHBondContact O-N 2.96Å; C524-A527 PolarHBondContact O-N 2.86Å; C524-L528 VanDerWaalsContact O-CB 3.26Å; C524-L528 WeakPolarHBondContact O-CB 3.29Å; C524-L528 PolarHBondContact O-N 3.47Å; C524-L536 HydrophobicContact CB-CD1 4.14Å; C524-T539 VanDerWaalsContact SG-CG2 3.52Å; C524-F609 HydrophobicContact CB-CE1 4.2Å; C524-F609 HydrophobicContact CB-CZ 4.03Å
525V91.7Very high93.1Very high23 Ų2350.4 Ų50.414%0.13927%0.266CS..Hα-helixtrans-64.7-39.9178.6175.40000111.6V521 N522 L528 Q529 F609 I610V521-V525 WeakPolarHBondContact O-CG2 3.36Å; V521-V525 PolarHBondContact O-N 3.44Å; N522-V525 PolarHBondContact O-N 2.87Å; V525-L528 WeakPolarHBondContact O-CB 3.3Å; V525-Q529 VanDerWaalsContact O-CG 3.3Å; V525-Q529 WeakPolarHBondContact O-CG 3.45Å; V525-Q529 PolarHBondContact O-N 2.86Å; V525-Q529 VanDerWaalsContact O-N 3.08Å; V525-F609 HydrophobicContact CG2-CE1 4.48Å; V525-I610 HydrophobicContact CG1-CD1 4.46Å; V525-I610 HydrophobicContact CG1-CG1 4.34Å; V525-I610 HydrophobicContact CG2-CG1 4.1Å
526I91.8Very high93.3Very high84 Ų8447.1 Ų47.143%0.43125%0.249SC..Hα-helixtrans-65.5-49.5175.8-66.7165.3000110.7N522 K523 L528 Q529 E530N522-I526 WeakPolarHBondContact O-CG1 3.5Å; N522-I526 PolarHBondContact O-N 3.5Å; K523-I526 PolarHBondContact O-N 3.33Å; I526-L528 PolarHBondContact O-N 2.88Å; I526-Q529 PolarHBondContact O-N 2.91Å; I526-Q529 VanDerWaalsContact O-N 3.08Å; I526-E530 HydrophobicContact CG2-CG 4.34Å; I526-E530 WeakPolarHBondContact O-CG 3.31Å; I526-E530 PolarHBondContact O-N 2.94Å
527A94.2Very high93.3Very high3 Ų351 Ų513%0.02527%0.27CS..Hα-helixtrans-59.3-3817900000112K523 C524 E530 G531 D532 T535 L536K523-A527 WeakPolarHBondContact O-CB 3.46Å; K523-A527 PolarHBondContact O-N 3.18Å; C524-A527 PolarHBondContact O-N 2.86Å; A527-E530 PolarHBondContact O-N 3.42Å; A527-G531 PolarHBondContact O-N 3.02Å; A527-D532 HydrophobicContact CB-CB 4.47Å; A527-D532 PolarHBondContact O-N 3.15Å; A527-T535 HydrophobicContact CB-CG2 3.92Å; A527-L536 HydrophobicContact CB-CB 4.12Å
528L92.2Very high93.3Very high5 Ų558.9 Ų58.93%0.02630%0.299CS..Hα-helixtrans-60.5-48.8173.3-171.280.5000111.9C524 V525 I526 E530 G531 L536 A592 L596 F604 E606 F609C524-L528 VanDerWaalsContact O-CB 3.26Å; C524-L528 WeakPolarHBondContact O-CB 3.29Å; C524-L528 PolarHBondContact O-N 3.47Å; V525-L528 WeakPolarHBondContact O-CB 3.3Å; I526-L528 PolarHBondContact O-N 2.88Å; L528-E530 VanDerWaalsContact C-N 3.3Å; L528-E530 PolarHBondContact O-N 3.45Å; L528-G531 PolarHBondContact O-N 3.03Å; L528-L536 HydrophobicContact CD1-CD2 3.91Å; L528-A592 HydrophobicContact CD1-CB 3.64Å; L528-L596 HydrophobicContact CD1-CD1 4.26Å; L528-F604 HydrophobicContact CD1-CE2 3.68Å; L528-F604 HydrophobicContact CD1-CZ 3.44Å; L528-F604 VanDerWaalsContact CD1-CZ 3.44Å; L528-F604 HydrophobicContact CD2-CE2 3.93Å; L528-F604 HydrophobicContact CD2-CZ 4Å; L528-F604 HydrophobicContact CG-CE2 4.08Å; L528-F604 HydrophobicContact CG-CZ 3.72Å; L528-E606 HydrophobicContact CD2-CG 4.26Å; L528-F609 HydrophobicContact CD2-CB 4.35Å; L528-F609 HydrophobicContact CD2-CD1 3.57Å; L528-F609 HydrophobicContact CD2-CE1 4.07Å; L528-F609 HydrophobicContact CD2-CG 4Å
529Q90.2Very high93.4Very high128 Ų12856.2 Ų56.260%0.59829%0.285SS*.Hα-helixtrans-66.3-31.9180-73174.7-8.300112.8V525 I526V525-Q529 VanDerWaalsContact O-CG 3.3Å; V525-Q529 WeakPolarHBondContact O-CG 3.45Å; V525-Q529 PolarHBondContact O-N 2.86Å; V525-Q529 VanDerWaalsContact O-N 3.08Å; I526-Q529 PolarHBondContact O-N 2.91Å; I526-Q529 VanDerWaalsContact O-N 3.08Å
530E92.9Very high93.7Very high146 Ų14653.7 Ų53.768%0.68227%0.274SS*.Hα-helixtrans-83.9-11.3176.8-67.6-179.4167.900113I526 A527 L528 D532I526-E530 HydrophobicContact CG2-CG 4.34Å; I526-E530 WeakPolarHBondContact O-CG 3.31Å; I526-E530 PolarHBondContact O-N 2.94Å; A527-E530 PolarHBondContact O-N 3.42Å; L528-E530 VanDerWaalsContact C-N 3.3Å; L528-E530 PolarHBondContact O-N 3.45Å; E530-D532 VanDerWaalsContact C-N 3.28Å
531G90.7Very high93.7Very high35 Ų3553.9 Ų53.936%0.36128%0.277SS..THydrogen-bonded Turntrans70.720.9-175.400000114A527 L528 V533A527-G531 PolarHBondContact O-N 3.02Å; L528-G531 PolarHBondContact O-N 3.03Å; G531-V533 PolarHBondContact O-N 3.35Å
532D94.5Very high93.7Very high57 Ų5754.2 Ų54.231%0.30528%0.28SS..  trans-83.291.3178.2-175.9-7.2000110.7A527 E530 D534 T535 L536A527-D532 HydrophobicContact CB-CB 4.47Å; A527-D532 PolarHBondContact O-N 3.15Å; E530-D532 VanDerWaalsContact C-N 3.28Å; D532-D534 PolarHBondContact O-N 2.85Å; D532-D534 PolarHBondContact OD1-N 3.07Å; D532-T535 VanDerWaalsContact CG-CB 3.46Å; D532-T535 VanDerWaalsContact CG-OG1 3.29Å; D532-T535 PolarHBondContact OD1-N 3.38Å; D532-T535 VanDerWaalsContact OD1-N 3.07Å; D532-T535 WeakPolarHBondContact OD2-CB 3.19Å; D532-T535 PolarHBondContact OD2-OG1 3.03Å; D532-L536 VanDerWaalsContact O-CB 3.3Å; D532-L536 WeakPolarHBondContact O-CB 3.41Å; D532-L536 PolarHBondContact O-N 2.87Å
533V94.3Very high94Very high32 Ų3250 Ų5019%0.19426%0.258CS..Hα-helixtrans-63.2-39.7-177.9179.20000112.4G531 L536 D537 I593 L596G531-V533 PolarHBondContact O-N 3.35Å; V533-L536 PolarHBondContact O-N 3.27Å; V533-D537 PolarHBondContact O-N 3.41Å; V533-I593 HydrophobicContact CG1-CB 4.45Å; V533-I593 HydrophobicContact CG1-CG1 4.27Å; V533-I593 HydrophobicContact CG1-CG2 3.84Å; V533-L596 HydrophobicContact CG2-CB 3.6Å; V533-L596 HydrophobicContact CG2-CD1 4.31Å
534D94.7Very high94.1Very high135 Ų13550.1 Ų50.172%0.72226%0.256SS*.Hα-helixtrans-68.3-43.8-176.4-70.3-31.8000110.8D532 R538D532-D534 PolarHBondContact O-N 2.85Å; D532-D534 PolarHBondContact OD1-N 3.07Å; D534-R538 WeakPolarHBondContact O-CB 3.24Å; D534-R538 PolarHBondContact O-N 3.22Å; D534-R538 VanDerWaalsContact O-N 3.11Å
535T95.8Very high94.1Very high45 Ų4551 Ų5128%0.27627%0.266SS..Hα-helixtrans-67.7-37.5175.3-63.90000111.5A527 D532 T539A527-T535 HydrophobicContact CB-CG2 3.92Å; D532-T535 VanDerWaalsContact CG-CB 3.46Å; D532-T535 VanDerWaalsContact CG-OG1 3.29Å; D532-T535 PolarHBondContact OD1-N 3.38Å; D532-T535 VanDerWaalsContact OD1-N 3.07Å; D532-T535 WeakPolarHBondContact OD2-CB 3.19Å; D532-T535 PolarHBondContact OD2-OG1 3.03Å; T535-T539 VanDerWaalsContact O-CB 3.23Å; T535-T539 WeakPolarHBondContact O-CB 3.43Å; T535-T539 PolarHBondContact O-N 3.4Å; T535-T539 PolarHBondContact O-OG1 3.48Å
536L96.1Very high94.3Very high0 Ų050.4 Ų50.40%026%0.261CS..Hα-helixtrans-60.7-51.8176.3176.660.7000111.6C524 A527 L528 D532 V533 T539 A540 A592 I593 L596 F609C524-L536 HydrophobicContact CB-CD1 4.14Å; A527-L536 HydrophobicContact CB-CB 4.12Å; L528-L536 HydrophobicContact CD1-CD2 3.91Å; D532-L536 VanDerWaalsContact O-CB 3.3Å; D532-L536 WeakPolarHBondContact O-CB 3.41Å; D532-L536 PolarHBondContact O-N 2.87Å; V533-L536 PolarHBondContact O-N 3.27Å; L536-T539 PolarHBondContact O-N 2.91Å; L536-A540 VanDerWaalsContact O-CB 3.27Å; L536-A540 WeakPolarHBondContact O-CB 3.33Å; L536-A540 PolarHBondContact O-N 3.19Å; L536-A592 HydrophobicContact CD2-CB 4.13Å; L536-I593 HydrophobicContact CD2-CG1 4Å; L536-I593 HydrophobicContact CG-CG1 4.36Å; L536-L596 HydrophobicContact CD2-CD1 4.24Å; L536-F609 HydrophobicContact CD1-CE2 4.22Å; L536-F609 HydrophobicContact CD1-CZ 3.73Å
537D94.7Very high94.6Very high81 Ų8146.4 Ų46.443%0.43324%0.24SC..Hα-helixtrans-63.1-46-179.2-175.442.2000111.8V533 T539 A540 G541 R544 I593V533-D537 PolarHBondContact O-N 3.41Å; D537-T539 PolarHBondContact O-N 2.97Å; D537-A540 PolarHBondContact O-N 3.31Å; D537-G541 PolarHBondContact O-N 3.27Å; D537-R544 IonicContact OD1-NH2 3.71Å; D537-I593 HydrophobicContact CB-CD1 3.73Å
538R93.7Very high94.7Very high165 Ų16548.8 Ų48.862%0.62326%0.26SS*.Hα-helixtrans-61.3-43.5178.7-170.2-176.368.782.13.1112.1D534 G541 A542D534-R538 WeakPolarHBondContact O-CB 3.24Å; D534-R538 PolarHBondContact O-N 3.22Å; D534-R538 VanDerWaalsContact O-N 3.11Å; R538-G541 PolarHBondContact O-N 3.1Å; R538-A542 PolarHBondContact O-N 3.08Å
539T95.3Very high94.9Very high3 Ų349.9 Ų49.92%0.01826%0.264CS..Hα-helixtrans-71.2-38.9-179.9-52.60000111.3D520 K523 C524 T535 L536 D537 G541 A542 I543D520-T539 HydrophobicContact CB-CG2 3.89Å; D520-T539 WeakPolarHBondContact O-CG2 3.25Å; K523-T539 HydrophobicContact CB-CG2 3.79Å; C524-T539 VanDerWaalsContact SG-CG2 3.52Å; T535-T539 VanDerWaalsContact O-CB 3.23Å; T535-T539 WeakPolarHBondContact O-CB 3.43Å; T535-T539 PolarHBondContact O-N 3.4Å; T535-T539 PolarHBondContact O-OG1 3.48Å; L536-T539 PolarHBondContact O-N 2.91Å; D537-T539 PolarHBondContact O-N 2.97Å; T539-G541 VanDerWaalsContact C-N 3.3Å; T539-G541 PolarHBondContact O-N 2.99Å; T539-A542 WeakPolarHBondContact O-CB 3.44Å; T539-A542 PolarHBondContact O-N 3.04Å; T539-A542 VanDerWaalsContact O-N 3.16Å; T539-I543 WeakPolarHBondContact O-CG1 3.45Å; T539-I543 PolarHBondContact O-N 3.32Å
540A96.2Very high95.2Very high0 Ų043.8 Ų43.80%024%0.236CC..Hα-helixtrans-63.5-37.6172.900000111.9L536 D537 I543 R544 F585 V589L536-A540 VanDerWaalsContact O-CB 3.27Å; L536-A540 WeakPolarHBondContact O-CB 3.33Å; L536-A540 PolarHBondContact O-N 3.19Å; D537-A540 PolarHBondContact O-N 3.31Å; A540-I543 PolarHBondContact O-N 3.07Å; A540-R544 WeakPolarHBondContact O-CG 3.48Å; A540-R544 PolarHBondContact O-N 3.11Å; A540-F585 HydrophobicContact CB-CE1 4.11Å; A540-F585 HydrophobicContact CB-CZ 4Å; A540-V589 HydrophobicContact CB-CB 4.32Å; A540-V589 HydrophobicContact CB-CG1 3.64Å; A540-V589 HydrophobicContact CB-CG2 3.7Å
541G94.7Very high95.4Very high11 Ų1138.1 Ų38.111%0.11321%0.21CC..Hα-helixtrans-56.2-46.8169.900000112.4D537 R538 T539 I543 R544 G545D537-G541 PolarHBondContact O-N 3.27Å; R538-G541 PolarHBondContact O-N 3.1Å; T539-G541 VanDerWaalsContact C-N 3.3Å; T539-G541 PolarHBondContact O-N 2.99Å; G541-I543 PolarHBondContact O-N 3.41Å; G541-R544 PolarHBondContact O-N 2.78Å; G541-G545 PolarHBondContact O-N 3.16Å
542A94.9Very high95.6Very high13 Ų1340.3 Ų40.311%0.10721%0.211CC..Hα-helixtrans-61.8-43.4176.600000112.5L393 R538 T539 R544 G545 R546L393-A542 HydrophobicContact CD2-CB 3.92Å; R538-A542 PolarHBondContact O-N 3.08Å; T539-A542 WeakPolarHBondContact O-CB 3.44Å; T539-A542 PolarHBondContact O-N 3.04Å; T539-A542 VanDerWaalsContact O-N 3.16Å; A542-R544 PolarHBondContact O-N 2.67Å; A542-G545 PolarHBondContact O-N 3.1Å; A542-R546 WeakPolarHBondContact O-CG 3.1Å; A542-R546 PolarHBondContact O-N 3.06Å
543I96.7Very high95.6Very high0 Ų038.3 Ų38.30%020%0.2CC..Hα-helixtrans-59-48.4175.1-67.8169.6000110.6D520 V521 T539 A540 G541 G545 R546 A547 F585 V616D520-I543 HydrophobicContact CB-CD1 4.11Å; D520-I543 HydrophobicContact CB-CG1 3.6Å; V521-I543 HydrophobicContact CG2-CD1 3.97Å; T539-I543 WeakPolarHBondContact O-CG1 3.45Å; T539-I543 PolarHBondContact O-N 3.32Å; A540-I543 PolarHBondContact O-N 3.07Å; G541-I543 PolarHBondContact O-N 3.41Å; I543-G545 VanDerWaalsContact C-N 3.34Å; I543-G545 PolarHBondContact O-N 2.85Å; I543-R546 PolarHBondContact O-N 2.89Å; I543-A547 WeakPolarHBondContact O-CB 3.43Å; I543-A547 PolarHBondContact O-N 3.26Å; I543-F585 HydrophobicContact CB-CE1 3.99Å; I543-F585 HydrophobicContact CB-CZ 4.22Å; I543-F585 HydrophobicContact CD1-CE1 4.33Å; I543-F585 HydrophobicContact CD1-CE2 4.34Å; I543-F585 HydrophobicContact CD1-CZ 3.67Å; I543-F585 HydrophobicContact CG2-CD1 4.25Å; I543-F585 HydrophobicContact CG2-CE1 3.72Å; I543-F585 HydrophobicContact CG2-CZ 4.06Å; I543-V616 HydrophobicContact CG2-CB 4.44Å; I543-V616 HydrophobicContact CG2-CG1 3.69Å; I543-V616 HydrophobicContact CG2-CG2 4.46Å
544R96.1Very high95.7Very high86 Ų8636.8 Ų36.833%0.32519%0.19SC..Hα-helixtrans-58.2-46.1177.2-71.2-175.7-63.2-105.24.7111.5D537 A540 G541 A542 A548 M582 F585D537-R544 IonicContact OD1-NH2 3.71Å; A540-R544 WeakPolarHBondContact O-CG 3.48Å; A540-R544 PolarHBondContact O-N 3.11Å; G541-R544 PolarHBondContact O-N 2.78Å; A542-R544 PolarHBondContact O-N 2.67Å; R544-A548 WeakPolarHBondContact O-CB 3.21Å; R544-A548 PolarHBondContact O-N 3.45Å; R544-M582 HydrophobicContact CB-CE 4.14Å; R544-M582 HydrophobicContact CG-CE 3.65Å; R544-F585 HydrophobicContact CG-CD1 4.5Å; R544-F585 HydrophobicContact CG-CE1 4.42Å
545G95.1Very high95.7Very high20 Ų2033 Ų3321%0.20617%0.17CC..Hα-helixtrans-61.6-45.2177.600000112.8G541 A542 I543 A548 R549G541-G545 PolarHBondContact O-N 3.16Å; A542-G545 PolarHBondContact O-N 3.1Å; I543-G545 VanDerWaalsContact C-N 3.34Å; I543-G545 PolarHBondContact O-N 2.85Å; G545-A548 PolarHBondContact O-N 2.86Å; G545-R549 PolarHBondContact O-N 3.23Å
546R96.5Very high95.5Very high9 Ų932.8 Ų32.83%0.03417%0.173CC..Hα-helixtrans-68.7-43.8-178.5-72.6-170.1-149.8-87.14111.2S389 D390 L393 H516 I517 D520 A542 I543 A548 R549 V550S389-R546 VanDerWaalsContact C-NH1 3.32Å; S389-R546 PolarHBondContact O-NH1 3.04Å; S389-R546 VanDerWaalsContact O-NH1 3.11Å; S389-R546 PolarHBondContact OG-NH1 3.49Å; D390-R546 IonicContact OD1-CZ 3.89Å; D390-R546 VanDerWaalsContact OD1-CZ 3.26Å; D390-R546 IonicContact OD1-NH1 3.97Å; D390-R546 PolarHBondContact OD1-NH1 2.81Å; D390-R546 IonicContact OD1-NH2 3.9Å; D390-R546 PolarHBondContact OD1-NH2 2.95Å; L393-R546 HydrophobicContact CD1-CB 4.34Å; L393-R546 HydrophobicContact CD1-CG 3.66Å; L393-R546 VanDerWaalsContact CD1-N 3.32Å; L393-R546 HydrophobicContact CD2-CG 4.21Å; H516-R546 PolarHBondContact ND1-NH1 3.04Å; I517-R546 HydrophobicContact CD1-CB 4.12Å; I517-R546 HydrophobicContact CG1-CB 3.99Å; D520-R546 IonicContact OD2-CZ 3.66Å; D520-R546 IonicContact OD2-NE 3.57Å; D520-R546 PolarHBondContact OD2-NE 3.25Å; D520-R546 IonicContact OD2-NH2 2.8Å; D520-R546 PolarHBondContact OD2-NH2 2.97Å; A542-R546 WeakPolarHBondContact O-CG 3.1Å; A542-R546 PolarHBondContact O-N 3.06Å; I543-R546 PolarHBondContact O-N 2.89Å; R546-A548 VanDerWaalsContact C-N 3.3Å; R546-A548 PolarHBondContact O-N 3.31Å; R546-R549 PolarHBondContact O-N 3.44Å; R546-V550 WeakPolarHBondContact O-CG2 3.35Å; R546-V550 PolarHBondContact O-N 3.17Å
547A97.5Very high95.2Very high0 Ų034.9 Ų34.90%018%0.183CC..Hα-helixtrans-58.8-43.9174.500000111.2I543 R549 V550 I551 L577 M582I543-A547 WeakPolarHBondContact O-CB 3.43Å; I543-A547 PolarHBondContact O-N 3.26Å; A547-R549 PolarHBondContact O-N 2.9Å; A547-V550 PolarHBondContact O-N 3.1Å; A547-I551 WeakPolarHBondContact O-CD1 3.37Å; A547-I551 VanDerWaalsContact O-CG1 3.31Å; A547-I551 WeakPolarHBondContact O-CG1 3.46Å; A547-I551 PolarHBondContact O-N 3.24Å; A547-L577 HydrophobicContact CB-CD2 4.41Å; A547-M582 HydrophobicContact CB-CE 4.13Å; A547-M582 HydrophobicContact CB-CG 4.07Å; A547-M582 HydrophobicContact CB-SD 3.5Å; A547-M582 WeakPolarHBondContact CB-SD 3.44Å
548A96.1Very high95Very high54 Ų5431.6 Ų31.645%0.44617%0.165SC..Hα-helixtrans-62.7-40175.600000112.8R544 G545 R546 I551 H552R544-A548 WeakPolarHBondContact O-CB 3.21Å; R544-A548 PolarHBondContact O-N 3.45Å; G545-A548 PolarHBondContact O-N 2.86Å; R546-A548 VanDerWaalsContact C-N 3.3Å; R546-A548 PolarHBondContact O-N 3.31Å; A548-I551 PolarHBondContact O-N 2.93Å; A548-H552 WeakPolarHBondContact O-CB 3.07Å; A548-H552 PolarHBondContact O-N 3.31Å
549R95.4Very high94.8Very high27 Ų2731.5 Ų31.510%0.10217%0.171CC..Hα-helixtrans-63.3-44.1173.3-76.5-166.966.78710.2112.2F392 T497 D501 F509 G545 R546 A547 I551 H552 I553F392-R549 PolarHBondContact O-NH1 2.98Å; T497-R549 VanDerWaalsContact CG2-NH1 3.25Å; D501-R549 IonicContact OD1-NH2 3.46Å; D501-R549 PolarHBondContact OD1-NH2 2.78Å; D501-R549 IonicContact OD2-NH2 3.41Å; D501-R549 PolarHBondContact OD2-NH2 3.28Å; D501-R549 VanDerWaalsContact OD2-NH2 3.15Å; F509-R549 HydrophobicContact CZ-CB 4.03Å; G545-R549 PolarHBondContact O-N 3.23Å; R546-R549 PolarHBondContact O-N 3.44Å; A547-R549 PolarHBondContact O-N 2.9Å; R549-I551 PolarHBondContact O-N 3.14Å; R549-H552 PolarHBondContact O-N 2.68Å; R549-I553 WeakPolarHBondContact O-CB 3.47Å; R549-I553 WeakPolarHBondContact O-CG1 3.49Å; R549-I553 PolarHBondContact O-N 3.36Å
550V97.1Very high94.3Very high0 Ų037.1 Ų37.10%020%0.202CC..Hα-helixtrans-55.7-51.6174.1170.90000110.4F509 L510 R546 A547 H552 I553 I554 V620 I623F509-V550 HydrophobicContact CE1-CB 4.33Å; F509-V550 HydrophobicContact CE1-CG2 3.68Å; F509-V550 HydrophobicContact CZ-CG2 4.28Å; L510-V550 HydrophobicContact CD2-CG1 3.9Å; R546-V550 WeakPolarHBondContact O-CG2 3.35Å; R546-V550 PolarHBondContact O-N 3.17Å; A547-V550 PolarHBondContact O-N 3.1Å; V550-H552 VanDerWaalsContact C-N 3.31Å; V550-H552 PolarHBondContact O-N 2.95Å; V550-I553 PolarHBondContact O-N 2.61Å; V550-I554 HydrophobicContact CG1-CG1 4.36Å; V550-I554 WeakPolarHBondContact O-CB 3.44Å; V550-I554 VanDerWaalsContact O-CG1 3.22Å; V550-I554 WeakPolarHBondContact O-CG1 3.38Å; V550-I554 PolarHBondContact O-N 3.34Å; V550-V620 HydrophobicContact CG2-CG1 4.41Å; V550-I623 HydrophobicContact CG1-CD1 4.09Å; V550-I623 HydrophobicContact CG1-CG2 4.36Å
551I97.2Very high93.6Very high27 Ų2740.6 Ų40.614%0.13822%0.215CC..Hα-helixtrans-57.3-46.2177.7-69.6155.4000111.2A547 A548 R549 N555 T574 L577A547-I551 WeakPolarHBondContact O-CD1 3.37Å; A547-I551 VanDerWaalsContact O-CG1 3.31Å; A547-I551 WeakPolarHBondContact O-CG1 3.46Å; A547-I551 PolarHBondContact O-N 3.24Å; A548-I551 PolarHBondContact O-N 2.93Å; R549-I551 PolarHBondContact O-N 3.14Å; I551-N555 WeakPolarHBondContact O-CB 3.45Å; I551-N555 PolarHBondContact O-N 3.49Å; I551-N555 PolarHBondContact O-ND2 3.28Å; I551-T574 HydrophobicContact CB-CG2 3.9Å; I551-T574 HydrophobicContact CG1-CG2 3.78Å; I551-T574 HydrophobicContact CG2-CG2 3.58Å; I551-L577 HydrophobicContact CD1-CD2 4.23Å; I551-L577 HydrophobicContact CD1-CG 4.24Å; I551-L577 HydrophobicContact CG1-CD2 4.14Å
552H95.1Very high92.6Very high82 Ų8247.2 Ų47.238%0.3824%0.243SC..Hα-helixtrans-63.2-51.2-178.3179.252.4000112.8A548 R549 V550 I554 N555 A556A548-H552 WeakPolarHBondContact O-CB 3.07Å; A548-H552 PolarHBondContact O-N 3.31Å; R549-H552 PolarHBondContact O-N 2.68Å; V550-H552 VanDerWaalsContact C-N 3.31Å; V550-H552 PolarHBondContact O-N 2.95Å; H552-I554 PolarHBondContact O-N 2.88Å; H552-N555 PolarHBondContact O-N 3.24Å; H552-A556 WeakPolarHBondContact O-CB 3.49Å; H552-A556 PolarHBondContact O-N 3.49Å
553I95.1Very high91.9Very high14 Ų1451 Ų517%0.07227%0.274CS..Hα-helixtrans-63.6-42.7-178.3-72.2163.9000110.5V506 F509 R549 V550 A556 E557V506-I553 HydrophobicContact CG2-CG2 4.02Å; F509-I553 HydrophobicContact CD1-CD1 3.85Å; F509-I553 HydrophobicContact CD1-CG2 4.36Å; F509-I553 HydrophobicContact CD2-CD1 3.87Å; F509-I553 HydrophobicContact CE1-CD1 3.53Å; F509-I553 HydrophobicContact CE2-CD1 3.56Å; F509-I553 HydrophobicContact CG-CD1 4.02Å; F509-I553 HydrophobicContact CZ-CD1 3.4Å; R549-I553 WeakPolarHBondContact O-CB 3.47Å; R549-I553 WeakPolarHBondContact O-CG1 3.49Å; R549-I553 PolarHBondContact O-N 3.36Å; V550-I553 PolarHBondContact O-N 2.61Å; I553-A556 PolarHBondContact O-N 2.89Å; I553-E557 VanDerWaalsContact O-CB 3.29Å; I553-E557 WeakPolarHBondContact O-CB 3.49Å; I553-E557 PolarHBondContact O-N 2.85Å
554I95.1Very high91Very high0 Ų052.3 Ų52.30%029%0.288CS..Hα-helixtrans-68-42179.4-64.1-53.5000111.6V506 L510 V550 H552 A556 E557 M558 V570 I623 V627V506-I554 HydrophobicContact CG1-CD1 3.32Å; L510-I554 HydrophobicContact CD1-CD1 3.88Å; L510-I554 HydrophobicContact CD2-CD1 4.07Å; L510-I554 HydrophobicContact CD2-CG1 4.22Å; L510-I554 HydrophobicContact CG-CD1 4.15Å; V550-I554 HydrophobicContact CG1-CG1 4.36Å; V550-I554 WeakPolarHBondContact O-CB 3.44Å; V550-I554 VanDerWaalsContact O-CG1 3.22Å; V550-I554 WeakPolarHBondContact O-CG1 3.38Å; V550-I554 PolarHBondContact O-N 3.34Å; H552-I554 PolarHBondContact O-N 2.88Å; I554-A556 PolarHBondContact O-N 3.2Å; I554-E557 PolarHBondContact O-N 3.32Å; I554-M558 HydrophobicContact CG2-CG 4.28Å; I554-M558 WeakPolarHBondContact O-CB 3.5Å; I554-M558 VanDerWaalsContact O-CG 3.24Å; I554-M558 WeakPolarHBondContact O-CG 3.48Å; I554-M558 PolarHBondContact O-N 2.92Å; I554-V570 HydrophobicContact CG2-CG1 3.33Å; I554-I623 HydrophobicContact CG1-CG2 3.9Å; I554-I623 HydrophobicContact CG2-CG2 4.3Å; I554-V627 HydrophobicContact CD1-CG2 4.1Å
555N94.7Very high90.2Very high57 Ų5751.4 Ų51.431%0.30529%0.292SS..Hα-helixtrans-61.4-45.4175.7-74-21.5000111.6I551 H552 M558 E559 L571I551-N555 WeakPolarHBondContact O-CB 3.45Å; I551-N555 PolarHBondContact O-N 3.49Å; I551-N555 PolarHBondContact O-ND2 3.28Å; H552-N555 PolarHBondContact O-N 3.24Å; N555-M558 PolarHBondContact O-N 3.49Å; N555-E559 PolarHBondContact O-N 2.93Å; N555-L571 WeakPolarHBondContact OD1-CD2 3.5Å
556A92.4Very high89.5Confident40 Ų4052.4 Ų52.433%0.33129%0.29SS..Hα-helixtrans-63-41.5176.900000111.9H552 I553 I554 M558 E559H552-A556 WeakPolarHBondContact O-CB 3.49Å; H552-A556 PolarHBondContact O-N 3.49Å; I553-A556 PolarHBondContact O-N 2.89Å; I554-A556 PolarHBondContact O-N 3.2Å; A556-M558 VanDerWaalsContact C-N 3.34Å; A556-M558 PolarHBondContact O-N 3.07Å; A556-E559 WeakPolarHBondContact O-CB 3.38Å; A556-E559 PolarHBondContact O-N 3.45Å
557E89.3Confident88.9Confident44 Ų4452.4 Ų52.421%0.20629%0.291CS..Hα-helixtrans-63.9-40175.7177.361.4-173.700111.2V506 I553 I554 E559 N560 Y561V506-E557 HydrophobicContact CG2-CB 4.12Å; V506-E557 HydrophobicContact CG2-CG 3.91Å; I553-E557 VanDerWaalsContact O-CB 3.29Å; I553-E557 WeakPolarHBondContact O-CB 3.49Å; I553-E557 PolarHBondContact O-N 2.85Å; I554-E557 PolarHBondContact O-N 3.32Å; E557-E559 PolarHBondContact O-N 3.46Å; E557-N560 VanDerWaalsContact O-CB 3.29Å; E557-N560 WeakPolarHBondContact O-CB 3.33Å; E557-N560 PolarHBondContact O-N 3.46Å; E557-N560 PolarHBondContact OE2-ND2 2.92Å; E557-Y561 HydrophobicContact CG-CE2 3.82Å; E557-Y561 WeakPolarHBondContact O-CD2 3.28Å; E557-Y561 VanDerWaalsContact O-CE2 3.26Å; E557-Y561 WeakPolarHBondContact O-CE2 3.17Å; E557-Y561 VanDerWaalsContact OE1-CE2 3.24Å; E557-Y561 WeakPolarHBondContact OE1-CE2 3.44Å; E557-Y561 PolarHBondContact OE1-OH 2.87Å
558M91.2Very high88.4Confident11 Ų1158.4 Ų58.45%0.05432%0.319CS..Hα-helixtrans-65.2-22.5177.5-69.4-53.493.800113.3I554 N555 A556 N560 Y561 Y566 T567 V570 L571I554-M558 HydrophobicContact CG2-CG 4.28Å; I554-M558 WeakPolarHBondContact O-CB 3.5Å; I554-M558 VanDerWaalsContact O-CG 3.24Å; I554-M558 WeakPolarHBondContact O-CG 3.48Å; I554-M558 PolarHBondContact O-N 2.92Å; N555-M558 PolarHBondContact O-N 3.49Å; A556-M558 VanDerWaalsContact C-N 3.34Å; A556-M558 PolarHBondContact O-N 3.07Å; M558-N560 PolarHBondContact O-N 3.45Å; M558-Y561 HydrophobicContact CE-CD2 3.84Å; M558-Y561 HydrophobicContact CE-CE2 3.76Å; M558-Y561 PolarHBondContact O-N 3.43Å; M558-Y561 HydrophobicContact SD-CD2 4.42Å; M558-Y566 HydrophobicContact CE-CE1 4.07Å; M558-Y566 HydrophobicContact SD-CE1 3.86Å; M558-T567 HydrophobicContact SD-CG2 4.07Å; M558-V570 HydrophobicContact CE-CG1 4.36Å; M558-V570 HydrophobicContact CG-CB 4.33Å; M558-V570 HydrophobicContact CG-CG1 3.88Å; M558-V570 HydrophobicContact SD-CB 3.84Å; M558-V570 HydrophobicContact SD-CG1 3.74Å; M558-V570 HydrophobicContact SD-CG2 4.13Å; M558-L571 HydrophobicContact CB-CD2 4.18Å; M558-L571 HydrophobicContact CB-CG 4.48Å; M558-L571 HydrophobicContact CG-CD2 4.13Å; M558-L571 HydrophobicContact CG-CG 4.32Å
559E88.7Confident87.8Confident163 Ų16358.5 Ų58.576%0.76231%0.309SS*.THydrogen-bonded Turntrans-67.1-20.7171.8-65.4177.5-175.900112.7N555 A556 E557 Y561N555-E559 PolarHBondContact O-N 2.93Å; A556-E559 WeakPolarHBondContact O-CB 3.38Å; A556-E559 PolarHBondContact O-N 3.45Å; E557-E559 PolarHBondContact O-N 3.46Å; E559-Y561 VanDerWaalsContact C-N 3.28Å
560N85Confident87.5Confident122 Ų12257.2 Ų57.265%0.65230%0.304SS*.THydrogen-bonded Turntrans-79.6-8.8174.8-63-43.8000113.2E557 M558E557-N560 VanDerWaalsContact O-CB 3.29Å; E557-N560 WeakPolarHBondContact O-CB 3.33Å; E557-N560 PolarHBondContact O-N 3.46Å; E557-N560 PolarHBondContact OE2-ND2 2.92Å; M558-N560 PolarHBondContact O-N 3.45Å
561Y81.3Confident87.3Confident72 Ų7260.5 Ų60.528%0.28232%0.321SS..SBendtrans-106.8152.5179.2-61.2-99.6000110.7E557 M558 E559 Y566 T567 I630E557-Y561 HydrophobicContact CG-CE2 3.82Å; E557-Y561 WeakPolarHBondContact O-CD2 3.28Å; E557-Y561 VanDerWaalsContact O-CE2 3.26Å; E557-Y561 WeakPolarHBondContact O-CE2 3.17Å; E557-Y561 VanDerWaalsContact OE1-CE2 3.24Å; E557-Y561 WeakPolarHBondContact OE1-CE2 3.44Å; E557-Y561 PolarHBondContact OE1-OH 2.87Å; M558-Y561 HydrophobicContact CE-CD2 3.84Å; M558-Y561 HydrophobicContact CE-CE2 3.76Å; M558-Y561 PolarHBondContact O-N 3.43Å; M558-Y561 HydrophobicContact SD-CD2 4.42Å; E559-Y561 VanDerWaalsContact C-N 3.28Å; Y561-Y566 HydrophobicContact CD1-CD1 4.43Å; Y561-Y566 HydrophobicContact CD1-CE1 4.04Å; Y561-Y566 HydrophobicContact CE1-CE1 4.19Å; Y561-Y566 HydrophobicContact CG-CE1 4.3Å; Y561-T567 HydrophobicContact CG-CG2 4.49Å; Y561-I630 HydrophobicContact CE1-CD1 3.94Å
562E73.2Confident87.1Confident151 Ų15165.9 Ų65.971%0.70635%0.346SS*.  trans-69.4137.4169-171.3172.2-17100110.1G564E562-G564 PolarHBondContact O-N 3.32Å
563A81.5Confident87.1Confident92 Ų9262.9 Ų62.976%0.7634%0.335SS*.SBendtrans-60.7123.8179.400000111.1T567A563-T567 WeakPolarHBondContact CA-OG1 3.48Å
564G77.7Confident87.2Confident27 Ų2762.3 Ų62.328%0.27833%0.333SS..SBendtrans-171.3-169.617700000112.4E562 Y566 T567 E568E562-G564 PolarHBondContact O-N 3.32Å; G564-Y566 PolarHBondContact O-N 3.36Å; G564-Y566 VanDerWaalsContact O-N 3.09Å; G564-T567 PolarHBondContact N-OG1 3.44Å; G564-T567 PolarHBondContact O-N 3Å; G564-T567 VanDerWaalsContact O-N 3.08Å; G564-T567 PolarHBondContact O-OG1 3.44Å; G564-E568 WeakPolarHBondContact O-CB 3.3Å; G564-E568 WeakPolarHBondContact O-CG 3.23Å; G564-E568 PolarHBondContact O-N 2.96Å
565V78.7Confident87.2Confident68 Ų6867.8 Ų67.841%0.41236%0.356SS..Hα-helixtrans-55.5-34.9-173.3-178.20000112.9K569 M720V565-K569 HydrophobicContact CG1-CD 4.38Å; V565-K569 WeakPolarHBondContact O-CB 3.12Å; V565-K569 VanDerWaalsContact O-CG 3.29Å; V565-K569 WeakPolarHBondContact O-CG 3.45Å; V565-K569 PolarHBondContact O-N 3.14Å; V565-M720 HydrophobicContact CG1-CE 3.79Å; V565-M720 HydrophobicContact CG1-SD 4.34Å
566Y81.3Confident87.3Confident41 Ų4169.1 Ų69.116%0.16136%0.363CS..Hα-helixtrans-64.7-56.4175.4167.9-109.6000111.7M558 Y561 G564 E568 K569 V570 V627 I630M558-Y566 HydrophobicContact CE-CE1 4.07Å; M558-Y566 HydrophobicContact SD-CE1 3.86Å; Y561-Y566 HydrophobicContact CD1-CD1 4.43Å; Y561-Y566 HydrophobicContact CD1-CE1 4.04Å; Y561-Y566 HydrophobicContact CE1-CE1 4.19Å; Y561-Y566 HydrophobicContact CG-CE1 4.3Å; G564-Y566 PolarHBondContact O-N 3.36Å; G564-Y566 VanDerWaalsContact O-N 3.09Å; Y566-E568 VanDerWaalsContact C-N 3.29Å; Y566-E568 PolarHBondContact O-N 3.33Å; Y566-K569 PolarHBondContact O-N 3.01Å; Y566-V570 HydrophobicContact CD2-CG2 4.13Å; Y566-V570 HydrophobicContact CE2-CG2 3.66Å; Y566-V570 WeakPolarHBondContact O-CG2 3.26Å; Y566-V570 PolarHBondContact O-N 3.31Å; Y566-V627 PolarHBondContact OH-O 3.05Å; Y566-I630 HydrophobicContact CD1-CD1 4.17Å; Y566-I630 HydrophobicContact CD1-CG2 4.38Å; Y566-I630 HydrophobicContact CD2-CB 4.4Å; Y566-I630 HydrophobicContact CD2-CD1 4.44Å; Y566-I630 HydrophobicContact CD2-CG1 4.28Å; Y566-I630 HydrophobicContact CD2-CG2 3.33Å; Y566-I630 HydrophobicContact CE1-CD1 3.53Å; Y566-I630 HydrophobicContact CE1-CG1 4.28Å; Y566-I630 HydrophobicContact CE2-CB 4.2Å; Y566-I630 HydrophobicContact CE2-CD1 3.83Å; Y566-I630 HydrophobicContact CE2-CG1 3.62Å; Y566-I630 HydrophobicContact CE2-CG2 3.59Å; Y566-I630 HydrophobicContact CG-CG2 3.76Å; Y566-I630 WeakPolarHBondContact OH-CD1 3.47Å
567T84.2Confident87.6Confident9 Ų967.2 Ų67.26%0.05535%0.347CS..Hα-helixtrans-62.7-38.7-179.959.50000110.9M558 Y561 A563 G564 K569 V570 L571M558-T567 HydrophobicContact SD-CG2 4.07Å; Y561-T567 HydrophobicContact CG-CG2 4.49Å; A563-T567 WeakPolarHBondContact CA-OG1 3.48Å; G564-T567 PolarHBondContact N-OG1 3.44Å; G564-T567 PolarHBondContact O-N 3Å; G564-T567 VanDerWaalsContact O-N 3.08Å; G564-T567 PolarHBondContact O-OG1 3.44Å; T567-K569 PolarHBondContact O-N 3.38Å; T567-V570 PolarHBondContact O-N 3.42Å; T567-L571 VanDerWaalsContact O-CB 3.26Å; T567-L571 WeakPolarHBondContact O-CB 3.41Å; T567-L571 WeakPolarHBondContact O-CG 3.33Å; T567-L571 PolarHBondContact O-N 3.4Å
