Q99PJ6_RAT Loading...

RCG38839

May be involved in transcriptional regulation.

AlphaFold DB , UniProt , Accession Q99PJ6, Species RAT (Rattus norvegicus, Rat), Gene Zfp709, Length 736 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
1M34Very low36.7Very low245 Ų245131.1 Ų131.1100%1.20780%0.795SS**  0106.60-89.5-178.3-110.700107.1
2E28.5Very low39.1Very low193 Ų193125 Ų12590%0.90276%0.759SS**  trans-59151.6159.6-73.4172.3132.900110.2
3A32.3Very low41.1Very low90 Ų90121.5 Ų121.574%0.74473%0.727SS**  trans38.596.2148.200000118.1
4L32.7Very low42.9Very low176 Ų176124.3 Ų124.392%0.92173%0.729SS**  -11682.2128-72.6175.4000107.2A6L4-A6 PolarHBondContact O-N 2.88Å
5G28.8Very low44.8Very low83 Ų83123.3 Ų123.386%0.85672%0.719SS**  trans-64.784.5157.600000107.9
6A31.5Very low46.6Very low78 Ų78119.8 Ų119.865%0.64570%0.7SS**  trans-90.8112.6157.300000105.7L4 M8L4-A6 PolarHBondContact O-N 2.88Å; A6-M8 VanDerWaalsContact C-N 3.33Å; A6-M8 PolarHBondContact O-N 3.34Å
7D33.3Very low47.9Very low157 Ų157113.7 Ų113.784%0.8467%0.666SS**  trans-40.693.3165.4-173.729.2000110.2G9D7-G9 PolarHBondContact O-N 3.08Å
8M35.5Very low49.4Very low181 Ų181112.3 Ų112.389%0.89266%0.659SS**  trans-76.379.1167.5-76.5-90.7-77.100105.2A6 S10A6-M8 VanDerWaalsContact C-N 3.33Å; A6-M8 PolarHBondContact O-N 3.34Å; M8-S10 PolarHBondContact O-N 3.21Å
9G40.3Very low50.7Low47 Ų47112.7 Ų112.749%0.48566%0.658SS.*  trans-44.1131.4176.500000109.7D7 V11D7-G9 PolarHBondContact O-N 3.08Å; G9-V11 PolarHBondContact O-N 3.13Å
10S57.2Low51.4Low100 Ų100111.1 Ų111.170%0.69964%0.643SS**  trans-53.9112.9-178.857.40000109.6M8 T12M8-S10 PolarHBondContact O-N 3.21Å; S10-T12 PolarHBondContact O-N 3.35Å; S10-T12 VanDerWaalsContact O-N 3.11Å
11V49.8Very low52.2Low92 Ų92109 Ų10956%0.55863%0.632SS**  trans-69109.1174.5179.40000107.6G9 D15 V16G9-V11 PolarHBondContact O-N 3.13Å; V11-D15 HydrophobicContact CG1-CB 4.21Å; V11-V16 HydrophobicContact CG1-CG1 4.22Å; V11-V16 HydrophobicContact CG1-CG2 3.87Å
12T65.5Low53.2Low58 Ų58102.9 Ų102.936%0.35661%0.608SS.*  trans-84.6165.7175.870.40000110.4S10 E14 D15 V16S10-T12 PolarHBondContact O-N 3.35Å; S10-T12 VanDerWaalsContact O-N 3.11Å; T12-E14 PolarHBondContact O-N 3.24Å; T12-E14 PolarHBondContact OG1-N 3.42Å; T12-D15 WeakPolarHBondContact CB-OD2 3.46Å; T12-D15 PolarHBondContact N-OD2 3.41Å; T12-D15 PolarHBondContact O-N 3.41Å; T12-D15 VanDerWaalsContact O-N 3.15Å; T12-D15 VanDerWaalsContact OG1-CG 3.26Å; T12-D15 PolarHBondContact OG1-N 3.28Å; T12-D15 PolarHBondContact OG1-OD2 3.01Å; T12-V16 VanDerWaalsContact O-CG2 3.23Å; T12-V16 WeakPolarHBondContact O-CG2 3.42Å
13F65Low55Low79 Ų79100 Ų10035%0.34660%0.595SS.*Hα-helixtrans-59.8-33.2175.1-178.9-104.4000112.1D15 V16 A17 M40 T43 F44 L47F13-D15 VanDerWaalsContact C-N 3.28Å; F13-D15 PolarHBondContact O-N 3.03Å; F13-V16 PolarHBondContact O-N 3.03Å; F13-A17 HydrophobicContact CD1-CB 4.33Å; F13-A17 HydrophobicContact CE1-CB 4.15Å; F13-A17 HydrophobicContact CZ-CB 4.5Å; F13-A17 WeakPolarHBondContact O-CB 3.28Å; F13-A17 PolarHBondContact O-N 3.25Å; F13-M40 HydrophobicContact CE1-CE 3.92Å; F13-M40 HydrophobicContact CE2-CE 4.27Å; F13-M40 HydrophobicContact CZ-CE 3.45Å; F13-M40 VanDerWaalsContact CZ-CE 3.45Å; F13-T43 HydrophobicContact CD2-CG2 4.47Å; F13-T43 HydrophobicContact CE2-CG2 4.36Å; F13-F44 HydrophobicContact CD2-CD2 4.2Å; F13-F44 HydrophobicContact CE2-CB 4.08Å; F13-F44 HydrophobicContact CE2-CD2 4.22Å; F13-L47 HydrophobicContact CB-CD1 3.96Å; F13-L47 HydrophobicContact CD2-CD1 3.79Å; F13-L47 HydrophobicContact CG-CD1 4.38Å
14E66.6Low56.7Low161 Ų161100.2 Ų100.275%0.75258%0.58SS**Hα-helixtrans-66.9-28.7178.6-73.7167.6164.900112.4T12 V16T12-E14 PolarHBondContact O-N 3.24Å; T12-E14 PolarHBondContact OG1-N 3.42Å; E14-V16 VanDerWaalsContact C-N 3.35Å
15D71.4Confident59Low110 Ų11095.4 Ų95.459%0.58855%0.55SS*.Hα-helixtrans-73.7-24.6178.6-59.5-49000113.5V11 T12 F13V11-D15 HydrophobicContact CG1-CB 4.21Å; T12-D15 WeakPolarHBondContact CB-OD2 3.46Å; T12-D15 PolarHBondContact N-OD2 3.41Å; T12-D15 PolarHBondContact O-N 3.41Å; T12-D15 VanDerWaalsContact O-N 3.15Å; T12-D15 VanDerWaalsContact OG1-CG 3.26Å; T12-D15 PolarHBondContact OG1-N 3.28Å; T12-D15 PolarHBondContact OG1-OD2 3.01Å; F13-D15 VanDerWaalsContact C-N 3.28Å; F13-D15 PolarHBondContact O-N 3.03Å
16V73.3Confident61.2Low67 Ų6794.9 Ų94.941%0.40654%0.538SS..Hα-helixtrans-111.6-6.2-178.6-98.90000113.3V11 T12 F13 E14 V18 T43 L47V11-V16 HydrophobicContact CG1-CG1 4.22Å; V11-V16 HydrophobicContact CG1-CG2 3.87Å; T12-V16 VanDerWaalsContact O-CG2 3.23Å; T12-V16 WeakPolarHBondContact O-CG2 3.42Å; F13-V16 PolarHBondContact O-N 3.03Å; E14-V16 VanDerWaalsContact C-N 3.35Å; V16-V18 PolarHBondContact O-N 3.3Å; V16-T43 HydrophobicContact CB-CG2 4.04Å; V16-T43 HydrophobicContact CG2-CG2 4.09Å; V16-L47 HydrophobicContact CG2-CD1 4.02Å
17A68.1Low63.4Low16 Ų1698.3 Ų98.313%0.13254%0.544CS..  trans-75.9122.3178.900000111.4F13 N19 M40F13-A17 HydrophobicContact CD1-CB 4.33Å; F13-A17 HydrophobicContact CE1-CB 4.15Å; F13-A17 HydrophobicContact CZ-CB 4.5Å; F13-A17 WeakPolarHBondContact O-CB 3.28Å; F13-A17 PolarHBondContact O-N 3.25Å; A17-N19 PolarHBondContact O-N 3.43Å; A17-M40 HydrophobicContact CB-CE 3.49Å; A17-M40 VanDerWaalsContact CB-CE 3.49Å
18V74.8Confident65.5Low89 Ų8992.1 Ų92.154%0.53951%0.511SS..  trans-85.8106.1168.6-178.80000108.2V16 H36V16-V18 PolarHBondContact O-N 3.3Å; V18-H36 PolarHBondContact O-NE2 3.19Å
19N75.7Confident67.3Low120 Ų12084.9 Ų84.964%0.64248%0.482SS*.  trans-98.6137.1-179.9-65.1-46000110.7A17A17-N19 PolarHBondContact O-N 3.43Å
20F64.1Low68.9Low79 Ų7987.9 Ų87.935%0.34649%0.493SS..  trans-104.1143.5171.2-70.6-75.7000109.6E24 W25 L28 H36F20-E24 WeakPolarHBondContact CA-OE2 3.47Å; F20-E24 HydrophobicContact CB-CB 4.14Å; F20-E24 HydrophobicContact CD1-CB 3.92Å; F20-W25 HydrophobicContact CB-CB 4.27Å; F20-W25 HydrophobicContact CB-CE3 4.14Å; F20-W25 AromaticContact CD2-CE3 3.82Å; F20-W25 HydrophobicContact CD2-CE3 3.82Å; F20-W25 HydrophobicContact CD2-CZ3 4Å; F20-W25 HydrophobicContact CG-CE3 4.26Å; F20-L28 HydrophobicContact CD1-CD1 4.16Å; F20-L28 HydrophobicContact CD2-CD1 3.77Å; F20-L28 HydrophobicContact CE1-CD1 4.07Å; F20-L28 HydrophobicContact CE1-CD2 4.47Å; F20-L28 HydrophobicContact CE2-CD1 3.66Å; F20-L28 HydrophobicContact CG-CD1 4.01Å; F20-L28 HydrophobicContact CZ-CD1 3.83Å; F20-L28 HydrophobicContact CZ-CD2 4.44Å; F20-H36 AromaticContact CD2-CD2 3.76Å; F20-H36 AromaticContact CD2-NE2 3.78Å; F20-H36 HydrophobicContact CE2-CB 4.46Å; F20-H36 AromaticContact CE2-CD2 3.37Å; F20-H36 WeakPolarHBondContact CE2-CD2 3.46Å; F20-H36 AromaticContact CE2-CG 3.98Å; F20-H36 AromaticContact CE2-NE2 3.85Å
21T68.3Low69.8Low68 Ų6888 Ų8842%0.41749%0.494SS..  trans-66.9166.8166.269.90000110.6E23 E24 W25T21-E23 WeakPolarHBondContact CB-OE2 3.41Å; T21-E23 PolarHBondContact O-N 2.96Å; T21-E23 PolarHBondContact OG1-OE2 3.26Å; T21-E24 PolarHBondContact N-OE2 3.3Å; T21-E24 PolarHBondContact O-N 3.35Å; T21-E24 VanDerWaalsContact OG1-CG 3.26Å; T21-E24 WeakPolarHBondContact OG1-CG 3.42Å; T21-E24 PolarHBondContact OG1-N 3.45Å; T21-E24 PolarHBondContact OG1-OE2 2.89Å; T21-W25 VanDerWaalsContact O-CB 3.31Å; T21-W25 WeakPolarHBondContact O-CB 3.28Å; T21-W25 PolarHBondContact O-N 3.49Å
22V55Low70.9Confident117 Ų11788.7 Ų88.771%0.70949%0.491SS*.Hα-helixtrans-62.6-37.2179.6177.90000110.5A26V22-A26 WeakPolarHBondContact O-CB 3.49Å; V22-A26 PolarHBondContact O-N 2.99Å
23E66.6Low71.6Confident132 Ų13288.1 Ų88.162%0.61748%0.484SS*.Hα-helixtrans-66.9-46.7177.1-58.574.6-159.600111.2T21 A26 L27T21-E23 WeakPolarHBondContact CB-OE2 3.41Å; T21-E23 PolarHBondContact O-N 2.96Å; T21-E23 PolarHBondContact OG1-OE2 3.26Å; E23-A26 WeakPolarHBondContact O-CB 3.43Å; E23-A26 PolarHBondContact O-N 3.12Å; E23-L27 WeakPolarHBondContact O-CG 3.24Å; E23-L27 PolarHBondContact O-N 2.75Å
24E67Low72.1Confident94 Ų9490.4 Ų90.444%0.43949%0.494SS..Hα-helixtrans-64.3-41.8176.7-70.2170.3159.500111.6F20 T21 A26 L27 L28F20-E24 WeakPolarHBondContact CA-OE2 3.47Å; F20-E24 HydrophobicContact CB-CB 4.14Å; F20-E24 HydrophobicContact CD1-CB 3.92Å; T21-E24 PolarHBondContact N-OE2 3.3Å; T21-E24 PolarHBondContact O-N 3.35Å; T21-E24 VanDerWaalsContact OG1-CG 3.26Å; T21-E24 WeakPolarHBondContact OG1-CG 3.42Å; T21-E24 PolarHBondContact OG1-N 3.45Å; T21-E24 PolarHBondContact OG1-OE2 2.89Å; E24-A26 VanDerWaalsContact C-N 3.28Å; E24-A26 PolarHBondContact O-N 3.32Å; E24-L27 PolarHBondContact O-N 3.4Å; E24-L27 VanDerWaalsContact O-N 3.15Å; E24-L28 PolarHBondContact O-N 2.9Å
25W81.3Confident72.7Confident75 Ų7588 Ų8828%0.28449%0.486SS..Hα-helixtrans-63.5-35.5176.6-172-102.3000111.7F20 T21 L27 L28 K33 H36F20-W25 HydrophobicContact CB-CB 4.27Å; F20-W25 HydrophobicContact CB-CE3 4.14Å; F20-W25 AromaticContact CD2-CE3 3.82Å; F20-W25 HydrophobicContact CD2-CE3 3.82Å; F20-W25 HydrophobicContact CD2-CZ3 4Å; F20-W25 HydrophobicContact CG-CE3 4.26Å; T21-W25 VanDerWaalsContact O-CB 3.31Å; T21-W25 WeakPolarHBondContact O-CB 3.28Å; T21-W25 PolarHBondContact O-N 3.49Å; W25-L27 VanDerWaalsContact C-N 3.27Å; W25-L27 PolarHBondContact O-N 2.82Å; W25-L28 HydrophobicContact CD2-CD1 4.45Å; W25-L28 HydrophobicContact CE3-CD1 3.69Å; W25-L28 HydrophobicContact CZ3-CD1 4.02Å; W25-L28 PolarHBondContact O-N 3.11Å; W25-K33 HydrophobicContact CD2-CG 4.34Å; W25-K33 HydrophobicContact CH2-CB 4.03Å; W25-K33 HydrophobicContact CH2-CG 4.03Å; W25-K33 HydrophobicContact CZ2-CB 3.89Å; W25-K33 HydrophobicContact CZ2-CD 4.14Å; W25-K33 HydrophobicContact CZ2-CG 3.72Å; W25-K33 HydrophobicContact CZ3-CG 4.45Å; W25-K33 WeakPolarHBondContact O-CE 3.49Å; W25-K33 PolarHBondContact O-NZ 3.47Å; W25-H36 HydrophobicContact CH2-CB 4.24Å; W25-H36 AromaticContact CH2-ND1 3.47Å; W25-H36 WeakPolarHBondContact CH2-ND1 3.4Å; W25-H36 HydrophobicContact CZ3-CB 4Å; W25-H36 AromaticContact CZ3-CE1 3.82Å; W25-H36 AromaticContact CZ3-CG 3.65Å; W25-H36 AromaticContact CZ3-ND1 3.24Å; W25-H36 WeakPolarHBondContact CZ3-ND1 3.39Å
26A75.6Confident73Confident72 Ų7284.6 Ų84.660%0.59547%0.466SS*.Hα-helixtrans-63.4-34.6175.800000112.1V22 E23 E24 L28V22-A26 WeakPolarHBondContact O-CB 3.49Å; V22-A26 PolarHBondContact O-N 2.99Å; E23-A26 WeakPolarHBondContact O-CB 3.43Å; E23-A26 PolarHBondContact O-N 3.12Å; E24-A26 VanDerWaalsContact C-N 3.28Å; E24-A26 PolarHBondContact O-N 3.32Å; A26-L28 VanDerWaalsContact C-N 3.34Å
27L77.3Confident72.9Confident151 Ų15187.8 Ų87.879%0.79147%0.471SS*.Hα-helixtrans-75.3-18.1179-64.3172.6000113.8E23 E24 W25E23-L27 WeakPolarHBondContact O-CG 3.24Å; E23-L27 PolarHBondContact O-N 2.75Å; E24-L27 PolarHBondContact O-N 3.4Å; E24-L27 VanDerWaalsContact O-N 3.15Å; W25-L27 VanDerWaalsContact C-N 3.27Å; W25-L27 PolarHBondContact O-N 2.82Å
28L76.7Confident73.1Confident27 Ų2790.8 Ų90.814%0.14148%0.484CS..SBendtrans-73.5129.9178.5-65.2174.5000112.1F20 E24 W25 A26 Q32 K33F20-L28 HydrophobicContact CD1-CD1 4.16Å; F20-L28 HydrophobicContact CD2-CD1 3.77Å; F20-L28 HydrophobicContact CE1-CD1 4.07Å; F20-L28 HydrophobicContact CE1-CD2 4.47Å; F20-L28 HydrophobicContact CE2-CD1 3.66Å; F20-L28 HydrophobicContact CG-CD1 4.01Å; F20-L28 HydrophobicContact CZ-CD1 3.83Å; F20-L28 HydrophobicContact CZ-CD2 4.44Å; E24-L28 PolarHBondContact O-N 2.9Å; W25-L28 HydrophobicContact CD2-CD1 4.45Å; W25-L28 HydrophobicContact CE3-CD1 3.69Å; W25-L28 HydrophobicContact CZ3-CD1 4.02Å; W25-L28 PolarHBondContact O-N 3.11Å; A26-L28 VanDerWaalsContact C-N 3.34Å; L28-Q32 HydrophobicContact CB-CB 4.15Å; L28-Q32 HydrophobicContact CD2-CB 4.02Å; L28-K33 HydrophobicContact CB-CG 3.85Å; L28-K33 WeakPolarHBondContact O-CE 3.2Å; L28-K33 PolarHBondContact O-NZ 3.11Å; L28-K33 VanDerWaalsContact O-NZ 3.15Å
29G74.6Confident72.8Confident28 Ų2889.7 Ų89.729%0.28948%0.478SS..  trans-66.3161.2171.900000112.5S31 Q32 K33G29-S31 VanDerWaalsContact C-N 3.27Å; G29-S31 PolarHBondContact O-N 3.43Å; G29-Q32 PolarHBondContact O-N 2.8Å; G29-K33 PolarHBondContact O-N 3.49Å
30P72.2Confident72.8Confident110 Ų11085.3 Ų85.371%0.71445%0.454SS*.Hα-helixtrans-54.5-39-177.9-2734.6000114.2K33 K34P30-K33 PolarHBondContact O-N 2.8Å; P30-K34 WeakPolarHBondContact O-CB 3.35Å; P30-K34 PolarHBondContact O-N 3.06Å
31S76Confident73Confident102 Ų10286.4 Ų86.471%0.71346%0.46SS*.Hα-helixtrans-66.4-38.4178.2-48.50000112.3G29 K34 L35G29-S31 VanDerWaalsContact C-N 3.27Å; G29-S31 PolarHBondContact O-N 3.43Å; S31-K34 PolarHBondContact O-N 3.48Å; S31-L35 WeakPolarHBondContact O-CB 3.29Å; S31-L35 PolarHBondContact O-N 3.46Å
32Q74.9Confident72.9Confident107 Ų10788.9 Ų88.950%0.547%0.467SS..Hα-helixtrans-69.9-41.2176.2-67.6169.8-4100111.1L28 G29 K34 L35 H36L28-Q32 HydrophobicContact CB-CB 4.15Å; L28-Q32 HydrophobicContact CD2-CB 4.02Å; G29-Q32 PolarHBondContact O-N 2.8Å; Q32-K34 VanDerWaalsContact C-N 3.32Å; Q32-K34 PolarHBondContact O-N 3.15Å; Q32-L35 PolarHBondContact O-N 3.36Å; Q32-H36 WeakPolarHBondContact O-CB 3.44Å; Q32-H36 PolarHBondContact O-N 3.26Å
33K79.6Confident72.9Confident47 Ų4784.8 Ų84.820%0.20444%0.442CS..Hα-helixtrans-62.4-37.9174.3-70.9177.4172.3157.60112.6W25 L28 G29 P30 R37W25-K33 HydrophobicContact CD2-CG 4.34Å; W25-K33 HydrophobicContact CH2-CB 4.03Å; W25-K33 HydrophobicContact CH2-CG 4.03Å; W25-K33 HydrophobicContact CZ2-CB 3.89Å; W25-K33 HydrophobicContact CZ2-CD 4.14Å; W25-K33 HydrophobicContact CZ2-CG 3.72Å; W25-K33 HydrophobicContact CZ3-CG 4.45Å; W25-K33 WeakPolarHBondContact O-CE 3.49Å; W25-K33 PolarHBondContact O-NZ 3.47Å; L28-K33 HydrophobicContact CB-CG 3.85Å; L28-K33 WeakPolarHBondContact O-CE 3.2Å; L28-K33 PolarHBondContact O-NZ 3.11Å; L28-K33 VanDerWaalsContact O-NZ 3.15Å; G29-K33 PolarHBondContact O-N 3.49Å; P30-K33 PolarHBondContact O-N 2.8Å; K33-R37 WeakPolarHBondContact O-CG 3.3Å; K33-R37 PolarHBondContact O-N 3.35Å; K33-R37 PolarHBondContact O-NE 3.17Å
34K75.4Confident72.8Confident126 Ų12684.7 Ų84.755%0.54844%0.44SS..Hα-helixtrans-66.9-49.7174-173.5-178.2175.5-173.50110.8P30 S31 Q32 H36 R37 D38P30-K34 WeakPolarHBondContact O-CB 3.35Å; P30-K34 PolarHBondContact O-N 3.06Å; S31-K34 PolarHBondContact O-N 3.48Å; Q32-K34 VanDerWaalsContact C-N 3.32Å; Q32-K34 PolarHBondContact O-N 3.15Å; K34-H36 VanDerWaalsContact C-N 3.31Å; K34-H36 PolarHBondContact O-N 3.01Å; K34-R37 WeakPolarHBondContact O-CB 3.35Å; K34-R37 PolarHBondContact O-N 3.17Å; K34-R37 VanDerWaalsContact O-N 3.13Å; K34-D38 VanDerWaalsContact O-CG 3.3Å; K34-D38 PolarHBondContact O-N 3.01Å
35L79.8Confident72.7Confident111 Ų11187.8 Ų87.858%0.58145%0.448SS*.Hα-helixtrans-58.1-42.8178.1-17763.8000111.8S31 Q32 R37 D38 V39S31-L35 WeakPolarHBondContact O-CB 3.29Å; S31-L35 PolarHBondContact O-N 3.46Å; Q32-L35 PolarHBondContact O-N 3.36Å; L35-R37 PolarHBondContact O-N 3.31Å; L35-D38 PolarHBondContact O-N 3.11Å; L35-V39 HydrophobicContact CD1-CG2 4.36Å; L35-V39 HydrophobicContact CG-CG2 4.47Å; L35-V39 VanDerWaalsContact O-CG2 3.28Å; L35-V39 WeakPolarHBondContact O-CG2 3.42Å; L35-V39 PolarHBondContact O-N 3.36Å
36H76Confident72.1Confident38 Ų3888.5 Ų88.518%0.17646%0.457CS..Hα-helixtrans-59.5-44.8175.3176.2-94.7000112.3V18 F20 W25 Q32 K34 D38 V39 M40V18-H36 PolarHBondContact O-NE2 3.19Å; F20-H36 AromaticContact CD2-CD2 3.76Å; F20-H36 AromaticContact CD2-NE2 3.78Å; F20-H36 HydrophobicContact CE2-CB 4.46Å; F20-H36 AromaticContact CE2-CD2 3.37Å; F20-H36 WeakPolarHBondContact CE2-CD2 3.46Å; F20-H36 AromaticContact CE2-CG 3.98Å; F20-H36 AromaticContact CE2-NE2 3.85Å; W25-H36 HydrophobicContact CH2-CB 4.24Å; W25-H36 AromaticContact CH2-ND1 3.47Å; W25-H36 WeakPolarHBondContact CH2-ND1 3.4Å; W25-H36 HydrophobicContact CZ3-CB 4Å; W25-H36 AromaticContact CZ3-CE1 3.82Å; W25-H36 AromaticContact CZ3-CG 3.65Å; W25-H36 AromaticContact CZ3-ND1 3.24Å; W25-H36 WeakPolarHBondContact CZ3-ND1 3.39Å; Q32-H36 WeakPolarHBondContact O-CB 3.44Å; Q32-H36 PolarHBondContact O-N 3.26Å; K34-H36 VanDerWaalsContact C-N 3.31Å; K34-H36 PolarHBondContact O-N 3.01Å; H36-D38 PolarHBondContact O-N 2.84Å; H36-V39 PolarHBondContact O-N 3.11Å; H36-M40 VanDerWaalsContact O-CG 3.27Å; H36-M40 WeakPolarHBondContact O-CG 3.27Å; H36-M40 PolarHBondContact O-N 2.85Å
37R72.2Confident71.4Confident135 Ų13587.3 Ų87.351%0.50944%0.441SS..Hα-helixtrans-61.1-44.5175.5-76.8-174.9-75.2-115.11.4112.3K33 K34 L35 V39 M40 E41K33-R37 WeakPolarHBondContact O-CG 3.3Å; K33-R37 PolarHBondContact O-N 3.35Å; K33-R37 PolarHBondContact O-NE 3.17Å; K34-R37 WeakPolarHBondContact O-CB 3.35Å; K34-R37 PolarHBondContact O-N 3.17Å; K34-R37 VanDerWaalsContact O-N 3.13Å; L35-R37 PolarHBondContact O-N 3.31Å; R37-V39 VanDerWaalsContact C-N 3.34Å; R37-V39 PolarHBondContact O-N 2.98Å; R37-M40 PolarHBondContact O-N 2.93Å; R37-E41 PolarHBondContact O-N 3.37Å
38D73Confident70.7Confident78 Ų7882 Ų8242%0.41742%0.419SS..Hα-helixtrans-62.7-43.3-179.9-64.4-14.3000110.4K34 L35 H36 E41 E42K34-D38 VanDerWaalsContact O-CG 3.3Å; K34-D38 PolarHBondContact O-N 3.01Å; L35-D38 PolarHBondContact O-N 3.11Å; H36-D38 PolarHBondContact O-N 2.84Å; D38-E41 PolarHBondContact O-N 3.2Å; D38-E42 PolarHBondContact O-N 2.94Å
39V68.4Low69.9Low67 Ų6783.9 Ų83.941%0.40644%0.438SS..Hα-helixtrans-64.6-43.6176.1172.60000111.7L35 H36 R37 E41 E42 T43L35-V39 HydrophobicContact CD1-CG2 4.36Å; L35-V39 HydrophobicContact CG-CG2 4.47Å; L35-V39 VanDerWaalsContact O-CG2 3.28Å; L35-V39 WeakPolarHBondContact O-CG2 3.42Å; L35-V39 PolarHBondContact O-N 3.36Å; H36-V39 PolarHBondContact O-N 3.11Å; R37-V39 VanDerWaalsContact C-N 3.34Å; R37-V39 PolarHBondContact O-N 2.98Å; V39-E41 VanDerWaalsContact C-N 3.34Å; V39-E41 PolarHBondContact O-N 2.6Å; V39-E42 PolarHBondContact O-N 2.9Å; V39-T43 PolarHBondContact O-N 3.14Å; V39-T43 PolarHBondContact O-OG1 2.98Å
40M74.7Confident68.9Low28 Ų2888.8 Ų88.814%0.13846%0.456CS..Hα-helixtrans-67.4-33.4179.2-67.7-60.7-79.800112.7F13 A17 H36 R37 F44F13-M40 HydrophobicContact CE1-CE 3.92Å; F13-M40 HydrophobicContact CE2-CE 4.27Å; F13-M40 HydrophobicContact CZ-CE 3.45Å; F13-M40 VanDerWaalsContact CZ-CE 3.45Å; A17-M40 HydrophobicContact CB-CE 3.49Å; A17-M40 VanDerWaalsContact CB-CE 3.49Å; H36-M40 VanDerWaalsContact O-CG 3.27Å; H36-M40 WeakPolarHBondContact O-CG 3.27Å; H36-M40 PolarHBondContact O-N 2.85Å; R37-M40 PolarHBondContact O-N 2.93Å; M40-F44 WeakPolarHBondContact O-CB 3.49Å; M40-F44 PolarHBondContact O-N 2.75Å; M40-F44 VanDerWaalsContact O-N 3.11Å
41E67.6Low67.8Low101 Ų10186.8 Ų86.847%0.47246%0.455SS..Hα-helixtrans-67.3-41.3172.1-169.5-176.4159.200111.6R37 D38 V39 F44 R45R37-E41 PolarHBondContact O-N 3.37Å; D38-E41 PolarHBondContact O-N 3.2Å; V39-E41 VanDerWaalsContact C-N 3.34Å; V39-E41 PolarHBondContact O-N 2.6Å; E41-F44 PolarHBondContact O-N 2.67Å; E41-R45 PolarHBondContact O-N 3.49Å; E41-R45 IonicContact OE1-CZ 3.71Å; E41-R45 IonicContact OE1-NE 3.82Å; E41-R45 PolarHBondContact OE1-NE 3.24Å; E41-R45 IonicContact OE1-NH2 2.73Å; E41-R45 PolarHBondContact OE1-NH2 3.37Å
42E66.2Low66.3Low121 Ų12190.2 Ų90.257%0.56546%0.457SS*.Hα-helixtrans-63.5-46.9176.1-173.1175.7174.500111.7D38 V39 F44 R45 N46D38-E42 PolarHBondContact O-N 2.94Å; V39-E42 PolarHBondContact O-N 2.9Å; E42-F44 VanDerWaalsContact C-N 3.3Å; E42-F44 PolarHBondContact O-N 3.02Å; E42-R45 PolarHBondContact O-N 2.9Å; E42-N46 PolarHBondContact O-N 2.8Å; E42-N46 PolarHBondContact O-ND2 3.09Å
43T55.4Low64.2Low31 Ų3191 Ų9119%0.1947%0.469CS..Hα-helixtrans-57-43.4175.4-57.70000111.5F13 V16 V39 N46 L47F13-T43 HydrophobicContact CD2-CG2 4.47Å; F13-T43 HydrophobicContact CE2-CG2 4.36Å; V16-T43 HydrophobicContact CB-CG2 4.04Å; V16-T43 HydrophobicContact CG2-CG2 4.09Å; V39-T43 PolarHBondContact O-N 3.14Å; V39-T43 PolarHBondContact O-OG1 2.98Å; T43-N46 PolarHBondContact O-N 3.3Å; T43-L47 HydrophobicContact CG2-CD1 4.41Å; T43-L47 PolarHBondContact O-N 2.92Å; T43-L47 VanDerWaalsContact O-N 3.09Å
44F64.9Low61.9Low129 Ų12997.4 Ų97.457%0.56650%0.5SS*.Hα-helixtrans-65.9-41.6177.4-171.8-93.7000112.6F13 M40 E41 E42 N46 L47 A48F13-F44 HydrophobicContact CD2-CD2 4.2Å; F13-F44 HydrophobicContact CE2-CB 4.08Å; F13-F44 HydrophobicContact CE2-CD2 4.22Å; M40-F44 WeakPolarHBondContact O-CB 3.49Å; M40-F44 PolarHBondContact O-N 2.75Å; M40-F44 VanDerWaalsContact O-N 3.11Å; E41-F44 PolarHBondContact O-N 2.67Å; E42-F44 VanDerWaalsContact C-N 3.3Å; E42-F44 PolarHBondContact O-N 3.02Å; F44-N46 VanDerWaalsContact C-N 3.34Å; F44-N46 PolarHBondContact O-N 3.22Å; F44-L47 PolarHBondContact O-N 3.26Å; F44-A48 WeakPolarHBondContact O-CB 3.44Å; F44-A48 PolarHBondContact O-N 3.5Å
45R65.5Low59.8Low160 Ų16099.5 Ų99.560%0.60451%0.512SS*.Hα-helixtrans-62.2-41.7175.1-78.9-174.1-167.3-178.37.1111.9E41 E42 A48 A49E41-R45 PolarHBondContact O-N 3.49Å; E41-R45 IonicContact OE1-CZ 3.71Å; E41-R45 IonicContact OE1-NE 3.82Å; E41-R45 PolarHBondContact OE1-NE 3.24Å; E41-R45 IonicContact OE1-NH2 2.73Å; E41-R45 PolarHBondContact OE1-NH2 3.37Å; E42-R45 PolarHBondContact O-N 2.9Å; R45-A48 PolarHBondContact O-N 3.31Å; R45-A49 WeakPolarHBondContact O-CB 3.39Å; R45-A49 PolarHBondContact O-N 3.17Å
46N68.5Low57.5Low89 Ų89101.9 Ų101.948%0.47653%0.525SS..Hα-helixtrans-64-43.3179.5-71.8-23.4000111.3E42 T43 F44 A49 I50E42-N46 PolarHBondContact O-N 2.8Å; E42-N46 PolarHBondContact O-ND2 3.09Å; T43-N46 PolarHBondContact O-N 3.3Å; F44-N46 VanDerWaalsContact C-N 3.34Å; F44-N46 PolarHBondContact O-N 3.22Å; N46-A49 PolarHBondContact O-N 3.37Å; N46-I50 WeakPolarHBondContact O-CG1 3.39Å; N46-I50 PolarHBondContact O-N 3.26Å
47L60.8Low55.4Low48 Ų48108.6 Ų108.625%0.25156%0.557SS.*Hα-helixtrans-64.6-42174-71.9167.4000112.6F13 V16 T43 F44 A49 I50 G51F13-L47 HydrophobicContact CB-CD1 3.96Å; F13-L47 HydrophobicContact CD2-CD1 3.79Å; F13-L47 HydrophobicContact CG-CD1 4.38Å; V16-L47 HydrophobicContact CG2-CD1 4.02Å; T43-L47 HydrophobicContact CG2-CD1 4.41Å; T43-L47 PolarHBondContact O-N 2.92Å; T43-L47 VanDerWaalsContact O-N 3.09Å; F44-L47 PolarHBondContact O-N 3.26Å; L47-A49 VanDerWaalsContact C-N 3.29Å; L47-A49 PolarHBondContact O-N 3.28Å; L47-I50 PolarHBondContact O-N 3.35Å; L47-G51 PolarHBondContact O-N 3.45Å
48A62.2Low53.5Low40 Ų40110.1 Ų110.133%0.33158%0.575SS.*Hα-helixtrans-67.6-27.9177.900000113.2F44 R45F44-A48 WeakPolarHBondContact O-CB 3.44Å; F44-A48 PolarHBondContact O-N 3.5Å; R45-A48 PolarHBondContact O-N 3.31Å
49A61.3Low51.6Low65 Ų65114.5 Ų114.554%0.53760%0.597SS.*Hα-helixtrans-72.8-36.7175.200000111.9R45 N46 L47 G51 K52R45-A49 WeakPolarHBondContact O-CB 3.39Å; R45-A49 PolarHBondContact O-N 3.17Å; N46-A49 PolarHBondContact O-N 3.37Å; L47-A49 VanDerWaalsContact C-N 3.29Å; L47-A49 PolarHBondContact O-N 3.28Å; A49-G51 PolarHBondContact O-N 2.92Å; A49-K52 PolarHBondContact O-N 3.3Å
50I52.7Low49.9Very low131 Ų131117.2 Ų117.267%0.67261%0.609SS**Hα-helixtrans-63.2-32.1175.2-64.5163.9000110.8N46 L47 K52N46-I50 WeakPolarHBondContact O-CG1 3.39Å; N46-I50 PolarHBondContact O-N 3.26Å; L47-I50 PolarHBondContact O-N 3.35Å; I50-K52 PolarHBondContact O-N 3.1Å
51G48.7Very low47.9Very low68 Ų68123.7 Ų123.770%0.70164%0.644SS**THydrogen-bonded Turntrans-79.20.4-179.100000117.2L47 A49L47-G51 PolarHBondContact O-N 3.45Å; A49-G51 PolarHBondContact O-N 2.92Å
52K45.7Very low46.4Very low174 Ų174125.5 Ų125.576%0.75766%0.657SS**THydrogen-bonded Turntrans-112.215.3-166.6-79.7-171.9179.5-179.60117.3A49 I50A49-K52 PolarHBondContact O-N 3.3Å; I50-K52 PolarHBondContact O-N 3.1Å
53T30.9Very low45Very low123 Ų123127 Ų12776%0.75566%0.664SS**SBendtrans-104.764.117346.70000112.8
54Q29.9Very low43.9Very low182 Ų182136.9 Ų136.985%0.8570%0.698SS**  trans-171141.6150.3-116.3167.3-40.800112.4
55E31.6Very low42.5Very low170 Ų170138.5 Ų138.579%0.79470%0.701SS**  trans97.983.1160.6-60.8179.2-176.400120.8
56D30.6Very low41.2Very low161 Ų161134.1 Ų134.186%0.86170%0.695SS**  69.3142.7106.6-80.3-28.1000126.7
57Q33Very low39.7Very low180 Ų180139.9 Ų139.984%0.84171%0.71SS**  trans-99.3141.6-168.6-58.8170.4-9.200112.2
58N31.5Very low38.3Very low166 Ų166147 Ų14789%0.88873%0.733SS**  trans-156.1123.8158.5-119.4-39.2000112.6
59I33.9Very low37.2Very low171 Ų171149.8 Ų149.888%0.87774%0.743SS**  trans-138.799.2178.1-58.2175.4000108.7
60D31.4Very low36.3Very low124 Ų124153 Ų15366%0.66375%0.747SS**  trans-153.9103.7159.9-172.742.6000110.3H63D60-H63 IonicContact OD1-ND1 3.72Å
61D34.5Very low35.4Very low164 Ų164156.3 Ų156.388%0.87775%0.751SS**  trans-164.831.1162.5-121.4-15000116.9
62D36.3Very low35.1Very low138 Ų138157.5 Ų157.574%0.73874%0.741SS**  trans-112.25.4-178.4-152.224.2000115.3
63H35.8Very low34.8Very low153 Ų153150.3 Ų150.371%0.70872%0.716SS**SBendtrans-85.7-17.2-172.7-79.493.6000116D60D60-H63 IonicContact OD1-ND1 3.72Å
64R32Very low35.2Very low239 Ų239148.2 Ų148.290%0.90270%0.703SS**SBendtrans-86.2-24.1-177.7-83.1-176.6-176.9-178.92.7114.8
65Y35.6Very low35.5Very low162 Ų162143.3 Ų143.364%0.63569%0.685SS**Hα-helixtrans-76.2-28.3-170.5-139-92.7000113.8R67Y65-R67 PolarHBondContact O-N 3.09Å
66S38.2Very low36Very low68 Ų68141.6 Ų141.648%0.47668%0.678SS.*Hα-helixtrans-71.5-29-174.1-119.90000114.7
67R36.6Very low36.7Very low210 Ų210141.6 Ų141.679%0.79267%0.665SS**Hα-helixtrans-71.4-32.4-178.4-87.8-169.3-103.1-159.6-3.4113.2Y65Y65-R67 PolarHBondContact O-N 3.09Å
68R31.9Very low37.1Very low197 Ų197139 Ų13974%0.74366%0.656SS**Hα-helixtrans-71.5-37.6-176.6-145.5174.7-167.1173.23.2112.3Q70 R71 N72R68-Q70 PolarHBondContact O-N 3.33Å; R68-R71 PolarHBondContact O-N 3.41Å; R68-N72 PolarHBondContact O-N 3.29Å
69N40Very low37.2Very low99 Ų99136.5 Ų136.553%0.52964%0.643SS.*Hα-helixtrans-69.4-31.3-179.4-77.6-11.3000113.7G73N69-G73 PolarHBondContact O-N 3.24Å
70Q40.8Very low37.2Very low132 Ų132135.6 Ų135.662%0.61764%0.635SS**Hα-helixtrans-71.9-35.6175.9-76.5-173.72.800112.5R68 G73 V74R68-Q70 PolarHBondContact O-N 3.33Å; Q70-G73 PolarHBondContact O-N 3.1Å; Q70-V74 PolarHBondContact O-N 3.38Å
71R35.4Very low37.2Very low202 Ų202137.2 Ų137.276%0.76264%0.638SS**Hα-helixtrans-66.7-43.2177.9-134.9177.4-176.4179.50.3111.1R68 G73 V74 V75R68-R71 PolarHBondContact O-N 3.41Å; R71-G73 VanDerWaalsContact C-N 3.35Å; R71-G73 PolarHBondContact O-N 2.78Å; R71-V74 PolarHBondContact O-N 3.41Å; R71-V75 PolarHBondContact O-N 3.01Å
72N41Very low37.1Very low92 Ų92140 Ų14049%0.49264%0.636SS.*Hα-helixtrans-62.8-39.3178-68.80.2000112.2R68 V74 V75 E76R68-N72 PolarHBondContact O-N 3.29Å; N72-V74 VanDerWaalsContact C-N 3.26Å; N72-V74 PolarHBondContact O-N 2.91Å; N72-V75 PolarHBondContact O-N 3.48Å; N72-E76 PolarHBondContact O-N 3Å
73G39.4Very low37Very low23 Ų23143 Ų14324%0.23764%0.642CS.*Hα-helixtrans-72.9-9.2177.300000115.9N69 Q70 R71 R77N69-G73 PolarHBondContact O-N 3.24Å; Q70-G73 PolarHBondContact O-N 3.1Å; R71-G73 VanDerWaalsContact C-N 3.35Å; R71-G73 PolarHBondContact O-N 2.78Å; G73-R77 PolarHBondContact O-NE 3.41Å; G73-R77 PolarHBondContact O-NH2 2.97Å
74V39.7Very low36.7Very low79 Ų79138.9 Ų138.948%0.47964%0.642SS.*Hα-helixtrans-88.3-39.8168.8175.10000110.1Q70 R71 N72 R77 L78Q70-V74 PolarHBondContact O-N 3.38Å; R71-V74 PolarHBondContact O-N 3.41Å; N72-V74 VanDerWaalsContact C-N 3.26Å; N72-V74 PolarHBondContact O-N 2.91Å; V74-R77 PolarHBondContact O-N 3.14Å; V74-L78 HydrophobicContact CG1-CD1 4.25Å; V74-L78 WeakPolarHBondContact O-CG 3.35Å; V74-L78 PolarHBondContact O-N 2.57Å; V74-L78 VanDerWaalsContact O-N 3.09Å
75V36.2Very low36.5Very low79 Ų79131.5 Ų131.548%0.47963%0.626SS.*Hα-helixtrans-67.3-42.1177.9178.60000111.5R71 N72 R77 L78 L79R71-V75 PolarHBondContact O-N 3.01Å; N72-V75 PolarHBondContact O-N 3.48Å; V75-R77 VanDerWaalsContact C-N 3.32Å; V75-R77 PolarHBondContact O-N 3.02Å; V75-L78 PolarHBondContact O-N 2.88Å; V75-L79 HydrophobicContact CG1-CD1 4.15Å; V75-L79 PolarHBondContact O-N 3.2Å
76E42.9Very low36.1Very low135 Ų135133.2 Ų133.263%0.63164%0.64SS**Hα-helixtrans-61.9-38.3175-84.7177.816300112.4N72 L78 L79 E80N72-E76 PolarHBondContact O-N 3Å; E76-L78 PolarHBondContact O-N 3.47Å; E76-L79 PolarHBondContact O-N 3.44Å; E76-E80 PolarHBondContact O-N 3.29Å
77R45Very low35.6Very low160 Ų160134.6 Ų134.660%0.60465%0.648SS**Hα-helixtrans-69.6-31.1175.5-91.2-177.6-73.1176.1-3.5113.2G73 V74 V75 L79 H81G73-R77 PolarHBondContact O-NE 3.41Å; G73-R77 PolarHBondContact O-NH2 2.97Å; V74-R77 PolarHBondContact O-N 3.14Å; V75-R77 VanDerWaalsContact C-N 3.32Å; V75-R77 PolarHBondContact O-N 3.02Å; R77-L79 VanDerWaalsContact C-N 3.32Å; R77-H81 WeakPolarHBondContact O-CB 3.33Å; R77-H81 PolarHBondContact O-N 3.33Å; R77-H81 VanDerWaalsContact O-N 3.08Å
78L40.9Very low35.2Very low125 Ų125134.4 Ų134.465%0.65465%0.653SS**Hα-helixtrans-70.1-30.5172.6-73.2166.3000111.9V74 V75 E76V74-L78 HydrophobicContact CG1-CD1 4.25Å; V74-L78 WeakPolarHBondContact O-CG 3.35Å; V74-L78 PolarHBondContact O-N 2.57Å; V74-L78 VanDerWaalsContact O-N 3.09Å; V75-L78 PolarHBondContact O-N 2.88Å; E76-L78 PolarHBondContact O-N 3.47Å
79L34Very low35.1Very low114 Ų114129.4 Ų129.460%0.59765%0.654SS**Hα-helixtrans-77.1-39.9175.9-77.7160.8000112.6V75 E76 R77 R82V75-L79 HydrophobicContact CG1-CD1 4.15Å; V75-L79 PolarHBondContact O-N 3.2Å; E76-L79 PolarHBondContact O-N 3.44Å; R77-L79 VanDerWaalsContact C-N 3.32Å; L79-R82 WeakPolarHBondContact O-CB 3.34Å; L79-R82 PolarHBondContact O-N 3.42Å
80E32.6Very low34.5Very low152 Ų152131.9 Ų131.971%0.7167%0.666SS**Hα-helixtrans-69.2-35.9175.1-73-163.1164.400112.4E76 R82 K83E76-E80 PolarHBondContact O-N 3.29Å; E80-R82 PolarHBondContact O-N 3.22Å; E80-R82 VanDerWaalsContact O-N 3.1Å; E80-K83 PolarHBondContact O-N 3.4Å; E80-K83 VanDerWaalsContact O-N 3.08Å
81H33.1Very low33.6Very low158 Ų158135.5 Ų135.573%0.73168%0.68SS**THydrogen-bonded Turntrans-70.4-6.3178-142-72.1000113.7R77R77-H81 WeakPolarHBondContact O-CB 3.33Å; R77-H81 PolarHBondContact O-N 3.33Å; R77-H81 VanDerWaalsContact O-N 3.08Å
82R31Very low33.2Very low224 Ų224137.3 Ų137.385%0.84569%0.687SS**THydrogen-bonded Turntrans-85.7-15.5172.3-151.5178.9-162.1-154.44.3113.2L79 E80L79-R82 WeakPolarHBondContact O-CB 3.34Å; L79-R82 PolarHBondContact O-N 3.42Å; E80-R82 PolarHBondContact O-N 3.22Å; E80-R82 VanDerWaalsContact O-N 3.1Å
83K34.1Very low32.4Very low199 Ų199141.5 Ų141.587%0.86570%0.703SS**SBendtrans-108.85-175.9-78-170.6175.5-1770115.4E80E80-K83 PolarHBondContact O-N 3.4Å; E80-K83 VanDerWaalsContact O-N 3.08Å
84G29.1Very low31.7Very low68 Ų68148.2 Ų148.270%0.70173%0.732SS**SBendtrans-121.311.9-172.700000117.5
85C28.9Very low30.9Very low84 Ų84149.9 Ų149.957%0.56875%0.745SS**  trans-115.592.7-179.7-147.20000110.8C87C85-C87 PolarHBondContact O-N 3.19Å
86E26.7Very low30.2Very low198 Ų198153.9 Ų153.993%0.92576%0.763SS**  trans-70.646.4167.6-68.3-177.7157.100111.9
87C27.2Very low29.3Very low96 Ų96154.2 Ų154.265%0.64977%0.774SS**  trans-103.826.7172.9-68.50000112C85 A89C85-C87 PolarHBondContact O-N 3.19Å; C87-A89 VanDerWaalsContact C-N 3.28Å; C87-A89 PolarHBondContact O-N 3.43Å
88K28.4Very low28.2Very low206 Ų206153.4 Ų153.490%0.89679%0.787SS**THydrogen-bonded Turntrans-81.98.8178.1-82-168.2176.2-176.70115
89A30Very low27.5Very low92 Ų92151 Ų15176%0.7679%0.794SS**THydrogen-bonded Turntrans-1178.1-172.800000116.9C87C87-A89 VanDerWaalsContact C-N 3.28Å; C87-A89 PolarHBondContact O-N 3.43Å