568E86.1Confident88Confident126 Ų12667.2 Ų67.259%0.58935%0.352SS*.Hα-helixtrans-58.8-47.1175.6-74.3174.917700111.8G564 Y566 L571 E572G564-E568 WeakPolarHBondContact O-CB 3.3Å; G564-E568 WeakPolarHBondContact O-CG 3.23Å; G564-E568 PolarHBondContact O-N 2.96Å; Y566-E568 VanDerWaalsContact C-N 3.29Å; Y566-E568 PolarHBondContact O-N 3.33Å; E568-L571 PolarHBondContact O-N 3.09Å; E568-E572 VanDerWaalsContact O-CB 3.31Å; E568-E572 WeakPolarHBondContact O-CB 3.48Å; E568-E572 PolarHBondContact O-N 2.93Å
569K83.4Confident88.3Confident55 Ų5572.6 Ų72.624%0.23938%0.377CS..Hα-helixtrans-63.3-43.8177.7-80.4-177.3168.7-1630112.7V565 Y566 T567 E572 A573 M720 E724V565-K569 HydrophobicContact CG1-CD 4.38Å; V565-K569 WeakPolarHBondContact O-CB 3.12Å; V565-K569 VanDerWaalsContact O-CG 3.29Å; V565-K569 WeakPolarHBondContact O-CG 3.45Å; V565-K569 PolarHBondContact O-N 3.14Å; Y566-K569 PolarHBondContact O-N 3.01Å; T567-K569 PolarHBondContact O-N 3.38Å; K569-E572 PolarHBondContact O-N 3.3Å; K569-A573 PolarHBondContact O-N 3.41Å; K569-A573 VanDerWaalsContact O-N 3.13Å; K569-M720 HydrophobicContact CD-SD 4.01Å; K569-M720 VanDerWaalsContact NZ-CE 3.29Å; K569-M720 PolarHBondContact NZ-SD 3.03Å; K569-E724 IonicContact NZ-OE1 2.69Å; K569-E724 PolarHBondContact NZ-OE1 3.26Å
570V88.7Confident88.7Confident1 Ų168.9 Ų68.91%0.00637%0.366CS..Hα-helixtrans-63.8-46.4177.9175.20000110.2I554 M558 Y566 T567 E572 A573 T574 A626 V627I554-V570 HydrophobicContact CG2-CG1 3.33Å; M558-V570 HydrophobicContact CE-CG1 4.36Å; M558-V570 HydrophobicContact CG-CB 4.33Å; M558-V570 HydrophobicContact CG-CG1 3.88Å; M558-V570 HydrophobicContact SD-CB 3.84Å; M558-V570 HydrophobicContact SD-CG1 3.74Å; M558-V570 HydrophobicContact SD-CG2 4.13Å; Y566-V570 HydrophobicContact CD2-CG2 4.13Å; Y566-V570 HydrophobicContact CE2-CG2 3.66Å; Y566-V570 WeakPolarHBondContact O-CG2 3.26Å; Y566-V570 PolarHBondContact O-N 3.31Å; T567-V570 PolarHBondContact O-N 3.42Å; V570-E572 VanDerWaalsContact C-N 3.33Å; V570-E572 PolarHBondContact O-N 2.74Å; V570-A573 PolarHBondContact O-N 3.35Å; V570-T574 PolarHBondContact O-N 3.12Å; V570-T574 PolarHBondContact O-OG1 3.45Å; V570-T574 VanDerWaalsContact O-OG1 3.07Å; V570-A626 HydrophobicContact CG2-CB 4Å; V570-V627 HydrophobicContact CG1-CG2 3.89Å; V570-V627 HydrophobicContact CG2-CG2 4.19Å
571L93.9Very high89.3Confident68 Ų6863.6 Ų63.636%0.35634%0.338SS..Hα-helixtrans-66.9-32179-67.7173.7000112.6N555 M558 T567 E568 T574 K575N555-L571 WeakPolarHBondContact OD1-CD2 3.5Å; M558-L571 HydrophobicContact CB-CD2 4.18Å; M558-L571 HydrophobicContact CB-CG 4.48Å; M558-L571 HydrophobicContact CG-CD2 4.13Å; M558-L571 HydrophobicContact CG-CG 4.32Å; T567-L571 VanDerWaalsContact O-CB 3.26Å; T567-L571 WeakPolarHBondContact O-CB 3.41Å; T567-L571 WeakPolarHBondContact O-CG 3.33Å; T567-L571 PolarHBondContact O-N 3.4Å; E568-L571 PolarHBondContact O-N 3.09Å; L571-T574 PolarHBondContact O-N 2.94Å; L571-K575 VanDerWaalsContact O-CB 3.26Å; L571-K575 WeakPolarHBondContact O-CB 3.28Å; L571-K575 PolarHBondContact O-N 3.28Å
572E93.2Very high90.1Very high140 Ų14061.3 Ų61.365%0.65433%0.33SS*.Hα-helixtrans-64.1-44.7172.6-174.6177.3-167.500111.5E568 K569 V570 K575 L576E568-E572 VanDerWaalsContact O-CB 3.31Å; E568-E572 WeakPolarHBondContact O-CB 3.48Å; E568-E572 PolarHBondContact O-N 2.93Å; K569-E572 PolarHBondContact O-N 3.3Å; V570-E572 VanDerWaalsContact C-N 3.33Å; V570-E572 PolarHBondContact O-N 2.74Å; E572-K575 PolarHBondContact O-N 3.27Å; E572-L576 PolarHBondContact O-N 3.4Å
573A93.8Very high91.3Very high19 Ų1957.1 Ų57.116%0.15732%0.316CS..Hα-helixtrans-62.4-43.1174.500000111.7K569 V570 K575 L576 L577 I623K569-A573 PolarHBondContact O-N 3.41Å; K569-A573 VanDerWaalsContact O-N 3.13Å; V570-A573 PolarHBondContact O-N 3.35Å; A573-K575 VanDerWaalsContact C-N 3.34Å; A573-K575 PolarHBondContact O-N 2.92Å; A573-L576 PolarHBondContact O-N 2.94Å; A573-L577 PolarHBondContact O-N 3.25Å; A573-L577 VanDerWaalsContact O-N 3.1Å; A573-I623 HydrophobicContact CB-CG1 3.79Å
574T97.4Very high92Very high3 Ų357.7 Ų57.72%0.01830%0.299CS..Hα-helixtrans-60.5-42.4174.9-59.70000112.1I551 V570 L571 L577 S578I551-T574 HydrophobicContact CB-CG2 3.9Å; I551-T574 HydrophobicContact CG1-CG2 3.78Å; I551-T574 HydrophobicContact CG2-CG2 3.58Å; V570-T574 PolarHBondContact O-N 3.12Å; V570-T574 PolarHBondContact O-OG1 3.45Å; V570-T574 VanDerWaalsContact O-OG1 3.07Å; L571-T574 PolarHBondContact O-N 2.94Å; T574-L577 PolarHBondContact O-N 2.86Å; T574-S578 WeakPolarHBondContact O-CB 3.36Å; T574-S578 PolarHBondContact O-N 3.47Å; T574-S578 PolarHBondContact O-OG 3.49Å
575K96.8Very high93Very high114 Ų11456.4 Ų56.450%0.49629%0.285SS..Hα-helixtrans-65.9-40.5177.7-172.7-178.7178.7-176.80112.2L571 E572 A573 L577 S578 E579L571-K575 VanDerWaalsContact O-CB 3.26Å; L571-K575 WeakPolarHBondContact O-CB 3.28Å; L571-K575 PolarHBondContact O-N 3.28Å; E572-K575 PolarHBondContact O-N 3.27Å; A573-K575 VanDerWaalsContact C-N 3.34Å; A573-K575 PolarHBondContact O-N 2.92Å; K575-L577 VanDerWaalsContact C-N 3.34Å; K575-S578 WeakPolarHBondContact CA-OG 3.5Å; K575-S578 PolarHBondContact O-N 3.01Å; K575-S578 PolarHBondContact O-OG 3.27Å; K575-E579 WeakPolarHBondContact CE-OE1 3.32Å; K575-E579 WeakPolarHBondContact CE-OE2 3.33Å; K575-E579 VanDerWaalsContact CG-CD 3.48Å; K575-E579 HydrophobicContact CG-CG 4.07Å; K575-E579 IonicContact NZ-OE2 2.87Å; K575-E579 WeakPolarHBondContact O-CB 3.41Å; K575-E579 PolarHBondContact O-N 3.25Å
576L96.4Very high93.8Very high85 Ų8554.3 Ų54.345%0.44528%0.275SS..Hα-helixtrans-60.5-45.6175.6179.966000111.1E572 A573 T580 V581E572-L576 PolarHBondContact O-N 3.4Å; A573-L576 PolarHBondContact O-N 2.94Å; L576-T580 HydrophobicContact CD1-CG2 4.32Å; L576-T580 WeakPolarHBondContact O-CB 3.47Å; L576-T580 PolarHBondContact O-N 2.78Å; L576-T580 VanDerWaalsContact O-N 3.15Å; L576-V581 HydrophobicContact CG-CG2 4.49Å; L576-V581 PolarHBondContact O-N 2.63Å; L576-V581 VanDerWaalsContact O-N 3.09Å
577L97.9Very high94.6Very high0 Ų058 Ų580%029%0.293CS..Iπ-helixtrans-60.6-49.4176.2179.761.7000111.1A547 I551 A573 T574 K575 V581 M582 V616 V620 I623A547-L577 HydrophobicContact CB-CD2 4.41Å; I551-L577 HydrophobicContact CD1-CD2 4.23Å; I551-L577 HydrophobicContact CD1-CG 4.24Å; I551-L577 HydrophobicContact CG1-CD2 4.14Å; A573-L577 PolarHBondContact O-N 3.25Å; A573-L577 VanDerWaalsContact O-N 3.1Å; T574-L577 PolarHBondContact O-N 2.86Å; K575-L577 VanDerWaalsContact C-N 3.34Å; L577-V581 HydrophobicContact CD1-CB 4.1Å; L577-V581 HydrophobicContact CD1-CG1 3.97Å; L577-V581 PolarHBondContact O-N 2.78Å; L577-M582 HydrophobicContact CD1-CG 4.11Å; L577-M582 HydrophobicContact CD1-SD 4.2Å; L577-M582 HydrophobicContact CG-CG 4.29Å; L577-M582 WeakPolarHBondContact O-CB 3.25Å; L577-M582 VanDerWaalsContact O-CG 3.28Å; L577-M582 WeakPolarHBondContact O-CG 3.45Å; L577-M582 PolarHBondContact O-N 2.85Å; L577-V616 HydrophobicContact CD1-CG1 4.46Å; L577-V620 HydrophobicContact CD2-CG2 3.79Å; L577-I623 HydrophobicContact CB-CD1 4.07Å; L577-I623 HydrophobicContact CD2-CD1 3.51Å; L577-I623 HydrophobicContact CG-CD1 4.45Å
578S97.7Very high95.1Very high44 Ų4458.5 Ų58.531%0.30830%0.296SS..Iπ-helixtrans-73.5-41.9-17367.30000114.4T574 K575 P583T574-S578 WeakPolarHBondContact O-CB 3.36Å; T574-S578 PolarHBondContact O-N 3.47Å; T574-S578 PolarHBondContact O-OG 3.49Å; K575-S578 WeakPolarHBondContact CA-OG 3.5Å; K575-S578 PolarHBondContact O-N 3.01Å; K575-S578 PolarHBondContact O-OG 3.27Å; S578-P583 WeakPolarHBondContact O-CD 3.44Å
579E97.5Very high95.6Very high124 Ų12452.6 Ų52.658%0.57927%0.268SS*.Iπ-helixtrans-97.4-19.4-170.6-64.6-177.2-172.600113.5K575K575-E579 WeakPolarHBondContact CE-OE1 3.32Å; K575-E579 WeakPolarHBondContact CE-OE2 3.33Å; K575-E579 VanDerWaalsContact CG-CD 3.48Å; K575-E579 HydrophobicContact CG-CG 4.07Å; K575-E579 IonicContact NZ-OE2 2.87Å; K575-E579 WeakPolarHBondContact O-CB 3.41Å; K575-E579 PolarHBondContact O-N 3.25Å
580T97Very high96.2Very high85 Ų8555.8 Ų55.852%0.52128%0.284SS..Iπ-helixtrans-118.8-53.4-176.5-53.70000112.4L576 R584L576-T580 HydrophobicContact CD1-CG2 4.32Å; L576-T580 WeakPolarHBondContact O-CB 3.47Å; L576-T580 PolarHBondContact O-N 2.78Å; L576-T580 VanDerWaalsContact O-N 3.15Å; T580-R584 PolarHBondContact O-N 3.23Å
581V97.6Very high96.5Very high12 Ų1258.7 Ų58.77%0.07330%0.301CS..Iπ-helixtrans-73.4-51.2-172.4174.70000111.7L576 L577 R584 F585 L615 V616L576-V581 HydrophobicContact CG-CG2 4.49Å; L576-V581 PolarHBondContact O-N 2.63Å; L576-V581 VanDerWaalsContact O-N 3.09Å; L577-V581 HydrophobicContact CD1-CB 4.1Å; L577-V581 HydrophobicContact CD1-CG1 3.97Å; L577-V581 PolarHBondContact O-N 2.78Å; V581-R584 PolarHBondContact O-N 3.38Å; V581-F585 PolarHBondContact O-N 2.99Å; V581-L615 VanDerWaalsContact CG1-C 3.44Å; V581-L615 HydrophobicContact CG1-CB 3.9Å; V581-L615 WeakPolarHBondContact CG1-O 3.22Å; V581-L615 HydrophobicContact CG2-CB 4.48Å; V581-V616 HydrophobicContact CG1-CB 4.31Å; V581-V616 HydrophobicContact CG1-CG2 3.89Å
582M98Very high96.5Very high23 Ų2355.5 Ų55.511%0.11328%0.284CS..Hα-helixtrans-64.7-40.6-176.7-71.4-52.1-51.900114.1R544 A547 L577 F585 A586 V616R544-M582 HydrophobicContact CB-CE 4.14Å; R544-M582 HydrophobicContact CG-CE 3.65Å; A547-M582 HydrophobicContact CB-CE 4.13Å; A547-M582 HydrophobicContact CB-CG 4.07Å; A547-M582 HydrophobicContact CB-SD 3.5Å; A547-M582 WeakPolarHBondContact CB-SD 3.44Å; L577-M582 HydrophobicContact CD1-CG 4.11Å; L577-M582 HydrophobicContact CD1-SD 4.2Å; L577-M582 HydrophobicContact CG-CG 4.29Å; L577-M582 WeakPolarHBondContact O-CB 3.25Å; L577-M582 VanDerWaalsContact O-CG 3.28Å; L577-M582 WeakPolarHBondContact O-CG 3.45Å; L577-M582 PolarHBondContact O-N 2.85Å; M582-F585 HydrophobicContact CE-CD1 3.9Å; M582-F585 PolarHBondContact O-N 3.01Å; M582-A586 WeakPolarHBondContact O-CB 3.34Å; M582-A586 PolarHBondContact O-N 2.94Å; M582-V616 HydrophobicContact SD-CG1 3.78Å; M582-V616 HydrophobicContact SD-CG2 4Å
583P98Very high96.5Very high64 Ų6450.4 Ų50.442%0.41626%0.262SS..Hα-helixtrans-61.2-42.4173.8-27.537.9000112.8S578 F585 A586 E587S578-P583 WeakPolarHBondContact O-CD 3.44Å; P583-F585 PolarHBondContact O-N 2.87Å; P583-A586 PolarHBondContact O-N 3.27Å; P583-E587 PolarHBondContact O-N 3.42Å
584R97.1Very high96.5Very high104 Ų10456.3 Ų56.339%0.39229%0.286SS..Hα-helixtrans-63.2-42.2176.2-178.1178.7173.8-171.7-3.7111.8T580 V581 Q588 A612 L615T580-R584 PolarHBondContact O-N 3.23Å; V581-R584 PolarHBondContact O-N 3.38Å; R584-Q588 VanDerWaalsContact O-CG 3.26Å; R584-Q588 WeakPolarHBondContact O-CG 3.36Å; R584-Q588 PolarHBondContact O-N 2.8Å; R584-Q588 VanDerWaalsContact O-N 3.1Å; R584-A612 HydrophobicContact CG-CB 4.24Å; R584-L615 VanDerWaalsContact NH1-CD1 3.31Å
585F97.9Very high96.3Very high0 Ų056.5 Ų56.50%029%0.288CS..Hα-helixtrans-62.3-44.8175174.6-106.5000111.6A540 I543 R544 V581 M582 P583 E587 Q588 V589 F609 S613 V616A540-F585 HydrophobicContact CB-CE1 4.11Å; A540-F585 HydrophobicContact CB-CZ 4Å; I543-F585 HydrophobicContact CB-CE1 3.99Å; I543-F585 HydrophobicContact CB-CZ 4.22Å; I543-F585 HydrophobicContact CD1-CE1 4.33Å; I543-F585 HydrophobicContact CD1-CE2 4.34Å; I543-F585 HydrophobicContact CD1-CZ 3.67Å; I543-F585 HydrophobicContact CG2-CD1 4.25Å; I543-F585 HydrophobicContact CG2-CE1 3.72Å; I543-F585 HydrophobicContact CG2-CZ 4.06Å; R544-F585 HydrophobicContact CG-CD1 4.5Å; R544-F585 HydrophobicContact CG-CE1 4.42Å; V581-F585 PolarHBondContact O-N 2.99Å; M582-F585 HydrophobicContact CE-CD1 3.9Å; M582-F585 PolarHBondContact O-N 3.01Å; P583-F585 PolarHBondContact O-N 2.87Å; F585-E587 PolarHBondContact O-N 2.88Å; F585-Q588 PolarHBondContact O-N 2.85Å; F585-V589 HydrophobicContact CD1-CG2 4.28Å; F585-V589 HydrophobicContact CD2-CG2 4.22Å; F585-V589 HydrophobicContact CE1-CG2 3.83Å; F585-V589 HydrophobicContact CE2-CG2 3.76Å; F585-V589 HydrophobicContact CG-CG2 4.46Å; F585-V589 HydrophobicContact CZ-CG2 3.54Å; F585-V589 VanDerWaalsContact O-CG2 3.26Å; F585-V589 WeakPolarHBondContact O-CG2 3.49Å; F585-V589 PolarHBondContact O-N 2.98Å; F585-F609 HydrophobicContact CE2-CZ 4.47Å; F585-S613 WeakPolarHBondContact CE2-OG 3.44Å; F585-V616 HydrophobicContact CB-CG2 3.74Å; F585-V616 HydrophobicContact CD1-CG2 4.27Å; F585-V616 HydrophobicContact CD2-CG2 3.99Å; F585-V616 HydrophobicContact CG-CG2 3.73Å
586A96.9Very high96.1Very high24 Ų2452.8 Ų52.820%0.19827%0.273CS..Hα-helixtrans-60.6-46178.200000112.3M582 P583 Q588 V589 E590M582-A586 WeakPolarHBondContact O-CB 3.34Å; M582-A586 PolarHBondContact O-N 2.94Å; P583-A586 PolarHBondContact O-N 3.27Å; A586-Q588 VanDerWaalsContact C-N 3.35Å; A586-Q588 PolarHBondContact O-N 2.8Å; A586-V589 PolarHBondContact O-N 2.69Å; A586-E590 WeakPolarHBondContact O-CG 3.4Å; A586-E590 PolarHBondContact O-N 2.68Å
587E96.8Very high95.8Very high117 Ų11752.2 Ų52.255%0.54728%0.276SS..Hα-helixtrans-58.1-46.1175.7-179.1-179.6-164.700111.6P583 F585 V589 E590 V591P583-E587 PolarHBondContact O-N 3.42Å; F585-E587 PolarHBondContact O-N 2.88Å; E587-V589 VanDerWaalsContact C-N 3.33Å; E587-V589 PolarHBondContact O-N 3.38Å; E587-E590 PolarHBondContact O-N 3.34Å; E587-V591 WeakPolarHBondContact O-CG2 3.41Å; E587-V591 PolarHBondContact O-N 2.72Å
588Q95.6Very high95.4Very high21 Ų2153.4 Ų53.410%0.09829%0.286CS..Hα-helixtrans-66.8-34.1179.6-69.1-67.9-41.200112.7R584 F585 A586 A592 F609 A612R584-Q588 VanDerWaalsContact O-CG 3.26Å; R584-Q588 WeakPolarHBondContact O-CG 3.36Å; R584-Q588 PolarHBondContact O-N 2.8Å; R584-Q588 VanDerWaalsContact O-N 3.1Å; F585-Q588 PolarHBondContact O-N 2.85Å; A586-Q588 VanDerWaalsContact C-N 3.35Å; A586-Q588 PolarHBondContact O-N 2.8Å; Q588-A592 VanDerWaalsContact O-CB 3.31Å; Q588-A592 WeakPolarHBondContact O-CB 3.13Å; Q588-A592 PolarHBondContact O-N 2.85Å; Q588-F609 HydrophobicContact CB-CD2 4.11Å; Q588-A612 HydrophobicContact CB-CB 4.19Å; Q588-A612 HydrophobicContact CG-CB 3.86Å
589V96.1Very high94.6Very high1 Ų159.9 Ų59.91%0.00632%0.317CS..Hα-helixtrans-65-46.2172.5169.80000110.9A540 F585 A586 E587 A592 I593 F609A540-V589 HydrophobicContact CB-CB 4.32Å; A540-V589 HydrophobicContact CB-CG1 3.64Å; A540-V589 HydrophobicContact CB-CG2 3.7Å; F585-V589 HydrophobicContact CD1-CG2 4.28Å; F585-V589 HydrophobicContact CD2-CG2 4.22Å; F585-V589 HydrophobicContact CE1-CG2 3.83Å; F585-V589 HydrophobicContact CE2-CG2 3.76Å; F585-V589 HydrophobicContact CG-CG2 4.46Å; F585-V589 HydrophobicContact CZ-CG2 3.54Å; F585-V589 VanDerWaalsContact O-CG2 3.26Å; F585-V589 WeakPolarHBondContact O-CG2 3.49Å; F585-V589 PolarHBondContact O-N 2.98Å; A586-V589 PolarHBondContact O-N 2.69Å; E587-V589 VanDerWaalsContact C-N 3.33Å; E587-V589 PolarHBondContact O-N 3.38Å; V589-A592 PolarHBondContact O-N 3.08Å; V589-I593 HydrophobicContact CG1-CD1 3.63Å; V589-I593 HydrophobicContact CG1-CG1 4.36Å; V589-I593 WeakPolarHBondContact O-CB 3.49Å; V589-I593 VanDerWaalsContact O-CG1 3.29Å; V589-I593 WeakPolarHBondContact O-CG1 3.1Å; V589-I593 PolarHBondContact O-N 3.14Å; V589-F609 HydrophobicContact CB-CE2 4.48Å; V589-F609 HydrophobicContact CG2-CE2 3.74Å; V589-F609 HydrophobicContact CG2-CZ 4.42Å
590E95.3Very high93.9Very high122 Ų12259.4 Ų59.457%0.5732%0.323SS*.Hα-helixtrans-60.4-47.6177.7-72.9174.9-173.400111.2A586 E587 A592 I593 E594A586-E590 WeakPolarHBondContact O-CG 3.4Å; A586-E590 PolarHBondContact O-N 2.68Å; E587-E590 PolarHBondContact O-N 3.34Å; E590-A592 VanDerWaalsContact C-N 3.35Å; E590-A592 PolarHBondContact O-N 3.37Å; E590-I593 PolarHBondContact O-N 2.94Å; E590-E594 WeakPolarHBondContact O-CB 3.45Å; E590-E594 WeakPolarHBondContact O-CG 3.35Å; E590-E594 PolarHBondContact O-N 3.19Å
591V94.8Very high93.1Very high63 Ų6359.7 Ų59.738%0.38233%0.326SS..Hα-helixtrans-58.4-45.2176.4170.40000111.7E587 A595 F604E587-V591 WeakPolarHBondContact O-CG2 3.41Å; E587-V591 PolarHBondContact O-N 2.72Å; V591-A595 VanDerWaalsContact O-CB 3.27Å; V591-A595 WeakPolarHBondContact O-CB 3.26Å; V591-A595 PolarHBondContact O-N 3.04Å; V591-F604 HydrophobicContact CG1-CB 4.48Å
592A94.1Very high92.5Very high0 Ų065 Ų650%035%0.35CS..Hα-helixtrans-64.2-44.9178.500000112.2L528 L536 Q588 V589 E590 A595 L596 F604 F609L528-A592 HydrophobicContact CD1-CB 3.64Å; L536-A592 HydrophobicContact CD2-CB 4.13Å; Q588-A592 VanDerWaalsContact O-CB 3.31Å; Q588-A592 WeakPolarHBondContact O-CB 3.13Å; Q588-A592 PolarHBondContact O-N 2.85Å; V589-A592 PolarHBondContact O-N 3.08Å; E590-A592 VanDerWaalsContact C-N 3.35Å; E590-A592 PolarHBondContact O-N 3.37Å; A592-A595 PolarHBondContact O-N 3.27Å; A592-L596 WeakPolarHBondContact O-CB 3.43Å; A592-L596 VanDerWaalsContact O-CG 3.31Å; A592-L596 WeakPolarHBondContact O-CG 3.37Å; A592-L596 PolarHBondContact O-N 3.13Å; A592-F604 HydrophobicContact CB-CD2 4.42Å; A592-F604 HydrophobicContact CB-CE2 4.19Å; A592-F609 HydrophobicContact CB-CD2 4.17Å; A592-F609 HydrophobicContact CB-CE2 4.44Å
593I94.4Very high91.8Very high34 Ų3470.1 Ų70.117%0.17439%0.385CS..Hα-helixtrans-62.6-45.6177.9-72.3170.6000110.7V533 L536 D537 V589 E590 L596 S597V533-I593 HydrophobicContact CG1-CB 4.45Å; V533-I593 HydrophobicContact CG1-CG1 4.27Å; V533-I593 HydrophobicContact CG1-CG2 3.84Å; L536-I593 HydrophobicContact CD2-CG1 4Å; L536-I593 HydrophobicContact CG-CG1 4.36Å; D537-I593 HydrophobicContact CB-CD1 3.73Å; V589-I593 HydrophobicContact CG1-CD1 3.63Å; V589-I593 HydrophobicContact CG1-CG1 4.36Å; V589-I593 WeakPolarHBondContact O-CB 3.49Å; V589-I593 VanDerWaalsContact O-CG1 3.29Å; V589-I593 WeakPolarHBondContact O-CG1 3.1Å; V589-I593 PolarHBondContact O-N 3.14Å; E590-I593 PolarHBondContact O-N 2.94Å; I593-L596 PolarHBondContact O-N 3.17Å; I593-S597 WeakPolarHBondContact O-CB 3.5Å; I593-S597 PolarHBondContact O-N 3Å; I593-S597 PolarHBondContact O-OG 3.39Å
594E93.7Very high91.2Very high142 Ų14269.1 Ų69.166%0.66437%0.374SS*.Hα-helixtrans-63-42.4178-74.6-175.1177.200112E590 S597 A598E590-E594 WeakPolarHBondContact O-CB 3.45Å; E590-E594 WeakPolarHBondContact O-CG 3.35Å; E590-E594 PolarHBondContact O-N 3.19Å; E594-S597 PolarHBondContact O-N 3.41Å; E594-A598 PolarHBondContact O-N 2.99Å
595A92.6Very high90.8Very high8 Ų869.8 Ų69.87%0.06638%0.382CS..Hα-helixtrans-64.2-41.4178.800000112.2V591 A592 P601 Q602 F604V591-A595 VanDerWaalsContact O-CB 3.27Å; V591-A595 WeakPolarHBondContact O-CB 3.26Å; V591-A595 PolarHBondContact O-N 3.04Å; A592-A595 PolarHBondContact O-N 3.27Å; A595-P601 CarbonylContact O-C 3.13Å; A595-P601 VanDerWaalsContact O-CA 3.29Å; A595-P601 WeakPolarHBondContact O-CA 3.38Å; A595-Q602 HydrophobicContact CB-CB 4.29Å; A595-Q602 PolarHBondContact O-N 2.87Å; A595-F604 HydrophobicContact CB-CB 4Å; A595-F604 HydrophobicContact CB-CD1 3.75Å; A595-F604 HydrophobicContact CB-CG 4.11Å
596L92Very high90.3Very high36 Ų3674.1 Ų74.119%0.18840%0.402CS..Hα-helixtrans-77-32.7178.8-69.4173.7000113.2L528 V533 L536 A592 I593 A598 F604L528-L596 HydrophobicContact CD1-CD1 4.26Å; V533-L596 HydrophobicContact CG2-CB 3.6Å; V533-L596 HydrophobicContact CG2-CD1 4.31Å; L536-L596 HydrophobicContact CD2-CD1 4.24Å; A592-L596 WeakPolarHBondContact O-CB 3.43Å; A592-L596 VanDerWaalsContact O-CG 3.31Å; A592-L596 WeakPolarHBondContact O-CG 3.37Å; A592-L596 PolarHBondContact O-N 3.13Å; I593-L596 PolarHBondContact O-N 3.17Å; L596-A598 VanDerWaalsContact C-N 3.33Å; L596-F604 HydrophobicContact CD2-CE1 4.27Å; L596-F604 HydrophobicContact CG-CE1 4.36Å
597S91.1Very high89.9Confident72 Ų7278.1 Ų78.150%0.50342%0.42SS..Hα-helixtrans-81.6-10.4-178.7-56.90000113.8I593 E594I593-S597 WeakPolarHBondContact O-CB 3.5Å; I593-S597 PolarHBondContact O-N 3Å; I593-S597 PolarHBondContact O-OG 3.39Å; E594-S597 PolarHBondContact O-N 3.41Å
598A88.5Confident89.6Confident26 Ų2676.9 Ų76.922%0.21541%0.414CS..SBendtrans-62.8146.4177.300000111.5E594 L596 V600 Q602E594-A598 PolarHBondContact O-N 2.99Å; L596-A598 VanDerWaalsContact C-N 3.33Å; A598-V600 VanDerWaalsContact CB-O 3.31Å; A598-V600 WeakPolarHBondContact CB-O 3.31Å; A598-V600 CarbonylContact O-C 3.52Å; A598-V600 PolarHBondContact O-N 3.16Å; A598-Q602 HydrophobicContact CB-CG 4.22Å
599N81.6Confident89.4Confident179 Ų17975.9 Ų75.996%0.95741%0.41SS*.SBendtrans-50.6-29.8177.6-81.8-22.1000113.6
600V83.2Confident89.1Confident115 Ų11577.1 Ų77.170%0.69742%0.416SS*.SBendtrans-123.8120.5163.1179.90000105.8A598 Q602A598-V600 VanDerWaalsContact CB-O 3.31Å; A598-V600 WeakPolarHBondContact CB-O 3.31Å; A598-V600 CarbonylContact O-C 3.52Å; A598-V600 PolarHBondContact O-N 3.16Å; V600-Q602 PolarHBondContact O-N 3.05Å
601P80Confident88.8Confident90 Ų9074.9 Ų74.958%0.58441%0.408SS*.PPolyproline II helixtrans-51.6126.2177.1-29.535.7000111.1A595A595-P601 CarbonylContact O-C 3.13Å; A595-P601 VanDerWaalsContact O-CA 3.29Å; A595-P601 WeakPolarHBondContact O-CA 3.38Å
602Q85Confident88.7Confident123 Ų12372 Ų7258%0.57539%0.39SS*.PPolyproline II helixtrans-89.3147.2-179.6-65.9-173.651.200110.1A595 A598 V600 F604A595-Q602 HydrophobicContact CB-CB 4.29Å; A595-Q602 PolarHBondContact O-N 2.87Å; A598-Q602 HydrophobicContact CB-CG 4.22Å; V600-Q602 PolarHBondContact O-N 3.05Å; Q602-F604 PolarHBondContact O-N 3.04Å
603P82.8Confident88.6Confident131 Ų13172 Ų7285%0.85139%0.39SS*.PPolyproline II helixtrans-65.9136.217229-33.3000109.6
604F86.4Confident88.3Confident43 Ų4377 Ų7719%0.18941%0.407CS..  trans-137.8162172.171.2-82.2000109.4L528 V591 A592 A595 L596 Q602 E606L528-F604 HydrophobicContact CD1-CE2 3.68Å; L528-F604 HydrophobicContact CD1-CZ 3.44Å; L528-F604 VanDerWaalsContact CD1-CZ 3.44Å; L528-F604 HydrophobicContact CD2-CE2 3.93Å; L528-F604 HydrophobicContact CD2-CZ 4Å; L528-F604 HydrophobicContact CG-CE2 4.08Å; L528-F604 HydrophobicContact CG-CZ 3.72Å; V591-F604 HydrophobicContact CG1-CB 4.48Å; A592-F604 HydrophobicContact CB-CD2 4.42Å; A592-F604 HydrophobicContact CB-CE2 4.19Å; A595-F604 HydrophobicContact CB-CB 4Å; A595-F604 HydrophobicContact CB-CD1 3.75Å; A595-F604 HydrophobicContact CB-CG 4.11Å; L596-F604 HydrophobicContact CD2-CE1 4.27Å; L596-F604 HydrophobicContact CG-CE1 4.36Å; Q602-F604 PolarHBondContact O-N 3.04Å; F604-E606 HydrophobicContact CD2-CG 4.5Å; F604-E606 HydrophobicContact CE1-CG 4.48Å; F604-E606 HydrophobicContact CE2-CB 4.4Å; F604-E606 HydrophobicContact CE2-CG 3.72Å; F604-E606 HydrophobicContact CZ-CG 3.69Å; F604-E606 PolarHBondContact O-N 3.31Å; F604-E606 VanDerWaalsContact O-N 3.12Å
605E88Confident88.3Confident119 Ų11972.2 Ų72.256%0.55639%0.386SS*.  trans-80.988.4-176.8-72.9-76.8176.300111.1N607 E608 F609E605-N607 PolarHBondContact O-N 3.19Å; E605-N607 VanDerWaalsContact O-N 3.16Å; E605-E608 HydrophobicContact CB-CB 4.02Å; E605-E608 HydrophobicContact CB-CG 3.81Å; E605-E608 PolarHBondContact O-N 3Å; E605-F609 PolarHBondContact O-N 3.43Å
606E87.2Confident88.5Confident90 Ų9071.8 Ų71.842%0.42138%0.383SS..Hα-helixtrans-54.4-34.8177.7-70.4179.4-16500113.1L528 F604 E608 F609 I610L528-E606 HydrophobicContact CD2-CG 4.26Å; F604-E606 HydrophobicContact CD2-CG 4.5Å; F604-E606 HydrophobicContact CE1-CG 4.48Å; F604-E606 HydrophobicContact CE2-CB 4.4Å; F604-E606 HydrophobicContact CE2-CG 3.72Å; F604-E606 HydrophobicContact CZ-CG 3.69Å; F604-E606 PolarHBondContact O-N 3.31Å; F604-E606 VanDerWaalsContact O-N 3.12Å; E606-E608 VanDerWaalsContact C-N 3.34Å; E606-E608 PolarHBondContact O-N 3.47Å; E606-F609 PolarHBondContact O-N 3.41Å; E606-I610 VanDerWaalsContact O-CG1 3.28Å; E606-I610 WeakPolarHBondContact O-CG1 3.42Å; E606-I610 PolarHBondContact O-N 3.03Å
607N88.6Confident88.5Confident109 Ų10972 Ų7258%0.58338%0.381SS*.Hα-helixtrans-65.7-36.7178.9-68.9-45.4000112.2E605 I610 D611E605-N607 PolarHBondContact O-N 3.19Å; E605-N607 VanDerWaalsContact O-N 3.16Å; N607-I610 PolarHBondContact O-N 3.17Å; N607-D611 WeakPolarHBondContact O-CB 3.43Å; N607-D611 VanDerWaalsContact O-CG 3.31Å; N607-D611 PolarHBondContact O-N 2.92Å
608E90.5Very high88.4Confident91 Ų9169.9 Ų69.943%0.42536%0.364SS..Hα-helixtrans-68.1-38.5177.6-69.9-171173.100111.4E605 E606 D611 A612E605-E608 HydrophobicContact CB-CB 4.02Å; E605-E608 HydrophobicContact CB-CG 3.81Å; E605-E608 PolarHBondContact O-N 3Å; E606-E608 VanDerWaalsContact C-N 3.34Å; E606-E608 PolarHBondContact O-N 3.47Å; E608-D611 PolarHBondContact O-N 3.11Å; E608-A612 WeakPolarHBondContact O-CB 3.46Å; E608-A612 PolarHBondContact O-N 3.16Å
609F91.3Very high88.6Confident0 Ų069 Ų690%036%0.357CS..Hα-helixtrans-62.6-47.6172.8178.6-86000111.7C524 V525 L528 L536 F585 Q588 V589 A592 E605 E606 D611 A612 S613C524-F609 HydrophobicContact CB-CE1 4.2Å; C524-F609 HydrophobicContact CB-CZ 4.03Å; V525-F609 HydrophobicContact CG2-CE1 4.48Å; L528-F609 HydrophobicContact CD2-CB 4.35Å; L528-F609 HydrophobicContact CD2-CD1 3.57Å; L528-F609 HydrophobicContact CD2-CE1 4.07Å; L528-F609 HydrophobicContact CD2-CG 4Å; L536-F609 HydrophobicContact CD1-CE2 4.22Å; L536-F609 HydrophobicContact CD1-CZ 3.73Å; F585-F609 HydrophobicContact CE2-CZ 4.47Å; Q588-F609 HydrophobicContact CB-CD2 4.11Å; V589-F609 HydrophobicContact CB-CE2 4.48Å; V589-F609 HydrophobicContact CG2-CE2 3.74Å; V589-F609 HydrophobicContact CG2-CZ 4.42Å; A592-F609 HydrophobicContact CB-CD2 4.17Å; A592-F609 HydrophobicContact CB-CE2 4.44Å; E605-F609 PolarHBondContact O-N 3.43Å; E606-F609 PolarHBondContact O-N 3.41Å; F609-D611 VanDerWaalsContact C-N 3.32Å; F609-D611 PolarHBondContact O-N 3.38Å; F609-A612 PolarHBondContact O-N 2.85Å; F609-S613 WeakPolarHBondContact CE1-OG 3.34Å; F609-S613 WeakPolarHBondContact O-CB 3.39Å; F609-S613 PolarHBondContact O-N 3.1Å; F609-S613 PolarHBondContact O-OG 3.4Å
610I89.5Confident89.2Confident26 Ų2660.4 Ų60.413%0.13331%0.312CS..Hα-helixtrans-61.2-43.9178.4-69.1165.9000110.2V525 E606 N607 S613 R614V525-I610 HydrophobicContact CG1-CD1 4.46Å; V525-I610 HydrophobicContact CG1-CG1 4.34Å; V525-I610 HydrophobicContact CG2-CG1 4.1Å; E606-I610 VanDerWaalsContact O-CG1 3.28Å; E606-I610 WeakPolarHBondContact O-CG1 3.42Å; E606-I610 PolarHBondContact O-N 3.03Å; N607-I610 PolarHBondContact O-N 3.17Å; I610-S613 PolarHBondContact O-N 2.91Å; I610-R614 VanDerWaalsContact O-CG 3.31Å; I610-R614 WeakPolarHBondContact O-CG 3.31Å; I610-R614 PolarHBondContact O-N 3.21Å
611D90Very high89.5Confident76 Ų7656.4 Ų56.441%0.40628%0.284SS..Hα-helixtrans-65.4-42.8178-76.9-13000111.7N607 E608 F609 S613 R614 L615N607-D611 WeakPolarHBondContact O-CB 3.43Å; N607-D611 VanDerWaalsContact O-CG 3.31Å; N607-D611 PolarHBondContact O-N 2.92Å; E608-D611 PolarHBondContact O-N 3.11Å; F609-D611 VanDerWaalsContact C-N 3.32Å; F609-D611 PolarHBondContact O-N 3.38Å; D611-S613 VanDerWaalsContact C-N 3.33Å; D611-S613 PolarHBondContact O-N 3.13Å; D611-R614 PolarHBondContact O-N 3.13Å; D611-R614 IonicContact OD1-NH1 2.68Å; D611-L615 VanDerWaalsContact O-CG 3.31Å; D611-L615 WeakPolarHBondContact O-CG 3.41Å; D611-L615 PolarHBondContact O-N 3.31Å
612A92.6Very high89.9Confident1 Ų154.7 Ų54.71%0.00827%0.27CS..Hα-helixtrans-62.1-40.1174.900000112.1R584 Q588 E608 F609 L615 V616R584-A612 HydrophobicContact CG-CB 4.24Å; Q588-A612 HydrophobicContact CB-CB 4.19Å; Q588-A612 HydrophobicContact CG-CB 3.86Å; E608-A612 WeakPolarHBondContact O-CB 3.46Å; E608-A612 PolarHBondContact O-N 3.16Å; F609-A612 PolarHBondContact O-N 2.85Å; A612-L615 PolarHBondContact O-N 2.75Å; A612-V616 PolarHBondContact O-N 2.98Å
613S91.7Very high90.3Very high0 Ų048.8 Ų48.80%024%0.242CC..Hα-helixtrans-66.2-41.8177.1-55.90000112.1V521 F585 F609 I610 D611 L615 V616V521-S613 WeakPolarHBondContact CG2-O 3.49Å; F585-S613 WeakPolarHBondContact CE2-OG 3.44Å; F609-S613 WeakPolarHBondContact CE1-OG 3.34Å; F609-S613 WeakPolarHBondContact O-CB 3.39Å; F609-S613 PolarHBondContact O-N 3.1Å; F609-S613 PolarHBondContact O-OG 3.4Å; I610-S613 PolarHBondContact O-N 2.91Å; D611-S613 VanDerWaalsContact C-N 3.33Å; D611-S613 PolarHBondContact O-N 3.13Å; S613-L615 VanDerWaalsContact C-N 3.32Å; S613-L615 PolarHBondContact O-N 3.03Å; S613-V616 WeakPolarHBondContact O-CB 3.22Å; S613-V616 PolarHBondContact O-N 2.95Å
614R88.7Confident90.6Very high141 Ų14144.5 Ų44.553%0.53221%0.209SC..Hα-helixtrans-61.8-38.5174.9-76171.8177.21641.2112.5I610 D611 V616 Y617 D618I610-R614 VanDerWaalsContact O-CG 3.31Å; I610-R614 WeakPolarHBondContact O-CG 3.31Å; I610-R614 PolarHBondContact O-N 3.21Å; D611-R614 PolarHBondContact O-N 3.13Å; D611-R614 IonicContact OD1-NH1 2.68Å; R614-V616 PolarHBondContact O-N 2.78Å; R614-Y617 WeakPolarHBondContact O-CB 3.4Å; R614-Y617 PolarHBondContact O-N 3.03Å; R614-Y617 VanDerWaalsContact O-N 3.17Å; R614-D618 PolarHBondContact O-N 3.42Å
615L93.2Very high90.5Very high40 Ų4046.9 Ų46.921%0.20922%0.219CC..Hα-helixtrans-61.9-30.6177.1-71.6173000112.5V581 R584 D611 A612 S613 G619 T653V581-L615 VanDerWaalsContact CG1-C 3.44Å; V581-L615 HydrophobicContact CG1-CB 3.9Å; V581-L615 WeakPolarHBondContact CG1-O 3.22Å; V581-L615 HydrophobicContact CG2-CB 4.48Å; R584-L615 VanDerWaalsContact NH1-CD1 3.31Å; D611-L615 VanDerWaalsContact O-CG 3.31Å; D611-L615 WeakPolarHBondContact O-CG 3.41Å; D611-L615 PolarHBondContact O-N 3.31Å; A612-L615 PolarHBondContact O-N 2.75Å; S613-L615 VanDerWaalsContact C-N 3.32Å; S613-L615 PolarHBondContact O-N 3.03Å; L615-G619 PolarHBondContact O-N 3.16Å; L615-T653 HydrophobicContact CD2-CG2 3.62Å
616V95.8Very high90.3Very high0 Ų041.8 Ų41.80%020%0.198CC..Hα-helixtrans-63.8-47.8174.4-175.90000110.6I517 I543 L577 V581 M582 F585 A612 S613 R614 G619 V620I517-V616 HydrophobicContact CG2-CG1 4.04Å; I543-V616 HydrophobicContact CG2-CB 4.44Å; I543-V616 HydrophobicContact CG2-CG1 3.69Å; I543-V616 HydrophobicContact CG2-CG2 4.46Å; L577-V616 HydrophobicContact CD1-CG1 4.46Å; V581-V616 HydrophobicContact CG1-CB 4.31Å; V581-V616 HydrophobicContact CG1-CG2 3.89Å; M582-V616 HydrophobicContact SD-CG1 3.78Å; M582-V616 HydrophobicContact SD-CG2 4Å; F585-V616 HydrophobicContact CB-CG2 3.74Å; F585-V616 HydrophobicContact CD1-CG2 4.27Å; F585-V616 HydrophobicContact CD2-CG2 3.99Å; F585-V616 HydrophobicContact CG-CG2 3.73Å; A612-V616 PolarHBondContact O-N 2.98Å; S613-V616 WeakPolarHBondContact O-CB 3.22Å; S613-V616 PolarHBondContact O-N 2.95Å; R614-V616 PolarHBondContact O-N 2.78Å; V616-G619 PolarHBondContact O-N 3.29Å; V616-V620 PolarHBondContact O-N 3.36Å; V616-V620 VanDerWaalsContact O-N 3.13Å
617Y92Very high90.1Very high40 Ų4037.6 Ų37.616%0.15718%0.178CC..Hα-helixtrans-59.9-50.4175.9170.1-99.5000111.7E514 L518 R614 G619 V620 R621E514-Y617 HydrophobicContact CG-CD2 4.17Å; E514-Y617 HydrophobicContact CG-CE2 3.48Å; E514-Y617 VanDerWaalsContact CG-CE2 3.48Å; E514-Y617 PolarHBondContact OE1-OH 2.87Å; L518-Y617 HydrophobicContact CB-CD2 3.72Å; L518-Y617 HydrophobicContact CB-CE2 3.87Å; L518-Y617 HydrophobicContact CD1-CD2 4.02Å; L518-Y617 HydrophobicContact CD1-CE2 4.27Å; L518-Y617 HydrophobicContact CD1-CG 4.21Å; L518-Y617 HydrophobicContact CD2-CE2 4.07Å; L518-Y617 HydrophobicContact CG-CD2 4.31Å; L518-Y617 HydrophobicContact CG-CE2 4.29Å; R614-Y617 WeakPolarHBondContact O-CB 3.4Å; R614-Y617 PolarHBondContact O-N 3.03Å; R614-Y617 VanDerWaalsContact O-N 3.17Å; Y617-G619 VanDerWaalsContact C-N 3.3Å; Y617-G619 PolarHBondContact O-N 3.4Å; Y617-V620 PolarHBondContact O-N 2.94Å; Y617-R621 PolarHBondContact O-N 2.85Å
618D89.2Confident89.7Confident27 Ų2733.8 Ų33.814%0.14416%0.158CC..Hα-helixtrans-59.3-40.6178.1-81.8-29.1000111.8R614 V620 R621 D622 T653R614-D618 PolarHBondContact O-N 3.42Å; D618-V620 PolarHBondContact O-N 3.48Å; D618-R621 PolarHBondContact O-N 3.44Å; D618-R621 IonicContact OD1-NH2 3.93Å; D618-D622 WeakPolarHBondContact O-CB 3.46Å; D618-D622 VanDerWaalsContact O-CG 3.27Å; D618-D622 PolarHBondContact O-N 3.4Å; D618-T653 HydrophobicContact CB-CG2 4.36Å
619G92.9Very high88.8Confident7 Ų734.4 Ų34.47%0.07216%0.162CC..Hα-helixtrans-62-41.7177.700000113.1L615 V616 Y617 D622 I623L615-G619 PolarHBondContact O-N 3.16Å; V616-G619 PolarHBondContact O-N 3.29Å; Y617-G619 VanDerWaalsContact C-N 3.3Å; Y617-G619 PolarHBondContact O-N 3.4Å; G619-D622 PolarHBondContact O-N 2.99Å; G619-I623 WeakPolarHBondContact O-CG1 3.48Å; G619-I623 PolarHBondContact O-N 2.7Å; G619-I623 VanDerWaalsContact O-N 3.13Å
620V94.9Very high87.5Confident0 Ų037.7 Ų37.70%018%0.179CC..Hα-helixtrans-68.1-39.8174175.30000111.6E514 I517 V550 L577 V616 Y617 D618 D622 I623 R624E514-V620 HydrophobicContact CB-CG1 4.21Å; I517-V620 HydrophobicContact CD1-CB 4.22Å; I517-V620 HydrophobicContact CD1-CG1 4.25Å; I517-V620 HydrophobicContact CD1-CG2 3.45Å; I517-V620 VanDerWaalsContact CD1-CG2 3.45Å; V550-V620 HydrophobicContact CG2-CG1 4.41Å; L577-V620 HydrophobicContact CD2-CG2 3.79Å; V616-V620 PolarHBondContact O-N 3.36Å; V616-V620 VanDerWaalsContact O-N 3.13Å; Y617-V620 PolarHBondContact O-N 2.94Å; D618-V620 PolarHBondContact O-N 3.48Å; V620-D622 VanDerWaalsContact C-N 3.31Å; V620-D622 PolarHBondContact O-N 3.15Å; V620-I623 PolarHBondContact O-N 2.87Å; V620-R624 PolarHBondContact O-N 3.35Å
621R89.1Confident86.2Confident30 Ų3038 Ų3811%0.11318%0.178CC..Hα-helixtrans-62.7-38.2175.7-169.3170.579.6148.7-5.2112.1E514 Y617 D618 R624 K625 E645E514-R621 WeakPolarHBondContact OE1-CD 3.38Å; E514-R621 WeakPolarHBondContact OE1-CG 3.15Å; Y617-R621 PolarHBondContact O-N 2.85Å; D618-R621 PolarHBondContact O-N 3.44Å; D618-R621 IonicContact OD1-NH2 3.93Å; R621-R624 PolarHBondContact O-N 3.03Å; R621-K625 HydrophobicContact CG-CD 4.41Å; R621-K625 VanDerWaalsContact CZ-NZ 3.32Å; R621-K625 WeakPolarHBondContact O-CB 3.31Å; R621-K625 WeakPolarHBondContact O-CG 3.38Å; R621-K625 PolarHBondContact O-N 3.22Å; R621-E645 IonicContact NH1-OE1 2.86Å; R621-E645 PolarHBondContact NH1-OE1 2.65Å; R621-E645 IonicContact NH1-OE2 3.8Å; R621-E645 PolarHBondContact NH1-OE2 2.85Å
622D88.4Confident84.5Confident54 Ų5434.9 Ų34.929%0.28916%0.162SC..Hα-helixtrans-67.6-40.8177.5-75.1-16.7000111.8D618 G619 V620 K625 A626D618-D622 WeakPolarHBondContact O-CB 3.46Å; D618-D622 VanDerWaalsContact O-CG 3.27Å; D618-D622 PolarHBondContact O-N 3.4Å; G619-D622 PolarHBondContact O-N 2.99Å; V620-D622 VanDerWaalsContact C-N 3.31Å; V620-D622 PolarHBondContact O-N 3.15Å; D622-K625 PolarHBondContact O-N 3.04Å; D622-A626 WeakPolarHBondContact O-CB 3.48Å; D622-A626 PolarHBondContact O-N 3.36Å
623I93.1Very high82.4Confident0 Ų038.1 Ų38.10%018%0.183CC..Hα-helixtrans-58.9-48.4170.6-67.8168.5000110.2L510 V550 I554 A573 L577 G619 V620 K625 A626 V627L510-I623 HydrophobicContact CD2-CG2 4.18Å; V550-I623 HydrophobicContact CG1-CD1 4.09Å; V550-I623 HydrophobicContact CG1-CG2 4.36Å; I554-I623 HydrophobicContact CG1-CG2 3.9Å; I554-I623 HydrophobicContact CG2-CG2 4.3Å; A573-I623 HydrophobicContact CB-CG1 3.79Å; L577-I623 HydrophobicContact CB-CD1 4.07Å; L577-I623 HydrophobicContact CD2-CD1 3.51Å; L577-I623 HydrophobicContact CG-CD1 4.45Å; G619-I623 WeakPolarHBondContact O-CG1 3.48Å; G619-I623 PolarHBondContact O-N 2.7Å; G619-I623 VanDerWaalsContact O-N 3.13Å; V620-I623 PolarHBondContact O-N 2.87Å; I623-K625 PolarHBondContact O-N 3.17Å; I623-A626 WeakPolarHBondContact O-CB 3.41Å; I623-A626 PolarHBondContact O-N 3.49Å; I623-V627 WeakPolarHBondContact O-CG2 3.43Å; I623-V627 PolarHBondContact O-N 3.06Å
624R89.5Confident80.2Confident40 Ų4045.8 Ų45.815%0.15122%0.219CC..Hα-helixtrans-57.6-49.7178.2-176.4-175.6175.8-163.3-4.1111.2L510 E514 V620 R621 A626 V627 L628 D641L510-R624 HydrophobicContact CB-CB 4.28Å; L510-R624 HydrophobicContact CB-CG 4.04Å; L510-R624 HydrophobicContact CD1-CB 4.39Å; L510-R624 HydrophobicContact CD1-CG 4.42Å; E514-R624 WeakPolarHBondContact OE2-CD 3.38Å; E514-R624 IonicContact OE2-CZ 2.72Å; E514-R624 IonicContact OE2-NE 2.78Å; E514-R624 IonicContact OE2-NH1 3.22Å; E514-R624 PolarHBondContact OE2-NH1 3.39Å; V620-R624 PolarHBondContact O-N 3.35Å; R621-R624 PolarHBondContact O-N 3.03Å; R624-A626 VanDerWaalsContact C-N 3.3Å; R624-A626 PolarHBondContact O-N 3.26Å; R624-V627 PolarHBondContact O-N 3.44Å; R624-L628 HydrophobicContact CG-CD1 4.18Å; R624-L628 HydrophobicContact CG-CG 4.33Å; R624-L628 WeakPolarHBondContact O-CG 3.5Å; R624-L628 PolarHBondContact O-N 3.41Å; R624-D641 IonicContact NH2-OD2 2.91Å; R624-D641 PolarHBondContact NH2-OD2 3.14Å
625K83.8Confident78.3Confident93 Ų9341.9 Ų41.940%0.40421%0.207SC..Hα-helixtrans-57.7-42.6177.2-75.8173178.81720112.1R621 D622 I623 L628 M629R621-K625 HydrophobicContact CG-CD 4.41Å; R621-K625 VanDerWaalsContact CZ-NZ 3.32Å; R621-K625 WeakPolarHBondContact O-CB 3.31Å; R621-K625 WeakPolarHBondContact O-CG 3.38Å; R621-K625 PolarHBondContact O-N 3.22Å; D622-K625 PolarHBondContact O-N 3.04Å; I623-K625 PolarHBondContact O-N 3.17Å; K625-L628 PolarHBondContact O-N 2.84Å; K625-M629 VanDerWaalsContact O-CG 3.32Å; K625-M629 WeakPolarHBondContact O-CG 3.46Å; K625-M629 PolarHBondContact O-N 2.77Å
626A83.9Confident76.3Confident12 Ų1241.9 Ų41.910%0.09921%0.207CC..Hα-helixtrans-62.1-43.6177.900000112.1V570 D622 I623 R624 M629V570-A626 HydrophobicContact CG2-CB 4Å; D622-A626 WeakPolarHBondContact O-CB 3.48Å; D622-A626 PolarHBondContact O-N 3.36Å; I623-A626 WeakPolarHBondContact O-CB 3.41Å; I623-A626 PolarHBondContact O-N 3.49Å; R624-A626 VanDerWaalsContact C-N 3.3Å; R624-A626 PolarHBondContact O-N 3.26Å; A626-M629 WeakPolarHBondContact O-CB 3.35Å; A626-M629 PolarHBondContact O-N 2.92Å
627V83.8Confident74.1Confident2 Ų245.2 Ų45.21%0.01222%0.222CC..Hα-helixtrans-64.9-42.7176.8172.10000111.4V506 L510 I554 Y566 V570 I623 R624 M629V506-V627 HydrophobicContact CG1-CG1 4.48Å; L510-V627 HydrophobicContact CD1-CB 4.07Å; L510-V627 HydrophobicContact CD1-CG1 4.11Å; L510-V627 HydrophobicContact CD1-CG2 4.09Å; I554-V627 HydrophobicContact CD1-CG2 4.1Å; Y566-V627 PolarHBondContact OH-O 3.05Å; V570-V627 HydrophobicContact CG1-CG2 3.89Å; V570-V627 HydrophobicContact CG2-CG2 4.19Å; I623-V627 WeakPolarHBondContact O-CG2 3.43Å; I623-V627 PolarHBondContact O-N 3.06Å; R624-V627 PolarHBondContact O-N 3.44Å; V627-M629 PolarHBondContact O-N 3Å
628L80.1Confident72.1Confident29 Ų2946.1 Ų46.115%0.15223%0.23CC..Hα-helixtrans-69.1-13.1-179.4-63.3-171.9000113.7R624 K625 I630 R631 L636R624-L628 HydrophobicContact CG-CD1 4.18Å; R624-L628 HydrophobicContact CG-CG 4.33Å; R624-L628 WeakPolarHBondContact O-CG 3.5Å; R624-L628 PolarHBondContact O-N 3.41Å; K625-L628 PolarHBondContact O-N 2.84Å; L628-I630 PolarHBondContact O-N 3.27Å; L628-I630 VanDerWaalsContact O-N 3.14Å; L628-R631 HydrophobicContact CD2-CG 4.04Å; L628-R631 PolarHBondContact O-N 3.3Å; L628-R631 VanDerWaalsContact O-N 3.08Å; L628-L636 HydrophobicContact CD1-CD2 4.28Å; L628-L636 HydrophobicContact CD2-CD2 3.72Å; L628-L636 HydrophobicContact CG-CD2 4.42Å
629M70.4Confident69.8Low105 Ų10550.2 Ų50.252%0.51725%0.252SS..THydrogen-bonded Turntrans-59.3-26.8-178.5-72.6-164.4164.100114.3K625 A626 V627K625-M629 VanDerWaalsContact O-CG 3.32Å; K625-M629 WeakPolarHBondContact O-CG 3.46Å; K625-M629 PolarHBondContact O-N 2.77Å; A626-M629 WeakPolarHBondContact O-CB 3.35Å; A626-M629 PolarHBondContact O-N 2.92Å; V627-M629 PolarHBondContact O-N 3Å
630I64.8Low67.4Low69 Ų6952.3 Ų52.335%0.35427%0.265SS..THydrogen-bonded Turntrans-97.2-5.9179.461.2160.6000113.7Y561 Y566 L628Y561-I630 HydrophobicContact CE1-CD1 3.94Å; Y566-I630 HydrophobicContact CD1-CD1 4.17Å; Y566-I630 HydrophobicContact CD1-CG2 4.38Å; Y566-I630 HydrophobicContact CD2-CB 4.4Å; Y566-I630 HydrophobicContact CD2-CD1 4.44Å; Y566-I630 HydrophobicContact CD2-CG1 4.28Å; Y566-I630 HydrophobicContact CD2-CG2 3.33Å; Y566-I630 HydrophobicContact CE1-CD1 3.53Å; Y566-I630 HydrophobicContact CE1-CG1 4.28Å; Y566-I630 HydrophobicContact CE2-CB 4.2Å; Y566-I630 HydrophobicContact CE2-CD1 3.83Å; Y566-I630 HydrophobicContact CE2-CG1 3.62Å; Y566-I630 HydrophobicContact CE2-CG2 3.59Å; Y566-I630 HydrophobicContact CG-CG2 3.76Å; Y566-I630 WeakPolarHBondContact OH-CD1 3.47Å; L628-I630 PolarHBondContact O-N 3.27Å; L628-I630 VanDerWaalsContact O-N 3.14Å
631R62.7Low64.9Low31 Ų3155.1 Ų55.112%0.11728%0.28CS..  trans-79.4138.7-177.6-61.1-66.4-167.9-168.1-2.6110.1D507 L628 E635 L636D507-R631 IonicContact OD1-CZ 3.52Å; D507-R631 IonicContact OD1-NE 3.23Å; D507-R631 PolarHBondContact OD1-NE 2.87Å; D507-R631 VanDerWaalsContact OD1-NE 3.16Å; D507-R631 IonicContact OD1-NH2 3.98Å; D507-R631 PolarHBondContact OD1-NH2 3.37Å; D507-R631 VanDerWaalsContact OD1-NH2 3.08Å; D507-R631 IonicContact OD2-CZ 2.8Å; D507-R631 VanDerWaalsContact OD2-CZ 3.28Å; D507-R631 IonicContact OD2-NE 2.79Å; D507-R631 PolarHBondContact OD2-NE 2.98Å; D507-R631 VanDerWaalsContact OD2-NE 3.13Å; D507-R631 IonicContact OD2-NH2 2.72Å; D507-R631 PolarHBondContact OD2-NH2 3.1Å; L628-R631 HydrophobicContact CD2-CG 4.04Å; L628-R631 PolarHBondContact O-N 3.3Å; L628-R631 VanDerWaalsContact O-N 3.08Å; R631-E635 WeakPolarHBondContact CA-OE2 3.45Å; R631-L636 HydrophobicContact CB-CD1 4.42Å; R631-L636 HydrophobicContact CB-CD2 3.91Å; R631-L636 HydrophobicContact CB-CG 3.93Å; R631-L636 HydrophobicContact CG-CD2 4.32Å
632T53.8Low62.5Low11 Ų1160 Ų607%0.06730%0.303CS..  trans-77.1152.8171.1690000110.4E634 E635 L636 D698 A702T632-E634 PolarHBondContact O-N 3.27Å; T632-E634 PolarHBondContact OG1-N 3.35Å; T632-E635 PolarHBondContact N-OE2 3.46Å; T632-E635 PolarHBondContact O-N 3.08Å; T632-E635 WeakPolarHBondContact OG1-CB 3.36Å; T632-E635 VanDerWaalsContact OG1-CG 3.28Å; T632-E635 WeakPolarHBondContact OG1-CG 3.45Å; T632-E635 PolarHBondContact OG1-N 3.48Å; T632-L636 WeakPolarHBondContact O-CG 3.45Å; T632-L636 PolarHBondContact O-N 3.48Å; T632-D698 HydrophobicContact CG2-CB 4.25Å; T632-A702 HydrophobicContact CG2-CB 4.18Å
633P49.8Very low59.8Low70 Ų7065.8 Ų65.846%0.45533%0.328SS..THydrogen-bonded Turntrans-56.9-19.2169.3-24.834.4000113.7
634E43.4Very low56.9Low161 Ų16172.7 Ų72.775%0.75236%0.36SS*.THydrogen-bonded Turntrans-81.9-29.1174.9-65.1170.1173.500112.5T632T632-E634 PolarHBondContact O-N 3.27Å; T632-E634 PolarHBondContact OG1-N 3.35Å
635E49.7Very low54.2Low58 Ų5875.9 Ų75.927%0.27138%0.377SS..THydrogen-bonded Turntrans-79.4-33.6172.5-73.8167-178.300111.5R631 T632 E637R631-E635 WeakPolarHBondContact CA-OE2 3.45Å; T632-E635 PolarHBondContact N-OE2 3.46Å; T632-E635 PolarHBondContact O-N 3.08Å; T632-E635 WeakPolarHBondContact OG1-CB 3.36Å; T632-E635 VanDerWaalsContact OG1-CG 3.28Å; T632-E635 WeakPolarHBondContact OG1-CG 3.45Å; T632-E635 PolarHBondContact OG1-N 3.48Å; E635-E637 PolarHBondContact O-N 2.97Å
636L52.1Low51.5Low40 Ų4079.2 Ų79.221%0.20940%0.399CS..SBendtrans-72.691.2166.7-62.4174.7000108L628 R631 T632 D638L628-L636 HydrophobicContact CD1-CD2 4.28Å; L628-L636 HydrophobicContact CD2-CD2 3.72Å; L628-L636 HydrophobicContact CG-CD2 4.42Å; R631-L636 HydrophobicContact CB-CD1 4.42Å; R631-L636 HydrophobicContact CB-CD2 3.91Å; R631-L636 HydrophobicContact CB-CG 3.93Å; R631-L636 HydrophobicContact CG-CD2 4.32Å; T632-L636 WeakPolarHBondContact O-CG 3.45Å; T632-L636 PolarHBondContact O-N 3.48Å; L636-D638 PolarHBondContact O-N 3.21Å
637E48.9Very low48.9Very low70 Ų7088.9 Ų88.933%0.32743%0.434SS..  trans-63.918.4-178-67.9-170.6147.100115.3R374 R378 R381 E635R374-E637 WeakPolarHBondContact CD-OE1 3.44Å; R378-E637 PolarHBondContact NH1-O 3.48Å; R381-E637 IonicContact CZ-OE2 3.27Å; R381-E637 IonicContact NH1-OE2 3.64Å; R381-E637 IonicContact NH2-OE2 2.79Å; R381-E637 PolarHBondContact NH2-OE2 2.98Å; E635-E637 PolarHBondContact O-N 2.97Å
638D49.7Very low46.3Very low59 Ų5996.1 Ų96.132%0.31647%0.473SS..  trans-171.5146.9166.1-139.4-24.1000115.1R378 L636 S640R378-D638 IonicContact CZ-OD2 3.68Å; R378-D638 VanDerWaalsContact CZ-OD2 3.29Å; R378-D638 IonicContact NE-OD2 2.7Å; R378-D638 IonicContact NH2-OD2 2.81Å; R378-D638 PolarHBondContact NH2-OD2 3.35Å; L636-D638 PolarHBondContact O-N 3.21Å; D638-S640 VanDerWaalsContact C-N 3.34Å; D638-S640 VanDerWaalsContact CG-CB 3.41Å; D638-S640 PolarHBondContact OD1-N 3.13Å; D638-S640 VanDerWaalsContact OD2-CB 3.24Å; D638-S640 WeakPolarHBondContact OD2-CB 3.25Å; D638-S640 PolarHBondContact OD2-OG 2.77Å
639D41.4Very low43.8Very low114 Ų114100 Ų10061%0.6150%0.498SS*.SBendtrans-83.2-8.6159.3-80.1-39.8000111.7D641 F642 E643D639-D641 PolarHBondContact O-N 3.23Å; D639-F642 WeakPolarHBondContact O-CA 3.41Å; D639-F642 WeakPolarHBondContact O-CB 3.34Å; D639-F642 PolarHBondContact O-N 2.79Å; D639-E643 PolarHBondContact O-N 2.84Å; D639-E643 VanDerWaalsContact O-N 3.14Å
640S43Very low41.7Very low51 Ų51105.3 Ų105.336%0.35751%0.512SS..THydrogen-bonded Turntrans-64.7-21.6-177.975.60000115.1D638 F642D638-S640 VanDerWaalsContact C-N 3.34Å; D638-S640 VanDerWaalsContact CG-CB 3.41Å; D638-S640 PolarHBondContact OD1-N 3.13Å; D638-S640 VanDerWaalsContact OD2-CB 3.24Å; D638-S640 WeakPolarHBondContact OD2-CB 3.25Å; D638-S640 PolarHBondContact OD2-OG 2.77Å; S640-F642 VanDerWaalsContact C-N 3.26Å
641D40.7Very low40Very low58 Ų58106 Ų10631%0.3152%0.523SS..THydrogen-bonded Turntrans-77-13.1171.7-82.413.7000111.6K382 S511 R624 D639K382-D641 IonicContact NZ-OD1 3.59Å; K382-D641 PolarHBondContact NZ-OD1 3.02Å; K382-D641 IonicContact NZ-OD2 3.68Å; K382-D641 PolarHBondContact NZ-OD2 3.07Å; S511-D641 PolarHBondContact OG-OD2 3.02Å; R624-D641 IonicContact NH2-OD2 2.91Å; R624-D641 PolarHBondContact NH2-OD2 3.14Å; D639-D641 PolarHBondContact O-N 3.23Å
642F39.6Very low38.2Very low134 Ų134115.3 Ų115.359%0.58856%0.558SS**THydrogen-bonded Turntrans-96.2-30172.8-72.1-82000113.2D639 S640 Q644D639-F642 WeakPolarHBondContact O-CA 3.41Å; D639-F642 WeakPolarHBondContact O-CB 3.34Å; D639-F642 PolarHBondContact O-N 2.79Å; S640-F642 VanDerWaalsContact C-N 3.26Å; F642-Q644 PolarHBondContact O-N 3.1Å
643E32.3Very low36.9Very low175 Ų175117.7 Ų117.782%0.81857%0.573SS**THydrogen-bonded Turntrans-73.6-3.3-176.6-70.7-154.3157.900114.8D639D639-E643 PolarHBondContact O-N 2.84Å; D639-E643 VanDerWaalsContact O-N 3.14Å
644Q30.8Very low36.1Very low145 Ų145117.1 Ų117.168%0.67857%0.57SS**THydrogen-bonded Turntrans-99.52.3179.9-149.516028.200115.4F642 D646F642-Q644 PolarHBondContact O-N 3.1Å; Q644-D646 PolarHBondContact O-N 2.77Å
645E33.4Very low35.4Very low107 Ų107115.2 Ų115.250%0.557%0.57SS.*  trans-94.163.4176.2-69.6-166.4173.600112.8R621 Y647R621-E645 IonicContact NH1-OE1 2.86Å; R621-E645 PolarHBondContact NH1-OE1 2.65Å; R621-E645 IonicContact NH1-OE2 3.8Å; R621-E645 PolarHBondContact NH1-OE2 2.85Å; E645-Y647 PolarHBondContact O-N 3.16Å
646D27.2Very low34.2Very low162 Ų162120.8 Ų120.887%0.86660%0.596SS**  trans-78.534154.9-100.4-10.7000111.1Q644Q644-D646 PolarHBondContact O-N 2.77Å
647Y28.7Very low33.4Very low215 Ų215122.6 Ų122.684%0.84361%0.608SS**  trans-113.265.5168.9-74.7-80.9000109.6E645 V649E645-Y647 PolarHBondContact O-N 3.16Å; Y647-V649 PolarHBondContact O-N 3.44Å
648D29.4Very low32.8Very low154 Ų154128.8 Ų128.882%0.82464%0.637SS**  trans-48121.6143.8-93.7-37.5000108.3
649V27.7Very low32.2Very low112 Ų112133.1 Ų133.168%0.67966%0.66SS**SBendtrans156.6105.1144.61660000108.8Y647Y647-V649 PolarHBondContact O-N 3.44Å
650R27.8Very low32Very low216 Ų216130.2 Ų130.282%0.81565%0.645SS**  trans75.871.5155.5-59.2163.5-172.5172.31.2118.6R652R650-R652 PolarHBondContact O-N 3.28Å
651S27.7Very low32Very low83 Ų83134.6 Ų134.658%0.5866%0.66SS**  trans-71103.7143.3-77.90000109.2
652R25.4Very low32Very low226 Ų226136.6 Ų136.685%0.85367%0.67SS**  trans-11051.2165-76-178.279.3128.8-3.4110.4R650R650-R652 PolarHBondContact O-N 3.28Å
653T25.6Very low32.4Very low62 Ų62132 Ų13238%0.3865%0.651SS.*  trans-100.189.7164.742.90000109.1L615 D618L615-T653 HydrophobicContact CD2-CG2 3.62Å; D618-T653 HydrophobicContact CB-CG2 4.36Å
654S33.5Very low33.1Very low57 Ų57126.8 Ų126.840%0.39964%0.638SS.*  trans-161.8104160.1162.40000106.6Q656 K736S654-Q656 PolarHBondContact O-N 2.83Å; S654-K736 WeakPolarHBondContact OG-CE 3.33Å; S654-K736 PolarHBondContact OG-NZ 3.04Å
655V29.7Very low34Very low122 Ų122122.6 Ų122.674%0.73963%0.634SS**  trans-38.7128.2163.8179.70000108.9T657V655-T657 PolarHBondContact O-N 3.24Å
656Q24.4Very low35Very low175 Ų175121.3 Ų121.382%0.81863%0.628SS**  trans-60.998.4172.1-71.1175.4-17.600107.3S654S654-Q656 PolarHBondContact O-N 2.83Å
657T34.2Very low37.1Very low77 Ų77114.5 Ų114.547%0.47259%0.593SS.*  trans-85.6121.4164.644.90000106.5V655 D659 D660 K736V655-T657 PolarHBondContact O-N 3.24Å; T657-D659 PolarHBondContact O-N 2.78Å; T657-D660 PolarHBondContact O-N 2.89Å; T657-K736 PolarHBondContact OG1-NZ 3.47Å
658E37.5Very low39.3Very low201 Ų201104.8 Ų104.894%0.93956%0.557SS**THydrogen-bonded Turntrans-59.4-2.2-169.9-63.7179.7149.500115.6
659D35.8Very low41.6Very low150 Ų150100 Ų10080%0.80253%0.527SS*.THydrogen-bonded Turntrans-10120.5-179.7-79.5-31.1000114.4T657 Q661T657-D659 PolarHBondContact O-N 2.78Å; D659-Q661 PolarHBondContact O-N 3.26Å
660D37.7Very low43.6Very low53 Ų5396.1 Ų96.128%0.28351%0.507SS..  trans-67.1106.9171.8-85.6-16.5000109.7T657 L662T657-D660 PolarHBondContact O-N 2.89Å; D660-L662 VanDerWaalsContact C-N 3.25Å; D660-L662 HydrophobicContact CB-CD2 4.03Å; D660-L662 HydrophobicContact CB-CG 4.28Å; D660-L662 PolarHBondContact O-N 3.41Å
661Q42.8Very low45.7Very low142 Ų14287.6 Ų87.666%0.66448%0.477SS*.  trans-64.791.1162.3-70.5-17614.500108.3D659 I663D659-Q661 PolarHBondContact O-N 3.26Å; Q661-I663 PolarHBondContact O-N 2.83Å
662L41.6Very low48.2Very low101 Ų10184.3 Ų84.353%0.52945%0.453SS..  trans-75.1119.8178.6-63.5172.8000109.7D660D660-L662 VanDerWaalsContact C-N 3.25Å; D660-L662 HydrophobicContact CB-CD2 4.03Å; D660-L662 HydrophobicContact CB-CG 4.28Å; D660-L662 PolarHBondContact O-N 3.41Å
663I48.1Very low50.6Low38 Ų3875.4 Ų75.420%0.19543%0.428CS..BIsolated β-bridgetrans-87.3113.6167.8-60.6180000106.7Q661 G665 Q666 I671 V799Q661-I663 PolarHBondContact O-N 2.83Å; I663-G665 PolarHBondContact O-N 3.1Å; I663-G665 VanDerWaalsContact O-N 3.08Å; I663-Q666 PolarHBondContact N-O 3.48Å; I663-Q666 PolarHBondContact O-N 2.92Å; I663-Q666 VanDerWaalsContact O-O 3.06Å; I663-I671 HydrophobicContact CB-CD1 4.08Å; I663-I671 HydrophobicContact CG2-CD1 4.12Å; I663-V799 HydrophobicContact CG2-CB 3.44Å; I663-V799 VanDerWaalsContact CG2-CB 3.44Å; I663-V799 HydrophobicContact CG2-CG1 4.01Å; I663-V799 HydrophobicContact CG2-CG2 3.35Å
664A46.4Very low53Low65 Ų6578.1 Ų78.154%0.53744%0.436SS..THydrogen-bonded Turntrans50.133.5-176.700000114.6L806A664-L806 HydrophobicContact CB-CD2 3.87Å
665G50.5Low55.1Low57 Ų5776.2 Ų76.259%0.58842%0.421SS*.THydrogen-bonded Turntrans85.31.1179.200000115.6I663I663-G665 PolarHBondContact O-N 3.1Å; I663-G665 VanDerWaalsContact O-N 3.08Å
666Q54.4Low57.5Low80 Ų8073.5 Ų73.537%0.37441%0.406SS..BIsolated β-bridgetrans-121.9151.4175.8-66.7-176-9.500111.2I663 A670 I671I663-Q666 PolarHBondContact N-O 3.48Å; I663-Q666 PolarHBondContact O-N 2.92Å; I663-Q666 VanDerWaalsContact O-O 3.06Å; Q666-A670 HydrophobicContact CB-CB 4.36Å; Q666-I671 HydrophobicContact CB-CG1 4.25Å
667S70.5Confident59.9Low19 Ų1972.2 Ų72.213%0.13340%0.4CS..  trans-72.6151.4170.768.40000110.4R669 A670 I671S667-R669 PolarHBondContact O-N 2.77Å; S667-A670 WeakPolarHBondContact O-CA 3.41Å; S667-A670 WeakPolarHBondContact O-CB 3.41Å; S667-A670 PolarHBondContact O-N 3.2Å; S667-A670 PolarHBondContact OG-N 3.12Å; S667-I671 PolarHBondContact O-N 3.21Å; S667-I671 VanDerWaalsContact O-N 3.16Å
668A74.5Confident62Low11 Ų1174.9 Ų74.99%0.09141%0.407CS..Hα-helixtrans-57.1-36.5179.400000112.5A670 I671 M672 F728 K736A668-A670 VanDerWaalsContact C-N 3.35Å; A668-A670 PolarHBondContact O-N 3.29Å; A668-I671 WeakPolarHBondContact O-CB 3.43Å; A668-I671 PolarHBondContact O-N 3.06Å; A668-M672 WeakPolarHBondContact O-CG 3.41Å; A668-M672 PolarHBondContact O-N 3.3Å; A668-F728 HydrophobicContact CB-CE2 4.18Å; A668-F728 HydrophobicContact CB-CZ 3.73Å; A668-K736 PolarHBondContact N-O 3.44Å
669R77.8Confident64.1Low53 Ų5366.3 Ų66.320%0.237%0.367CS..Hα-helixtrans-60.7-40.4172.7178.6179.441.7166.23112.8S667 I671 M672 A673 F728 G731 G733 L735 K736S667-R669 PolarHBondContact O-N 2.77Å; R669-I671 VanDerWaalsContact C-N 3.26Å; R669-I671 PolarHBondContact O-N 3.42Å; R669-M672 PolarHBondContact O-N 3.14Å; R669-A673 PolarHBondContact O-N 3.3Å; R669-F728 HydrophobicContact CB-CD2 4.04Å; R669-F728 HydrophobicContact CB-CE2 3.86Å; R669-G731 VanDerWaalsContact CG-C 3.49Å; R669-G731 WeakPolarHBondContact CG-O 3.4Å; R669-G731 WeakPolarHBondContact O-CA 3.38Å; R669-G733 PolarHBondContact NH1-O 3.33Å; R669-L735 VanDerWaalsContact CD-O 3.24Å; R669-L735 WeakPolarHBondContact CD-O 3.36Å; R669-L735 PolarHBondContact NE-O 3.26Å; R669-K736 WeakPolarHBondContact CB-O 3.43Å; R669-K736 PolarHBondContact N-O 3.37Å; R669-K736 VanDerWaalsContact NH2-CG 3.32Å
670A69.7Low66.2Low31 Ų3162.8 Ų62.826%0.25635%0.345SS..Hα-helixtrans-67.2-29.5177.200000112.3Q666 S667 A668 Q674Q666-A670 HydrophobicContact CB-CB 4.36Å; S667-A670 WeakPolarHBondContact O-CA 3.41Å; S667-A670 WeakPolarHBondContact O-CB 3.41Å; S667-A670 PolarHBondContact O-N 3.2Å; S667-A670 PolarHBondContact OG-N 3.12Å; A668-A670 VanDerWaalsContact C-N 3.35Å; A668-A670 PolarHBondContact O-N 3.29Å; A670-Q674 WeakPolarHBondContact O-CG 3.3Å; A670-Q674 PolarHBondContact O-N 3.19Å; A670-Q674 PolarHBondContact O-NE2 3.48Å
671I72.5Confident68.3Low36 Ų3663 Ų6319%0.18535%0.354CS..Hα-helixtrans-70.3-45.7172.3-56.7171.2000110I663 Q666 S667 A668 R669 A673 Q674 L675 M858I663-I671 HydrophobicContact CB-CD1 4.08Å; I663-I671 HydrophobicContact CG2-CD1 4.12Å; Q666-I671 HydrophobicContact CB-CG1 4.25Å; S667-I671 PolarHBondContact O-N 3.21Å; S667-I671 VanDerWaalsContact O-N 3.16Å; A668-I671 WeakPolarHBondContact O-CB 3.43Å; A668-I671 PolarHBondContact O-N 3.06Å; R669-I671 VanDerWaalsContact C-N 3.26Å; R669-I671 PolarHBondContact O-N 3.42Å; I671-A673 PolarHBondContact O-N 3.22Å; I671-Q674 PolarHBondContact O-N 3.44Å; I671-L675 PolarHBondContact O-N 3.11Å; I671-M858 HydrophobicContact CG2-CE 3.73Å; I671-M858 HydrophobicContact CG2-SD 3.76Å
672M80.1Confident70.3Confident14 Ų1460.3 Ų60.37%0.06934%0.34CS..Hα-helixtrans-58-36.6174-64.1-55.5-65.200112.4A668 R669 Q674 L675 I683 F728 T729 M858 A862A668-M672 WeakPolarHBondContact O-CG 3.41Å; A668-M672 PolarHBondContact O-N 3.3Å; R669-M672 PolarHBondContact O-N 3.14Å; M672-Q674 PolarHBondContact O-N 3Å; M672-L675 HydrophobicContact CE-CD1 3.54Å; M672-L675 WeakPolarHBondContact O-CG 3.37Å; M672-L675 PolarHBondContact O-N 2.94Å; M672-L675 HydrophobicContact SD-CD1 4.13Å; M672-I683 HydrophobicContact CE-CD1 4.06Å; M672-F728 HydrophobicContact CG-CE1 4.23Å; M672-F728 HydrophobicContact CG-CZ 4.47Å; M672-T729 WeakPolarHBondContact CE-O 3.46Å; M672-M858 HydrophobicContact CE-CG 4.37Å; M672-M858 HydrophobicContact SD-CG 3.57Å; M672-M858 VanDerWaalsContact SD-CG 3.57Å; M672-M858 HydrophobicContact SD-SD 3.57Å; M672-A862 HydrophobicContact CE-CB 3.64Å
673A76.2Confident72.3Confident40 Ų4055.6 Ų55.633%0.33132%0.316SS..THydrogen-bonded Turntrans-66.7-20.117600000113.5R669 I671 K680R669-A673 PolarHBondContact O-N 3.3Å; I671-A673 PolarHBondContact O-N 3.22Å; A673-K680 WeakPolarHBondContact O-CE 3.35Å; A673-K680 PolarHBondContact O-NZ 3.28Å
674Q75.6Confident74Confident119 Ų11956.2 Ų56.256%0.55633%0.326SS*.THydrogen-bonded Turntrans-99.64.3-178.5-74.3173.264.300113.8A670 I671 M672A670-Q674 WeakPolarHBondContact O-CG 3.3Å; A670-Q674 PolarHBondContact O-N 3.19Å; A670-Q674 PolarHBondContact O-NE2 3.48Å; I671-Q674 PolarHBondContact O-N 3.44Å; M672-Q674 PolarHBondContact O-N 3Å
675L77.7Confident75.9Confident17 Ų1759 Ų599%0.08933%0.328CS..SBendtrans-56.6148.3176.7-70.1172.8000112.1I671 M672 E679 K680 I683 M858I671-L675 PolarHBondContact O-N 3.11Å; M672-L675 HydrophobicContact CE-CD1 3.54Å; M672-L675 WeakPolarHBondContact O-CG 3.37Å; M672-L675 PolarHBondContact O-N 2.94Å; M672-L675 HydrophobicContact SD-CD1 4.13Å; L675-E679 HydrophobicContact CB-CB 4.48Å; L675-E679 WeakPolarHBondContact CD2-OE2 3.49Å; L675-K680 HydrophobicContact CB-CG 4.11Å; L675-K680 WeakPolarHBondContact O-CD 3.23Å; L675-K680 WeakPolarHBondContact O-CE 2.99Å; L675-I683 HydrophobicContact CD1-CD1 3.57Å; L675-M858 HydrophobicContact CD2-CB 4.33Å; L675-M858 HydrophobicContact CD2-CG 4.23Å; L675-M858 HydrophobicContact CD2-SD 3.86Å
676P79.2Confident77.7Confident64 Ų6458.6 Ų58.642%0.41631%0.311SS..  trans-53.7148.1173.6-24.233.3000112.1E678 E679 K680P676-E678 PolarHBondContact O-N 3.29Å; P676-E679 HydrophobicContact CB-CG 4.42Å; P676-E679 HydrophobicContact CG-CG 4.48Å; P676-E679 PolarHBondContact O-N 3.12Å; P676-K680 PolarHBondContact O-N 2.71Å
677Q75.7Confident79.3Confident148 Ų14854.9 Ų54.969%0.69229%0.293SS*.Hα-helixtrans-59.1-33.7-175.9-167.764.8700113.1K680 A681Q677-K680 PolarHBondContact O-N 2.97Å; Q677-A681 WeakPolarHBondContact O-CB 3.22Å; Q677-A681 PolarHBondContact O-N 3.16Å
678E77.7Confident80Confident133 Ų13359 Ų5962%0.62131%0.311SS*.Hα-helixtrans-63.9-39.3176.1-165.7-168.9145.900112.1P676 A681 K682P676-E678 PolarHBondContact O-N 3.29Å; E678-A681 PolarHBondContact O-N 3.13Å; E678-K682 WeakPolarHBondContact O-CG 3.43Å; E678-K682 PolarHBondContact O-N 3Å; E678-K682 WeakPolarHBondContact OE1-CE 3.3Å; E678-K682 IonicContact OE1-NZ 3.64Å; E678-K682 PolarHBondContact OE1-NZ 3.34Å