90I27.4Very low27Very low152 Ų152152.4 Ų152.478%0.77980%0.801SS**SBendtrans-118.1-5.5-179.5-57.7178.2000114.5R92I90-R92 PolarHBondContact O-N 3.16Å
91F23.3Very low26.6Very low208 Ų208155.4 Ų155.491%0.91281%0.806SS**THydrogen-bonded Turntrans-98.928.7177.9-85.8-78.6000115.2
92R26.2Very low26.2Very low240 Ų240157 Ų15791%0.90681%0.811SS**THydrogen-bonded Turntrans-110.310.4172.4-82.2-169.2176179.2-1.4115I90I90-R92 PolarHBondContact O-N 3.16Å
93Q23.8Very low25.9Very low179 Ų179152.3 Ų152.384%0.83681%0.808SS**SBendtrans-140.673.3177.6-64.8-160.84.900112.2
94I25.3Very low25.7Very low165 Ų165148.7 Ų148.785%0.84681%0.807SS**SBendtrans-157.2132137.7-56-167.3000107.1
95P23.1Very low25.4Very low114 Ų114154 Ų15474%0.7481%0.813SS**  trans-82.7159.3-170.20.818.2000114.2T97P95-T97 PolarHBondContact O-N 3.44Å
96D22.1Very low25.3Very low163 Ų163161 Ų16187%0.87283%0.828SS**  trans-58114.2173.6-71.5-50.6000112.5
97T24.1Very low25.3Very low141 Ų141158.2 Ų158.287%0.86583%0.825SS**  trans-117.192.5158.139.10000109.5P95P95-T97 PolarHBondContact O-N 3.44Å
98T20.8Very low25.2Very low143 Ų143159 Ų15988%0.87783%0.826SS**  trans-58.9121.6153.238.10000109.9
99G26.3Very low24.8Very low76 Ų76156.5 Ų156.578%0.78482%0.822SS**  trans178.673.5179.100000115.7
100N23.2Very low24.6Very low142 Ų142158 Ų15876%0.75983%0.825SS**  trans38120.4144.5-100.7-28000122.5
101R24.1Very low24.3Very low216 Ų216158.7 Ų158.782%0.81583%0.825SS**  52.1107.3125.5-74.6179.3178.1179.10119.7
102K25.4Very low24.5Very low191 Ų191156 Ų15683%0.8382%0.82SS**  163.2116.1106-93.5175.1-178.6179.50112.6
103T25Very low24.5Very low126 Ų126152.6 Ų152.677%0.77381%0.814SS**  trans34.5118.4138.645.90000121
104S28.6Very low24.4Very low123 Ų123149.1 Ų149.186%0.8681%0.805SS**  -154.6129.1125.3-169.10000111.6
105H24.1Very low24.3Very low178 Ų178152.4 Ų152.482%0.82481%0.809SS**  trans-59144.7-177.1-82.2-137.1000114
106R26.1Very low24.3Very low231 Ų231155 Ų15587%0.87281%0.808SS**  -173.967.7123.5-154.1169.9-172.8170.32.2112.1
107T27.6Very low24.5Very low141 Ų141154.1 Ų154.187%0.86580%0.804SS**  trans-96.6106167-50.60000108.3L109T107-L109 PolarHBondContact O-N 3.42Å
108V24.2Very low24.6Very low111 Ų111155.3 Ų155.367%0.67381%0.805SS**  trans-67.7114.9175.2173.40000108.1C110V108-C110 PolarHBondContact O-N 2.97Å
109L21.2Very low24.6Very low154 Ų154155.9 Ų155.981%0.80680%0.799SS**  trans-61.5122.1170-72.1159.2000109.2T107T107-L109 PolarHBondContact O-N 3.42Å
110C25.8Very low24.5Very low124 Ų124160.1 Ų160.184%0.83880%0.803SS**  trans-106.898.7157.8-75.50000107.1V108V108-C110 PolarHBondContact O-N 2.97Å
111E19.8Very low24.5Very low167 Ų167159.2 Ų159.278%0.7880%0.797SS**  trans-65.8131.9163.2-66.6172.8154.600109.1
112N28.4Very low24.3Very low150 Ų150153.8 Ų153.880%0.80279%0.792SS**  trans-171.1111.7138.7-91.9-29.5000111
113H25.5Very low24.3Very low169 Ų169153.2 Ų153.278%0.78279%0.792SS**  trans62.388.3148.9-80.8-77000120.5Y115H113-Y115 PolarHBondContact O-N 3.04Å
114V21.1Very low24.2Very low107 Ų107151 Ų15165%0.64879%0.786SS**  -6.6104.9122.1-171.30000114.6K116V114-K116 HydrophobicContact CG1-CB 4.35Å; V114-K116 HydrophobicContact CG1-CD 4.04Å; V114-K116 HydrophobicContact CG1-CG 3.76Å
115Y23.6Very low24.1Very low234 Ų234150.3 Ų150.392%0.91878%0.781SS**  trans-112.699.8137.9-108-89000106.1H113H113-Y115 PolarHBondContact O-N 3.04Å
116K23.4Very low24.2Very low168 Ų168149.5 Ų149.573%0.7378%0.783SS**  trans-71.8123.2164.4-81.7168177.9-175.50106.7V114V114-K116 HydrophobicContact CG1-CB 4.35Å; V114-K116 HydrophobicContact CG1-CD 4.04Å; V114-K116 HydrophobicContact CG1-CG 3.76Å
117D26.8Very low24.3Very low145 Ų145146.3 Ų146.378%0.77578%0.783SS**  trans170.370.8131.5-80.9-13.2000108.4M119D117-M119 PolarHBondContact O-N 3.48Å; D117-M119 VanDerWaalsContact O-N 3.09Å
118N25.2Very low24.1Very low165 Ų165145 Ų14588%0.88277%0.774SS**  trans-75.678.6154.2-87.3-16000107.2L120N118-L120 VanDerWaalsContact C-N 3.28Å; N118-L120 PolarHBondContact O-N 2.88Å
119M22.5Very low24Very low155 Ų155145 Ų14576%0.76478%0.779SS**  trans-71.794159.6-98.4-83.413700107.5D117 I121D117-M119 PolarHBondContact O-N 3.48Å; D117-M119 VanDerWaalsContact O-N 3.09Å; M119-I121 VanDerWaalsContact C-N 3.27Å; M119-I121 PolarHBondContact O-N 2.82Å
120L22.5Very low24Very low165 Ų165143.3 Ų143.386%0.86478%0.775SS**  trans-56.988.9161-82.2151.5000108.6N118 S122N118-L120 VanDerWaalsContact C-N 3.28Å; N118-L120 PolarHBondContact O-N 2.88Å; L120-S122 PolarHBondContact O-N 3.35Å
121I23.5Very low23.9Very low123 Ų123142.8 Ų142.863%0.63177%0.77SS**  trans-93.194.2161.3-58.7178.7000106.9M119 H123M119-I121 VanDerWaalsContact C-N 3.27Å; M119-I121 PolarHBondContact O-N 2.82Å; I121-H123 PolarHBondContact O-N 3.28Å
122S21Very low24.1Very low103 Ų103143 Ų14372%0.7278%0.776SS**  trans-54.3106.2160.449.70000110L120 A124L120-S122 PolarHBondContact O-N 3.35Å; S122-A124 VanDerWaalsContact C-N 3.33Å
123H23.8Very low23.9Very low179 Ų179144 Ų14483%0.82978%0.776SS**  trans-9871.6151.6-78.5-76.1000108.1I121I121-H123 PolarHBondContact O-N 3.28Å
124A24.2Very low23.9Very low78 Ų78143.1 Ų143.165%0.64578%0.782SS**  trans-77.6147.7146.900000107.4S122S122-A124 VanDerWaalsContact C-N 3.33Å
125S26Very low24.1Very low109 Ų109141.8 Ų141.876%0.76278%0.783SS**  trans84.476.6164.7-450000117.8
126L27.2Very low24.1Very low162 Ų162139 Ų13985%0.84878%0.777SS**  trans-141.427.3139.7-82-175.3000113.1V128L126-V128 PolarHBondContact O-N 3.38Å
127N26.5Very low24.2Very low163 Ų163140.9 Ų140.987%0.87279%0.785SS**  trans-8665156.3-84.7-2.4000108.3S129N127-S129 PolarHBondContact O-N 3.27Å
128V23.5Very low24.1Very low114 Ų114139 Ų13969%0.69178%0.781SS**  trans-76.2109.2160.7177.20000105.4L126 V130L126-V128 PolarHBondContact O-N 3.38Å; V128-V130 PolarHBondContact O-N 3.15Å; V128-V130 VanDerWaalsContact O-N 3.13Å
129S21.8Very low24.2Very low110 Ų110135.7 Ų135.777%0.76977%0.769SS**  trans-65.4107.6171-59.70000107.3N127 P131N127-S129 PolarHBondContact O-N 3.27Å; S129-P131 WeakPolarHBondContact O-CD 3.37Å
130V22.9Very low24.2Very low120 Ų120133.6 Ų133.673%0.72778%0.776SS**  trans-78.3118.2164.6179.60000106.3V128 L132V128-V130 PolarHBondContact O-N 3.15Å; V128-V130 VanDerWaalsContact O-N 3.13Å; V130-L132 PolarHBondContact O-N 3.12Å; V130-L132 VanDerWaalsContact O-N 3.08Å
131P22.8Very low24.1Very low113 Ų113134.7 Ų134.773%0.73477%0.77SS**  trans-70.6106.2178.4-5.120.8000108S129 Q133S129-P131 WeakPolarHBondContact O-CD 3.37Å; P131-Q133 PolarHBondContact O-N 3.18Å
132L24.4Very low24.1Very low171 Ų171137.2 Ų137.290%0.89578%0.779SS**  trans-79.4106.7162.8-122.1140.6000106.5V130 T134V130-L132 PolarHBondContact O-N 3.12Å; V130-L132 VanDerWaalsContact O-N 3.08Å; L132-T134 PolarHBondContact O-N 3.29Å
133Q24.7Very low24.2Very low172 Ų172141 Ų14180%0.80479%0.791SS**  trans-43.7134.4179.3-71.8174.8-33.500111.3P131 A135P131-Q133 PolarHBondContact O-N 3.18Å; Q133-A135 PolarHBondContact O-N 3.4Å
134T25.1Very low24.1Very low150 Ų150138.2 Ų138.292%0.9279%0.79SS**  trans-39.3104.8154.239.80000110.7L132L132-T134 PolarHBondContact O-N 3.29Å
135A24.2Very low24.2Very low79 Ų79137.8 Ų137.865%0.65379%0.793SS**  trans-139.3105.4164.400000108.2Q133Q133-A135 PolarHBondContact O-N 3.4Å
136H25.2Very low24.1Very low175 Ų175140.8 Ų140.881%0.8180%0.795SS**  trans53.3101156.4-63.7-82.9000117.7P138H136-P138 WeakPolarHBondContact O-CD 3.43Å; H136-P138 VanDerWaalsContact O-N 3.15Å
137K25.1Very low24Very low207 Ų207139.9 Ų139.990%0.979%0.791SS**  trans-51.8109.1149.2-157.6-178.6-168.2-176.30107.4
138P24.6Very low23.8Very low106 Ų106139.3 Ų139.369%0.68879%0.787SS**  trans-72.4145.5170.8-4.723.6000107.5H136H136-P138 WeakPolarHBondContact O-CD 3.43Å; H136-P138 VanDerWaalsContact O-N 3.15Å
139P27.4Very low23.8Very low95 Ų95142.6 Ų142.662%0.61779%0.789SS**  trans-70.1150.1-171.613.6-3.5000110.5Y141P139-Y141 HydrophobicContact CB-CD1 4.42Å; P139-Y141 HydrophobicContact CG-CD1 4.02Å; P139-Y141 HydrophobicContact CG-CE1 4.37Å; P139-Y141 WeakPolarHBondContact O-CD1 3.34Å; P139-Y141 PolarHBondContact O-N 3.5Å
140A21.7Very low23.8Very low111 Ų111144 Ų14492%0.91779%0.793SS**  trans-60106.5160.400000107.8
141Y21.7Very low24Very low188 Ų188147.3 Ų147.374%0.73780%0.797SS**  trans-142.8151.3163.271.9-89.9000110P139P139-Y141 HydrophobicContact CB-CD1 4.42Å; P139-Y141 HydrophobicContact CG-CD1 4.02Å; P139-Y141 HydrophobicContact CG-CE1 4.37Å; P139-Y141 WeakPolarHBondContact O-CD1 3.34Å; P139-Y141 PolarHBondContact O-N 3.5Å
142E23.2Very low24.1Very low176 Ų176144.8 Ų144.882%0.82279%0.792SS**  trans-64.9161.6-161.2-67.7160.7137.100114.3C144E142-C144 PolarHBondContact O-N 3.44Å
143L23.3Very low24.3Very low184 Ų184146.1 Ų146.196%0.96379%0.794SS**  trans-50.7102.4175.2-79.5108.9000111.6
144C21.9Very low24.4Very low119 Ų119142.3 Ų142.380%0.80479%0.785SS**  trans-105.9101155.7-1390000106.9E142 E146E142-C144 PolarHBondContact O-N 3.44Å; C144-E146 PolarHBondContact O-N 3.24Å
145G24.5Very low24.5Very low70 Ų70144.1 Ų144.172%0.72278%0.783SS**  trans-78.298-17700000111.5N147G145-N147 PolarHBondContact O-N 2.83Å
146E23.8Very low24.9Very low172 Ų172147.6 Ų147.680%0.80478%0.783SS**  trans-80.6102.8160.1-72.5-173.9160.800109.3C144 L148C144-E146 PolarHBondContact O-N 3.24Å; E146-L148 PolarHBondContact O-N 2.8Å
147N27Very low24.8Very low142 Ų142144 Ų14476%0.75978%0.784SS**  trans-85.989.2166.4-78.6-41.3000109.4G145 Y149G145-N147 PolarHBondContact O-N 2.83Å; N147-Y149 PolarHBondContact O-N 3.45Å
148L21.2Very low24.8Very low151 Ų151142.3 Ų142.379%0.79178%0.777SS**  trans-8587.3160.3-87.7151.6000108.7E146E146-L148 PolarHBondContact O-N 2.8Å
149Y24.6Very low24.7Very low184 Ų184144.4 Ų144.472%0.72278%0.781SS**  trans-117.7103.3161.8-76.7-75.7000109N147 F151N147-Y149 PolarHBondContact O-N 3.45Å; Y149-F151 PolarHBondContact O-N 3.33Å
150T20.9Very low24.5Very low140 Ų140146.5 Ų146.586%0.85978%0.778SS**  trans-6594.9164.641.20000108.6G152T150-G152 PolarHBondContact O-N 3.03Å; T150-G152 VanDerWaalsContact O-N 3.1Å
151F26.2Very low24.7Very low188 Ų188145.3 Ų145.383%0.82576%0.761SS**  trans-74.997.3171.9-91.5-86.4000109.2Y149 E153Y149-F151 PolarHBondContact O-N 3.33Å; F151-E153 PolarHBondContact O-N 3.03Å
152G26Very low24.9Very low61 Ų61144.7 Ų144.763%0.62976%0.764SS**  trans-60.2123.116100000110.4T150 C154T150-G152 PolarHBondContact O-N 3.03Å; T150-G152 VanDerWaalsContact O-N 3.1Å; G152-C154 PolarHBondContact O-N 2.88Å
153E27.5Very low25Very low199 Ų199142.4 Ų142.493%0.9377%0.766SS**  trans32.980.3142.7-62.2173.3-177.300115.1F151F151-E153 PolarHBondContact O-N 3.03Å
154C27.6Very low25.1Very low91 Ų91142 Ų14262%0.61576%0.764SS**  trans-110.392.2167.1-153.80000109.2G152 K156G152-C154 PolarHBondContact O-N 2.88Å; C154-K156 VanDerWaalsContact C-N 3.31Å; C154-K156 PolarHBondContact O-N 2.84Å
155E27.8Very low25.3Very low188 Ų188144 Ų14488%0.87977%0.766SS**  trans-58.189.2163-64.4178.3156.300109.5
156K31.5Very low25.2Very low152 Ų152148.9 Ų148.966%0.66177%0.767SS**  trans-106.2103.5168.9-75.3-178.2-176.8168.50108.9C154 F158C154-K156 VanDerWaalsContact C-N 3.31Å; C154-K156 PolarHBondContact O-N 2.84Å; K156-F158 WeakPolarHBondContact O-CD2 3.18Å; K156-F158 PolarHBondContact O-N 3.45Å
157A24.4Very low25.3Very low99 Ų99149.9 Ų149.982%0.81877%0.771SS**  trans-59.8114.7163.700000109.4
158F24.4Very low25.1Very low172 Ų172150.7 Ų150.775%0.75477%0.771SS**  trans-80.6121.1168.9-76.2-90000108.9K156 Y160K156-F158 WeakPolarHBondContact O-CD2 3.18Å; K156-F158 PolarHBondContact O-N 3.45Å; F158-Y160 PolarHBondContact O-N 2.71Å
159I22.5Very low25.3Very low151 Ų151150.7 Ų150.777%0.77477%0.771SS**  trans-77114.5170.4-62.8171000107.3P161I159-P161 WeakPolarHBondContact O-CD 3.44Å
160Y23.3Very low25.4Very low139 Ų139147.3 Ų147.355%0.54578%0.775SS.*  trans-70.3128.5165.8-92.7-89.4000110.2F158 F214 F219F158-Y160 PolarHBondContact O-N 2.71Å; Y160-F214 WeakPolarHBondContact OH-CE1 3.47Å; Y160-F214 VanDerWaalsContact OH-CZ 3.31Å; Y160-F214 WeakPolarHBondContact OH-CZ 3.4Å; Y160-F219 HydrophobicContact CE1-CD2 4.1Å; Y160-F219 HydrophobicContact CE1-CE2 4.06Å; Y160-F219 AromaticContact CZ-CE2 3.72Å; Y160-F219 WeakPolarHBondContact OH-CD2 3.49Å; Y160-F219 WeakPolarHBondContact OH-CE2 3.5Å
161P26Very low25.7Very low86 Ų86148.2 Ų148.256%0.55878%0.775SS**  trans-109.383.617433.4-20.1000111.5I159I159-P161 WeakPolarHBondContact O-CD 3.44Å
162E25.2Very low25.8Very low175 Ų175144 Ų14482%0.81877%0.768SS**  trans-128.63.1160.9-80.7-160.2161.600115.3L164E162-L164 PolarHBondContact O-N 3.06Å
163C25.9Very low25.9Very low127 Ų127152.7 Ų152.786%0.85878%0.782SS**SBendtrans-91.967170.1-54.70000110.4
164L25.5Very low25.9Very low177 Ų177151.7 Ų151.793%0.92778%0.777SS**  trans-166.545.3167.3-101.1148.2000111.6E162E162-L164 PolarHBondContact O-N 3.06Å
165L25.1Very low25.7Very low160 Ų160159.1 Ų159.184%0.83879%0.792SS**SBendtrans-98.5111.6157.5-98139.5000108.1
166K23.4Very low25.5Very low172 Ų172155 Ų15575%0.74878%0.784SS**  trans-5.6122168.4-57.2178.5177.3-172.40116.8
167H24.8Very low25.4Very low193 Ų193153.4 Ų153.489%0.89479%0.791SS**  trans-124.7114.7132.1-92.8-81.5000108
168E23.4Very low25.2Very low160 Ų160157.6 Ų157.675%0.74879%0.794SS**  trans-66.9118.8160.2-66.8178.7161.800106.4
169D24.8Very low25.2Very low150 Ų150158.9 Ų158.980%0.80280%0.799SS**  trans163.4138.5134.8-83.2-29.7000112.3
170S28Very low25.3Very low114 Ų114159.2 Ų159.280%0.79780%0.803SS**  trans63.5104.8160.556.20000119.9
171D26.2Very low25.3Very low159 Ų159161.6 Ų161.685%0.8582%0.819SS**  trans30.1139.7132.1-140.2-6.2000122.3
172S28.9Very low25.2Very low99 Ų99164.3 Ų164.369%0.69284%0.838SS**  trans84.1108.3159.7760000121.6
173R28.4Very low25.2Very low243 Ų243159.2 Ų159.292%0.91783%0.833SS**  trans45.6124.2133.7-66.4178.8176178.1-0.6120.2
174Q26.4Very low25.1Very low178 Ų178162.8 Ų162.883%0.83283%0.834SS**  trans92.986.5148.7-144.7156.1-13.200116.6
175R24.3Very low25.1Very low247 Ų247162.2 Ų162.293%0.93283%0.83SS**  trans-130.599.7156.7-68.2-170.4-167.1-163.74.8109.5
176S23.7Very low25Very low101 Ų101164 Ų16471%0.70683%0.831SS**  trans-90.8110.516447.50000107.8
177C28.1Very low25.2Very low119 Ų119165.4 Ų165.480%0.80484%0.838SS**  trans-87.9115.4170.7-73.30000109.2
178E22Very low25.5Very low188 Ų188161.6 Ų161.688%0.87983%0.833SS**  trans-76.5116172.2-66.5177.8159.400109.3
179F23.5Very low25.9Very low198 Ų198159.5 Ų159.587%0.86884%0.836SS**  trans-116.5100.9172-125-90000105.9
180N24.1Very low26.2Very low159 Ų159155.2 Ų155.285%0.8581%0.813SS**  trans-175.487.5165.2-91.8-21.1000109.8
181Q24.3Very low26.5Very low188 Ų188156 Ų15688%0.87980%0.803SS**  trans-176.988.2154.8-104159.748.700109.3
182C23.4Very low26.7Very low143 Ų143151.9 Ų151.997%0.96678%0.781SS**  trans-159.787154.8-1370000109.3
183G24.6Very low26.9Very low69 Ų69153.8 Ų153.871%0.71178%0.779SS**  trans-145131167.200000106.6
184K25Very low26.8Very low202 Ų202147.5 Ų147.588%0.87876%0.761SS**  trans10364.2180-56.5176.4179.4-175.30116.7
185I24.3Very low27Very low164 Ų164147.4 Ų147.484%0.84175%0.753SS**  trans-145.589.8141-50.3179.1000107.7
186F24Very low28.1Very low197 Ų197140.2 Ų140.286%0.86474%0.736SS**  trans-140.997.1173.3-90.2-81000109.1
187K26Very low28.7Very low203 Ų203137.7 Ų137.788%0.88372%0.719SS**  trans-151.3130.2153.2-72.7-164.3178.4175.90109.2
188S32.4Very low29.3Very low113 Ų113140.2 Ų140.279%0.7972%0.724SS**SBendtrans85.1137.2171.374.20000119
189S32.5Very low30.2Very low115 Ų115140.3 Ų140.380%0.80473%0.725SS**  trans-81.8120.3-161.1-59.30000114.3
190D29.9Very low30.7Very low60 Ų60134.1 Ų134.132%0.32170%0.703SS.*  trans-130.687.3-178-84.4-22.1000109.3S207 K208 Q209D190-S207 CarbonylContact O-C 3.3Å; D190-S207 VanDerWaalsContact O-C 3.3Å; D190-S207 WeakPolarHBondContact O-CA 3.41Å; D190-S207 WeakPolarHBondContact O-CB 3.49Å; D190-S207 PolarHBondContact O-OG 3.46Å; D190-K208 HydrophobicContact CB-CB 3.93Å; D190-K208 PolarHBondContact O-N 3.48Å; D190-Q209 HydrophobicContact CB-CG 4.25Å; D190-Q209 PolarHBondContact OD2-NE2 3.38Å
191H34.6Very low31.2Very low130 Ų130136.9 Ų136.960%0.60270%0.702SS**EExtended strand (participates in β ladder)trans-127.7141.3179.4-63.1-10.3000112.5I206H191-I206 CarbonylContact C-O 3.56Å; H191-I206 WeakPolarHBondContact CA-O 3.35Å
192I31.3Very low31.3Very low74 Ų74134.6 Ų134.638%0.37969%0.691SS.*EExtended strand (participates in β ladder)trans-112.3135.2165.6-75.4161000109M194 I206 K208I192-M194 HydrophobicContact CG2-CG 4.36Å; I192-I206 PolarHBondContact N-O 3.19Å; I192-I206 PolarHBondContact O-N 3.48Å; I192-K208 HydrophobicContact CB-CG 4.45Å; I192-K208 HydrophobicContact CD1-CD 4.21Å; I192-K208 HydrophobicContact CD1-CG 3.48Å; I192-K208 VanDerWaalsContact CD1-CG 3.48Å; I192-K208 HydrophobicContact CG1-CD 4.07Å; I192-K208 VanDerWaalsContact CG1-CE 3.44Å; I192-K208 HydrophobicContact CG1-CG 3.43Å; I192-K208 VanDerWaalsContact CG1-CG 3.43Å
193Q31.2Very low31.7Very low138 Ų138132.8 Ų132.865%0.64567%0.668SS**EExtended strand (participates in β ladder)trans-92.5135.5175.8-81.7171.2-49.700111.5C205Q193-C205 VanDerWaalsContact CG-SG 3.55Å
194M27.8Very low32.1Very low111 Ų111133.6 Ų133.655%0.54766%0.655SS.*EExtended strand (participates in β ladder)trans-134.1142170.8-66.1-176.370.600111.3I192 M204I192-M194 HydrophobicContact CG2-CG 4.36Å; M194-M204 PolarHBondContact N-O 3.14Å; M194-M204 PolarHBondContact O-N 2.73Å
195R30.1Very low32.7Very low177 Ų177127.5 Ų127.567%0.66864%0.637SS**EExtended strand (participates in β ladder)trans-89.1131.4173.7-81.7-176.7-177.4167.95.7110.1E203R195-E203 HydrophobicContact CG-CG 4.27Å; R195-E203 IonicContact NE-OE1 3.36Å; R195-E203 IonicContact NH2-OE1 3.92Å
196V46.6Very low33.2Very low95 Ų95122.9 Ų122.958%0.57661%0.613SS**  trans-102.8-13.2-173-176.20000113.4M204V196-M204 HydrophobicContact CG2-CB 4.2Å
197S36.3Very low33.6Very low49 Ų49115.2 Ų115.234%0.34358%0.584SS.*  trans-162.8157.5166.1820000113.4E199 T200S197-E199 VanDerWaalsContact C-N 3.3Å; S197-T200 VanDerWaalsContact O-O 3.1Å; S197-T200 PolarHBondContact OG-N 3.32Å; S197-T200 PolarHBondContact OG-O 3.02Å; S197-T200 PolarHBondContact OG-OG1 3.45Å
198D42.4Very low34.1Very low172 Ų172111.1 Ų111.192%0.9257%0.566SS**SBendtrans-75-18.2175.6-72.7-35.9000113.1
199E40.6Very low34.4Very low190 Ų190112.7 Ų112.789%0.88856%0.561SS**SBendtrans-97-32.3-173.4-64.7-178.1170.500113S197S197-E199 VanDerWaalsContact C-N 3.3Å
200T34.1Very low34.7Very low68 Ų68112.1 Ų112.142%0.41755%0.545SS..SBendtrans-113115.117264.70000108S197 E202S197-T200 VanDerWaalsContact O-O 3.1Å; S197-T200 PolarHBondContact OG-N 3.32Å; S197-T200 PolarHBondContact OG-O 3.02Å; S197-T200 PolarHBondContact OG-OG1 3.45Å; T200-E202 PolarHBondContact O-N 3.26Å
201R33.6Very low34.8Very low217 Ų217111.3 Ų111.382%0.81955%0.551SS**  trans-69.248.8171.2-70.3175.879.3162.33.2111.2
202E27.4Very low34.8Very low140 Ų140113.1 Ų113.165%0.65457%0.565SS**  trans-88.8107.3172-70.6-175163.100108.1T200T200-E202 PolarHBondContact O-N 3.26Å
203E30.8Very low35Very low104 Ų104113 Ų11349%0.48658%0.575SS.*EExtended strand (participates in β ladder)trans-95.4129.9179.7-62.7-177.4163.200109.2R195R195-E203 HydrophobicContact CG-CG 4.27Å; R195-E203 IonicContact NE-OE1 3.36Å; R195-E203 IonicContact NH2-OE1 3.92Å
204M33.8Very low35.3Very low86 Ų86110.4 Ų110.442%0.42456%0.562SS.*EExtended strand (participates in β ladder)trans-114131.6-179.4-167.9169.7125.800110.7M194 V196 I206M194-M204 PolarHBondContact N-O 3.14Å; M194-M204 PolarHBondContact O-N 2.73Å; V196-M204 HydrophobicContact CG2-CB 4.2Å; M204-I206 HydrophobicContact CE-CD1 3.8Å; M204-I206 HydrophobicContact CE-CG1 3.69Å
205C36.6Very low35.5Very low75 Ų75110.3 Ų110.351%0.50757%0.569SS.*EExtended strand (participates in β ladder)trans-99.3122.2175.2-63.40000110Q193Q193-C205 VanDerWaalsContact CG-SG 3.55Å
206I35.5Very low35.7Very low67 Ų67109.8 Ų109.834%0.34457%0.569SS.*EExtended strand (participates in β ladder)trans-113.9137.6173.8-55.9176.4000108.5H191 I192 M204 H210H191-I206 CarbonylContact C-O 3.56Å; H191-I206 WeakPolarHBondContact CA-O 3.35Å; I192-I206 PolarHBondContact N-O 3.19Å; I192-I206 PolarHBondContact O-N 3.48Å; M204-I206 HydrophobicContact CE-CD1 3.8Å; M204-I206 HydrophobicContact CE-CG1 3.69Å; I206-H210 HydrophobicContact CG2-CB 4.44Å
207S33Very low35.5Very low35 Ų35109.9 Ų109.925%0.24557%0.571CS.*EExtended strand (participates in β ladder)trans-61.1133.7179155.80000112.8D190 Q209 H210D190-S207 CarbonylContact O-C 3.3Å; D190-S207 VanDerWaalsContact O-C 3.3Å; D190-S207 WeakPolarHBondContact O-CA 3.41Å; D190-S207 WeakPolarHBondContact O-CB 3.49Å; D190-S207 PolarHBondContact O-OG 3.46Å; S207-Q209 PolarHBondContact O-N 3.2Å; S207-Q209 VanDerWaalsContact O-N 3.17Å; S207-Q209 PolarHBondContact OG-N 3.05Å; S207-H210 PolarHBondContact O-N 3.07Å
208K35Very low35.5Very low118 Ų118112.7 Ų112.751%0.51358%0.582SS.*G310 helixtrans-58.3-23175.7-89.3-169.7175-177.90113D190 I192 H210 G211D190-K208 HydrophobicContact CB-CB 3.93Å; D190-K208 PolarHBondContact O-N 3.48Å; I192-K208 HydrophobicContact CB-CG 4.45Å; I192-K208 HydrophobicContact CD1-CD 4.21Å; I192-K208 HydrophobicContact CD1-CG 3.48Å; I192-K208 VanDerWaalsContact CD1-CG 3.48Å; I192-K208 HydrophobicContact CG1-CD 4.07Å; I192-K208 VanDerWaalsContact CG1-CE 3.44Å; I192-K208 HydrophobicContact CG1-CG 3.43Å; I192-K208 VanDerWaalsContact CG1-CG 3.43Å; K208-H210 PolarHBondContact O-N 3.35Å; K208-H210 VanDerWaalsContact O-N 3.16Å; K208-G211 PolarHBondContact O-N 3.04Å
209Q39.5Very low35.5Very low145 Ų145107.7 Ų107.768%0.67855%0.553SS**G310 helixtrans-73.6-1.8175.7-61.8-172.81.100113.1D190 S207D190-Q209 HydrophobicContact CB-CG 4.25Å; D190-Q209 PolarHBondContact OD2-NE2 3.38Å; S207-Q209 PolarHBondContact O-N 3.2Å; S207-Q209 VanDerWaalsContact O-N 3.17Å; S207-Q209 PolarHBondContact OG-N 3.05Å
210H39.1Very low35.5Very low104 Ų104104 Ų10448%0.48154%0.538SS..G310 helixtrans-105.41.8166.5-62-60000113.4I206 S207 K208 F214I206-H210 HydrophobicContact CG2-CB 4.44Å; S207-H210 PolarHBondContact O-N 3.07Å; K208-H210 PolarHBondContact O-N 3.35Å; K208-H210 VanDerWaalsContact O-N 3.16Å; H210-F214 HydrophobicContact CB-CD2 4.36Å; H210-F214 HydrophobicContact CB-CE2 4.34Å; H210-F214 WeakPolarHBondContact O-CD2 3.07Å
211G32.1Very low36Very low42 Ų42105.5 Ų105.543%0.43354%0.541SS..G310 helixtrans-67.8-38.8-176.100000113.9K208K208-G211 PolarHBondContact O-N 3.04Å
212D34.8Very low36.5Very low168 Ų16899.1 Ų99.190%0.89852%0.517SS*.G310 helixtrans-95.72.9-171-63.4-28.1000114.2
213A35.4Very low37.4Very low72 Ų7294.6 Ų94.660%0.59550%0.499SS*.G310 helixtrans-110.13.418000000114.8
214F35.9Very low37.9Very low84 Ų8495.4 Ų95.437%0.36850%0.503SS..  trans-132.673.6-173.9-72.9-84.2000114.9Y160 H210 F219Y160-F214 WeakPolarHBondContact OH-CE1 3.47Å; Y160-F214 VanDerWaalsContact OH-CZ 3.31Å; Y160-F214 WeakPolarHBondContact OH-CZ 3.4Å; H210-F214 HydrophobicContact CB-CD2 4.36Å; H210-F214 HydrophobicContact CB-CE2 4.34Å; H210-F214 WeakPolarHBondContact O-CD2 3.07Å; F214-F219 HydrophobicContact CD1-CB 4.2Å; F214-F219 AromaticContact CD1-CD1 3.9Å; F214-F219 HydrophobicContact CD1-CD1 3.9Å; F214-F219 HydrophobicContact CD1-CG 4.03Å; F214-F219 HydrophobicContact CE1-CB 4.41Å; F214-F219 AromaticContact CE1-CD1 3.9Å; F214-F219 HydrophobicContact CE1-CD1 3.9Å; F214-F219 HydrophobicContact CE1-CD2 4.18Å; F214-F219 HydrophobicContact CE1-CE1 4.19Å; F214-F219 HydrophobicContact CE1-CE2 4.45Å; F214-F219 AromaticContact CE1-CG 3.89Å; F214-F219 HydrophobicContact CE1-CG 3.89Å; F214-F219 HydrophobicContact CE1-CZ 4.45Å
215P33.3Very low38.5Very low108 Ų10897.4 Ų97.470%0.70151%0.509SS*.  trans-100.260.7151.437.7-26.6000108.7
216Y34.8Very low38.9Very low166 Ų16697.1 Ų97.165%0.65150%0.502SS*.  trans-120.3105161.7-94.4-85.4000109D218 F219Y216-D218 PolarHBondContact O-N 3.32Å; Y216-F219 PolarHBondContact O-N 3.13Å
217P40.5Very low39.3Very low98 Ų98103 Ų10364%0.63652%0.521SS*.Hα-helixtrans-48.6-27.6173.6-28.134.9000113.5F219 L220 Q221P217-F219 VanDerWaalsContact C-N 3.35Å; P217-F219 PolarHBondContact O-N 2.85Å; P217-L220 PolarHBondContact O-N 3.45Å; P217-Q221 PolarHBondContact O-N 3.12Å; P217-Q221 VanDerWaalsContact O-N 3.13Å
218D36.6Very low40.1Very low107 Ų107105 Ų10557%0.57253%0.532SS*.Hα-helixtrans-66.1-30.6179.6-65.9-35.3000113.9Y216 Y222Y216-D218 PolarHBondContact O-N 3.32Å; D218-Y222 VanDerWaalsContact O-CB 3.29Å; D218-Y222 WeakPolarHBondContact O-CB 3.48Å; D218-Y222 PolarHBondContact O-N 3.43Å
219F42.6Very low40.9Very low67 Ų67102 Ų10229%0.29453%0.534SS..Hα-helixtrans-72.8-40.4177.7-175.2-103.5000111.7Y160 F214 Y216 P217 Q221 Y222 V223Y160-F219 HydrophobicContact CE1-CD2 4.1Å; Y160-F219 HydrophobicContact CE1-CE2 4.06Å; Y160-F219 AromaticContact CZ-CE2 3.72Å; Y160-F219 WeakPolarHBondContact OH-CD2 3.49Å; Y160-F219 WeakPolarHBondContact OH-CE2 3.5Å; F214-F219 HydrophobicContact CD1-CB 4.2Å; F214-F219 AromaticContact CD1-CD1 3.9Å; F214-F219 HydrophobicContact CD1-CD1 3.9Å; F214-F219 HydrophobicContact CD1-CG 4.03Å; F214-F219 HydrophobicContact CE1-CB 4.41Å; F214-F219 AromaticContact CE1-CD1 3.9Å; F214-F219 HydrophobicContact CE1-CD1 3.9Å; F214-F219 HydrophobicContact CE1-CD2 4.18Å; F214-F219 HydrophobicContact CE1-CE1 4.19Å; F214-F219 HydrophobicContact CE1-CE2 4.45Å; F214-F219 AromaticContact CE1-CG 3.89Å; F214-F219 HydrophobicContact CE1-CG 3.89Å; F214-F219 HydrophobicContact CE1-CZ 4.45Å; Y216-F219 PolarHBondContact O-N 3.13Å; P217-F219 VanDerWaalsContact C-N 3.35Å; P217-F219 PolarHBondContact O-N 2.85Å; F219-Q221 VanDerWaalsContact C-N 3.33Å; F219-Y222 HydrophobicContact CE2-CD1 4.49Å; F219-Y222 WeakPolarHBondContact O-CB 3.47Å; F219-Y222 PolarHBondContact O-N 2.77Å; F219-V223 HydrophobicContact CD1-CG2 4.14Å; F219-V223 HydrophobicContact CE1-CG2 3.7Å; F219-V223 HydrophobicContact CE2-CG2 4.18Å; F219-V223 HydrophobicContact CZ-CG2 3.72Å; F219-V223 WeakPolarHBondContact O-CG2 3.35Å; F219-V223 PolarHBondContact O-N 3.48Å
220L41Very low41.8Very low112 Ų112102.2 Ų102.259%0.58653%0.533SS*.Hα-helixtrans-62-43.6173.5-72.1170.2000110.6P217 Y222 V223 E224P217-L220 PolarHBondContact O-N 3.45Å; L220-Y222 VanDerWaalsContact C-N 3.29Å; L220-Y222 PolarHBondContact O-N 3.46Å; L220-V223 PolarHBondContact O-N 3.26Å; L220-E224 WeakPolarHBondContact O-CB 3.41Å; L220-E224 PolarHBondContact O-N 3.36Å
221Q44.5Very low43.3Very low100 Ų100102.7 Ų102.747%0.46753%0.534SS..Hα-helixtrans-64.6-33.4175.3-160.2-170.584.700112.5P217 F219 K225P217-Q221 PolarHBondContact O-N 3.12Å; P217-Q221 VanDerWaalsContact O-N 3.13Å; F219-Q221 VanDerWaalsContact C-N 3.33Å; Q221-K225 WeakPolarHBondContact O-CB 3.44Å; Q221-K225 WeakPolarHBondContact O-CG 3.49Å; Q221-K225 PolarHBondContact O-N 3.47Å; Q221-K225 VanDerWaalsContact OE1-NZ 3.13Å
222Y44.7Very low45.2Very low84 Ų84105 Ų10533%0.32954%0.541SS..Hα-helixtrans-68.5-45175.5178.1-100.7000112.1D218 F219 L220 K225 I226D218-Y222 VanDerWaalsContact O-CB 3.29Å; D218-Y222 WeakPolarHBondContact O-CB 3.48Å; D218-Y222 PolarHBondContact O-N 3.43Å; F219-Y222 HydrophobicContact CE2-CD1 4.49Å; F219-Y222 WeakPolarHBondContact O-CB 3.47Å; F219-Y222 PolarHBondContact O-N 2.77Å; L220-Y222 VanDerWaalsContact C-N 3.29Å; L220-Y222 PolarHBondContact O-N 3.46Å; Y222-K225 PolarHBondContact O-N 3.2Å; Y222-I226 HydrophobicContact CD1-CD1 4Å; Y222-I226 HydrophobicContact CE1-CD1 3.45Å; Y222-I226 VanDerWaalsContact CE1-CD1 3.45Å; Y222-I226 HydrophobicContact CE2-CD1 4.31Å; Y222-I226 WeakPolarHBondContact O-CG1 3.44Å; Y222-I226 PolarHBondContact O-N 3.01Å; Y222-I226 VanDerWaalsContact O-N 3.16Å
223V45.2Very low47.2Very low45 Ų45101.5 Ų101.527%0.27352%0.516SS..Hα-helixtrans-68.1-41.6177.5177.20000111.1F219 L220 K225 I226 Y227F219-V223 HydrophobicContact CD1-CG2 4.14Å; F219-V223 HydrophobicContact CE1-CG2 3.7Å; F219-V223 HydrophobicContact CE2-CG2 4.18Å; F219-V223 HydrophobicContact CZ-CG2 3.72Å; F219-V223 WeakPolarHBondContact O-CG2 3.35Å; F219-V223 PolarHBondContact O-N 3.48Å; L220-V223 PolarHBondContact O-N 3.26Å; V223-K225 VanDerWaalsContact C-N 3.33Å; V223-K225 PolarHBondContact O-N 2.85Å; V223-I226 PolarHBondContact O-N 3.39Å; V223-I226 VanDerWaalsContact O-N 3.12Å; V223-Y227 HydrophobicContact CG1-CD2 4.22Å; V223-Y227 PolarHBondContact O-N 3.06Å
224E42.1Very low49.3Very low121 Ų121100.5 Ų100.557%0.56551%0.508SS*.Hα-helixtrans-58.9-41.8172.2-83.5-173.9149.700112.2L220 I226 Y227 T228L220-E224 WeakPolarHBondContact O-CB 3.41Å; L220-E224 PolarHBondContact O-N 3.36Å; E224-I226 VanDerWaalsContact C-N 3.27Å; E224-I226 PolarHBondContact O-N 3.41Å; E224-Y227 PolarHBondContact O-N 3.32Å; E224-T228 WeakPolarHBondContact O-CB 3.45Å; E224-T228 VanDerWaalsContact O-CG2 3.25Å; E224-T228 WeakPolarHBondContact O-CG2 3.45Å; E224-T228 PolarHBondContact O-N 3.12Å; E224-T228 PolarHBondContact O-OG1 3.03Å
225K45.4Very low51.5Low127 Ų12796.7 Ų96.755%0.55249%0.492SS*.Hα-helixtrans-63.7-30.4175.6-91.2172.3179.2156.70113.1Q221 Y222 V223 T228Q221-K225 WeakPolarHBondContact O-CB 3.44Å; Q221-K225 WeakPolarHBondContact O-CG 3.49Å; Q221-K225 PolarHBondContact O-N 3.47Å; Q221-K225 VanDerWaalsContact OE1-NZ 3.13Å; Y222-K225 PolarHBondContact O-N 3.2Å; V223-K225 VanDerWaalsContact C-N 3.33Å; V223-K225 PolarHBondContact O-N 2.85Å; K225-T228 PolarHBondContact O-OG1 2.98Å
226I45.1Very low53.8Low70 Ų70101.3 Ų101.336%0.35950%0.501SS..Hα-helixtrans-75.7-42.7176.6-68.7175.3000111.1Y222 V223 E224 F244Y222-I226 HydrophobicContact CD1-CD1 4Å; Y222-I226 HydrophobicContact CE1-CD1 3.45Å; Y222-I226 VanDerWaalsContact CE1-CD1 3.45Å; Y222-I226 HydrophobicContact CE2-CD1 4.31Å; Y222-I226 WeakPolarHBondContact O-CG1 3.44Å; Y222-I226 PolarHBondContact O-N 3.01Å; Y222-I226 VanDerWaalsContact O-N 3.16Å; V223-I226 PolarHBondContact O-N 3.39Å; V223-I226 VanDerWaalsContact O-N 3.12Å; E224-I226 VanDerWaalsContact C-N 3.27Å; E224-I226 PolarHBondContact O-N 3.41Å; I226-F244 HydrophobicContact CG1-CZ 4.48Å
227Y43.9Very low55.8Low189 Ų189100.1 Ų100.174%0.74150%0.501SS*.Hα-helixtrans-80.5-24.9-176.6-92.3-90000114.5V223 E224 G229V223-Y227 HydrophobicContact CG1-CD2 4.22Å; V223-Y227 PolarHBondContact O-N 3.06Å; E224-Y227 PolarHBondContact O-N 3.32Å; Y227-G229 PolarHBondContact O-N 3.44Å
228T50.5Low57.9Low77 Ų7798 Ų9847%0.47249%0.488SS..THydrogen-bonded Turntrans-67.1-1.8175.646.90000114E224 K225 K230E224-T228 WeakPolarHBondContact O-CB 3.45Å; E224-T228 VanDerWaalsContact O-CG2 3.25Å; E224-T228 WeakPolarHBondContact O-CG2 3.45Å; E224-T228 PolarHBondContact O-N 3.12Å; E224-T228 PolarHBondContact O-OG1 3.03Å; K225-T228 PolarHBondContact O-OG1 2.98Å; T228-K230 PolarHBondContact O-N 2.82Å
229G51.6Low60Low55 Ų5595.4 Ų95.457%0.56749%0.487SS*.  trans62.46177.500000114Y227 K231Y227-G229 PolarHBondContact O-N 3.44Å; G229-K231 PolarHBondContact O-N 3.45Å
230K57.9Low61.9Low150 Ų15098.2 Ų98.265%0.65250%0.499SS*.  trans-68.6122.8-177-71.3-179.6-178.31760108.5T228 P232T228-K230 PolarHBondContact O-N 2.82Å; K230-P232 VanDerWaalsContact C-CD 3.41Å; K230-P232 WeakPolarHBondContact O-CD 3.38Å
231K71.7Confident63.5Low114 Ų11496.1 Ų96.150%0.49649%0.491SS..  trans-108.377.2175.2-65.8-178.8-177.3175.70108.9G229 Y233 T241 F242G229-K231 PolarHBondContact O-N 3.45Å; K231-Y233 PolarHBondContact O-N 3.08Å; K231-T241 WeakPolarHBondContact O-CB 3.46Å; K231-F242 CarbonylContact C-O 3.32Å; K231-F242 WeakPolarHBondContact CA-O 3.22Å
232P72Confident65Low90 Ų9093.4 Ų93.458%0.58448%0.477SS*.  trans-69.3-21.6-169.826.7-34.1000113.3K230 A234K230-P232 VanDerWaalsContact C-CD 3.41Å; K230-P232 WeakPolarHBondContact O-CD 3.38Å; P232-A234 PolarHBondContact O-N 3.36Å
233Y76.5Confident66.4Low95 Ų9592 Ų9237%0.37348%0.48SS..EExtended strand (participates in β ladder)trans-91.796.2-173.4-55.3-75.1000111.1K231 T241 F242 S243 L245 I248K231-Y233 PolarHBondContact O-N 3.08Å; Y233-T241 CarbonylContact O-C 3.48Å; Y233-T241 WeakPolarHBondContact O-CA 3.48Å; Y233-F242 WeakPolarHBondContact CB-O 3.22Å; Y233-F242 WeakPolarHBondContact CD2-O 3.36Å; Y233-F242 PolarHBondContact N-O 3.41Å; Y233-F242 VanDerWaalsContact N-O 3.14Å; Y233-F242 PolarHBondContact O-N 3.29Å; Y233-S243 WeakPolarHBondContact CE2-O 3.39Å; Y233-L245 HydrophobicContact CD1-CB 4.36Å; Y233-L245 HydrophobicContact CD1-CD1 3.89Å; Y233-L245 HydrophobicContact CE1-CB 4.11Å; Y233-L245 HydrophobicContact CE1-CD1 4.08Å; Y233-I248 HydrophobicContact CG-CG2 4.45Å
234A79.4Confident67.7Low52 Ų5294 Ų9443%0.4349%0.485SS..EExtended strand (participates in β ladder)trans-90.9131.1177.400000112.1P232 K236 K240 T241 I248P232-A234 PolarHBondContact O-N 3.36Å; A234-K236 PolarHBondContact O-N 3.43Å; A234-K240 CarbonylContact C-O 3.45Å; A234-K240 WeakPolarHBondContact CA-O 3.49Å; A234-T241 HydrophobicContact CB-CG2 3.83Å; A234-I248 VanDerWaalsContact O-CD1 3.26Å; A234-I248 WeakPolarHBondContact O-CD1 3.49Å
235C82.2Confident69.3Low3 Ų392 Ų922%0.0248%0.478CS..  trans-68121.6171179.10000109.9Q237 C238 G239 K240 F242 I248 H255C235-Q237 PolarHBondContact O-N 3.06Å; C235-C238 VanDerWaalsContact SG-SG 3.69Å; C235-G239 VanDerWaalsContact O-CA 3.23Å; C235-G239 WeakPolarHBondContact O-CA 3.36Å; C235-G239 PolarHBondContact O-N 3.12Å; C235-K240 PolarHBondContact N-O 3.18Å; C235-F242 HydrophobicContact CB-CE2 4.43Å; C235-I248 HydrophobicContact CB-CD1 4.37Å; C235-H255 PolarHBondContact SG-NE2 3.24Å; C235-H255 VanDerWaalsContact SG-NE2 3.44Å
236K80.9Confident70.7Confident205 Ų20589.9 Ų89.989%0.89148%0.479SS*.THydrogen-bonded Turntrans-63.3-25.5-179.7-64.5-178178.8-179.70113.7A234A234-K236 PolarHBondContact O-N 3.43Å
237Q78.7Confident72.2Confident142 Ų14288.8 Ų88.866%0.66447%0.474SS*.THydrogen-bonded Turntrans-92.2-27.7-175.1-70.5-178.4-7.200114.4C235 H255C235-Q237 PolarHBondContact O-N 3.06Å; Q237-H255 PolarHBondContact OE1-CD2 3.15Å
238C83.1Confident73.8Confident53 Ų5380.2 Ų80.236%0.35844%0.441SS..THydrogen-bonded Turntrans-130.51.2179.571.60000115.3C235 K240 H251 H255C235-C238 VanDerWaalsContact SG-SG 3.69Å; C238-K240 PolarHBondContact O-N 2.92Å; C238-K240 VanDerWaalsContact O-N 3.14Å; C238-H251 PolarHBondContact SG-NE2 2.94Å; C238-H255 PolarHBondContact SG-NE2 3.21Å; C238-H255 VanDerWaalsContact SG-NE2 3.4Å
239G81.9Confident75.3Confident53 Ų5384.1 Ų84.155%0.54645%0.447SS..  trans72.7-1.917800000115.4C235 T241C235-G239 VanDerWaalsContact O-CA 3.23Å; C235-G239 WeakPolarHBondContact O-CA 3.36Å; C235-G239 PolarHBondContact O-N 3.12Å; G239-T241 PolarHBondContact O-N 3.43Å
240K82.4Confident76.7Confident126 Ų12686.3 Ų86.355%0.54844%0.438SS..  trans-64.7130.9179.6-71.8179.3-176.9175.10110.9A234 C235 C238 F242A234-K240 CarbonylContact C-O 3.45Å; A234-K240 WeakPolarHBondContact CA-O 3.49Å; C235-K240 PolarHBondContact N-O 3.18Å; C238-K240 PolarHBondContact O-N 2.92Å; C238-K240 VanDerWaalsContact O-N 3.14Å; K240-F242 HydrophobicContact CB-CE2 3.73Å; K240-F242 HydrophobicContact CB-CZ 3.94Å; K240-F242 WeakPolarHBondContact O-CD2 3.42Å; K240-F242 VanDerWaalsContact O-CE2 3.26Å; K240-F242 WeakPolarHBondContact O-CE2 3.48Å
241T75Confident77.8Confident68 Ų6880.2 Ų80.242%0.41741%0.412SS..EExtended strand (participates in β ladder)trans-99.9142.9-17954.70000112.1K231 Y233 A234 G239K231-T241 WeakPolarHBondContact O-CB 3.46Å; Y233-T241 CarbonylContact O-C 3.48Å; Y233-T241 WeakPolarHBondContact O-CA 3.48Å; A234-T241 HydrophobicContact CB-CG2 3.83Å; G239-T241 PolarHBondContact O-N 3.43Å
242F74.1Confident78.3Confident42 Ų4278.6 Ų78.618%0.18441%0.406CS..EExtended strand (participates in β ladder)trans-131.2148.1-176.9-59.6-89.7000110.5K231 Y233 C235 K240 N247 I248 H251K231-F242 CarbonylContact C-O 3.32Å; K231-F242 WeakPolarHBondContact CA-O 3.22Å; Y233-F242 WeakPolarHBondContact CB-O 3.22Å; Y233-F242 WeakPolarHBondContact CD2-O 3.36Å; Y233-F242 PolarHBondContact N-O 3.41Å; Y233-F242 VanDerWaalsContact N-O 3.14Å; Y233-F242 PolarHBondContact O-N 3.29Å; C235-F242 HydrophobicContact CB-CE2 4.43Å; K240-F242 HydrophobicContact CB-CE2 3.73Å; K240-F242 HydrophobicContact CB-CZ 3.94Å; K240-F242 WeakPolarHBondContact O-CD2 3.42Å; K240-F242 VanDerWaalsContact O-CE2 3.26Å; K240-F242 WeakPolarHBondContact O-CE2 3.48Å; F242-N247 HydrophobicContact CB-CB 4.16Å; F242-N247 HydrophobicContact CD1-CB 4.01Å; F242-N247 HydrophobicContact CG-CB 4.38Å; F242-I248 HydrophobicContact CB-CB 4.23Å; F242-I248 HydrophobicContact CD2-CB 3.77Å; F242-I248 HydrophobicContact CD2-CD1 4.43Å; F242-I248 HydrophobicContact CD2-CG1 4.09Å; F242-I248 HydrophobicContact CG-CB 4.15Å; F242-H251 HydrophobicContact CE1-CB 3.91Å; F242-H251 HydrophobicContact CE2-CB 3.93Å; F242-H251 AromaticContact CE2-CD2 3.23Å; F242-H251 WeakPolarHBondContact CE2-CD2 3.27Å; F242-H251 AromaticContact CE2-CG 3.59Å; F242-H251 AromaticContact CE2-NE2 3.91Å; F242-H251 HydrophobicContact CZ-CB 3.46Å; F242-H251 VanDerWaalsContact CZ-CB 3.46Å; F242-H251 AromaticContact CZ-CD2 3.35Å; F242-H251 WeakPolarHBondContact CZ-CD2 3.37Å; F242-H251 AromaticContact CZ-CG 3.19Å; F242-H251 AromaticContact CZ-ND1 3.78Å; F242-H251 AromaticContact CZ-NE2 3.94Å
243S75.2Confident79Confident56 Ų5677.7 Ų77.739%0.39239%0.391SS..SBendtrans-75.5-25.8178.7-44.20000113Y233Y233-S243 WeakPolarHBondContact CE2-O 3.39Å
244F71.2Confident79.1Confident85 Ų8577.1 Ų77.137%0.37340%0.398SS..SBendtrans-129.7142.9-174.9-60.3-78000111.8I226 S246 N247 I248I226-F244 HydrophobicContact CG1-CZ 4.48Å; F244-S246 VanDerWaalsContact C-N 3.27Å; F244-S246 PolarHBondContact O-N 2.83Å; F244-N247 HydrophobicContact CB-CB 4.45Å; F244-N247 WeakPolarHBondContact O-CB 3.31Å; F244-N247 PolarHBondContact O-N 3.11Å; F244-N247 VanDerWaalsContact O-N 3.08Å; F244-I248 PolarHBondContact O-N 3.38Å
245L75.7Confident79.3Confident80 Ų8078.1 Ų78.142%0.41939%0.393SS..Hα-helixtrans-60.8-35.1177.7-173.265.5000112.4Y233 N247 I248 R249Y233-L245 HydrophobicContact CD1-CB 4.36Å; Y233-L245 HydrophobicContact CD1-CD1 3.89Å; Y233-L245 HydrophobicContact CE1-CB 4.11Å; Y233-L245 HydrophobicContact CE1-CD1 4.08Å; L245-N247 VanDerWaalsContact C-N 3.29Å; L245-N247 PolarHBondContact O-N 3.3Å; L245-I248 HydrophobicContact CD1-CG2 3.85Å; L245-I248 WeakPolarHBondContact O-CG2 3.47Å; L245-I248 PolarHBondContact O-N 2.93Å; L245-R249 WeakPolarHBondContact O-CG 3.36Å; L245-R249 PolarHBondContact O-N 2.85Å
246S75Confident79.5Confident83 Ų8382 Ų8258%0.5842%0.417SS*.Hα-helixtrans-63.1-35.2175.556.70000112.4F244 R250F244-S246 VanDerWaalsContact C-N 3.27Å; F244-S246 PolarHBondContact O-N 2.83Å; S246-R250 WeakPolarHBondContact O-CB 3.42Å; S246-R250 PolarHBondContact O-N 3.03Å
247N77.1Confident79.5Confident46 Ų4674.5 Ų74.525%0.24640%0.398CS..Hα-helixtrans-72-41.6179.4-76.2-29.3000112.4F242 F244 L245 R250 H251F242-N247 HydrophobicContact CB-CB 4.16Å; F242-N247 HydrophobicContact CD1-CB 4.01Å; F242-N247 HydrophobicContact CG-CB 4.38Å; F244-N247 HydrophobicContact CB-CB 4.45Å; F244-N247 WeakPolarHBondContact O-CB 3.31Å; F244-N247 PolarHBondContact O-N 3.11Å; F244-N247 VanDerWaalsContact O-N 3.08Å; L245-N247 VanDerWaalsContact C-N 3.29Å; L245-N247 PolarHBondContact O-N 3.3Å; N247-R250 PolarHBondContact O-N 3.14Å; N247-R250 PolarHBondContact OD1-NH2 2.89Å; N247-H251 VanDerWaalsContact O-CB 3.32Å; N247-H251 WeakPolarHBondContact O-CB 3.47Å; N247-H251 PolarHBondContact O-N 3.16Å
248I78.4Confident79.7Confident9 Ų973.3 Ų73.35%0.04639%0.392CS..Hα-helixtrans-65.7-44.8173.7-177.8165.2000111.2Y233 A234 C235 F242 F244 L245 R250 H251 E252Y233-I248 HydrophobicContact CG-CG2 4.45Å; A234-I248 VanDerWaalsContact O-CD1 3.26Å; A234-I248 WeakPolarHBondContact O-CD1 3.49Å; C235-I248 HydrophobicContact CB-CD1 4.37Å; F242-I248 HydrophobicContact CB-CB 4.23Å; F242-I248 HydrophobicContact CD2-CB 3.77Å; F242-I248 HydrophobicContact CD2-CD1 4.43Å; F242-I248 HydrophobicContact CD2-CG1 4.09Å; F242-I248 HydrophobicContact CG-CB 4.15Å; F244-I248 PolarHBondContact O-N 3.38Å; L245-I248 HydrophobicContact CD1-CG2 3.85Å; L245-I248 WeakPolarHBondContact O-CG2 3.47Å; L245-I248 PolarHBondContact O-N 2.93Å; I248-R250 VanDerWaalsContact C-N 3.31Å; I248-R250 PolarHBondContact O-N 3.07Å; I248-H251 CarbonylContact O-C 3.46Å; I248-H251 WeakPolarHBondContact O-CA 3.45Å; I248-H251 WeakPolarHBondContact O-CB 3.28Å; I248-H251 PolarHBondContact O-N 3.35Å; I248-E252 HydrophobicContact CG1-CG 4.25Å; I248-E252 WeakPolarHBondContact O-CG 3.28Å; I248-E252 PolarHBondContact O-N 3.2Å
249R80.9Confident79.8Confident159 Ų15976 Ų7660%0.640%0.398SS*.Hα-helixtrans-58.6-43176.3-75-175.5-179-1771.3112L245 H251 E252L245-R249 WeakPolarHBondContact O-CG 3.36Å; L245-R249 PolarHBondContact O-N 2.85Å; R249-H251 VanDerWaalsContact C-N 3.29Å; R249-H251 PolarHBondContact O-N 3.4Å; R249-E252 PolarHBondContact O-N 3.38Å
250R81.2Confident79.9Confident102 Ų10277 Ų7739%0.38539%0.394SS..Hα-helixtrans-63-36.7173.317817558.9169.9-4.6111.9S246 N247 I248 R253 C272S246-R250 WeakPolarHBondContact O-CB 3.42Å; S246-R250 PolarHBondContact O-N 3.03Å; N247-R250 PolarHBondContact O-N 3.14Å; N247-R250 PolarHBondContact OD1-NH2 2.89Å; I248-R250 VanDerWaalsContact C-N 3.31Å; I248-R250 PolarHBondContact O-N 3.07Å; R250-R253 WeakPolarHBondContact O-CB 3.44Å; R250-C272 HydrophobicContact CG-CB 4.32Å
251H80.3Confident80.1Confident22 Ų2274.6 Ų74.610%0.10238%0.383CS..Hα-helixtrans-71.8-37.1176.8164.464.4000112.8C238 F242 N247 I248 R249 R253 T254 H255C238-H251 PolarHBondContact SG-NE2 2.94Å; F242-H251 HydrophobicContact CE1-CB 3.91Å; F242-H251 HydrophobicContact CE2-CB 3.93Å; F242-H251 AromaticContact CE2-CD2 3.23Å; F242-H251 WeakPolarHBondContact CE2-CD2 3.27Å; F242-H251 AromaticContact CE2-CG 3.59Å; F242-H251 AromaticContact CE2-NE2 3.91Å; F242-H251 HydrophobicContact CZ-CB 3.46Å; F242-H251 VanDerWaalsContact CZ-CB 3.46Å; F242-H251 AromaticContact CZ-CD2 3.35Å; F242-H251 WeakPolarHBondContact CZ-CD2 3.37Å; F242-H251 AromaticContact CZ-CG 3.19Å; F242-H251 AromaticContact CZ-ND1 3.78Å; F242-H251 AromaticContact CZ-NE2 3.94Å; N247-H251 VanDerWaalsContact O-CB 3.32Å; N247-H251 WeakPolarHBondContact O-CB 3.47Å; N247-H251 PolarHBondContact O-N 3.16Å; I248-H251 CarbonylContact O-C 3.46Å; I248-H251 WeakPolarHBondContact O-CA 3.45Å; I248-H251 WeakPolarHBondContact O-CB 3.28Å; I248-H251 PolarHBondContact O-N 3.35Å; R249-H251 VanDerWaalsContact C-N 3.29Å; R249-H251 PolarHBondContact O-N 3.4Å; H251-R253 PolarHBondContact O-N 2.78Å; H251-R253 VanDerWaalsContact O-N 3.16Å; H251-T254 PolarHBondContact ND1-OG1 2.84Å; H251-T254 WeakPolarHBondContact O-CA 3.32Å; H251-T254 VanDerWaalsContact O-CB 3.25Å; H251-T254 WeakPolarHBondContact O-CB 3.47Å; H251-T254 WeakPolarHBondContact O-CG2 3.38Å; H251-T254 PolarHBondContact O-N 3.12Å; H251-T254 PolarHBondContact O-OG1 3.03Å; H251-H255 AromaticContact CE1-NE2 3.79Å; H251-H255 AromaticContact NE2-NE2 3.55Å
252E84.1Confident80.5Confident80 Ų8080.5 Ų80.537%0.37440%0.397SS..Hα-helixtrans-58.4-29.2176.9-74.8174158.200112.1I248 R249 T254 H255 T256I248-E252 HydrophobicContact CG1-CG 4.25Å; I248-E252 WeakPolarHBondContact O-CG 3.28Å; I248-E252 PolarHBondContact O-N 3.2Å; R249-E252 PolarHBondContact O-N 3.38Å; E252-T254 PolarHBondContact O-N 3.45Å; E252-T254 VanDerWaalsContact O-N 3.1Å; E252-H255 WeakPolarHBondContact O-CB 3.45Å; E252-H255 PolarHBondContact O-N 3.03Å; E252-T256 PolarHBondContact O-N 3.27Å; E252-T256 VanDerWaalsContact O-N 3.15Å
253R85.6Confident81.1Confident70 Ų7079 Ų7926%0.26439%0.392SS..Hα-helixtrans-57-23.6169.8-63.1179.1-176.8169.9-0.4113.9R250 H251 H255 T256 G257 E258 T271R250-R253 WeakPolarHBondContact O-CB 3.44Å; H251-R253 PolarHBondContact O-N 2.78Å; H251-R253 VanDerWaalsContact O-N 3.16Å; R253-H255 VanDerWaalsContact C-N 3.27Å; R253-T256 WeakPolarHBondContact CA-OG1 3.33Å; R253-G257 WeakPolarHBondContact O-CA 3.47Å; R253-G257 PolarHBondContact O-N 2.82Å; R253-E258 HydrophobicContact CB-CB 4.49Å; R253-E258 HydrophobicContact CG-CB 4.37Å; R253-E258 PolarHBondContact O-N 2.91Å; R253-T271 HydrophobicContact CB-CG2 4.02Å; R253-T271 PolarHBondContact NH1-O 3.21Å
254T79.5Confident81.6Confident83 Ų8384 Ų8451%0.50942%0.415SS..Hα-helixtrans-71.9-22.8175.167.50000112.8H251 E252H251-T254 PolarHBondContact ND1-OG1 2.84Å; H251-T254 WeakPolarHBondContact O-CA 3.32Å; H251-T254 VanDerWaalsContact O-CB 3.25Å; H251-T254 WeakPolarHBondContact O-CB 3.47Å; H251-T254 WeakPolarHBondContact O-CG2 3.38Å; H251-T254 PolarHBondContact O-N 3.12Å; H251-T254 PolarHBondContact O-OG1 3.03Å; E252-T254 PolarHBondContact O-N 3.45Å; E252-T254 VanDerWaalsContact O-N 3.1Å
255H83.4Confident82Confident74 Ų7484.8 Ų84.834%0.34343%0.426SS..Hα-helixtrans-90.4-40.8174.3-63-63.2000112.7C235 Q237 C238 H251 E252 R253 G257C235-H255 PolarHBondContact SG-NE2 3.24Å; C235-H255 VanDerWaalsContact SG-NE2 3.44Å; Q237-H255 PolarHBondContact OE1-CD2 3.15Å; C238-H255 PolarHBondContact SG-NE2 3.21Å; C238-H255 VanDerWaalsContact SG-NE2 3.4Å; H251-H255 AromaticContact CE1-NE2 3.79Å; H251-H255 AromaticContact NE2-NE2 3.55Å; E252-H255 WeakPolarHBondContact O-CB 3.45Å; E252-H255 PolarHBondContact O-N 3.03Å; R253-H255 VanDerWaalsContact C-N 3.27Å; H255-G257 VanDerWaalsContact C-N 3.26Å; H255-G257 PolarHBondContact O-N 3.36Å
256T84.8Confident82.5Confident85 Ų8582.6 Ų82.652%0.52142%0.417SS..Hα-helixtrans-74.7-19.2177.763.80000112.6E252 R253 E258E252-T256 PolarHBondContact O-N 3.27Å; E252-T256 VanDerWaalsContact O-N 3.15Å; R253-T256 WeakPolarHBondContact CA-OG1 3.33Å; T256-E258 PolarHBondContact O-N 3.37Å; T256-E258 WeakPolarHBondContact OG1-CB 3.47Å; T256-E258 WeakPolarHBondContact OG1-CG 3.45Å; T256-E258 PolarHBondContact OG1-N 3.01Å
257G81.5Confident83Confident47 Ų4787.1 Ų87.149%0.48544%0.435SS..  trans76.33-174.700000113.7R253 H255 K259R253-G257 WeakPolarHBondContact O-CA 3.47Å; R253-G257 PolarHBondContact O-N 2.82Å; H255-G257 VanDerWaalsContact C-N 3.26Å; H255-G257 PolarHBondContact O-N 3.36Å; G257-K259 PolarHBondContact O-N 2.82Å
258E82.6Confident83.5Confident116 Ų11690.7 Ų90.754%0.54245%0.448SS..  trans-63.2121.8-179.4-75.6-179.1-175.500111.9R253 T256R253-E258 HydrophobicContact CB-CB 4.49Å; R253-E258 HydrophobicContact CG-CB 4.37Å; R253-E258 PolarHBondContact O-N 2.91Å; T256-E258 PolarHBondContact O-N 3.37Å; T256-E258 WeakPolarHBondContact OG1-CB 3.47Å; T256-E258 WeakPolarHBondContact OG1-CG 3.45Å; T256-E258 PolarHBondContact OG1-N 3.01Å
259K86.1Confident83.9Confident110 Ų11091.5 Ų91.548%0.47846%0.456SS..  trans-128.182.5179.9-71.6166.3170.3-167.50109.6G257 Y261 A269 F270 T271G257-K259 PolarHBondContact O-N 2.82Å; K259-Y261 PolarHBondContact O-N 3.17Å; K259-A269 HydrophobicContact CB-CB 3.5Å; K259-A269 HydrophobicContact CD-CB 4.03Å; K259-A269 VanDerWaalsContact CD-O 3.32Å; K259-A269 WeakPolarHBondContact CD-O 3.39Å; K259-A269 HydrophobicContact CG-CB 4.36Å; K259-F270 CarbonylContact C-O 3.53Å; K259-F270 VanDerWaalsContact C-O 3.32Å; K259-F270 WeakPolarHBondContact CA-O 3.46Å; K259-T271 HydrophobicContact CG-CG2 4.02Å
260P84.6Confident84.1Confident73 Ų7385.8 Ų85.847%0.47444%0.435SS..  trans-62.9-28-172.5-24.334.9000113.9
261Y85.8Confident84.2Confident77 Ų7782.4 Ų82.430%0.30243%0.426SS..EExtended strand (participates in β ladder)trans-98.798.9-173.7-52.9-82.1000109.7K259 A269 F270 C272 L273 F276K259-Y261 PolarHBondContact O-N 3.17Å; Y261-A269 CarbonylContact O-C 3.49Å; Y261-A269 VanDerWaalsContact O-CA 3.28Å; Y261-A269 WeakPolarHBondContact O-CA 3.45Å; Y261-F270 PolarHBondContact N-O 3.4Å; Y261-F270 PolarHBondContact O-N 3.34Å; Y261-C272 VanDerWaalsContact CD2-C 3.42Å; Y261-L273 HydrophobicContact CD1-CB 4.17Å; Y261-L273 HydrophobicContact CD1-CD1 3.81Å; Y261-L273 HydrophobicContact CE1-CB 3.74Å; Y261-L273 HydrophobicContact CE1-CD1 3.85Å; Y261-L273 HydrophobicContact CE1-CG 4.29Å; Y261-L273 HydrophobicContact CE2-CB 4.31Å; Y261-F276 HydrophobicContact CG-CB 4.43Å
262R84.2Confident84.2Confident191 Ų19181.9 Ų81.972%0.72143%0.425SS*.EExtended strand (participates in β ladder)trans-95138.7179-63.3-168.2172.7-176.9-0.8110.6A269 F276R262-A269 HydrophobicContact CB-CB 4.49Å; R262-A269 HydrophobicContact CG-CB 3.83Å; R262-F276 WeakPolarHBondContact O-CE2 3.49Å
263C86.5Confident84.1Confident12 Ų1281.6 Ų81.68%0.08143%0.426CS..  trans-78.1135169.6-173.50000110.3T265 C266 K268 F276 H279 H283C263-T265 PolarHBondContact SG-OG1 3.37Å; C263-C266 CarbonylContact C-O 3.2Å; C263-C266 WeakPolarHBondContact CB-O 3.43Å; C263-K268 VanDerWaalsContact CB-O 3.3Å; C263-K268 WeakPolarHBondContact CB-O 3.41Å; C263-K268 PolarHBondContact N-O 3.45Å; C263-F276 HydrophobicContact CB-CE2 3.91Å; C263-H279 PolarHBondContact SG-NE2 3.29Å; C263-H283 PolarHBondContact SG-NE2 2.73Å
264N85Confident83.8Confident161 Ų16181.8 Ų81.886%0.86144%0.435SS*.SBendtrans-84.6-18.8178.7-65.8-22000112.3
265T79.4Confident83.9Confident100 Ų10081.2 Ų81.261%0.61343%0.428SS*.SBendtrans-100.1-11.7-178.243.80000113.6C263 H283C263-T265 PolarHBondContact SG-OG1 3.37Å; T265-H283 PolarHBondContact OG1-CD2 3.38Å; T265-H283 PolarHBondContact OG1-CE1 3.12Å; T265-H283 PolarHBondContact OG1-ND1 3.37Å; T265-H283 PolarHBondContact OG1-NE2 3.17Å
266C86.5Confident83.9Confident34 Ų3478.7 Ų78.723%0.2342%0.417CS..SBendtrans-151.4165.6169.673.80000112C263 K268 H279 H283C263-C266 CarbonylContact C-O 3.2Å; C263-C266 WeakPolarHBondContact CB-O 3.43Å; C266-K268 PolarHBondContact O-N 3.5Å; C266-H279 PolarHBondContact SG-CE1 3.3Å; C266-H279 PolarHBondContact SG-NE2 3.09Å; C266-H283 PolarHBondContact SG-NE2 3.4Å; C266-H283 VanDerWaalsContact SG-NE2 3.35Å
267D84.9Confident83.8Confident178 Ų17879.1 Ų79.195%0.95241%0.413SS*.SBendtrans-72.518.2-175.2-53-47.7000114.9
268K87.5Confident83.7Confident122 Ų12280.5 Ų80.553%0.5341%0.407SS..  trans-89.3137.2-178.4-66.5-176.3-176.9179.60111.2C263 C266 F270C263-K268 VanDerWaalsContact CB-O 3.3Å; C263-K268 WeakPolarHBondContact CB-O 3.41Å; C263-K268 PolarHBondContact N-O 3.45Å; C266-K268 PolarHBondContact O-N 3.5Å; K268-F270 HydrophobicContact CB-CE2 3.79Å; K268-F270 HydrophobicContact CB-CZ 3.9Å; K268-F270 HydrophobicContact CD-CZ 4.37Å
269A86.6Confident83.7Confident25 Ų2575.7 Ų75.721%0.20738%0.384CS..EExtended strand (participates in β ladder)trans-129.2147.4173.900000110.7K259 Y261 R262K259-A269 HydrophobicContact CB-CB 3.5Å; K259-A269 HydrophobicContact CD-CB 4.03Å; K259-A269 VanDerWaalsContact CD-O 3.32Å; K259-A269 WeakPolarHBondContact CD-O 3.39Å; K259-A269 HydrophobicContact CG-CB 4.36Å; Y261-A269 CarbonylContact O-C 3.49Å; Y261-A269 VanDerWaalsContact O-CA 3.28Å; Y261-A269 WeakPolarHBondContact O-CA 3.45Å; R262-A269 HydrophobicContact CB-CB 4.49Å; R262-A269 HydrophobicContact CG-CB 3.83Å
270F85.4Confident83.6Confident39 Ų3974.2 Ų74.217%0.17138%0.379CS..EExtended strand (participates in β ladder)trans-125.6149-170.5-57.7-94.6000111.2K259 Y261 K268 N275 F276 H279K259-F270 CarbonylContact C-O 3.53Å; K259-F270 VanDerWaalsContact C-O 3.32Å; K259-F270 WeakPolarHBondContact CA-O 3.46Å; Y261-F270 PolarHBondContact N-O 3.4Å; Y261-F270 PolarHBondContact O-N 3.34Å; K268-F270 HydrophobicContact CB-CE2 3.79Å; K268-F270 HydrophobicContact CB-CZ 3.9Å; K268-F270 HydrophobicContact CD-CZ 4.37Å; F270-N275 HydrophobicContact CD1-CB 4.03Å; F270-F276 HydrophobicContact CB-CB 4.06Å; F270-F276 HydrophobicContact CD2-CB 3.97Å; F270-F276 AromaticContact CD2-CD2 3.7Å; F270-F276 HydrophobicContact CD2-CD2 3.7Å; F270-F276 HydrophobicContact CD2-CG 4.33Å; F270-F276 HydrophobicContact CE2-CD2 4.07Å; F270-F276 HydrophobicContact CG-CB 4.1Å; F270-H279 HydrophobicContact CE1-CB 3.77Å; F270-H279 HydrophobicContact CE2-CB 3.86Å; F270-H279 AromaticContact CE2-CD2 3.14Å; F270-H279 WeakPolarHBondContact CE2-CD2 3.46Å; F270-H279 AromaticContact CE2-CG 3.55Å; F270-H279 AromaticContact CE2-NE2 3.84Å; F270-H279 HydrophobicContact CZ-CB 3.32Å; F270-H279 AromaticContact CZ-CD2 3.27Å; F270-H279 WeakPolarHBondContact CZ-CD2 3.43Å; F270-H279 AromaticContact CZ-CG 3.14Å; F270-H279 AromaticContact CZ-ND1 3.84Å; F270-H279 AromaticContact CZ-NE2 3.93Å
271T83.7Confident83.6Confident32 Ų3273.6 Ų73.620%0.19637%0.367CS..SBendtrans-80.6-16.6178.554.70000112.7R253 K259R253-T271 HydrophobicContact CB-CG2 4.02Å; R253-T271 PolarHBondContact NH1-O 3.21Å; K259-T271 HydrophobicContact CG-CG2 4.02Å
272C80.6Confident83.4Confident10 Ų1073.9 Ų73.97%0.06838%0.377CS..SBendtrans-143.2151.2177.667.30000113.1R250 Y261 T274 N275 F276R250-C272 HydrophobicContact CG-CB 4.32Å; Y261-C272 VanDerWaalsContact CD2-C 3.42Å; C272-T274 PolarHBondContact O-N 3.43Å; C272-T274 PolarHBondContact SG-OG1 3.13Å; C272-N275 PolarHBondContact O-N 2.8Å; C272-N275 PolarHBondContact SG-ND2 2.8Å; C272-N275 VanDerWaalsContact SG-ND2 3.35Å; C272-N275 PolarHBondContact SG-OD1 3.46Å; C272-F276 PolarHBondContact O-N 3.24Å
273L82.7Confident83.3Confident75 Ų7568.7 Ų68.739%0.39336%0.361SS..Hα-helixtrans-62-42.4-175.9-17960.5000112.7Y261 N275 F276 Q277Y261-L273 HydrophobicContact CD1-CB 4.17Å; Y261-L273 HydrophobicContact CD1-CD1 3.81Å; Y261-L273 HydrophobicContact CE1-CB 3.74Å; Y261-L273 HydrophobicContact CE1-CD1 3.85Å; Y261-L273 HydrophobicContact CE1-CG 4.29Å; Y261-L273 HydrophobicContact CE2-CB 4.31Å; L273-N275 VanDerWaalsContact C-N 3.31Å; L273-N275 PolarHBondContact O-N 3.37Å; L273-F276 HydrophobicContact CD1-CD1 4.14Å; L273-F276 WeakPolarHBondContact O-CA 3.26Å; L273-F276 WeakPolarHBondContact O-CB 3.41Å; L273-F276 PolarHBondContact O-N 2.91Å; L273-F276 VanDerWaalsContact O-N 3.09Å; L273-Q277 HydrophobicContact CD1-CG 4.19Å; L273-Q277 HydrophobicContact CG-CG 4.3Å; L273-Q277 WeakPolarHBondContact O-CG 3.27Å; L273-Q277 PolarHBondContact O-N 3.32Å
274T79.1Confident83.1Confident73 Ų7372.2 Ų72.245%0.44838%0.382SS..Hα-helixtrans-58.4-43.2-179.5550000112.2C272 F276 Q277 E278C272-T274 PolarHBondContact O-N 3.43Å; C272-T274 PolarHBondContact SG-OG1 3.13Å; T274-F276 VanDerWaalsContact C-N 3.32Å; T274-F276 PolarHBondContact O-N 3.19Å; T274-Q277 PolarHBondContact O-N 3.36Å; T274-E278 WeakPolarHBondContact O-CB 3.29Å; T274-E278 WeakPolarHBondContact O-CG 3.29Å; T274-E278 PolarHBondContact O-N 3.09Å
275N81.2Confident82.9Confident71 Ų7166.7 Ų66.738%0.3836%0.363SS..Hα-helixtrans-71.4-31.7179.1-66.57.3000111.4F270 C272 L273 H279F270-N275 HydrophobicContact CD1-CB 4.03Å; C272-N275 PolarHBondContact O-N 2.8Å; C272-N275 PolarHBondContact SG-ND2 2.8Å; C272-N275 VanDerWaalsContact SG-ND2 3.35Å; C272-N275 PolarHBondContact SG-OD1 3.46Å; L273-N275 VanDerWaalsContact C-N 3.31Å; L273-N275 PolarHBondContact O-N 3.37Å; N275-H279 VanDerWaalsContact O-CB 3.31Å; N275-H279 WeakPolarHBondContact O-CB 3.33Å; N275-H279 PolarHBondContact O-N 3.02Å
276F82.8Confident83Confident22 Ų2267.3 Ų67.310%0.09636%0.359CS..Hα-helixtrans-66.2-49.5172.8172.2-112000111.3Y261 R262 C263 F270 C272 L273 T274 E278 H279 E280Y261-F276 HydrophobicContact CG-CB 4.43Å; R262-F276 WeakPolarHBondContact O-CE2 3.49Å; C263-F276 HydrophobicContact CB-CE2 3.91Å; F270-F276 HydrophobicContact CB-CB 4.06Å; F270-F276 HydrophobicContact CD2-CB 3.97Å; F270-F276 AromaticContact CD2-CD2 3.7Å; F270-F276 HydrophobicContact CD2-CD2 3.7Å; F270-F276 HydrophobicContact CD2-CG 4.33Å; F270-F276 HydrophobicContact CE2-CD2 4.07Å; F270-F276 HydrophobicContact CG-CB 4.1Å; C272-F276 PolarHBondContact O-N 3.24Å; L273-F276 HydrophobicContact CD1-CD1 4.14Å; L273-F276 WeakPolarHBondContact O-CA 3.26Å; L273-F276 WeakPolarHBondContact O-CB 3.41Å; L273-F276 PolarHBondContact O-N 2.91Å; L273-F276 VanDerWaalsContact O-N 3.09Å; T274-F276 VanDerWaalsContact C-N 3.32Å; T274-F276 PolarHBondContact O-N 3.19Å; F276-E278 VanDerWaalsContact C-N 3.33Å; F276-E278 PolarHBondContact O-N 2.94Å; F276-H279 CarbonylContact O-C 3.55Å; F276-H279 WeakPolarHBondContact O-CA 3.33Å; F276-H279 WeakPolarHBondContact O-CB 3.39Å; F276-H279 PolarHBondContact O-N 2.79Å; F276-E280 HydrophobicContact CD2-CG 4.41Å; F276-E280 VanDerWaalsContact CE1-CD 3.47Å; F276-E280 HydrophobicContact CE1-CG 4.01Å; F276-E280 HydrophobicContact CE2-CG 3.82Å; F276-E280 HydrophobicContact CZ-CG 3.62Å; F276-E280 WeakPolarHBondContact CZ-OE1 3.19Å; F276-E280 PolarHBondContact O-N 3.4Å
277Q82.9Confident82.9Confident94 Ų9471.5 Ų71.544%0.43937%0.373SS..Hα-helixtrans-59-43.5176-71.7173.1-30.600111.9L273 T274 H279 E280 R281L273-Q277 HydrophobicContact CD1-CG 4.19Å; L273-Q277 HydrophobicContact CG-CG 4.3Å; L273-Q277 WeakPolarHBondContact O-CG 3.27Å; L273-Q277 PolarHBondContact O-N 3.32Å; T274-Q277 PolarHBondContact O-N 3.36Å; Q277-H279 VanDerWaalsContact C-N 3.26Å; Q277-H279 PolarHBondContact O-N 2.89Å; Q277-E280 PolarHBondContact O-N 3.43Å; Q277-R281 PolarHBondContact O-N 2.79Å
278E80.1Confident82.8Confident76 Ų7666.4 Ų66.436%0.35535%0.35SS..Hα-helixtrans-60.5-36.5173.1-83.5-174.6171.900112.8T274 F276 R281 F300T274-E278 WeakPolarHBondContact O-CB 3.29Å; T274-E278 WeakPolarHBondContact O-CG 3.29Å; T274-E278 PolarHBondContact O-N 3.09Å; F276-E278 VanDerWaalsContact C-N 3.33Å; F276-E278 PolarHBondContact O-N 2.94Å; E278-R281 WeakPolarHBondContact O-CB 3.35Å; E278-F300 HydrophobicContact CB-CE1 3.73Å; E278-F300 HydrophobicContact CB-CZ 4.27Å; E278-F300 HydrophobicContact CG-CD1 4.4Å; E278-F300 HydrophobicContact CG-CE1 3.81Å
279H82.8Confident82.6Confident14 Ų1464.3 Ų64.37%0.06534%0.339CS..Hα-helixtrans-71.8-37.1174.5164.361.3000112.6C263 C266 F270 N275 F276 Q277 R281 T282 H283C263-H279 PolarHBondContact SG-NE2 3.29Å; C266-H279 PolarHBondContact SG-CE1 3.3Å; C266-H279 PolarHBondContact SG-NE2 3.09Å; F270-H279 HydrophobicContact CE1-CB 3.77Å; F270-H279 HydrophobicContact CE2-CB 3.86Å; F270-H279 AromaticContact CE2-CD2 3.14Å; F270-H279 WeakPolarHBondContact CE2-CD2 3.46Å; F270-H279 AromaticContact CE2-CG 3.55Å; F270-H279 AromaticContact CE2-NE2 3.84Å; F270-H279 HydrophobicContact CZ-CB 3.32Å; F270-H279 AromaticContact CZ-CD2 3.27Å; F270-H279 WeakPolarHBondContact CZ-CD2 3.43Å; F270-H279 AromaticContact CZ-CG 3.14Å; F270-H279 AromaticContact CZ-ND1 3.84Å; F270-H279 AromaticContact CZ-NE2 3.93Å; N275-H279 VanDerWaalsContact O-CB 3.31Å; N275-H279 WeakPolarHBondContact O-CB 3.33Å; N275-H279 PolarHBondContact O-N 3.02Å; F276-H279 CarbonylContact O-C 3.55Å; F276-H279 WeakPolarHBondContact O-CA 3.33Å; F276-H279 WeakPolarHBondContact O-CB 3.39Å; F276-H279 PolarHBondContact O-N 2.79Å; Q277-H279 VanDerWaalsContact C-N 3.26Å; Q277-H279 PolarHBondContact O-N 2.89Å; H279-R281 PolarHBondContact O-N 3.42Å; H279-T282 PolarHBondContact ND1-OG1 3.22Å; H279-T282 WeakPolarHBondContact O-CA 3.37Å; H279-T282 VanDerWaalsContact O-CB 3.28Å; H279-T282 WeakPolarHBondContact O-CB 3.37Å; H279-T282 WeakPolarHBondContact O-CG2 3.47Å; H279-T282 PolarHBondContact O-N 3.39Å; H279-T282 PolarHBondContact O-OG1 3.37Å; H279-H283 AromaticContact CE1-CD2 3.79Å; H279-H283 AromaticContact CE1-NE2 3.29Å; H279-H283 PolarHBondContact CE1-NE2 3.42Å; H279-H283 VanDerWaalsContact CE1-NE2 3.29Å; H279-H283 AromaticContact NE2-CD2 3.79Å; H279-H283 AromaticContact NE2-NE2 3.37Å; H279-H283 PolarHBondContact NE2-NE2 3.18Å
280E84Confident82.4Confident80 Ų8068.5 Ų68.537%0.37436%0.358SS..Hα-helixtrans-57.1-32.2176.2-74.6-170.212700112.1F276 Q277 T282 H283 T284F276-E280 HydrophobicContact CD2-CG 4.41Å; F276-E280 VanDerWaalsContact CE1-CD 3.47Å; F276-E280 HydrophobicContact CE1-CG 4.01Å; F276-E280 HydrophobicContact CE2-CG 3.82Å; F276-E280 HydrophobicContact CZ-CG 3.62Å; F276-E280 WeakPolarHBondContact CZ-OE1 3.19Å; F276-E280 PolarHBondContact O-N 3.4Å; Q277-E280 PolarHBondContact O-N 3.43Å; E280-T282 PolarHBondContact O-N 3.13Å; E280-H283 WeakPolarHBondContact O-CA 3.49Å; E280-H283 WeakPolarHBondContact O-CB 3.36Å; E280-H283 PolarHBondContact O-N 2.91Å; E280-T284 PolarHBondContact O-N 2.9Å
281R84.2Confident82.5Confident59 Ų5966.7 Ų66.722%0.22335%0.35CS..Hα-helixtrans-56.7-24.4171.8-60178.8-174.1169.73.5113.6Q277 E278 H279 H283 T284 G285 E286 S299Q277-R281 PolarHBondContact O-N 2.79Å; E278-R281 WeakPolarHBondContact O-CB 3.35Å; H279-R281 PolarHBondContact O-N 3.42Å; R281-H283 VanDerWaalsContact C-N 3.3Å; R281-T284 WeakPolarHBondContact CA-OG1 3.48Å; R281-G285 WeakPolarHBondContact O-CA 3.46Å; R281-G285 PolarHBondContact O-N 2.84Å; R281-E286 HydrophobicContact CG-CB 4.49Å; R281-S299 PolarHBondContact NH1-O 3.09Å
282T80.7Confident82.5Confident84 Ų8471.2 Ų71.252%0.51538%0.377SS..Hα-helixtrans-73.3-22.1174.9700000113.2H279 E280H279-T282 PolarHBondContact ND1-OG1 3.22Å; H279-T282 WeakPolarHBondContact O-CA 3.37Å; H279-T282 VanDerWaalsContact O-CB 3.28Å; H279-T282 WeakPolarHBondContact O-CB 3.37Å; H279-T282 WeakPolarHBondContact O-CG2 3.47Å; H279-T282 PolarHBondContact O-N 3.39Å; H279-T282 PolarHBondContact O-OG1 3.37Å; E280-T282 PolarHBondContact O-N 3.13Å
283H81.8Confident82.5Confident82 Ų8277.7 Ų77.738%0.3841%0.407SS..Hα-helixtrans-92.2-44.1174.5-67.6-70.3000112.2C263 T265 C266 H279 E280 R281 G285C263-H283 PolarHBondContact SG-NE2 2.73Å; T265-H283 PolarHBondContact OG1-CD2 3.38Å; T265-H283 PolarHBondContact OG1-CE1 3.12Å; T265-H283 PolarHBondContact OG1-ND1 3.37Å; T265-H283 PolarHBondContact OG1-NE2 3.17Å; C266-H283 PolarHBondContact SG-NE2 3.4Å; C266-H283 VanDerWaalsContact SG-NE2 3.35Å; H279-H283 AromaticContact CE1-CD2 3.79Å; H279-H283 AromaticContact CE1-NE2 3.29Å; H279-H283 PolarHBondContact CE1-NE2 3.42Å; H279-H283 VanDerWaalsContact CE1-NE2 3.29Å; H279-H283 AromaticContact NE2-CD2 3.79Å; H279-H283 AromaticContact NE2-NE2 3.37Å; H279-H283 PolarHBondContact NE2-NE2 3.18Å; E280-H283 WeakPolarHBondContact O-CA 3.49Å; E280-H283 WeakPolarHBondContact O-CB 3.36Å; E280-H283 PolarHBondContact O-N 2.91Å; R281-H283 VanDerWaalsContact C-N 3.3Å; H283-G285 PolarHBondContact O-N 3.05Å
284T83.8Confident82.7Confident85 Ų8576.6 Ų76.652%0.52141%0.405SS..Hα-helixtrans-72.4-22.1178.9630000112.3E280 R281 E286E280-T284 PolarHBondContact O-N 2.9Å; R281-T284 WeakPolarHBondContact CA-OG1 3.48Å; T284-E286 PolarHBondContact O-N 2.86Å; T284-E286 WeakPolarHBondContact OG1-CB 3.45Å; T284-E286 WeakPolarHBondContact OG1-CG 3.39Å; T284-E286 PolarHBondContact OG1-N 2.86Å
285G80.9Confident82.9Confident45 Ų4575.7 Ų75.746%0.46441%0.41SS..  trans74.17-174.400000113.3R281 H283 K287R281-G285 WeakPolarHBondContact O-CA 3.46Å; R281-G285 PolarHBondContact O-N 2.84Å; H283-G285 PolarHBondContact O-N 3.05Å; G285-K287 PolarHBondContact O-N 2.76Å