679E81.4Confident80.6Confident22 Ų2261 Ų6110%0.10332%0.319CS..Hα-helixtrans-74-40.2177.9-61-166.3165.800111.5L675 P676 A681 K682 I683 L859L675-E679 HydrophobicContact CB-CB 4.48Å; L675-E679 WeakPolarHBondContact CD2-OE2 3.49Å; P676-E679 HydrophobicContact CB-CG 4.42Å; P676-E679 HydrophobicContact CG-CG 4.48Å; P676-E679 PolarHBondContact O-N 3.12Å; E679-A681 PolarHBondContact O-N 3.46Å; E679-K682 PolarHBondContact O-N 3.01Å; E679-K682 VanDerWaalsContact O-N 3.16Å; E679-I683 WeakPolarHBondContact O-CG1 3.23Å; E679-I683 PolarHBondContact O-N 3.18Å; E679-L859 HydrophobicContact CB-CD1 4.21Å; E679-L859 HydrophobicContact CG-CD2 4.22Å
680K80.7Confident81.2Confident75 Ų7558.4 Ų58.433%0.32631%0.31SS..Hα-helixtrans-56.5-40.6171.4-73.2178.6172.1173.50111.8A673 L675 P676 Q677 I683 A684A673-K680 WeakPolarHBondContact O-CE 3.35Å; A673-K680 PolarHBondContact O-NZ 3.28Å; L675-K680 HydrophobicContact CB-CG 4.11Å; L675-K680 WeakPolarHBondContact O-CD 3.23Å; L675-K680 WeakPolarHBondContact O-CE 2.99Å; P676-K680 PolarHBondContact O-N 2.71Å; Q677-K680 PolarHBondContact O-N 2.97Å; K680-I683 PolarHBondContact O-N 3.14Å; K680-A684 VanDerWaalsContact O-CB 3.3Å; K680-A684 WeakPolarHBondContact O-CB 3.49Å; K680-A684 PolarHBondContact O-N 2.81Å
681A80.8Confident82.1Confident59 Ų5958.9 Ų58.949%0.48831%0.306SS..Hα-helixtrans-64-43.4176.300000112.1Q677 E678 E679 A684 E685Q677-A681 WeakPolarHBondContact O-CB 3.22Å; Q677-A681 PolarHBondContact O-N 3.16Å; E678-A681 PolarHBondContact O-N 3.13Å; E679-A681 PolarHBondContact O-N 3.46Å; A681-A684 PolarHBondContact O-N 3.2Å; A681-E685 PolarHBondContact O-N 2.87Å
682K84.4Confident82.7Confident85 Ų8562.1 Ų62.137%0.3732%0.321SS..Hα-helixtrans-64-40.4175.4-69.9172.3-171.5163.40112.3E678 E679 E685 Q686 L859E678-K682 WeakPolarHBondContact O-CG 3.43Å; E678-K682 PolarHBondContact O-N 3Å; E678-K682 WeakPolarHBondContact OE1-CE 3.3Å; E678-K682 IonicContact OE1-NZ 3.64Å; E678-K682 PolarHBondContact OE1-NZ 3.34Å; E679-K682 PolarHBondContact O-N 3.01Å; E679-K682 VanDerWaalsContact O-N 3.16Å; K682-E685 PolarHBondContact O-N 2.88Å; K682-Q686 PolarHBondContact O-N 3.16Å; K682-L859 HydrophobicContact CB-CD1 3.99Å; K682-L859 HydrophobicContact CD-CD2 3.78Å
683I84.8Confident83.1Confident2 Ų262.6 Ų62.61%0.0132%0.323CS..Hα-helixtrans-62.9-46.2173.6-70173.5000110.1M672 L675 E679 K680 E685 Q686 V687 R730 L859 A862 I866M672-I683 HydrophobicContact CE-CD1 4.06Å; L675-I683 HydrophobicContact CD1-CD1 3.57Å; E679-I683 WeakPolarHBondContact O-CG1 3.23Å; E679-I683 PolarHBondContact O-N 3.18Å; K680-I683 PolarHBondContact O-N 3.14Å; I683-E685 VanDerWaalsContact C-N 3.33Å; I683-E685 PolarHBondContact O-N 2.84Å; I683-Q686 PolarHBondContact O-N 3.41Å; I683-V687 HydrophobicContact CG2-CG2 4.07Å; I683-V687 WeakPolarHBondContact O-CB 3.37Å; I683-V687 WeakPolarHBondContact O-CG2 3.42Å; I683-V687 PolarHBondContact O-N 3.01Å; I683-R730 HydrophobicContact CG2-CG 3.8Å; I683-L859 HydrophobicContact CD1-CD1 4.31Å; I683-L859 HydrophobicContact CG1-CD1 3.78Å; I683-A862 HydrophobicContact CD1-CB 3.85Å; I683-A862 HydrophobicContact CG1-CB 4.15Å; I683-I866 HydrophobicContact CG2-CD1 3.98Å
684A83.8Confident83.7Confident50 Ų5062.2 Ų62.241%0.41331%0.314SS..Hα-helixtrans-60-41.117900000112.3K680 A681 V687 E688K680-A684 VanDerWaalsContact O-CB 3.3Å; K680-A684 WeakPolarHBondContact O-CB 3.49Å; K680-A684 PolarHBondContact O-N 2.81Å; A681-A684 PolarHBondContact O-N 3.2Å; A684-V687 PolarHBondContact O-N 2.88Å; A684-E688 PolarHBondContact O-N 3.27Å
685E86.5Confident84.2Confident125 Ų12558.9 Ų58.958%0.58430%0.304SS*.Hα-helixtrans-61-44.6174.6-172.5-176.8-173.200111.9A681 K682 I683 V687 E688 I689A681-E685 PolarHBondContact O-N 2.87Å; K682-E685 PolarHBondContact O-N 2.88Å; I683-E685 VanDerWaalsContact C-N 3.33Å; I683-E685 PolarHBondContact O-N 2.84Å; E685-V687 VanDerWaalsContact C-N 3.34Å; E685-V687 PolarHBondContact O-N 2.9Å; E685-E688 PolarHBondContact O-N 3.49Å; E685-I689 WeakPolarHBondContact O-CG1 3.46Å; E685-I689 PolarHBondContact O-N 3.42Å
686Q87.5Confident84.7Confident47 Ų4762.8 Ų62.822%0.2232%0.32CS..Hα-helixtrans-65.4-38.5176.2-70-57.4-48.800112.5K682 I683 E688 I689 F690 T863 I866K682-Q686 PolarHBondContact O-N 3.16Å; I683-Q686 PolarHBondContact O-N 3.41Å; Q686-E688 VanDerWaalsContact C-N 3.31Å; Q686-I689 PolarHBondContact O-N 3.21Å; Q686-F690 PolarHBondContact O-N 2.8Å; Q686-T863 HydrophobicContact CG-CG2 4.13Å; Q686-I866 HydrophobicContact CB-CB 4.38Å; Q686-I866 HydrophobicContact CB-CD1 4.07Å; Q686-I866 HydrophobicContact CB-CG2 3.9Å; Q686-I866 WeakPolarHBondContact O-CG2 3.39Å
687V87.4Confident85.2Confident2 Ų259.8 Ų59.81%0.01230%0.3CS..Hα-helixtrans-64-38.1176.6171.60000110.8I683 A684 E685 F690 H691 T726 R730 I866I683-V687 HydrophobicContact CG2-CG2 4.07Å; I683-V687 WeakPolarHBondContact O-CB 3.37Å; I683-V687 WeakPolarHBondContact O-CG2 3.42Å; I683-V687 PolarHBondContact O-N 3.01Å; A684-V687 PolarHBondContact O-N 2.88Å; E685-V687 VanDerWaalsContact C-N 3.34Å; E685-V687 PolarHBondContact O-N 2.9Å; V687-F690 CarbonylContact O-C 3.4Å; V687-F690 WeakPolarHBondContact O-CA 3.49Å; V687-F690 WeakPolarHBondContact O-CB 3.34Å; V687-F690 PolarHBondContact O-N 3.48Å; V687-F690 VanDerWaalsContact O-N 3.17Å; V687-H691 WeakPolarHBondContact CG1-CE1 3.45Å; V687-H691 PolarHBondContact O-N 3.28Å; V687-H691 PolarHBondContact O-ND1 2.69Å; V687-H691 VanDerWaalsContact O-ND1 3.13Å; V687-T726 HydrophobicContact CB-CG2 4.18Å; V687-T726 HydrophobicContact CG1-CG2 3.89Å; V687-T726 HydrophobicContact CG2-CG2 3.63Å; V687-R730 HydrophobicContact CG2-CG 4.13Å; V687-I866 HydrophobicContact CG2-CD1 3.83Å; V687-I866 HydrophobicContact CG2-CG1 4.43Å
688E86.4Confident85.5Confident105 Ų10554 Ų5449%0.49127%0.274SS..Hα-helixtrans-63.2-43.4176.1-175.251.8-144.300111.8A684 E685 Q686 F690 H691 Q692A684-E688 PolarHBondContact O-N 3.27Å; E685-E688 PolarHBondContact O-N 3.49Å; Q686-E688 VanDerWaalsContact C-N 3.31Å; E688-F690 VanDerWaalsContact C-N 3.27Å; E688-F690 PolarHBondContact O-N 3.42Å; E688-H691 PolarHBondContact O-N 3.19Å; E688-Q692 WeakPolarHBondContact O-CG 3.35Å; E688-Q692 PolarHBondContact O-N 3.41Å
689I87.3Confident85.6Confident53 Ų5349.6 Ų49.627%0.27226%0.26SS..Hα-helixtrans-63.6-36.3174.5-57.3166.8000110.8E685 Q686 Q692 E693 K870E685-I689 WeakPolarHBondContact O-CG1 3.46Å; E685-I689 PolarHBondContact O-N 3.42Å; Q686-I689 PolarHBondContact O-N 3.21Å; I689-Q692 PolarHBondContact O-N 3.14Å; I689-E693 PolarHBondContact O-N 2.7Å; I689-K870 HydrophobicContact CG2-CD 3.61Å
690F90.5Very high85.8Confident0 Ų049 Ų490%026%0.257CS..Hα-helixtrans-64.3-43.3173.1169.5-97.1000112.1Q686 V687 E688 Q692 E693 K694 M722 M723 T726 I866 A869 K870 M873Q686-F690 PolarHBondContact O-N 2.8Å; V687-F690 CarbonylContact O-C 3.4Å; V687-F690 WeakPolarHBondContact O-CA 3.49Å; V687-F690 WeakPolarHBondContact O-CB 3.34Å; V687-F690 PolarHBondContact O-N 3.48Å; V687-F690 VanDerWaalsContact O-N 3.17Å; E688-F690 VanDerWaalsContact C-N 3.27Å; E688-F690 PolarHBondContact O-N 3.42Å; F690-Q692 VanDerWaalsContact C-N 3.28Å; F690-Q692 PolarHBondContact O-N 3.02Å; F690-E693 PolarHBondContact O-N 3.24Å; F690-E693 VanDerWaalsContact O-N 3.09Å; F690-K694 PolarHBondContact O-N 3.48Å; F690-M722 HydrophobicContact CE2-CB 4.09Å; F690-M722 HydrophobicContact CZ-CB 3.83Å; F690-M723 HydrophobicContact CD1-SD 4.45Å; F690-M723 HydrophobicContact CE1-CG 4.35Å; F690-M723 HydrophobicContact CE1-SD 3.52Å; F690-M723 VanDerWaalsContact CE1-SD 3.52Å; F690-M723 HydrophobicContact CZ-SD 4.25Å; F690-T726 HydrophobicContact CD1-CG2 3.8Å; F690-T726 HydrophobicContact CE1-CG2 4.12Å; F690-T726 HydrophobicContact CG-CG2 4.35Å; F690-I866 HydrophobicContact CB-CG2 3.97Å; F690-A869 HydrophobicContact CD2-CB 4.22Å; F690-A869 HydrophobicContact CE2-CB 3.86Å; F690-K870 HydrophobicContact CD2-CB 4.12Å; F690-M873 HydrophobicContact CE1-CE 4.45Å; F690-M873 HydrophobicContact CE2-CB 4.38Å; F690-M873 HydrophobicContact CE2-CE 3.61Å; F690-M873 HydrophobicContact CZ-CE 3.45Å; F690-M873 VanDerWaalsContact CZ-CE 3.45Å
691H88.4Confident86.1Confident41 Ų4146 Ų4619%0.1925%0.246CC..Hα-helixtrans-60.2-36.5175.4-71.4128.5000112.4V687 E688 E693 K694 S695V687-H691 WeakPolarHBondContact CG1-CE1 3.45Å; V687-H691 PolarHBondContact O-N 3.28Å; V687-H691 PolarHBondContact O-ND1 2.69Å; V687-H691 VanDerWaalsContact O-ND1 3.13Å; E688-H691 PolarHBondContact O-N 3.19Å; H691-E693 VanDerWaalsContact C-N 3.3Å; H691-E693 PolarHBondContact O-N 2.92Å; H691-K694 WeakPolarHBondContact O-CB 3.49Å; H691-K694 PolarHBondContact O-N 3.43Å; H691-K694 VanDerWaalsContact O-N 3.14Å; H691-S695 PolarHBondContact O-N 3.41Å; H691-S695 PolarHBondContact O-OG 3.17Å; H691-S695 VanDerWaalsContact O-OG 3.1Å
692Q85.8Confident86Confident103 Ų10345 Ų4548%0.48124%0.237SC..Hα-helixtrans-60.6-37.5174.1-67.3171.717.600112.9E688 I689 F690 K696E688-Q692 WeakPolarHBondContact O-CG 3.35Å; E688-Q692 PolarHBondContact O-N 3.41Å; I689-Q692 PolarHBondContact O-N 3.14Å; F690-Q692 VanDerWaalsContact C-N 3.28Å; F690-Q692 PolarHBondContact O-N 3.02Å; Q692-K696 WeakPolarHBondContact O-CG 3.29Å; Q692-K696 PolarHBondContact O-N 2.87Å
693E87.6Confident85.8Confident24 Ų2445.6 Ų45.611%0.11224%0.24CC..Hα-helixtrans-73.4-37172.9-73.5-60.1139.400112.2I689 F690 H691 S695 K696 L697 K870 M873 N874I689-E693 PolarHBondContact O-N 2.7Å; F690-E693 PolarHBondContact O-N 3.24Å; F690-E693 VanDerWaalsContact O-N 3.09Å; H691-E693 VanDerWaalsContact C-N 3.3Å; H691-E693 PolarHBondContact O-N 2.92Å; E693-S695 PolarHBondContact O-N 3.49Å; E693-K696 WeakPolarHBondContact O-CB 3.38Å; E693-K696 PolarHBondContact O-N 3.46Å; E693-K696 IonicContact OE1-NZ 3.24Å; E693-K696 PolarHBondContact OE1-NZ 3.21Å; E693-K696 IonicContact OE2-NZ 2.81Å; E693-L697 PolarHBondContact O-N 3.01Å; E693-K870 HydrophobicContact CB-CG 4.28Å; E693-K870 HydrophobicContact CG-CD 4.34Å; E693-K870 HydrophobicContact CG-CG 3.73Å; E693-M873 HydrophobicContact CB-CB 4.31Å; E693-M873 HydrophobicContact CB-CG 4.02Å; E693-N874 WeakPolarHBondContact OE2-CB 3.39Å; E693-N874 PolarHBondContact OE2-ND2 2.81Å
694K89.3Confident85.8Confident32 Ų3246.4 Ų46.414%0.13924%0.243CC..Hα-helixtrans-58.3-46.1173.2-171.4-137.4-179.5-127.10111.1F690 H691 K696 L697 D698 M723 M873F690-K694 PolarHBondContact O-N 3.48Å; H691-K694 WeakPolarHBondContact O-CB 3.49Å; H691-K694 PolarHBondContact O-N 3.43Å; H691-K694 VanDerWaalsContact O-N 3.14Å; K694-K696 PolarHBondContact O-N 2.8Å; K694-L697 CarbonylContact O-C 3.49Å; K694-L697 WeakPolarHBondContact O-CA 2.93Å; K694-L697 WeakPolarHBondContact O-CB 3.44Å; K694-L697 PolarHBondContact O-N 2.99Å; K694-D698 WeakPolarHBondContact CE-OD2 3.3Å; K694-D698 IonicContact NZ-OD2 3.92Å; K694-D698 PolarHBondContact NZ-OD2 3.13Å; K694-D698 PolarHBondContact O-N 3.2Å; K694-M723 HydrophobicContact CD-SD 3.59Å; K694-M723 VanDerWaalsContact CD-SD 3.59Å; K694-M723 HydrophobicContact CG-SD 4.07Å; K694-M873 HydrophobicContact CB-CE 4.23Å; K694-M873 HydrophobicContact CG-CE 4.25Å
695S84.8Confident85.5Confident50 Ų5045.7 Ų45.735%0.3523%0.232SC..Hα-helixtrans-59-33.8176.7-61.30000112.7H691 E693 L697 A699H691-S695 PolarHBondContact O-N 3.41Å; H691-S695 PolarHBondContact O-OG 3.17Å; H691-S695 VanDerWaalsContact O-OG 3.1Å; E693-S695 PolarHBondContact O-N 3.49Å; S695-L697 VanDerWaalsContact C-N 3.33Å; S695-A699 VanDerWaalsContact O-CB 3.28Å; S695-A699 WeakPolarHBondContact O-CB 3.42Å; S695-A699 PolarHBondContact O-N 2.85Å
696K88.5Confident85.2Confident99 Ų9942.3 Ų42.343%0.4322%0.218SC..Hα-helixtrans-67.8-33.6173.6-66171.3-168.9172.80112.4Q692 E693 K694 E700 V877Q692-K696 WeakPolarHBondContact O-CG 3.29Å; Q692-K696 PolarHBondContact O-N 2.87Å; E693-K696 WeakPolarHBondContact O-CB 3.38Å; E693-K696 PolarHBondContact O-N 3.46Å; E693-K696 IonicContact OE1-NZ 3.24Å; E693-K696 PolarHBondContact OE1-NZ 3.21Å; E693-K696 IonicContact OE2-NZ 2.81Å; K694-K696 PolarHBondContact O-N 2.8Å; K696-E700 WeakPolarHBondContact O-CB 3.46Å; K696-E700 PolarHBondContact O-N 2.91Å; K696-V877 HydrophobicContact CB-CG1 4.39Å; K696-V877 HydrophobicContact CB-CG2 4.35Å
697L89.1Confident84.6Confident1 Ų142.5 Ų42.51%0.00522%0.224CC..Hα-helixtrans-72.7-47.6174.3-17560.2000111.2E693 K694 S695 A699 E700 V701 A715 C719 M873 V876 V877E693-L697 PolarHBondContact O-N 3.01Å; K694-L697 CarbonylContact O-C 3.49Å; K694-L697 WeakPolarHBondContact O-CA 2.93Å; K694-L697 WeakPolarHBondContact O-CB 3.44Å; K694-L697 PolarHBondContact O-N 2.99Å; S695-L697 VanDerWaalsContact C-N 3.33Å; L697-A699 VanDerWaalsContact C-N 3.33Å; L697-A699 PolarHBondContact O-N 3.05Å; L697-E700 CarbonylContact O-C 3.59Å; L697-E700 WeakPolarHBondContact O-CA 3.44Å; L697-E700 WeakPolarHBondContact O-CB 2.78Å; L697-E700 PolarHBondContact O-N 2.96Å; L697-V701 HydrophobicContact CD1-CG2 3.79Å; L697-V701 HydrophobicContact CG-CG2 4.01Å; L697-V701 WeakPolarHBondContact O-CB 3.25Å; L697-V701 WeakPolarHBondContact O-CG2 3.48Å; L697-V701 PolarHBondContact O-N 2.82Å; L697-A715 HydrophobicContact CD1-CB 4.32Å; L697-C719 HydrophobicContact CD2-CB 3.64Å; L697-M873 HydrophobicContact CB-SD 4.09Å; L697-M873 HydrophobicContact CD2-SD 3.38Å; L697-M873 WeakPolarHBondContact CD2-SD 3.48Å; L697-M873 HydrophobicContact CG-SD 4.38Å; L697-V876 HydrophobicContact CD1-CG1 3.98Å; L697-V876 HydrophobicContact CD2-CG1 4.14Å; L697-V877 HydrophobicContact CB-CG2 3.55Å; L697-V877 HydrophobicContact CD1-CG2 3.85Å; L697-V877 HydrophobicContact CG-CG2 4.26Å
698D82.7Confident84.2Confident27 Ų2744.7 Ų44.714%0.14425%0.248CC..Hα-helixtrans-57-48.4179.3-68.8-15.4000110.6T632 K694 E700 V701 A702T632-D698 HydrophobicContact CG2-CB 4.25Å; K694-D698 WeakPolarHBondContact CE-OD2 3.3Å; K694-D698 IonicContact NZ-OD2 3.92Å; K694-D698 PolarHBondContact NZ-OD2 3.13Å; K694-D698 PolarHBondContact O-N 3.2Å; D698-E700 PolarHBondContact O-N 3.18Å; D698-V701 PolarHBondContact O-N 3.43Å; D698-A702 WeakPolarHBondContact O-CB 3.24Å; D698-A702 PolarHBondContact O-N 3.5Å
699A80.3Confident84.3Confident39 Ų3939.7 Ų39.732%0.32222%0.224SC..Hα-helixtrans-61.5-30175.700000113.2S695 L697 K703S695-A699 VanDerWaalsContact O-CB 3.28Å; S695-A699 WeakPolarHBondContact O-CB 3.42Å; S695-A699 PolarHBondContact O-N 2.85Å; L697-A699 VanDerWaalsContact C-N 3.33Å; L697-A699 PolarHBondContact O-N 3.05Å; A699-K703 WeakPolarHBondContact O-CE 3.33Å; A699-K703 WeakPolarHBondContact O-CG 3.46Å
700E86.1Confident84.5Confident10 Ų1041.4 Ų41.45%0.04723%0.234CC..Hα-helixtrans-78.6-46.9176.5-170.360.5-150.500111.5K696 L697 D698 A702 K703 W704 V880 K881K696-E700 WeakPolarHBondContact O-CB 3.46Å; K696-E700 PolarHBondContact O-N 2.91Å; L697-E700 CarbonylContact O-C 3.59Å; L697-E700 WeakPolarHBondContact O-CA 3.44Å; L697-E700 WeakPolarHBondContact O-CB 2.78Å; L697-E700 PolarHBondContact O-N 2.96Å; D698-E700 PolarHBondContact O-N 3.18Å; E700-A702 VanDerWaalsContact C-N 3.34Å; E700-A702 PolarHBondContact O-N 2.99Å; E700-K703 WeakPolarHBondContact O-CB 3.39Å; E700-K703 PolarHBondContact O-N 3.27Å; E700-K703 IonicContact OE2-NZ 2.78Å; E700-K703 PolarHBondContact OE2-NZ 3.27Å; E700-W704 PolarHBondContact O-NE1 3.14Å; E700-W704 PolarHBondContact OE1-NE1 3.08Å; E700-V880 HydrophobicContact CG-CB 4.42Å; E700-V880 HydrophobicContact CG-CG1 3.73Å; E700-K881 VanDerWaalsContact CD-CG 3.49Å; E700-K881 HydrophobicContact CG-CG 3.88Å; E700-K881 WeakPolarHBondContact OE2-CE 3.34Å
701V85.7Confident84.6Confident13 Ų1341.4 Ų41.48%0.07923%0.234CC..Hα-helixtrans-64.6-37.4-179.7165.50000111.6L697 D698 K703 W704 I712 A715 K716L697-V701 HydrophobicContact CD1-CG2 3.79Å; L697-V701 HydrophobicContact CG-CG2 4.01Å; L697-V701 WeakPolarHBondContact O-CB 3.25Å; L697-V701 WeakPolarHBondContact O-CG2 3.48Å; L697-V701 PolarHBondContact O-N 2.82Å; D698-V701 PolarHBondContact O-N 3.43Å; V701-K703 PolarHBondContact O-N 3.3Å; V701-K703 VanDerWaalsContact O-N 3.14Å; V701-W704 PolarHBondContact O-N 2.93Å; V701-I712 HydrophobicContact CG1-CG2 3.87Å; V701-I712 HydrophobicContact CG2-CG2 4.43Å; V701-A715 HydrophobicContact CG2-CB 4.47Å; V701-K716 HydrophobicContact CG1-CD 3.98Å; V701-K716 HydrophobicContact CG1-CG 3.67Å
702A79.8Confident84.8Confident37 Ų3739.5 Ų39.531%0.30623%0.225SC..THydrogen-bonded Turntrans-60.8-22.8178.800000113.7T632 D698 E700 W704T632-A702 HydrophobicContact CG2-CB 4.18Å; D698-A702 WeakPolarHBondContact O-CB 3.24Å; D698-A702 PolarHBondContact O-N 3.5Å; E700-A702 VanDerWaalsContact C-N 3.34Å; E700-A702 PolarHBondContact O-N 2.99Å; A702-W704 VanDerWaalsContact C-N 3.31Å
703K80.7Confident84.9Confident98 Ų9837.6 Ų37.643%0.42622%0.22SC..THydrogen-bonded Turntrans-72.4-26.4177.4-62.4165.6-173.4166.70112.6A699 E700 V701 M908 K909A699-K703 WeakPolarHBondContact O-CE 3.33Å; A699-K703 WeakPolarHBondContact O-CG 3.46Å; E700-K703 WeakPolarHBondContact O-CB 3.39Å; E700-K703 PolarHBondContact O-N 3.27Å; E700-K703 IonicContact OE2-NZ 2.78Å; E700-K703 PolarHBondContact OE2-NZ 3.27Å; V701-K703 PolarHBondContact O-N 3.3Å; V701-K703 VanDerWaalsContact O-N 3.14Å; K703-M908 VanDerWaalsContact O-CA 3.3Å; K703-M908 WeakPolarHBondContact O-CA 3.32Å; K703-K909 PolarHBondContact O-N 3.29Å
704W83.6Confident85.1Confident19 Ų1937 Ų377%0.07222%0.218CC..EExtended strand (participates in β ladder)trans-108.2134.3-165.2-54.8113.3000111E700 V701 A702 I712 Y884 W906 M908E700-W704 PolarHBondContact O-NE1 3.14Å; E700-W704 PolarHBondContact OE1-NE1 3.08Å; V701-W704 PolarHBondContact O-N 2.93Å; A702-W704 VanDerWaalsContact C-N 3.31Å; W704-I712 HydrophobicContact CB-CD1 4Å; W704-I712 HydrophobicContact CB-CG1 4.02Å; W704-I712 HydrophobicContact CG-CD1 4.02Å; W704-I712 HydrophobicContact CG-CG1 4.48Å; W704-Y884 AromaticContact CH2-CD1 3.8Å; W704-Y884 HydrophobicContact CH2-CD1 3.8Å; W704-Y884 AromaticContact CH2-CD2 3.28Å; W704-Y884 HydrophobicContact CH2-CD2 3.28Å; W704-Y884 AromaticContact CH2-CE1 3.7Å; W704-Y884 HydrophobicContact CH2-CE1 3.7Å; W704-Y884 AromaticContact CH2-CE2 3.18Å; W704-Y884 HydrophobicContact CH2-CE2 3.18Å; W704-Y884 AromaticContact CH2-CG 3.59Å; W704-Y884 HydrophobicContact CH2-CG 3.59Å; W704-Y884 AromaticContact CH2-CZ 3.39Å; W704-Y884 AromaticContact CZ2-CD1 3.78Å; W704-Y884 HydrophobicContact CZ2-CD1 3.78Å; W704-Y884 AromaticContact CZ2-CD2 3.78Å; W704-Y884 HydrophobicContact CZ2-CD2 3.78Å; W704-Y884 HydrophobicContact CZ2-CE1 4.07Å; W704-Y884 HydrophobicContact CZ2-CE2 4.09Å; W704-Y884 AromaticContact CZ2-CG 3.61Å; W704-Y884 HydrophobicContact CZ2-CG 3.61Å; W704-Y884 AromaticContact CZ3-CD2 3.75Å; W704-Y884 HydrophobicContact CZ3-CD2 3.75Å; W704-Y884 AromaticContact CZ3-CE2 3.6Å; W704-Y884 HydrophobicContact CZ3-CE2 3.6Å; W704-Y884 HydrophobicContact CZ3-CG 4.44Å; W704-W906 AromaticContact CD2-CE3 3.64Å; W704-W906 HydrophobicContact CD2-CE3 3.64Å; W704-W906 AromaticContact CD2-CZ3 3.87Å; W704-W906 HydrophobicContact CD2-CZ3 3.87Å; W704-W906 AromaticContact CE2-CE3 3.93Å; W704-W906 AromaticContact CE2-CZ3 3.9Å; W704-W906 AromaticContact CE3-CE3 3.74Å; W704-W906 HydrophobicContact CE3-CE3 3.74Å; W704-W906 HydrophobicContact CE3-CZ3 4.43Å; W704-W906 HydrophobicContact CG-CE3 4.12Å; W704-W906 AromaticContact CG-CZ3 4Å; W704-W906 HydrophobicContact CG-CZ3 4Å; W704-W906 HydrophobicContact CH2-CE3 4.46Å; W704-W906 HydrophobicContact CZ2-CE3 4.34Å; W704-W906 HydrophobicContact CZ3-CB 4.46Å; W704-W906 HydrophobicContact CZ3-CE3 4.15Å; W704-W906 AromaticContact NE1-CZ3 3.97Å; W704-M908 HydrophobicContact CZ3-CG 4.42Å
705D78.2Confident85.2Confident35 Ų3535.5 Ų35.519%0.18721%0.211CC..EExtended strand (participates in β ladder)trans-71126.7160.7172.123.7000107.7S707 K907D705-S707 VanDerWaalsContact C-N 3.32Å; D705-S707 WeakPolarHBondContact OD1-CB 3.39Å; D705-S707 PolarHBondContact OD1-N 2.92Å; D705-S707 PolarHBondContact OD1-OG 3.23Å; D705-K907 HydrophobicContact CB-CB 3.93Å; D705-K907 PolarHBondContact N-O 3.31Å
706D80.6Confident85.4Confident53 Ų5336.8 Ų36.828%0.28321%0.211SC..  trans-83.4-8.717948-8.2000113.1G708 N709 I712 V713 K716D706-G708 PolarHBondContact O-N 3.09Å; D706-N709 PolarHBondContact O-N 3.36Å; D706-I712 HydrophobicContact CB-CB 4.27Å; D706-I712 HydrophobicContact CB-CG2 3.92Å; D706-V713 HydrophobicContact CB-CG2 4.04Å; D706-K716 IonicContact OD2-NZ 3.52Å; D706-K716 PolarHBondContact OD2-NZ 3.05Å
707S74.3Confident85.4Confident51 Ų5134.4 Ų34.436%0.35720%0.201SC..THydrogen-bonded Turntrans-61.194175.9-51.10000111.6D705 S905D705-S707 VanDerWaalsContact C-N 3.32Å; D705-S707 WeakPolarHBondContact OD1-CB 3.39Å; D705-S707 PolarHBondContact OD1-N 2.92Å; D705-S707 PolarHBondContact OD1-OG 3.23Å; S707-S905 PolarHBondContact O-OG 3.16Å; S707-S905 VanDerWaalsContact O-OG 3.08Å
708G77.8Confident85.5Confident49 Ų4934.4 Ų34.451%0.50520%0.201SC..THydrogen-bonded Turntrans89.616.3-176.200000115D706 S905D706-G708 PolarHBondContact O-N 3.09Å; G708-S905 PolarHBondContact O-N 3.1Å; G708-S905 PolarHBondContact O-OG 3.3Å
709N89.5Confident86Confident0 Ų033.5 Ų33.50%020%0.197CC..  trans-123.977.2174.8-162.3-18.3000111.7D706 I711 I712 V713 S905 W906D706-N709 PolarHBondContact O-N 3.36Å; N709-I711 PolarHBondContact O-N 3.45Å; N709-I711 WeakPolarHBondContact OD1-CB 3.33Å; N709-I711 PolarHBondContact OD1-N 2.64Å; N709-I712 HydrophobicContact CB-CB 4.4Å; N709-I712 HydrophobicContact CB-CG1 4.08Å; N709-I712 WeakPolarHBondContact ND2-CG1 3.46Å; N709-I712 WeakPolarHBondContact O-CB 3.39Å; N709-I712 PolarHBondContact O-N 3.44Å; N709-V713 PolarHBondContact O-N 2.94Å; N709-S905 WeakPolarHBondContact CB-O 3.41Å; N709-W906 VanDerWaalsContact ND2-CE3 3.26Å; N709-W906 WeakPolarHBondContact ND2-CZ3 3.46Å
710D90.6Very high86.2Confident89 Ų8933.7 Ų33.748%0.47619%0.192SC..Hα-helixtrans-57.9-21.8179.7-69.9-22.9000113.5I712 V713 L714 L758D710-I712 VanDerWaalsContact C-N 3.32Å; D710-V713 PolarHBondContact O-N 3.07Å; D710-L714 VanDerWaalsContact O-CB 3.3Å; D710-L714 WeakPolarHBondContact O-CB 3.15Å; D710-L714 WeakPolarHBondContact O-CD1 3.27Å; D710-L714 WeakPolarHBondContact O-CG 3.46Å; D710-L714 PolarHBondContact O-N 3.42Å; D710-L758 HydrophobicContact CB-CD1 3.42Å; D710-L758 VanDerWaalsContact CB-CD1 3.42Å
711I93.6Very high86.3Confident0 Ų033.5 Ų33.50%019%0.191CC..Hα-helixtrans-63.8-40.8172.9-64.2173.5000110.3N709 A715 M755 L758 A759 V762 V880 V904N709-I711 PolarHBondContact O-N 3.45Å; N709-I711 WeakPolarHBondContact OD1-CB 3.33Å; N709-I711 PolarHBondContact OD1-N 2.64Å; I711-A715 VanDerWaalsContact O-CB 3.31Å; I711-A715 WeakPolarHBondContact O-CB 3.27Å; I711-A715 PolarHBondContact O-N 3.46Å; I711-M755 HydrophobicContact CG2-CG 4.44Å; I711-L758 HydrophobicContact CD1-CB 4.26Å; I711-L758 HydrophobicContact CG1-CB 3.88Å; I711-L758 HydrophobicContact CG1-CD1 4.31Å; I711-A759 HydrophobicContact CD1-CB 4.22Å; I711-V762 HydrophobicContact CD1-CG2 4.31Å; I711-V880 HydrophobicContact CG2-CG2 4.17Å; I711-V904 HydrophobicContact CD1-CG1 4.12Å; I711-V904 HydrophobicContact CD1-CG2 4.07Å; I711-V904 HydrophobicContact CG1-CG1 4.1Å
712I91.7Very high86.6Confident0 Ų032.9 Ų32.90%019%0.187CC..Hα-helixtrans-69.4-43.3176.9-60.4-63.2000110.7V701 W704 D706 N709 D710 L714 A715 K716 V880 W906V701-I712 HydrophobicContact CG1-CG2 3.87Å; V701-I712 HydrophobicContact CG2-CG2 4.43Å; W704-I712 HydrophobicContact CB-CD1 4Å; W704-I712 HydrophobicContact CB-CG1 4.02Å; W704-I712 HydrophobicContact CG-CD1 4.02Å; W704-I712 HydrophobicContact CG-CG1 4.48Å; D706-I712 HydrophobicContact CB-CB 4.27Å; D706-I712 HydrophobicContact CB-CG2 3.92Å; N709-I712 HydrophobicContact CB-CB 4.4Å; N709-I712 HydrophobicContact CB-CG1 4.08Å; N709-I712 WeakPolarHBondContact ND2-CG1 3.46Å; N709-I712 WeakPolarHBondContact O-CB 3.39Å; N709-I712 PolarHBondContact O-N 3.44Å; D710-I712 VanDerWaalsContact C-N 3.32Å; I712-L714 VanDerWaalsContact C-N 3.34Å; I712-L714 PolarHBondContact O-N 2.86Å; I712-A715 PolarHBondContact O-N 3.16Å; I712-K716 WeakPolarHBondContact O-CG 3.11Å; I712-K716 PolarHBondContact O-N 3.39Å; I712-V880 HydrophobicContact CD1-CG1 3.52Å; I712-V880 HydrophobicContact CD1-CG2 4.36Å; I712-W906 HydrophobicContact CD1-CH2 4.34Å; I712-W906 HydrophobicContact CD1-CZ3 4.03Å; I712-W906 HydrophobicContact CG1-CZ3 4.39Å
713V88Confident87Confident64 Ų6432.9 Ų32.939%0.38818%0.181SC..Hα-helixtrans-58.5-47176.4179.40000110.9D706 N709 D710 K716 Q717D706-V713 HydrophobicContact CB-CG2 4.04Å; N709-V713 PolarHBondContact O-N 2.94Å; D710-V713 PolarHBondContact O-N 3.07Å; V713-K716 PolarHBondContact O-N 3.11Å; V713-Q717 WeakPolarHBondContact O-CB 3.37Å; V713-Q717 PolarHBondContact O-N 3.33Å
714L92.1Very high87.3Confident11 Ų1129.6 Ų29.66%0.05817%0.167CC..Hα-helixtrans-66.6-37177.5-69.2166.7000112.1D710 I712 Q717 M718 A751 R754 M755 L758D710-L714 VanDerWaalsContact O-CB 3.3Å; D710-L714 WeakPolarHBondContact O-CB 3.15Å; D710-L714 WeakPolarHBondContact O-CD1 3.27Å; D710-L714 WeakPolarHBondContact O-CG 3.46Å; D710-L714 PolarHBondContact O-N 3.42Å; I712-L714 VanDerWaalsContact C-N 3.34Å; I712-L714 PolarHBondContact O-N 2.86Å; L714-Q717 PolarHBondContact O-N 2.98Å; L714-M718 WeakPolarHBondContact O-CB 3.3Å; L714-M718 VanDerWaalsContact O-CG 3.25Å; L714-M718 WeakPolarHBondContact O-CG 3.09Å; L714-M718 PolarHBondContact O-N 3.17Å; L714-A751 HydrophobicContact CD2-CB 4.04Å; L714-R754 HydrophobicContact CD1-CB 3.7Å; L714-R754 HydrophobicContact CD2-CB 4.03Å; L714-M755 HydrophobicContact CB-CB 4.42Å; L714-M755 HydrophobicContact CB-CE 3.8Å; L714-M755 HydrophobicContact CD1-CB 4.05Å; L714-L758 HydrophobicContact CD1-CD1 3.81Å
715A92.5Very high87.5Confident0 Ų028.7 Ų28.70%016%0.164CC..Hα-helixtrans-62.7-45.3175.700000111.6L697 V701 I711 I712 M718 C719 M755 V876 V880L697-A715 HydrophobicContact CD1-CB 4.32Å; V701-A715 HydrophobicContact CG2-CB 4.47Å; I711-A715 VanDerWaalsContact O-CB 3.31Å; I711-A715 WeakPolarHBondContact O-CB 3.27Å; I711-A715 PolarHBondContact O-N 3.46Å; I712-A715 PolarHBondContact O-N 3.16Å; A715-M718 PolarHBondContact O-N 3.2Å; A715-C719 VanDerWaalsContact O-CB 3.31Å; A715-C719 WeakPolarHBondContact O-CB 3.47Å; A715-C719 PolarHBondContact O-N 2.85Å; A715-M755 HydrophobicContact CB-CE 3.86Å; A715-V876 HydrophobicContact CB-CG1 3.59Å; A715-V880 HydrophobicContact CB-CG2 3.9Å
716K87.5Confident88Confident78 Ų7827.1 Ų27.134%0.33916%0.156SC..Hα-helixtrans-59.1-45.8172.9-71.4178.9-180-177.60111.3V701 D706 I712 V713 C719 M720V701-K716 HydrophobicContact CG1-CD 3.98Å; V701-K716 HydrophobicContact CG1-CG 3.67Å; D706-K716 IonicContact OD2-NZ 3.52Å; D706-K716 PolarHBondContact OD2-NZ 3.05Å; I712-K716 WeakPolarHBondContact O-CG 3.11Å; I712-K716 PolarHBondContact O-N 3.39Å; V713-K716 PolarHBondContact O-N 3.11Å; K716-C719 WeakPolarHBondContact O-CB 3.39Å; K716-C719 PolarHBondContact O-N 2.92Å; K716-M720 WeakPolarHBondContact O-CB 3.26Å; K716-M720 PolarHBondContact O-N 2.98Å
717Q88.5Confident88.2Confident49 Ų4926.2 Ų26.223%0.22915%0.151CC..Hα-helixtrans-60.8-48178.5-174-177.113.700112.1V713 L714 M720 I721V713-Q717 WeakPolarHBondContact O-CB 3.37Å; V713-Q717 PolarHBondContact O-N 3.33Å; L714-Q717 PolarHBondContact O-N 2.98Å; Q717-M720 PolarHBondContact O-N 3.23Å; Q717-I721 HydrophobicContact CG-CD1 4.08Å; Q717-I721 WeakPolarHBondContact O-CG1 3.37Å; Q717-I721 PolarHBondContact O-N 2.97Å; Q717-I721 VanDerWaalsContact O-N 3.15Å
718M92.8Very high88.8Confident0 Ų024.7 Ų24.70%014%0.137CC..Hα-helixtrans-63.8-41.8178.4-69.617473.600111.3L714 A715 M720 I721 M722 I748 A751 M755 I782 L872 V876L714-M718 WeakPolarHBondContact O-CB 3.3Å; L714-M718 VanDerWaalsContact O-CG 3.25Å; L714-M718 WeakPolarHBondContact O-CG 3.09Å; L714-M718 PolarHBondContact O-N 3.17Å; A715-M718 PolarHBondContact O-N 3.2Å; M718-M720 PolarHBondContact O-N 3.49Å; M718-I721 PolarHBondContact O-N 3.43Å; M718-M722 HydrophobicContact CB-CE 4.14Å; M718-M722 WeakPolarHBondContact O-CB 3.18Å; M718-M722 WeakPolarHBondContact O-CE 3.24Å; M718-M722 VanDerWaalsContact O-CG 3.32Å; M718-M722 WeakPolarHBondContact O-CG 3.4Å; M718-M722 PolarHBondContact O-N 2.76Å; M718-I748 HydrophobicContact CE-CG2 4.06Å; M718-A751 HydrophobicContact CG-CB 3.62Å; M718-A751 HydrophobicContact SD-CB 4.22Å; M718-M755 HydrophobicContact SD-CE 3.77Å; M718-M755 HydrophobicContact SD-SD 4.32Å; M718-I782 HydrophobicContact CE-CG2 4.39Å; M718-L872 HydrophobicContact CE-CD1 3.85Å; M718-L872 HydrophobicContact CE-CD2 4Å; M718-L872 HydrophobicContact CE-CG 4.09Å; M718-V876 HydrophobicContact CE-CG2 3.69Å; M718-V876 HydrophobicContact SD-CG2 4.06Å