286E81.2Confident83.1Confident114 Ų11478.2 Ų78.253%0.53342%0.417SS..  trans-59.5129.7179-77.4177.7-168.900111.5R281 T284R281-E286 HydrophobicContact CG-CB 4.49Å; T284-E286 PolarHBondContact O-N 2.86Å; T284-E286 WeakPolarHBondContact OG1-CB 3.45Å; T284-E286 WeakPolarHBondContact OG1-CG 3.39Å; T284-E286 PolarHBondContact OG1-N 2.86Å
287K83.3Confident83.1Confident121 Ų12178.5 Ų78.553%0.52642%0.424SS..  trans-130.275.5-178.8-72.7167.9174.5-170.20109.6G285 Y289 A297 F298G285-K287 PolarHBondContact O-N 2.76Å; K287-Y289 PolarHBondContact O-N 3.49Å; K287-Y289 VanDerWaalsContact O-N 3.13Å; K287-A297 HydrophobicContact CB-CB 3.43Å; K287-A297 VanDerWaalsContact CB-CB 3.43Å; K287-A297 HydrophobicContact CD-CB 4.05Å; K287-A297 WeakPolarHBondContact CD-O 3.43Å; K287-A297 HydrophobicContact CG-CB 4.36Å; K287-F298 CarbonylContact C-O 3.47Å; K287-F298 VanDerWaalsContact CA-O 3.29Å; K287-F298 WeakPolarHBondContact CA-O 3.37Å
288P82.7Confident83.1Confident72 Ų7276 Ų7647%0.46841%0.412SS..  trans-63.4-22.3-171.5-23.134.8000114.1
289Y83.7Confident83.2Confident77 Ų7773.7 Ų73.730%0.30240%0.404SS..EExtended strand (participates in β ladder)trans-98103.7-172.6-53.4-78.9000110.8K287 A297 F298 S299 F300 L301 I304K287-Y289 PolarHBondContact O-N 3.49Å; K287-Y289 VanDerWaalsContact O-N 3.13Å; Y289-A297 CarbonylContact O-C 3.5Å; Y289-A297 WeakPolarHBondContact O-CA 3.4Å; Y289-F298 WeakPolarHBondContact CD2-O 3.45Å; Y289-F298 PolarHBondContact N-O 3.32Å; Y289-F298 PolarHBondContact O-N 3.4Å; Y289-S299 WeakPolarHBondContact CE2-O 3.35Å; Y289-F300 VanDerWaalsContact CD2-C 3.42Å; Y289-L301 HydrophobicContact CD1-CB 4.21Å; Y289-L301 HydrophobicContact CD1-CD1 3.88Å; Y289-L301 HydrophobicContact CE1-CB 3.89Å; Y289-L301 HydrophobicContact CE1-CD1 4.06Å; Y289-L301 HydrophobicContact CE1-CG 4.47Å; Y289-L301 HydrophobicContact CE2-CB 4.43Å; Y289-I304 HydrophobicContact CG-CG2 4.39Å
290L83.4Confident83.1Confident114 Ų11475.4 Ų75.460%0.59741%0.411SS*.EExtended strand (participates in β ladder)trans-91.7129.4179.6-70.9162.2000111.3T292 A297 I304L290-T292 PolarHBondContact O-N 3.31Å; L290-A297 HydrophobicContact CD2-CB 3.55Å; L290-A297 HydrophobicContact CG-CB 4.46Å; L290-I304 WeakPolarHBondContact O-CD1 3.22Å
291C86.7Confident82.9Confident1 Ų175.2 Ų75.21%0.00741%0.413CS..  trans-73.4119168.5-179.80000109.5Q293 G295 K296 F298 I304C291-Q293 PolarHBondContact O-N 3.09Å; C291-G295 WeakPolarHBondContact O-CA 3.23Å; C291-G295 PolarHBondContact O-N 2.84Å; C291-K296 WeakPolarHBondContact CB-O 3.31Å; C291-K296 PolarHBondContact N-O 3.05Å; C291-F298 HydrophobicContact CB-CE2 4.27Å; C291-I304 HydrophobicContact CB-CD1 4.34Å; C291-I304 HydrophobicContact CB-CG1 4.49Å
292T84Confident82.7Confident126 Ų12676.2 Ų76.277%0.77343%0.429SS*.THydrogen-bonded Turntrans-64.1-28.7-179.852.70000113.1L290L290-T292 PolarHBondContact O-N 3.31Å
293Q79.9Confident82.9Confident146 Ų14674.1 Ų74.168%0.68241%0.414SS*.THydrogen-bonded Turntrans-84.2-29-175.1-64.4-64.9-25.800114.5C291C291-Q293 PolarHBondContact O-N 3.09Å
294C86.4Confident83Confident52 Ų5270.7 Ų70.735%0.35140%0.399SS..THydrogen-bonded Turntrans-133.14.3-179.669.10000115.1K296 H307 H311C294-K296 PolarHBondContact O-N 3.41Å; C294-K296 VanDerWaalsContact O-N 3.11Å; C294-K296 VanDerWaalsContact SG-CG 3.52Å; C294-H307 PolarHBondContact SG-NE2 3.14Å; C294-H311 PolarHBondContact SG-NE2 3.28Å; C294-H311 VanDerWaalsContact SG-NE2 3.35Å
295G84Confident83Confident54 Ų5474.2 Ų74.256%0.55740%0.402SS*.  trans68.83.4-17900000114.8C291 A297C291-G295 WeakPolarHBondContact O-CA 3.23Å; C291-G295 PolarHBondContact O-N 2.84Å; G295-A297 PolarHBondContact O-N 2.79Å
296K84.8Confident83Confident124 Ų12477 Ų7754%0.53940%0.399SS..  trans-70127.1179.5-72.5178.6-173.9169.80110.7C291 C294 F298C291-K296 WeakPolarHBondContact CB-O 3.31Å; C291-K296 PolarHBondContact N-O 3.05Å; C294-K296 PolarHBondContact O-N 3.41Å; C294-K296 VanDerWaalsContact O-N 3.11Å; C294-K296 VanDerWaalsContact SG-CG 3.52Å; K296-F298 HydrophobicContact CB-CE2 3.78Å; K296-F298 HydrophobicContact CB-CZ 4.03Å; K296-F298 WeakPolarHBondContact O-CD2 3.28Å; K296-F298 VanDerWaalsContact O-CE2 3.27Å; K296-F298 WeakPolarHBondContact O-CE2 3.4Å
297A84.6Confident83.2Confident29 Ų2972.6 Ų72.624%0.2438%0.378CS..EExtended strand (participates in β ladder)trans-92142.8177.900000112.1K287 Y289 L290 G295K287-A297 HydrophobicContact CB-CB 3.43Å; K287-A297 VanDerWaalsContact CB-CB 3.43Å; K287-A297 HydrophobicContact CD-CB 4.05Å; K287-A297 WeakPolarHBondContact CD-O 3.43Å; K287-A297 HydrophobicContact CG-CB 4.36Å; Y289-A297 CarbonylContact O-C 3.5Å; Y289-A297 WeakPolarHBondContact O-CA 3.4Å; L290-A297 HydrophobicContact CD2-CB 3.55Å; L290-A297 HydrophobicContact CG-CB 4.46Å; G295-A297 PolarHBondContact O-N 2.79Å
298F81.7Confident83.4Confident42 Ų4270.3 Ų70.318%0.18437%0.369CS..EExtended strand (participates in β ladder)trans-129.2148.5178.5-60.5-91000111.1K287 Y289 C291 K296 N303 I304 H307K287-F298 CarbonylContact C-O 3.47Å; K287-F298 VanDerWaalsContact CA-O 3.29Å; K287-F298 WeakPolarHBondContact CA-O 3.37Å; Y289-F298 WeakPolarHBondContact CD2-O 3.45Å; Y289-F298 PolarHBondContact N-O 3.32Å; Y289-F298 PolarHBondContact O-N 3.4Å; C291-F298 HydrophobicContact CB-CE2 4.27Å; K296-F298 HydrophobicContact CB-CE2 3.78Å; K296-F298 HydrophobicContact CB-CZ 4.03Å; K296-F298 WeakPolarHBondContact O-CD2 3.28Å; K296-F298 VanDerWaalsContact O-CE2 3.27Å; K296-F298 WeakPolarHBondContact O-CE2 3.4Å; F298-N303 HydrophobicContact CB-CB 4.3Å; F298-N303 HydrophobicContact CD1-CB 4.04Å; F298-N303 HydrophobicContact CG-CB 4.46Å; F298-I304 HydrophobicContact CB-CB 4.19Å; F298-I304 HydrophobicContact CD2-CB 3.8Å; F298-I304 HydrophobicContact CD2-CG1 4.06Å; F298-I304 HydrophobicContact CG-CB 4.12Å; F298-H307 HydrophobicContact CE1-CB 3.89Å; F298-H307 HydrophobicContact CE2-CB 3.95Å; F298-H307 AromaticContact CE2-CD2 3.19Å; F298-H307 WeakPolarHBondContact CE2-CD2 3.43Å; F298-H307 AromaticContact CE2-CG 3.61Å; F298-H307 AromaticContact CE2-NE2 3.86Å; F298-H307 HydrophobicContact CZ-CB 3.46Å; F298-H307 VanDerWaalsContact CZ-CB 3.46Å; F298-H307 AromaticContact CZ-CD2 3.27Å; F298-H307 WeakPolarHBondContact CZ-CD2 3.37Å; F298-H307 AromaticContact CZ-CG 3.18Å; F298-H307 AromaticContact CZ-ND1 3.79Å; F298-H307 AromaticContact CZ-NE2 3.85Å
299S82.9Confident83.5Confident26 Ų2670.2 Ų70.218%0.18236%0.36CS..SBendtrans-80.7-16.1178.947.40000114.1R281 Y289R281-S299 PolarHBondContact NH1-O 3.09Å; Y289-S299 WeakPolarHBondContact CE2-O 3.35Å
300F79.3Confident83.6Confident50 Ų5070.6 Ų70.622%0.21937%0.37CS..SBendtrans-135.3140.7-176.5-59.8-86.1000111.8E278 Y289 S302 N303 I304E278-F300 HydrophobicContact CB-CE1 3.73Å; E278-F300 HydrophobicContact CB-CZ 4.27Å; E278-F300 HydrophobicContact CG-CD1 4.4Å; E278-F300 HydrophobicContact CG-CE1 3.81Å; Y289-F300 VanDerWaalsContact CD2-C 3.42Å; F300-S302 VanDerWaalsContact C-N 3.3Å; F300-S302 PolarHBondContact O-N 3.5Å; F300-N303 HydrophobicContact CB-CB 4.3Å; F300-N303 WeakPolarHBondContact CD2-ND2 3.22Å; F300-N303 WeakPolarHBondContact O-CB 3.34Å; F300-N303 PolarHBondContact O-N 3.16Å; F300-N303 VanDerWaalsContact O-N 3.08Å; F300-I304 PolarHBondContact O-N 2.98Å
301L80.4Confident83.6Confident77 Ų7769.3 Ų69.340%0.40336%0.361SS..Hα-helixtrans-61.1-37177.6-174.562.1000112.7Y289 N303 I304 R305Y289-L301 HydrophobicContact CD1-CB 4.21Å; Y289-L301 HydrophobicContact CD1-CD1 3.88Å; Y289-L301 HydrophobicContact CE1-CB 3.89Å; Y289-L301 HydrophobicContact CE1-CD1 4.06Å; Y289-L301 HydrophobicContact CE1-CG 4.47Å; Y289-L301 HydrophobicContact CE2-CB 4.43Å; L301-N303 VanDerWaalsContact C-N 3.26Å; L301-N303 PolarHBondContact O-N 3.31Å; L301-I304 HydrophobicContact CD1-CG2 3.88Å; L301-I304 WeakPolarHBondContact O-CG2 3.35Å; L301-I304 PolarHBondContact O-N 3.3Å; L301-R305 WeakPolarHBondContact O-CG 3.47Å; L301-R305 PolarHBondContact O-N 2.94Å; L301-R305 VanDerWaalsContact O-N 3.1Å
302S81Confident83.5Confident80 Ų8073.3 Ų73.356%0.55939%0.386SS*.Hα-helixtrans-64.2-32176.556.80000112.5F300 R306F300-S302 VanDerWaalsContact C-N 3.3Å; F300-S302 PolarHBondContact O-N 3.5Å; S302-R306 WeakPolarHBondContact O-CB 3.35Å; S302-R306 PolarHBondContact O-N 3.42Å; S302-R306 VanDerWaalsContact O-N 3.16Å
303N84.3Confident83.5Confident40 Ų4069.5 Ų69.521%0.21437%0.371CS..Hα-helixtrans-74.8-39.6179.6-73.8-25.7000112.3F298 F300 L301 R306 H307F298-N303 HydrophobicContact CB-CB 4.3Å; F298-N303 HydrophobicContact CD1-CB 4.04Å; F298-N303 HydrophobicContact CG-CB 4.46Å; F300-N303 HydrophobicContact CB-CB 4.3Å; F300-N303 WeakPolarHBondContact CD2-ND2 3.22Å; F300-N303 WeakPolarHBondContact O-CB 3.34Å; F300-N303 PolarHBondContact O-N 3.16Å; F300-N303 VanDerWaalsContact O-N 3.08Å; L301-N303 VanDerWaalsContact C-N 3.26Å; L301-N303 PolarHBondContact O-N 3.31Å; N303-R306 PolarHBondContact O-N 3.38Å; N303-R306 PolarHBondContact OD1-NH2 3.16Å; N303-H307 WeakPolarHBondContact O-CB 3.43Å; N303-H307 PolarHBondContact O-N 2.85Å
304I84.6Confident83.7Confident10 Ų1068 Ų685%0.05136%0.364CS..Hα-helixtrans-66.5-48174.6-177.4171.5000111.1Y289 L290 C291 F298 F300 L301 R306 H307 E308Y289-I304 HydrophobicContact CG-CG2 4.39Å; L290-I304 WeakPolarHBondContact O-CD1 3.22Å; C291-I304 HydrophobicContact CB-CD1 4.34Å; C291-I304 HydrophobicContact CB-CG1 4.49Å; F298-I304 HydrophobicContact CB-CB 4.19Å; F298-I304 HydrophobicContact CD2-CB 3.8Å; F298-I304 HydrophobicContact CD2-CG1 4.06Å; F298-I304 HydrophobicContact CG-CB 4.12Å; F300-I304 PolarHBondContact O-N 2.98Å; L301-I304 HydrophobicContact CD1-CG2 3.88Å; L301-I304 WeakPolarHBondContact O-CG2 3.35Å; L301-I304 PolarHBondContact O-N 3.3Å; I304-R306 PolarHBondContact O-N 2.97Å; I304-R306 VanDerWaalsContact O-N 3.16Å; I304-H307 CarbonylContact O-C 3.52Å; I304-H307 WeakPolarHBondContact O-CA 3.41Å; I304-H307 WeakPolarHBondContact O-CB 3.42Å; I304-H307 PolarHBondContact O-N 3.46Å; I304-E308 HydrophobicContact CG1-CG 4.32Å; I304-E308 WeakPolarHBondContact O-CG 3.44Å; I304-E308 PolarHBondContact O-N 2.79Å
305R83Confident83.8Confident159 Ų15970.6 Ų70.660%0.637%0.37SS*.Hα-helixtrans-56.2-38.8176.7-71.6-172.8-168-149.82.8112L301L301-R305 WeakPolarHBondContact O-CG 3.47Å; L301-R305 PolarHBondContact O-N 2.94Å; L301-R305 VanDerWaalsContact O-N 3.1Å
306R81.9Confident83.9Confident104 Ų10471.6 Ų71.639%0.39237%0.366SS..Hα-helixtrans-70.9-32.3176.1-171.3177.774.4176.6-7.3112.7S302 N303 I304 R309 Y328S302-R306 WeakPolarHBondContact O-CB 3.35Å; S302-R306 PolarHBondContact O-N 3.42Å; S302-R306 VanDerWaalsContact O-N 3.16Å; N303-R306 PolarHBondContact O-N 3.38Å; N303-R306 PolarHBondContact OD1-NH2 3.16Å; I304-R306 PolarHBondContact O-N 2.97Å; I304-R306 VanDerWaalsContact O-N 3.16Å; R306-R309 WeakPolarHBondContact O-CB 3.48Å; R306-Y328 HydrophobicContact CG-CD1 4.13Å; R306-Y328 HydrophobicContact CG-CE1 3.4Å; R306-Y328 VanDerWaalsContact CG-CE1 3.4Å
307H85Confident84.1Confident20 Ų2069.3 Ų69.39%0.09336%0.355CS..Hα-helixtrans-73.1-36173.716561.8000112.5C294 F298 N303 I304 R309 T310 H311C294-H307 PolarHBondContact SG-NE2 3.14Å; F298-H307 HydrophobicContact CE1-CB 3.89Å; F298-H307 HydrophobicContact CE2-CB 3.95Å; F298-H307 AromaticContact CE2-CD2 3.19Å; F298-H307 WeakPolarHBondContact CE2-CD2 3.43Å; F298-H307 AromaticContact CE2-CG 3.61Å; F298-H307 AromaticContact CE2-NE2 3.86Å; F298-H307 HydrophobicContact CZ-CB 3.46Å; F298-H307 VanDerWaalsContact CZ-CB 3.46Å; F298-H307 AromaticContact CZ-CD2 3.27Å; F298-H307 WeakPolarHBondContact CZ-CD2 3.37Å; F298-H307 AromaticContact CZ-CG 3.18Å; F298-H307 AromaticContact CZ-ND1 3.79Å; F298-H307 AromaticContact CZ-NE2 3.85Å; N303-H307 WeakPolarHBondContact O-CB 3.43Å; N303-H307 PolarHBondContact O-N 2.85Å; I304-H307 CarbonylContact O-C 3.52Å; I304-H307 WeakPolarHBondContact O-CA 3.41Å; I304-H307 WeakPolarHBondContact O-CB 3.42Å; I304-H307 PolarHBondContact O-N 3.46Å; H307-R309 PolarHBondContact O-N 3Å; H307-R309 VanDerWaalsContact O-N 3.13Å; H307-T310 PolarHBondContact CE1-OG1 2.9Å; H307-T310 PolarHBondContact ND1-OG1 2.93Å; H307-T310 VanDerWaalsContact O-CB 3.29Å; H307-T310 WeakPolarHBondContact O-CB 3.18Å; H307-T310 WeakPolarHBondContact O-CG2 3.39Å; H307-T310 PolarHBondContact O-N 3.12Å; H307-T310 PolarHBondContact O-OG1 2.6Å; H307-H311 AromaticContact CE1-NE2 3.64Å; H307-H311 AromaticContact NE2-NE2 3.42Å; H307-H311 PolarHBondContact NE2-NE2 3.41Å
308E86.2Confident84.2Confident74 Ų7476.7 Ų76.735%0.34638%0.376SS..Hα-helixtrans-57.3-28.8176.9-74.1170.4162.600112.2I304 T310 H311 T312I304-E308 HydrophobicContact CG1-CG 4.32Å; I304-E308 WeakPolarHBondContact O-CG 3.44Å; I304-E308 PolarHBondContact O-N 2.79Å; E308-T310 PolarHBondContact O-N 3.25Å; E308-H311 WeakPolarHBondContact O-CA 3.4Å; E308-H311 WeakPolarHBondContact O-CB 3.38Å; E308-H311 PolarHBondContact O-N 3.13Å; E308-T312 PolarHBondContact O-N 3.39Å
309R86.2Confident84.5Confident70 Ų7074.8 Ų74.826%0.26437%0.368SS..Hα-helixtrans-56.5-21.9170-60.1-179.2-175.91701114.3R306 H307 H311 T312 G313 E314 S327R306-R309 WeakPolarHBondContact O-CB 3.48Å; H307-R309 PolarHBondContact O-N 3Å; H307-R309 VanDerWaalsContact O-N 3.13Å; R309-H311 VanDerWaalsContact C-N 3.35Å; R309-T312 WeakPolarHBondContact CA-OG1 3.49Å; R309-G313 WeakPolarHBondContact O-CA 3.4Å; R309-G313 PolarHBondContact O-N 2.8Å; R309-E314 HydrophobicContact CG-CB 4.46Å; R309-E314 PolarHBondContact O-N 3.38Å; R309-S327 PolarHBondContact NH1-O 3.16Å
310T84.2Confident84.8Confident85 Ų8581.3 Ų81.352%0.52140%0.401SS..Hα-helixtrans-76.4-23.7174.967.20000112.8H307 E308H307-T310 PolarHBondContact CE1-OG1 2.9Å; H307-T310 PolarHBondContact ND1-OG1 2.93Å; H307-T310 VanDerWaalsContact O-CB 3.29Å; H307-T310 WeakPolarHBondContact O-CB 3.18Å; H307-T310 WeakPolarHBondContact O-CG2 3.39Å; H307-T310 PolarHBondContact O-N 3.12Å; H307-T310 PolarHBondContact O-OG1 2.6Å; E308-T310 PolarHBondContact O-N 3.25Å
311H84.2Confident84.9Confident86 Ų8685 Ų8540%0.39842%0.422SS..Hα-helixtrans-86.4-45.5172.9-64.9-63.2000111.2C294 H307 E308 R309 G313C294-H311 PolarHBondContact SG-NE2 3.28Å; C294-H311 VanDerWaalsContact SG-NE2 3.35Å; H307-H311 AromaticContact CE1-NE2 3.64Å; H307-H311 AromaticContact NE2-NE2 3.42Å; H307-H311 PolarHBondContact NE2-NE2 3.41Å; E308-H311 WeakPolarHBondContact O-CA 3.4Å; E308-H311 WeakPolarHBondContact O-CB 3.38Å; E308-H311 PolarHBondContact O-N 3.13Å; R309-H311 VanDerWaalsContact C-N 3.35Å; H311-G313 PolarHBondContact O-N 3.21Å
312T85.8Confident85.3Confident86 Ų8684 Ų8453%0.52842%0.42SS..Hα-helixtrans-74.1-17.2-179.964.50000113.1E308 R309 E314E308-T312 PolarHBondContact O-N 3.39Å; R309-T312 WeakPolarHBondContact CA-OG1 3.49Å; T312-E314 PolarHBondContact O-N 2.81Å; T312-E314 WeakPolarHBondContact OG1-CB 3.4Å; T312-E314 WeakPolarHBondContact OG1-CG 3.31Å; T312-E314 PolarHBondContact OG1-N 3.15Å
313G83.3Confident85.5Confident46 Ų4683 Ų8347%0.47442%0.423SS..  trans71.55.9-174.700000113.8R309 H311 K315R309-G313 WeakPolarHBondContact O-CA 3.4Å; R309-G313 PolarHBondContact O-N 2.8Å; H311-G313 PolarHBondContact O-N 3.21Å; G313-K315 PolarHBondContact O-N 3.03Å
314E84.5Confident85.7Confident113 Ų11385.9 Ų85.953%0.52843%0.433SS..  trans-59.1127.1-177.9-78.9-179.5-171.200112.2R309 T312 S327R309-E314 HydrophobicContact CG-CB 4.46Å; R309-E314 PolarHBondContact O-N 3.38Å; T312-E314 PolarHBondContact O-N 2.81Å; T312-E314 WeakPolarHBondContact OG1-CB 3.4Å; T312-E314 WeakPolarHBondContact OG1-CG 3.31Å; T312-E314 PolarHBondContact OG1-N 3.15Å; E314-S327 PolarHBondContact O-OG 3.32Å
315K87.5Confident85.9Confident108 Ų10886.8 Ų86.847%0.4744%0.442SS..  trans-131.579.4-179.9-73.6167.2174.9-175.60109.4G313 Y317 A325 F326 S327G313-K315 PolarHBondContact O-N 3.03Å; K315-Y317 PolarHBondContact O-N 2.98Å; K315-A325 HydrophobicContact CB-CB 3.45Å; K315-A325 VanDerWaalsContact CB-CB 3.45Å; K315-A325 HydrophobicContact CD-CB 4.04Å; K315-A325 WeakPolarHBondContact CD-O 3.29Å; K315-A325 HydrophobicContact CG-CB 4.32Å; K315-F326 CarbonylContact C-O 3.59Å; K315-F326 VanDerWaalsContact C-O 3.31Å; K315-F326 WeakPolarHBondContact CA-O 3.45Å; K315-S327 WeakPolarHBondContact CG-OG 3.4Å
316P86.6Confident86.1Confident74 Ų7481.3 Ų81.348%0.48142%0.423SS..  trans-62.2-26.8-172.1-24.635.3000114
317Y88.7Confident86.3Confident76 Ų7677.4 Ų77.430%0.29841%0.412SS..EExtended strand (participates in β ladder)trans-99.4102.5-173-51.5-76.3000110.2K315 A325 F326 Y328 L329 F332K315-Y317 PolarHBondContact O-N 2.98Å; Y317-A325 CarbonylContact O-C 3.19Å; Y317-A325 WeakPolarHBondContact O-CA 3.32Å; Y317-F326 WeakPolarHBondContact CD2-O 3.38Å; Y317-F326 PolarHBondContact N-O 3.41Å; Y317-F326 VanDerWaalsContact N-O 3.16Å; Y317-F326 PolarHBondContact O-N 3.08Å; Y317-Y328 VanDerWaalsContact CD2-C 3.4Å; Y317-L329 HydrophobicContact CD1-CB 4.29Å; Y317-L329 HydrophobicContact CD1-CD1 3.76Å; Y317-L329 HydrophobicContact CD2-CB 4.44Å; Y317-L329 HydrophobicContact CE1-CB 3.84Å; Y317-L329 HydrophobicContact CE1-CD1 3.76Å; Y317-L329 HydrophobicContact CE1-CG 4.26Å; Y317-L329 HydrophobicContact CE2-CB 4.01Å; Y317-L329 HydrophobicContact CG-CD1 4.47Å; Y317-F332 HydrophobicContact CG-CB 4.33Å
318R85.8Confident86.3Confident184 Ų18479.7 Ų79.769%0.69442%0.42SS*.EExtended strand (participates in β ladder)trans-101.4133.6-179.7-68.2-171.9175.1-178.50111.3A325R318-A325 HydrophobicContact CG-CB 3.76Å
319C88.8Confident86.3Confident3 Ų379.8 Ų79.82%0.0242%0.423CS..  trans-79.6121.5169.8-177.30000110.6I321 G323 K324 F332 H335 H339C319-I321 PolarHBondContact O-N 3.18Å; C319-I321 PolarHBondContact SG-N 3.44Å; C319-I321 VanDerWaalsContact SG-N 3.42Å; C319-G323 WeakPolarHBondContact O-CA 3.37Å; C319-G323 PolarHBondContact O-N 3.42Å; C319-K324 WeakPolarHBondContact CB-O 3.38Å; C319-K324 PolarHBondContact N-O 3.38Å; C319-F332 VanDerWaalsContact CA-CE2 3.49Å; C319-F332 HydrophobicContact CB-CD2 4.46Å; C319-F332 HydrophobicContact CB-CE2 3.79Å; C319-H335 WeakPolarHBondContact CB-NE2 3.39Å; C319-H335 PolarHBondContact SG-NE2 3.32Å; C319-H335 VanDerWaalsContact SG-NE2 3.45Å; C319-H339 VanDerWaalsContact SG-CD2 3.59Å; C319-H339 PolarHBondContact SG-NE2 2.6Å
320N88.4Confident86.1Confident163 Ų16380.3 Ų80.387%0.87243%0.434SS*.THydrogen-bonded Turntrans-72.2-18.2178.6-63.5-21.6000113
321I82.7Confident86.2Confident127 Ų12779.9 Ų79.965%0.65143%0.428SS*.THydrogen-bonded Turntrans-85.8-47.2-177.2-57.8172.4000111.5C319 H339C319-I321 PolarHBondContact O-N 3.18Å; C319-I321 PolarHBondContact SG-N 3.44Å; C319-I321 VanDerWaalsContact SG-N 3.42Å; I321-H339 HydrophobicContact CD1-CB 3.69Å
322C88.1Confident86.4Confident55 Ų5577 Ų7737%0.37242%0.415SS..THydrogen-bonded Turntrans-115.42.5-178.280.20000114.8K324 H335C322-K324 PolarHBondContact O-N 3Å; C322-K324 VanDerWaalsContact O-N 3.17Å; C322-K324 VanDerWaalsContact SG-CB 3.56Å; C322-K324 WeakPolarHBondContact SG-CG 3.18Å; C322-H335 PolarHBondContact SG-CE1 3.44Å; C322-H335 PolarHBondContact SG-NE2 2.94Å
323G85.9Confident86.4Confident59 Ų5977.1 Ų77.161%0.60841%0.409SS*.  trans70.15.1-18000000115.1C319C319-G323 WeakPolarHBondContact O-CA 3.37Å; C319-G323 PolarHBondContact O-N 3.42Å
324K88.6Confident86.5Confident101 Ų10176.9 Ų76.944%0.43940%0.397SS..  trans-72.7134.4179.7-74.9177.8-173.5173.90110.1C319 C322 F326C319-K324 WeakPolarHBondContact CB-O 3.38Å; C319-K324 PolarHBondContact N-O 3.38Å; C322-K324 PolarHBondContact O-N 3Å; C322-K324 VanDerWaalsContact O-N 3.17Å; C322-K324 VanDerWaalsContact SG-CB 3.56Å; C322-K324 WeakPolarHBondContact SG-CG 3.18Å; K324-F326 HydrophobicContact CB-CE2 3.74Å; K324-F326 HydrophobicContact CB-CZ 3.91Å; K324-F326 HydrophobicContact CD-CZ 4.5Å; K324-F326 WeakPolarHBondContact O-CE2 3.34Å
325A87.6Confident86.6Confident29 Ų2972.1 Ų72.124%0.2438%0.375CS..EExtended strand (participates in β ladder)trans-108.5143.3178.700000111.1K315 Y317 R318K315-A325 HydrophobicContact CB-CB 3.45Å; K315-A325 VanDerWaalsContact CB-CB 3.45Å; K315-A325 HydrophobicContact CD-CB 4.04Å; K315-A325 WeakPolarHBondContact CD-O 3.29Å; K315-A325 HydrophobicContact CG-CB 4.32Å; Y317-A325 CarbonylContact O-C 3.19Å; Y317-A325 WeakPolarHBondContact O-CA 3.32Å; R318-A325 HydrophobicContact CG-CB 3.76Å
326F87.3Confident86.6Confident44 Ų4471 Ų7119%0.19337%0.371CS..EExtended strand (participates in β ladder)trans-128.6144.1-177.3-57.3-95.2000110.7K315 Y317 K324 Y328 N331 F332 H335K315-F326 CarbonylContact C-O 3.59Å; K315-F326 VanDerWaalsContact C-O 3.31Å; K315-F326 WeakPolarHBondContact CA-O 3.45Å; Y317-F326 WeakPolarHBondContact CD2-O 3.38Å; Y317-F326 PolarHBondContact N-O 3.41Å; Y317-F326 VanDerWaalsContact N-O 3.16Å; Y317-F326 PolarHBondContact O-N 3.08Å; K324-F326 HydrophobicContact CB-CE2 3.74Å; K324-F326 HydrophobicContact CB-CZ 3.91Å; K324-F326 HydrophobicContact CD-CZ 4.5Å; K324-F326 WeakPolarHBondContact O-CE2 3.34Å; F326-Y328 VanDerWaalsContact C-N 3.29Å; F326-N331 HydrophobicContact CB-CB 4.48Å; F326-N331 HydrophobicContact CD1-CB 4.05Å; F326-F332 HydrophobicContact CB-CB 4.07Å; F326-F332 HydrophobicContact CD2-CB 4.03Å; F326-F332 AromaticContact CD2-CD2 3.79Å; F326-F332 HydrophobicContact CD2-CD2 3.79Å; F326-F332 HydrophobicContact CD2-CG 4.4Å; F326-F332 HydrophobicContact CE2-CD2 4.19Å; F326-F332 HydrophobicContact CG-CB 4.18Å; F326-H335 HydrophobicContact CE1-CB 3.85Å; F326-H335 HydrophobicContact CE2-CB 3.84Å; F326-H335 AromaticContact CE2-CD2 3.14Å; F326-H335 WeakPolarHBondContact CE2-CD2 3.49Å; F326-H335 AromaticContact CE2-CG 3.51Å; F326-H335 AromaticContact CE2-NE2 3.81Å; F326-H335 HydrophobicContact CZ-CB 3.38Å; F326-H335 AromaticContact CZ-CD2 3.33Å; F326-H335 WeakPolarHBondContact CZ-CD2 3.42Å; F326-H335 AromaticContact CZ-CG 3.17Å; F326-H335 AromaticContact CZ-ND1 3.79Å; F326-H335 AromaticContact CZ-NE2 3.94Å
327S86.9Confident86.6Confident23 Ų2370 Ų7016%0.16136%0.358CS..SBendtrans-80-12.5178.2-43.50000113.2R309 E314 K315R309-S327 PolarHBondContact NH1-O 3.16Å; E314-S327 PolarHBondContact O-OG 3.32Å; K315-S327 WeakPolarHBondContact CG-OG 3.4Å
328Y83.9Confident86.4Confident68 Ų6870 Ų7027%0.26737%0.366SS..SBendtrans-131.9135.4-174.4-61-103.9000110.6R306 Y317 F326 T330 N331 F332R306-Y328 HydrophobicContact CG-CD1 4.13Å; R306-Y328 HydrophobicContact CG-CE1 3.4Å; R306-Y328 VanDerWaalsContact CG-CE1 3.4Å; Y317-Y328 VanDerWaalsContact CD2-C 3.4Å; F326-Y328 VanDerWaalsContact C-N 3.29Å; Y328-T330 PolarHBondContact O-N 3.3Å; Y328-N331 PolarHBondContact O-N 3.43Å; Y328-F332 PolarHBondContact O-N 2.93Å; Y328-F332 VanDerWaalsContact O-N 3.13Å
329L86.4Confident86.4Confident76 Ų7664.7 Ų64.740%0.39835%0.349SS..Hα-helixtrans-60.7-43.4178.5-179.556.2000112.2Y317 N331 F332 Q333Y317-L329 HydrophobicContact CD1-CB 4.29Å; Y317-L329 HydrophobicContact CD1-CD1 3.76Å; Y317-L329 HydrophobicContact CD2-CB 4.44Å; Y317-L329 HydrophobicContact CE1-CB 3.84Å; Y317-L329 HydrophobicContact CE1-CD1 3.76Å; Y317-L329 HydrophobicContact CE1-CG 4.26Å; Y317-L329 HydrophobicContact CE2-CB 4.01Å; Y317-L329 HydrophobicContact CG-CD1 4.47Å; L329-N331 VanDerWaalsContact C-N 3.29Å; L329-N331 PolarHBondContact O-N 3.45Å; L329-F332 HydrophobicContact CD1-CD1 4.23Å; L329-F332 WeakPolarHBondContact O-CB 3.31Å; L329-F332 PolarHBondContact O-N 3.11Å; L329-F332 VanDerWaalsContact O-N 3.13Å; L329-Q333 HydrophobicContact CD1-CG 4.18Å; L329-Q333 HydrophobicContact CG-CG 4.37Å; L329-Q333 WeakPolarHBondContact O-CG 3.47Å; L329-Q333 PolarHBondContact O-N 3.14Å
330T82.7Confident86.3Confident81 Ų8168.6 Ų68.650%0.49737%0.373SS..Hα-helixtrans-61.2-38.818053.40000112.2Y328 F332 Q333 D334Y328-T330 PolarHBondContact O-N 3.3Å; T330-F332 VanDerWaalsContact C-N 3.34Å; T330-Q333 PolarHBondContact O-N 3.35Å; T330-D334 VanDerWaalsContact O-CB 3.29Å; T330-D334 WeakPolarHBondContact O-CB 3.36Å; T330-D334 PolarHBondContact O-N 3.31Å
331N86.7Confident86Confident76 Ų7663.1 Ų63.141%0.40636%0.355SS..Hα-helixtrans-70.9-34.5177.8-65.7-1.4000111.5F326 Y328 L329 H335F326-N331 HydrophobicContact CB-CB 4.48Å; F326-N331 HydrophobicContact CD1-CB 4.05Å; Y328-N331 PolarHBondContact O-N 3.43Å; L329-N331 VanDerWaalsContact C-N 3.29Å; L329-N331 PolarHBondContact O-N 3.45Å; N331-H335 VanDerWaalsContact O-CB 3.26Å; N331-H335 WeakPolarHBondContact O-CB 3.42Å; N331-H335 PolarHBondContact O-N 3.33Å
332F88.1Confident86.2Confident25 Ų2562.4 Ų62.411%0.1135%0.349CS..Hα-helixtrans-65.2-50.5172.9172.5-114.4000111.2Y317 C319 F326 Y328 L329 T330 D334 H335 E336Y317-F332 HydrophobicContact CG-CB 4.33Å; C319-F332 VanDerWaalsContact CA-CE2 3.49Å; C319-F332 HydrophobicContact CB-CD2 4.46Å; C319-F332 HydrophobicContact CB-CE2 3.79Å; F326-F332 HydrophobicContact CB-CB 4.07Å; F326-F332 HydrophobicContact CD2-CB 4.03Å; F326-F332 AromaticContact CD2-CD2 3.79Å; F326-F332 HydrophobicContact CD2-CD2 3.79Å; F326-F332 HydrophobicContact CD2-CG 4.4Å; F326-F332 HydrophobicContact CE2-CD2 4.19Å; F326-F332 HydrophobicContact CG-CB 4.18Å; Y328-F332 PolarHBondContact O-N 2.93Å; Y328-F332 VanDerWaalsContact O-N 3.13Å; L329-F332 HydrophobicContact CD1-CD1 4.23Å; L329-F332 WeakPolarHBondContact O-CB 3.31Å; L329-F332 PolarHBondContact O-N 3.11Å; L329-F332 VanDerWaalsContact O-N 3.13Å; T330-F332 VanDerWaalsContact C-N 3.34Å; F332-D334 VanDerWaalsContact C-N 3.34Å; F332-D334 PolarHBondContact O-N 3.42Å; F332-H335 CarbonylContact O-C 3.44Å; F332-H335 WeakPolarHBondContact O-CA 3.37Å; F332-H335 WeakPolarHBondContact O-CB 3.32Å; F332-H335 PolarHBondContact O-N 3.48Å; F332-E336 HydrophobicContact CD2-CG 4.31Å; F332-E336 VanDerWaalsContact CE1-CD 3.44Å; F332-E336 HydrophobicContact CE1-CG 4.07Å; F332-E336 HydrophobicContact CE2-CG 3.74Å; F332-E336 HydrophobicContact CZ-CG 3.63Å; F332-E336 WeakPolarHBondContact CZ-OE1 3.43Å; F332-E336 PolarHBondContact O-N 3.35Å
333Q86.7Confident86.3Confident88 Ų8865.1 Ų65.141%0.41135%0.354SS..Hα-helixtrans-57.7-45.4176.1-71.8173.6-30.700111.9L329 T330 H335 E336 R337L329-Q333 HydrophobicContact CD1-CG 4.18Å; L329-Q333 HydrophobicContact CG-CG 4.37Å; L329-Q333 WeakPolarHBondContact O-CG 3.47Å; L329-Q333 PolarHBondContact O-N 3.14Å; T330-Q333 PolarHBondContact O-N 3.35Å; Q333-H335 PolarHBondContact O-N 3.35Å; Q333-E336 PolarHBondContact O-N 3.36Å; Q333-R337 PolarHBondContact O-N 2.91Å
334D85.6Confident86.3Confident41 Ų4165.7 Ų65.722%0.21935%0.347CS..Hα-helixtrans-63-32.6175-85.7-10.5000112.5T330 F332 R337 Y356T330-D334 VanDerWaalsContact O-CB 3.29Å; T330-D334 WeakPolarHBondContact O-CB 3.36Å; T330-D334 PolarHBondContact O-N 3.31Å; F332-D334 VanDerWaalsContact C-N 3.34Å; F332-D334 PolarHBondContact O-N 3.42Å; D334-R337 IonicContact OD1-CZ 2.99Å; D334-R337 IonicContact OD1-NH1 2.96Å; D334-R337 PolarHBondContact OD1-NH1 2.79Å; D334-R337 IonicContact OD1-NH2 2.75Å; D334-Y356 HydrophobicContact CB-CD1 4.29Å; D334-Y356 HydrophobicContact CB-CE1 3.66Å
335H86.3Confident86.4Confident14 Ų1464.1 Ų64.17%0.06534%0.339CS..Hα-helixtrans-73-38.3173.7163.762.8000112.3C319 C322 F326 N331 F332 Q333 R337 T338 H339C319-H335 WeakPolarHBondContact CB-NE2 3.39Å; C319-H335 PolarHBondContact SG-NE2 3.32Å; C319-H335 VanDerWaalsContact SG-NE2 3.45Å; C322-H335 PolarHBondContact SG-CE1 3.44Å; C322-H335 PolarHBondContact SG-NE2 2.94Å; F326-H335 HydrophobicContact CE1-CB 3.85Å; F326-H335 HydrophobicContact CE2-CB 3.84Å; F326-H335 AromaticContact CE2-CD2 3.14Å; F326-H335 WeakPolarHBondContact CE2-CD2 3.49Å; F326-H335 AromaticContact CE2-CG 3.51Å; F326-H335 AromaticContact CE2-NE2 3.81Å; F326-H335 HydrophobicContact CZ-CB 3.38Å; F326-H335 AromaticContact CZ-CD2 3.33Å; F326-H335 WeakPolarHBondContact CZ-CD2 3.42Å; F326-H335 AromaticContact CZ-CG 3.17Å; F326-H335 AromaticContact CZ-ND1 3.79Å; F326-H335 AromaticContact CZ-NE2 3.94Å; N331-H335 VanDerWaalsContact O-CB 3.26Å; N331-H335 WeakPolarHBondContact O-CB 3.42Å; N331-H335 PolarHBondContact O-N 3.33Å; F332-H335 CarbonylContact O-C 3.44Å; F332-H335 WeakPolarHBondContact O-CA 3.37Å; F332-H335 WeakPolarHBondContact O-CB 3.32Å; F332-H335 PolarHBondContact O-N 3.48Å; Q333-H335 PolarHBondContact O-N 3.35Å; H335-R337 PolarHBondContact O-N 2.98Å; H335-T338 PolarHBondContact ND1-OG1 2.9Å; H335-T338 WeakPolarHBondContact O-CA 3.47Å; H335-T338 VanDerWaalsContact O-CB 3.27Å; H335-T338 WeakPolarHBondContact O-CB 3.26Å; H335-T338 WeakPolarHBondContact O-CG2 3.43Å; H335-T338 PolarHBondContact O-N 3.27Å; H335-T338 PolarHBondContact O-OG1 3.14Å; H335-H339 AromaticContact CE1-CD2 4Å; H335-H339 AromaticContact CE1-NE2 3.4Å; H335-H339 PolarHBondContact CE1-NE2 3.24Å; H335-H339 AromaticContact NE2-CD2 3.96Å; H335-H339 AromaticContact NE2-NE2 3.48Å; H335-H339 PolarHBondContact NE2-NE2 3.21Å
336E86.8Confident86.6Confident85 Ų8566.4 Ų66.440%0.39735%0.35SS..Hα-helixtrans-57.3-33.6175.5-72-172.1121.300111.7F332 Q333 T338 H339 T340F332-E336 HydrophobicContact CD2-CG 4.31Å; F332-E336 VanDerWaalsContact CE1-CD 3.44Å; F332-E336 HydrophobicContact CE1-CG 4.07Å; F332-E336 HydrophobicContact CE2-CG 3.74Å; F332-E336 HydrophobicContact CZ-CG 3.63Å; F332-E336 WeakPolarHBondContact CZ-OE1 3.43Å; F332-E336 PolarHBondContact O-N 3.35Å; Q333-E336 PolarHBondContact O-N 3.36Å; E336-T338 PolarHBondContact O-N 3.31Å; E336-T338 VanDerWaalsContact O-N 3.1Å; E336-H339 WeakPolarHBondContact O-CB 3.38Å; E336-H339 PolarHBondContact O-N 3.39Å; E336-T340 PolarHBondContact O-N 3.24Å; E336-T340 VanDerWaalsContact O-N 3.12Å
337R87.3Confident86.8Confident51 Ų5164.5 Ų64.519%0.19234%0.342CS..Hα-helixtrans-59.7-21.3172.3-61-178.4-174141.313.3114.1Q333 D334 H335 H339 T340 G341 E342 T355Q333-R337 PolarHBondContact O-N 2.91Å; D334-R337 IonicContact OD1-CZ 2.99Å; D334-R337 IonicContact OD1-NH1 2.96Å; D334-R337 PolarHBondContact OD1-NH1 2.79Å; D334-R337 IonicContact OD1-NH2 2.75Å; H335-R337 PolarHBondContact O-N 2.98Å; R337-H339 VanDerWaalsContact C-N 3.29Å; R337-T340 WeakPolarHBondContact CA-OG1 3.48Å; R337-G341 WeakPolarHBondContact O-CA 3.47Å; R337-G341 PolarHBondContact O-N 2.89Å; R337-E342 HydrophobicContact CG-CB 4.42Å; R337-E342 PolarHBondContact O-N 3.32Å; R337-T355 HydrophobicContact CB-CG2 3.49Å; R337-T355 VanDerWaalsContact CB-CG2 3.49Å; R337-T355 HydrophobicContact CG-CG2 4.36Å; R337-T355 PolarHBondContact NH1-O 3.5Å; R337-T355 VanDerWaalsContact NH1-O 3.12Å
338T84.3Confident86.9Confident77 Ų7770.1 Ų70.147%0.47238%0.375SS..Hα-helixtrans-72.7-23.4173.9700000112.6H335 E336H335-T338 PolarHBondContact ND1-OG1 2.9Å; H335-T338 WeakPolarHBondContact O-CA 3.47Å; H335-T338 VanDerWaalsContact O-CB 3.27Å; H335-T338 WeakPolarHBondContact O-CB 3.26Å; H335-T338 WeakPolarHBondContact O-CG2 3.43Å; H335-T338 PolarHBondContact O-N 3.27Å; H335-T338 PolarHBondContact O-OG1 3.14Å; E336-T338 PolarHBondContact O-N 3.31Å; E336-T338 VanDerWaalsContact O-N 3.1Å
339H85.6Confident87Confident72 Ų7273.2 Ų73.233%0.33339%0.392SS..Hα-helixtrans-87.7-43.1173.8-67.4-57.6000112.2C319 I321 H335 E336 R337 G341C319-H339 VanDerWaalsContact SG-CD2 3.59Å; C319-H339 PolarHBondContact SG-NE2 2.6Å; I321-H339 HydrophobicContact CD1-CB 3.69Å; H335-H339 AromaticContact CE1-CD2 4Å; H335-H339 AromaticContact CE1-NE2 3.4Å; H335-H339 PolarHBondContact CE1-NE2 3.24Å; H335-H339 AromaticContact NE2-CD2 3.96Å; H335-H339 AromaticContact NE2-NE2 3.48Å; H335-H339 PolarHBondContact NE2-NE2 3.21Å; E336-H339 WeakPolarHBondContact O-CB 3.38Å; E336-H339 PolarHBondContact O-N 3.39Å; R337-H339 VanDerWaalsContact C-N 3.29Å; H339-G341 VanDerWaalsContact C-N 3.27Å; H339-G341 PolarHBondContact O-N 3.49Å
340T86.2Confident87.2Confident85 Ų8572.2 Ų72.252%0.52139%0.391SS..Hα-helixtrans-74.3-21.1179.164.40000112.5E336 R337 E342E336-T340 PolarHBondContact O-N 3.24Å; E336-T340 VanDerWaalsContact O-N 3.12Å; R337-T340 WeakPolarHBondContact CA-OG1 3.48Å; T340-E342 PolarHBondContact O-N 3.16Å; T340-E342 WeakPolarHBondContact OG1-CB 3.34Å; T340-E342 WeakPolarHBondContact OG1-CG 3.43Å; T340-E342 PolarHBondContact OG1-N 3.25Å
341G83.5Confident87.4Confident48 Ų4870.9 Ų70.950%0.49539%0.393SS..  trans73.17.3-17400000113.4R337 H339 K343R337-G341 WeakPolarHBondContact O-CA 3.47Å; R337-G341 PolarHBondContact O-N 2.89Å; H339-G341 VanDerWaalsContact C-N 3.27Å; H339-G341 PolarHBondContact O-N 3.49Å; G341-K343 PolarHBondContact O-N 2.89Å
342E86.5Confident87.6Confident113 Ų11373.3 Ų73.353%0.52840%0.4SS..  trans-61132.3-179.7-77179-172.200111.8R337 T340R337-E342 HydrophobicContact CG-CB 4.42Å; R337-E342 PolarHBondContact O-N 3.32Å; T340-E342 PolarHBondContact O-N 3.16Å; T340-E342 WeakPolarHBondContact OG1-CB 3.34Å; T340-E342 WeakPolarHBondContact OG1-CG 3.43Å; T340-E342 PolarHBondContact OG1-N 3.25Å
343K89.1Confident87.7Confident111 Ų11173.8 Ų73.848%0.48341%0.408SS..  trans-130.177179.9-70.9171.6178.3-177.40109.7G341 Y345 A353 F354G341-K343 PolarHBondContact O-N 2.89Å; K343-Y345 PolarHBondContact O-N 3.27Å; K343-Y345 VanDerWaalsContact O-N 3.11Å; K343-A353 HydrophobicContact CB-CB 3.43Å; K343-A353 VanDerWaalsContact CB-CB 3.43Å; K343-A353 HydrophobicContact CD-CB 4.03Å; K343-A353 WeakPolarHBondContact CD-O 3.39Å; K343-A353 HydrophobicContact CG-CB 4.34Å; K343-F354 CarbonylContact C-O 3.56Å; K343-F354 VanDerWaalsContact C-O 3.27Å; K343-F354 WeakPolarHBondContact CA-O 3.28Å
344P87.3Confident87.8Confident71 Ų7171.6 Ų71.646%0.46140%0.398SS..  trans-61.7-24.3-171.6-2434.6000114V346P344-V346 PolarHBondContact O-N 3.33Å
345Y90.6Very high87.9Confident69 Ų6970.8 Ų70.827%0.27139%0.394SS..EExtended strand (participates in β ladder)trans-98.392.8-172.2-53.7-76.4000110.7K343 A353 F354 Y356 Y357 F360K343-Y345 PolarHBondContact O-N 3.27Å; K343-Y345 VanDerWaalsContact O-N 3.11Å; Y345-A353 CarbonylContact O-C 3.53Å; Y345-A353 WeakPolarHBondContact O-CA 3.18Å; Y345-F354 WeakPolarHBondContact CD2-O 3.34Å; Y345-F354 PolarHBondContact N-O 3.33Å; Y345-F354 WeakPolarHBondContact O-CD2 3.22Å; Y345-F354 PolarHBondContact O-N 3.47Å; Y345-Y356 VanDerWaalsContact CD2-C 3.43Å; Y345-Y357 AromaticContact CD1-CD2 3.71Å; Y345-Y357 HydrophobicContact CD1-CD2 3.71Å; Y345-Y357 HydrophobicContact CD1-CG 4.46Å; Y345-Y357 AromaticContact CE1-CD2 3.55Å; Y345-Y357 HydrophobicContact CE1-CD2 3.55Å; Y345-Y357 HydrophobicContact CE1-CG 4.07Å; Y345-F360 HydrophobicContact CD1-CD1 4.38Å; Y345-F360 HydrophobicContact CG-CB 4.29Å; Y345-F360 HydrophobicContact CG-CD1 4.48Å
346V90.2Very high87.8Confident76 Ų7674.6 Ų74.646%0.46141%0.409SS..EExtended strand (participates in β ladder)trans-94132.7-179.8-1750000110.9P344 A353 F360P344-V346 PolarHBondContact O-N 3.33Å; V346-A353 HydrophobicContact CG2-CB 3.88Å; V346-F360 WeakPolarHBondContact O-CE2 3.27Å; V346-F360 WeakPolarHBondContact O-CZ 3.27Å
347C92Very high87.8Confident4 Ų476.8 Ų76.83%0.02741%0.414CS..  trans-80.7114.9170.1-173.30000111.1Q349 C350 G351 K352 F360 H363 H367C347-Q349 PolarHBondContact O-N 3.28Å; C347-C350 PolarHBondContact O-N 3.11Å; C347-G351 WeakPolarHBondContact O-CA 3.47Å; C347-G351 PolarHBondContact O-N 3.43Å; C347-K352 WeakPolarHBondContact CB-O 3.3Å; C347-K352 PolarHBondContact N-O 3.28Å; C347-F360 HydrophobicContact CB-CD2 4.43Å; C347-F360 HydrophobicContact CB-CE2 3.87Å; C347-H363 VanDerWaalsContact CB-NE2 3.32Å; C347-H363 WeakPolarHBondContact CB-NE2 3.36Å; C347-H363 PolarHBondContact SG-NE2 3.25Å; C347-H367 VanDerWaalsContact SG-CD2 3.54Å; C347-H367 PolarHBondContact SG-NE2 3.34Å
348T88.7Confident87.7Confident141 Ų14181 Ų8187%0.86543%0.431SS*.THydrogen-bonded Turntrans-64.3-24.7178.553.10000113.2
349Q86.4Confident87.9Confident134 Ų13479.3 Ų79.363%0.62642%0.423SS*.THydrogen-bonded Turntrans-84.5-23.4-177.6-67.9177-10.900114.3C347 H367C347-Q349 PolarHBondContact O-N 3.28Å; Q349-H367 PolarHBondContact OE1-CD2 3.31Å; Q349-H367 VanDerWaalsContact OE1-CD2 3.29Å
350C89.8Confident88.2Confident54 Ų5476.9 Ų76.937%0.36541%0.411SS..THydrogen-bonded Turntrans-136.64.9178.167.10000115.5C347 K352 H363 H367C347-C350 PolarHBondContact O-N 3.11Å; C350-K352 PolarHBondContact O-N 3.4Å; C350-K352 VanDerWaalsContact O-N 3.12Å; C350-K352 VanDerWaalsContact SG-CG 3.59Å; C350-H363 PolarHBondContact SG-CE1 3.35Å; C350-H363 PolarHBondContact SG-NE2 2.87Å; C350-H367 PolarHBondContact SG-NE2 3.06Å
351G88.7Confident88.3Confident53 Ų5375.8 Ų75.855%0.54640%0.4SS..  trans70-0.8-178.300000115.1C347 A353C347-G351 WeakPolarHBondContact O-CA 3.47Å; C347-G351 PolarHBondContact O-N 3.43Å; G351-A353 PolarHBondContact O-N 3.37Å
352K90Very high88.5Confident128 Ų12873.8 Ų73.856%0.55738%0.379SS*.  trans-69.9127.3-178.2-70.7-177.9-176.4178.40111.2C347 C350 F354C347-K352 WeakPolarHBondContact CB-O 3.3Å; C347-K352 PolarHBondContact N-O 3.28Å; C350-K352 PolarHBondContact O-N 3.4Å; C350-K352 VanDerWaalsContact O-N 3.12Å; C350-K352 VanDerWaalsContact SG-CG 3.59Å; K352-F354 HydrophobicContact CB-CE2 3.83Å; K352-F354 HydrophobicContact CB-CZ 3.97Å; K352-F354 WeakPolarHBondContact O-CE2 3.28Å
353A89.6Confident88.6Confident34 Ų3469.2 Ų69.228%0.28136%0.357SS..EExtended strand (participates in β ladder)trans-99.8143.9177.300000111.6K343 Y345 V346 G351K343-A353 HydrophobicContact CB-CB 3.43Å; K343-A353 VanDerWaalsContact CB-CB 3.43Å; K343-A353 HydrophobicContact CD-CB 4.03Å; K343-A353 WeakPolarHBondContact CD-O 3.39Å; K343-A353 HydrophobicContact CG-CB 4.34Å; Y345-A353 CarbonylContact O-C 3.53Å; Y345-A353 WeakPolarHBondContact O-CA 3.18Å; V346-A353 HydrophobicContact CG2-CB 3.88Å; G351-A353 PolarHBondContact O-N 3.37Å
354F89.1Confident88.5Confident42 Ų4268.1 Ų68.118%0.18435%0.352CS..EExtended strand (participates in β ladder)trans-127.7145.3-179.9-57.7-92.8000111.2K343 Y345 K352 F360 H363K343-F354 CarbonylContact C-O 3.56Å; K343-F354 VanDerWaalsContact C-O 3.27Å; K343-F354 WeakPolarHBondContact CA-O 3.28Å; Y345-F354 WeakPolarHBondContact CD2-O 3.34Å; Y345-F354 PolarHBondContact N-O 3.33Å; Y345-F354 WeakPolarHBondContact O-CD2 3.22Å; Y345-F354 PolarHBondContact O-N 3.47Å; K352-F354 HydrophobicContact CB-CE2 3.83Å; K352-F354 HydrophobicContact CB-CZ 3.97Å; K352-F354 WeakPolarHBondContact O-CE2 3.28Å; F354-F360 HydrophobicContact CB-CB 4.05Å; F354-F360 HydrophobicContact CD2-CB 3.94Å; F354-F360 AromaticContact CD2-CD2 3.84Å; F354-F360 HydrophobicContact CD2-CD2 3.84Å; F354-F360 HydrophobicContact CD2-CG 4.38Å; F354-F360 HydrophobicContact CE2-CD2 4.22Å; F354-F360 HydrophobicContact CG-CB 4.13Å; F354-H363 HydrophobicContact CE1-CB 3.84Å; F354-H363 HydrophobicContact CE2-CB 3.8Å; F354-H363 AromaticContact CE2-CD2 3.21Å; F354-H363 WeakPolarHBondContact CE2-CD2 3.33Å; F354-H363 AromaticContact CE2-CG 3.42Å; F354-H363 VanDerWaalsContact CE2-CG 3.42Å; F354-H363 AromaticContact CE2-NE2 3.79Å; F354-H363 HydrophobicContact CZ-CB 3.38Å; F354-H363 AromaticContact CZ-CD2 3.43Å; F354-H363 VanDerWaalsContact CZ-CD2 3.43Å; F354-H363 WeakPolarHBondContact CZ-CD2 3.39Å; F354-H363 AromaticContact CZ-CE1 3.97Å; F354-H363 AromaticContact CZ-CG 3.1Å; F354-H363 AromaticContact CZ-ND1 3.5Å; F354-H363 AromaticContact CZ-NE2 3.93Å
355T87.2Confident88.6Confident25 Ų2567.1 Ų67.115%0.15334%0.34CS..SBendtrans-74.4-31.5177.3-51.70000112.6R337R337-T355 HydrophobicContact CB-CG2 3.49Å; R337-T355 VanDerWaalsContact CB-CG2 3.49Å; R337-T355 HydrophobicContact CG-CG2 4.36Å; R337-T355 PolarHBondContact NH1-O 3.5Å; R337-T355 VanDerWaalsContact NH1-O 3.12Å
356Y85.4Confident88.4Confident94 Ų9467.7 Ų67.737%0.36935%0.353SS..SBendtrans-117.5139-176-55.8-84.7000111.6D334 Y345 Y358 S359 F360D334-Y356 HydrophobicContact CB-CD1 4.29Å; D334-Y356 HydrophobicContact CB-CE1 3.66Å; Y345-Y356 VanDerWaalsContact CD2-C 3.43Å; Y356-Y358 VanDerWaalsContact C-N 3.34Å; Y356-Y358 PolarHBondContact O-N 2.79Å; Y356-S359 PolarHBondContact O-N 3.03Å; Y356-F360 PolarHBondContact O-N 3.18Å; Y356-F360 VanDerWaalsContact O-N 3.12Å
357Y86.7Confident88.3Confident130 Ų13067.3 Ų67.351%0.5135%0.346SS..Hα-helixtrans-59.7-42.1177.6-179.7-112.3000112.5Y345 S359 F360 Q361Y345-Y357 AromaticContact CD1-CD2 3.71Å; Y345-Y357 HydrophobicContact CD1-CD2 3.71Å; Y345-Y357 HydrophobicContact CD1-CG 4.46Å; Y345-Y357 AromaticContact CE1-CD2 3.55Å; Y345-Y357 HydrophobicContact CE1-CD2 3.55Å; Y345-Y357 HydrophobicContact CE1-CG 4.07Å; Y357-S359 VanDerWaalsContact C-N 3.34Å; Y357-S359 PolarHBondContact O-N 2.94Å; Y357-F360 HydrophobicContact CD2-CD1 4.35Å; Y357-F360 HydrophobicContact CE2-CD1 4.5Å; Y357-F360 WeakPolarHBondContact O-CB 3.44Å; Y357-F360 PolarHBondContact O-N 2.78Å; Y357-Q361 HydrophobicContact CD1-CG 4Å; Y357-Q361 HydrophobicContact CD2-CG 4.28Å; Y357-Q361 HydrophobicContact CE1-CG 3.6Å; Y357-Q361 HydrophobicContact CE2-CG 3.91Å; Y357-Q361 HydrophobicContact CG-CG 4.34Å; Y357-Q361 WeakPolarHBondContact O-CG 3.43Å; Y357-Q361 PolarHBondContact O-N 3.36Å; Y357-Q361 PolarHBondContact OH-NE2 2.81Å
358Y85.1Confident88.1Confident139 Ų13971 Ų7155%0.54537%0.368SS..Hα-helixtrans-62.9-39.4178.7174.8-95.1000112.5Y356 F360 Q361 T362Y356-Y358 VanDerWaalsContact C-N 3.34Å; Y356-Y358 PolarHBondContact O-N 2.79Å; Y358-F360 VanDerWaalsContact C-N 3.32Å; Y358-F360 PolarHBondContact O-N 3.11Å; Y358-Q361 PolarHBondContact O-N 3.1Å; Y358-T362 HydrophobicContact CD1-CG2 4.27Å; Y358-T362 HydrophobicContact CD2-CG2 4.33Å; Y358-T362 HydrophobicContact CE1-CG2 3.73Å; Y358-T362 HydrophobicContact CE2-CG2 3.81Å; Y358-T362 VanDerWaalsContact CZ-CG2 3.48Å; Y358-T362 WeakPolarHBondContact O-CG2 3.32Å; Y358-T362 PolarHBondContact O-N 3.48Å; Y358-T362 PolarHBondContact O-OG1 3.16Å
359S89.3Confident87.9Confident43 Ų4366.4 Ų66.430%0.30135%0.349SS..Hα-helixtrans-63.9-39.9175.2-58.90000111.3Y356 Y357 T362 H363Y356-S359 PolarHBondContact O-N 3.03Å; Y357-S359 VanDerWaalsContact C-N 3.34Å; Y357-S359 PolarHBondContact O-N 2.94Å; S359-T362 WeakPolarHBondContact CA-OG1 3.49Å; S359-T362 PolarHBondContact O-OG1 3.42Å; S359-T362 VanDerWaalsContact O-OG1 3.07Å; S359-H363 WeakPolarHBondContact O-CB 3.42Å; S359-H363 PolarHBondContact O-N 2.81Å
360F90.6Very high87.9Confident20 Ų2065.2 Ų65.29%0.08834%0.343CS..Hα-helixtrans-64.3-46.3172.9171.8-124.4000112.7Y345 V346 C347 F354 Y356 Y357 Y358 T362 H363 K364Y345-F360 HydrophobicContact CD1-CD1 4.38Å; Y345-F360 HydrophobicContact CG-CB 4.29Å; Y345-F360 HydrophobicContact CG-CD1 4.48Å; V346-F360 WeakPolarHBondContact O-CE2 3.27Å; V346-F360 WeakPolarHBondContact O-CZ 3.27Å; C347-F360 HydrophobicContact CB-CD2 4.43Å; C347-F360 HydrophobicContact CB-CE2 3.87Å; F354-F360 HydrophobicContact CB-CB 4.05Å; F354-F360 HydrophobicContact CD2-CB 3.94Å; F354-F360 AromaticContact CD2-CD2 3.84Å; F354-F360 HydrophobicContact CD2-CD2 3.84Å; F354-F360 HydrophobicContact CD2-CG 4.38Å; F354-F360 HydrophobicContact CE2-CD2 4.22Å; F354-F360 HydrophobicContact CG-CB 4.13Å; Y356-F360 PolarHBondContact O-N 3.18Å; Y356-F360 VanDerWaalsContact O-N 3.12Å; Y357-F360 HydrophobicContact CD2-CD1 4.35Å; Y357-F360 HydrophobicContact CE2-CD1 4.5Å; Y357-F360 WeakPolarHBondContact O-CB 3.44Å; Y357-F360 PolarHBondContact O-N 2.78Å; Y358-F360 VanDerWaalsContact C-N 3.32Å; Y358-F360 PolarHBondContact O-N 3.11Å; F360-T362 PolarHBondContact O-N 3.24Å; F360-H363 CarbonylContact O-C 3.29Å; F360-H363 WeakPolarHBondContact O-CA 3.25Å; F360-H363 WeakPolarHBondContact O-CB 3.47Å; F360-H363 PolarHBondContact O-N 3.19Å; F360-H363 VanDerWaalsContact O-N 3.12Å; F360-K364 HydrophobicContact CE1-CD 4.46Å; F360-K364 HydrophobicContact CE2-CG 4.11Å; F360-K364 HydrophobicContact CZ-CD 4.24Å; F360-K364 HydrophobicContact CZ-CG 4.3Å; F360-K364 PolarHBondContact O-N 3.16Å
361Q88.4Confident88Confident62 Ų6268 Ų6829%0.2935%0.35SS..Hα-helixtrans-62.3-44.2178.4-76.6-63.2-14.900112.3Y357 Y358 H363 K364Y357-Q361 HydrophobicContact CD1-CG 4Å; Y357-Q361 HydrophobicContact CD2-CG 4.28Å; Y357-Q361 HydrophobicContact CE1-CG 3.6Å; Y357-Q361 HydrophobicContact CE2-CG 3.91Å; Y357-Q361 HydrophobicContact CG-CG 4.34Å; Y357-Q361 WeakPolarHBondContact O-CG 3.43Å; Y357-Q361 PolarHBondContact O-N 3.36Å; Y357-Q361 PolarHBondContact OH-NE2 2.81Å; Y358-Q361 PolarHBondContact O-N 3.1Å; Q361-H363 VanDerWaalsContact C-N 3.3Å; Q361-H363 PolarHBondContact O-N 3.32Å; Q361-K364 PolarHBondContact O-N 3.47Å
362T87Confident88Confident7 Ų768.9 Ų68.94%0.04335%0.346CS..Hα-helixtrans-67.5-31.6173.752.90000112.3Y358 S359 F360 R365 Y384Y358-T362 HydrophobicContact CD1-CG2 4.27Å; Y358-T362 HydrophobicContact CD2-CG2 4.33Å; Y358-T362 HydrophobicContact CE1-CG2 3.73Å; Y358-T362 HydrophobicContact CE2-CG2 3.81Å; Y358-T362 VanDerWaalsContact CZ-CG2 3.48Å; Y358-T362 WeakPolarHBondContact O-CG2 3.32Å; Y358-T362 PolarHBondContact O-N 3.48Å; Y358-T362 PolarHBondContact O-OG1 3.16Å; S359-T362 WeakPolarHBondContact CA-OG1 3.49Å; S359-T362 PolarHBondContact O-OG1 3.42Å; S359-T362 VanDerWaalsContact O-OG1 3.07Å; F360-T362 PolarHBondContact O-N 3.24Å; T362-R365 WeakPolarHBondContact O-CB 3.38Å; T362-R365 PolarHBondContact O-N 2.8Å; T362-Y384 HydrophobicContact CG2-CD1 4.32Å; T362-Y384 HydrophobicContact CG2-CE1 3.95Å
363H88.7Confident88.1Confident17 Ų1766 Ų668%0.07933%0.332CS..Hα-helixtrans-65.9-39.4172.5164.171.5000112.9C347 C350 F354 S359 F360 Q361 R365 C366 H367C347-H363 VanDerWaalsContact CB-NE2 3.32Å; C347-H363 WeakPolarHBondContact CB-NE2 3.36Å; C347-H363 PolarHBondContact SG-NE2 3.25Å; C350-H363 PolarHBondContact SG-CE1 3.35Å; C350-H363 PolarHBondContact SG-NE2 2.87Å; F354-H363 HydrophobicContact CE1-CB 3.84Å; F354-H363 HydrophobicContact CE2-CB 3.8Å; F354-H363 AromaticContact CE2-CD2 3.21Å; F354-H363 WeakPolarHBondContact CE2-CD2 3.33Å; F354-H363 AromaticContact CE2-CG 3.42Å; F354-H363 VanDerWaalsContact CE2-CG 3.42Å; F354-H363 AromaticContact CE2-NE2 3.79Å; F354-H363 HydrophobicContact CZ-CB 3.38Å; F354-H363 AromaticContact CZ-CD2 3.43Å; F354-H363 VanDerWaalsContact CZ-CD2 3.43Å; F354-H363 WeakPolarHBondContact CZ-CD2 3.39Å; F354-H363 AromaticContact CZ-CE1 3.97Å; F354-H363 AromaticContact CZ-CG 3.1Å; F354-H363 AromaticContact CZ-ND1 3.5Å; F354-H363 AromaticContact CZ-NE2 3.93Å; S359-H363 WeakPolarHBondContact O-CB 3.42Å; S359-H363 PolarHBondContact O-N 2.81Å; F360-H363 CarbonylContact O-C 3.29Å; F360-H363 WeakPolarHBondContact O-CA 3.25Å; F360-H363 WeakPolarHBondContact O-CB 3.47Å; F360-H363 PolarHBondContact O-N 3.19Å; F360-H363 VanDerWaalsContact O-N 3.12Å; Q361-H363 VanDerWaalsContact C-N 3.3Å; Q361-H363 PolarHBondContact O-N 3.32Å; H363-R365 PolarHBondContact O-N 3.47Å; H363-R365 VanDerWaalsContact O-N 3.07Å; H363-C366 PolarHBondContact CE1-SG 3.02Å; H363-C366 PolarHBondContact ND1-SG 3.18Å; H363-C366 VanDerWaalsContact ND1-SG 3.44Å; H363-C366 VanDerWaalsContact O-CB 3.27Å; H363-C366 WeakPolarHBondContact O-CB 3.19Å; H363-C366 PolarHBondContact O-N 2.82Å; H363-C366 PolarHBondContact O-SG 2.85Å; H363-H367 AromaticContact CE1-NE2 3.51Å; H363-H367 AromaticContact NE2-CD2 3.91Å; H363-H367 AromaticContact NE2-NE2 3.29Å; H363-H367 PolarHBondContact NE2-NE2 3.15Å
364K88.4Confident88.1Confident87 Ų8768.3 Ų68.338%0.37834%0.342SS..Hα-helixtrans-53.6-32.6176.9-74.2-169.4179.5-173.80112.7F360 Q361 C366 H367 T368F360-K364 HydrophobicContact CE1-CD 4.46Å; F360-K364 HydrophobicContact CE2-CG 4.11Å; F360-K364 HydrophobicContact CZ-CD 4.24Å; F360-K364 HydrophobicContact CZ-CG 4.3Å; F360-K364 PolarHBondContact O-N 3.16Å; Q361-K364 PolarHBondContact O-N 3.47Å; K364-C366 PolarHBondContact O-N 3.01Å; K364-C366 VanDerWaalsContact O-N 3.13Å; K364-H367 PolarHBondContact O-N 2.79Å; K364-T368 PolarHBondContact O-N 3.35Å
365R90Very high88.2Confident51 Ų5166.5 Ų66.519%0.19233%0.334CS..Hα-helixtrans-59.6-22.4174.7-57.4178.2-178.3166.50.7113.6T362 H363 H367 G369 E370 S383T362-R365 WeakPolarHBondContact O-CB 3.38Å; T362-R365 PolarHBondContact O-N 2.8Å; H363-R365 PolarHBondContact O-N 3.47Å; H363-R365 VanDerWaalsContact O-N 3.07Å; R365-H367 VanDerWaalsContact C-N 3.28Å; R365-G369 CarbonylContact O-C 3.56Å; R365-G369 VanDerWaalsContact O-CA 3.31Å; R365-G369 WeakPolarHBondContact O-CA 3.34Å; R365-G369 PolarHBondContact O-N 2.86Å; R365-E370 HydrophobicContact CB-CB 4.45Å; R365-E370 HydrophobicContact CG-CB 4.43Å; R365-E370 PolarHBondContact O-N 3.41Å; R365-S383 PolarHBondContact NH1-O 3.34Å
366C85.8Confident88.3Confident81 Ų8175.6 Ų75.655%0.54737%0.372SS..Hα-helixtrans-70.8-25.3175.286.80000112.8H363 K364H363-C366 PolarHBondContact CE1-SG 3.02Å; H363-C366 PolarHBondContact ND1-SG 3.18Å; H363-C366 VanDerWaalsContact ND1-SG 3.44Å; H363-C366 VanDerWaalsContact O-CB 3.27Å; H363-C366 WeakPolarHBondContact O-CB 3.19Å; H363-C366 PolarHBondContact O-N 2.82Å; H363-C366 PolarHBondContact O-SG 2.85Å; K364-C366 PolarHBondContact O-N 3.01Å; K364-C366 VanDerWaalsContact O-N 3.13Å
367H88Confident88.2Confident68 Ų6877.8 Ų77.832%0.31539%0.386SS..Hα-helixtrans-89.4-43176.9-62.9-61.6000112.4C347 Q349 C350 H363 K364 R365 G369C347-H367 VanDerWaalsContact SG-CD2 3.54Å; C347-H367 PolarHBondContact SG-NE2 3.34Å; Q349-H367 PolarHBondContact OE1-CD2 3.31Å; Q349-H367 VanDerWaalsContact OE1-CD2 3.29Å; C350-H367 PolarHBondContact SG-NE2 3.06Å; H363-H367 AromaticContact CE1-NE2 3.51Å; H363-H367 AromaticContact NE2-CD2 3.91Å; H363-H367 AromaticContact NE2-NE2 3.29Å; H363-H367 PolarHBondContact NE2-NE2 3.15Å; K364-H367 PolarHBondContact O-N 2.79Å; R365-H367 VanDerWaalsContact C-N 3.28Å; H367-G369 PolarHBondContact O-N 3.4Å
368T87.6Confident88.3Confident80 Ų8074.1 Ų74.149%0.49138%0.378SS..Hα-helixtrans-73.9-17.5176.762.10000112.3K364 E370K364-T368 PolarHBondContact O-N 3.35Å; T368-E370 PolarHBondContact O-N 3.06Å; T368-E370 WeakPolarHBondContact OG1-CB 3.4Å; T368-E370 VanDerWaalsContact OG1-CG 3.31Å; T368-E370 WeakPolarHBondContact OG1-CG 3.47Å; T368-E370 PolarHBondContact OG1-N 3.2Å
369G84.1Confident88.4Confident46 Ų4670 Ų7047%0.47438%0.378SS..  trans71.95-173.400000113.4R365 H367 K371R365-G369 CarbonylContact O-C 3.56Å; R365-G369 VanDerWaalsContact O-CA 3.31Å; R365-G369 WeakPolarHBondContact O-CA 3.34Å; R365-G369 PolarHBondContact O-N 2.86Å; H367-G369 PolarHBondContact O-N 3.4Å; G369-K371 PolarHBondContact O-N 3.33Å
370E87.7Confident88.3Confident108 Ų10874 Ų7451%0.50539%0.39SS..  trans-59.6131.2-177.6-78.8172.9-149.300112.1R365 T368 S383R365-E370 HydrophobicContact CB-CB 4.45Å; R365-E370 HydrophobicContact CG-CB 4.43Å; R365-E370 PolarHBondContact O-N 3.41Å; T368-E370 PolarHBondContact O-N 3.06Å; T368-E370 WeakPolarHBondContact OG1-CB 3.4Å; T368-E370 VanDerWaalsContact OG1-CG 3.31Å; T368-E370 WeakPolarHBondContact OG1-CG 3.47Å; T368-E370 PolarHBondContact OG1-N 3.2Å; E370-S383 PolarHBondContact O-OG 3.45Å
371K90.2Very high88.3Confident114 Ų11474.6 Ų74.650%0.49640%0.399SS..  trans-131.376.9179.3-73.5167.6174.2-173.60109.1G369 Y373 A381 F382 S383G369-K371 PolarHBondContact O-N 3.33Å; K371-Y373 PolarHBondContact O-N 2.8Å; K371-Y373 VanDerWaalsContact O-N 3.07Å; K371-A381 HydrophobicContact CB-CB 3.41Å; K371-A381 VanDerWaalsContact CB-CB 3.41Å; K371-A381 HydrophobicContact CD-CB 4.09Å; K371-A381 WeakPolarHBondContact CD-O 3.4Å; K371-A381 HydrophobicContact CG-CB 4.36Å; K371-F382 CarbonylContact C-O 3.46Å; K371-F382 VanDerWaalsContact C-O 3.29Å; K371-F382 WeakPolarHBondContact CA-O 3.25Å; K371-S383 WeakPolarHBondContact CG-OG 3.42Å
372P89Confident88.4Confident71 Ų7173.8 Ų73.846%0.46140%0.395SS..  trans-61.4-22.9-171.6-24.234.9000114V374P372-V374 PolarHBondContact O-N 2.89Å
373Y92.1Very high88.5Confident68 Ų6874.9 Ų74.927%0.26740%0.403SS..EExtended strand (participates in β ladder)trans-95.893.7-175.2-54.6-73.9000110.6K371 A381 F382 Y385 I388K371-Y373 PolarHBondContact O-N 2.8Å; K371-Y373 VanDerWaalsContact O-N 3.07Å; Y373-A381 CarbonylContact O-C 3.49Å; Y373-A381 WeakPolarHBondContact O-CA 3.29Å; Y373-F382 WeakPolarHBondContact CB-O 3.47Å; Y373-F382 WeakPolarHBondContact CD2-O 3.39Å; Y373-F382 PolarHBondContact N-O 3.44Å; Y373-F382 VanDerWaalsContact N-O 3.15Å; Y373-F382 PolarHBondContact O-N 3.07Å; Y373-Y385 AromaticContact CD1-CD2 3.91Å; Y373-Y385 HydrophobicContact CD1-CD2 3.91Å; Y373-Y385 AromaticContact CE1-CD2 3.77Å; Y373-Y385 HydrophobicContact CE1-CD2 3.77Å; Y373-Y385 HydrophobicContact CE1-CG 4.26Å; Y373-Y385 VanDerWaalsContact CE2-N 3.31Å; Y373-I388 HydrophobicContact CD1-CG2 4.38Å; Y373-I388 HydrophobicContact CG-CG2 4.14Å
374V90.6Very high88.4Confident81 Ų8178.5 Ų78.549%0.49142%0.416SS..EExtended strand (participates in β ladder)trans-95.2130.7179.9-172.30000111P372 K376 A381 I388P372-V374 PolarHBondContact O-N 2.89Å; V374-K376 PolarHBondContact O-N 2.92Å; V374-A381 HydrophobicContact CG2-CB 3.93Å; V374-I388 VanDerWaalsContact O-CD1 3.28Å; V374-I388 WeakPolarHBondContact O-CD1 3.39Å
375C90.7Very high88.5Confident4 Ų480.6 Ų80.63%0.02742%0.422CS..  trans-77.2112.3172.9-175.60000110Q377 C378 G379 K380 I388 H391 H395C375-Q377 PolarHBondContact O-N 3.3Å; C375-Q377 VanDerWaalsContact O-N 3.13Å; C375-C378 PolarHBondContact O-N 2.95Å; C375-G379 WeakPolarHBondContact O-CA 3.44Å; C375-G379 PolarHBondContact O-N 3.28Å; C375-K380 WeakPolarHBondContact CB-O 3.44Å; C375-K380 PolarHBondContact N-O 2.99Å; C375-I388 HydrophobicContact CB-CD1 4.27Å; C375-H391 WeakPolarHBondContact CB-NE2 3.32Å; C375-H391 PolarHBondContact SG-NE2 3.08Å; C375-H395 VanDerWaalsContact SG-CD2 3.56Å; C375-H395 PolarHBondContact SG-NE2 2.79Å
376K88.5Confident88.3Confident216 Ų21683.1 Ų83.194%0.93944%0.44SS*.THydrogen-bonded Turntrans-58.1-27.4-178.8-64.6-172.4177.2-173.80113.8V374V374-K376 PolarHBondContact O-N 2.92Å
377Q84.2Confident88.5Confident141 Ų14181.2 Ų81.266%0.65943%0.427SS*.THydrogen-bonded Turntrans-83.8-28.6-175.4-172171.7-600114.5C375 H395C375-Q377 PolarHBondContact O-N 3.3Å; C375-Q377 VanDerWaalsContact O-N 3.13Å; Q377-H395 VanDerWaalsContact CD-CG 3.42Å
378C87.7Confident88.6Confident53 Ų5378.4 Ų78.436%0.35842%0.415SS..THydrogen-bonded Turntrans-1314.4-179.767.90000115.1C375 K380 H391 H395C375-C378 PolarHBondContact O-N 2.95Å; C378-K380 PolarHBondContact O-N 3.17Å; C378-K380 VanDerWaalsContact SG-CG 3.58Å; C378-H391 VanDerWaalsContact SG-CE1 3.54Å; C378-H391 PolarHBondContact SG-NE2 3.1Å; C378-H395 PolarHBondContact SG-NE2 3.03Å
379G87.7Confident88.7Confident53 Ų5377.5 Ų77.555%0.54641%0.405SS..  trans69.1-1.8-178.400000114.9C375 A381C375-G379 WeakPolarHBondContact O-CA 3.44Å; C375-G379 PolarHBondContact O-N 3.28Å; G379-A381 PolarHBondContact O-N 3.49Å
380K88.3Confident88.9Confident126 Ų12677.8 Ų77.855%0.54840%0.397SS..  trans-67.6128.6-179.9-70.7-178.1-175.5177.50110.8C375 C378 F382C375-K380 WeakPolarHBondContact CB-O 3.44Å; C375-K380 PolarHBondContact N-O 2.99Å; C378-K380 PolarHBondContact O-N 3.17Å; C378-K380 VanDerWaalsContact SG-CG 3.58Å; K380-F382 HydrophobicContact CB-CE2 3.9Å; K380-F382 HydrophobicContact CB-CZ 4.15Å; K380-F382 WeakPolarHBondContact O-CE2 3.32Å
381A90.7Very high89Confident33 Ų3373.7 Ų73.727%0.27338%0.378SS..EExtended strand (participates in β ladder)trans-103.2144.6-179.600000111.9K371 Y373 V374 G379K371-A381 HydrophobicContact CB-CB 3.41Å; K371-A381 VanDerWaalsContact CB-CB 3.41Å; K371-A381 HydrophobicContact CD-CB 4.09Å; K371-A381 WeakPolarHBondContact CD-O 3.4Å; K371-A381 HydrophobicContact CG-CB 4.36Å; Y373-A381 CarbonylContact O-C 3.49Å; Y373-A381 WeakPolarHBondContact O-CA 3.29Å; V374-A381 HydrophobicContact CG2-CB 3.93Å; G379-A381 PolarHBondContact O-N 3.49Å
382F89.2Confident88.9Confident45 Ų4572.7 Ų72.720%0.19737%0.374CS..EExtended strand (participates in β ladder)trans-129.5147.7-178.9-59-93.1000111.1K371 Y373 K380 I388 H391K371-F382 CarbonylContact C-O 3.46Å; K371-F382 VanDerWaalsContact C-O 3.29Å; K371-F382 WeakPolarHBondContact CA-O 3.25Å; Y373-F382 WeakPolarHBondContact CB-O 3.47Å; Y373-F382 WeakPolarHBondContact CD2-O 3.39Å; Y373-F382 PolarHBondContact N-O 3.44Å; Y373-F382 VanDerWaalsContact N-O 3.15Å; Y373-F382 PolarHBondContact O-N 3.07Å; K380-F382 HydrophobicContact CB-CE2 3.9Å; K380-F382 HydrophobicContact CB-CZ 4.15Å; K380-F382 WeakPolarHBondContact O-CE2 3.32Å; F382-I388 HydrophobicContact CB-CB 4.33Å; F382-I388 HydrophobicContact CD2-CB 3.84Å; F382-I388 HydrophobicContact CD2-CG1 4.13Å; F382-I388 HydrophobicContact CG-CB 4.25Å; F382-H391 HydrophobicContact CE1-CB 3.95Å; F382-H391 HydrophobicContact CE2-CB 3.81Å; F382-H391 AromaticContact CE2-CD2 3.27Å; F382-H391 WeakPolarHBondContact CE2-CD2 3.47Å; F382-H391 AromaticContact CE2-CG 3.44Å; F382-H391 VanDerWaalsContact CE2-CG 3.44Å; F382-H391 AromaticContact CE2-NE2 3.85Å; F382-H391 HydrophobicContact CZ-CB 3.42Å; F382-H391 VanDerWaalsContact CZ-CB 3.42Å; F382-H391 AromaticContact CZ-CD2 3.52Å; F382-H391 AromaticContact CZ-CG 3.17Å; F382-H391 AromaticContact CZ-ND1 3.57Å
383S88.6Confident88.9Confident30 Ų3072.2 Ų72.221%0.2136%0.363CS..SBendtrans-82.2-18178.9-53.10000113.3R365 E370 K371R365-S383 PolarHBondContact NH1-O 3.34Å; E370-S383 PolarHBondContact O-OG 3.45Å; K371-S383 WeakPolarHBondContact CG-OG 3.42Å
384Y88.2Confident88.6Confident93 Ų9372.7 Ų72.737%0.36538%0.375SS..SBendtrans-126.1144.1-179.6-58.8-88.3000112.1T362 N386 S387 I388T362-Y384 HydrophobicContact CG2-CD1 4.32Å; T362-Y384 HydrophobicContact CG2-CE1 3.95Å; Y384-N386 WeakPolarHBondContact CB-OD1 3.19Å; Y384-S387 WeakPolarHBondContact O-CB 3.36Å; Y384-S387 PolarHBondContact O-N 2.8Å; Y384-I388 PolarHBondContact O-N 2.97Å
385Y88.6Confident88.5Confident130 Ų13071.4 Ų71.451%0.5136%0.364SS..Hα-helixtrans-64.6-45-178.6178.9-104.7000112.8Y373 S387 I388 Q389Y373-Y385 AromaticContact CD1-CD2 3.91Å; Y373-Y385 HydrophobicContact CD1-CD2 3.91Å; Y373-Y385 AromaticContact CE1-CD2 3.77Å; Y373-Y385 HydrophobicContact CE1-CD2 3.77Å; Y373-Y385 HydrophobicContact CE1-CG 4.26Å; Y373-Y385 VanDerWaalsContact CE2-N 3.31Å; Y385-S387 PolarHBondContact O-N 2.91Å; Y385-I388 HydrophobicContact CD2-CG2 4.27Å; Y385-I388 WeakPolarHBondContact O-CG2 3.36Å; Y385-I388 PolarHBondContact O-N 3.49Å; Y385-Q389 HydrophobicContact CD1-CG 4.07Å; Y385-Q389 HydrophobicContact CE1-CG 3.68Å; Y385-Q389 HydrophobicContact CE2-CG 4.25Å; Y385-Q389 WeakPolarHBondContact O-CG 3.43Å; Y385-Q389 PolarHBondContact O-N 3.3Å; Y385-Q389 PolarHBondContact OH-NE2 2.79Å
386N87.1Confident88.4Confident104 Ų10475.2 Ų75.256%0.55639%0.387SS*.Hα-helixtrans-61.3-31.2176.861.6-20.4000112.7Y384 Q389 T390Y384-N386 WeakPolarHBondContact CB-OD1 3.19Å; N386-Q389 PolarHBondContact O-N 3.21Å; N386-T390 WeakPolarHBondContact O-CG2 3.48Å; N386-T390 PolarHBondContact O-N 2.88Å; N386-T390 PolarHBondContact O-OG1 3.32Å
387S90.4Very high88.2Confident41 Ų4167.2 Ų67.229%0.28737%0.366SS..Hα-helixtrans-66.7-41.8175-55.60000112.2Y384 Y385 T390 H391Y384-S387 WeakPolarHBondContact O-CB 3.36Å; Y384-S387 PolarHBondContact O-N 2.8Å; Y385-S387 PolarHBondContact O-N 2.91Å; S387-T390 PolarHBondContact O-OG1 2.99Å; S387-T390 VanDerWaalsContact O-OG1 3.05Å; S387-H391 WeakPolarHBondContact O-CB 3.44Å; S387-H391 PolarHBondContact O-N 3.28Å
388I89.6Confident88.3Confident9 Ų965.8 Ų65.85%0.04636%0.359CS..Hα-helixtrans-67.6-38.7173.9-174.5165.1000111.5Y373 V374 C375 F382 Y384 Y385 H391 K392Y373-I388 HydrophobicContact CD1-CG2 4.38Å; Y373-I388 HydrophobicContact CG-CG2 4.14Å; V374-I388 VanDerWaalsContact O-CD1 3.28Å; V374-I388 WeakPolarHBondContact O-CD1 3.39Å; C375-I388 HydrophobicContact CB-CD1 4.27Å; F382-I388 HydrophobicContact CB-CB 4.33Å; F382-I388 HydrophobicContact CD2-CB 3.84Å; F382-I388 HydrophobicContact CD2-CG1 4.13Å; F382-I388 HydrophobicContact CG-CB 4.25Å; Y384-I388 PolarHBondContact O-N 2.97Å; Y385-I388 HydrophobicContact CD2-CG2 4.27Å; Y385-I388 WeakPolarHBondContact O-CG2 3.36Å; Y385-I388 PolarHBondContact O-N 3.49Å; I388-H391 CarbonylContact O-C 3.35Å; I388-H391 WeakPolarHBondContact O-CB 3.33Å; I388-H391 PolarHBondContact O-N 3.09Å; I388-H391 VanDerWaalsContact O-N 3.16Å; I388-K392 HydrophobicContact CG1-CG 4.4Å; I388-K392 WeakPolarHBondContact O-CG 3.4Å; I388-K392 PolarHBondContact O-N 3.49Å
389Q89.7Confident88.5Confident62 Ų6268.8 Ų68.829%0.2937%0.366SS..Hα-helixtrans-63.8-45.1179.8-66.9-57.8-25.100111.8Y385 N386 H391 K392Y385-Q389 HydrophobicContact CD1-CG 4.07Å; Y385-Q389 HydrophobicContact CE1-CG 3.68Å; Y385-Q389 HydrophobicContact CE2-CG 4.25Å; Y385-Q389 WeakPolarHBondContact O-CG 3.43Å; Y385-Q389 PolarHBondContact O-N 3.3Å; Y385-Q389 PolarHBondContact OH-NE2 2.79Å; N386-Q389 PolarHBondContact O-N 3.21Å; Q389-H391 VanDerWaalsContact C-N 3.3Å; Q389-H391 PolarHBondContact O-N 3.2Å; Q389-K392 PolarHBondContact O-N 3.34Å
390T88.6Confident88.6Confident51 Ų5169.9 Ų69.931%0.31336%0.363SS..Hα-helixtrans-67.1-31.4173.451.40000112.4N386 S387 R393 T412N386-T390 WeakPolarHBondContact O-CG2 3.48Å; N386-T390 PolarHBondContact O-N 2.88Å; N386-T390 PolarHBondContact O-OG1 3.32Å; S387-T390 PolarHBondContact O-OG1 2.99Å; S387-T390 VanDerWaalsContact O-OG1 3.05Å; T390-R393 WeakPolarHBondContact O-CB 3.29Å; T390-T412 HydrophobicContact CG2-CG2 4.02Å
391H89.3Confident88.8Confident22 Ų2267.5 Ų67.510%0.10235%0.352CS..Hα-helixtrans-68.4-39.5173.1164.569.1000113.1C375 C378 F382 S387 I388 Q389 R393 C394 H395C375-H391 WeakPolarHBondContact CB-NE2 3.32Å; C375-H391 PolarHBondContact SG-NE2 3.08Å; C378-H391 VanDerWaalsContact SG-CE1 3.54Å; C378-H391 PolarHBondContact SG-NE2 3.1Å; F382-H391 HydrophobicContact CE1-CB 3.95Å; F382-H391 HydrophobicContact CE2-CB 3.81Å; F382-H391 AromaticContact CE2-CD2 3.27Å; F382-H391 WeakPolarHBondContact CE2-CD2 3.47Å; F382-H391 AromaticContact CE2-CG 3.44Å; F382-H391 VanDerWaalsContact CE2-CG 3.44Å; F382-H391 AromaticContact CE2-NE2 3.85Å; F382-H391 HydrophobicContact CZ-CB 3.42Å; F382-H391 VanDerWaalsContact CZ-CB 3.42Å; F382-H391 AromaticContact CZ-CD2 3.52Å; F382-H391 AromaticContact CZ-CG 3.17Å; F382-H391 AromaticContact CZ-ND1 3.57Å; S387-H391 WeakPolarHBondContact O-CB 3.44Å; S387-H391 PolarHBondContact O-N 3.28Å; I388-H391 CarbonylContact O-C 3.35Å; I388-H391 WeakPolarHBondContact O-CB 3.33Å; I388-H391 PolarHBondContact O-N 3.09Å; I388-H391 VanDerWaalsContact O-N 3.16Å; Q389-H391 VanDerWaalsContact C-N 3.3Å; Q389-H391 PolarHBondContact O-N 3.2Å; H391-R393 PolarHBondContact O-N 3.44Å; H391-R393 VanDerWaalsContact O-N 3.1Å; H391-C394 PolarHBondContact CE1-SG 2.74Å; H391-C394 PolarHBondContact ND1-SG 3.06Å; H391-C394 VanDerWaalsContact ND1-SG 3.42Å; H391-C394 VanDerWaalsContact O-CB 3.26Å; H391-C394 WeakPolarHBondContact O-CB 3.47Å; H391-C394 PolarHBondContact O-N 3.42Å; H391-C394 PolarHBondContact O-SG 3.06Å; H391-H395 AromaticContact CE1-NE2 3.65Å; H391-H395 AromaticContact NE2-NE2 3.34Å; H391-H395 PolarHBondContact NE2-NE2 3.35Å