719C92.4Very high89.2Confident8 Ų822.4 Ų22.45%0.05411%0.114CC..Hα-helixtrans-55.1-51.4175-174.20000111.5L697 A715 K716 I721 M722 M723 M873L697-C719 HydrophobicContact CD2-CB 3.64Å; A715-C719 VanDerWaalsContact O-CB 3.31Å; A715-C719 WeakPolarHBondContact O-CB 3.47Å; A715-C719 PolarHBondContact O-N 2.85Å; K716-C719 WeakPolarHBondContact O-CB 3.39Å; K716-C719 PolarHBondContact O-N 2.92Å; C719-I721 PolarHBondContact O-N 3.06Å; C719-M722 PolarHBondContact O-N 3Å; C719-M723 WeakPolarHBondContact O-CG 3.28Å; C719-M723 PolarHBondContact O-N 3.27Å; C719-M873 HydrophobicContact CB-CE 4.23Å; C719-M873 HydrophobicContact CB-SD 4.26Å
720M84.9Confident88.9Confident44 Ų4426.1 Ų26.122%0.21713%0.128CC..Hα-helixtrans-59.9-44.8-178.8-171.3-170.772.600112.2V565 K569 K716 Q717 M718 M723 E724V565-M720 HydrophobicContact CG1-CE 3.79Å; V565-M720 HydrophobicContact CG1-SD 4.34Å; K569-M720 HydrophobicContact CD-SD 4.01Å; K569-M720 VanDerWaalsContact NZ-CE 3.29Å; K569-M720 PolarHBondContact NZ-SD 3.03Å; K716-M720 WeakPolarHBondContact O-CB 3.26Å; K716-M720 PolarHBondContact O-N 2.98Å; Q717-M720 PolarHBondContact O-N 3.23Å; M718-M720 PolarHBondContact O-N 3.49Å; M720-M723 WeakPolarHBondContact O-CB 3.46Å; M720-M723 PolarHBondContact O-N 2.91Å; M720-E724 WeakPolarHBondContact O-CG 3.46Å; M720-E724 PolarHBondContact O-N 2.9Å; M720-E724 VanDerWaalsContact O-N 3.11Å
721I87.3Confident88.2Confident6 Ų622.7 Ų22.73%0.03111%0.114CC..Hα-helixtrans-69.8-36.4179.5-55.7162.4000110.9Q717 M718 C719 M723 E724 M725 A744 K747 I748Q717-I721 HydrophobicContact CG-CD1 4.08Å; Q717-I721 WeakPolarHBondContact O-CG1 3.37Å; Q717-I721 PolarHBondContact O-N 2.97Å; Q717-I721 VanDerWaalsContact O-N 3.15Å; M718-I721 PolarHBondContact O-N 3.43Å; C719-I721 PolarHBondContact O-N 3.06Å; I721-M723 VanDerWaalsContact C-N 3.3Å; I721-M723 PolarHBondContact O-N 3.06Å; I721-E724 PolarHBondContact O-N 3.05Å; I721-M725 HydrophobicContact CG2-SD 4.36Å; I721-M725 VanDerWaalsContact O-CG 3.31Å; I721-M725 WeakPolarHBondContact O-CG 3.39Å; I721-M725 PolarHBondContact O-N 2.99Å; I721-A744 HydrophobicContact CG2-CB 3.59Å; I721-A744 WeakPolarHBondContact CG2-O 3.49Å; I721-K747 HydrophobicContact CD1-CB 3.85Å; I721-I748 HydrophobicContact CB-CD1 3.77Å; I721-I748 HydrophobicContact CB-CG1 3.6Å; I721-I748 HydrophobicContact CD1-CG1 4.01Å; I721-I748 HydrophobicContact CG1-CG1 4.43Å; I721-I748 HydrophobicContact CG2-CD1 3.54Å; I721-I748 HydrophobicContact CG2-CG1 3.55Å
722M93Very high87.5Confident0 Ų028.8 Ų28.80%014%0.141CC..Hα-helixtrans-64.2-35.1174.8-74.8-174.4-75.500112.4F690 M718 C719 M725 T726 I748 A869 L872 M873F690-M722 HydrophobicContact CE2-CB 4.09Å; F690-M722 HydrophobicContact CZ-CB 3.83Å; M718-M722 HydrophobicContact CB-CE 4.14Å; M718-M722 WeakPolarHBondContact O-CB 3.18Å; M718-M722 WeakPolarHBondContact O-CE 3.24Å; M718-M722 VanDerWaalsContact O-CG 3.32Å; M718-M722 WeakPolarHBondContact O-CG 3.4Å; M718-M722 PolarHBondContact O-N 2.76Å; C719-M722 PolarHBondContact O-N 3Å; M722-M725 PolarHBondContact O-N 3.26Å; M722-T726 WeakPolarHBondContact O-CB 3.36Å; M722-T726 PolarHBondContact O-N 3.02Å; M722-T726 PolarHBondContact O-OG1 2.94Å; M722-I748 HydrophobicContact CG-CD1 3.65Å; M722-A869 HydrophobicContact CB-CB 4.28Å; M722-A869 HydrophobicContact CG-CB 4.2Å; M722-A869 HydrophobicContact SD-CB 4.31Å; M722-L872 HydrophobicContact CE-CG 4.38Å; M722-L872 HydrophobicContact SD-CB 3.81Å; M722-L872 HydrophobicContact SD-CD2 3.8Å; M722-L872 HydrophobicContact SD-CG 3.8Å; M722-M873 HydrophobicContact CB-CE 4.19Å; M722-M873 HydrophobicContact CE-CB 4.15Å; M722-M873 HydrophobicContact CE-CE 3.6Å; M722-M873 HydrophobicContact CE-SD 3.66Å; M722-M873 HydrophobicContact SD-CB 4.29Å; M722-M873 HydrophobicContact SD-CE 4.28Å
723M87Confident86.7Confident37 Ų3730.2 Ų30.218%0.18216%0.155CC..Hα-helixtrans-62.2-50.2171.7-72.7-70.7-50.700110.9F690 K694 C719 M720 I721 M725 T726 D727F690-M723 HydrophobicContact CD1-SD 4.45Å; F690-M723 HydrophobicContact CE1-CG 4.35Å; F690-M723 HydrophobicContact CE1-SD 3.52Å; F690-M723 VanDerWaalsContact CE1-SD 3.52Å; F690-M723 HydrophobicContact CZ-SD 4.25Å; K694-M723 HydrophobicContact CD-SD 3.59Å; K694-M723 VanDerWaalsContact CD-SD 3.59Å; K694-M723 HydrophobicContact CG-SD 4.07Å; C719-M723 WeakPolarHBondContact O-CG 3.28Å; C719-M723 PolarHBondContact O-N 3.27Å; M720-M723 WeakPolarHBondContact O-CB 3.46Å; M720-M723 PolarHBondContact O-N 2.91Å; I721-M723 VanDerWaalsContact C-N 3.3Å; I721-M723 PolarHBondContact O-N 3.06Å; M723-M725 VanDerWaalsContact C-N 3.26Å; M723-M725 PolarHBondContact O-N 3.42Å; M723-T726 CarbonylContact O-C 3.59Å; M723-T726 WeakPolarHBondContact O-CA 3.49Å; M723-T726 PolarHBondContact O-N 3.16Å; M723-D727 PolarHBondContact O-N 3.49Å
724E86.5Confident86.2Confident28 Ų2830.7 Ų30.713%0.13116%0.159CC..Hα-helixtrans-58-39.1178.2-68.1173.3-178.900112.2K569 M720 I721 D727 F728 P734 L735K569-E724 IonicContact NZ-OE1 2.69Å; K569-E724 PolarHBondContact NZ-OE1 3.26Å; M720-E724 WeakPolarHBondContact O-CG 3.46Å; M720-E724 PolarHBondContact O-N 2.9Å; M720-E724 VanDerWaalsContact O-N 3.11Å; I721-E724 PolarHBondContact O-N 3.05Å; E724-D727 PolarHBondContact O-N 3.43Å; E724-F728 PolarHBondContact O-N 3.13Å; E724-F728 VanDerWaalsContact O-N 3.07Å; E724-P734 HydrophobicContact CB-CG 4.13Å; E724-P734 HydrophobicContact CG-CG 3.68Å; E724-L735 HydrophobicContact CB-CD1 4.2Å; E724-L735 HydrophobicContact CB-CG 4.24Å; E724-L735 WeakPolarHBondContact O-CD1 3.48Å
725M89.5Confident85.6Confident1 Ų130.9 Ų30.91%0.00516%0.16CC..Hα-helixtrans-68.6-34.2175.8-68.317969.600112.9I721 M722 M723 L735 V741 A744 A745 I748 L789 L865I721-M725 HydrophobicContact CG2-SD 4.36Å; I721-M725 VanDerWaalsContact O-CG 3.31Å; I721-M725 WeakPolarHBondContact O-CG 3.39Å; I721-M725 PolarHBondContact O-N 2.99Å; M722-M725 PolarHBondContact O-N 3.26Å; M723-M725 VanDerWaalsContact C-N 3.26Å; M723-M725 PolarHBondContact O-N 3.42Å; M725-L735 HydrophobicContact CB-CD1 4.42Å; M725-L735 HydrophobicContact CG-CD1 3.86Å; M725-V741 HydrophobicContact CE-CG1 3.82Å; M725-A744 HydrophobicContact CG-CB 3.74Å; M725-A744 HydrophobicContact SD-CB 3.82Å; M725-A745 HydrophobicContact CE-CB 3.97Å; M725-A745 HydrophobicContact SD-CB 4.47Å; M725-I748 HydrophobicContact SD-CD1 3.59Å; M725-I748 VanDerWaalsContact SD-CD1 3.59Å; M725-L789 HydrophobicContact CE-CD1 3.79Å; M725-L789 HydrophobicContact CE-CD2 4.04Å; M725-L789 HydrophobicContact CE-CG 3.78Å; M725-L789 HydrophobicContact SD-CD2 3.97Å; M725-L789 HydrophobicContact SD-CG 4.38Å; M725-L865 HydrophobicContact CB-CD2 4.47Å; M725-L865 HydrophobicContact CE-CD1 3.63Å; M725-L865 HydrophobicContact CE-CD2 4.36Å; M725-L865 HydrophobicContact CE-CG 4.24Å
726T88.3Confident84.8Confident2 Ų232.3 Ų32.31%0.01217%0.166CC..Hα-helixtrans-78-29.1176.5-58.30000111.8V687 F690 M722 M723 T729 I866V687-T726 HydrophobicContact CB-CG2 4.18Å; V687-T726 HydrophobicContact CG1-CG2 3.89Å; V687-T726 HydrophobicContact CG2-CG2 3.63Å; F690-T726 HydrophobicContact CD1-CG2 3.8Å; F690-T726 HydrophobicContact CE1-CG2 4.12Å; F690-T726 HydrophobicContact CG-CG2 4.35Å; M722-T726 WeakPolarHBondContact O-CB 3.36Å; M722-T726 PolarHBondContact O-N 3.02Å; M722-T726 PolarHBondContact O-OG1 2.94Å; M723-T726 CarbonylContact O-C 3.59Å; M723-T726 WeakPolarHBondContact O-CA 3.49Å; M723-T726 PolarHBondContact O-N 3.16Å; T726-T729 PolarHBondContact O-OG1 2.99Å; T726-I866 HydrophobicContact CG2-CG1 4.24Å; T726-I866 HydrophobicContact CG2-CG2 4.5Å
727D84.3Confident84.4Confident34 Ų3429.1 Ų29.118%0.18215%0.153CC..Hα-helixtrans-69-39.9172.1-73.2-18.5000111.5M723 E724 T729 R730 G731 K732M723-D727 PolarHBondContact O-N 3.49Å; E724-D727 PolarHBondContact O-N 3.43Å; D727-T729 PolarHBondContact O-N 3.25Å; D727-R730 WeakPolarHBondContact O-CA 3.43Å; D727-R730 PolarHBondContact O-N 3.33Å; D727-R730 IonicContact OD1-CZ 2.88Å; D727-R730 IonicContact OD1-NE 2.77Å; D727-R730 IonicContact OD1-NH2 3.26Å; D727-R730 PolarHBondContact OD1-NH2 3.42Å; D727-G731 PolarHBondContact O-N 3.24Å; D727-K732 CarbonylContact C-O 3.58Å; D727-K732 HydrophobicContact CB-CB 4.2Å; D727-K732 CarbonylContact O-C 3.6Å; D727-K732 WeakPolarHBondContact O-CA 3.38Å; D727-K732 PolarHBondContact O-N 2.91Å
728F86.5Confident83.9Confident18 Ų1828.6 Ų28.68%0.07915%0.153CC..Hα-helixtrans-54.4-38.8176.2175-95.6000112.2A668 R669 M672 E724 R730 G731 K732 L735 V741A668-F728 HydrophobicContact CB-CE2 4.18Å; A668-F728 HydrophobicContact CB-CZ 3.73Å; R669-F728 HydrophobicContact CB-CD2 4.04Å; R669-F728 HydrophobicContact CB-CE2 3.86Å; M672-F728 HydrophobicContact CG-CE1 4.23Å; M672-F728 HydrophobicContact CG-CZ 4.47Å; E724-F728 PolarHBondContact O-N 3.13Å; E724-F728 VanDerWaalsContact O-N 3.07Å; F728-R730 PolarHBondContact O-N 3.32Å; F728-G731 PolarHBondContact O-N 2.79Å; F728-K732 WeakPolarHBondContact CA-O 3.5Å; F728-K732 PolarHBondContact N-O 3.46Å; F728-L735 HydrophobicContact CB-CB 4.22Å; F728-L735 HydrophobicContact CB-CD1 4.25Å; F728-L735 HydrophobicContact CD2-CB 3.9Å; F728-L735 WeakPolarHBondContact CD2-O 3.44Å; F728-L735 HydrophobicContact CG-CB 4.35Å; F728-V741 HydrophobicContact CB-CG2 4.45Å; F728-V741 HydrophobicContact CD1-CG2 3.56Å; F728-V741 HydrophobicContact CD2-CG2 3.9Å; F728-V741 HydrophobicContact CE1-CG2 3.65Å; F728-V741 HydrophobicContact CE2-CG2 3.96Å; F728-V741 HydrophobicContact CG-CG2 3.68Å; F728-V741 HydrophobicContact CZ-CG2 3.84Å
729T86.1Confident83.2Confident2 Ų230.2 Ų30.21%0.01217%0.165CC..THydrogen-bonded Turntrans-67.9-16.9179.466.90000113.5M672 T726 D727 A862 L865 I866M672-T729 WeakPolarHBondContact CE-O 3.46Å; T726-T729 PolarHBondContact O-OG1 2.99Å; D727-T729 PolarHBondContact O-N 3.25Å; T729-A862 HydrophobicContact CG2-CB 4.04Å; T729-L865 HydrophobicContact CG2-CD2 3.93Å; T729-I866 HydrophobicContact CG2-CD1 4.27Å; T729-I866 HydrophobicContact CG2-CG1 4.07Å
730R83.7Confident82.8Confident77 Ų7731.9 Ų31.929%0.29117%0.173SC..THydrogen-bonded Turntrans-97.45.5173.9-60.9-176.7-71.2175.1-1.3112.4I683 V687 D727 F728 K732I683-R730 HydrophobicContact CG2-CG 3.8Å; V687-R730 HydrophobicContact CG2-CG 4.13Å; D727-R730 WeakPolarHBondContact O-CA 3.43Å; D727-R730 PolarHBondContact O-N 3.33Å; D727-R730 IonicContact OD1-CZ 2.88Å; D727-R730 IonicContact OD1-NE 2.77Å; D727-R730 IonicContact OD1-NH2 3.26Å; D727-R730 PolarHBondContact OD1-NH2 3.42Å; F728-R730 PolarHBondContact O-N 3.32Å; R730-K732 VanDerWaalsContact C-N 3.28Å; R730-K732 HydrophobicContact CB-CG 4.32Å
731G77Confident82.9Confident18 Ų1830 Ų3019%0.18616%0.164CC..THydrogen-bonded Turntrans72.720-172.200000113.8R669 D727 F728R669-G731 VanDerWaalsContact CG-C 3.49Å; R669-G731 WeakPolarHBondContact CG-O 3.4Å; R669-G731 WeakPolarHBondContact O-CA 3.38Å; D727-G731 PolarHBondContact O-N 3.24Å; F728-G731 PolarHBondContact O-N 2.79Å
732K78Confident82.7Confident128 Ų12831.4 Ų31.456%0.55717%0.171SC*.  trans-114176.4-177.5-60.8-174.2179.9-172.20111D727 F728 R730D727-K732 CarbonylContact C-O 3.58Å; D727-K732 HydrophobicContact CB-CB 4.2Å; D727-K732 CarbonylContact O-C 3.6Å; D727-K732 WeakPolarHBondContact O-CA 3.38Å; D727-K732 PolarHBondContact O-N 2.91Å; F728-K732 WeakPolarHBondContact CA-O 3.5Å; F728-K732 PolarHBondContact N-O 3.46Å; R730-K732 VanDerWaalsContact C-N 3.28Å; R730-K732 HydrophobicContact CB-CG 4.32Å
733G75Confident82.3Confident29 Ų2934.9 Ų34.930%0.29919%0.19SC..SBendtrans79.8-177.1172.300000115R669R669-G733 PolarHBondContact NH1-O 3.33Å
734P76.6Confident82.3Confident74 Ų7433.3 Ų33.348%0.48118%0.183SC..SBendtrans-80-24.8-169.830.3-34.9000114.2E724 K736E724-P734 HydrophobicContact CB-CG 4.13Å; E724-P734 HydrophobicContact CG-CG 3.68Å; P734-K736 PolarHBondContact O-N 3.26Å
735L80Confident82.6Confident16 Ų1632 Ų328%0.08418%0.177CC..  trans-70.4126.7-178.1-49.1179.9000109.4R669 E724 M725 F728 D740 V741 A744R669-L735 VanDerWaalsContact CD-O 3.24Å; R669-L735 WeakPolarHBondContact CD-O 3.36Å; R669-L735 PolarHBondContact NE-O 3.26Å; E724-L735 HydrophobicContact CB-CD1 4.2Å; E724-L735 HydrophobicContact CB-CG 4.24Å; E724-L735 WeakPolarHBondContact O-CD1 3.48Å; M725-L735 HydrophobicContact CB-CD1 4.42Å; M725-L735 HydrophobicContact CG-CD1 3.86Å; F728-L735 HydrophobicContact CB-CB 4.22Å; F728-L735 HydrophobicContact CB-CD1 4.25Å; F728-L735 HydrophobicContact CD2-CB 3.9Å; F728-L735 WeakPolarHBondContact CD2-O 3.44Å; F728-L735 HydrophobicContact CG-CB 4.35Å; L735-D740 HydrophobicContact CB-CB 3.93Å; L735-D740 HydrophobicContact CD2-CB 3.92Å; L735-D740 HydrophobicContact CG-CB 4.48Å; L735-V741 HydrophobicContact CB-CG2 4.34Å; L735-V741 HydrophobicContact CD1-CG2 4.08Å; L735-A744 HydrophobicContact CD1-CB 4.14Å; L735-A744 HydrophobicContact CD2-CB 4.29Å
736K76Confident82.5Confident29 Ų2936.7 Ų36.713%0.12620%0.197CC..  trans-101.8-42.1-174.5-46.6-167.7176.8169.50112S654 T657 A668 R669 P734 D740S654-K736 WeakPolarHBondContact OG-CE 3.33Å; S654-K736 PolarHBondContact OG-NZ 3.04Å; T657-K736 PolarHBondContact OG1-NZ 3.47Å; A668-K736 PolarHBondContact N-O 3.44Å; R669-K736 WeakPolarHBondContact CB-O 3.43Å; R669-K736 PolarHBondContact N-O 3.37Å; R669-K736 VanDerWaalsContact NH2-CG 3.32Å; P734-K736 PolarHBondContact O-N 3.26Å; K736-D740 WeakPolarHBondContact CA-OD2 3.46Å; K736-D740 WeakPolarHBondContact CB-OD2 3.43Å; K736-D740 PolarHBondContact N-OD2 3.04Å
737N78.8Confident82.7Confident11 Ų1142.3 Ų42.36%0.05922%0.221CC..SBendtrans-129.5169.2-168.75950.8000111.2S739 D740 V741N737-S739 VanDerWaalsContact CG-OG 3.24Å; N737-S739 PolarHBondContact O-N 2.86Å; N737-S739 WeakPolarHBondContact OD1-CA 3.39Å; N737-S739 WeakPolarHBondContact OD1-CB 3.34Å; N737-S739 PolarHBondContact OD1-N 3.09Å; N737-S739 VanDerWaalsContact OD1-N 3.1Å; N737-S739 PolarHBondContact OD1-OG 3.46Å; N737-D740 VanDerWaalsContact CG-OD2 3.24Å; N737-D740 PolarHBondContact N-OD2 2.92Å; N737-D740 PolarHBondContact ND2-OD2 3.47Å; N737-D740 WeakPolarHBondContact O-CB 3.23Å; N737-D740 PolarHBondContact O-N 3.1Å; N737-D740 VanDerWaalsContact O-N 3.13Å; N737-D740 PolarHBondContact OD1-N 3.43Å; N737-D740 PolarHBondContact OD1-OD1 3.31Å; N737-D740 PolarHBondContact OD1-OD2 3.45Å; N737-V741 PolarHBondContact O-N 3.26Å
738T78.8Confident83.1Confident38 Ų3840.7 Ų40.723%0.23321%0.213CC..Hα-helixtrans-60.9-31.9179.1-47.30000112D740 V741 I742T738-D740 VanDerWaalsContact C-N 3.35Å; T738-D740 PolarHBondContact O-N 2.72Å; T738-V741 PolarHBondContact O-N 3.3Å; T738-I742 HydrophobicContact CG2-CD1 4.17Å; T738-I742 VanDerWaalsContact O-CG1 3.27Å; T738-I742 WeakPolarHBondContact O-CG1 3.37Å; T738-I742 PolarHBondContact O-N 2.91Å
739S78.5Confident83.3Confident34 Ų3441.2 Ų41.224%0.23822%0.22CC..Hα-helixtrans-64.6-35.2175.236.20000113.5N737 I742 N743N737-S739 VanDerWaalsContact CG-OG 3.24Å; N737-S739 PolarHBondContact O-N 2.86Å; N737-S739 WeakPolarHBondContact OD1-CA 3.39Å; N737-S739 WeakPolarHBondContact OD1-CB 3.34Å; N737-S739 PolarHBondContact OD1-N 3.09Å; N737-S739 VanDerWaalsContact OD1-N 3.1Å; N737-S739 PolarHBondContact OD1-OG 3.46Å; S739-I742 PolarHBondContact O-N 3.09Å; S739-N743 WeakPolarHBondContact O-CB 3.45Å; S739-N743 VanDerWaalsContact O-CG 3.23Å; S739-N743 PolarHBondContact O-N 3.07Å; S739-N743 PolarHBondContact O-ND2 3.4Å
740D84.1Confident83.6Confident43 Ų4346.4 Ų46.423%0.2324%0.244CC..Hα-helixtrans-64.3-43.4175.3-60.1-32.6000110.4L735 K736 N737 T738 I742 N743 A744L735-D740 HydrophobicContact CB-CB 3.93Å; L735-D740 HydrophobicContact CD2-CB 3.92Å; L735-D740 HydrophobicContact CG-CB 4.48Å; K736-D740 WeakPolarHBondContact CA-OD2 3.46Å; K736-D740 WeakPolarHBondContact CB-OD2 3.43Å; K736-D740 PolarHBondContact N-OD2 3.04Å; N737-D740 VanDerWaalsContact CG-OD2 3.24Å; N737-D740 PolarHBondContact N-OD2 2.92Å; N737-D740 PolarHBondContact ND2-OD2 3.47Å; N737-D740 WeakPolarHBondContact O-CB 3.23Å; N737-D740 PolarHBondContact O-N 3.1Å; N737-D740 VanDerWaalsContact O-N 3.13Å; N737-D740 PolarHBondContact OD1-N 3.43Å; N737-D740 PolarHBondContact OD1-OD1 3.31Å; N737-D740 PolarHBondContact OD1-OD2 3.45Å; T738-D740 VanDerWaalsContact C-N 3.35Å; T738-D740 PolarHBondContact O-N 2.72Å; D740-I742 PolarHBondContact O-N 2.87Å; D740-N743 PolarHBondContact O-N 3.03Å; D740-A744 VanDerWaalsContact O-CB 3.31Å; D740-A744 WeakPolarHBondContact O-CB 3.28Å; D740-A744 PolarHBondContact O-N 2.75Å
741V86.5Confident84Confident5 Ų542.7 Ų42.73%0.0323%0.231CC..Hα-helixtrans-64.4-39.8176.6-1740000111.3M725 F728 L735 N737 T738 A744 A745 L865M725-V741 HydrophobicContact CE-CG1 3.82Å; F728-V741 HydrophobicContact CB-CG2 4.45Å; F728-V741 HydrophobicContact CD1-CG2 3.56Å; F728-V741 HydrophobicContact CD2-CG2 3.9Å; F728-V741 HydrophobicContact CE1-CG2 3.65Å; F728-V741 HydrophobicContact CE2-CG2 3.96Å; F728-V741 HydrophobicContact CG-CG2 3.68Å; F728-V741 HydrophobicContact CZ-CG2 3.84Å; L735-V741 HydrophobicContact CB-CG2 4.34Å; L735-V741 HydrophobicContact CD1-CG2 4.08Å; N737-V741 PolarHBondContact O-N 3.26Å; T738-V741 PolarHBondContact O-N 3.3Å; V741-A744 PolarHBondContact O-N 3.17Å; V741-A745 WeakPolarHBondContact O-CB 3.36Å; V741-A745 PolarHBondContact O-N 3.27Å; V741-L865 HydrophobicContact CG1-CD1 4.42Å; V741-L865 HydrophobicContact CG1-CD2 3.88Å
742I82.5Confident84.8Confident35 Ų3542 Ų4218%0.17922%0.223CC..Hα-helixtrans-64.3-44.3174.2-67.9165.3000110.8T738 S739 D740 A745 K746 S793 K794T738-I742 HydrophobicContact CG2-CD1 4.17Å; T738-I742 VanDerWaalsContact O-CG1 3.27Å; T738-I742 WeakPolarHBondContact O-CG1 3.37Å; T738-I742 PolarHBondContact O-N 2.91Å; S739-I742 PolarHBondContact O-N 3.09Å; D740-I742 PolarHBondContact O-N 2.87Å; I742-A745 PolarHBondContact O-N 2.96Å; I742-K746 HydrophobicContact CG2-CD 4.46Å; I742-K746 WeakPolarHBondContact O-CG 3.21Å; I742-K746 PolarHBondContact O-N 3.36Å; I742-S793 WeakPolarHBondContact CG1-O 3.41Å; I742-K794 HydrophobicContact CD1-CG 4.23Å; I742-K794 HydrophobicContact CG1-CG 4.13Å
743N84.4Confident85.5Confident73 Ų7338.7 Ų38.739%0.3922%0.216SC..Hα-helixtrans-68.3-36.4179.4-71.7-25.7000111.8S739 D740 K746 K747S739-N743 WeakPolarHBondContact O-CB 3.45Å; S739-N743 VanDerWaalsContact O-CG 3.23Å; S739-N743 PolarHBondContact O-N 3.07Å; S739-N743 PolarHBondContact O-ND2 3.4Å; D740-N743 PolarHBondContact O-N 3.03Å; N743-K746 PolarHBondContact O-N 3.39Å; N743-K747 WeakPolarHBondContact O-CG 3.41Å; N743-K747 PolarHBondContact O-N 3.49Å
744A88.4Confident86.4Confident5 Ų543 Ų434%0.04122%0.223CC..Hα-helixtrans-59.2-47.6170.600000111.3I721 M725 L735 D740 V741 K746 K747 I748I721-A744 HydrophobicContact CG2-CB 3.59Å; I721-A744 WeakPolarHBondContact CG2-O 3.49Å; M725-A744 HydrophobicContact CG-CB 3.74Å; M725-A744 HydrophobicContact SD-CB 3.82Å; L735-A744 HydrophobicContact CD1-CB 4.14Å; L735-A744 HydrophobicContact CD2-CB 4.29Å; D740-A744 VanDerWaalsContact O-CB 3.31Å; D740-A744 WeakPolarHBondContact O-CB 3.28Å; D740-A744 PolarHBondContact O-N 2.75Å; V741-A744 PolarHBondContact O-N 3.17Å; A744-K746 VanDerWaalsContact C-N 3.32Å; A744-K746 PolarHBondContact O-N 2.99Å; A744-K747 PolarHBondContact O-N 3.33Å; A744-I748 WeakPolarHBondContact O-CG1 3.28Å; A744-I748 PolarHBondContact O-N 3.15Å
745A90.8Very high87.4Confident0 Ų039.5 Ų39.50%020%0.201CC..Hα-helixtrans-61.9-36.9175.900000113M725 V741 I742 I748 A749 L789 N790 S793M725-A745 HydrophobicContact CE-CB 3.97Å; M725-A745 HydrophobicContact SD-CB 4.47Å; V741-A745 WeakPolarHBondContact O-CB 3.36Å; V741-A745 PolarHBondContact O-N 3.27Å; I742-A745 PolarHBondContact O-N 2.96Å; A745-I748 PolarHBondContact O-N 3.17Å; A745-A749 PolarHBondContact O-N 2.94Å; A745-L789 HydrophobicContact CB-CG 4.41Å; A745-N790 VanDerWaalsContact CB-OD1 3.3Å; A745-N790 WeakPolarHBondContact CB-OD1 3.47Å; A745-S793 WeakPolarHBondContact CB-OG 3.33Å
746K89.4Confident88.1Confident99 Ų9939.8 Ų39.843%0.4320%0.202SC..Hα-helixtrans-65.2-46.3173.2-71.9173.4-174.4167.40112I742 N743 A744 I748 A749 E750 N790I742-K746 HydrophobicContact CG2-CD 4.46Å; I742-K746 WeakPolarHBondContact O-CG 3.21Å; I742-K746 PolarHBondContact O-N 3.36Å; N743-K746 PolarHBondContact O-N 3.39Å; A744-K746 VanDerWaalsContact C-N 3.32Å; A744-K746 PolarHBondContact O-N 2.99Å; K746-I748 VanDerWaalsContact C-N 3.29Å; K746-I748 PolarHBondContact O-N 3.4Å; K746-A749 WeakPolarHBondContact O-CB 3.47Å; K746-A749 PolarHBondContact O-N 3.25Å; K746-E750 WeakPolarHBondContact O-CG 3.36Å; K746-E750 PolarHBondContact O-N 2.84Å; K746-N790 PolarHBondContact N-OD1 2.91Å
747K91.5Very high89Confident120 Ų12045.2 Ų45.252%0.52223%0.226SC..Hα-helixtrans-58.7-41.2176.3-73.4176.8-179.8-179.40111.5I721 N743 A744 E750 A751I721-K747 HydrophobicContact CD1-CB 3.85Å; N743-K747 WeakPolarHBondContact O-CG 3.41Å; N743-K747 PolarHBondContact O-N 3.49Å; A744-K747 PolarHBondContact O-N 3.33Å; K747-E750 PolarHBondContact O-N 3.32Å; K747-A751 WeakPolarHBondContact O-CB 3.46Å; K747-A751 PolarHBondContact O-N 2.89Å
748I92.8Very high89.7Confident0 Ų046.4 Ų46.40%023%0.232CC..Hα-helixtrans-61.6-44.7173.2-73.9171.1000111.1M718 I721 M722 M725 A744 A745 K746 E750 A751 G752 L789 L872M718-I748 HydrophobicContact CE-CG2 4.06Å; I721-I748 HydrophobicContact CB-CD1 3.77Å; I721-I748 HydrophobicContact CB-CG1 3.6Å; I721-I748 HydrophobicContact CD1-CG1 4.01Å; I721-I748 HydrophobicContact CG1-CG1 4.43Å; I721-I748 HydrophobicContact CG2-CD1 3.54Å; I721-I748 HydrophobicContact CG2-CG1 3.55Å; M722-I748 HydrophobicContact CG-CD1 3.65Å; M725-I748 HydrophobicContact SD-CD1 3.59Å; M725-I748 VanDerWaalsContact SD-CD1 3.59Å; A744-I748 WeakPolarHBondContact O-CG1 3.28Å; A744-I748 PolarHBondContact O-N 3.15Å; A745-I748 PolarHBondContact O-N 3.17Å; K746-I748 VanDerWaalsContact C-N 3.29Å; K746-I748 PolarHBondContact O-N 3.4Å; I748-E750 VanDerWaalsContact C-N 3.33Å; I748-E750 PolarHBondContact O-N 3.11Å; I748-A751 PolarHBondContact O-N 3.43Å; I748-G752 PolarHBondContact O-N 2.71Å; I748-L789 HydrophobicContact CB-CD2 4.35Å; I748-L789 HydrophobicContact CD1-CD2 3.51Å; I748-L789 HydrophobicContact CG2-CD2 3.99Å; I748-L872 HydrophobicContact CG2-CD2 3.33Å
749A91.4Very high90.5Very high29 Ų2944.6 Ų44.624%0.2422%0.221CC..Hα-helixtrans-64.4-37.5179.300000112.6A745 K746 G752 S753 C786 N790A745-A749 PolarHBondContact O-N 2.94Å; K746-A749 WeakPolarHBondContact O-CB 3.47Å; K746-A749 PolarHBondContact O-N 3.25Å; A749-G752 PolarHBondContact O-N 3Å; A749-S753 WeakPolarHBondContact O-CB 3.49Å; A749-S753 PolarHBondContact O-N 2.63Å; A749-C786 HydrophobicContact CB-CB 4.2Å; A749-N790 WeakPolarHBondContact CB-ND2 3.39Å
750E91.3Very high91.3Very high111 Ų11147.8 Ų47.852%0.51923%0.228SC..Hα-helixtrans-64.6-43.2172.8-71173.9-167.600112.3K746 K747 I748 S753 R754K746-E750 WeakPolarHBondContact O-CG 3.36Å; K746-E750 PolarHBondContact O-N 2.84Å; K747-E750 PolarHBondContact O-N 3.32Å; I748-E750 VanDerWaalsContact C-N 3.33Å; I748-E750 PolarHBondContact O-N 3.11Å; E750-S753 PolarHBondContact O-N 3.34Å; E750-R754 PolarHBondContact O-N 3.05Å; E750-R754 VanDerWaalsContact O-N 3.08Å
751A92.1Very high91.7Very high0 Ų047.4 Ų47.40%023%0.231CC..Hα-helixtrans-64.4-43.4175.100000111.3L714 M718 K747 I748 S753 R754 M755L714-A751 HydrophobicContact CD2-CB 4.04Å; M718-A751 HydrophobicContact CG-CB 3.62Å; M718-A751 HydrophobicContact SD-CB 4.22Å; K747-A751 WeakPolarHBondContact O-CB 3.46Å; K747-A751 PolarHBondContact O-N 2.89Å; I748-A751 PolarHBondContact O-N 3.43Å; A751-S753 VanDerWaalsContact C-N 3.33Å; A751-S753 PolarHBondContact O-N 3.39Å; A751-R754 PolarHBondContact O-N 3.42Å; A751-R754 VanDerWaalsContact O-N 3.17Å; A751-M755 PolarHBondContact O-N 3.23Å
752G94.1Very high92Very high3 Ų347.4 Ų47.43%0.03123%0.231CC..Hα-helixtrans-60.6-39.3174.700000112.7I748 A749 M755 D756I748-G752 PolarHBondContact O-N 2.71Å; A749-G752 PolarHBondContact O-N 3Å; G752-M755 PolarHBondContact O-N 3.3Å; G752-D756 VanDerWaalsContact O-CB 3.29Å; G752-D756 WeakPolarHBondContact O-CB 3.15Å; G752-D756 PolarHBondContact O-N 3.4Å
753S93.4Very high92.5Very high58 Ų5845.7 Ų45.741%0.40622%0.222SC..Hα-helixtrans-66.4-36.7174.5-1770000112.7A749 E750 A751 K757A749-S753 WeakPolarHBondContact O-CB 3.49Å; A749-S753 PolarHBondContact O-N 2.63Å; E750-S753 PolarHBondContact O-N 3.34Å; A751-S753 VanDerWaalsContact C-N 3.33Å; A751-S753 PolarHBondContact O-N 3.39Å; S753-K757 WeakPolarHBondContact O-CG 3.48Å; S753-K757 PolarHBondContact O-N 3.04Å
754R94Very high92.7Very high120 Ų12046.9 Ų46.945%0.45323%0.228SC..Hα-helixtrans-67.9-42.2173.2-73.5-178-108.3178.8-8.7111.5L714 E750 A751 D756 K757 L758L714-R754 HydrophobicContact CD1-CB 3.7Å; L714-R754 HydrophobicContact CD2-CB 4.03Å; E750-R754 PolarHBondContact O-N 3.05Å; E750-R754 VanDerWaalsContact O-N 3.08Å; A751-R754 PolarHBondContact O-N 3.42Å; A751-R754 VanDerWaalsContact O-N 3.17Å; R754-D756 VanDerWaalsContact C-N 3.31Å; R754-D756 PolarHBondContact O-N 3.14Å; R754-K757 PolarHBondContact O-N 3.22Å; R754-L758 PolarHBondContact O-N 3.31Å
755M96.8Very high92.7Very high0 Ų049.7 Ų49.70%024%0.241CC..Hα-helixtrans-61.8-42.8177.2-177.1178.6-69.300110.5I711 L714 A715 M718 A751 G752 K757 L758 A759 I782 V876 T879I711-M755 HydrophobicContact CG2-CG 4.44Å; L714-M755 HydrophobicContact CB-CB 4.42Å; L714-M755 HydrophobicContact CB-CE 3.8Å; L714-M755 HydrophobicContact CD1-CB 4.05Å; A715-M755 HydrophobicContact CB-CE 3.86Å; M718-M755 HydrophobicContact SD-CE 3.77Å; M718-M755 HydrophobicContact SD-SD 4.32Å; A751-M755 PolarHBondContact O-N 3.23Å; G752-M755 PolarHBondContact O-N 3.3Å; M755-K757 PolarHBondContact O-N 2.71Å; M755-L758 PolarHBondContact O-N 2.88Å; M755-A759 WeakPolarHBondContact O-CB 3.48Å; M755-A759 PolarHBondContact O-N 3.31Å; M755-I782 HydrophobicContact CG-CD1 4.45Å; M755-I782 HydrophobicContact SD-CD1 3.58Å; M755-I782 VanDerWaalsContact SD-CD1 3.58Å; M755-V876 HydrophobicContact CE-CG1 4.05Å; M755-V876 HydrophobicContact SD-CG1 4.42Å; M755-V876 HydrophobicContact SD-CG2 4.45Å; M755-T879 HydrophobicContact CG-CG2 4.3Å; M755-T879 HydrophobicContact SD-CG2 4.07Å
756D94.9Very high92.5Very high23 Ų2350.2 Ų50.212%0.12324%0.244CC..Hα-helixtrans-57.2-45.8175.1176.882.3000112.7G752 R754 L758 R760 L779G752-D756 VanDerWaalsContact O-CB 3.29Å; G752-D756 WeakPolarHBondContact O-CB 3.15Å; G752-D756 PolarHBondContact O-N 3.4Å; R754-D756 VanDerWaalsContact C-N 3.31Å; R754-D756 PolarHBondContact O-N 3.14Å; D756-L758 PolarHBondContact O-N 3.37Å; D756-R760 WeakPolarHBondContact O-CB 3.46Å; D756-R760 PolarHBondContact O-N 3.05Å; D756-R760 IonicContact OD1-CZ 2.78Å; D756-R760 IonicContact OD1-NH1 2.67Å; D756-R760 IonicContact OD1-NH2 3.98Å; D756-R760 PolarHBondContact OD1-NH2 3.22Å; D756-R760 IonicContact OD2-CZ 3.7Å; D756-R760 IonicContact OD2-NH1 3.01Å; D756-R760 PolarHBondContact OD2-NH1 3.41Å; D756-R760 IonicContact OD2-NH2 3.35Å; D756-R760 PolarHBondContact OD2-NH2 3.17Å; D756-L779 WeakPolarHBondContact OD1-CB 3.42Å
757K94.2Very high92.2Very high142 Ų14248.3 Ų48.362%0.61724%0.242SC*.Hα-helixtrans-60.8-46.9176.9-72173.9-176.9177.30112.5S753 R754 M755 A761S753-K757 WeakPolarHBondContact O-CG 3.48Å; S753-K757 PolarHBondContact O-N 3.04Å; R754-K757 PolarHBondContact O-N 3.22Å; M755-K757 PolarHBondContact O-N 2.71Å; K757-A761 PolarHBondContact O-N 3.1Å
758L94.5Very high92.1Very high36 Ų3645.1 Ų45.119%0.18823%0.23CC..Hα-helixtrans-67.8-49.7-178.8-69.1166.9000111.7D710 I711 L714 R754 M755 D756 R760 A761 V762 V903D710-L758 HydrophobicContact CB-CD1 3.42Å; D710-L758 VanDerWaalsContact CB-CD1 3.42Å; I711-L758 HydrophobicContact CD1-CB 4.26Å; I711-L758 HydrophobicContact CG1-CB 3.88Å; I711-L758 HydrophobicContact CG1-CD1 4.31Å; L714-L758 HydrophobicContact CD1-CD1 3.81Å; R754-L758 PolarHBondContact O-N 3.31Å; M755-L758 PolarHBondContact O-N 2.88Å; D756-L758 PolarHBondContact O-N 3.37Å; L758-R760 VanDerWaalsContact C-N 3.33Å; L758-R760 PolarHBondContact O-N 3Å; L758-A761 WeakPolarHBondContact O-CB 3.4Å; L758-A761 PolarHBondContact O-N 2.96Å; L758-V762 WeakPolarHBondContact O-CG2 3.21Å; L758-V762 PolarHBondContact O-N 3.12Å; L758-V903 HydrophobicContact CD2-CG1 4.38Å; L758-V903 WeakPolarHBondContact O-CG1 3.1Å