392K87.8Confident88.8Confident93 Ų9369.5 Ų69.540%0.40436%0.36SS..Hα-helixtrans-55.3-31.1177.8-76.5179.4178.8-176.30112.4I388 Q389 C394 H395 T396I388-K392 HydrophobicContact CG1-CG 4.4Å; I388-K392 WeakPolarHBondContact O-CG 3.4Å; I388-K392 PolarHBondContact O-N 3.49Å; Q389-K392 PolarHBondContact O-N 3.34Å; K392-C394 PolarHBondContact O-N 2.83Å; K392-C394 VanDerWaalsContact O-N 3.15Å; K392-H395 WeakPolarHBondContact O-CB 3.38Å; K392-H395 PolarHBondContact O-N 2.81Å; K392-T396 PolarHBondContact O-N 3.06Å
393R90.2Very high89Confident62 Ų6267.4 Ų67.423%0.23435%0.351CS..Hα-helixtrans-59.6-22172.7-61.2-179.8-178.1165.3-0.7114T390 H391 H395 T396 G397 E398 T411T390-R393 WeakPolarHBondContact O-CB 3.29Å; H391-R393 PolarHBondContact O-N 3.44Å; H391-R393 VanDerWaalsContact O-N 3.1Å; R393-H395 VanDerWaalsContact C-N 3.26Å; R393-H395 PolarHBondContact O-N 3.49Å; R393-T396 WeakPolarHBondContact CA-OG1 3.33Å; R393-G397 CarbonylContact O-C 3.51Å; R393-G397 WeakPolarHBondContact O-CA 3.4Å; R393-G397 PolarHBondContact O-N 3.11Å; R393-E398 HydrophobicContact CB-CB 4.49Å; R393-E398 HydrophobicContact CG-CB 4.45Å; R393-E398 PolarHBondContact O-N 3.27Å; R393-T411 HydrophobicContact CB-CG2 4.19Å; R393-T411 PolarHBondContact NH1-O 2.88Å
394C85.9Confident89Confident77 Ų7775.7 Ų75.752%0.5238%0.384SS..Hα-helixtrans-71.5-22.817486.40000112.9H391 K392H391-C394 PolarHBondContact CE1-SG 2.74Å; H391-C394 PolarHBondContact ND1-SG 3.06Å; H391-C394 VanDerWaalsContact ND1-SG 3.42Å; H391-C394 VanDerWaalsContact O-CB 3.26Å; H391-C394 WeakPolarHBondContact O-CB 3.47Å; H391-C394 PolarHBondContact O-N 3.42Å; H391-C394 PolarHBondContact O-SG 3.06Å; K392-C394 PolarHBondContact O-N 2.83Å; K392-C394 VanDerWaalsContact O-N 3.15Å
395H87.1Confident88.9Confident55 Ų5577.4 Ų77.426%0.25540%0.398SS..Hα-helixtrans-87.2-42.7176.2-65.8-53.7000112.3C375 Q377 C378 H391 K392 R393 G397C375-H395 VanDerWaalsContact SG-CD2 3.56Å; C375-H395 PolarHBondContact SG-NE2 2.79Å; Q377-H395 VanDerWaalsContact CD-CG 3.42Å; C378-H395 PolarHBondContact SG-NE2 3.03Å; H391-H395 AromaticContact CE1-NE2 3.65Å; H391-H395 AromaticContact NE2-NE2 3.34Å; H391-H395 PolarHBondContact NE2-NE2 3.35Å; K392-H395 WeakPolarHBondContact O-CB 3.38Å; K392-H395 PolarHBondContact O-N 2.81Å; R393-H395 VanDerWaalsContact C-N 3.26Å; R393-H395 PolarHBondContact O-N 3.49Å; H395-G397 VanDerWaalsContact C-N 3.25Å; H395-G397 PolarHBondContact O-N 3.22Å
396T88.3Confident89Confident84 Ų8473.5 Ų73.552%0.51539%0.389SS..Hα-helixtrans-75.3-19.3177.1610000112.2K392 R393 E398K392-T396 PolarHBondContact O-N 3.06Å; R393-T396 WeakPolarHBondContact CA-OG1 3.33Å; T396-E398 PolarHBondContact O-N 3.25Å; T396-E398 WeakPolarHBondContact OG1-CB 3.4Å; T396-E398 WeakPolarHBondContact OG1-CG 3.11Å; T396-E398 PolarHBondContact OG1-N 3Å
397G84.2Confident89Confident48 Ų4876.5 Ų76.550%0.49540%0.4SS..  trans75.20.2-173.100000113.5R393 H395 K399R393-G397 CarbonylContact O-C 3.51Å; R393-G397 WeakPolarHBondContact O-CA 3.4Å; R393-G397 PolarHBondContact O-N 3.11Å; H395-G397 VanDerWaalsContact C-N 3.25Å; H395-G397 PolarHBondContact O-N 3.22Å; G397-K399 PolarHBondContact O-N 3.13Å
398E88.2Confident89Confident111 Ų11180.5 Ų80.552%0.51941%0.412SS..  trans-58.4124.7-178.8-76.9173.1-159.500111.9R393 T396R393-E398 HydrophobicContact CB-CB 4.49Å; R393-E398 HydrophobicContact CG-CB 4.45Å; R393-E398 PolarHBondContact O-N 3.27Å; T396-E398 PolarHBondContact O-N 3.25Å; T396-E398 WeakPolarHBondContact OG1-CB 3.4Å; T396-E398 WeakPolarHBondContact OG1-CG 3.11Å; T396-E398 PolarHBondContact OG1-N 3Å
399K90.7Very high89.1Confident115 Ų11581.5 Ų81.550%0.542%0.422SS..  trans-130.577.9178.2-73.9164.8168.3-169.50109.4G397 Y401 A409 F410 T411G397-K399 PolarHBondContact O-N 3.13Å; K399-Y401 PolarHBondContact O-N 3.44Å; K399-Y401 VanDerWaalsContact O-N 3.1Å; K399-A409 HydrophobicContact CB-CB 3.41Å; K399-A409 VanDerWaalsContact CB-CB 3.41Å; K399-A409 HydrophobicContact CD-CB 4.06Å; K399-A409 WeakPolarHBondContact CD-O 3.41Å; K399-A409 HydrophobicContact CG-CB 4.35Å; K399-F410 CarbonylContact C-O 3.58Å; K399-F410 VanDerWaalsContact C-O 3.28Å; K399-F410 VanDerWaalsContact CA-O 3.3Å; K399-F410 WeakPolarHBondContact CA-O 3.2Å; K399-T411 HydrophobicContact CG-CG2 3.93Å
400P90Very high89.2Confident76 Ų7680.5 Ų80.549%0.49442%0.417SS..  trans-64.1-19.6-172-23.234.6000114.5
401Y92.9Very high89.2Confident76 Ų7680.1 Ų80.130%0.29841%0.414SS..EExtended strand (participates in β ladder)trans-101.398-173.3-54.6-77000110.4K399 A409 F410 L413K399-Y401 PolarHBondContact O-N 3.44Å; K399-Y401 VanDerWaalsContact O-N 3.1Å; Y401-A409 CarbonylContact O-C 3.5Å; Y401-A409 WeakPolarHBondContact O-CA 3.47Å; Y401-F410 WeakPolarHBondContact CD2-O 3.3Å; Y401-F410 PolarHBondContact N-O 3.34Å; Y401-F410 PolarHBondContact O-N 2.99Å; Y401-L413 HydrophobicContact CD1-CB 3.99Å; Y401-L413 HydrophobicContact CD1-CD1 3.94Å; Y401-L413 HydrophobicContact CE1-CB 3.79Å; Y401-L413 HydrophobicContact CE1-CD1 4.27Å; Y401-L413 HydrophobicContact CE2-CB 4.49Å; Y401-L413 HydrophobicContact CG-CB 4.42Å
402V91.2Very high89.2Confident76 Ų7680.8 Ų80.846%0.46142%0.42SS..EExtended strand (participates in β ladder)trans-96133.7-178.2-174.50000110.7K404 A409V402-K404 PolarHBondContact O-N 2.75Å; V402-A409 HydrophobicContact CG2-CB 3.97Å
403C93Very high89.4Confident1 Ų179.7 Ų79.71%0.00742%0.418CS..  trans-74.9121.1170.7-177.20000110L405 E407 K408 F410 L416C403-L405 PolarHBondContact O-N 2.96Å; C403-E407 WeakPolarHBondContact O-CA 3.42Å; C403-E407 PolarHBondContact O-N 3.21Å; C403-K408 WeakPolarHBondContact CB-O 3.25Å; C403-K408 PolarHBondContact N-O 3.07Å; C403-F410 HydrophobicContact CB-CE2 4.4Å; C403-L416 HydrophobicContact CB-CD1 3.61Å
404K88.9Confident89.3Confident204 Ų20481.1 Ų81.189%0.88744%0.438SS*.THydrogen-bonded Turntrans-65.1-19.9179.8-62.5-176177.5-174.90114V402V402-K404 PolarHBondContact O-N 2.75Å
405L85.5Confident89.6Confident129 Ų12979.8 Ų79.868%0.67543%0.429SS*.THydrogen-bonded Turntrans-94.8-22.5-174.8-64.6175.7000114.5C403 H423C403-L405 PolarHBondContact O-N 2.96Å; L405-H423 HydrophobicContact CD1-CB 3.52Å
406C90.4Very high89.8Confident47 Ų4777.8 Ų77.832%0.31842%0.421SS..THydrogen-bonded Turntrans-140.911.8177.671.60000114.4K408 H419 H423C406-K408 PolarHBondContact O-N 3.33Å; C406-K408 VanDerWaalsContact SG-CG 3.54Å; C406-H419 VanDerWaalsContact SG-CE1 3.52Å; C406-H419 PolarHBondContact SG-NE2 3.1Å; C406-H423 PolarHBondContact SG-NE2 3.22Å
407E87.5Confident89.9Confident167 Ų16779.2 Ų79.278%0.7842%0.416SS*.  trans59.38.3177.2-58.8172.8-173.300114.6C403 A409C403-E407 WeakPolarHBondContact O-CA 3.42Å; C403-E407 PolarHBondContact O-N 3.21Å; E407-A409 PolarHBondContact O-N 3.41Å
408K90Very high90.2Very high125 Ų12581.2 Ų81.254%0.54341%0.41SS..  trans-68.7125.9176.9-72.8-173.4-175.3-169.10110.3C403 C406 F410C403-K408 WeakPolarHBondContact CB-O 3.25Å; C403-K408 PolarHBondContact N-O 3.07Å; C406-K408 PolarHBondContact O-N 3.33Å; C406-K408 VanDerWaalsContact SG-CG 3.54Å; K408-F410 HydrophobicContact CB-CE2 3.88Å; K408-F410 HydrophobicContact CB-CZ 4.03Å; K408-F410 WeakPolarHBondContact O-CD2 3.49Å; K408-F410 WeakPolarHBondContact O-CE2 3.18Å
409A91.4Very high90.3Very high30 Ų3076.7 Ų76.725%0.24839%0.388CS..EExtended strand (participates in β ladder)trans-97.1142.1179.900000112.2K399 Y401 V402 E407K399-A409 HydrophobicContact CB-CB 3.41Å; K399-A409 VanDerWaalsContact CB-CB 3.41Å; K399-A409 HydrophobicContact CD-CB 4.06Å; K399-A409 WeakPolarHBondContact CD-O 3.41Å; K399-A409 HydrophobicContact CG-CB 4.35Å; Y401-A409 CarbonylContact O-C 3.5Å; Y401-A409 WeakPolarHBondContact O-CA 3.47Å; V402-A409 HydrophobicContact CG2-CB 3.97Å; E407-A409 PolarHBondContact O-N 3.41Å
410F91.6Very high90.2Very high42 Ų4275 Ų7518%0.18438%0.382CS..EExtended strand (participates in β ladder)trans-126.7151.6-178.3-59.9-89000111.9K399 Y401 C403 K408 L416 H419K399-F410 CarbonylContact C-O 3.58Å; K399-F410 VanDerWaalsContact C-O 3.28Å; K399-F410 VanDerWaalsContact CA-O 3.3Å; K399-F410 WeakPolarHBondContact CA-O 3.2Å; Y401-F410 WeakPolarHBondContact CD2-O 3.3Å; Y401-F410 PolarHBondContact N-O 3.34Å; Y401-F410 PolarHBondContact O-N 2.99Å; C403-F410 HydrophobicContact CB-CE2 4.4Å; K408-F410 HydrophobicContact CB-CE2 3.88Å; K408-F410 HydrophobicContact CB-CZ 4.03Å; K408-F410 WeakPolarHBondContact O-CD2 3.49Å; K408-F410 WeakPolarHBondContact O-CE2 3.18Å; F410-L416 HydrophobicContact CB-CB 4.29Å; F410-L416 HydrophobicContact CD2-CB 3.9Å; F410-L416 HydrophobicContact CD2-CD1 3.75Å; F410-L416 HydrophobicContact CD2-CG 4.44Å; F410-L416 HydrophobicContact CE2-CD1 3.94Å; F410-L416 HydrophobicContact CG-CB 4.26Å; F410-H419 HydrophobicContact CE1-CB 3.8Å; F410-H419 HydrophobicContact CE2-CB 3.8Å; F410-H419 AromaticContact CE2-CD2 3.28Å; F410-H419 WeakPolarHBondContact CE2-CD2 3.35Å; F410-H419 AromaticContact CE2-CG 3.52Å; F410-H419 AromaticContact CE2-NE2 3.93Å; F410-H419 HydrophobicContact CZ-CB 3.33Å; F410-H419 AromaticContact CZ-CD2 3.39Å; F410-H419 WeakPolarHBondContact CZ-CD2 3.46Å; F410-H419 AromaticContact CZ-CG 3.11Å; F410-H419 AromaticContact CZ-ND1 3.6Å; F410-H419 AromaticContact CZ-NE2 3.94Å
411T89.9Confident90.2Very high43 Ų4375 Ų7526%0.26437%0.373SS..SBendtrans-79.2-16.8179.754.90000113.5R393 K399R393-T411 HydrophobicContact CB-CG2 4.19Å; R393-T411 PolarHBondContact NH1-O 2.88Å; K399-T411 HydrophobicContact CG-CG2 3.93Å
412T89.4Confident90Very high36 Ų3676.6 Ų76.622%0.22139%0.385CS..SBendtrans-141144.6-17863.80000110.9T390 S414 S415 L416T390-T412 HydrophobicContact CG2-CG2 4.02Å; T412-S414 VanDerWaalsContact C-N 3.32Å; T412-S414 PolarHBondContact O-N 2.81Å; T412-S415 WeakPolarHBondContact O-CB 3.42Å; T412-S415 PolarHBondContact O-N 2.92Å; T412-S415 VanDerWaalsContact O-N 3.12Å; T412-S415 VanDerWaalsContact OG1-CB 3.29Å; T412-S415 WeakPolarHBondContact OG1-CB 3.45Å; T412-S415 PolarHBondContact OG1-N 3.48Å; T412-S415 PolarHBondContact OG1-OG 3.14Å; T412-L416 PolarHBondContact O-N 2.94Å
413L91Very high89.9Confident69 Ų6976.6 Ų76.636%0.36138%0.38SS..Hα-helixtrans-58.6-40177.6-177.660.1000112.8Y401 S415 L416 R417Y401-L413 HydrophobicContact CD1-CB 3.99Å; Y401-L413 HydrophobicContact CD1-CD1 3.94Å; Y401-L413 HydrophobicContact CE1-CB 3.79Å; Y401-L413 HydrophobicContact CE1-CD1 4.27Å; Y401-L413 HydrophobicContact CE2-CB 4.49Å; Y401-L413 HydrophobicContact CG-CB 4.42Å; L413-S415 VanDerWaalsContact C-N 3.26Å; L413-S415 PolarHBondContact O-N 3.32Å; L413-L416 HydrophobicContact CD1-CD2 4.43Å; L413-L416 PolarHBondContact O-N 2.87Å; L413-R417 PolarHBondContact O-N 3.34Å
414S89.4Confident89.6Confident92 Ų9279.8 Ų79.864%0.64340%0.402SS*.Hα-helixtrans-61.6-34.4178.1-53.80000112.7T412 Y418T412-S414 VanDerWaalsContact C-N 3.32Å; T412-S414 PolarHBondContact O-N 2.81Å; S414-Y418 WeakPolarHBondContact O-CB 3.38Å; S414-Y418 PolarHBondContact O-N 3.09Å
415S91.3Very high89.4Confident50 Ų5072.3 Ų72.335%0.3538%0.383SS..Hα-helixtrans-71.2-38.6176-63.30000111.9T412 L413 Y418 H419T412-S415 WeakPolarHBondContact O-CB 3.42Å; T412-S415 PolarHBondContact O-N 2.92Å; T412-S415 VanDerWaalsContact O-N 3.12Å; T412-S415 VanDerWaalsContact OG1-CB 3.29Å; T412-S415 WeakPolarHBondContact OG1-CB 3.45Å; T412-S415 PolarHBondContact OG1-N 3.48Å; T412-S415 PolarHBondContact OG1-OG 3.14Å; L413-S415 VanDerWaalsContact C-N 3.26Å; L413-S415 PolarHBondContact O-N 3.32Å; S415-Y418 PolarHBondContact O-N 3.18Å; S415-H419 WeakPolarHBondContact O-CB 3.24Å; S415-H419 PolarHBondContact O-N 3.46Å
416L92Very high89.5Confident13 Ų1371.8 Ų71.87%0.06838%0.377CS..Hα-helixtrans-61.3-50.9171.9171.862.1000110.6C403 F410 T412 L413 Y418 H419 E420C403-L416 HydrophobicContact CB-CD1 3.61Å; F410-L416 HydrophobicContact CB-CB 4.29Å; F410-L416 HydrophobicContact CD2-CB 3.9Å; F410-L416 HydrophobicContact CD2-CD1 3.75Å; F410-L416 HydrophobicContact CD2-CG 4.44Å; F410-L416 HydrophobicContact CE2-CD1 3.94Å; F410-L416 HydrophobicContact CG-CB 4.26Å; T412-L416 PolarHBondContact O-N 2.94Å; L413-L416 HydrophobicContact CD1-CD2 4.43Å; L413-L416 PolarHBondContact O-N 2.87Å; L416-Y418 VanDerWaalsContact C-N 3.29Å; L416-Y418 PolarHBondContact O-N 3.48Å; L416-H419 CarbonylContact O-C 3.58Å; L416-H419 WeakPolarHBondContact O-CA 3.28Å; L416-H419 VanDerWaalsContact O-CB 3.32Å; L416-H419 WeakPolarHBondContact O-CB 3.44Å; L416-H419 PolarHBondContact O-N 3.08Å; L416-E420 HydrophobicContact CD1-CG 4.07Å; L416-E420 HydrophobicContact CG-CG 4.35Å; L416-E420 WeakPolarHBondContact O-CG 3.48Å; L416-E420 PolarHBondContact O-N 3.48Å
417R89.6Confident89.4Confident113 Ų11375.4 Ų75.443%0.42639%0.387SS..Hα-helixtrans-57.7-40.4178.1-73.4-179.5174.6178.8-1.9113L413 H419 E420L413-R417 PolarHBondContact O-N 3.34Å; R417-H419 VanDerWaalsContact C-N 3.33Å; R417-E420 PolarHBondContact O-N 2.74Å
418Y90Very high89.5Confident91 Ų9171 Ų7136%0.35737%0.373SS..Hα-helixtrans-65.7-38.5174.3173.8-100.7000111.9S414 S415 L416 R421 N439S414-Y418 WeakPolarHBondContact O-CB 3.38Å; S414-Y418 PolarHBondContact O-N 3.09Å; S415-Y418 PolarHBondContact O-N 3.18Å; L416-Y418 VanDerWaalsContact C-N 3.29Å; L416-Y418 PolarHBondContact O-N 3.48Å; Y418-R421 WeakPolarHBondContact O-CB 3.28Å; Y418-R421 PolarHBondContact O-N 3.33Å; Y418-N439 HydrophobicContact CE2-CB 3.97Å; Y418-N439 WeakPolarHBondContact CE2-O 3.24Å; Y418-N439 VanDerWaalsContact OH-CG 3.24Å; Y418-N439 PolarHBondContact OH-ND2 2.96Å; Y418-N439 PolarHBondContact OH-OD1 3.44Å
419H89.8Confident89.6Confident15 Ų1567 Ų677%0.06936%0.356CS..Hα-helixtrans-67.5-38.8175.8165.172.1000112.8C406 F410 S415 L416 R417 R421 I422 H423C406-H419 VanDerWaalsContact SG-CE1 3.52Å; C406-H419 PolarHBondContact SG-NE2 3.1Å; F410-H419 HydrophobicContact CE1-CB 3.8Å; F410-H419 HydrophobicContact CE2-CB 3.8Å; F410-H419 AromaticContact CE2-CD2 3.28Å; F410-H419 WeakPolarHBondContact CE2-CD2 3.35Å; F410-H419 AromaticContact CE2-CG 3.52Å; F410-H419 AromaticContact CE2-NE2 3.93Å; F410-H419 HydrophobicContact CZ-CB 3.33Å; F410-H419 AromaticContact CZ-CD2 3.39Å; F410-H419 WeakPolarHBondContact CZ-CD2 3.46Å; F410-H419 AromaticContact CZ-CG 3.11Å; F410-H419 AromaticContact CZ-ND1 3.6Å; F410-H419 AromaticContact CZ-NE2 3.94Å; S415-H419 WeakPolarHBondContact O-CB 3.24Å; S415-H419 PolarHBondContact O-N 3.46Å; L416-H419 CarbonylContact O-C 3.58Å; L416-H419 WeakPolarHBondContact O-CA 3.28Å; L416-H419 VanDerWaalsContact O-CB 3.32Å; L416-H419 WeakPolarHBondContact O-CB 3.44Å; L416-H419 PolarHBondContact O-N 3.08Å; R417-H419 VanDerWaalsContact C-N 3.33Å; H419-R421 PolarHBondContact O-N 3.32Å; H419-R421 VanDerWaalsContact O-N 3.13Å; H419-I422 WeakPolarHBondContact O-CB 3.48Å; H419-I422 WeakPolarHBondContact O-CG1 3.41Å; H419-I422 PolarHBondContact O-N 3.47Å; H419-H423 AromaticContact CE1-NE2 3.7Å; H419-H423 AromaticContact NE2-CD2 3.86Å; H419-H423 AromaticContact NE2-NE2 3.38Å; H419-H423 PolarHBondContact NE2-NE2 3.41Å
420E89.9Confident89.5Confident80 Ų8069 Ų6937%0.37437%0.365SS..Hα-helixtrans-58-26.9177.1-73.7172156.300112.5L416 R417 I422 H423 S424L416-E420 HydrophobicContact CD1-CG 4.07Å; L416-E420 HydrophobicContact CG-CG 4.35Å; L416-E420 WeakPolarHBondContact O-CG 3.48Å; L416-E420 PolarHBondContact O-N 3.48Å; R417-E420 PolarHBondContact O-N 2.74Å; E420-I422 PolarHBondContact O-N 2.91Å; E420-I422 VanDerWaalsContact O-N 3.15Å; E420-H423 WeakPolarHBondContact O-CB 3.27Å; E420-H423 PolarHBondContact O-N 3.48Å; E420-S424 PolarHBondContact O-N 3.38Å; E420-S424 PolarHBondContact O-OG 3.27Å
421R90.6Very high89.6Confident77 Ų7767 Ų6729%0.29136%0.357SS..Hα-helixtrans-60.4-22.2171.8-61.2177.9-176.2179.4-2.5113.8Y418 H419 H423 S424 G425 E426 N439Y418-R421 WeakPolarHBondContact O-CB 3.28Å; Y418-R421 PolarHBondContact O-N 3.33Å; H419-R421 PolarHBondContact O-N 3.32Å; H419-R421 VanDerWaalsContact O-N 3.13Å; R421-H423 VanDerWaalsContact C-N 3.33Å; R421-S424 WeakPolarHBondContact CA-OG 3.42Å; R421-G425 WeakPolarHBondContact O-CA 3.27Å; R421-G425 PolarHBondContact O-N 3.14Å; R421-E426 PolarHBondContact O-N 2.94Å; R421-N439 PolarHBondContact NH1-O 3.46Å
422I87.3Confident89.6Confident109 Ų10972.9 Ų72.956%0.55939%0.386SS*.Hα-helixtrans-71.3-34.5174.7-59.1169.5000110H419 E420H419-I422 WeakPolarHBondContact O-CB 3.48Å; H419-I422 WeakPolarHBondContact O-CG1 3.41Å; H419-I422 PolarHBondContact O-N 3.47Å; E420-I422 PolarHBondContact O-N 2.91Å; E420-I422 VanDerWaalsContact O-N 3.15Å
423H88.5Confident89.4Confident76 Ų7678.6 Ų78.635%0.35241%0.41SS..Hα-helixtrans-79.7-45177.3-66.8-64.3000112.2L405 C406 H419 E420 R421 G425L405-H423 HydrophobicContact CD1-CB 3.52Å; C406-H423 PolarHBondContact SG-NE2 3.22Å; H419-H423 AromaticContact CE1-NE2 3.7Å; H419-H423 AromaticContact NE2-CD2 3.86Å; H419-H423 AromaticContact NE2-NE2 3.38Å; H419-H423 PolarHBondContact NE2-NE2 3.41Å; E420-H423 WeakPolarHBondContact O-CB 3.27Å; E420-H423 PolarHBondContact O-N 3.48Å; R421-H423 VanDerWaalsContact C-N 3.33Å; H423-G425 PolarHBondContact O-N 3.08Å
424S88Confident89.4Confident68 Ų6877.8 Ų77.848%0.47641%0.409SS..Hα-helixtrans-73-16.1178650000113.1E420 R421 E426E420-S424 PolarHBondContact O-N 3.38Å; E420-S424 PolarHBondContact O-OG 3.27Å; R421-S424 WeakPolarHBondContact CA-OG 3.42Å; S424-E426 PolarHBondContact O-N 3.22Å; S424-E426 VanDerWaalsContact O-N 3.15Å; S424-E426 WeakPolarHBondContact OG-CB 3.39Å; S424-E426 WeakPolarHBondContact OG-CG 3.4Å; S424-E426 PolarHBondContact OG-N 3.49Å
425G84.5Confident89.4Confident47 Ų4776 Ų7649%0.48541%0.405SS..  trans69.52.6-173.100000113.6R421 H423 K427R421-G425 WeakPolarHBondContact O-CA 3.27Å; R421-G425 PolarHBondContact O-N 3.14Å; H423-G425 PolarHBondContact O-N 3.08Å; G425-K427 PolarHBondContact O-N 3.09Å
426E86.5Confident89.3Confident117 Ų11779.5 Ų79.555%0.54741%0.414SS..  trans-60.2127.5-178-76.6-179.1-171.800111.3R421 S424 P428R421-E426 PolarHBondContact O-N 2.94Å; S424-E426 PolarHBondContact O-N 3.22Å; S424-E426 VanDerWaalsContact O-N 3.15Å; S424-E426 WeakPolarHBondContact OG-CB 3.39Å; S424-E426 WeakPolarHBondContact OG-CG 3.4Å; S424-E426 PolarHBondContact OG-N 3.49Å; E426-P428 WeakPolarHBondContact O-CD 3.47Å
427K90.2Very high89.2Confident123 Ų12379.8 Ų79.854%0.53542%0.42SS..  trans-126.975.8179-76.7163.9170.9-173.10109.7G425 H429 G437 F438G425-K427 PolarHBondContact O-N 3.09Å; K427-H429 PolarHBondContact O-N 3.18Å; K427-G437 VanDerWaalsContact CD-O 3.29Å; K427-G437 WeakPolarHBondContact CD-O 3.3Å; K427-F438 CarbonylContact C-O 3.48Å; K427-F438 VanDerWaalsContact C-O 3.3Å; K427-F438 WeakPolarHBondContact CA-O 3.4Å
428P88Confident89.3Confident74 Ų7476.3 Ų76.348%0.48141%0.408SS..  trans-62.9-18.6-172.4-22.934.3000114.2E426E426-P428 WeakPolarHBondContact O-CD 3.47Å
429H91.9Very high89.3Confident41 Ų4174 Ų7419%0.1940%0.402CS..EExtended strand (participates in β ladder)trans-104.294.1-176.4-56.9-73.8000109.8K427 G437 F438 S440 S441 L444K427-H429 PolarHBondContact O-N 3.18Å; H429-G437 CarbonylContact O-C 3.53Å; H429-F438 HydrophobicContact CB-CB 4.3Å; H429-F438 PolarHBondContact N-O 2.94Å; H429-F438 VanDerWaalsContact N-O 3.14Å; H429-F438 WeakPolarHBondContact O-CD2 3.27Å; H429-F438 PolarHBondContact O-N 3.05Å; H429-S440 VanDerWaalsContact CD2-CA 3.42Å; H429-S440 WeakPolarHBondContact CD2-CA 3.15Å; H429-S441 PolarHBondContact CD2-N 3.28Å; H429-S441 VanDerWaalsContact CD2-N 3.27Å; H429-S441 PolarHBondContact NE2-N 3.49Å; H429-L444 HydrophobicContact CB-CB 4.02Å; H429-L444 HydrophobicContact CB-CD2 3.85Å
430V91Very high89.2Confident73 Ų7374.4 Ų74.444%0.44241%0.406SS..EExtended strand (participates in β ladder)trans-96.8131.9-178.1-176.80000110.3L432 G435V430-L432 PolarHBondContact O-N 3.36Å; V430-G435 WeakPolarHBondContact CG1-O 3.34Å
431C92.5Very high89.3Confident1 Ų173.9 Ų73.91%0.00741%0.412CS..  trans-71.3118.7171.5-179.10000109.9Q433 C434 G435 K436 F438 L444 H451C431-Q433 PolarHBondContact O-N 3.44Å; C431-C434 PolarHBondContact O-N 3.15Å; C431-G435 VanDerWaalsContact O-CA 3.24Å; C431-G435 WeakPolarHBondContact O-CA 3.2Å; C431-G435 PolarHBondContact O-N 3.09Å; C431-K436 PolarHBondContact N-O 3.32Å; C431-F438 HydrophobicContact CB-CE2 4.27Å; C431-L444 HydrophobicContact CB-CD1 3.55Å; C431-H451 VanDerWaalsContact SG-CD2 3.54Å; C431-H451 PolarHBondContact SG-NE2 3.29Å
432L89.8Confident89.2Confident166 Ų16674 Ų7487%0.86942%0.424SS*.THydrogen-bonded Turntrans-65.9-25-179.5-61.2178.6000112.9V430V430-L432 PolarHBondContact O-N 3.36Å
433Q86.6Confident89.4Confident155 Ų15571.3 Ų71.372%0.72441%0.413SS*.THydrogen-bonded Turntrans-81.1-29.2-177.3-64.5-64.7-26.800113.7C431C431-Q433 PolarHBondContact O-N 3.44Å
434C90.7Very high89.6Confident52 Ų5268.6 Ų68.635%0.35140%0.401SS..THydrogen-bonded Turntrans-134.24.6-178.569.50000115.4C431 K436 H447 H451C431-C434 PolarHBondContact O-N 3.15Å; C434-K436 PolarHBondContact O-N 3.05Å; C434-K436 VanDerWaalsContact O-N 3.11Å; C434-K436 VanDerWaalsContact SG-CG 3.55Å; C434-H447 PolarHBondContact SG-NE2 2.97Å; C434-H451 PolarHBondContact SG-NE2 2.76Å
435G89Confident89.7Confident54 Ų5473.4 Ų73.456%0.55741%0.409SS*.  trans68.63.3-179.200000115V430 C431 G437V430-G435 WeakPolarHBondContact CG1-O 3.34Å; C431-G435 VanDerWaalsContact O-CA 3.24Å; C431-G435 WeakPolarHBondContact O-CA 3.2Å; C431-G435 PolarHBondContact O-N 3.09Å; G435-G437 PolarHBondContact O-N 3.47Å
436K90Very high90Very high125 Ų12574.3 Ų74.354%0.54340%0.402SS..  trans-70.4123.2-179.4-72.8-179.7-176.6175.30110.9C431 C434 F438C431-K436 PolarHBondContact N-O 3.32Å; C434-K436 PolarHBondContact O-N 3.05Å; C434-K436 VanDerWaalsContact O-N 3.11Å; C434-K436 VanDerWaalsContact SG-CG 3.55Å; K436-F438 HydrophobicContact CB-CE2 3.84Å; K436-F438 HydrophobicContact CB-CZ 4.04Å; K436-F438 WeakPolarHBondContact O-CD2 3.5Å; K436-F438 WeakPolarHBondContact O-CE2 3.16Å
437G89.2Confident90.2Very high18 Ų1869.9 Ų69.919%0.18638%0.381CS..EExtended strand (participates in β ladder)trans-84.2142.7174.100000113.9K427 H429 G435K427-G437 VanDerWaalsContact CD-O 3.29Å; K427-G437 WeakPolarHBondContact CD-O 3.3Å; H429-G437 CarbonylContact O-C 3.53Å; G435-G437 PolarHBondContact O-N 3.47Å
438F91.2Very high90.2Very high40 Ų4067.8 Ų67.818%0.17537%0.373CS..EExtended strand (participates in β ladder)trans-128150.5176.1-59.7-89.2000111.5K427 H429 C431 K436 L444 H447K427-F438 CarbonylContact C-O 3.48Å; K427-F438 VanDerWaalsContact C-O 3.3Å; K427-F438 WeakPolarHBondContact CA-O 3.4Å; H429-F438 HydrophobicContact CB-CB 4.3Å; H429-F438 PolarHBondContact N-O 2.94Å; H429-F438 VanDerWaalsContact N-O 3.14Å; H429-F438 WeakPolarHBondContact O-CD2 3.27Å; H429-F438 PolarHBondContact O-N 3.05Å; C431-F438 HydrophobicContact CB-CE2 4.27Å; K436-F438 HydrophobicContact CB-CE2 3.84Å; K436-F438 HydrophobicContact CB-CZ 4.04Å; K436-F438 WeakPolarHBondContact O-CD2 3.5Å; K436-F438 WeakPolarHBondContact O-CE2 3.16Å; F438-L444 HydrophobicContact CB-CB 4.17Å; F438-L444 HydrophobicContact CD2-CB 3.89Å; F438-L444 HydrophobicContact CD2-CD1 3.65Å; F438-L444 HydrophobicContact CD2-CG 4.37Å; F438-L444 HydrophobicContact CE2-CD1 3.86Å; F438-L444 HydrophobicContact CG-CB 4.16Å; F438-H447 HydrophobicContact CE1-CB 3.77Å; F438-H447 AromaticContact CE1-CG 3.97Å; F438-H447 HydrophobicContact CE2-CB 3.89Å; F438-H447 AromaticContact CE2-CD2 3.2Å; F438-H447 WeakPolarHBondContact CE2-CD2 3.45Å; F438-H447 AromaticContact CE2-CG 3.55Å; F438-H447 AromaticContact CE2-NE2 3.86Å; F438-H447 HydrophobicContact CZ-CB 3.37Å; F438-H447 AromaticContact CZ-CD2 3.27Å; F438-H447 WeakPolarHBondContact CZ-CD2 3.46Å; F438-H447 AromaticContact CZ-CG 3.1Å; F438-H447 AromaticContact CZ-ND1 3.67Å; F438-H447 AromaticContact CZ-NE2 3.85Å
439N90Very high90.4Very high44 Ų4466 Ų6624%0.23536%0.356CS..SBendtrans-80.5-13.1179.158.72.6000113.8Y418 R421 T443Y418-N439 HydrophobicContact CE2-CB 3.97Å; Y418-N439 WeakPolarHBondContact CE2-O 3.24Å; Y418-N439 VanDerWaalsContact OH-CG 3.24Å; Y418-N439 PolarHBondContact OH-ND2 2.96Å; Y418-N439 PolarHBondContact OH-OD1 3.44Å; R421-N439 PolarHBondContact NH1-O 3.46Å; N439-T443 PolarHBondContact OD1-OG1 2.76Å
440S88Confident90.3Very high22 Ų2268.2 Ų68.215%0.15437%0.373CS..SBendtrans-140.7151176.881.10000111.5H429 S442 T443 L444H429-S440 VanDerWaalsContact CD2-CA 3.42Å; H429-S440 WeakPolarHBondContact CD2-CA 3.15Å; S440-S442 VanDerWaalsContact C-N 3.31Å; S440-S442 PolarHBondContact O-N 3.41Å; S440-T443 PolarHBondContact N-OG1 3.45Å; S440-T443 PolarHBondContact O-N 3.12Å; S440-T443 PolarHBondContact O-OG1 3.02Å; S440-T443 WeakPolarHBondContact OG-CB 3.24Å; S440-T443 WeakPolarHBondContact OG-CG2 3.48Å; S440-T443 PolarHBondContact OG-N 3.18Å; S440-T443 VanDerWaalsContact OG-N 3.1Å; S440-T443 PolarHBondContact OG-OG1 2.83Å; S440-L444 PolarHBondContact O-N 3.38Å
441S91.5Very high90.3Very high70 Ų7068.9 Ų68.949%0.4937%0.371SS..Hα-helixtrans-64.7-35.9175.4530000112.3H429 T443 L444 R445H429-S441 PolarHBondContact CD2-N 3.28Å; H429-S441 VanDerWaalsContact CD2-N 3.27Å; H429-S441 PolarHBondContact NE2-N 3.49Å; S441-T443 PolarHBondContact O-N 3.05Å; S441-L444 PolarHBondContact O-N 3.41Å; S441-R445 PolarHBondContact O-N 3.35Å
442S89.3Confident90.2Very high79 Ų7973 Ų7355%0.55240%0.397SS*.Hα-helixtrans-64.2-38.6178.1-55.40000112.4S440 R445 I446S440-S442 VanDerWaalsContact C-N 3.31Å; S440-S442 PolarHBondContact O-N 3.41Å; S442-R445 PolarHBondContact O-N 3.02Å; S442-I446 WeakPolarHBondContact O-CG1 3.41Å; S442-I446 PolarHBondContact O-N 3.36Å; S442-I446 VanDerWaalsContact O-N 3.09Å
443T91.1Very high90.1Very high52 Ų5267.4 Ų67.432%0.31938%0.379SS..Hα-helixtrans-71.2-37.217648.20000111.9N439 S440 S441 I446 H447N439-T443 PolarHBondContact OD1-OG1 2.76Å; S440-T443 PolarHBondContact N-OG1 3.45Å; S440-T443 PolarHBondContact O-N 3.12Å; S440-T443 PolarHBondContact O-OG1 3.02Å; S440-T443 WeakPolarHBondContact OG-CB 3.24Å; S440-T443 WeakPolarHBondContact OG-CG2 3.48Å; S440-T443 PolarHBondContact OG-N 3.18Å; S440-T443 VanDerWaalsContact OG-N 3.1Å; S440-T443 PolarHBondContact OG-OG1 2.83Å; S441-T443 PolarHBondContact O-N 3.05Å; T443-I446 PolarHBondContact O-N 3.48Å; T443-H447 WeakPolarHBondContact O-CB 3.36Å; T443-H447 PolarHBondContact O-N 3.15Å
444L92Very high90.2Very high19 Ų1965.2 Ų65.210%0.09937%0.369CS..Hα-helixtrans-59.4-50.6169.7171.960.9000111.3H429 C431 F438 S440 S441 I446 H447 E448H429-L444 HydrophobicContact CB-CB 4.02Å; H429-L444 HydrophobicContact CB-CD2 3.85Å; C431-L444 HydrophobicContact CB-CD1 3.55Å; F438-L444 HydrophobicContact CB-CB 4.17Å; F438-L444 HydrophobicContact CD2-CB 3.89Å; F438-L444 HydrophobicContact CD2-CD1 3.65Å; F438-L444 HydrophobicContact CD2-CG 4.37Å; F438-L444 HydrophobicContact CE2-CD1 3.86Å; F438-L444 HydrophobicContact CG-CB 4.16Å; S440-L444 PolarHBondContact O-N 3.38Å; S441-L444 PolarHBondContact O-N 3.41Å; L444-I446 VanDerWaalsContact C-N 3.3Å; L444-I446 PolarHBondContact O-N 2.98Å; L444-H447 CarbonylContact O-C 3.31Å; L444-H447 WeakPolarHBondContact O-CA 3.48Å; L444-H447 VanDerWaalsContact O-CB 3.3Å; L444-H447 WeakPolarHBondContact O-CB 3.41Å; L444-H447 PolarHBondContact O-N 2.94Å; L444-E448 HydrophobicContact CD1-CG 4Å; L444-E448 HydrophobicContact CG-CG 4.32Å; L444-E448 WeakPolarHBondContact O-CG 3.35Å; L444-E448 PolarHBondContact O-N 3.23Å
445R90.9Very high90.3Very high170 Ų17068.2 Ų68.264%0.64238%0.376SS*.Hα-helixtrans-58.5-39.9179.9-174.8179.1179.4-173.71.5112.9S441 S442 H447 E448S441-R445 PolarHBondContact O-N 3.35Å; S442-R445 PolarHBondContact O-N 3.02Å; R445-H447 VanDerWaalsContact C-N 3.31Å; R445-E448 PolarHBondContact O-N 3.24Å
446I90Very high90.4Very high66 Ų6669.2 Ų69.234%0.33837%0.372SS..Hα-helixtrans-66-38.1174.1-70.5167000110.7S442 T443 L444 R449 V468S442-I446 WeakPolarHBondContact O-CG1 3.41Å; S442-I446 PolarHBondContact O-N 3.36Å; S442-I446 VanDerWaalsContact O-N 3.09Å; T443-I446 PolarHBondContact O-N 3.48Å; L444-I446 VanDerWaalsContact C-N 3.3Å; L444-I446 PolarHBondContact O-N 2.98Å; I446-R449 WeakPolarHBondContact O-CB 3.41Å; I446-R449 PolarHBondContact O-N 3.28Å; I446-V468 HydrophobicContact CG1-CG2 4.46Å; I446-V468 HydrophobicContact CG2-CG2 3.39Å
447H91.2Very high90.6Very high23 Ų2366.9 Ų66.911%0.10636%0.361CS..Hα-helixtrans-68.1-37.8176164.768.6000112.7C434 F438 T443 L444 R445 R449 T450 H451C434-H447 PolarHBondContact SG-NE2 2.97Å; F438-H447 HydrophobicContact CE1-CB 3.77Å; F438-H447 AromaticContact CE1-CG 3.97Å; F438-H447 HydrophobicContact CE2-CB 3.89Å; F438-H447 AromaticContact CE2-CD2 3.2Å; F438-H447 WeakPolarHBondContact CE2-CD2 3.45Å; F438-H447 AromaticContact CE2-CG 3.55Å; F438-H447 AromaticContact CE2-NE2 3.86Å; F438-H447 HydrophobicContact CZ-CB 3.37Å; F438-H447 AromaticContact CZ-CD2 3.27Å; F438-H447 WeakPolarHBondContact CZ-CD2 3.46Å; F438-H447 AromaticContact CZ-CG 3.1Å; F438-H447 AromaticContact CZ-ND1 3.67Å; F438-H447 AromaticContact CZ-NE2 3.85Å; T443-H447 WeakPolarHBondContact O-CB 3.36Å; T443-H447 PolarHBondContact O-N 3.15Å; L444-H447 CarbonylContact O-C 3.31Å; L444-H447 WeakPolarHBondContact O-CA 3.48Å; L444-H447 VanDerWaalsContact O-CB 3.3Å; L444-H447 WeakPolarHBondContact O-CB 3.41Å; L444-H447 PolarHBondContact O-N 2.94Å; R445-H447 VanDerWaalsContact C-N 3.31Å; H447-R449 PolarHBondContact O-N 3.18Å; H447-R449 VanDerWaalsContact O-N 3.16Å; H447-T450 PolarHBondContact ND1-OG1 3.17Å; H447-T450 WeakPolarHBondContact O-CA 3.49Å; H447-T450 VanDerWaalsContact O-CB 3.25Å; H447-T450 WeakPolarHBondContact O-CB 3.32Å; H447-T450 WeakPolarHBondContact O-CG2 3.3Å; H447-T450 PolarHBondContact O-N 3.4Å; H447-T450 PolarHBondContact O-OG1 3.48Å; H447-H451 AromaticContact CE1-NE2 3.6Å; H447-H451 AromaticContact NE2-CD2 3.96Å; H447-H451 AromaticContact NE2-NE2 3.27Å; H447-H451 PolarHBondContact NE2-NE2 3.43Å
448E90.9Very high90.7Very high79 Ų7972.5 Ų72.537%0.36938%0.38SS..Hα-helixtrans-58.8-29.7177.5-73.5171.6159.300112.2L444 R445 T450 H451 T452L444-E448 HydrophobicContact CD1-CG 4Å; L444-E448 HydrophobicContact CG-CG 4.32Å; L444-E448 WeakPolarHBondContact O-CG 3.35Å; L444-E448 PolarHBondContact O-N 3.23Å; R445-E448 PolarHBondContact O-N 3.24Å; E448-T450 PolarHBondContact O-N 3.42Å; E448-T450 VanDerWaalsContact O-N 3.1Å; E448-H451 WeakPolarHBondContact O-CB 3.36Å; E448-H451 PolarHBondContact O-N 3.26Å; E448-T452 PolarHBondContact O-N 3.29Å; E448-T452 VanDerWaalsContact O-N 3.14Å
449R92.5Very high90.9Very high36 Ų3670.6 Ų70.614%0.13637%0.372CS..Hα-helixtrans-60.2-18.9170.7-63.9-179.2173.6155.62.2114.2I446 H447 H451 T452 G453 E454 S467I446-R449 WeakPolarHBondContact O-CB 3.41Å; I446-R449 PolarHBondContact O-N 3.28Å; H447-R449 PolarHBondContact O-N 3.18Å; H447-R449 VanDerWaalsContact O-N 3.16Å; R449-H451 VanDerWaalsContact C-N 3.32Å; R449-T452 WeakPolarHBondContact CA-OG1 3.34Å; R449-G453 CarbonylContact O-C 3.56Å; R449-G453 WeakPolarHBondContact O-CA 3.39Å; R449-G453 PolarHBondContact O-N 3.32Å; R449-E454 HydrophobicContact CB-CB 4.46Å; R449-E454 HydrophobicContact CG-CB 4.26Å; R449-E454 PolarHBondContact O-N 3.27Å; R449-S467 WeakPolarHBondContact CD-O 3.33Å; R449-S467 PolarHBondContact NH1-O 2.87Å