759A95.5Very high91.9Very high0 Ų049.3 Ų49.30%026%0.26CS..Hα-helixtrans-67.8-31.9-179.200000112.3I711 M755 V762 A763 L775 L779 T879I711-A759 HydrophobicContact CD1-CB 4.22Å; M755-A759 WeakPolarHBondContact O-CB 3.48Å; M755-A759 PolarHBondContact O-N 3.31Å; A759-V762 WeakPolarHBondContact O-CB 3.35Å; A759-V762 PolarHBondContact O-N 3.27Å; A759-A763 WeakPolarHBondContact O-CB 3.47Å; A759-A763 PolarHBondContact O-N 2.97Å; A759-L775 HydrophobicContact CB-CD1 4.29Å; A759-L775 WeakPolarHBondContact O-CD2 3.47Å; A759-L779 HydrophobicContact CB-CD1 3.87Å; A759-L779 HydrophobicContact CB-CD2 3.65Å; A759-L779 HydrophobicContact CB-CG 4.25Å; A759-T879 HydrophobicContact CB-CG2 4.11Å
760R94.4Very high91.8Very high101 Ų10151 Ų5138%0.38127%0.273SS..Hα-helixtrans-65.7-41.7172.1-173.2175.7-66.2116.47.4111.3D756 L758 V762 A763 D764 L776 L779D756-R760 WeakPolarHBondContact O-CB 3.46Å; D756-R760 PolarHBondContact O-N 3.05Å; D756-R760 IonicContact OD1-CZ 2.78Å; D756-R760 IonicContact OD1-NH1 2.67Å; D756-R760 IonicContact OD1-NH2 3.98Å; D756-R760 PolarHBondContact OD1-NH2 3.22Å; D756-R760 IonicContact OD2-CZ 3.7Å; D756-R760 IonicContact OD2-NH1 3.01Å; D756-R760 PolarHBondContact OD2-NH1 3.41Å; D756-R760 IonicContact OD2-NH2 3.35Å; D756-R760 PolarHBondContact OD2-NH2 3.17Å; L758-R760 VanDerWaalsContact C-N 3.33Å; L758-R760 PolarHBondContact O-N 3Å; R760-V762 VanDerWaalsContact C-N 3.28Å; R760-V762 PolarHBondContact O-N 2.78Å; R760-A763 WeakPolarHBondContact O-CA 3.2Å; R760-A763 WeakPolarHBondContact O-CB 3.36Å; R760-A763 PolarHBondContact O-N 3.19Å; R760-D764 PolarHBondContact O-N 3.46Å; R760-L776 HydrophobicContact CG-CD2 4.17Å; R760-L779 HydrophobicContact CB-CD1 4.02Å
761A93Very high91.7Very high35 Ų3546 Ų4629%0.28925%0.251SS..Hα-helixtrans-62.3-35173.500000112.3K757 L758 Q765 V903K757-A761 PolarHBondContact O-N 3.1Å; L758-A761 WeakPolarHBondContact O-CB 3.4Å; L758-A761 PolarHBondContact O-N 2.96Å; A761-Q765 WeakPolarHBondContact O-CG 3.47Å; A761-Q765 PolarHBondContact O-N 3.28Å; A761-V903 HydrophobicContact CB-CG1 3.76Å; A761-V903 HydrophobicContact CB-CG2 3.9Å
762V92.4Very high91.7Very high5 Ų548.6 Ų48.63%0.0326%0.262CS..Hα-helixtrans-64.9-43.8169.7172.10000111.4I711 L758 A759 R760 D764 Q765 C766 L775 S883 A886 S887 V903 V904I711-V762 HydrophobicContact CD1-CG2 4.31Å; L758-V762 WeakPolarHBondContact O-CG2 3.21Å; L758-V762 PolarHBondContact O-N 3.12Å; A759-V762 WeakPolarHBondContact O-CB 3.35Å; A759-V762 PolarHBondContact O-N 3.27Å; R760-V762 VanDerWaalsContact C-N 3.28Å; R760-V762 PolarHBondContact O-N 2.78Å; V762-D764 VanDerWaalsContact C-N 3.32Å; V762-D764 PolarHBondContact O-N 3.31Å; V762-Q765 PolarHBondContact O-N 3.2Å; V762-C766 PolarHBondContact O-N 3.49Å; V762-L775 HydrophobicContact CB-CD2 4.43Å; V762-L775 HydrophobicContact CG1-CD2 4.13Å; V762-S883 WeakPolarHBondContact CG1-O 3.49Å; V762-A886 HydrophobicContact CG1-CB 3.71Å; V762-S887 WeakPolarHBondContact CG1-OG 3.43Å; V762-V903 HydrophobicContact CG2-CB 3.91Å; V762-V903 HydrophobicContact CG2-CG1 3.99Å; V762-V904 HydrophobicContact CG2-CG2 3.9Å
763A92.2Very high91.7Very high0 Ų053.9 Ų53.90%029%0.286CS..Hα-helixtrans-62.1-38.9178.500000112A759 R760 Q765 C766 K772 L775 L776A759-A763 WeakPolarHBondContact O-CB 3.47Å; A759-A763 PolarHBondContact O-N 2.97Å; R760-A763 WeakPolarHBondContact O-CA 3.2Å; R760-A763 WeakPolarHBondContact O-CB 3.36Å; R760-A763 PolarHBondContact O-N 3.19Å; A763-Q765 VanDerWaalsContact C-N 3.29Å; A763-Q765 PolarHBondContact O-N 3.36Å; A763-C766 VanDerWaalsContact O-CB 3.23Å; A763-C766 WeakPolarHBondContact O-CB 3.27Å; A763-C766 PolarHBondContact O-N 3.21Å; A763-K772 HydrophobicContact CB-CG 4.27Å; A763-K772 VanDerWaalsContact O-CD 3.3Å; A763-K772 WeakPolarHBondContact O-CD 3.48Å; A763-K772 WeakPolarHBondContact O-CG 3.29Å; A763-L775 HydrophobicContact CB-CB 4.41Å; A763-L775 HydrophobicContact CB-CD2 3.78Å; A763-L775 HydrophobicContact CB-CG 4.11Å; A763-L776 HydrophobicContact CB-CD2 4.07Å; A763-L776 HydrophobicContact CB-CG 4.22Å
764D90.4Very high91.7Very high98 Ų9855.2 Ų55.252%0.52429%0.289SS..Hα-helixtrans-67.8-28.5179.4-75.6-31.4000113.7R760 V762 C766 K772R760-D764 PolarHBondContact O-N 3.46Å; V762-D764 VanDerWaalsContact C-N 3.32Å; V762-D764 PolarHBondContact O-N 3.31Å; D764-C766 VanDerWaalsContact C-N 3.32Å; D764-K772 WeakPolarHBondContact OD1-CE 3.3Å; D764-K772 IonicContact OD1-NZ 3.13Å; D764-K772 PolarHBondContact OD1-NZ 2.91Å
765Q87.7Confident91.7Very high64 Ų6449.5 Ų49.530%0.29927%0.267SS..Hα-helixtrans-82-11.4172.6-64.9179.511.700112.3A761 V762 A763 P767 Y890A761-Q765 WeakPolarHBondContact O-CG 3.47Å; A761-Q765 PolarHBondContact O-N 3.28Å; V762-Q765 PolarHBondContact O-N 3.2Å; A763-Q765 VanDerWaalsContact C-N 3.29Å; A763-Q765 PolarHBondContact O-N 3.36Å; Q765-P767 VanDerWaalsContact O-CD 3.29Å; Q765-P767 WeakPolarHBondContact O-CD 3.12Å; Q765-Y890 HydrophobicContact CB-CD1 4.49Å; Q765-Y890 HydrophobicContact CB-CD2 3.98Å; Q765-Y890 HydrophobicContact CB-CE2 4.06Å; Q765-Y890 HydrophobicContact CB-CG 4.18Å; Q765-Y890 WeakPolarHBondContact O-CD2 3.43Å
766C86.3Confident91.7Very high11 Ų1151.3 Ų51.37%0.07428%0.277CS..  trans-71.4118.8-175.6-165.70000111.4V762 A763 D764 D768 K772 A886V762-C766 PolarHBondContact O-N 3.49Å; A763-C766 VanDerWaalsContact O-CB 3.23Å; A763-C766 WeakPolarHBondContact O-CB 3.27Å; A763-C766 PolarHBondContact O-N 3.21Å; D764-C766 VanDerWaalsContact C-N 3.32Å; C766-D768 PolarHBondContact O-N 3.03Å; C766-K772 HydrophobicContact CB-CB 4.22Å; C766-A886 HydrophobicContact CB-CB 4.08Å
767P84Confident91.7Very high58 Ų5852 Ų5238%0.37729%0.285SS..SBendtrans-74.6-12.8179.930.5-35.1000113Q765 K889 V893 Y894Q765-P767 VanDerWaalsContact O-CD 3.29Å; Q765-P767 WeakPolarHBondContact O-CD 3.12Å; P767-K889 HydrophobicContact CG-CB 4.36Å; P767-V893 HydrophobicContact CB-CG2 4.18Å; P767-V893 HydrophobicContact CG-CB 4.19Å; P767-V893 HydrophobicContact CG-CG2 3.7Å; P767-Y894 HydrophobicContact CB-CE2 4.41Å
768D88.5Confident91.8Very high53 Ų5347.4 Ų47.428%0.28326%0.264SS..  trans-101113.1-176178.7105.5000110.1C766 A770 C771 K772 K889C766-D768 PolarHBondContact O-N 3.03Å; D768-A770 VanDerWaalsContact C-N 3.33Å; D768-A770 PolarHBondContact O-N 2.91Å; D768-C771 HydrophobicContact CB-CB 4.17Å; D768-C771 PolarHBondContact O-N 3.33Å; D768-C771 WeakPolarHBondContact OD2-CB 3.37Å; D768-C771 PolarHBondContact OD2-N 3Å; D768-K772 PolarHBondContact O-N 3.37Å; D768-K889 HydrophobicContact CB-CD 3.4Å; D768-K889 VanDerWaalsContact CB-CD 3.4Å; D768-K889 IonicContact OD1-NZ 3.8Å; D768-K889 PolarHBondContact OD1-NZ 2.92Å; D768-K889 IonicContact OD2-NZ 3.73Å; D768-K889 PolarHBondContact OD2-NZ 2.94Å
769S88.4Confident91.8Very high89 Ų8945.8 Ų45.862%0.62226%0.256SS*.Hα-helixtrans-59.8-40.3-174.3-176.60000112.7K772 Q773S769-K772 PolarHBondContact O-N 3.35Å; S769-Q773 VanDerWaalsContact O-CG 3.29Å; S769-Q773 WeakPolarHBondContact O-CG 3.41Å; S769-Q773 PolarHBondContact O-N 3.17Å
770A89.5Confident91.8Very high63 Ų6352.5 Ų52.552%0.52129%0.287SS..Hα-helixtrans-63.7-49.2179.800000112D768 K772 Q773 D774D768-A770 VanDerWaalsContact C-N 3.33Å; D768-A770 PolarHBondContact O-N 2.91Å; A770-K772 VanDerWaalsContact C-N 3.3Å; A770-K772 PolarHBondContact O-N 3.05Å; A770-Q773 PolarHBondContact O-N 3.05Å; A770-Q773 VanDerWaalsContact O-N 3.17Å; A770-D774 PolarHBondContact O-N 3.3Å
771C88.9Confident91.8Very high8 Ų852.5 Ų52.55%0.05429%0.287CS..Hα-helixtrans-62.6-37.4177-173.90000112.4D768 L775 A886 K889D768-C771 HydrophobicContact CB-CB 4.17Å; D768-C771 PolarHBondContact O-N 3.33Å; D768-C771 WeakPolarHBondContact OD2-CB 3.37Å; D768-C771 PolarHBondContact OD2-N 3Å; C771-L775 WeakPolarHBondContact O-CB 3.47Å; C771-L775 PolarHBondContact O-N 2.93Å; C771-L775 VanDerWaalsContact O-N 3.09Å; C771-A886 VanDerWaalsContact SG-CA 3.6Å; C771-K889 HydrophobicContact CB-CD 4.09Å
772K92.4Very high91.9Very high54 Ų5451 Ų5124%0.23527%0.274CS..Hα-helixtrans-60.3-48.3173.2-179.7171.2-174.3167.60110.8A763 D764 C766 D768 S769 A770 L775 L776A763-K772 HydrophobicContact CB-CG 4.27Å; A763-K772 VanDerWaalsContact O-CD 3.3Å; A763-K772 WeakPolarHBondContact O-CD 3.48Å; A763-K772 WeakPolarHBondContact O-CG 3.29Å; D764-K772 WeakPolarHBondContact OD1-CE 3.3Å; D764-K772 IonicContact OD1-NZ 3.13Å; D764-K772 PolarHBondContact OD1-NZ 2.91Å; C766-K772 HydrophobicContact CB-CB 4.22Å; D768-K772 PolarHBondContact O-N 3.37Å; S769-K772 PolarHBondContact O-N 3.35Å; A770-K772 VanDerWaalsContact C-N 3.3Å; A770-K772 PolarHBondContact O-N 3.05Å; K772-L775 PolarHBondContact O-N 3.36Å; K772-L776 HydrophobicContact CG-CD1 4.05Å; K772-L776 VanDerWaalsContact O-CG 3.3Å; K772-L776 WeakPolarHBondContact O-CG 3.45Å; K772-L776 PolarHBondContact O-N 3.47Å
773Q93.8Very high91.9Very high114 Ų11453.6 Ų53.653%0.53330%0.296SS..Hα-helixtrans-65.3-41.8-179.6-68-57.6-28.400112.4S769 A770 L775 L776 A777S769-Q773 VanDerWaalsContact O-CG 3.29Å; S769-Q773 WeakPolarHBondContact O-CG 3.41Å; S769-Q773 PolarHBondContact O-N 3.17Å; A770-Q773 PolarHBondContact O-N 3.05Å; A770-Q773 VanDerWaalsContact O-N 3.17Å; Q773-L775 PolarHBondContact O-N 2.59Å; Q773-L776 PolarHBondContact O-N 3.24Å; Q773-A777 WeakPolarHBondContact O-CB 3.38Å; Q773-A777 PolarHBondContact O-N 2.89Å
774D93.2Very high92Very high85 Ų8557.8 Ų57.846%0.45532%0.318SS..Hα-helixtrans-59.4-47.3175.9-72.1-19000111.4A770 A777 Y778A770-D774 PolarHBondContact O-N 3.3Å; D774-A777 PolarHBondContact O-N 3.34Å; D774-Y778 HydrophobicContact CB-CE2 4.13Å; D774-Y778 WeakPolarHBondContact O-CD2 3.47Å; D774-Y778 PolarHBondContact O-N 3.47Å
775L95.5Very high92.2Very high0 Ų055.2 Ų55.20%030%0.301CS..Hα-helixtrans-61.9-47.2179-177.952000111.2A759 V762 A763 C771 K772 Q773 A777 Y778 L779 T879 A882 S883 A886A759-L775 HydrophobicContact CB-CD1 4.29Å; A759-L775 WeakPolarHBondContact O-CD2 3.47Å; V762-L775 HydrophobicContact CB-CD2 4.43Å; V762-L775 HydrophobicContact CG1-CD2 4.13Å; A763-L775 HydrophobicContact CB-CB 4.41Å; A763-L775 HydrophobicContact CB-CD2 3.78Å; A763-L775 HydrophobicContact CB-CG 4.11Å; C771-L775 WeakPolarHBondContact O-CB 3.47Å; C771-L775 PolarHBondContact O-N 2.93Å; C771-L775 VanDerWaalsContact O-N 3.09Å; K772-L775 PolarHBondContact O-N 3.36Å; Q773-L775 PolarHBondContact O-N 2.59Å; L775-A777 VanDerWaalsContact C-N 3.29Å; L775-A777 PolarHBondContact O-N 2.92Å; L775-Y778 PolarHBondContact O-N 3.46Å; L775-Y778 VanDerWaalsContact O-N 3.16Å; L775-L779 WeakPolarHBondContact O-CG 3.24Å; L775-L779 PolarHBondContact O-N 3.01Å; L775-T879 HydrophobicContact CD1-CG2 4.09Å; L775-A882 HydrophobicContact CB-CB 4.25Å; L775-A882 HydrophobicContact CD1-CB 3.91Å; L775-S883 WeakPolarHBondContact CD1-OG 3.46Å; L775-A886 HydrophobicContact CD2-CB 4.06Å
776L95.5Very high92.5Very high39 Ų3952.5 Ų52.520%0.20429%0.29CS..Hα-helixtrans-60.7-37.6176.8-68.9174.8000112.4R760 A763 K772 Q773 L779 Q780R760-L776 HydrophobicContact CG-CD2 4.17Å; A763-L776 HydrophobicContact CB-CD2 4.07Å; A763-L776 HydrophobicContact CB-CG 4.22Å; K772-L776 HydrophobicContact CG-CD1 4.05Å; K772-L776 VanDerWaalsContact O-CG 3.3Å; K772-L776 WeakPolarHBondContact O-CG 3.45Å; K772-L776 PolarHBondContact O-N 3.47Å; Q773-L776 PolarHBondContact O-N 3.24Å; L776-L779 PolarHBondContact O-N 3.1Å; L776-Q780 WeakPolarHBondContact O-CG 3.35Å; L776-Q780 PolarHBondContact O-N 3.22Å
777A95.2Very high92.7Very high36 Ų3657.6 Ų57.630%0.29831%0.312SS..Hα-helixtrans-65.2-38.8175.600000112.2Q773 D774 L775 Q780 R781Q773-A777 WeakPolarHBondContact O-CB 3.38Å; Q773-A777 PolarHBondContact O-N 2.89Å; D774-A777 PolarHBondContact O-N 3.34Å; L775-A777 VanDerWaalsContact C-N 3.29Å; L775-A777 PolarHBondContact O-N 2.92Å; A777-Q780 PolarHBondContact O-N 3.43Å; A777-R781 WeakPolarHBondContact O-CG 3.36Å; A777-R781 PolarHBondContact O-N 3.36Å; A777-R781 VanDerWaalsContact O-N 3.1Å
778Y97Very high92.9Very high47 Ų4758.1 Ų58.118%0.18431%0.309CS..Hα-helixtrans-67.3-35.5174.4-58.8-42.7000112.5D774 L775 R781 I782 L878 T879 A882D774-Y778 HydrophobicContact CB-CE2 4.13Å; D774-Y778 WeakPolarHBondContact O-CD2 3.47Å; D774-Y778 PolarHBondContact O-N 3.47Å; L775-Y778 PolarHBondContact O-N 3.46Å; L775-Y778 VanDerWaalsContact O-N 3.16Å; Y778-R781 WeakPolarHBondContact O-CB 3.38Å; Y778-R781 PolarHBondContact O-N 3.43Å; Y778-R781 VanDerWaalsContact O-N 3.17Å; Y778-I782 PolarHBondContact O-N 2.83Å; Y778-L878 HydrophobicContact CD1-CB 3.82Å; Y778-L878 HydrophobicContact CD1-CD1 3.96Å; Y778-L878 HydrophobicContact CD1-CG 4.5Å; Y778-L878 HydrophobicContact CD2-CB 3.96Å; Y778-L878 HydrophobicContact CE1-CB 3.88Å; Y778-L878 HydrophobicContact CE1-CD1 3.63Å; Y778-L878 HydrophobicContact CE1-CG 4.22Å; Y778-L878 HydrophobicContact CE2-CB 4.02Å; Y778-L878 HydrophobicContact CG-CB 3.88Å; Y778-T879 WeakPolarHBondContact CB-OG1 3.2Å; Y778-A882 HydrophobicContact CD2-CB 3.77Å; Y778-A882 HydrophobicContact CE2-CB 3.85Å
779L94.4Very high93.1Very high1 Ų155.6 Ų55.61%0.00530%0.296CS..Hα-helixtrans-64.8-40.8174-65.1-173.6000112.8D756 A759 R760 L775 L776 R781 I782 A783 T879D756-L779 WeakPolarHBondContact OD1-CB 3.42Å; A759-L779 HydrophobicContact CB-CD1 3.87Å; A759-L779 HydrophobicContact CB-CD2 3.65Å; A759-L779 HydrophobicContact CB-CG 4.25Å; R760-L779 HydrophobicContact CB-CD1 4.02Å; L775-L779 WeakPolarHBondContact O-CG 3.24Å; L775-L779 PolarHBondContact O-N 3.01Å; L776-L779 PolarHBondContact O-N 3.1Å; L779-R781 VanDerWaalsContact C-N 3.27Å; L779-R781 PolarHBondContact O-N 3.1Å; L779-I782 HydrophobicContact CD2-CD1 4.32Å; L779-I782 PolarHBondContact O-N 2.75Å; L779-A783 PolarHBondContact O-N 3.07Å; L779-T879 HydrophobicContact CD2-CG2 3.63Å
780Q94.3Very high93Very high141 Ų14152.4 Ų52.466%0.65927%0.272SS*.Hα-helixtrans-60.2-38.8171.7-71.4175.6-900111.7L776 A777 A783 L784L776-Q780 WeakPolarHBondContact O-CG 3.35Å; L776-Q780 PolarHBondContact O-N 3.22Å; A777-Q780 PolarHBondContact O-N 3.43Å; Q780-A783 PolarHBondContact O-N 2.75Å; Q780-L784 WeakPolarHBondContact O-CB 3.39Å; Q780-L784 PolarHBondContact O-N 2.78Å
781R95.8Very high92.8Very high102 Ų10253.9 Ų53.939%0.38527%0.27SS..Hα-helixtrans-65.5-41.4174.2-70.2177.9-173.1-176.81.9112.4A777 Y778 L779 A783 L784 Y785 A875A777-R781 WeakPolarHBondContact O-CG 3.36Å; A777-R781 PolarHBondContact O-N 3.36Å; A777-R781 VanDerWaalsContact O-N 3.1Å; Y778-R781 WeakPolarHBondContact O-CB 3.38Å; Y778-R781 PolarHBondContact O-N 3.43Å; Y778-R781 VanDerWaalsContact O-N 3.17Å; L779-R781 VanDerWaalsContact C-N 3.27Å; L779-R781 PolarHBondContact O-N 3.1Å; R781-A783 VanDerWaalsContact C-N 3.33Å; R781-A783 PolarHBondContact O-N 3.01Å; R781-L784 PolarHBondContact O-N 3.08Å; R781-Y785 HydrophobicContact CB-CD2 4.14Å; R781-Y785 HydrophobicContact CB-CE2 3.84Å; R781-Y785 HydrophobicContact CG-CE2 4.37Å; R781-Y785 WeakPolarHBondContact O-CB 3.47Å; R781-Y785 WeakPolarHBondContact O-CD2 3.35Å; R781-Y785 VanDerWaalsContact O-CG 3.25Å; R781-Y785 PolarHBondContact O-N 3.23Å; R781-A875 HydrophobicContact CB-CB 4.09Å
782I94.4Very high92.6Very high2 Ų254.7 Ų54.71%0.0128%0.275CS..Hα-helixtrans-57.2-49.1174.1-73.2179.5000110.1M718 M755 Y778 L779 L784 Y785 C786 L872 A875 V876 T879M718-I782 HydrophobicContact CE-CG2 4.39Å; M755-I782 HydrophobicContact CG-CD1 4.45Å; M755-I782 HydrophobicContact SD-CD1 3.58Å; M755-I782 VanDerWaalsContact SD-CD1 3.58Å; Y778-I782 PolarHBondContact O-N 2.83Å; L779-I782 HydrophobicContact CD2-CD1 4.32Å; L779-I782 PolarHBondContact O-N 2.75Å; I782-L784 PolarHBondContact O-N 3.23Å; I782-Y785 PolarHBondContact O-N 3.49Å; I782-C786 VanDerWaalsContact O-CB 3.28Å; I782-C786 WeakPolarHBondContact O-CB 3.38Å; I782-C786 PolarHBondContact O-N 3.27Å; I782-C786 PolarHBondContact O-SG 2.8Å; I782-L872 HydrophobicContact CB-CD1 4.47Å; I782-L872 HydrophobicContact CG1-CD1 4.4Å; I782-L872 HydrophobicContact CG2-CD1 4.25Å; I782-A875 HydrophobicContact CG1-CB 3.9Å; I782-V876 HydrophobicContact CD1-CG2 4.34Å; I782-T879 HydrophobicContact CD1-CG2 4.01Å; I782-T879 VanDerWaalsContact CD1-OG1 3.25Å; I782-T879 WeakPolarHBondContact CD1-OG1 3.31Å
783A92.5Very high92.2Very high60 Ų6052.3 Ų52.350%0.49627%0.266SS..Hα-helixtrans-59.5-45.4178.700000112.2L779 Q780 R781 H787L779-A783 PolarHBondContact O-N 3.07Å; Q780-A783 PolarHBondContact O-N 2.75Å; R781-A783 VanDerWaalsContact C-N 3.33Å; R781-A783 PolarHBondContact O-N 3.01Å; A783-H787 PolarHBondContact O-N 2.67Å
784L93.4Very high91.3Very high89 Ų8952.8 Ų52.847%0.46627%0.266SS..Hα-helixtrans-60.3-49176.6178.465.6000112Q780 R781 I782 H787 Q788Q780-L784 WeakPolarHBondContact O-CB 3.39Å; Q780-L784 PolarHBondContact O-N 2.78Å; R781-L784 PolarHBondContact O-N 3.08Å; I782-L784 PolarHBondContact O-N 3.23Å; L784-H787 WeakPolarHBondContact O-CB 3.46Å; L784-H787 PolarHBondContact O-N 3.45Å; L784-Q788 WeakPolarHBondContact O-CG 3.28Å; L784-Q788 PolarHBondContact O-N 3.33Å
785Y96.1Very high89.6Confident43 Ų4352.7 Ų52.717%0.16927%0.268CS..Hα-helixtrans-73.9-31.9-176.2-61-37.9000112.6R781 I782 H787 Q788 L789 N871 A875R781-Y785 HydrophobicContact CB-CD2 4.14Å; R781-Y785 HydrophobicContact CB-CE2 3.84Å; R781-Y785 HydrophobicContact CG-CE2 4.37Å; R781-Y785 WeakPolarHBondContact O-CB 3.47Å; R781-Y785 WeakPolarHBondContact O-CD2 3.35Å; R781-Y785 VanDerWaalsContact O-CG 3.25Å; R781-Y785 PolarHBondContact O-N 3.23Å; I782-Y785 PolarHBondContact O-N 3.49Å; Y785-H787 VanDerWaalsContact C-N 3.28Å; Y785-H787 PolarHBondContact O-N 2.94Å; Y785-Q788 PolarHBondContact O-N 3.03Å; Y785-L789 VanDerWaalsContact O-CB 3.26Å; Y785-L789 WeakPolarHBondContact O-CB 3.5Å; Y785-L789 PolarHBondContact O-N 3Å; Y785-N871 HydrophobicContact CD1-CB 3.85Å; Y785-N871 VanDerWaalsContact CD2-C 3.49Å; Y785-N871 HydrophobicContact CD2-CB 4.01Å; Y785-N871 VanDerWaalsContact CD2-O 3.23Å; Y785-N871 WeakPolarHBondContact CD2-O 3.41Å; Y785-N871 HydrophobicContact CE1-CB 3.8Å; Y785-N871 HydrophobicContact CE2-CB 3.93Å; Y785-N871 WeakPolarHBondContact CE2-O 3.37Å; Y785-N871 HydrophobicContact CG-CB 3.97Å; Y785-A875 HydrophobicContact CD2-CB 3.82Å; Y785-A875 HydrophobicContact CE2-CB 4.05Å
786C93.9Very high87Confident8 Ų859.6 Ų59.65%0.05430%0.298CS..Hα-helixtrans-61-38.3167.3-75.40000111.6A749 I782 N790A749-C786 HydrophobicContact CB-CB 4.2Å; I782-C786 VanDerWaalsContact O-CB 3.28Å; I782-C786 WeakPolarHBondContact O-CB 3.38Å; I782-C786 PolarHBondContact O-N 3.27Å; I782-C786 PolarHBondContact O-SG 2.8Å; C786-N790 WeakPolarHBondContact O-CB 2.96Å; C786-N790 PolarHBondContact O-N 2.8Å; C786-N790 VanDerWaalsContact O-N 3.13Å; C786-N790 PolarHBondContact O-ND2 3.24Å
787H89Confident84.6Confident118 Ų11859.2 Ų59.255%0.54630%0.301SS..Hα-helixtrans-69.4-45.8175.3-173.567.6000111.9A783 L784 Y785 L789 N790 I791A783-H787 PolarHBondContact O-N 2.67Å; L784-H787 WeakPolarHBondContact O-CB 3.46Å; L784-H787 PolarHBondContact O-N 3.45Å; Y785-H787 VanDerWaalsContact C-N 3.28Å; Y785-H787 PolarHBondContact O-N 2.94Å; H787-L789 VanDerWaalsContact C-N 3.34Å; H787-L789 PolarHBondContact O-N 3.22Å; H787-N790 WeakPolarHBondContact O-CB 3.44Å; H787-N790 PolarHBondContact O-N 3.5Å; H787-N790 VanDerWaalsContact O-N 3.16Å; H787-I791 WeakPolarHBondContact NE2-CD1 3.36Å; H787-I791 WeakPolarHBondContact O-CG1 3.39Å; H787-I791 PolarHBondContact O-N 3.48Å
788Q89.2Confident81.5Confident68 Ų6860.8 Ų60.832%0.31830%0.302SS..Hα-helixtrans-58.2-45.9175.2-72.9-179.3-3.500111.5L784 Y785 N790 I791 C792 A868L784-Q788 WeakPolarHBondContact O-CG 3.28Å; L784-Q788 PolarHBondContact O-N 3.33Å; Y785-Q788 PolarHBondContact O-N 3.03Å; Q788-N790 VanDerWaalsContact C-N 3.28Å; Q788-N790 PolarHBondContact O-N 3.3Å; Q788-I791 WeakPolarHBondContact O-CA 3.31Å; Q788-I791 WeakPolarHBondContact O-CB 3.3Å; Q788-I791 PolarHBondContact O-N 3.49Å; Q788-C792 PolarHBondContact O-N 3.16Å; Q788-C792 PolarHBondContact O-SG 3.14Å; Q788-A868 HydrophobicContact CB-CB 4.5Å
789L91.8Very high78.6Confident0 Ų060.3 Ų60.30%030%0.304CS..Hα-helixtrans-60.5-37.8177.3-168.671.2000112M725 A745 I748 Y785 H787 I791 C792 S793 L865 A868 A869 L872M725-L789 HydrophobicContact CE-CD1 3.79Å; M725-L789 HydrophobicContact CE-CD2 4.04Å; M725-L789 HydrophobicContact CE-CG 3.78Å; M725-L789 HydrophobicContact SD-CD2 3.97Å; M725-L789 HydrophobicContact SD-CG 4.38Å; A745-L789 HydrophobicContact CB-CG 4.41Å; I748-L789 HydrophobicContact CB-CD2 4.35Å; I748-L789 HydrophobicContact CD1-CD2 3.51Å; I748-L789 HydrophobicContact CG2-CD2 3.99Å; Y785-L789 VanDerWaalsContact O-CB 3.26Å; Y785-L789 WeakPolarHBondContact O-CB 3.5Å; Y785-L789 PolarHBondContact O-N 3Å; H787-L789 VanDerWaalsContact C-N 3.34Å; H787-L789 PolarHBondContact O-N 3.22Å; L789-I791 VanDerWaalsContact C-N 3.34Å; L789-C792 PolarHBondContact O-N 2.93Å; L789-S793 WeakPolarHBondContact O-CB 3.34Å; L789-S793 PolarHBondContact O-N 3.43Å; L789-S793 PolarHBondContact O-OG 3.23Å; L789-L865 HydrophobicContact CD1-CD1 3.92Å; L789-A868 HydrophobicContact CB-CB 4.36Å; L789-A868 HydrophobicContact CD1-CB 3.92Å; L789-A869 HydrophobicContact CD1-CB 4.12Å; L789-L872 HydrophobicContact CD2-CD2 4.07Å
790N87.3Confident75.7Confident23 Ų2365.1 Ų65.112%0.12333%0.326CS..Hα-helixtrans-68.5-26.8173-85.9-58.5000114.2A745 K746 A749 C786 H787 Q788 S793 K794A745-N790 VanDerWaalsContact CB-OD1 3.3Å; A745-N790 WeakPolarHBondContact CB-OD1 3.47Å; K746-N790 PolarHBondContact N-OD1 2.91Å; A749-N790 WeakPolarHBondContact CB-ND2 3.39Å; C786-N790 WeakPolarHBondContact O-CB 2.96Å; C786-N790 PolarHBondContact O-N 2.8Å; C786-N790 VanDerWaalsContact O-N 3.13Å; C786-N790 PolarHBondContact O-ND2 3.24Å; H787-N790 WeakPolarHBondContact O-CB 3.44Å; H787-N790 PolarHBondContact O-N 3.5Å; H787-N790 VanDerWaalsContact O-N 3.16Å; Q788-N790 VanDerWaalsContact C-N 3.28Å; Q788-N790 PolarHBondContact O-N 3.3Å; N790-S793 WeakPolarHBondContact CA-OG 3.27Å; N790-S793 PolarHBondContact O-OG 2.88Å; N790-S793 VanDerWaalsContact O-OG 3.13Å; N790-K794 WeakPolarHBondContact O-CD 3.45Å; N790-K794 VanDerWaalsContact O-CG 3.24Å; N790-K794 WeakPolarHBondContact O-CG 3.26Å
791I84.1Confident72.8Confident94 Ų9463.4 Ų63.448%0.48232%0.322SS..Hα-helixtrans-76.2-48.2172.8-66.9166.1000109.1H787 Q788 L789 S793 K794H787-I791 WeakPolarHBondContact NE2-CD1 3.36Å; H787-I791 WeakPolarHBondContact O-CG1 3.39Å; H787-I791 PolarHBondContact O-N 3.48Å; Q788-I791 WeakPolarHBondContact O-CA 3.31Å; Q788-I791 WeakPolarHBondContact O-CB 3.3Å; Q788-I791 PolarHBondContact O-N 3.49Å; L789-I791 VanDerWaalsContact C-N 3.34Å; I791-S793 PolarHBondContact O-N 3.18Å; I791-K794 PolarHBondContact O-N 3.2Å; I791-K794 VanDerWaalsContact O-N 3.09Å
792C85.7Confident69.7Low24 Ų2463.8 Ų63.816%0.16233%0.331CS..Hα-helixtrans-60.6-32.6178.4-62.80000112.5Q788 L789 K794 L865Q788-C792 PolarHBondContact O-N 3.16Å; Q788-C792 PolarHBondContact O-SG 3.14Å; L789-C792 PolarHBondContact O-N 2.93Å; C792-K794 VanDerWaalsContact C-N 3.34Å; C792-L865 HydrophobicContact CB-CB 4.42Å; C792-L865 HydrophobicContact CB-CD1 3.74Å
793S83.5Confident66.8Low4 Ų467.9 Ų67.93%0.02837%0.374CS..THydrogen-bonded Turntrans-73.8-21.8177.166.80000114.1I742 A745 L789 N790 I791I742-S793 WeakPolarHBondContact CG1-O 3.41Å; A745-S793 WeakPolarHBondContact CB-OG 3.33Å; L789-S793 WeakPolarHBondContact O-CB 3.34Å; L789-S793 PolarHBondContact O-N 3.43Å; L789-S793 PolarHBondContact O-OG 3.23Å; N790-S793 WeakPolarHBondContact CA-OG 3.27Å; N790-S793 PolarHBondContact O-OG 2.88Å; N790-S793 VanDerWaalsContact O-OG 3.13Å; I791-S793 PolarHBondContact O-N 3.18Å
794K74.8Confident64.2Low125 Ų12568.5 Ų68.554%0.54339%0.386SS..THydrogen-bonded Turntrans-90.7-5.5-176.3-74.9175.2-172.7177.70114.4I742 N790 I791 C792 K796I742-K794 HydrophobicContact CD1-CG 4.23Å; I742-K794 HydrophobicContact CG1-CG 4.13Å; N790-K794 WeakPolarHBondContact O-CD 3.45Å; N790-K794 VanDerWaalsContact O-CG 3.24Å; N790-K794 WeakPolarHBondContact O-CG 3.26Å; I791-K794 PolarHBondContact O-N 3.2Å; I791-K794 VanDerWaalsContact O-N 3.09Å; C792-K794 VanDerWaalsContact C-N 3.34Å; K794-K796 PolarHBondContact O-N 3.37Å
795V57.5Low61.2Low82 Ų8271.4 Ų71.450%0.49740%0.397SS..  trans-59.9103.4-178.1-174.40000108.2A797V795-A797 PolarHBondContact O-N 3.46Å
796K42.4Very low58.3Low145 Ų14574.2 Ų74.263%0.6342%0.415SS*.  trans-80.6103.5-173.3-158.4-175.9-178.7-158.30106.6K794 E798K794-K796 PolarHBondContact O-N 3.37Å; K796-E798 HydrophobicContact CD-CG 3.94Å; K796-E798 WeakPolarHBondContact CE-OE1 3.41Å; K796-E798 HydrophobicContact CG-CG 4.09Å; K796-E798 IonicContact NZ-OE1 2.78Å; K796-E798 PolarHBondContact NZ-OE1 2.94Å; K796-E798 PolarHBondContact O-N 3.24Å
797A43.2Very low55.5Low32 Ų3277.9 Ų77.926%0.26443%0.433SS..  trans-67.789.8163.200000107.3V795 V799V795-A797 PolarHBondContact O-N 3.46Å; A797-V799 HydrophobicContact CB-CG2 4.46Å; A797-V799 PolarHBondContact O-N 2.82Å; A797-V799 VanDerWaalsContact O-N 3.16Å
798E31.2Very low52.9Low69 Ų6974.1 Ų74.132%0.32242%0.418SS..  trans-75.2100.9167.1-75.8-164.116800108.2K796 V808 S809K796-E798 HydrophobicContact CD-CG 3.94Å; K796-E798 WeakPolarHBondContact CE-OE1 3.41Å; K796-E798 HydrophobicContact CG-CG 4.09Å; K796-E798 IonicContact NZ-OE1 2.78Å; K796-E798 PolarHBondContact NZ-OE1 2.94Å; K796-E798 PolarHBondContact O-N 3.24Å; E798-V808 WeakPolarHBondContact O-CA 3.27Å; E798-S809 PolarHBondContact O-N 2.88Å
799V36.5Very low50.2Low36 Ų3673 Ų7322%0.21842%0.418CS..EExtended strand (participates in β ladder)trans-89.8110.7175.1-179.60000108.1I663 A797 L806 V808I663-V799 HydrophobicContact CG2-CB 3.44Å; I663-V799 VanDerWaalsContact CG2-CB 3.44Å; I663-V799 HydrophobicContact CG2-CG1 4.01Å; I663-V799 HydrophobicContact CG2-CG2 3.35Å; A797-V799 HydrophobicContact CB-CG2 4.46Å; A797-V799 PolarHBondContact O-N 2.82Å; A797-V799 VanDerWaalsContact O-N 3.16Å; V799-L806 HydrophobicContact CG1-CB 4.36Å; V799-L806 HydrophobicContact CG1-CD2 3.39Å; V799-L806 HydrophobicContact CG1-CG 4.46Å; V799-V808 HydrophobicContact CG2-CG2 4.23Å
800Q32Very low47.3Very low103 Ų10376.6 Ų76.648%0.48145%0.454SS..EExtended strand (participates in β ladder)trans-99.6126.6168-67.5-174.612.300109.2L802 I807Q800-L802 HydrophobicContact CB-CD1 4.26Å; Q800-L802 PolarHBondContact O-N 3.36Å; Q800-I807 PolarHBondContact N-O 3.39Å; Q800-I807 PolarHBondContact O-N 3.35Å
801N34.1Very low44.4Very low104 Ų10481 Ų8156%0.55648%0.482SS*.EExtended strand (participates in β ladder)trans-88.8102.2173.8-172.6-15.7000108.4G804N801-G804 PolarHBondContact OD1-N 2.9Å
802L30.3Very low41.8Very low110 Ų11079.7 Ų79.758%0.57649%0.492SS*.EExtended strand (participates in β ladder)trans-110.7111.5165.1-90.694.5000108.8Q800 G804 I807Q800-L802 HydrophobicContact CB-CD1 4.26Å; Q800-L802 PolarHBondContact O-N 3.36Å; L802-G804 PolarHBondContact O-N 2.82Å; L802-I807 HydrophobicContact CB-CD1 4.24Å
803G34.2Very low39.1Very low89 Ų8985.4 Ų85.492%0.91853%0.526SS*.THydrogen-bonded Turntrans73.723.6165.100000116.3
804G37.2Very low36.2Very low73 Ų7393.5 Ų93.575%0.75356%0.564SS**THydrogen-bonded Turntrans90-0178.400000114.5N801 L802N801-G804 PolarHBondContact OD1-N 2.9Å; L802-G804 PolarHBondContact O-N 2.82Å
805E30.9Very low33.8Very low150 Ų15092 Ų9270%0.70157%0.568SS**EExtended strand (participates in β ladder)trans-112.7130.9173.8-156.6169.7-171.300109I807E805-I807 PolarHBondContact O-N 2.71Å
806L34.9Very low32.2Very low102 Ų10293.4 Ų93.453%0.53458%0.578SS.*EExtended strand (participates in β ladder)trans-79109.7-178-69.7162.1000109A664 V799A664-L806 HydrophobicContact CB-CD2 3.87Å; V799-L806 HydrophobicContact CG1-CB 4.36Å; V799-L806 HydrophobicContact CG1-CD2 3.39Å; V799-L806 HydrophobicContact CG1-CG 4.46Å
807I35.8Very low31.3Very low85 Ų8595.2 Ų95.244%0.43659%0.586SS.*EExtended strand (participates in β ladder)trans-103.6114.8177.5-54.1179.4000108.7Q800 L802 E805Q800-I807 PolarHBondContact N-O 3.39Å; Q800-I807 PolarHBondContact O-N 3.35Å; L802-I807 HydrophobicContact CB-CD1 4.24Å; E805-I807 PolarHBondContact O-N 2.71Å
808V34.8Very low30.4Very low38 Ų3899.8 Ų99.823%0.2361%0.611CS.*EExtended strand (participates in β ladder)trans-92.1109.9174.7-173.80000109.1E798 V799E798-V808 WeakPolarHBondContact O-CA 3.27Å; V799-V808 HydrophobicContact CG2-CG2 4.23Å
809S31.9Very low30Very low46 Ų46102.5 Ų102.532%0.32263%0.632SS.*  trans-94.5104.6174.956.20000110.3E798 T811E798-S809 PolarHBondContact O-N 2.88Å; S809-T811 PolarHBondContact O-N 3.24Å
810G30.2Very low29.4Very low74 Ų74109.5 Ų109.576%0.76366%0.66SS**  trans-74.4108.117100000111.1G812G810-G812 PolarHBondContact O-N 3.34Å
811T28Very low29.1Very low115 Ų115115.3 Ų115.371%0.70668%0.679SS**  trans-76.8109.9163.952.70000108.6S809 V813S809-T811 PolarHBondContact O-N 3.24Å; T811-V813 PolarHBondContact O-N 3.13Å
812G28.6Very low28.5Very low68 Ų68118.6 Ų118.670%0.70169%0.691SS**  trans-51.2134.3168.900000110.5G810 Q814G810-G812 PolarHBondContact O-N 3.34Å; G812-Q814 PolarHBondContact O-N 3.44Å
813V28.7Very low28.2Very low144 Ų144119.2 Ų119.287%0.87370%0.699SS**  trans-54.1102.8178.2-176.70000108.7T811 S815T811-V813 PolarHBondContact O-N 3.13Å; V813-S815 PolarHBondContact O-N 3.11Å; V813-S815 VanDerWaalsContact O-N 3.11Å
814Q24Very low27.6Very low174 Ų174121.9 Ų121.981%0.81369%0.692SS**  trans-65.3111.5158.7-83.3-174.4-1200105.9G812 T816G812-Q814 PolarHBondContact O-N 3.44Å; Q814-T816 PolarHBondContact O-N 3.09Å
815S23.6Very low27Very low92 Ų92123.5 Ų123.564%0.64369%0.691SS**  trans-56.686.7170.9-176.60000109.3V813 F817V813-S815 PolarHBondContact O-N 3.11Å; V813-S815 VanDerWaalsContact O-N 3.11Å; S815-F817 VanDerWaalsContact C-N 3.34Å; S815-F817 PolarHBondContact O-N 2.92Å; S815-F817 VanDerWaalsContact O-N 3.15Å
816T23.9Very low26.7Very low113 Ų113123.6 Ų123.669%0.69370%0.696SS**  trans-75.798160.452.20000105.8Q814 T818Q814-T816 PolarHBondContact O-N 3.09Å; T816-T818 PolarHBondContact O-N 3.32Å; T816-T818 PolarHBondContact O-OG1 3.17Å
817F22.7Very low26.2Very low183 Ų183125.4 Ų125.480%0.80371%0.712SS**  trans-50.888.4162-94.1-101.8000108.7S815S815-F817 VanDerWaalsContact C-N 3.34Å; S815-F817 PolarHBondContact O-N 2.92Å; S815-F817 VanDerWaalsContact O-N 3.15Å
818T24.2Very low25.8Very low128 Ų128128.9 Ų128.979%0.78573%0.729SS**  trans-89.9116.2162.97.40000107.5T816T816-T818 PolarHBondContact O-N 3.32Å; T816-T818 PolarHBondContact O-OG1 3.17Å
819T23.2Very low25.3Very low126 Ų126134.4 Ų134.477%0.77376%0.758SS**  trans-45.9132.3-170.4-27.50000113.7Y821T819-Y821 PolarHBondContact O-N 3.1Å
820F24.4Very low24.9Very low183 Ų183135.7 Ų135.780%0.80378%0.778SS**  trans-52.5119.5168-73.3-99.1000110E822F820-E822 PolarHBondContact O-N 3.44Å
821Y25.9Very low24.6Very low224 Ų224135.8 Ų135.888%0.87878%0.779SS**  trans-78.1105.1149.2-81.1-79.6000106T819 V823T819-Y821 PolarHBondContact O-N 3.1Å; Y821-V823 PolarHBondContact O-N 3.32Å
822E21.7Very low24.5Very low173 Ų173141.8 Ų141.881%0.80879%0.789SS**  trans-48.2109.9165-78.8171.6142.800108.4F820F820-E822 PolarHBondContact O-N 3.44Å
823V24.5Very low24.3Very low124 Ų124143.7 Ų143.775%0.75280%0.798SS**  trans-84.9105153.6-179.10000103.9Y821 C825Y821-V823 PolarHBondContact O-N 3.32Å; V823-C825 PolarHBondContact O-N 2.84Å
824D21.6Very low24.2Very low144 Ų144141.5 Ų141.577%0.7779%0.789SS**  trans-48.7104.1173.2-75.2-44000109.5
825C24.7Very low24.2Very low108 Ų108142.3 Ų142.373%0.7379%0.793SS**  trans-104.599.4171.1-77.60000107.2V823 V827V823-C825 PolarHBondContact O-N 2.84Å; C825-V827 PolarHBondContact O-N 3.38Å; C825-V827 VanDerWaalsContact O-N 3.15Å
826D24.2Very low24.3Very low151 Ų151145.4 Ų145.481%0.80780%0.801SS**  trans-51.5117.4171.2-79.9-42.1000110.5I828D826-I828 PolarHBondContact O-N 3.14Å
827V24.7Very low24.2Very low141 Ų141144.6 Ų144.686%0.85580%0.801SS**  trans-69.197.7174.6179.10000108C825C825-V827 PolarHBondContact O-N 3.38Å; C825-V827 VanDerWaalsContact O-N 3.15Å
828I27.5Very low24.2Very low158 Ų158142 Ų14281%0.8180%0.799SS**  trans-93.2105.4167.2-58.9-174.5000108.9D826D826-I828 PolarHBondContact O-N 3.14Å
829D23.2Very low24.1Very low154 Ų154143.7 Ų143.782%0.82480%0.798SS**  trans-58.4138.4170.9-159.92.8000111.8
830G24.5Very low24Very low72 Ų72144.5 Ų144.574%0.74280%0.797SS**  trans159.881.2179.800000114.9
831G23.3Very low24Very low77 Ų77141.7 Ų141.779%0.79480%0.797SS**  trans-57.2132.7-171.700000118
832R25.1Very low23.8Very low240 Ų240137.5 Ų137.591%0.90680%0.795SS**  trans-170.766.4132.1-116.7-179.1175.8176.9-1109.4S834R832-S834 PolarHBondContact O-N 2.83Å
833A25.2Very low23.9Very low109 Ų109135.3 Ų135.390%0.90180%0.797SS**  trans-8482.516800000109.1Q835A833-Q835 PolarHBondContact O-N 3.28Å
834S26Very low24Very low97 Ų97134.3 Ų134.368%0.67880%0.802SS**  trans-83106.4164.3-71.50000108.6R832R832-S834 PolarHBondContact O-N 2.83Å
835Q24.6Very low23.9Very low191 Ų191136.6 Ų136.689%0.89381%0.808SS**  trans48.772.2152.3-59178.7-0.600116.3A833A833-Q835 PolarHBondContact O-N 3.28Å
836L25.7Very low23.9Very low157 Ų157135.3 Ų135.382%0.82281%0.813SS**  trans-114.9108.2157.6-83.6159.8000107.7T838L836-T838 PolarHBondContact O-N 3.32Å
837S22.4Very low23.9Very low97 Ų97132.8 Ų132.868%0.67881%0.813SS**  trans-65.9103.7179-167.10000109.8H839S837-H839 VanDerWaalsContact C-N 3.28Å; S837-H839 PolarHBondContact O-N 3.06Å; S837-H839 VanDerWaalsContact O-N 3.11Å; S837-H839 PolarHBondContact OG-CD2 3.06Å; S837-H839 PolarHBondContact OG-NE2 2.87Å
838T22.7Very low24.1Very low127 Ų127132 Ų13278%0.77981%0.812SS**  trans-77.678.6166.848.60000108.8L836 L840L836-T838 PolarHBondContact O-N 3.32Å; T838-L840 PolarHBondContact O-N 2.86Å
839H21.3Very low24Very low164 Ų164133.1 Ų133.176%0.75982%0.817SS**  trans-79.893.2159.9-78.9-66.5000108.2S837S837-H839 VanDerWaalsContact C-N 3.28Å; S837-H839 PolarHBondContact O-N 3.06Å; S837-H839 VanDerWaalsContact O-N 3.11Å; S837-H839 PolarHBondContact OG-CD2 3.06Å; S837-H839 PolarHBondContact OG-NE2 2.87Å
840L22Very low24Very low144 Ų144129 Ų12975%0.75481%0.811SS**  trans-60.1123.6154.7-90.9120.5000107.4T838 T842T838-L840 PolarHBondContact O-N 2.86Å; L840-T842 PolarHBondContact O-N 3.36Å
841P23.8Very low24.2Very low123 Ų123132 Ų13280%0.79982%0.821SS**  trans-67.6108.9170.5-5.420.5000107.3C843P841-C843 PolarHBondContact O-N 3.18Å
842T21.5Very low24.4Very low137 Ų137131.2 Ų131.284%0.8481%0.812SS**  trans-71.1116.5170.4-4.50000106.8L840 A844L840-T842 PolarHBondContact O-N 3.36Å; T842-A844 PolarHBondContact O-N 3.01Å; T842-A844 VanDerWaalsContact O-N 3.12Å
843C23.1Very low24.8Very low126 Ų126124 Ų12485%0.85180%0.799SS**  trans-59115.8168.5-670000107.9P841 E845P841-C843 PolarHBondContact O-N 3.18Å; C843-E845 PolarHBondContact O-N 3.4Å
844A26.3Very low25.4Very low103 Ų103122 Ų12285%0.85178%0.778SS**  trans-63121.3-178.100000110.7T842T842-A844 PolarHBondContact O-N 3.01Å; T842-A844 VanDerWaalsContact O-N 3.12Å
845E21.2Very low26.1Very low192 Ų192122 Ų12290%0.89777%0.77SS**  trans-70.7132.8165.3-75.2178.4142.900110.5C843C843-E845 PolarHBondContact O-N 3.4Å
846G23.2Very low27.4Very low81 Ų81115.6 Ų115.684%0.83575%0.747SS**  trans73.893.2143.200000119
847A25.4Very low29.2Very low98 Ų98110.6 Ų110.681%0.8173%0.725SS**  trans-152149.9146.400000110.4
848P28.3Very low31.5Very low126 Ų126107.9 Ų107.982%0.81870%0.702SS**  trans-88.7158.1-144.633.9-34.9000115.7G850P848-G850 PolarHBondContact O-N 3.15Å
849I25.1Very low34Very low181 Ų181102.7 Ų102.793%0.92867%0.67SS**  trans-45.597.8-179.8-55.4166000111.7
850G23.7Very low36.6Very low68 Ų6899.5 Ų99.570%0.70166%0.658SS**  trans-108.7124.1162.300000108.6P848 G852P848-G850 PolarHBondContact O-N 3.15Å; G850-G852 PolarHBondContact O-N 2.96Å
851S28.1Very low39.5Very low134 Ų13494.2 Ų94.294%0.93763%0.633SS**  trans-57.1101.3175.550.30000111
852G26.9Very low42.4Very low60 Ų6088.5 Ų88.562%0.61960%0.597SS**  trans-143.8106.4178.800000111.7G850G850-G852 PolarHBondContact O-N 2.96Å
853S33.8Very low45.5Very low90 Ų9083.5 Ų83.563%0.62957%0.566SS**  trans41.4108.1150.256.50000120.1D855 S856S853-D855 VanDerWaalsContact C-N 3.28Å; S853-D855 PolarHBondContact O-N 2.84Å; S853-S856 PolarHBondContact O-OG 3.39Å; S853-S856 VanDerWaalsContact O-OG 3.12Å
854S39.2Very low48.6Very low65 Ų6580.3 Ų80.346%0.45555%0.545SS..THydrogen-bonded Turntrans-57.8-21.3172.8430000116.6S856S854-S856 VanDerWaalsContact C-N 3.3Å; S854-S856 PolarHBondContact O-N 3.43Å
855D40.2Very low51.7Low98 Ų9875.9 Ų75.952%0.52451%0.507SS..THydrogen-bonded Turntrans-70.3-25.7-174.1-64.1-20.6000113S853 S857S853-D855 VanDerWaalsContact C-N 3.28Å; S853-D855 PolarHBondContact O-N 2.84Å; D855-S857 VanDerWaalsContact C-N 3.28Å; D855-S857 PolarHBondContact O-N 3.48Å; D855-S857 VanDerWaalsContact O-N 3.16Å
856S51.2Low54.9Low56 Ų5666.8 Ų66.839%0.39246%0.464SS..Hα-helixtrans-59.7-28.8-178.357.30000115.1S853 S854 M858 D860S853-S856 PolarHBondContact O-OG 3.39Å; S853-S856 VanDerWaalsContact O-OG 3.12Å; S854-S856 VanDerWaalsContact C-N 3.3Å; S854-S856 PolarHBondContact O-N 3.43Å; S856-M858 PolarHBondContact O-N 2.87Å; S856-D860 PolarHBondContact O-N 2.93Å; S856-D860 VanDerWaalsContact O-N 3.13Å
857S64.4Low58.2Low53 Ų5365.8 Ų65.837%0.37144%0.438SS..Hα-helixtrans-73-29.7-170.389.50000113.9D855 S861D855-S857 VanDerWaalsContact C-N 3.28Å; D855-S857 PolarHBondContact O-N 3.48Å; D855-S857 VanDerWaalsContact O-N 3.16Å; S857-S861 PolarHBondContact O-N 3.48Å; S857-S861 VanDerWaalsContact O-N 3.12Å
858M69.2Low61.4Low39 Ų3961.3 Ų61.319%0.19240%0.401CS..Hα-helixtrans-78.6-38.8-177.4-163.4169.1-72.800110.9I671 M672 L675 S856 S861 A862I671-M858 HydrophobicContact CG2-CE 3.73Å; I671-M858 HydrophobicContact CG2-SD 3.76Å; M672-M858 HydrophobicContact CE-CG 4.37Å; M672-M858 HydrophobicContact SD-CG 3.57Å; M672-M858 VanDerWaalsContact SD-CG 3.57Å; M672-M858 HydrophobicContact SD-SD 3.57Å; L675-M858 HydrophobicContact CD2-CB 4.33Å; L675-M858 HydrophobicContact CD2-CG 4.23Å; L675-M858 HydrophobicContact CD2-SD 3.86Å; S856-M858 PolarHBondContact O-N 2.87Å; M858-S861 PolarHBondContact O-N 2.71Å; M858-A862 WeakPolarHBondContact O-CB 3.28Å; M858-A862 PolarHBondContact O-N 3.15Å
859L76.7Confident64.5Low19 Ų1955.3 Ų55.310%0.09936%0.362CS..Hα-helixtrans-58.9-46.7169.2178.364.8000111.4E679 K682 I683 S861 A862 T863E679-L859 HydrophobicContact CB-CD1 4.21Å; E679-L859 HydrophobicContact CG-CD2 4.22Å; K682-L859 HydrophobicContact CB-CD1 3.99Å; K682-L859 HydrophobicContact CD-CD2 3.78Å; I683-L859 HydrophobicContact CD1-CD1 4.31Å; I683-L859 HydrophobicContact CG1-CD1 3.78Å; L859-S861 VanDerWaalsContact C-N 3.32Å; L859-S861 PolarHBondContact O-N 3.04Å; L859-A862 PolarHBondContact O-N 3.35Å; L859-T863 HydrophobicContact CD1-CG2 3.81Å; L859-T863 HydrophobicContact CG-CG2 4.26Å; L859-T863 WeakPolarHBondContact O-CB 3.44Å; L859-T863 VanDerWaalsContact O-CG2 3.27Å; L859-T863 WeakPolarHBondContact O-CG2 3.35Å; L859-T863 PolarHBondContact O-N 3.39Å; L859-T863 PolarHBondContact O-OG1 3.02Å
860D76.4Confident67.8Low96 Ų9648.5 Ų48.551%0.51333%0.326SS..Hα-helixtrans-61.6-39.9178.1-74.5-15.9000112S856 T863 S864S856-D860 PolarHBondContact O-N 2.93Å; S856-D860 VanDerWaalsContact O-N 3.13Å; D860-T863 WeakPolarHBondContact CA-OG1 3.42Å; D860-T863 PolarHBondContact O-OG1 2.88Å; D860-T863 VanDerWaalsContact O-OG1 3.14Å; D860-S864 WeakPolarHBondContact O-CB 3.42Å; D860-S864 PolarHBondContact O-N 2.66Å; D860-S864 PolarHBondContact O-OG 3.11Å
861S81Confident71.2Confident33 Ų3347.3 Ų47.323%0.23130%0.303CS..Hα-helixtrans-66-44.6175.6-171.10000112S857 M858 L859 L865S857-S861 PolarHBondContact O-N 3.48Å; S857-S861 VanDerWaalsContact O-N 3.12Å; M858-S861 PolarHBondContact O-N 2.71Å; L859-S861 VanDerWaalsContact C-N 3.32Å; L859-S861 PolarHBondContact O-N 3.04Å; S861-L865 WeakPolarHBondContact O-CB 3.33Å; S861-L865 PolarHBondContact O-N 3.39Å
862A85.2Confident74.4Confident4 Ų440.9 Ų40.93%0.03326%0.258CS..Hα-helixtrans-64.5-49.1179.800000111.8M672 I683 T729 M858 L859 S864 L865 I866M672-A862 HydrophobicContact CE-CB 3.64Å; I683-A862 HydrophobicContact CD1-CB 3.85Å; I683-A862 HydrophobicContact CG1-CB 4.15Å; T729-A862 HydrophobicContact CG2-CB 4.04Å; M858-A862 WeakPolarHBondContact O-CB 3.28Å; M858-A862 PolarHBondContact O-N 3.15Å; L859-A862 PolarHBondContact O-N 3.35Å; A862-S864 PolarHBondContact O-N 3.2Å; A862-L865 WeakPolarHBondContact O-CB 3.26Å; A862-L865 PolarHBondContact O-N 3.07Å; A862-I866 WeakPolarHBondContact O-CD1 3.35Å; A862-I866 VanDerWaalsContact O-CG1 3.24Å; A862-I866 WeakPolarHBondContact O-CG1 3.47Å; A862-I866 PolarHBondContact O-N 2.89Å
863T86.6Confident77.7Confident32 Ų3238 Ų3820%0.19623%0.229CC..Hα-helixtrans-64.6-39.6178.8550000111.6Q686 L859 D860 L865 I866 Q867Q686-T863 HydrophobicContact CG-CG2 4.13Å; L859-T863 HydrophobicContact CD1-CG2 3.81Å; L859-T863 HydrophobicContact CG-CG2 4.26Å; L859-T863 WeakPolarHBondContact O-CB 3.44Å; L859-T863 VanDerWaalsContact O-CG2 3.27Å; L859-T863 WeakPolarHBondContact O-CG2 3.35Å; L859-T863 PolarHBondContact O-N 3.39Å; L859-T863 PolarHBondContact O-OG1 3.02Å; D860-T863 WeakPolarHBondContact CA-OG1 3.42Å; D860-T863 PolarHBondContact O-OG1 2.88Å; D860-T863 VanDerWaalsContact O-OG1 3.14Å; T863-L865 PolarHBondContact O-N 2.79Å; T863-I866 PolarHBondContact O-N 3.06Å; T863-Q867 WeakPolarHBondContact O-CB 3.39Å; T863-Q867 PolarHBondContact O-N 3.47Å
864S87.9Confident80.7Confident59 Ų5936.2 Ų36.241%0.41321%0.212SC..Hα-helixtrans-62.4-41.3173.8-64.60000112.4D860 A862 Q867 A868D860-S864 WeakPolarHBondContact O-CB 3.42Å; D860-S864 PolarHBondContact O-N 2.66Å; D860-S864 PolarHBondContact O-OG 3.11Å; A862-S864 PolarHBondContact O-N 3.2Å; S864-Q867 PolarHBondContact O-N 2.9Å; S864-A868 WeakPolarHBondContact O-CB 3.48Å; S864-A868 PolarHBondContact O-N 3.4Å
865L91.3Very high83.4Confident9 Ų933.1 Ų33.15%0.04719%0.191CC..Hα-helixtrans-63.3-47.4177.2-167.670.4000111.6M725 T729 V741 L789 C792 S861 A862 T863 Q867 A868 A869M725-L865 HydrophobicContact CB-CD2 4.47Å; M725-L865 HydrophobicContact CE-CD1 3.63Å; M725-L865 HydrophobicContact CE-CD2 4.36Å; M725-L865 HydrophobicContact CE-CG 4.24Å; T729-L865 HydrophobicContact CG2-CD2 3.93Å; V741-L865 HydrophobicContact CG1-CD1 4.42Å; V741-L865 HydrophobicContact CG1-CD2 3.88Å; L789-L865 HydrophobicContact CD1-CD1 3.92Å; C792-L865 HydrophobicContact CB-CB 4.42Å; C792-L865 HydrophobicContact CB-CD1 3.74Å; S861-L865 WeakPolarHBondContact O-CB 3.33Å; S861-L865 PolarHBondContact O-N 3.39Å; A862-L865 WeakPolarHBondContact O-CB 3.26Å; A862-L865 PolarHBondContact O-N 3.07Å; T863-L865 PolarHBondContact O-N 2.79Å; L865-Q867 VanDerWaalsContact C-N 3.35Å; L865-A868 PolarHBondContact O-N 3.35Å; L865-A869 WeakPolarHBondContact O-CB 3.5Å; L865-A869 PolarHBondContact O-N 3.22Å
866I90Very high86.1Confident1 Ų128.5 Ų28.51%0.00517%0.166CC..Hα-helixtrans-63-43.6178-62.5158.8000110.4I683 Q686 V687 F690 T726 T729 A862 T863 A868 A869 K870I683-I866 HydrophobicContact CG2-CD1 3.98Å; Q686-I866 HydrophobicContact CB-CB 4.38Å; Q686-I866 HydrophobicContact CB-CD1 4.07Å; Q686-I866 HydrophobicContact CB-CG2 3.9Å; Q686-I866 WeakPolarHBondContact O-CG2 3.39Å; V687-I866 HydrophobicContact CG2-CD1 3.83Å; V687-I866 HydrophobicContact CG2-CG1 4.43Å; F690-I866 HydrophobicContact CB-CG2 3.97Å; T726-I866 HydrophobicContact CG2-CG1 4.24Å; T726-I866 HydrophobicContact CG2-CG2 4.5Å; T729-I866 HydrophobicContact CG2-CD1 4.27Å; T729-I866 HydrophobicContact CG2-CG1 4.07Å; A862-I866 WeakPolarHBondContact O-CD1 3.35Å; A862-I866 VanDerWaalsContact O-CG1 3.24Å; A862-I866 WeakPolarHBondContact O-CG1 3.47Å; A862-I866 PolarHBondContact O-N 2.89Å; T863-I866 PolarHBondContact O-N 3.06Å; I866-A868 PolarHBondContact O-N 2.96Å; I866-A869 PolarHBondContact O-N 3.1Å; I866-K870 WeakPolarHBondContact O-CB 3.42Å; I866-K870 PolarHBondContact O-N 2.73Å
867Q91.2Very high88.2Confident60 Ų6026 Ų2628%0.2815%0.148SC..Hα-helixtrans-65.5-39.5179.9-178.25550.200111.9T863 S864 L865 K870 N871T863-Q867 WeakPolarHBondContact O-CB 3.39Å; T863-Q867 PolarHBondContact O-N 3.47Å; S864-Q867 PolarHBondContact O-N 2.9Å; L865-Q867 VanDerWaalsContact C-N 3.35Å; Q867-K870 PolarHBondContact O-N 2.64Å; Q867-N871 PolarHBondContact NE2-ND2 3.49Å; Q867-N871 PolarHBondContact NE2-OD1 2.86Å; Q867-N871 WeakPolarHBondContact O-CB 3.5Å; Q867-N871 VanDerWaalsContact O-CG 3.24Å; Q867-N871 PolarHBondContact O-N 2.76Å; Q867-N871 PolarHBondContact O-ND2 3.26Å
868A92.1Very high89.7Confident4 Ų425.4 Ų25.43%0.03314%0.141CC..Hα-helixtrans-64.7-43.9173.100000111.7Q788 L789 S864 L865 I866 N871 L872Q788-A868 HydrophobicContact CB-CB 4.5Å; L789-A868 HydrophobicContact CB-CB 4.36Å; L789-A868 HydrophobicContact CD1-CB 3.92Å; S864-A868 WeakPolarHBondContact O-CB 3.48Å; S864-A868 PolarHBondContact O-N 3.4Å; L865-A868 PolarHBondContact O-N 3.35Å; I866-A868 PolarHBondContact O-N 2.96Å; A868-N871 PolarHBondContact O-N 3.37Å; A868-L872 WeakPolarHBondContact O-CB 3.08Å; A868-L872 PolarHBondContact O-N 3.1Å
869A93.7Very high91Very high0 Ų023.6 Ų23.60%013%0.132CC..Hα-helixtrans-62.1-42.9175.700000111.7F690 M722 L789 L865 I866 N871 L872 M873F690-A869 HydrophobicContact CD2-CB 4.22Å; F690-A869 HydrophobicContact CE2-CB 3.86Å; M722-A869 HydrophobicContact CB-CB 4.28Å; M722-A869 HydrophobicContact CG-CB 4.2Å; M722-A869 HydrophobicContact SD-CB 4.31Å; L789-A869 HydrophobicContact CD1-CB 4.12Å; L865-A869 WeakPolarHBondContact O-CB 3.5Å; L865-A869 PolarHBondContact O-N 3.22Å; I866-A869 PolarHBondContact O-N 3.1Å; A869-N871 PolarHBondContact O-N 2.91Å; A869-L872 PolarHBondContact O-N 3.15Å; A869-M873 WeakPolarHBondContact O-CB 3.5Å; A869-M873 PolarHBondContact O-N 3.29Å
870K94.6Very high91.9Very high39 Ų3922.7 Ų22.717%0.1713%0.127CC..Hα-helixtrans-59.6-48.1175-175.3-170.776.3-168.40112.2I689 F690 E693 I866 Q867 L872 M873 N874I689-K870 HydrophobicContact CG2-CD 3.61Å; F690-K870 HydrophobicContact CD2-CB 4.12Å; E693-K870 HydrophobicContact CB-CG 4.28Å; E693-K870 HydrophobicContact CG-CD 4.34Å; E693-K870 HydrophobicContact CG-CG 3.73Å; I866-K870 WeakPolarHBondContact O-CB 3.42Å; I866-K870 PolarHBondContact O-N 2.73Å; Q867-K870 PolarHBondContact O-N 2.64Å; K870-L872 VanDerWaalsContact C-N 3.29Å; K870-L872 PolarHBondContact O-N 3.48Å; K870-M873 WeakPolarHBondContact O-CB 3.3Å; K870-M873 PolarHBondContact O-N 2.96Å; K870-N874 PolarHBondContact O-N 3.48Å
871N94.7Very high92.7Very high42 Ų4222.1 Ų22.123%0.22512%0.12CC..Hα-helixtrans-61.9-40.7179.2-74.7-14.2000111.4Y785 Q867 A868 A869 A875Y785-N871 HydrophobicContact CD1-CB 3.85Å; Y785-N871 VanDerWaalsContact CD2-C 3.49Å; Y785-N871 HydrophobicContact CD2-CB 4.01Å; Y785-N871 VanDerWaalsContact CD2-O 3.23Å; Y785-N871 WeakPolarHBondContact CD2-O 3.41Å; Y785-N871 HydrophobicContact CE1-CB 3.8Å; Y785-N871 HydrophobicContact CE2-CB 3.93Å; Y785-N871 WeakPolarHBondContact CE2-O 3.37Å; Y785-N871 HydrophobicContact CG-CB 3.97Å; Q867-N871 PolarHBondContact NE2-ND2 3.49Å; Q867-N871 PolarHBondContact NE2-OD1 2.86Å; Q867-N871 WeakPolarHBondContact O-CB 3.5Å; Q867-N871 VanDerWaalsContact O-CG 3.24Å; Q867-N871 PolarHBondContact O-N 2.76Å; Q867-N871 PolarHBondContact O-ND2 3.26Å; A868-N871 PolarHBondContact O-N 3.37Å; A869-N871 PolarHBondContact O-N 2.91Å; N871-A875 PolarHBondContact O-N 3.46Å; N871-A875 VanDerWaalsContact O-N 3.11Å
872L97Very high93.3Very high0 Ų021.1 Ų21.10%011%0.113CC..Hα-helixtrans-64.9-45.6174.5-177.657.9000111.8M718 M722 I748 I782 L789 A868 A869 K870 N874 A875 V876M718-L872 HydrophobicContact CE-CD1 3.85Å; M718-L872 HydrophobicContact CE-CD2 4Å; M718-L872 HydrophobicContact CE-CG 4.09Å; M722-L872 HydrophobicContact CE-CG 4.38Å; M722-L872 HydrophobicContact SD-CB 3.81Å; M722-L872 HydrophobicContact SD-CD2 3.8Å; M722-L872 HydrophobicContact SD-CG 3.8Å; I748-L872 HydrophobicContact CG2-CD2 3.33Å; I782-L872 HydrophobicContact CB-CD1 4.47Å; I782-L872 HydrophobicContact CG1-CD1 4.4Å; I782-L872 HydrophobicContact CG2-CD1 4.25Å; L789-L872 HydrophobicContact CD2-CD2 4.07Å; A868-L872 WeakPolarHBondContact O-CB 3.08Å; A868-L872 PolarHBondContact O-N 3.1Å; A869-L872 PolarHBondContact O-N 3.15Å; K870-L872 VanDerWaalsContact C-N 3.29Å; K870-L872 PolarHBondContact O-N 3.48Å; L872-N874 VanDerWaalsContact C-N 3.31Å; L872-N874 PolarHBondContact O-N 3.44Å; L872-A875 WeakPolarHBondContact O-CB 3.49Å; L872-A875 PolarHBondContact O-N 2.86Å; L872-A875 VanDerWaalsContact O-N 3.11Å; L872-V876 HydrophobicContact CD1-CG2 4.38Å; L872-V876 WeakPolarHBondContact O-CG2 3.33Å; L872-V876 PolarHBondContact O-N 3.44Å
873M95.9Very high93.8Very high0 Ų020.9 Ų20.90%011%0.112CC..Hα-helixtrans-53.2-49.7175.8-170.270.176.200111F690 E693 K694 L697 C719 M722 A869 K870 A875 V876 V877F690-M873 HydrophobicContact CE1-CE 4.45Å; F690-M873 HydrophobicContact CE2-CB 4.38Å; F690-M873 HydrophobicContact CE2-CE 3.61Å; F690-M873 HydrophobicContact CZ-CE 3.45Å; F690-M873 VanDerWaalsContact CZ-CE 3.45Å; E693-M873 HydrophobicContact CB-CB 4.31Å; E693-M873 HydrophobicContact CB-CG 4.02Å; K694-M873 HydrophobicContact CB-CE 4.23Å; K694-M873 HydrophobicContact CG-CE 4.25Å; L697-M873 HydrophobicContact CB-SD 4.09Å; L697-M873 HydrophobicContact CD2-SD 3.38Å; L697-M873 WeakPolarHBondContact CD2-SD 3.48Å; L697-M873 HydrophobicContact CG-SD 4.38Å; C719-M873 HydrophobicContact CB-CE 4.23Å; C719-M873 HydrophobicContact CB-SD 4.26Å; M722-M873 HydrophobicContact CB-CE 4.19Å; M722-M873 HydrophobicContact CE-CB 4.15Å; M722-M873 HydrophobicContact CE-CE 3.6Å; M722-M873 HydrophobicContact CE-SD 3.66Å; M722-M873 HydrophobicContact SD-CB 4.29Å; M722-M873 HydrophobicContact SD-CE 4.28Å; A869-M873 WeakPolarHBondContact O-CB 3.5Å; A869-M873 PolarHBondContact O-N 3.29Å; K870-M873 WeakPolarHBondContact O-CB 3.3Å; K870-M873 PolarHBondContact O-N 2.96Å; M873-A875 VanDerWaalsContact C-N 3.34Å; M873-A875 PolarHBondContact O-N 2.89Å; M873-V876 WeakPolarHBondContact O-CB 3.31Å; M873-V876 PolarHBondContact O-N 3.16Å; M873-V876 VanDerWaalsContact O-N 3.16Å; M873-V877 WeakPolarHBondContact O-CG2 3.28Å; M873-V877 PolarHBondContact O-N 3.4Å
874N95.6Very high94.1Very high52 Ų5223.4 Ų23.428%0.27812%0.118SC..Hα-helixtrans-59.6-43177.3-175.7-99000112.5E693 K870 L872 V876 V877 L878E693-N874 WeakPolarHBondContact OE2-CB 3.39Å; E693-N874 PolarHBondContact OE2-ND2 2.81Å; K870-N874 PolarHBondContact O-N 3.48Å; L872-N874 VanDerWaalsContact C-N 3.31Å; L872-N874 PolarHBondContact O-N 3.44Å; N874-V876 VanDerWaalsContact C-N 3.33Å; N874-V876 PolarHBondContact O-N 2.89Å; N874-V877 PolarHBondContact O-N 2.78Å; N874-L878 WeakPolarHBondContact O-CG 3.38Å; N874-L878 PolarHBondContact O-N 3.45Å; N874-L878 WeakPolarHBondContact OD1-CD1 3.46Å
875A96.7Very high94.2Very high0 Ų023.5 Ų23.50%012%0.116CC..Hα-helixtrans-64.3-36.5177.100000112.5R781 I782 Y785 N871 L872 M873 L878 T879R781-A875 HydrophobicContact CB-CB 4.09Å; I782-A875 HydrophobicContact CG1-CB 3.9Å; Y785-A875 HydrophobicContact CD2-CB 3.82Å; Y785-A875 HydrophobicContact CE2-CB 4.05Å; N871-A875 PolarHBondContact O-N 3.46Å; N871-A875 VanDerWaalsContact O-N 3.11Å; L872-A875 WeakPolarHBondContact O-CB 3.49Å; L872-A875 PolarHBondContact O-N 2.86Å; L872-A875 VanDerWaalsContact O-N 3.11Å; M873-A875 VanDerWaalsContact C-N 3.34Å; M873-A875 PolarHBondContact O-N 2.89Å; A875-L878 PolarHBondContact O-N 3.26Å; A875-T879 WeakPolarHBondContact O-CB 3.31Å; A875-T879 PolarHBondContact O-N 2.9Å; A875-T879 PolarHBondContact O-OG1 3.03Å
876V97Very high94.1Very high0 Ų023 Ų230%011%0.114CC..Hα-helixtrans-64.5-47.2174.1172.70000110.7L697 A715 M718 M755 I782 L872 M873 N874 L878 T879 V880L697-V876 HydrophobicContact CD1-CG1 3.98Å; L697-V876 HydrophobicContact CD2-CG1 4.14Å; A715-V876 HydrophobicContact CB-CG1 3.59Å; M718-V876 HydrophobicContact CE-CG2 3.69Å; M718-V876 HydrophobicContact SD-CG2 4.06Å; M755-V876 HydrophobicContact CE-CG1 4.05Å; M755-V876 HydrophobicContact SD-CG1 4.42Å; M755-V876 HydrophobicContact SD-CG2 4.45Å; I782-V876 HydrophobicContact CD1-CG2 4.34Å; L872-V876 HydrophobicContact CD1-CG2 4.38Å; L872-V876 WeakPolarHBondContact O-CG2 3.33Å; L872-V876 PolarHBondContact O-N 3.44Å; M873-V876 WeakPolarHBondContact O-CB 3.31Å; M873-V876 PolarHBondContact O-N 3.16Å; M873-V876 VanDerWaalsContact O-N 3.16Å; N874-V876 VanDerWaalsContact C-N 3.33Å; N874-V876 PolarHBondContact O-N 2.89Å; V876-L878 VanDerWaalsContact C-N 3.32Å; V876-L878 PolarHBondContact O-N 3.43Å; V876-T879 PolarHBondContact O-N 2.9Å; V876-T879 VanDerWaalsContact O-N 3.16Å; V876-V880 WeakPolarHBondContact O-CG2 3.11Å; V876-V880 PolarHBondContact O-N 3.45Å
877V94.3Very high94.1Very high4 Ų423.7 Ų23.72%0.02412%0.119CC..Hα-helixtrans-54.3-48.6175.6175.30000111.4K696 L697 M873 N874 T879 V880 K881K696-V877 HydrophobicContact CB-CG1 4.39Å; K696-V877 HydrophobicContact CB-CG2 4.35Å; L697-V877 HydrophobicContact CB-CG2 3.55Å; L697-V877 HydrophobicContact CD1-CG2 3.85Å; L697-V877 HydrophobicContact CG-CG2 4.26Å; M873-V877 WeakPolarHBondContact O-CG2 3.28Å; M873-V877 PolarHBondContact O-N 3.4Å; N874-V877 PolarHBondContact O-N 2.78Å; V877-T879 VanDerWaalsContact C-N 3.35Å; V877-V880 PolarHBondContact O-N 2.85Å; V877-K881 HydrophobicContact CG1-CD 4.24Å; V877-K881 WeakPolarHBondContact O-CG 3.34Å; V877-K881 PolarHBondContact O-N 3.48Å; V877-K881 VanDerWaalsContact O-N 3.13Å
878L96.6Very high93.8Very high41 Ų4122.3 Ų22.322%0.21511%0.114CC..Hα-helixtrans-66.1-38.2-179.6-68.2170.8000111.8Y778 N874 A875 V876 K881 A882Y778-L878 HydrophobicContact CD1-CB 3.82Å; Y778-L878 HydrophobicContact CD1-CD1 3.96Å; Y778-L878 HydrophobicContact CD1-CG 4.5Å; Y778-L878 HydrophobicContact CD2-CB 3.96Å; Y778-L878 HydrophobicContact CE1-CB 3.88Å; Y778-L878 HydrophobicContact CE1-CD1 3.63Å; Y778-L878 HydrophobicContact CE1-CG 4.22Å; Y778-L878 HydrophobicContact CE2-CB 4.02Å; Y778-L878 HydrophobicContact CG-CB 3.88Å; N874-L878 WeakPolarHBondContact O-CG 3.38Å; N874-L878 PolarHBondContact O-N 3.45Å; N874-L878 WeakPolarHBondContact OD1-CD1 3.46Å; A875-L878 PolarHBondContact O-N 3.26Å; V876-L878 VanDerWaalsContact C-N 3.32Å; V876-L878 PolarHBondContact O-N 3.43Å; L878-K881 PolarHBondContact O-N 3.25Å; L878-A882 WeakPolarHBondContact O-CB 3.46Å; L878-A882 PolarHBondContact O-N 2.91Å
879T96.8Very high93.4Very high0 Ų025.1 Ų25.10%013%0.126CC..Hα-helixtrans-64.9-43.4177.2-61.20000111.8M755 A759 L775 Y778 L779 I782 A875 V876 V877 A882 S883M755-T879 HydrophobicContact CG-CG2 4.3Å; M755-T879 HydrophobicContact SD-CG2 4.07Å; A759-T879 HydrophobicContact CB-CG2 4.11Å; L775-T879 HydrophobicContact CD1-CG2 4.09Å; Y778-T879 WeakPolarHBondContact CB-OG1 3.2Å; L779-T879 HydrophobicContact CD2-CG2 3.63Å; I782-T879 HydrophobicContact CD1-CG2 4.01Å; I782-T879 VanDerWaalsContact CD1-OG1 3.25Å; I782-T879 WeakPolarHBondContact CD1-OG1 3.31Å; A875-T879 WeakPolarHBondContact O-CB 3.31Å; A875-T879 PolarHBondContact O-N 2.9Å; A875-T879 PolarHBondContact O-OG1 3.03Å; V876-T879 PolarHBondContact O-N 2.9Å; V876-T879 VanDerWaalsContact O-N 3.16Å; V877-T879 VanDerWaalsContact C-N 3.35Å; T879-A882 PolarHBondContact O-N 3.45Å; T879-S883 VanDerWaalsContact O-CB 3.22Å; T879-S883 WeakPolarHBondContact O-CB 3.28Å; T879-S883 PolarHBondContact O-N 2.98Å; T879-S883 PolarHBondContact O-OG 3.4Å
880V95.3Very high92.8Very high0 Ų027.4 Ų27.40%014%0.135CC..Hα-helixtrans-59.6-52175.4171.70000110.3E700 I711 I712 A715 V876 V877 A882 S883 Y884 W906E700-V880 HydrophobicContact CG-CB 4.42Å; E700-V880 HydrophobicContact CG-CG1 3.73Å; I711-V880 HydrophobicContact CG2-CG2 4.17Å; I712-V880 HydrophobicContact CD1-CG1 3.52Å; I712-V880 HydrophobicContact CD1-CG2 4.36Å; A715-V880 HydrophobicContact CB-CG2 3.9Å; V876-V880 WeakPolarHBondContact O-CG2 3.11Å; V876-V880 PolarHBondContact O-N 3.45Å; V877-V880 PolarHBondContact O-N 2.85Å; V880-A882 PolarHBondContact O-N 2.7Å; V880-S883 PolarHBondContact O-N 2.83Å; V880-Y884 PolarHBondContact O-N 2.85Å; V880-Y884 VanDerWaalsContact O-N 3.1Å; V880-W906 HydrophobicContact CG1-CH2 4.2Å; V880-W906 HydrophobicContact CG1-CZ3 4.32Å; V880-W906 WeakPolarHBondContact O-CH2 3.43Å
881K93.7Very high92Very high84 Ų8429.1 Ų29.137%0.36514%0.143SC..Hα-helixtrans-59.1-47.3179-73.8177.2177.1174.40112.3E700 V877 L878 Y884 V885E700-K881 VanDerWaalsContact CD-CG 3.49Å; E700-K881 HydrophobicContact CG-CG 3.88Å; E700-K881 WeakPolarHBondContact OE2-CE 3.34Å; V877-K881 HydrophobicContact CG1-CD 4.24Å; V877-K881 WeakPolarHBondContact O-CG 3.34Å; V877-K881 PolarHBondContact O-N 3.48Å; V877-K881 VanDerWaalsContact O-N 3.13Å; L878-K881 PolarHBondContact O-N 3.25Å; K881-Y884 PolarHBondContact O-N 3.29Å; K881-V885 WeakPolarHBondContact O-CG2 3.27Å; K881-V885 PolarHBondContact O-N 3.23Å; K881-V885 VanDerWaalsContact O-N 3.07Å
882A93.7Very high91.1Very high12 Ų1235.7 Ų35.710%0.09917%0.17CC..Hα-helixtrans-67.9-36-179.200000112.3L775 Y778 L878 T879 V880 V885 A886L775-A882 HydrophobicContact CB-CB 4.25Å; L775-A882 HydrophobicContact CD1-CB 3.91Å; Y778-A882 HydrophobicContact CD2-CB 3.77Å; Y778-A882 HydrophobicContact CE2-CB 3.85Å; L878-A882 WeakPolarHBondContact O-CB 3.46Å; L878-A882 PolarHBondContact O-N 2.91Å; T879-A882 PolarHBondContact O-N 3.45Å; V880-A882 PolarHBondContact O-N 2.7Å; A882-V885 PolarHBondContact O-N 2.92Å; A882-A886 VanDerWaalsContact O-CB 3.3Å; A882-A886 WeakPolarHBondContact O-CB 3.3Å; A882-A886 PolarHBondContact O-N 3.34Å