450T89.5Confident90.9Very high89 Ų8978.2 Ų78.255%0.54640%0.403SS..Hα-helixtrans-75.2-23.3173.269.30000112.6H447 E448H447-T450 PolarHBondContact ND1-OG1 3.17Å; H447-T450 WeakPolarHBondContact O-CA 3.49Å; H447-T450 VanDerWaalsContact O-CB 3.25Å; H447-T450 WeakPolarHBondContact O-CB 3.32Å; H447-T450 WeakPolarHBondContact O-CG2 3.3Å; H447-T450 PolarHBondContact O-N 3.4Å; H447-T450 PolarHBondContact O-OG1 3.48Å; E448-T450 PolarHBondContact O-N 3.42Å; E448-T450 VanDerWaalsContact O-N 3.1Å
451H90.5Very high90.9Very high86 Ų8684 Ų8440%0.39843%0.428SS..Hα-helixtrans-85.1-44.4172.9-63.2-59.9000111.5C431 C434 H447 E448 R449 G453C431-H451 VanDerWaalsContact SG-CD2 3.54Å; C431-H451 PolarHBondContact SG-NE2 3.29Å; C434-H451 PolarHBondContact SG-NE2 2.76Å; H447-H451 AromaticContact CE1-NE2 3.6Å; H447-H451 AromaticContact NE2-CD2 3.96Å; H447-H451 AromaticContact NE2-NE2 3.27Å; H447-H451 PolarHBondContact NE2-NE2 3.43Å; E448-H451 WeakPolarHBondContact O-CB 3.36Å; E448-H451 PolarHBondContact O-N 3.26Å; R449-H451 VanDerWaalsContact C-N 3.32Å; H451-G453 VanDerWaalsContact C-N 3.3Å; H451-G453 PolarHBondContact O-N 3.25Å
452T89.8Confident90.9Very high88 Ų8883.2 Ų83.254%0.5442%0.422SS..Hα-helixtrans-76.7-19.1179.8650000113.1E448 R449 E454E448-T452 PolarHBondContact O-N 3.29Å; E448-T452 VanDerWaalsContact O-N 3.14Å; R449-T452 WeakPolarHBondContact CA-OG1 3.34Å; T452-E454 PolarHBondContact O-N 3.3Å; T452-E454 WeakPolarHBondContact OG1-CB 3.49Å; T452-E454 WeakPolarHBondContact OG1-CG 3.34Å; T452-E454 PolarHBondContact OG1-N 3.46Å
453G87.5Confident91Very high48 Ų4881.1 Ų81.150%0.49541%0.412SS..  trans74.23.3-17400000113.9R449 H451 K455R449-G453 CarbonylContact O-C 3.56Å; R449-G453 WeakPolarHBondContact O-CA 3.39Å; R449-G453 PolarHBondContact O-N 3.32Å; H451-G453 VanDerWaalsContact C-N 3.3Å; H451-G453 PolarHBondContact O-N 3.25Å; G453-K455 PolarHBondContact O-N 3.42Å
454E90.2Very high91Very high110 Ų11084.3 Ų84.351%0.51442%0.421SS..  trans-59.8124.9-178.6-77-179.8-17200112.2R449 T452R449-E454 HydrophobicContact CB-CB 4.46Å; R449-E454 HydrophobicContact CG-CB 4.26Å; R449-E454 PolarHBondContact O-N 3.27Å; T452-E454 PolarHBondContact O-N 3.3Å; T452-E454 WeakPolarHBondContact OG1-CB 3.49Å; T452-E454 WeakPolarHBondContact OG1-CG 3.34Å; T452-E454 PolarHBondContact OG1-N 3.46Å
455K92.1Very high91.1Very high114 Ų11486.5 Ų86.550%0.49644%0.436SS..  trans-12976.4175.8-67.6176.4-175.9174.30110.6G453 Y457 V465 F466G453-K455 PolarHBondContact O-N 3.42Å; K455-Y457 PolarHBondContact O-N 3.44Å; K455-V465 HydrophobicContact CB-CB 3.71Å; K455-V465 HydrophobicContact CB-CG2 3.82Å; K455-V465 HydrophobicContact CD-CB 4.37Å; K455-V465 HydrophobicContact CD-CG2 3.71Å; K455-V465 HydrophobicContact CG-CG2 4.43Å; K455-F466 CarbonylContact C-O 3.49Å; K455-F466 VanDerWaalsContact CA-O 3.27Å; K455-F466 WeakPolarHBondContact CA-O 3.5Å
456P90.8Very high91.2Very high75 Ų7580.4 Ų80.449%0.48741%0.414SS..  trans-65.4-21.9-171.6-22.234.6000114.4K458P456-K458 PolarHBondContact O-N 3.01Å
457Y94.1Very high91.3Very high76 Ų7679 Ų7930%0.29841%0.41SS..EExtended strand (participates in β ladder)trans-95.298-171.1-56.5-78.2000110.3K455 V465 F466 V468 D469K455-Y457 PolarHBondContact O-N 3.44Å; Y457-V465 CarbonylContact O-C 3.49Å; Y457-V465 WeakPolarHBondContact O-CA 3.46Å; Y457-F466 WeakPolarHBondContact CD2-O 3.18Å; Y457-F466 PolarHBondContact N-O 3.37Å; Y457-F466 VanDerWaalsContact N-O 3.11Å; Y457-F466 PolarHBondContact O-N 3.5Å; Y457-V468 VanDerWaalsContact CD2-C 3.41Å; Y457-D469 HydrophobicContact CD1-CB 3.88Å; Y457-D469 VanDerWaalsContact CD2-N 3.32Å; Y457-D469 HydrophobicContact CE1-CB 3.59Å; Y457-D469 HydrophobicContact CE2-CB 4.3Å; Y457-D469 VanDerWaalsContact CE2-N 3.3Å; Y457-D469 HydrophobicContact CG-CB 4.36Å
458K92.7Very high91.4Very high136 Ų13679.3 Ų79.359%0.59141%0.413SS*.EExtended strand (participates in β ladder)trans-94.2129.1179.7-173.9176.9178-178.40111.4P456 K460 V465P456-K458 PolarHBondContact O-N 3.01Å; K458-K460 PolarHBondContact O-N 3.32Å; K458-V465 HydrophobicContact CB-CG1 3.94Å; K458-V465 HydrophobicContact CD-CG1 4.49Å; K458-V465 HydrophobicContact CG-CG1 3.93Å
459C93.9Very high91.5Very high1 Ų177.8 Ų77.81%0.00741%0.408CS..  trans-69.3123.9168.1-179.80000109.8Q461 G463 K464 F466 L472C459-Q461 VanDerWaalsContact C-N 3.29Å; C459-Q461 PolarHBondContact O-N 3.48Å; C459-G463 WeakPolarHBondContact O-CA 3.33Å; C459-G463 PolarHBondContact O-N 3.29Å; C459-K464 WeakPolarHBondContact CB-O 3.47Å; C459-K464 PolarHBondContact N-O 2.81Å; C459-F466 HydrophobicContact CB-CE2 4.45Å; C459-L472 HydrophobicContact CB-CD1 3.63Å
460K91.1Very high91.3Very high204 Ų20479.8 Ų79.889%0.88743%0.427SS*.THydrogen-bonded Turntrans-66.3-30-179.8-64.5-175.9179.3-177.90113K458K458-K460 PolarHBondContact O-N 3.32Å
461Q88.2Confident91.5Very high144 Ų14478 Ų7867%0.67342%0.418SS*.THydrogen-bonded Turntrans-85.7-40.9-174.2-63.3-166.88.800114.5C459 H479C459-Q461 VanDerWaalsContact C-N 3.29Å; C459-Q461 PolarHBondContact O-N 3.48Å; Q461-H479 PolarHBondContact OE1-ND1 3.34Å
462C91.3Very high91.6Very high53 Ų5374.6 Ų74.636%0.35840%0.403SS..THydrogen-bonded Turntrans-115.61.1-179.970.90000114.7K464 H475 H479C462-K464 PolarHBondContact O-N 3.48Å; C462-K464 VanDerWaalsContact O-N 3.08Å; C462-K464 VanDerWaalsContact SG-CG 3.6Å; C462-H475 VanDerWaalsContact SG-CE1 3.53Å; C462-H475 PolarHBondContact SG-NE2 3Å; C462-H479 PolarHBondContact SG-NE2 3.4Å; C462-H479 VanDerWaalsContact SG-NE2 3.37Å
463G90.7Very high91.6Very high34 Ų3477.7 Ų77.735%0.35141%0.405SS..  trans71.3-2.7-179.900000115.5C459 V465C459-G463 WeakPolarHBondContact O-CA 3.33Å; C459-G463 PolarHBondContact O-N 3.29Å; G463-V465 PolarHBondContact O-N 2.96Å
464K92.2Very high91.7Very high119 Ų11977 Ų7752%0.51739%0.391SS..  trans-62.1134.7178.3-74.5-179.4-176.41730111.1C459 C462 F466C459-K464 WeakPolarHBondContact CB-O 3.47Å; C459-K464 PolarHBondContact N-O 2.81Å; C462-K464 PolarHBondContact O-N 3.48Å; C462-K464 VanDerWaalsContact O-N 3.08Å; C462-K464 VanDerWaalsContact SG-CG 3.6Å; K464-F466 HydrophobicContact CB-CE2 3.93Å; K464-F466 HydrophobicContact CB-CZ 4.06Å; K464-F466 WeakPolarHBondContact O-CE2 3.44Å
465V93.7Very high91.7Very high66 Ų6672.7 Ų72.740%0.437%0.372SS..EExtended strand (participates in β ladder)trans-106143.6-177.8-68.40000112K455 Y457 K458 G463K455-V465 HydrophobicContact CB-CB 3.71Å; K455-V465 HydrophobicContact CB-CG2 3.82Å; K455-V465 HydrophobicContact CD-CB 4.37Å; K455-V465 HydrophobicContact CD-CG2 3.71Å; K455-V465 HydrophobicContact CG-CG2 4.43Å; Y457-V465 CarbonylContact O-C 3.49Å; Y457-V465 WeakPolarHBondContact O-CA 3.46Å; K458-V465 HydrophobicContact CB-CG1 3.94Å; K458-V465 HydrophobicContact CD-CG1 4.49Å; K458-V465 HydrophobicContact CG-CG1 3.93Å; G463-V465 PolarHBondContact O-N 2.96Å
466F93.3Very high91.7Very high42 Ų4270.9 Ų70.918%0.18437%0.365CS..EExtended strand (participates in β ladder)trans-130.1148.3-177.4-58.3-89.1000111.1K455 Y457 C459 K464 V468 L472 H475K455-F466 CarbonylContact C-O 3.49Å; K455-F466 VanDerWaalsContact CA-O 3.27Å; K455-F466 WeakPolarHBondContact CA-O 3.5Å; Y457-F466 WeakPolarHBondContact CD2-O 3.18Å; Y457-F466 PolarHBondContact N-O 3.37Å; Y457-F466 VanDerWaalsContact N-O 3.11Å; Y457-F466 PolarHBondContact O-N 3.5Å; C459-F466 HydrophobicContact CB-CE2 4.45Å; K464-F466 HydrophobicContact CB-CE2 3.93Å; K464-F466 HydrophobicContact CB-CZ 4.06Å; K464-F466 WeakPolarHBondContact O-CE2 3.44Å; F466-V468 VanDerWaalsContact C-N 3.35Å; F466-L472 HydrophobicContact CB-CB 4.31Å; F466-L472 HydrophobicContact CD2-CB 3.84Å; F466-L472 HydrophobicContact CD2-CD1 3.77Å; F466-L472 HydrophobicContact CD2-CG 4.41Å; F466-L472 HydrophobicContact CE2-CD1 3.9Å; F466-L472 HydrophobicContact CG-CB 4.24Å; F466-H475 HydrophobicContact CE1-CB 3.89Å; F466-H475 HydrophobicContact CE2-CB 3.86Å; F466-H475 AromaticContact CE2-CD2 3.38Å; F466-H475 WeakPolarHBondContact CE2-CD2 3.49Å; F466-H475 AromaticContact CE2-CG 3.58Å; F466-H475 AromaticContact CE2-NE2 3.98Å; F466-H475 HydrophobicContact CZ-CB 3.37Å; F466-H475 AromaticContact CZ-CD2 3.48Å; F466-H475 VanDerWaalsContact CZ-CD2 3.48Å; F466-H475 WeakPolarHBondContact CZ-CD2 3.49Å; F466-H475 AromaticContact CZ-CG 3.17Å; F466-H475 AromaticContact CZ-ND1 3.59Å; F466-H475 AromaticContact CZ-NE2 3.99Å
467S91.4Very high91.7Very high36 Ų3670.2 Ų70.225%0.25235%0.353SS..SBendtrans-80.4-15.5177.255.70000113.6R449R449-S467 WeakPolarHBondContact CD-O 3.33Å; R449-S467 PolarHBondContact NH1-O 2.87Å
468V92.7Very high91.4Very high29 Ų2971.5 Ų71.518%0.17636%0.363CS..SBendtrans-138.1135.5-177.8-170.40000110.9I446 Y457 F466 S470 S471 L472I446-V468 HydrophobicContact CG1-CG2 4.46Å; I446-V468 HydrophobicContact CG2-CG2 3.39Å; Y457-V468 VanDerWaalsContact CD2-C 3.41Å; F466-V468 VanDerWaalsContact C-N 3.35Å; V468-S470 VanDerWaalsContact C-N 3.34Å; V468-S470 WeakPolarHBondContact CG1-OG 3.29Å; V468-S470 PolarHBondContact O-N 3.13Å; V468-S471 WeakPolarHBondContact O-CB 3.36Å; V468-S471 PolarHBondContact O-N 3.13Å; V468-L472 PolarHBondContact O-N 3.46Å
469D92.7Very high91.3Very high48 Ų4868 Ų6826%0.25735%0.349SS..Hα-helixtrans-54.2-44179.4-179.355.1000113.1Y457 S471 L472 R473Y457-D469 HydrophobicContact CD1-CB 3.88Å; Y457-D469 VanDerWaalsContact CD2-N 3.32Å; Y457-D469 HydrophobicContact CE1-CB 3.59Å; Y457-D469 HydrophobicContact CE2-CB 4.3Å; Y457-D469 VanDerWaalsContact CE2-N 3.3Å; Y457-D469 HydrophobicContact CG-CB 4.36Å; D469-S471 PolarHBondContact O-N 3.38Å; D469-L472 WeakPolarHBondContact O-CA 3.46Å; D469-L472 WeakPolarHBondContact O-CB 3.44Å; D469-L472 PolarHBondContact O-N 2.94Å; D469-R473 PolarHBondContact O-N 3.37Å; D469-R473 IonicContact OD1-NE 2.8Å; D469-R473 IonicContact OD2-CZ 3.74Å; D469-R473 IonicContact OD2-NE 3.83Å; D469-R473 PolarHBondContact OD2-NE 3.2Å; D469-R473 IonicContact OD2-NH1 3.49Å; D469-R473 IonicContact OD2-NH2 3.66Å; D469-R473 PolarHBondContact OD2-NH2 3.32Å
470S89.8Confident91Very high78 Ų7871.2 Ų71.255%0.54537%0.371SS..Hα-helixtrans-61-28.1177.661.90000113.5V468 C474V468-S470 VanDerWaalsContact C-N 3.34Å; V468-S470 WeakPolarHBondContact CG1-OG 3.29Å; V468-S470 PolarHBondContact O-N 3.13Å; S470-C474 VanDerWaalsContact O-CB 3.3Å; S470-C474 WeakPolarHBondContact O-CB 3.32Å; S470-C474 PolarHBondContact O-N 2.96Å; S470-C474 VanDerWaalsContact O-N 3.07Å
471S92.4Very high90.8Very high51 Ų5163.7 Ų63.736%0.35735%0.352SS..Hα-helixtrans-74.9-38.7174.3-59.30000111.5V468 D469 C474 H475V468-S471 WeakPolarHBondContact O-CB 3.36Å; V468-S471 PolarHBondContact O-N 3.13Å; D469-S471 PolarHBondContact O-N 3.38Å; S471-C474 PolarHBondContact O-N 3.26Å; S471-H475 VanDerWaalsContact O-CB 3.28Å; S471-H475 WeakPolarHBondContact O-CB 3.42Å; S471-H475 PolarHBondContact O-N 3.13Å
472L93Very high90.8Very high14 Ų1462.2 Ų62.27%0.07335%0.345CS..Hα-helixtrans-61.5-51.5172171.461.8000110.7C459 F466 V468 D469 C474 H475 E476C459-L472 HydrophobicContact CB-CD1 3.63Å; F466-L472 HydrophobicContact CB-CB 4.31Å; F466-L472 HydrophobicContact CD2-CB 3.84Å; F466-L472 HydrophobicContact CD2-CD1 3.77Å; F466-L472 HydrophobicContact CD2-CG 4.41Å; F466-L472 HydrophobicContact CE2-CD1 3.9Å; F466-L472 HydrophobicContact CG-CB 4.24Å; V468-L472 PolarHBondContact O-N 3.46Å; D469-L472 WeakPolarHBondContact O-CA 3.46Å; D469-L472 WeakPolarHBondContact O-CB 3.44Å; D469-L472 PolarHBondContact O-N 2.94Å; L472-C474 VanDerWaalsContact C-N 3.3Å; L472-C474 PolarHBondContact O-N 3.28Å; L472-H475 CarbonylContact O-C 3.39Å; L472-H475 WeakPolarHBondContact O-CA 3.49Å; L472-H475 VanDerWaalsContact O-CB 3.28Å; L472-H475 WeakPolarHBondContact O-CB 3.31Å; L472-H475 PolarHBondContact O-N 3.24Å; L472-E476 HydrophobicContact CD1-CG 3.93Å; L472-E476 HydrophobicContact CG-CG 4.33Å; L472-E476 WeakPolarHBondContact O-CG 3.46Å; L472-E476 PolarHBondContact O-N 3.41Å
473R90.9Very high90.8Very high154 Ų15465.1 Ų65.158%0.58135%0.352SS*.Hα-helixtrans-59-40.6178.5-67.1-173.9-169.1172.97.7112.9D469 H475 E476D469-R473 PolarHBondContact O-N 3.37Å; D469-R473 IonicContact OD1-NE 2.8Å; D469-R473 IonicContact OD2-CZ 3.74Å; D469-R473 IonicContact OD2-NE 3.83Å; D469-R473 PolarHBondContact OD2-NE 3.2Å; D469-R473 IonicContact OD2-NH1 3.49Å; D469-R473 IonicContact OD2-NH2 3.66Å; D469-R473 PolarHBondContact OD2-NH2 3.32Å; R473-H475 VanDerWaalsContact C-N 3.25Å; R473-H475 PolarHBondContact O-N 3.47Å; R473-E476 PolarHBondContact O-N 2.94Å
474C89.2Confident90.7Very high32 Ų3266.9 Ų66.922%0.21636%0.357CS..Hα-helixtrans-64.8-33.9174.7-175.80000111.8S470 S471 L472S470-C474 VanDerWaalsContact O-CB 3.3Å; S470-C474 WeakPolarHBondContact O-CB 3.32Å; S470-C474 PolarHBondContact O-N 2.96Å; S470-C474 VanDerWaalsContact O-N 3.07Å; S471-C474 PolarHBondContact O-N 3.26Å; L472-C474 VanDerWaalsContact C-N 3.3Å; L472-C474 PolarHBondContact O-N 3.28Å
475H90.5Very high90.7Very high21 Ų2164.8 Ų64.810%0.09735%0.346CS..Hα-helixtrans-72.8-41.8176.3163.577.7000111.9C462 F466 S471 L472 R473 R477 I478 H479C462-H475 VanDerWaalsContact SG-CE1 3.53Å; C462-H475 PolarHBondContact SG-NE2 3Å; F466-H475 HydrophobicContact CE1-CB 3.89Å; F466-H475 HydrophobicContact CE2-CB 3.86Å; F466-H475 AromaticContact CE2-CD2 3.38Å; F466-H475 WeakPolarHBondContact CE2-CD2 3.49Å; F466-H475 AromaticContact CE2-CG 3.58Å; F466-H475 AromaticContact CE2-NE2 3.98Å; F466-H475 HydrophobicContact CZ-CB 3.37Å; F466-H475 AromaticContact CZ-CD2 3.48Å; F466-H475 VanDerWaalsContact CZ-CD2 3.48Å; F466-H475 WeakPolarHBondContact CZ-CD2 3.49Å; F466-H475 AromaticContact CZ-CG 3.17Å; F466-H475 AromaticContact CZ-ND1 3.59Å; F466-H475 AromaticContact CZ-NE2 3.99Å; S471-H475 VanDerWaalsContact O-CB 3.28Å; S471-H475 WeakPolarHBondContact O-CB 3.42Å; S471-H475 PolarHBondContact O-N 3.13Å; L472-H475 CarbonylContact O-C 3.39Å; L472-H475 WeakPolarHBondContact O-CA 3.49Å; L472-H475 VanDerWaalsContact O-CB 3.28Å; L472-H475 WeakPolarHBondContact O-CB 3.31Å; L472-H475 PolarHBondContact O-N 3.24Å; R473-H475 VanDerWaalsContact C-N 3.25Å; R473-H475 PolarHBondContact O-N 3.47Å; H475-R477 PolarHBondContact O-N 3.27Å; H475-I478 WeakPolarHBondContact CE1-CD1 3.46Å; H475-I478 WeakPolarHBondContact ND1-CD1 3.19Å; H475-I478 WeakPolarHBondContact O-CB 3.3Å; H475-I478 WeakPolarHBondContact O-CG1 3.3Å; H475-I478 WeakPolarHBondContact O-CG2 3.36Å; H475-I478 PolarHBondContact O-N 2.97Å; H475-H479 AromaticContact CE1-NE2 3.92Å; H475-H479 AromaticContact NE2-CD2 3.99Å; H475-H479 AromaticContact NE2-NE2 3.54Å
476E90.8Very high90.7Very high75 Ų7565.3 Ų65.335%0.3535%0.35SS..Hα-helixtrans-58.1-23179.2-72.7173.815400113.2L472 R473 I478 H479 S480L472-E476 HydrophobicContact CD1-CG 3.93Å; L472-E476 HydrophobicContact CG-CG 4.33Å; L472-E476 WeakPolarHBondContact O-CG 3.46Å; L472-E476 PolarHBondContact O-N 3.41Å; R473-E476 PolarHBondContact O-N 2.94Å; E476-I478 PolarHBondContact O-N 3.13Å; E476-H479 WeakPolarHBondContact O-CA 3.45Å; E476-H479 VanDerWaalsContact O-CB 3.3Å; E476-H479 WeakPolarHBondContact O-CB 3.17Å; E476-H479 PolarHBondContact O-N 2.82Å; E476-S480 PolarHBondContact O-N 2.79Å
477R91.1Very high90.6Very high62 Ų6263.4 Ų63.423%0.23434%0.341CS..Hα-helixtrans-62.1-21171-65.1179.2-174.7169.10114.6H475 H479 S480 G481 T495H475-R477 PolarHBondContact O-N 3.27Å; R477-H479 PolarHBondContact O-N 3.37Å; R477-S480 WeakPolarHBondContact CA-OG 3.47Å; R477-G481 WeakPolarHBondContact O-CA 3.37Å; R477-G481 PolarHBondContact O-N 3.12Å; R477-T495 HydrophobicContact CB-CG2 4.43Å; R477-T495 WeakPolarHBondContact CD-O 3.45Å; R477-T495 PolarHBondContact NH1-O 3.23Å
478I88.1Confident90.5Very high102 Ų10271.6 Ų71.652%0.52337%0.373SS..Hα-helixtrans-69.4-28.3172.580.4-178.9000111.3H475 E476H475-I478 WeakPolarHBondContact CE1-CD1 3.46Å; H475-I478 WeakPolarHBondContact ND1-CD1 3.19Å; H475-I478 WeakPolarHBondContact O-CB 3.3Å; H475-I478 WeakPolarHBondContact O-CG1 3.3Å; H475-I478 WeakPolarHBondContact O-CG2 3.36Å; H475-I478 PolarHBondContact O-N 2.97Å; E476-I478 PolarHBondContact O-N 3.13Å
479H89.6Confident90Very high64 Ų6477 Ų7730%0.29640%0.396SS..Hα-helixtrans-86.9-47.1-177.7-72.3-57.3000111.6Q461 C462 H475 E476 R477 G481Q461-H479 PolarHBondContact OE1-ND1 3.34Å; C462-H479 PolarHBondContact SG-NE2 3.4Å; C462-H479 VanDerWaalsContact SG-NE2 3.37Å; H475-H479 AromaticContact CE1-NE2 3.92Å; H475-H479 AromaticContact NE2-CD2 3.99Å; H475-H479 AromaticContact NE2-NE2 3.54Å; E476-H479 WeakPolarHBondContact O-CA 3.45Å; E476-H479 VanDerWaalsContact O-CB 3.3Å; E476-H479 WeakPolarHBondContact O-CB 3.17Å; E476-H479 PolarHBondContact O-N 2.82Å; R477-H479 PolarHBondContact O-N 3.37Å; H479-G481 PolarHBondContact O-N 3.07Å
480S89Confident89.8Confident67 Ų6777.3 Ų77.347%0.46940%0.401SS..Hα-helixtrans-71-17.6175.663.60000112.7E476 R477 E482E476-S480 PolarHBondContact O-N 2.79Å; R477-S480 WeakPolarHBondContact CA-OG 3.47Å; S480-E482 PolarHBondContact O-N 3.49Å; S480-E482 VanDerWaalsContact O-N 3.15Å; S480-E482 WeakPolarHBondContact OG-CB 3.45Å; S480-E482 WeakPolarHBondContact OG-CG 3.39Å; S480-E482 PolarHBondContact OG-N 2.91Å
481G85.7Confident89.7Confident47 Ų4776.1 Ų76.149%0.48540%0.401SS..  trans69.42.8-172.600000113.5R477 H479 K483R477-G481 WeakPolarHBondContact O-CA 3.37Å; R477-G481 PolarHBondContact O-N 3.12Å; H479-G481 PolarHBondContact O-N 3.07Å; G481-K483 PolarHBondContact O-N 3.43Å
482E88.3Confident89.6Confident112 Ų11279.8 Ų79.852%0.52341%0.41SS..  trans-60.8127-177.6-76.5177.5-168.300111.5S480 P484S480-E482 PolarHBondContact O-N 3.49Å; S480-E482 VanDerWaalsContact O-N 3.15Å; S480-E482 WeakPolarHBondContact OG-CB 3.45Å; S480-E482 WeakPolarHBondContact OG-CG 3.39Å; S480-E482 PolarHBondContact OG-N 2.91Å; E482-P484 WeakPolarHBondContact O-CD 3.45Å
483K90.9Very high89.6Confident114 Ų11480.7 Ų80.750%0.49642%0.42SS..  trans-124.575.6176.2-70.4168.4176.9-176.90109.9G481 Y485 A493 F494 T495G481-K483 PolarHBondContact O-N 3.43Å; K483-Y485 PolarHBondContact O-N 3.35Å; K483-Y485 VanDerWaalsContact O-N 3.11Å; K483-A493 HydrophobicContact CB-CB 3.44Å; K483-A493 VanDerWaalsContact CB-CB 3.44Å; K483-A493 HydrophobicContact CD-CB 4.06Å; K483-A493 WeakPolarHBondContact CD-O 3.35Å; K483-A493 HydrophobicContact CG-CB 4.37Å; K483-F494 CarbonylContact C-O 3.58Å; K483-F494 WeakPolarHBondContact CA-O 3.42Å; K483-T495 HydrophobicContact CG-CG2 3.85Å
484P89.5Confident89.6Confident72 Ų7275.4 Ų75.447%0.46840%0.401SS..  trans-65.5-18.8-171.6-22.234.4000114.4E482E482-P484 WeakPolarHBondContact O-CD 3.45Å
485Y92.9Very high89.6Confident74 Ų7476 Ų7629%0.2940%0.404SS..EExtended strand (participates in β ladder)trans-99.295.1-174.5-54.7-74.5000110.1K483 A493 F494 H497K483-Y485 PolarHBondContact O-N 3.35Å; K483-Y485 VanDerWaalsContact O-N 3.11Å; Y485-A493 CarbonylContact O-C 3.47Å; Y485-A493 WeakPolarHBondContact O-CA 3.5Å; Y485-F494 WeakPolarHBondContact CD2-O 3.44Å; Y485-F494 PolarHBondContact N-O 3.37Å; Y485-F494 PolarHBondContact O-N 2.79Å; Y485-H497 HydrophobicContact CD1-CB 3.91Å; Y485-H497 AromaticContact CD1-CD2 3.91Å; Y485-H497 HydrophobicContact CD2-CB 4.43Å; Y485-H497 VanDerWaalsContact CD2-N 3.25Å; Y485-H497 HydrophobicContact CE1-CB 3.68Å; Y485-H497 AromaticContact CE1-CD2 3.98Å; Y485-H497 HydrophobicContact CE2-CB 4.2Å; Y485-H497 VanDerWaalsContact CE2-N 3.26Å; Y485-H497 HydrophobicContact CG-CB 4.28Å
486V92.1Very high89.6Confident78 Ų7881.4 Ų81.447%0.47342%0.424SS..EExtended strand (participates in β ladder)trans-95.5131.3-178.5-174.20000110.5K488 A493V486-K488 PolarHBondContact O-N 3.43Å; V486-A493 HydrophobicContact CG2-CB 3.98Å
487C92.2Very high89.5Confident1 Ų181.8 Ų81.81%0.00743%0.425CS..  trans-73.4118.2170.8-178.80000109.9Q489 C490 G491 K492 F494 L500 H503 H507C487-Q489 PolarHBondContact O-N 3.47Å; C487-C490 PolarHBondContact O-N 2.91Å; C487-G491 VanDerWaalsContact O-CA 3.28Å; C487-G491 WeakPolarHBondContact O-CA 3.48Å; C487-G491 PolarHBondContact O-N 3.18Å; C487-K492 WeakPolarHBondContact CB-O 3.49Å; C487-K492 PolarHBondContact N-O 3.07Å; C487-F494 HydrophobicContact CB-CE2 4.47Å; C487-L500 VanDerWaalsContact CA-CD1 3.49Å; C487-L500 HydrophobicContact CB-CD1 3.55Å; C487-H503 PolarHBondContact SG-NE2 2.83Å; C487-H503 VanDerWaalsContact SG-NE2 3.44Å; C487-H507 PolarHBondContact SG-NE2 3.43Å
488K88.8Confident89.3Confident209 Ų20982.7 Ų82.791%0.90944%0.438SS*.THydrogen-bonded Turntrans-62.6-29.3-179.9-65.1-175.4177.1-175.20113.5V486V486-K488 PolarHBondContact O-N 3.43Å
489Q81.9Confident89.4Confident142 Ų14280.1 Ų80.166%0.66443%0.429SS*.THydrogen-bonded Turntrans-82.9-28.5-176.1-73.7174.7-26.700114.3C487 H507C487-Q489 PolarHBondContact O-N 3.47Å; Q489-H507 PolarHBondContact OE1-CD2 3.28Å
490C88.9Confident89.5Confident55 Ų5577.7 Ų77.737%0.37242%0.418SS..THydrogen-bonded Turntrans-132.13.4-177.878.10000115.1C487 K492 H503C487-C490 PolarHBondContact O-N 2.91Å; C490-K492 PolarHBondContact O-N 3.11Å; C490-K492 VanDerWaalsContact SG-CB 3.54Å; C490-K492 WeakPolarHBondContact SG-CG 3.28Å; C490-H503 VanDerWaalsContact SG-CE1 3.56Å; C490-H503 PolarHBondContact SG-NE2 2.8Å
491G88.7Confident89.4Confident52 Ų5280.9 Ų80.954%0.53642%0.42SS..  trans69.9-3-178.700000115.2C487 A493C487-G491 VanDerWaalsContact O-CA 3.28Å; C487-G491 WeakPolarHBondContact O-CA 3.48Å; C487-G491 PolarHBondContact O-N 3.18Å; G491-A493 PolarHBondContact O-N 3.44Å
492K90.6Very high89.4Confident128 Ų12880.9 Ų80.956%0.55741%0.411SS*.  trans-65.5126.2-180-72.4180-176.8177.50110.8C487 C490 F494C487-K492 WeakPolarHBondContact CB-O 3.49Å; C487-K492 PolarHBondContact N-O 3.07Å; C490-K492 PolarHBondContact O-N 3.11Å; C490-K492 VanDerWaalsContact SG-CB 3.54Å; C490-K492 WeakPolarHBondContact SG-CG 3.28Å; K492-F494 HydrophobicContact CB-CE2 3.88Å; K492-F494 HydrophobicContact CB-CZ 4.01Å; K492-F494 WeakPolarHBondContact O-CD2 3.39Å; K492-F494 VanDerWaalsContact O-CE2 3.31Å; K492-F494 WeakPolarHBondContact O-CE2 3.43Å
493A91.4Very high89.4Confident33 Ų3376.4 Ų76.427%0.27339%0.391SS..EExtended strand (participates in β ladder)trans-99.1142.6-18000000111.7K483 Y485 V486 G491K483-A493 HydrophobicContact CB-CB 3.44Å; K483-A493 VanDerWaalsContact CB-CB 3.44Å; K483-A493 HydrophobicContact CD-CB 4.06Å; K483-A493 WeakPolarHBondContact CD-O 3.35Å; K483-A493 HydrophobicContact CG-CB 4.37Å; Y485-A493 CarbonylContact O-C 3.47Å; Y485-A493 WeakPolarHBondContact O-CA 3.5Å; V486-A493 HydrophobicContact CG2-CB 3.98Å; G491-A493 PolarHBondContact O-N 3.44Å
494F91.1Very high89.2Confident44 Ų4474.5 Ų74.519%0.19338%0.383CS..EExtended strand (participates in β ladder)trans-127.5147.9-178.6-59.5-88.8000111.4K483 Y485 C487 K492 R496 L500 H503K483-F494 CarbonylContact C-O 3.58Å; K483-F494 WeakPolarHBondContact CA-O 3.42Å; Y485-F494 WeakPolarHBondContact CD2-O 3.44Å; Y485-F494 PolarHBondContact N-O 3.37Å; Y485-F494 PolarHBondContact O-N 2.79Å; C487-F494 HydrophobicContact CB-CE2 4.47Å; K492-F494 HydrophobicContact CB-CE2 3.88Å; K492-F494 HydrophobicContact CB-CZ 4.01Å; K492-F494 WeakPolarHBondContact O-CD2 3.39Å; K492-F494 VanDerWaalsContact O-CE2 3.31Å; K492-F494 WeakPolarHBondContact O-CE2 3.43Å; F494-R496 VanDerWaalsContact C-N 3.3Å; F494-R496 PolarHBondContact O-N 3.24Å; F494-L500 HydrophobicContact CB-CB 4.34Å; F494-L500 HydrophobicContact CD2-CB 3.86Å; F494-L500 HydrophobicContact CD2-CD1 3.81Å; F494-L500 HydrophobicContact CD2-CG 4.46Å; F494-L500 HydrophobicContact CE2-CD1 3.97Å; F494-L500 HydrophobicContact CG-CB 4.3Å; F494-H503 HydrophobicContact CE1-CB 3.97Å; F494-H503 HydrophobicContact CE2-CB 3.72Å; F494-H503 AromaticContact CE2-CD2 3.46Å; F494-H503 VanDerWaalsContact CE2-CD2 3.46Å; F494-H503 WeakPolarHBondContact CE2-CD2 3.2Å; F494-H503 AromaticContact CE2-CG 3.51Å; F494-H503 HydrophobicContact CZ-CB 3.34Å; F494-H503 AromaticContact CZ-CD2 3.63Å; F494-H503 AromaticContact CZ-CG 3.19Å; F494-H503 AromaticContact CZ-ND1 3.65Å
495T89.8Confident89Confident45 Ų4573.2 Ų73.228%0.27637%0.369SS..SBendtrans-75.2-19.8176.957.10000112.8R477 K483R477-T495 HydrophobicContact CB-CG2 4.43Å; R477-T495 WeakPolarHBondContact CD-O 3.45Å; R477-T495 PolarHBondContact NH1-O 3.23Å; K483-T495 HydrophobicContact CG-CG2 3.85Å
496R89.5Confident88.5Confident134 Ų13474.5 Ų74.551%0.50638%0.38SS..SBendtrans-133.3138.9-176.5-58.9-179.676.5173.52.9111.5F494 T498 S499 L500F494-R496 VanDerWaalsContact C-N 3.3Å; F494-R496 PolarHBondContact O-N 3.24Å; R496-T498 VanDerWaalsContact C-N 3.32Å; R496-T498 PolarHBondContact O-N 3.35Å; R496-S499 WeakPolarHBondContact O-CB 3.37Å; R496-S499 PolarHBondContact O-N 2.91Å; R496-L500 PolarHBondContact O-N 3.32Å
497H90.5Very high88Confident82 Ų8274.3 Ų74.338%0.3837%0.374SS..Hα-helixtrans-59-39.7177.9-176.9-87.1000113.2Y485 S499 L500 R501Y485-H497 HydrophobicContact CD1-CB 3.91Å; Y485-H497 AromaticContact CD1-CD2 3.91Å; Y485-H497 HydrophobicContact CD2-CB 4.43Å; Y485-H497 VanDerWaalsContact CD2-N 3.25Å; Y485-H497 HydrophobicContact CE1-CB 3.68Å; Y485-H497 AromaticContact CE1-CD2 3.98Å; Y485-H497 HydrophobicContact CE2-CB 4.2Å; Y485-H497 VanDerWaalsContact CE2-N 3.26Å; Y485-H497 HydrophobicContact CG-CB 4.28Å; H497-S499 PolarHBondContact O-N 3.18Å; H497-L500 PolarHBondContact O-N 2.82Å; H497-R501 PolarHBondContact O-N 3.12Å
498T86.8Confident87.5Confident81 Ų8177.8 Ų77.850%0.49740%0.398SS..Hα-helixtrans-61.8-33.2176.753.70000112.7R496 C502R496-T498 VanDerWaalsContact C-N 3.32Å; R496-T498 PolarHBondContact O-N 3.35Å; T498-C502 WeakPolarHBondContact O-CB 3.38Å; T498-C502 PolarHBondContact O-N 2.77Å; T498-C502 PolarHBondContact O-SG 3.3Å; T498-C502 VanDerWaalsContact O-SG 3.41Å
499S90Very high87Confident48 Ų4870.1 Ų70.134%0.33638%0.378SS..Hα-helixtrans-70.9-41.4175.6-56.10000111.5R496 H497 C502 H503R496-S499 WeakPolarHBondContact O-CB 3.37Å; R496-S499 PolarHBondContact O-N 2.91Å; H497-S499 PolarHBondContact O-N 3.18Å; S499-C502 PolarHBondContact O-N 2.89Å; S499-H503 VanDerWaalsContact O-CB 3.3Å; S499-H503 WeakPolarHBondContact O-CB 3.36Å; S499-H503 PolarHBondContact O-N 3.12Å
500L90.7Very high86.8Confident13 Ų1368.8 Ų68.87%0.06837%0.372CS..Hα-helixtrans-59.8-50.8171.5172.861.9000110.9C487 F494 R496 H497 C502 H503 E504C487-L500 VanDerWaalsContact CA-CD1 3.49Å; C487-L500 HydrophobicContact CB-CD1 3.55Å; F494-L500 HydrophobicContact CB-CB 4.34Å; F494-L500 HydrophobicContact CD2-CB 3.86Å; F494-L500 HydrophobicContact CD2-CD1 3.81Å; F494-L500 HydrophobicContact CD2-CG 4.46Å; F494-L500 HydrophobicContact CE2-CD1 3.97Å; F494-L500 HydrophobicContact CG-CB 4.3Å; R496-L500 PolarHBondContact O-N 3.32Å; H497-L500 PolarHBondContact O-N 2.82Å; L500-C502 VanDerWaalsContact C-N 3.33Å; L500-C502 PolarHBondContact O-N 2.83Å; L500-H503 CarbonylContact O-C 3.52Å; L500-H503 WeakPolarHBondContact O-CA 3.43Å; L500-H503 VanDerWaalsContact O-CB 3.3Å; L500-H503 WeakPolarHBondContact O-CB 3.45Å; L500-H503 PolarHBondContact O-N 2.9Å; L500-E504 HydrophobicContact CD1-CG 3.89Å; L500-E504 HydrophobicContact CG-CG 4.25Å; L500-E504 WeakPolarHBondContact O-CG 3.2Å; L500-E504 PolarHBondContact O-N 3.32Å
501R87.4Confident86.6Confident135 Ų13571.5 Ų71.551%0.50938%0.377SS..Hα-helixtrans-57.9-42.8178.9-175.6-176.1-70.2-177.4-4.8112.5H497 H503 R505H497-R501 PolarHBondContact O-N 3.12Å; R501-H503 VanDerWaalsContact C-N 3.27Å; R501-H503 PolarHBondContact O-N 3.1Å; R501-R505 PolarHBondContact O-N 3.28Å
502C86.5Confident86.4Confident46 Ų4672.2 Ų72.231%0.31137%0.372SS..Hα-helixtrans-67.5-29.5174.6-75.40000112.7T498 S499 L500 I523T498-C502 WeakPolarHBondContact O-CB 3.38Å; T498-C502 PolarHBondContact O-N 2.77Å; T498-C502 PolarHBondContact O-SG 3.3Å; T498-C502 VanDerWaalsContact O-SG 3.41Å; S499-C502 PolarHBondContact O-N 2.89Å; L500-C502 VanDerWaalsContact C-N 3.33Å; L500-C502 PolarHBondContact O-N 2.83Å; C502-I523 WeakPolarHBondContact O-CG2 3.41Å
503H87.2Confident86.2Confident18 Ų1869.8 Ų69.88%0.08336%0.36CS..Hα-helixtrans-74-42.4175.516673.2000112.3C487 C490 F494 S499 L500 R501 R505 I506 H507C487-H503 PolarHBondContact SG-NE2 2.83Å; C487-H503 VanDerWaalsContact SG-NE2 3.44Å; C490-H503 VanDerWaalsContact SG-CE1 3.56Å; C490-H503 PolarHBondContact SG-NE2 2.8Å; F494-H503 HydrophobicContact CE1-CB 3.97Å; F494-H503 HydrophobicContact CE2-CB 3.72Å; F494-H503 AromaticContact CE2-CD2 3.46Å; F494-H503 VanDerWaalsContact CE2-CD2 3.46Å; F494-H503 WeakPolarHBondContact CE2-CD2 3.2Å; F494-H503 AromaticContact CE2-CG 3.51Å; F494-H503 HydrophobicContact CZ-CB 3.34Å; F494-H503 AromaticContact CZ-CD2 3.63Å; F494-H503 AromaticContact CZ-CG 3.19Å; F494-H503 AromaticContact CZ-ND1 3.65Å; S499-H503 VanDerWaalsContact O-CB 3.3Å; S499-H503 WeakPolarHBondContact O-CB 3.36Å; S499-H503 PolarHBondContact O-N 3.12Å; L500-H503 CarbonylContact O-C 3.52Å; L500-H503 WeakPolarHBondContact O-CA 3.43Å; L500-H503 VanDerWaalsContact O-CB 3.3Å; L500-H503 WeakPolarHBondContact O-CB 3.45Å; L500-H503 PolarHBondContact O-N 2.9Å; R501-H503 VanDerWaalsContact C-N 3.27Å; R501-H503 PolarHBondContact O-N 3.1Å; H503-R505 PolarHBondContact O-N 3.21Å; H503-I506 WeakPolarHBondContact O-CB 3.4Å; H503-I506 WeakPolarHBondContact O-CG1 3.35Å; H503-I506 PolarHBondContact O-N 3.4Å; H503-H507 AromaticContact CD2-NE2 3.96Å; H503-H507 AromaticContact CE1-NE2 3.7Å; H503-H507 AromaticContact NE2-CE1 3.86Å; H503-H507 AromaticContact NE2-NE2 3.13Å; H503-H507 PolarHBondContact NE2-NE2 3.46Å; H503-H507 VanDerWaalsContact NE2-NE2 3.13Å
504E86.4Confident85.9Confident74 Ų7475.4 Ų75.435%0.34638%0.379SS..Hα-helixtrans-58.6-30.9178.6-72.9171.3155.600112.2L500 I506 H507 C508L500-E504 HydrophobicContact CD1-CG 3.89Å; L500-E504 HydrophobicContact CG-CG 4.25Å; L500-E504 WeakPolarHBondContact O-CG 3.2Å; L500-E504 PolarHBondContact O-N 3.32Å; E504-I506 PolarHBondContact O-N 3.47Å; E504-I506 VanDerWaalsContact O-N 3.14Å; E504-H507 WeakPolarHBondContact O-CB 3.32Å; E504-H507 PolarHBondContact O-N 3.2Å; E504-C508 PolarHBondContact O-N 2.59Å
505R85.8Confident85.6Confident46 Ų4673.6 Ų73.617%0.17437%0.371CS..Hα-helixtrans-60.7-19.1172-71177.3-176.2179-2.8115R501 H503 H507 C508 G509 E510 I523R501-R505 PolarHBondContact O-N 3.28Å; H503-R505 PolarHBondContact O-N 3.21Å; R505-H507 VanDerWaalsContact C-N 3.31Å; R505-C508 VanDerWaalsContact CA-SG 3.56Å; R505-G509 WeakPolarHBondContact O-CA 3.42Å; R505-G509 PolarHBondContact O-N 3.49Å; R505-G509 VanDerWaalsContact O-N 3.09Å; R505-E510 PolarHBondContact O-N 3.48Å; R505-I523 HydrophobicContact CB-CG2 3.5Å; R505-I523 HydrophobicContact CG-CG2 4.45Å; R505-I523 PolarHBondContact NH1-O 3.34Å
506I83.2Confident85.3Confident101 Ų10181.6 Ų81.652%0.51840%0.402SS..Hα-helixtrans-69.6-35.1173.2-60.4168.5000109.9H503 E504 I523H503-I506 WeakPolarHBondContact O-CB 3.4Å; H503-I506 WeakPolarHBondContact O-CG1 3.35Å; H503-I506 PolarHBondContact O-N 3.4Å; E504-I506 PolarHBondContact O-N 3.47Å; E504-I506 VanDerWaalsContact O-N 3.14Å; I506-I523 HydrophobicContact CB-CD1 4.47Å; I506-I523 HydrophobicContact CG1-CD1 3.74Å