883S94.9Very high90.1Very high0 Ų040 Ų400%020%0.196CC..Hα-helixtrans-64.7-39.3176-610000111.9V762 L775 T879 V880 S887V762-S883 WeakPolarHBondContact CG1-O 3.49Å; L775-S883 WeakPolarHBondContact CD1-OG 3.46Å; T879-S883 VanDerWaalsContact O-CB 3.22Å; T879-S883 WeakPolarHBondContact O-CB 3.28Å; T879-S883 PolarHBondContact O-N 2.98Å; T879-S883 PolarHBondContact O-OG 3.4Å; V880-S883 PolarHBondContact O-N 2.83Å; S883-S887 WeakPolarHBondContact O-CB 3.27Å; S883-S887 PolarHBondContact O-N 2.97Å; S883-S887 PolarHBondContact O-OG 2.94Å
884Y92.5Very high89.1Confident84 Ų8446.2 Ų46.233%0.32922%0.22SC..Hα-helixtrans-63.1-49.4172.2169.9-112.6000111.8W704 V880 K881 A886 S887 T888 W906W704-Y884 AromaticContact CH2-CD1 3.8Å; W704-Y884 HydrophobicContact CH2-CD1 3.8Å; W704-Y884 AromaticContact CH2-CD2 3.28Å; W704-Y884 HydrophobicContact CH2-CD2 3.28Å; W704-Y884 AromaticContact CH2-CE1 3.7Å; W704-Y884 HydrophobicContact CH2-CE1 3.7Å; W704-Y884 AromaticContact CH2-CE2 3.18Å; W704-Y884 HydrophobicContact CH2-CE2 3.18Å; W704-Y884 AromaticContact CH2-CG 3.59Å; W704-Y884 HydrophobicContact CH2-CG 3.59Å; W704-Y884 AromaticContact CH2-CZ 3.39Å; W704-Y884 AromaticContact CZ2-CD1 3.78Å; W704-Y884 HydrophobicContact CZ2-CD1 3.78Å; W704-Y884 AromaticContact CZ2-CD2 3.78Å; W704-Y884 HydrophobicContact CZ2-CD2 3.78Å; W704-Y884 HydrophobicContact CZ2-CE1 4.07Å; W704-Y884 HydrophobicContact CZ2-CE2 4.09Å; W704-Y884 AromaticContact CZ2-CG 3.61Å; W704-Y884 HydrophobicContact CZ2-CG 3.61Å; W704-Y884 AromaticContact CZ3-CD2 3.75Å; W704-Y884 HydrophobicContact CZ3-CD2 3.75Å; W704-Y884 AromaticContact CZ3-CE2 3.6Å; W704-Y884 HydrophobicContact CZ3-CE2 3.6Å; W704-Y884 HydrophobicContact CZ3-CG 4.44Å; V880-Y884 PolarHBondContact O-N 2.85Å; V880-Y884 VanDerWaalsContact O-N 3.1Å; K881-Y884 PolarHBondContact O-N 3.29Å; Y884-A886 VanDerWaalsContact C-N 3.32Å; Y884-A886 PolarHBondContact O-N 3.22Å; Y884-S887 PolarHBondContact O-N 3.26Å; Y884-T888 HydrophobicContact CD2-CG2 3.87Å; Y884-T888 HydrophobicContact CE1-CG2 4.24Å; Y884-T888 HydrophobicContact CE2-CG2 3.3Å; Y884-T888 WeakPolarHBondContact O-CG2 3.39Å; Y884-T888 PolarHBondContact O-N 3.43Å; Y884-T888 PolarHBondContact O-OG1 3.34Å; Y884-W906 HydrophobicContact CD2-CB 4.01Å; Y884-W906 AromaticContact CD2-CD2 3.79Å; Y884-W906 HydrophobicContact CD2-CD2 3.79Å; Y884-W906 AromaticContact CD2-CE3 3.83Å; Y884-W906 HydrophobicContact CD2-CE3 3.83Å; Y884-W906 AromaticContact CD2-CG 3.86Å; Y884-W906 HydrophobicContact CD2-CG 3.86Å; Y884-W906 HydrophobicContact CE2-CB 4.35Å; Y884-W906 HydrophobicContact CG-CD2 4.38Å; Y884-W906 HydrophobicContact CG-CE3 4.21Å
885V90.2Very high87.6Confident61 Ų6145.2 Ų45.237%0.3722%0.223SC..Hα-helixtrans-59.8-43.8178.4175.90000110.9K881 A882 S887 T888 K889K881-V885 WeakPolarHBondContact O-CG2 3.27Å; K881-V885 PolarHBondContact O-N 3.23Å; K881-V885 VanDerWaalsContact O-N 3.07Å; A882-V885 PolarHBondContact O-N 2.92Å; V885-S887 PolarHBondContact O-N 2.91Å; V885-T888 PolarHBondContact O-N 3.14Å; V885-T888 PolarHBondContact O-OG1 3.13Å; V885-K889 WeakPolarHBondContact O-CG 3.45Å; V885-K889 PolarHBondContact O-N 2.94Å
886A90.1Very high85.9Confident0 Ų050.8 Ų50.80%026%0.257CS..Hα-helixtrans-61.2-45.4177.400000112.1V762 C766 C771 L775 A882 Y884 K889 Y890V762-A886 HydrophobicContact CG1-CB 3.71Å; C766-A886 HydrophobicContact CB-CB 4.08Å; C771-A886 VanDerWaalsContact SG-CA 3.6Å; L775-A886 HydrophobicContact CD2-CB 4.06Å; A882-A886 VanDerWaalsContact O-CB 3.3Å; A882-A886 WeakPolarHBondContact O-CB 3.3Å; A882-A886 PolarHBondContact O-N 3.34Å; Y884-A886 VanDerWaalsContact C-N 3.32Å; Y884-A886 PolarHBondContact O-N 3.22Å; A886-K889 PolarHBondContact O-N 3.22Å; A886-Y890 PolarHBondContact O-N 2.91Å; A886-Y890 VanDerWaalsContact O-N 3.11Å
887S90.1Very high83.8Confident15 Ų1554.8 Ų54.811%0.10529%0.29CS..Hα-helixtrans-64.6-41.1179.6-59.90000112.4V762 S883 Y884 V885 Y890 Q891 W906V762-S887 WeakPolarHBondContact CG1-OG 3.43Å; S883-S887 WeakPolarHBondContact O-CB 3.27Å; S883-S887 PolarHBondContact O-N 2.97Å; S883-S887 PolarHBondContact O-OG 2.94Å; Y884-S887 PolarHBondContact O-N 3.26Å; V885-S887 PolarHBondContact O-N 2.91Å; S887-Y890 PolarHBondContact O-N 3.5Å; S887-Q891 PolarHBondContact O-N 3.47Å; S887-Q891 VanDerWaalsContact O-N 3.08Å; S887-W906 PolarHBondContact OG-NE1 3.12Å
888T84.8Confident81.8Confident31 Ų3157.3 Ų57.319%0.1931%0.311CS..Hα-helixtrans-68.9-34.9177.254.80000112.7Y884 V885 Q891 K892Y884-T888 HydrophobicContact CD2-CG2 3.87Å; Y884-T888 HydrophobicContact CE1-CG2 4.24Å; Y884-T888 HydrophobicContact CE2-CG2 3.3Å; Y884-T888 WeakPolarHBondContact O-CG2 3.39Å; Y884-T888 PolarHBondContact O-N 3.43Å; Y884-T888 PolarHBondContact O-OG1 3.34Å; V885-T888 PolarHBondContact O-N 3.14Å; V885-T888 PolarHBondContact O-OG1 3.13Å; T888-Q891 PolarHBondContact O-N 3.34Å; T888-K892 WeakPolarHBondContact O-CG 3.45Å; T888-K892 PolarHBondContact O-N 3Å
889K83.7Confident79.6Confident62 Ų6256.2 Ų56.227%0.2731%0.306SS..Hα-helixtrans-63.4-42.2172.7-72.3-169.7-174.5-166.60111.5P767 D768 C771 V885 A886 K892 V893P767-K889 HydrophobicContact CG-CB 4.36Å; D768-K889 HydrophobicContact CB-CD 3.4Å; D768-K889 VanDerWaalsContact CB-CD 3.4Å; D768-K889 IonicContact OD1-NZ 3.8Å; D768-K889 PolarHBondContact OD1-NZ 2.92Å; D768-K889 IonicContact OD2-NZ 3.73Å; D768-K889 PolarHBondContact OD2-NZ 2.94Å; C771-K889 HydrophobicContact CB-CD 4.09Å; V885-K889 WeakPolarHBondContact O-CG 3.45Å; V885-K889 PolarHBondContact O-N 2.94Å; A886-K889 PolarHBondContact O-N 3.22Å; K889-K892 PolarHBondContact O-N 3.21Å; K889-V893 WeakPolarHBondContact O-CG2 3.49Å; K889-V893 PolarHBondContact O-N 3.22Å
890Y80.7Confident77.6Confident49 Ų4963.6 Ų63.619%0.19235%0.346CS..Hα-helixtrans-60-49.2174.9-178.5-114.2000112.2Q765 A886 S887 K892 V893 Y894 V899Q765-Y890 HydrophobicContact CB-CD1 4.49Å; Q765-Y890 HydrophobicContact CB-CD2 3.98Å; Q765-Y890 HydrophobicContact CB-CE2 4.06Å; Q765-Y890 HydrophobicContact CB-CG 4.18Å; Q765-Y890 WeakPolarHBondContact O-CD2 3.43Å; A886-Y890 PolarHBondContact O-N 2.91Å; A886-Y890 VanDerWaalsContact O-N 3.11Å; S887-Y890 PolarHBondContact O-N 3.5Å; Y890-K892 VanDerWaalsContact C-N 3.32Å; Y890-K892 PolarHBondContact O-N 3.05Å; Y890-V893 PolarHBondContact O-N 3.04Å; Y890-Y894 AromaticContact CD2-CD2 3.33Å; Y890-Y894 HydrophobicContact CD2-CD2 3.33Å; Y890-Y894 AromaticContact CD2-CE2 3.53Å; Y890-Y894 HydrophobicContact CD2-CE2 3.53Å; Y890-Y894 HydrophobicContact CD2-CG 4.45Å; Y890-Y894 AromaticContact CE2-CD2 3.3Å; Y890-Y894 HydrophobicContact CE2-CD2 3.3Å; Y890-Y894 AromaticContact CE2-CE2 3.52Å; Y890-Y894 HydrophobicContact CE2-CE2 3.52Å; Y890-Y894 HydrophobicContact CE2-CG 4.12Å; Y890-Y894 HydrophobicContact CG-CD2 4.21Å; Y890-Y894 WeakPolarHBondContact O-CD2 3.24Å; Y890-Y894 PolarHBondContact O-N 3.11Å; Y890-Y894 VanDerWaalsContact O-N 3.13Å; Y890-V899 HydrophobicContact CD1-CG1 4.43Å; Y890-V899 HydrophobicContact CD1-CG2 3.93Å; Y890-V899 HydrophobicContact CE1-CB 4.37Å; Y890-V899 HydrophobicContact CE1-CG1 4.03Å; Y890-V899 HydrophobicContact CE1-CG2 3.61Å
891Q77.3Confident76Confident75 Ų7568.4 Ų68.435%0.3538%0.379SS..Hα-helixtrans-60.7-37.7178.2-73178.7-3.900113.3S887 T888 V893 G895 V899S887-Q891 PolarHBondContact O-N 3.47Å; S887-Q891 VanDerWaalsContact O-N 3.08Å; T888-Q891 PolarHBondContact O-N 3.34Å; Q891-V893 VanDerWaalsContact C-N 3.34Å; Q891-V893 PolarHBondContact O-N 3.44Å; Q891-G895 VanDerWaalsContact O-CA 3.24Å; Q891-G895 WeakPolarHBondContact O-CA 3.49Å; Q891-G895 PolarHBondContact O-N 2.77Å; Q891-V899 HydrophobicContact CG-CG2 4.41Å
892K76Confident74.9Confident180 Ų18067.1 Ų67.178%0.78338%0.379SS*.Hα-helixtrans-63.8-37177.3-81.3-179.6-178.4176.90113T888 K889 Y890T888-K892 WeakPolarHBondContact O-CG 3.45Å; T888-K892 PolarHBondContact O-N 3Å; K889-K892 PolarHBondContact O-N 3.21Å; Y890-K892 VanDerWaalsContact C-N 3.32Å; Y890-K892 PolarHBondContact O-N 3.05Å
893V76.7Confident74.4Confident91 Ų9168.6 Ų68.655%0.55239%0.387SS*.Hα-helixtrans-81.2-46.4-175.5174.60000111.8P767 K889 Y890 Q891P767-V893 HydrophobicContact CB-CG2 4.18Å; P767-V893 HydrophobicContact CG-CB 4.19Å; P767-V893 HydrophobicContact CG-CG2 3.7Å; K889-V893 WeakPolarHBondContact O-CG2 3.49Å; K889-V893 PolarHBondContact O-N 3.22Å; Y890-V893 PolarHBondContact O-N 3.04Å; Q891-V893 VanDerWaalsContact C-N 3.34Å; Q891-V893 PolarHBondContact O-N 3.44Å
894Y75.1Confident73.9Confident129 Ų12969 Ų6951%0.50639%0.389SS..Hα-helixtrans-97.2-9.9-172.8-60.5-80.3000113.7P767 Y890 A898P767-Y894 HydrophobicContact CB-CE2 4.41Å; Y890-Y894 AromaticContact CD2-CD2 3.33Å; Y890-Y894 HydrophobicContact CD2-CD2 3.33Å; Y890-Y894 AromaticContact CD2-CE2 3.53Å; Y890-Y894 HydrophobicContact CD2-CE2 3.53Å; Y890-Y894 HydrophobicContact CD2-CG 4.45Å; Y890-Y894 AromaticContact CE2-CD2 3.3Å; Y890-Y894 HydrophobicContact CE2-CD2 3.3Å; Y890-Y894 AromaticContact CE2-CE2 3.52Å; Y890-Y894 HydrophobicContact CE2-CE2 3.52Å; Y890-Y894 HydrophobicContact CE2-CG 4.12Å; Y890-Y894 HydrophobicContact CG-CD2 4.21Å; Y890-Y894 WeakPolarHBondContact O-CD2 3.24Å; Y890-Y894 PolarHBondContact O-N 3.11Å; Y890-Y894 VanDerWaalsContact O-N 3.13Å; Y894-A898 VanDerWaalsContact O-CB 3.28Å; Y894-A898 WeakPolarHBondContact O-CB 3.46Å
895G63Low73.4Confident32 Ų3266.3 Ų66.333%0.3338%0.383SS..  trans73.6156.4-176.200000112.6Q891 A897 A898Q891-G895 VanDerWaalsContact O-CA 3.24Å; Q891-G895 WeakPolarHBondContact O-CA 3.49Å; Q891-G895 PolarHBondContact O-N 2.77Å; G895-A897 PolarHBondContact O-N 3.27Å; G895-A897 VanDerWaalsContact O-N 3.1Å; G895-A898 PolarHBondContact O-N 3.48Å; G895-A898 VanDerWaalsContact O-N 3.16Å
896T62.1Low73.2Confident117 Ų11765 Ų6572%0.71837%0.371SS*.G310 helixtrans-58.5-27.3-175.649.10000114V899T896-V899 PolarHBondContact O-N 2.83Å
897A52.7Low72.8Confident83 Ų8370.3 Ų70.369%0.68640%0.395SS*.G310 helixtrans-77.8-20.1-178.600000114.7G895 V899G895-A897 PolarHBondContact O-N 3.27Å; G895-A897 VanDerWaalsContact O-N 3.1Å; A897-V899 VanDerWaalsContact C-N 3.27Å
898A52.4Low72.3Confident58 Ų5876.7 Ų76.748%0.47943%0.425SS..G310 helixtrans-79.2-15.5174.400000112.2Y894 G895 N900Y894-A898 VanDerWaalsContact O-CB 3.28Å; Y894-A898 WeakPolarHBondContact O-CB 3.46Å; G895-A898 PolarHBondContact O-N 3.48Å; G895-A898 VanDerWaalsContact O-N 3.16Å; A898-N900 PolarHBondContact O-N 3Å
899V50.8Low71.5Confident18 Ų1880.2 Ų80.211%0.10944%0.438CS..  trans-99.753.5-175-162.60000109.9Y890 Q891 T896 A897 S901 P902Y890-V899 HydrophobicContact CD1-CG1 4.43Å; Y890-V899 HydrophobicContact CD1-CG2 3.93Å; Y890-V899 HydrophobicContact CE1-CB 4.37Å; Y890-V899 HydrophobicContact CE1-CG1 4.03Å; Y890-V899 HydrophobicContact CE1-CG2 3.61Å; Q891-V899 HydrophobicContact CG-CG2 4.41Å; T896-V899 PolarHBondContact O-N 2.83Å; A897-V899 VanDerWaalsContact C-N 3.27Å; V899-S901 PolarHBondContact O-N 3.24Å; V899-S901 VanDerWaalsContact O-N 3.1Å; V899-P902 HydrophobicContact CG1-CB 3.55Å; V899-P902 HydrophobicContact CG1-CG 4.14Å
900N53Low70.2Confident155 Ų15581.1 Ų81.183%0.82946%0.457SS*.SBendtrans-64.8-10.5176.8-84.9-10.3000113A898A898-N900 PolarHBondContact O-N 3Å
901S61.6Low68.6Low101 Ų10183.1 Ų83.171%0.70648%0.476SS*.SBendtrans-151.687.6170.9-173.40000109.3V899V899-S901 PolarHBondContact O-N 3.24Å; V899-S901 VanDerWaalsContact O-N 3.1Å
902P72.5Confident66.9Low56 Ų5685.3 Ų85.336%0.36449%0.486SS..  trans-66.8150.717027.6-29.8000109.7V899 V904V899-P902 HydrophobicContact CG1-CB 3.55Å; V899-P902 HydrophobicContact CG1-CG 4.14Å; P902-V904 VanDerWaalsContact C-N 3.26Å; P902-V904 PolarHBondContact O-N 3.49Å
903V81.4Confident64.8Low43 Ų4385.7 Ų85.726%0.26149%0.487SS..SBendtrans-59.9-39.6175.3-178.40000111.4L758 A761 V762L758-V903 HydrophobicContact CD2-CG1 4.38Å; L758-V903 WeakPolarHBondContact O-CG1 3.1Å; A761-V903 HydrophobicContact CB-CG1 3.76Å; A761-V903 HydrophobicContact CB-CG2 3.9Å; V762-V903 HydrophobicContact CG2-CB 3.91Å; V762-V903 HydrophobicContact CG2-CG1 3.99Å
904V84.9Confident62.8Low8 Ų889.2 Ų89.25%0.04850%0.495CS..SBendtrans-144.1149.3174.8-71.30000109.6I711 V762 P902 W906I711-V904 HydrophobicContact CD1-CG1 4.12Å; I711-V904 HydrophobicContact CD1-CG2 4.07Å; I711-V904 HydrophobicContact CG1-CG1 4.1Å; V762-V904 HydrophobicContact CG2-CG2 3.9Å; P902-V904 VanDerWaalsContact C-N 3.26Å; P902-V904 PolarHBondContact O-N 3.49Å; V904-W906 HydrophobicContact CG2-CZ2 4.26Å
905S83.1Confident60.7Low29 Ų2988.2 Ų88.220%0.20350%0.504CS..  trans-95.2119.7176.461.30000112.3S707 G708 N709 K907S707-S905 PolarHBondContact O-OG 3.16Å; S707-S905 VanDerWaalsContact O-OG 3.08Å; G708-S905 PolarHBondContact O-N 3.1Å; G708-S905 PolarHBondContact O-OG 3.3Å; N709-S905 WeakPolarHBondContact CB-O 3.41Å; S905-K907 PolarHBondContact O-N 3.17Å
906W86.4Confident59.4Low32 Ų3294.1 Ų94.112%0.12153%0.528CS..  trans-9399.7173-63.992.5000110.2W704 N709 I712 V880 Y884 S887 V904W704-W906 AromaticContact CD2-CE3 3.64Å; W704-W906 HydrophobicContact CD2-CE3 3.64Å; W704-W906 AromaticContact CD2-CZ3 3.87Å; W704-W906 HydrophobicContact CD2-CZ3 3.87Å; W704-W906 AromaticContact CE2-CE3 3.93Å; W704-W906 AromaticContact CE2-CZ3 3.9Å; W704-W906 AromaticContact CE3-CE3 3.74Å; W704-W906 HydrophobicContact CE3-CE3 3.74Å; W704-W906 HydrophobicContact CE3-CZ3 4.43Å; W704-W906 HydrophobicContact CG-CE3 4.12Å; W704-W906 AromaticContact CG-CZ3 4Å; W704-W906 HydrophobicContact CG-CZ3 4Å; W704-W906 HydrophobicContact CH2-CE3 4.46Å; W704-W906 HydrophobicContact CZ2-CE3 4.34Å; W704-W906 HydrophobicContact CZ3-CB 4.46Å; W704-W906 HydrophobicContact CZ3-CE3 4.15Å; W704-W906 AromaticContact NE1-CZ3 3.97Å; N709-W906 VanDerWaalsContact ND2-CE3 3.26Å; N709-W906 WeakPolarHBondContact ND2-CZ3 3.46Å; I712-W906 HydrophobicContact CD1-CH2 4.34Å; I712-W906 HydrophobicContact CD1-CZ3 4.03Å; I712-W906 HydrophobicContact CG1-CZ3 4.39Å; V880-W906 HydrophobicContact CG1-CH2 4.2Å; V880-W906 HydrophobicContact CG1-CZ3 4.32Å; V880-W906 WeakPolarHBondContact O-CH2 3.43Å; Y884-W906 HydrophobicContact CD2-CB 4.01Å; Y884-W906 AromaticContact CD2-CD2 3.79Å; Y884-W906 HydrophobicContact CD2-CD2 3.79Å; Y884-W906 AromaticContact CD2-CE3 3.83Å; Y884-W906 HydrophobicContact CD2-CE3 3.83Å; Y884-W906 AromaticContact CD2-CG 3.86Å; Y884-W906 HydrophobicContact CD2-CG 3.86Å; Y884-W906 HydrophobicContact CE2-CB 4.35Å; Y884-W906 HydrophobicContact CG-CD2 4.38Å; Y884-W906 HydrophobicContact CG-CE3 4.21Å; S887-W906 PolarHBondContact OG-NE1 3.12Å; V904-W906 HydrophobicContact CG2-CZ2 4.26Å
907K79.8Confident57.8Low112 Ų11294 Ų9449%0.48753%0.526SS..EExtended strand (participates in β ladder)trans-116141171.7-66.4173.6-169.4160.60108.2D705 S905D705-K907 HydrophobicContact CB-CB 3.93Å; D705-K907 PolarHBondContact N-O 3.31Å; S905-K907 PolarHBondContact O-N 3.17Å
908M79.5Confident56.8Low149 Ų14998.2 Ų98.273%0.73453%0.529SS*.EExtended strand (participates in β ladder)trans-70139.8169.8-68.7-172.87500108.7K703 W704 A910K703-M908 VanDerWaalsContact O-CA 3.3Å; K703-M908 WeakPolarHBondContact O-CA 3.32Å; W704-M908 HydrophobicContact CZ3-CG 4.42Å; M908-A910 PolarHBondContact O-N 3.04Å
909K69.5Low56.1Low106 Ų106107 Ų10746%0.46155%0.55SS..PPolyproline II helixtrans-56.6133.7168.4-163.8176.6-179.1-171.40107.2K703 P911K703-K909 PolarHBondContact O-N 3.29Å; K909-P911 WeakPolarHBondContact O-CD 3.39Å; K909-P911 VanDerWaalsContact O-N 3.13Å
910A55Low55.2Low81 Ų81114.3 Ų114.367%0.66958%0.583SS**PPolyproline II helixtrans-54.9125.6173.300000106.9M908 E912M908-A910 PolarHBondContact O-N 3.04Å; A910-E912 PolarHBondContact O-N 2.93Å
911P47Very low54.3Low91 Ų91116 Ų11659%0.59158%0.583SS**PPolyproline II helixtrans-55.2132.7175.319.8-28.6000107.6K909 K913 L916K909-P911 WeakPolarHBondContact O-CD 3.39Å; K909-P911 VanDerWaalsContact O-N 3.13Å; P911-K913 PolarHBondContact O-N 3.27Å; P911-K913 VanDerWaalsContact O-N 3.1Å; P911-L916 HydrophobicContact CG-CD1 4.48Å
912E41.9Very low53.4Low120 Ų120117.1 Ų117.156%0.56159%0.588SS**  trans-44.8126.1163.5-70.9-173.3163.300106.7A910 K914A910-E912 PolarHBondContact O-N 2.93Å; E912-K914 VanDerWaalsContact C-N 3.28Å; E912-K914 PolarHBondContact O-N 3.46Å
913K33.3Very low51.8Low189 Ų189123.4 Ų123.482%0.82261%0.612SS**  trans-52.590.6-164.3-69179.9-178.3173.50110.7P911P911-K913 PolarHBondContact O-N 3.27Å; P911-K913 VanDerWaalsContact O-N 3.1Å
914K33.2Very low49.5Very low165 Ų165130.4 Ų130.472%0.71764%0.642SS**  trans-99128.4163.1-71.1-179.7-177.5175.70105.4E912 L916E912-K914 VanDerWaalsContact C-N 3.28Å; E912-K914 PolarHBondContact O-N 3.46Å; K914-L916 PolarHBondContact O-N 2.98Å
915P30.8Very low47.2Very low107 Ų107139.3 Ų139.370%0.69568%0.681SS**  trans-52.7115.2-173.6-25.131.6000111.1V917P915-V917 PolarHBondContact O-N 2.65Å; P915-V917 VanDerWaalsContact O-N 3.13Å
916L37.5Very low44.8Very low157 Ų157147 Ų14782%0.82271%0.714SS**  trans-77.77.6-173.5-137.292.4000113.6P911 K914P911-L916 HydrophobicContact CG-CD1 4.48Å; K914-L916 PolarHBondContact O-N 2.98Å
917V27.9Very low42.2Very low113 Ų113152.6 Ų152.669%0.68575%0.751SS**  trans-128.693.5-177.7-172.30000109P915 R919P915-V917 PolarHBondContact O-N 2.65Å; P915-V917 VanDerWaalsContact O-N 3.13Å; V917-R919 PolarHBondContact O-N 3.02Å
918K31.8Very low39.8Very low172 Ų172159.1 Ų159.175%0.74877%0.773SS**  trans-59.6118.9144.8-81.3-177.5175.5179.20105.4E920K918-E920 PolarHBondContact O-N 3.41Å
919R36.2Very low37.5Very low242 Ų242158.6 Ų158.691%0.91378%0.778SS**  trans-60.287.7172.1-81.2178.1162.5167.8-4.4108.3V917V917-R919 PolarHBondContact O-N 3.02Å
920E33.2Very low35.6Very low173 Ų173165.3 Ų165.381%0.80880%0.8SS**  trans-80.8135.1173.6-78.8-177.8166.100109.9K918K918-E920 PolarHBondContact O-N 3.41Å
921K33.7Very low34.6Very low189 Ų189173.2 Ų173.282%0.82281%0.813SS**  trans-74154.8-173-69.4176.8178.7175.20111.3E923K921-E923 VanDerWaalsContact C-N 3.26Å; K921-E923 PolarHBondContact O-N 2.94Å
922P43.5Very low33.9Very low126 Ų126172.3 Ų172.382%0.81882%0.82SS**THydrogen-bonded Turntrans-76.723.1-159.9-13.630.5000117.4
923E38.4Very low33.6Very low187 Ų187172 Ų17287%0.87483%0.831SS**THydrogen-bonded Turntrans-110.32.2-168.1-69.6-172.2165.700116.7K921K921-E923 VanDerWaalsContact C-N 3.26Å; K921-E923 PolarHBondContact O-N 2.94Å
924E33.3Very low33.5Very low190 Ų190171.2 Ų171.289%0.88883%0.831SS**  trans-116.368.4178.2-68.2-171.7177.400113.3
925F35.6Very low33.5Very low196 Ų196173.4 Ų173.486%0.8684%0.84SS**  trans-117.287.4165.7-96.2-82000110.8
926Q32.7Very low33.9Very low191 Ų191174.9 Ų174.989%0.89384%0.836SS**  trans-161.689.4159-112.3167.562.800111.9
927T32.8Very low34Very low149 Ų149173.9 Ų173.991%0.91483%0.826SS**  trans-161.8129.8140.617.50000111.4
928R29.5Very low35Very low248 Ų248169.9 Ų169.994%0.93680%0.801SS**  trans-80.9119.2-167.9-72.3167.6165.3169.2-4.3111.8
929V30.8Very low35.8Very low138 Ų138163.4 Ų163.484%0.83678%0.777SS**  trans-103.1115.6161.9-179.70000109.7R931V929-R931 PolarHBondContact O-N 3.31Å
930R29.1Very low36.5Very low248 Ų248152.1 Ų152.194%0.93674%0.735SS**  trans-67.5113.5175.7-86.5177.9165169.6-3.6110.2
931R35.3Very low37.5Very low246 Ų246146.6 Ų146.693%0.92871%0.713SS**  trans-86.3124.8169.8-91.7-179.3171.5174.1-2.5111.5V929V929-R931 PolarHBondContact O-N 3.31Å
932G31.9Very low38.4Very low72 Ų72141.8 Ų141.874%0.74269%0.694SS**  trans-68.4144.116700000111.4Q934G932-Q934 PolarHBondContact O-N 2.98Å; G932-Q934 VanDerWaalsContact O-N 3.1Å
933S35.4Very low39.1Very low115 Ų115135.9 Ų135.980%0.80466%0.655SS**  trans-71.194.8-171.655.10000113.3
934Q31.9Very low39.7Very low172 Ų172128.2 Ų128.280%0.80462%0.62SS**  trans-69.1149.8146.8-70.5-160.6-22.200108.5G932 K936G932-Q934 PolarHBondContact O-N 2.98Å; G932-Q934 VanDerWaalsContact O-N 3.1Å; Q934-K936 VanDerWaalsContact C-N 3.28Å; Q934-K936 PolarHBondContact O-N 3.08Å
935K33.3Very low40.7Very low210 Ų210122.2 Ų122.291%0.91360%0.599SS**  trans-55.9100166.2-75.5178.7177.6176.50105.6H937K935-H937 PolarHBondContact O-N 3.36Å
936K38.9Very low41.5Very low139 Ų139116.8 Ų116.860%0.60458%0.577SS**  trans-56.1110.9178.8-84.7-171.8167.7-170.90105.9Q934 I938 E946Q934-K936 VanDerWaalsContact C-N 3.28Å; Q934-K936 PolarHBondContact O-N 3.08Å; K936-I938 HydrophobicContact CB-CD1 4.31Å; K936-I938 HydrophobicContact CB-CG1 3.7Å; K936-I938 HydrophobicContact CD-CD1 4.42Å; K936-I938 HydrophobicContact CD-CG1 4.11Å; K936-I938 PolarHBondContact O-N 3.02Å; K936-E946 IonicContact NZ-OE1 3.45Å; K936-E946 PolarHBondContact NZ-OE1 3.24Å
937H38.6Very low42.3Very low135 Ų135109.7 Ų109.763%0.62554%0.543SS*.  trans-64.6100.5152-173.7-81.6000103.7E29 K935E29-H937 IonicContact OE1-CD2 2.66Å; E29-H937 IonicContact OE1-CE1 3.59Å; E29-H937 IonicContact OE1-NE2 2.74Å; E29-H937 PolarHBondContact OE1-NE2 3Å; K935-H937 PolarHBondContact O-N 3.36Å
938I48.4Very low42.8Very low30 Ų30108.1 Ų108.115%0.15452%0.523CS..  trans-85.3113.9175.8-68.8170.1000103.9T36 K936 Q942 A943T36-I938 HydrophobicContact CG2-CD1 3.95Å; K936-I938 HydrophobicContact CB-CD1 4.31Å; K936-I938 HydrophobicContact CB-CG1 3.7Å; K936-I938 HydrophobicContact CD-CD1 4.42Å; K936-I938 HydrophobicContact CD-CG1 4.11Å; K936-I938 PolarHBondContact O-N 3.02Å; I938-Q942 HydrophobicContact CG2-CB 4.39Å; I938-A943 VanDerWaalsContact CG2-CA 3.47Å; I938-A943 HydrophobicContact CG2-CB 3.37Å; I938-A943 VanDerWaalsContact CG2-N 3.27Å
939S49.5Very low43.4Very low36 Ų3699.4 Ų99.425%0.25250%0.504SS..  trans-58.1142.5173.277.70000108.4V941 Q942 A943S939-V941 PolarHBondContact O-N 3.15Å; S939-V941 VanDerWaalsContact O-N 3.1Å; S939-Q942 WeakPolarHBondContact O-CA 3.17Å; S939-Q942 PolarHBondContact O-N 3.08Å; S939-Q942 WeakPolarHBondContact OG-CB 3.38Å; S939-Q942 PolarHBondContact OG-N 3.1Å; S939-A943 PolarHBondContact O-N 2.95Å
940P51.8Low43.7Very low4 Ų497.8 Ų97.83%0.02649%0.489CS..Hα-helixtrans-51.6-38.2-179.6-29.837.5000112.7E25 L28 E29 V32 A943 L944E25-P940 HydrophobicContact CG-CG 4.21Å; L28-P940 HydrophobicContact CB-CB 3.98Å; E29-P940 HydrophobicContact CB-CG 3.84Å; E29-P940 HydrophobicContact CG-CG 4.36Å; V32-P940 HydrophobicContact CG2-CB 4.14Å; P940-A943 WeakPolarHBondContact O-CB 3.45Å; P940-L944 WeakPolarHBondContact O-CB 3.49Å; P940-L944 VanDerWaalsContact O-CG 3.26Å; P940-L944 WeakPolarHBondContact O-CG 3.27Å; P940-L944 PolarHBondContact O-N 3.41Å
941V52.3Low43.8Very low57 Ų5792.2 Ų92.235%0.34548%0.478SS..Hα-helixtrans-64.6-45.9174.7-175.10000111.8I19 S939 L944 S945I19-V941 HydrophobicContact CD1-CG2 4.12Å; S939-V941 PolarHBondContact O-N 3.15Å; S939-V941 VanDerWaalsContact O-N 3.1Å; V941-L944 PolarHBondContact O-N 3.37Å; V941-S945 WeakPolarHBondContact O-CB 3.48Å; V941-S945 PolarHBondContact O-N 3.28Å; V941-S945 PolarHBondContact O-OG 3.48Å
942Q54Low43.6Very low89 Ų8984.9 Ų84.942%0.41646%0.464SS..Hα-helixtrans-66.2-39.8179.1-170.2172.422.700111.3I938 S939 S945 E946I938-Q942 HydrophobicContact CG2-CB 4.39Å; S939-Q942 WeakPolarHBondContact O-CA 3.17Å; S939-Q942 PolarHBondContact O-N 3.08Å; S939-Q942 WeakPolarHBondContact OG-CB 3.38Å; S939-Q942 PolarHBondContact OG-N 3.1Å; Q942-S945 WeakPolarHBondContact CA-OG 3.45Å; Q942-S945 PolarHBondContact O-N 2.83Å; Q942-S945 PolarHBondContact O-OG 3.04Å; Q942-E946 WeakPolarHBondContact O-CB 3.48Å; Q942-E946 WeakPolarHBondContact O-CG 3.5Å; Q942-E946 PolarHBondContact O-N 3.49Å
943A56.9Low43.6Very low1 Ų193.1 Ų93.11%0.00848%0.48CS..Hα-helixtrans-54.2-57.2169.100000110V32 I938 S939 P940 S945 E946 F947V32-A943 HydrophobicContact CG1-CB 3.38Å; I938-A943 VanDerWaalsContact CG2-CA 3.47Å; I938-A943 HydrophobicContact CG2-CB 3.37Å; I938-A943 VanDerWaalsContact CG2-N 3.27Å; S939-A943 PolarHBondContact O-N 2.95Å; P940-A943 WeakPolarHBondContact O-CB 3.45Å; A943-S945 PolarHBondContact O-N 3.05Å; A943-E946 CarbonylContact O-C 3.19Å; A943-E946 PolarHBondContact O-N 2.79Å; A943-E946 VanDerWaalsContact O-N 3.16Å; A943-F947 HydrophobicContact CB-CD2 4.15Å; A943-F947 HydrophobicContact CB-CE2 3.74Å; A943-F947 WeakPolarHBondContact O-CB 3.43Å; A943-F947 WeakPolarHBondContact O-CD2 3.39Å; A943-F947 WeakPolarHBondContact O-CE2 3.39Å; A943-F947 VanDerWaalsContact O-CG 3.25Å; A943-F947 WeakPolarHBondContact O-CG 3.17Å; A943-F947 PolarHBondContact O-N 3.31Å
944L52.1Low44Very low27 Ų2792 Ų9214%0.14146%0.464CS..Hα-helixtrans-56.6-37.2179.2-72.7167.9000112.6I19 L28 T135 P940 V941 F947 K948I19-L944 HydrophobicContact CD1-CD1 3.85Å; L28-L944 HydrophobicContact CD1-CD1 4.36Å; T135-L944 HydrophobicContact CG2-CD1 4.18Å; P940-L944 WeakPolarHBondContact O-CB 3.49Å; P940-L944 VanDerWaalsContact O-CG 3.26Å; P940-L944 WeakPolarHBondContact O-CG 3.27Å; P940-L944 PolarHBondContact O-N 3.41Å; V941-L944 PolarHBondContact O-N 3.37Å; L944-F947 CarbonylContact O-C 3.59Å; L944-F947 PolarHBondContact O-N 3.1Å; L944-K948 PolarHBondContact O-N 3.09Å
945S54Low44.6Very low64 Ų6487.8 Ų87.845%0.44845%0.446SS..Hα-helixtrans-71.4-41176.872.60000113.3V941 Q942 A943 F947 K948 A949V941-S945 WeakPolarHBondContact O-CB 3.48Å; V941-S945 PolarHBondContact O-N 3.28Å; V941-S945 PolarHBondContact O-OG 3.48Å; Q942-S945 WeakPolarHBondContact CA-OG 3.45Å; Q942-S945 PolarHBondContact O-N 2.83Å; Q942-S945 PolarHBondContact O-OG 3.04Å; A943-S945 PolarHBondContact O-N 3.05Å; S945-F947 PolarHBondContact O-N 3.18Å; S945-K948 PolarHBondContact O-N 3.26Å; S945-A949 PolarHBondContact O-N 3.3Å
946E53Low45.2Very low82 Ų8281 Ų8138%0.38342%0.42SS..Hα-helixtrans-63.4-25.7170.6-72.9-176.4179.900110.3K936 Q942 A943K936-E946 IonicContact NZ-OE1 3.45Å; K936-E946 PolarHBondContact NZ-OE1 3.24Å; Q942-E946 WeakPolarHBondContact O-CB 3.48Å; Q942-E946 WeakPolarHBondContact O-CG 3.5Å; Q942-E946 PolarHBondContact O-N 3.49Å; A943-E946 CarbonylContact O-C 3.19Å; A943-E946 PolarHBondContact O-N 2.79Å; A943-E946 VanDerWaalsContact O-N 3.16Å
947F48Very low45.6Very low42 Ų4277.6 Ų77.618%0.18441%0.409CS..Hα-helixtrans-83.8-37.6175.8-66.2-55.3000114.3R128 L131 A943 L944 S945 M950R128-F947 HydrophobicContact CG-CD1 4.24Å; L131-F947 HydrophobicContact CD1-CD2 4.39Å; L131-F947 HydrophobicContact CD1-CE2 4.18Å; A943-F947 HydrophobicContact CB-CD2 4.15Å; A943-F947 HydrophobicContact CB-CE2 3.74Å; A943-F947 WeakPolarHBondContact O-CB 3.43Å; A943-F947 WeakPolarHBondContact O-CD2 3.39Å; A943-F947 WeakPolarHBondContact O-CE2 3.39Å; A943-F947 VanDerWaalsContact O-CG 3.25Å; A943-F947 WeakPolarHBondContact O-CG 3.17Å; A943-F947 PolarHBondContact O-N 3.31Å; L944-F947 CarbonylContact O-C 3.59Å; L944-F947 PolarHBondContact O-N 3.1Å; S945-F947 PolarHBondContact O-N 3.18Å; F947-M950 PolarHBondContact O-N 3.48Å
948K43.9Very low46Very low116 Ų11674 Ų7450%0.50440%0.395SS..Hα-helixtrans-65.9-34.1174.7-82.4-172.4176.6-178.50112.5S16 L944 S945 M950 D951S16-K948 PolarHBondContact O-NZ 3.36Å; L944-K948 PolarHBondContact O-N 3.09Å; S945-K948 PolarHBondContact O-N 3.26Å; K948-M950 PolarHBondContact O-N 3.3Å; K948-M950 VanDerWaalsContact O-N 3.14Å; K948-D951 PolarHBondContact O-N 3.27Å
949A43.1Very low45.9Very low65 Ų6576.9 Ų76.954%0.53741%0.411SS..THydrogen-bonded Turntrans-68.4-7.5179.500000114.3S945 S952S945-A949 PolarHBondContact O-N 3.3Å; A949-S952 PolarHBondContact O-OG 3.18Å
950M35.7Very low45.6Very low104 Ų10479.9 Ų79.951%0.51242%0.423SS..THydrogen-bonded Turntrans-104-3.4180-71.1-17490.200114.6R128 F947 K948R128-M950 PolarHBondContact NH2-SD 2.92Å; F947-M950 PolarHBondContact O-N 3.48Å; K948-M950 PolarHBondContact O-N 3.3Å; K948-M950 VanDerWaalsContact O-N 3.14Å
951D32.3Very low45.2Very low131 Ų13185.7 Ų85.770%0.70145%0.453SS*.THydrogen-bonded Turntrans-79-8.3172-74-20.6000112.3K948 F953K948-D951 PolarHBondContact O-N 3.27Å; D951-F953 PolarHBondContact O-N 3.47Å
952S31Very low44.6Very low92 Ų9288.1 Ų88.164%0.64346%0.462SS*.THydrogen-bonded Turntrans-8623.3172.3590000113.9A949A949-S952 PolarHBondContact O-OG 3.18Å
953F30.8Very low43.7Very low244 Ų24488 Ų88100%1.0747%0.467SS*.  trans-132.60176-79.2-75.9000113.3D951D951-F953 PolarHBondContact O-N 3.47Å

Retrieved 953 of 953 residues in 671 ms (Link to these results)

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