507H80.1Confident84.5Confident74 Ų7481.8 Ų81.834%0.34341%0.409SS..Hα-helixtrans-77.7-42.8-178.6-57.5-53.5000112.4C487 Q489 H503 E504 R505 G509C487-H507 PolarHBondContact SG-NE2 3.43Å; Q489-H507 PolarHBondContact OE1-CD2 3.28Å; H503-H507 AromaticContact CD2-NE2 3.96Å; H503-H507 AromaticContact CE1-NE2 3.7Å; H503-H507 AromaticContact NE2-CE1 3.86Å; H503-H507 AromaticContact NE2-NE2 3.13Å; H503-H507 PolarHBondContact NE2-NE2 3.46Å; H503-H507 VanDerWaalsContact NE2-NE2 3.13Å; E504-H507 WeakPolarHBondContact O-CB 3.32Å; E504-H507 PolarHBondContact O-N 3.2Å; R505-H507 VanDerWaalsContact C-N 3.31Å; H507-G509 PolarHBondContact O-N 3.38Å
508C81.8Confident84Confident74 Ų7480.4 Ų80.450%0.541%0.407SS..SBendtrans-80.1-6175.262.70000113.5E504 R505 E510E504-C508 PolarHBondContact O-N 2.59Å; R505-C508 VanDerWaalsContact CA-SG 3.56Å; C508-E510 HydrophobicContact CB-CG 4.27Å; C508-E510 PolarHBondContact O-N 3.49Å; C508-E510 VanDerWaalsContact O-N 3.08Å; C508-E510 WeakPolarHBondContact SG-CG 3.49Å
509G77.8Confident83.8Confident48 Ų4879.1 Ų79.150%0.49541%0.411SS..  trans67.44.6-178.200000114.6R505 H507 K511R505-G509 WeakPolarHBondContact O-CA 3.42Å; R505-G509 PolarHBondContact O-N 3.49Å; R505-G509 VanDerWaalsContact O-N 3.09Å; H507-G509 PolarHBondContact O-N 3.38Å; G509-K511 PolarHBondContact O-N 3.17Å
510E78.2Confident83.4Confident114 Ų11483 Ų8353%0.53342%0.421SS..  trans-62.9126.4-178.4-75.5178.3-158.800111.5R505 C508 P512R505-E510 PolarHBondContact O-N 3.48Å; C508-E510 HydrophobicContact CB-CG 4.27Å; C508-E510 PolarHBondContact O-N 3.49Å; C508-E510 VanDerWaalsContact O-N 3.08Å; C508-E510 WeakPolarHBondContact SG-CG 3.49Å; E510-P512 WeakPolarHBondContact O-CD 3.39Å
511K85Confident83.1Confident111 Ų11183.3 Ų83.348%0.48343%0.428SS..  trans-121.278176.6-73.9165.8174.4179.90109.8G509 Y513 G521 F522 I523G509-K511 PolarHBondContact O-N 3.17Å; K511-Y513 PolarHBondContact O-N 3.25Å; K511-G521 WeakPolarHBondContact CD-O 3.38Å; K511-F522 CarbonylContact C-O 3.52Å; K511-F522 WeakPolarHBondContact CA-O 3.28Å; K511-I523 HydrophobicContact CG-CG1 4.07Å
512P83.7Confident83.1Confident68 Ų6878.9 Ų78.944%0.44241%0.412SS..  trans-64.3-25.9-173.5-23.935.8000113.6E510 K514E510-P512 WeakPolarHBondContact O-CD 3.39Å; P512-K514 PolarHBondContact O-N 3.06Å
513Y87.3Confident83.1Confident77 Ų7778.8 Ų78.830%0.30241%0.408SS..EExtended strand (participates in β ladder)trans-96.993.5-177.1-51.6-77.2000109.3K511 G521 F522 S525 F528K511-Y513 PolarHBondContact O-N 3.25Å; Y513-G521 CarbonylContact O-C 3.45Å; Y513-G521 WeakPolarHBondContact O-CA 3.42Å; Y513-F522 WeakPolarHBondContact CD2-O 3.32Å; Y513-F522 PolarHBondContact N-O 3.34Å; Y513-F522 PolarHBondContact O-N 3.08Å; Y513-S525 VanDerWaalsContact CD2-N 3.34Å; Y513-F528 HydrophobicContact CG-CB 4.23Å
514K85.9Confident82.9Confident151 Ų15178.7 Ų78.766%0.65741%0.41SS*.EExtended strand (participates in β ladder)trans-95.8130.6177.6-65-178.5-179.4178.80110.3P512 K516P512-K514 PolarHBondContact O-N 3.06Å; K514-K516 PolarHBondContact O-N 3.36Å
515C84.4Confident82.9Confident5 Ų578.3 Ų78.33%0.03442%0.415CS..  trans-71.2122.8171.7-172.70000110.7Q517 G519 K520 F528 H531 H535C515-Q517 VanDerWaalsContact C-N 3.26Å; C515-Q517 PolarHBondContact O-N 3.38Å; C515-Q517 PolarHBondContact SG-N 2.78Å; C515-G519 WeakPolarHBondContact O-CA 3.34Å; C515-G519 PolarHBondContact O-N 3.35Å; C515-K520 PolarHBondContact N-O 2.8Å; C515-F528 VanDerWaalsContact CA-CE2 3.4Å; C515-F528 HydrophobicContact CB-CE2 3.73Å; C515-H531 WeakPolarHBondContact CB-NE2 3.47Å; C515-H531 PolarHBondContact SG-NE2 3.19Å; C515-H535 PolarHBondContact SG-CD2 2.98Å; C515-H535 PolarHBondContact SG-NE2 3.39Å
516K82.6Confident82.7Confident213 Ų21378.8 Ų78.893%0.92643%0.426SS*.THydrogen-bonded Turntrans-65.4-30.9176.1-63.2-173.8179.5-176.20112.4K514K514-K516 PolarHBondContact O-N 3.36Å
517Q73.5Confident82.7Confident138 Ų13877.7 Ų77.765%0.64542%0.421SS*.THydrogen-bonded Turntrans-82.9-27.3-175.1-64.5-167.213.400114.7C515 H535C515-Q517 VanDerWaalsContact C-N 3.26Å; C515-Q517 PolarHBondContact O-N 3.38Å; C515-Q517 PolarHBondContact SG-N 2.78Å; Q517-H535 VanDerWaalsContact CB-CE1 3.47Å; Q517-H535 WeakPolarHBondContact CB-CE1 3.47Å; Q517-H535 WeakPolarHBondContact CB-ND1 3.29Å; Q517-H535 PolarHBondContact OE1-ND1 3.46Å
518C80.4Confident82.9Confident53 Ų5375.7 Ų75.736%0.35841%0.411SS..THydrogen-bonded Turntrans-131.94.8177.568.80000115.3K520 H531 H535C518-K520 PolarHBondContact O-N 3.07Å; C518-K520 VanDerWaalsContact SG-CB 3.59Å; C518-K520 VanDerWaalsContact SG-CG 3.55Å; C518-H531 PolarHBondContact SG-CE1 2.83Å; C518-H531 PolarHBondContact SG-NE2 3.12Å; C518-H535 PolarHBondContact SG-NE2 2.94Å
519G82.2Confident82.9Confident55 Ų5579.5 Ų79.557%0.56742%0.415SS*.  trans70.5-6.9-178.700000115.5C515 G521C515-G519 WeakPolarHBondContact O-CA 3.34Å; C515-G519 PolarHBondContact O-N 3.35Å; G519-G521 PolarHBondContact O-N 3.22Å
520K81Confident82.9Confident128 Ų12882.2 Ų82.256%0.55741%0.413SS*.  trans-62.9124.8-177.5-71.6179.1-176.6173.20111.2C515 C518 F522C515-K520 PolarHBondContact N-O 2.8Å; C518-K520 PolarHBondContact O-N 3.07Å; C518-K520 VanDerWaalsContact SG-CB 3.59Å; C518-K520 VanDerWaalsContact SG-CG 3.55Å; K520-F522 HydrophobicContact CB-CE2 3.71Å; K520-F522 HydrophobicContact CB-CZ 3.99Å; K520-F522 WeakPolarHBondContact O-CD2 3.38Å; K520-F522 VanDerWaalsContact O-CE2 3.27Å; K520-F522 WeakPolarHBondContact O-CE2 3.42Å
521G85.5Confident82.8Confident20 Ų2077.7 Ų77.721%0.20639%0.392CS..EExtended strand (participates in β ladder)trans-89.9141.1174.800000113K511 Y513 G519K511-G521 WeakPolarHBondContact CD-O 3.38Å; Y513-G521 CarbonylContact O-C 3.45Å; Y513-G521 WeakPolarHBondContact O-CA 3.42Å; G519-G521 PolarHBondContact O-N 3.22Å
522F86.1Confident82.3Confident42 Ų4276.4 Ų76.418%0.18439%0.388CS..EExtended strand (participates in β ladder)trans-126.3144.3177.8-61.1-93.3000111.2K511 Y513 K520 N527 F528 H531K511-F522 CarbonylContact C-O 3.52Å; K511-F522 WeakPolarHBondContact CA-O 3.28Å; Y513-F522 WeakPolarHBondContact CD2-O 3.32Å; Y513-F522 PolarHBondContact N-O 3.34Å; Y513-F522 PolarHBondContact O-N 3.08Å; K520-F522 HydrophobicContact CB-CE2 3.71Å; K520-F522 HydrophobicContact CB-CZ 3.99Å; K520-F522 WeakPolarHBondContact O-CD2 3.38Å; K520-F522 VanDerWaalsContact O-CE2 3.27Å; K520-F522 WeakPolarHBondContact O-CE2 3.42Å; F522-N527 HydrophobicContact CB-CB 4.45Å; F522-N527 HydrophobicContact CD1-CB 3.98Å; F522-F528 HydrophobicContact CB-CB 3.98Å; F522-F528 HydrophobicContact CD2-CB 4.2Å; F522-F528 AromaticContact CD2-CD2 3.68Å; F522-F528 HydrophobicContact CD2-CD2 3.68Å; F522-F528 HydrophobicContact CD2-CG 4.42Å; F522-F528 HydrophobicContact CE2-CD2 4.19Å; F522-F528 HydrophobicContact CG-CB 4.19Å; F522-F528 HydrophobicContact CG-CD2 4.49Å; F522-H531 HydrophobicContact CD1-CB 4.49Å; F522-H531 HydrophobicContact CD2-CB 4.5Å; F522-H531 HydrophobicContact CE1-CB 3.71Å; F522-H531 HydrophobicContact CE2-CB 3.74Å; F522-H531 AromaticContact CE2-CD2 3.11Å; F522-H531 WeakPolarHBondContact CE2-CD2 3.21Å; F522-H531 AromaticContact CE2-CG 3.35Å; F522-H531 AromaticContact CE2-NE2 3.72Å; F522-H531 HydrophobicContact CZ-CB 3.28Å; F522-H531 AromaticContact CZ-CD2 3.4Å; F522-H531 WeakPolarHBondContact CZ-CD2 3.36Å; F522-H531 AromaticContact CZ-CG 3.07Å; F522-H531 AromaticContact CZ-ND1 3.6Å; F522-H531 AromaticContact CZ-NE2 3.98Å
523I85.9Confident81.9Confident44 Ų4477.3 Ų77.323%0.22638%0.383CS..SBendtrans-73.8-33.9-179.2-65175.9000111.8C502 R505 I506 K511C502-I523 WeakPolarHBondContact O-CG2 3.41Å; R505-I523 HydrophobicContact CB-CG2 3.5Å; R505-I523 HydrophobicContact CG-CG2 4.45Å; R505-I523 PolarHBondContact NH1-O 3.34Å; I506-I523 HydrophobicContact CB-CD1 4.47Å; I506-I523 HydrophobicContact CG1-CD1 3.74Å; K511-I523 HydrophobicContact CG-CG1 4.07Å
524S84.1Confident80.9Confident16 Ų1678.1 Ų78.111%0.11240%0.396CS..SBendtrans-122.9144.3-177.579.10000111.9S526 N527 F528S524-S526 PolarHBondContact O-N 2.88Å; S524-S526 PolarHBondContact OG-OG 2.83Å; S524-N527 PolarHBondContact O-N 3.28Å; S524-N527 WeakPolarHBondContact OG-CB 3.43Å; S524-N527 VanDerWaalsContact OG-CG 3.23Å; S524-N527 PolarHBondContact OG-N 3.34Å; S524-N527 PolarHBondContact OG-ND2 3.3Å; S524-F528 PolarHBondContact O-N 3.4Å
525S85.7Confident80.1Confident66 Ų6673.6 Ų73.646%0.46238%0.377SS..Hα-helixtrans-61.4-33.5177.156.80000111.9Y513 F528 R529Y513-S525 VanDerWaalsContact CD2-N 3.34Å; S525-F528 PolarHBondContact O-N 2.82Å; S525-R529 WeakPolarHBondContact O-CB 3.31Å; S525-R529 PolarHBondContact O-N 3.05Å
526S81.9Confident79.4Confident56 Ų5676 Ų7639%0.39239%0.394SS..Hα-helixtrans-66.1-37.1177.568.10000113S524 K530S524-S526 PolarHBondContact O-N 2.88Å; S524-S526 PolarHBondContact OG-OG 2.83Å; S526-K530 VanDerWaalsContact O-CG 3.32Å; S526-K530 WeakPolarHBondContact O-CG 3.44Å; S526-K530 PolarHBondContact O-N 3.1Å; S526-K530 VanDerWaalsContact O-N 3.14Å
527N83.8Confident78.2Confident79 Ų7968.3 Ų68.342%0.42238%0.375SS..Hα-helixtrans-73.9-38.1175.1-72-9.9000110.7F522 S524 K530 H531F522-N527 HydrophobicContact CB-CB 4.45Å; F522-N527 HydrophobicContact CD1-CB 3.98Å; S524-N527 PolarHBondContact O-N 3.28Å; S524-N527 WeakPolarHBondContact OG-CB 3.43Å; S524-N527 VanDerWaalsContact OG-CG 3.23Å; S524-N527 PolarHBondContact OG-N 3.34Å; S524-N527 PolarHBondContact OG-ND2 3.3Å; N527-K530 PolarHBondContact O-N 2.81Å; N527-H531 WeakPolarHBondContact O-CB 3.46Å; N527-H531 PolarHBondContact O-N 2.94Å
528F83.6Confident77.3Confident31 Ų3168 Ų6814%0.13637%0.373CS..Hα-helixtrans-59.7-49.9172.7179.2-121.3000111.8Y513 C515 F522 S524 S525 K530 H531 E532Y513-F528 HydrophobicContact CG-CB 4.23Å; C515-F528 VanDerWaalsContact CA-CE2 3.4Å; C515-F528 HydrophobicContact CB-CE2 3.73Å; F522-F528 HydrophobicContact CB-CB 3.98Å; F522-F528 HydrophobicContact CD2-CB 4.2Å; F522-F528 AromaticContact CD2-CD2 3.68Å; F522-F528 HydrophobicContact CD2-CD2 3.68Å; F522-F528 HydrophobicContact CD2-CG 4.42Å; F522-F528 HydrophobicContact CE2-CD2 4.19Å; F522-F528 HydrophobicContact CG-CB 4.19Å; F522-F528 HydrophobicContact CG-CD2 4.49Å; S524-F528 PolarHBondContact O-N 3.4Å; S525-F528 PolarHBondContact O-N 2.82Å; F528-K530 VanDerWaalsContact C-N 3.34Å; F528-K530 PolarHBondContact O-N 3.48Å; F528-H531 CarbonylContact O-C 3.28Å; F528-H531 WeakPolarHBondContact O-CA 3.45Å; F528-H531 VanDerWaalsContact O-CB 3.29Å; F528-H531 WeakPolarHBondContact O-CB 3.43Å; F528-H531 PolarHBondContact O-N 3.15Å; F528-E532 HydrophobicContact CD1-CG 4.38Å; F528-E532 HydrophobicContact CD2-CG 4.27Å; F528-E532 HydrophobicContact CE1-CG 3.89Å; F528-E532 VanDerWaalsContact CE1-OE1 3.24Å; F528-E532 WeakPolarHBondContact CE1-OE1 3.33Å; F528-E532 WeakPolarHBondContact CE1-OE2 3.2Å; F528-E532 HydrophobicContact CE2-CG 3.71Å; F528-E532 HydrophobicContact CZ-CG 3.53Å; F528-E532 WeakPolarHBondContact CZ-OE1 3.46Å; F528-E532 PolarHBondContact O-N 3.18Å
529R82.2Confident76.2Confident154 Ų15470 Ų7058%0.58138%0.376SS*.Hα-helixtrans-58.9-42.3177.2-171.2176.171.3173.93.4112.6S525 H531 E532 W533S525-R529 WeakPolarHBondContact O-CB 3.31Å; S525-R529 PolarHBondContact O-N 3.05Å; R529-H531 PolarHBondContact O-N 2.94Å; R529-E532 PolarHBondContact O-N 3.42Å; R529-W533 HydrophobicContact CG-CZ2 4.41Å; R529-W533 PolarHBondContact O-N 2.98Å
530K77.2Confident75.4Confident106 Ų10673.9 Ų73.946%0.46138%0.379SS..Hα-helixtrans-62.8-30.9173.6-74.7175.5-176.8177.50112.5S526 N527 F528 W533S526-K530 VanDerWaalsContact O-CG 3.32Å; S526-K530 WeakPolarHBondContact O-CG 3.44Å; S526-K530 PolarHBondContact O-N 3.1Å; S526-K530 VanDerWaalsContact O-N 3.14Å; N527-K530 PolarHBondContact O-N 2.81Å; F528-K530 VanDerWaalsContact C-N 3.34Å; F528-K530 PolarHBondContact O-N 3.48Å; K530-W533 HydrophobicContact CB-CE3 4.28Å; K530-W533 HydrophobicContact CB-CZ3 4.43Å; K530-W533 HydrophobicContact CG-CE3 4.16Å; K530-W533 HydrophobicContact CG-CH2 4.34Å; K530-W533 HydrophobicContact CG-CZ3 3.81Å
531H77.3Confident75Confident18 Ų1868.7 Ų68.78%0.08336%0.359CS..Hα-helixtrans-78.5-37.6175.8164.367.9000112.4C515 C518 F522 N527 F528 R529 W533 T534 H535C515-H531 WeakPolarHBondContact CB-NE2 3.47Å; C515-H531 PolarHBondContact SG-NE2 3.19Å; C518-H531 PolarHBondContact SG-CE1 2.83Å; C518-H531 PolarHBondContact SG-NE2 3.12Å; F522-H531 HydrophobicContact CD1-CB 4.49Å; F522-H531 HydrophobicContact CD2-CB 4.5Å; F522-H531 HydrophobicContact CE1-CB 3.71Å; F522-H531 HydrophobicContact CE2-CB 3.74Å; F522-H531 AromaticContact CE2-CD2 3.11Å; F522-H531 WeakPolarHBondContact CE2-CD2 3.21Å; F522-H531 AromaticContact CE2-CG 3.35Å; F522-H531 AromaticContact CE2-NE2 3.72Å; F522-H531 HydrophobicContact CZ-CB 3.28Å; F522-H531 AromaticContact CZ-CD2 3.4Å; F522-H531 WeakPolarHBondContact CZ-CD2 3.36Å; F522-H531 AromaticContact CZ-CG 3.07Å; F522-H531 AromaticContact CZ-ND1 3.6Å; F522-H531 AromaticContact CZ-NE2 3.98Å; N527-H531 WeakPolarHBondContact O-CB 3.46Å; N527-H531 PolarHBondContact O-N 2.94Å; F528-H531 CarbonylContact O-C 3.28Å; F528-H531 WeakPolarHBondContact O-CA 3.45Å; F528-H531 VanDerWaalsContact O-CB 3.29Å; F528-H531 WeakPolarHBondContact O-CB 3.43Å; F528-H531 PolarHBondContact O-N 3.15Å; R529-H531 PolarHBondContact O-N 2.94Å; H531-W533 PolarHBondContact O-N 3.42Å; H531-W533 VanDerWaalsContact O-N 3.15Å; H531-T534 PolarHBondContact ND1-OG1 2.87Å; H531-T534 WeakPolarHBondContact O-CA 3.32Å; H531-T534 VanDerWaalsContact O-CB 3.32Å; H531-T534 WeakPolarHBondContact O-CB 3.42Å; H531-T534 PolarHBondContact O-N 2.89Å; H531-T534 PolarHBondContact O-OG1 3.26Å; H531-H535 AromaticContact CE1-CD2 3.63Å; H531-H535 AromaticContact CE1-NE2 3.27Å; H531-H535 PolarHBondContact CE1-NE2 3.35Å; H531-H535 VanDerWaalsContact CE1-NE2 3.27Å; H531-H535 AromaticContact NE2-CD2 3.49Å; H531-H535 PolarHBondContact NE2-CD2 3.42Å; H531-H535 AromaticContact NE2-NE2 3.24Å; H531-H535 PolarHBondContact NE2-NE2 3.3Å
532E75.1Confident74.3Confident85 Ų8570.8 Ų70.840%0.39737%0.368SS..Hα-helixtrans-56.4-30.4172.8-71.3-177.6123.100111.6F528 R529 T534 H535 S536F528-E532 HydrophobicContact CD1-CG 4.38Å; F528-E532 HydrophobicContact CD2-CG 4.27Å; F528-E532 HydrophobicContact CE1-CG 3.89Å; F528-E532 VanDerWaalsContact CE1-OE1 3.24Å; F528-E532 WeakPolarHBondContact CE1-OE1 3.33Å; F528-E532 WeakPolarHBondContact CE1-OE2 3.2Å; F528-E532 HydrophobicContact CE2-CG 3.71Å; F528-E532 HydrophobicContact CZ-CG 3.53Å; F528-E532 WeakPolarHBondContact CZ-OE1 3.46Å; F528-E532 PolarHBondContact O-N 3.18Å; R529-E532 PolarHBondContact O-N 3.42Å; E532-T534 PolarHBondContact O-N 3.23Å; E532-H535 VanDerWaalsContact O-CB 3.29Å; E532-H535 WeakPolarHBondContact O-CB 3.27Å; E532-H535 PolarHBondContact O-N 3.5Å; E532-S536 PolarHBondContact O-N 3.39Å
533W73.4Confident73.9Confident86 Ų8668.9 Ų68.933%0.32636%0.359SS..Hα-helixtrans-63.5-21.4171.7-58-23.1000114.7R529 K530 H531R529-W533 HydrophobicContact CG-CZ2 4.41Å; R529-W533 PolarHBondContact O-N 2.98Å; K530-W533 HydrophobicContact CB-CE3 4.28Å; K530-W533 HydrophobicContact CB-CZ3 4.43Å; K530-W533 HydrophobicContact CG-CE3 4.16Å; K530-W533 HydrophobicContact CG-CH2 4.34Å; K530-W533 HydrophobicContact CG-CZ3 3.81Å; H531-W533 PolarHBondContact O-N 3.42Å; H531-W533 VanDerWaalsContact O-N 3.15Å
534T67.9Low73.5Confident94 Ų9476.4 Ų76.458%0.57739%0.391SS*.Hα-helixtrans-74.4-20.9173.567.50000112.3H531 E532H531-T534 PolarHBondContact ND1-OG1 2.87Å; H531-T534 WeakPolarHBondContact O-CA 3.32Å; H531-T534 VanDerWaalsContact O-CB 3.32Å; H531-T534 WeakPolarHBondContact O-CB 3.42Å; H531-T534 PolarHBondContact O-N 2.89Å; H531-T534 PolarHBondContact O-OG1 3.26Å; E532-T534 PolarHBondContact O-N 3.23Å
535H69.3Low73.2Confident56 Ų5682 Ų8226%0.25942%0.418SS..Hα-helixtrans-91.7-45.4179.4-80.9-61.9000112.7C515 Q517 C518 H531 E532 G537C515-H535 PolarHBondContact SG-CD2 2.98Å; C515-H535 PolarHBondContact SG-NE2 3.39Å; Q517-H535 VanDerWaalsContact CB-CE1 3.47Å; Q517-H535 WeakPolarHBondContact CB-CE1 3.47Å; Q517-H535 WeakPolarHBondContact CB-ND1 3.29Å; Q517-H535 PolarHBondContact OE1-ND1 3.46Å; C518-H535 PolarHBondContact SG-NE2 2.94Å; H531-H535 AromaticContact CE1-CD2 3.63Å; H531-H535 AromaticContact CE1-NE2 3.27Å; H531-H535 PolarHBondContact CE1-NE2 3.35Å; H531-H535 VanDerWaalsContact CE1-NE2 3.27Å; H531-H535 AromaticContact NE2-CD2 3.49Å; H531-H535 PolarHBondContact NE2-CD2 3.42Å; H531-H535 AromaticContact NE2-NE2 3.24Å; H531-H535 PolarHBondContact NE2-NE2 3.3Å; E532-H535 VanDerWaalsContact O-CB 3.29Å; E532-H535 WeakPolarHBondContact O-CB 3.27Å; E532-H535 PolarHBondContact O-N 3.5Å; H535-G537 PolarHBondContact O-N 3.12Å; H535-G537 VanDerWaalsContact O-N 3.13Å
536S68.1Low72.8Confident57 Ų5781.4 Ų81.440%0.39941%0.413SS..SBendtrans-66.6-15.4-174.860.60000113.7E532 E538E532-S536 PolarHBondContact O-N 3.39Å; S536-E538 PolarHBondContact O-N 2.75Å
537G57.7Low72.5Confident51 Ų5180.8 Ų80.853%0.52642%0.416SS..  trans63.5-11.3-174.700000114.2H535 K539H535-G537 PolarHBondContact O-N 3.12Å; H535-G537 VanDerWaalsContact O-N 3.13Å; G537-K539 WeakPolarHBondContact O-CG 3.36Å; G537-K539 PolarHBondContact O-N 3.1Å
538E56Low72Confident130 Ų13082.9 Ų82.961%0.60742%0.421SS*.  trans-72.473.3170.9-70.3-171.9162.100109.7S536 H540S536-E538 PolarHBondContact O-N 2.75Å; E538-H540 VanDerWaalsContact C-N 3.29Å; E538-H540 PolarHBondContact O-N 2.73Å; E538-H540 PolarHBondContact O-ND1 3.21Å
539K55.7Low71.5Confident97 Ų9783.5 Ų83.542%0.42243%0.432SS..  trans-65.785.9174.2-62.4162.4171.1-171.50108.4G537 C541 V542 G547 A549G537-K539 WeakPolarHBondContact O-CG 3.36Å; G537-K539 PolarHBondContact O-N 3.1Å; K539-C541 PolarHBondContact O-N 3.24Å; K539-V542 HydrophobicContact CB-CG1 3.32Å; K539-V542 HydrophobicContact CD-CG1 3.78Å; K539-V542 HydrophobicContact CG-CG1 4.22Å; K539-V542 WeakPolarHBondContact O-CG1 3.35Å; K539-V542 PolarHBondContact O-N 3.4Å; K539-G547 PolarHBondContact NZ-O 3.02Å; K539-A549 HydrophobicContact CB-CB 3.8Å; K539-A549 HydrophobicContact CD-CB 3.3Å; K539-A549 HydrophobicContact CG-CB 3.28Å
540H65.8Low71.2Confident135 Ų13578.6 Ų78.663%0.62542%0.415SS*.THydrogen-bonded Turntrans-56.3-16.9-179.6-76.462.8000113.8E538E538-H540 VanDerWaalsContact C-N 3.29Å; E538-H540 PolarHBondContact O-N 2.73Å; E538-H540 PolarHBondContact O-ND1 3.21Å
541C72.2Confident71Confident20 Ų2078.2 Ų78.214%0.13542%0.422CS..THydrogen-bonded Turntrans-125.271.3171.9-58.10000109.9K539 F550 G552 H553 L556K539-C541 PolarHBondContact O-N 3.24Å; C541-F550 HydrophobicContact CB-CB 4.32Å; C541-F550 PolarHBondContact O-N 2.82Å; C541-G552 VanDerWaalsContact SG-C 3.57Å; C541-H553 PolarHBondContact SG-N 3.4Å; C541-H553 VanDerWaalsContact SG-N 3.37Å; C541-L556 HydrophobicContact CB-CB 3.88Å; C541-L556 HydrophobicContact CB-CD2 3.82Å; C541-L556 HydrophobicContact CB-CG 4.46Å
542V72Confident70.9Confident64 Ų6478.4 Ų78.439%0.38843%0.429SS..BIsolated β-bridgetrans-82.4140166.9-75.60000111.7K539 K544 K548 L556K539-V542 HydrophobicContact CB-CG1 3.32Å; K539-V542 HydrophobicContact CD-CG1 3.78Å; K539-V542 HydrophobicContact CG-CG1 4.22Å; K539-V542 WeakPolarHBondContact O-CG1 3.35Å; K539-V542 PolarHBondContact O-N 3.4Å; V542-K544 PolarHBondContact O-N 2.87Å; V542-K548 WeakPolarHBondContact CA-O 3.43Å; V542-L556 WeakPolarHBondContact O-CD2 3.41Å
543C78Confident71.3Confident2 Ų278.9 Ų78.91%0.01443%0.431CS..  trans-73.3119.9162.3-177.30000109.5L545 C546 G547 K548 F550 L556 H559 H563C543-L545 PolarHBondContact O-N 2.8Å; C543-C546 PolarHBondContact O-N 2.98Å; C543-G547 WeakPolarHBondContact O-CA 3.45Å; C543-G547 PolarHBondContact O-N 2.97Å; C543-K548 PolarHBondContact N-O 3.36Å; C543-F550 HydrophobicContact CB-CE2 4.35Å; C543-L556 HydrophobicContact CB-CD1 3.73Å; C543-H559 VanDerWaalsContact CB-CD2 3.47Å; C543-H559 WeakPolarHBondContact CB-CD2 3.32Å; C543-H559 VanDerWaalsContact CB-NE2 3.28Å; C543-H559 WeakPolarHBondContact CB-NE2 3.48Å; C543-H559 PolarHBondContact SG-NE2 3.42Å; C543-H559 VanDerWaalsContact SG-NE2 3.36Å; C543-H563 PolarHBondContact SG-CD2 3.16Å; C543-H563 PolarHBondContact SG-NE2 3.45Å
544K77.5Confident71.7Confident202 Ų20279.5 Ų79.588%0.87845%0.448SS*.THydrogen-bonded Turntrans-61.9-28178.4-63.6-174.9179.6-177.30112.9V542V542-K544 PolarHBondContact O-N 2.87Å
545L76.8Confident72.4Confident133 Ų13376.6 Ų76.670%0.69643%0.432SS*.THydrogen-bonded Turntrans-85.7-24.2-175.9-64.9173.3000114.4C543 H563C543-L545 PolarHBondContact O-N 2.8Å; L545-H563 HydrophobicContact CD1-CB 3.46Å; L545-H563 VanDerWaalsContact CD1-CB 3.46Å
546C78.6Confident73.1Confident53 Ų5374.5 Ų74.536%0.35842%0.423SS..THydrogen-bonded Turntrans-136.82.6-179.471.60000116C543 K548 H559 H563C543-C546 PolarHBondContact O-N 2.98Å; C546-K548 PolarHBondContact O-N 2.82Å; C546-K548 VanDerWaalsContact O-N 3.08Å; C546-K548 VanDerWaalsContact SG-CG 3.6Å; C546-H559 PolarHBondContact SG-CE1 3.13Å; C546-H559 PolarHBondContact SG-NE2 3.34Å; C546-H563 PolarHBondContact SG-NE2 3.25Å
547G74.9Confident73.9Confident43 Ų4378.3 Ų78.344%0.44343%0.428SS..  trans69.43.6177.800000115.6K539 C543K539-G547 PolarHBondContact NZ-O 3.02Å; C543-G547 WeakPolarHBondContact O-CA 3.45Å; C543-G547 PolarHBondContact O-N 2.97Å
548K73.6Confident75.3Confident123 Ų12381.6 Ų81.654%0.53543%0.425SS..  trans-67.8137.6177.7-71.5-176.2-173.1177.90111.1V542 C543 C546 F550V542-K548 WeakPolarHBondContact CA-O 3.43Å; C543-K548 PolarHBondContact N-O 3.36Å; C546-K548 PolarHBondContact O-N 2.82Å; C546-K548 VanDerWaalsContact O-N 3.08Å; C546-K548 VanDerWaalsContact SG-CG 3.6Å; K548-F550 HydrophobicContact CB-CE2 3.78Å; K548-F550 HydrophobicContact CB-CZ 3.83Å; K548-F550 WeakPolarHBondContact O-CE2 3.22Å
549A72.5Confident76.7Confident45 Ų4576.1 Ų76.137%0.37240%0.399SS..BIsolated β-bridgetrans-89.7146.6177.300000112.5K539K539-A549 HydrophobicContact CB-CB 3.8Å; K539-A549 HydrophobicContact CD-CB 3.3Å; K539-A549 HydrophobicContact CG-CB 3.28Å
550F74.8Confident78.1Confident50 Ų5074.5 Ų74.522%0.21939%0.393CS..  trans-130.5147.3169.2-59.9-83.7000111.1C541 C543 K548 G552 L556 H559C541-F550 HydrophobicContact CB-CB 4.32Å; C541-F550 PolarHBondContact O-N 2.82Å; C543-F550 HydrophobicContact CB-CE2 4.35Å; K548-F550 HydrophobicContact CB-CE2 3.78Å; K548-F550 HydrophobicContact CB-CZ 3.83Å; K548-F550 WeakPolarHBondContact O-CE2 3.22Å; F550-G552 PolarHBondContact O-N 3.36Å; F550-G552 VanDerWaalsContact O-N 3.12Å; F550-L556 HydrophobicContact CB-CB 4.07Å; F550-L556 HydrophobicContact CD2-CB 3.83Å; F550-L556 HydrophobicContact CD2-CD1 3.64Å; F550-L556 HydrophobicContact CD2-CG 4.36Å; F550-L556 HydrophobicContact CE2-CD1 3.94Å; F550-L556 HydrophobicContact CG-CB 4.11Å; F550-H559 HydrophobicContact CD1-CB 4.3Å; F550-H559 HydrophobicContact CD2-CB 4.42Å; F550-H559 HydrophobicContact CE1-CB 3.56Å; F550-H559 AromaticContact CE1-CG 3.8Å; F550-H559 HydrophobicContact CE2-CB 3.72Å; F550-H559 AromaticContact CE2-CD2 3.22Å; F550-H559 WeakPolarHBondContact CE2-CD2 3.41Å; F550-H559 AromaticContact CE2-CG 3.38Å; F550-H559 AromaticContact CE2-NE2 3.85Å; F550-H559 HydrophobicContact CZ-CB 3.26Å; F550-H559 AromaticContact CZ-CD2 3.35Å; F550-H559 WeakPolarHBondContact CZ-CD2 3.36Å; F550-H559 AromaticContact CZ-CE1 3.93Å; F550-H559 AromaticContact CZ-CG 2.99Å; F550-H559 AromaticContact CZ-ND1 3.4Å; F550-H559 WeakPolarHBondContact CZ-ND1 3.38Å; F550-H559 AromaticContact CZ-NE2 3.88Å
551T73.3Confident79.1Confident98 Ų9870.9 Ų70.960%0.60137%0.374SS*.SBendtrans-69.3-3.1177.651.80000113.8
552G76.5Confident79.7Confident23 Ų2375.4 Ų75.424%0.23740%0.396CS..SBendtrans-176.7163.4176.800000113C541 F550 S554 S555 L556C541-G552 VanDerWaalsContact SG-C 3.57Å; F550-G552 PolarHBondContact O-N 3.36Å; F550-G552 VanDerWaalsContact O-N 3.12Å; G552-S554 PolarHBondContact O-N 3.13Å; G552-S555 WeakPolarHBondContact O-CB 3.42Å; G552-S555 PolarHBondContact O-N 3.27Å; G552-S555 VanDerWaalsContact O-N 3.13Å; G552-L556 PolarHBondContact O-N 2.82Å; G552-L556 VanDerWaalsContact O-N 3.13Å
553H82Confident80.2Confident95 Ų9576 Ų7644%0.4439%0.394SS..Hα-helixtrans-63.2-37-172.7-175.6-99.5000113.5C541 S555 L556 R557C541-H553 PolarHBondContact SG-N 3.4Å; C541-H553 VanDerWaalsContact SG-N 3.37Å; H553-S555 VanDerWaalsContact C-N 3.29Å; H553-S555 PolarHBondContact O-N 3.16Å; H553-L556 PolarHBondContact O-N 3.15Å; H553-R557 PolarHBondContact CE1-NE 3.36Å; H553-R557 PolarHBondContact CE1-NH1 3.49Å; H553-R557 PolarHBondContact CE1-NH2 3.37Å; H553-R557 VanDerWaalsContact CE1-NH2 3.34Å; H553-R557 PolarHBondContact NE2-NH1 3.05Å; H553-R557 WeakPolarHBondContact O-CB 3.45Å; H553-R557 WeakPolarHBondContact O-CG 3.48Å; H553-R557 PolarHBondContact O-N 3.39Å
554S82.7Confident80.6Confident98 Ų9879.1 Ų79.169%0.68542%0.416SS*.Hα-helixtrans-64.6-33.9176.3-46.40000112.7G552 R558G552-S554 PolarHBondContact O-N 3.13Å; S554-R558 WeakPolarHBondContact O-CB 3.27Å; S554-R558 PolarHBondContact O-N 3.3Å
555S83.1Confident80.8Confident33 Ų3371.8 Ų71.823%0.23140%0.398CS..Hα-helixtrans-71.6-38.7175.7-68.50000111.4G552 H553 H559G552-S555 WeakPolarHBondContact O-CB 3.42Å; G552-S555 PolarHBondContact O-N 3.27Å; G552-S555 VanDerWaalsContact O-N 3.13Å; H553-S555 VanDerWaalsContact C-N 3.29Å; H553-S555 PolarHBondContact O-N 3.16Å; S555-H559 WeakPolarHBondContact O-CB 3.47Å; S555-H559 PolarHBondContact O-N 2.91Å
556L83.5Confident81.2Confident12 Ų1270.9 Ų70.96%0.06339%0.39CS..Hα-helixtrans-63.8-53.6172.2171.262000111.3C541 V542 C543 F550 G552 H553 R558 H559 E560C541-L556 HydrophobicContact CB-CB 3.88Å; C541-L556 HydrophobicContact CB-CD2 3.82Å; C541-L556 HydrophobicContact CB-CG 4.46Å; V542-L556 WeakPolarHBondContact O-CD2 3.41Å; C543-L556 HydrophobicContact CB-CD1 3.73Å; F550-L556 HydrophobicContact CB-CB 4.07Å; F550-L556 HydrophobicContact CD2-CB 3.83Å; F550-L556 HydrophobicContact CD2-CD1 3.64Å; F550-L556 HydrophobicContact CD2-CG 4.36Å; F550-L556 HydrophobicContact CE2-CD1 3.94Å; F550-L556 HydrophobicContact CG-CB 4.11Å; G552-L556 PolarHBondContact O-N 2.82Å; G552-L556 VanDerWaalsContact O-N 3.13Å; H553-L556 PolarHBondContact O-N 3.15Å; L556-R558 VanDerWaalsContact C-N 3.26Å; L556-R558 PolarHBondContact O-N 3.49Å; L556-H559 CarbonylContact O-C 3.52Å; L556-H559 VanDerWaalsContact O-CA 3.31Å; L556-H559 WeakPolarHBondContact O-CA 3.47Å; L556-H559 VanDerWaalsContact O-CB 3.31Å; L556-H559 WeakPolarHBondContact O-CB 3.17Å; L556-H559 PolarHBondContact O-N 2.85Å; L556-E560 HydrophobicContact CD1-CG 3.94Å; L556-E560 HydrophobicContact CG-CG 4.23Å; L556-E560 WeakPolarHBondContact O-CG 3.44Å; L556-E560 PolarHBondContact O-N 3.13Å
557R85.6Confident81.6Confident138 Ų13874.4 Ų74.452%0.52140%0.399SS..Hα-helixtrans-51.2-44.8175.6-79.5-83.2-154-970.5112.3H553 H559 E560H553-R557 PolarHBondContact CE1-NE 3.36Å; H553-R557 PolarHBondContact CE1-NH1 3.49Å; H553-R557 PolarHBondContact CE1-NH2 3.37Å; H553-R557 VanDerWaalsContact CE1-NH2 3.34Å; H553-R557 PolarHBondContact NE2-NH1 3.05Å; H553-R557 WeakPolarHBondContact O-CB 3.45Å; H553-R557 WeakPolarHBondContact O-CG 3.48Å; H553-R557 PolarHBondContact O-N 3.39Å; R557-H559 VanDerWaalsContact C-N 3.29Å; R557-H559 PolarHBondContact O-N 3.3Å; R557-E560 PolarHBondContact O-N 3.31Å
558R86.7Confident82.2Confident120 Ų12075.7 Ų75.745%0.45340%0.4SS..Hα-helixtrans-65.3-34.1175.5-179.117962.2-175.4-1.1112.3S554 L556 R561S554-R558 WeakPolarHBondContact O-CB 3.27Å; S554-R558 PolarHBondContact O-N 3.3Å; L556-R558 VanDerWaalsContact C-N 3.26Å; L556-R558 PolarHBondContact O-N 3.49Å; R558-R561 WeakPolarHBondContact O-CB 3.39Å
559H84.5Confident82.9Confident15 Ų1573.8 Ų73.87%0.06939%0.39CS..Hα-helixtrans-74.5-37.7176161.277.3000112.7C543 C546 F550 S555 L556 R557 R561 I562 H563C543-H559 VanDerWaalsContact CB-CD2 3.47Å; C543-H559 WeakPolarHBondContact CB-CD2 3.32Å; C543-H559 VanDerWaalsContact CB-NE2 3.28Å; C543-H559 WeakPolarHBondContact CB-NE2 3.48Å; C543-H559 PolarHBondContact SG-NE2 3.42Å; C543-H559 VanDerWaalsContact SG-NE2 3.36Å; C546-H559 PolarHBondContact SG-CE1 3.13Å; C546-H559 PolarHBondContact SG-NE2 3.34Å; F550-H559 HydrophobicContact CD1-CB 4.3Å; F550-H559 HydrophobicContact CD2-CB 4.42Å; F550-H559 HydrophobicContact CE1-CB 3.56Å; F550-H559 AromaticContact CE1-CG 3.8Å; F550-H559 HydrophobicContact CE2-CB 3.72Å; F550-H559 AromaticContact CE2-CD2 3.22Å; F550-H559 WeakPolarHBondContact CE2-CD2 3.41Å; F550-H559 AromaticContact CE2-CG 3.38Å; F550-H559 AromaticContact CE2-NE2 3.85Å; F550-H559 HydrophobicContact CZ-CB 3.26Å; F550-H559 AromaticContact CZ-CD2 3.35Å; F550-H559 WeakPolarHBondContact CZ-CD2 3.36Å; F550-H559 AromaticContact CZ-CE1 3.93Å; F550-H559 AromaticContact CZ-CG 2.99Å; F550-H559 AromaticContact CZ-ND1 3.4Å; F550-H559 WeakPolarHBondContact CZ-ND1 3.38Å; F550-H559 AromaticContact CZ-NE2 3.88Å; S555-H559 WeakPolarHBondContact O-CB 3.47Å; S555-H559 PolarHBondContact O-N 2.91Å; L556-H559 CarbonylContact O-C 3.52Å; L556-H559 VanDerWaalsContact O-CA 3.31Å; L556-H559 WeakPolarHBondContact O-CA 3.47Å; L556-H559 VanDerWaalsContact O-CB 3.31Å; L556-H559 WeakPolarHBondContact O-CB 3.17Å; L556-H559 PolarHBondContact O-N 2.85Å; R557-H559 VanDerWaalsContact C-N 3.29Å; R557-H559 PolarHBondContact O-N 3.3Å; H559-R561 PolarHBondContact O-N 2.77Å; H559-R561 VanDerWaalsContact O-N 3.12Å; H559-I562 VanDerWaalsContact O-CB 3.23Å; H559-I562 WeakPolarHBondContact O-CB 3.45Å; H559-I562 WeakPolarHBondContact O-CG1 3.31Å; H559-I562 PolarHBondContact O-N 2.96Å; H559-H563 AromaticContact CE1-NE2 3.77Å; H559-H563 AromaticContact NE2-CD2 3.89Å; H559-H563 AromaticContact NE2-NE2 3.41Å; H559-H563 PolarHBondContact NE2-NE2 3.21Å
560E86Confident83.6Confident62 Ų6275.6 Ų75.629%0.2940%0.396SS..Hα-helixtrans-56.3-28.4177-72.9172.2156.300111.8L556 R557 I562 H563 S564L556-E560 HydrophobicContact CD1-CG 3.94Å; L556-E560 HydrophobicContact CG-CG 4.23Å; L556-E560 WeakPolarHBondContact O-CG 3.44Å; L556-E560 PolarHBondContact O-N 3.13Å; R557-E560 PolarHBondContact O-N 3.31Å; E560-I562 PolarHBondContact O-N 3.46Å; E560-I562 VanDerWaalsContact O-N 3.13Å; E560-H563 WeakPolarHBondContact O-CA 3.43Å; E560-H563 WeakPolarHBondContact O-CB 3.37Å; E560-H563 PolarHBondContact O-N 2.9Å; E560-S564 PolarHBondContact O-N 3.33Å
561R87.3Confident84.2Confident59 Ų5973.2 Ų73.222%0.22339%0.386CS..Hα-helixtrans-58.7-20.7171-63.7175.1-172.6-165.7-9.6114.8R558 H559 H563 S564 G565 E566 S579R558-R561 WeakPolarHBondContact O-CB 3.39Å; H559-R561 PolarHBondContact O-N 2.77Å; H559-R561 VanDerWaalsContact O-N 3.12Å; R561-H563 VanDerWaalsContact C-N 3.31Å; R561-S564 WeakPolarHBondContact CA-OG 3.42Å; R561-G565 CarbonylContact O-C 3.51Å; R561-G565 WeakPolarHBondContact O-CA 3.48Å; R561-G565 PolarHBondContact O-N 2.94Å; R561-E566 WeakPolarHBondContact CB-O 3.43Å; R561-E566 HydrophobicContact CG-CB 4.33Å; R561-E566 PolarHBondContact O-N 2.91Å; R561-S579 WeakPolarHBondContact CD-O 3.42Å; R561-S579 PolarHBondContact NH1-O 3.02Å
562I83.1Confident84.7Confident115 Ų11577.6 Ų77.659%0.5940%0.397SS*.Hα-helixtrans-71.1-32.8173-63.1167.5000110.2H559 E560H559-I562 VanDerWaalsContact O-CB 3.23Å; H559-I562 WeakPolarHBondContact O-CB 3.45Å; H559-I562 WeakPolarHBondContact O-CG1 3.31Å; H559-I562 PolarHBondContact O-N 2.96Å; E560-I562 PolarHBondContact O-N 3.46Å; E560-I562 VanDerWaalsContact O-N 3.13Å
563H83.7Confident84.9Confident76 Ų7682.9 Ų82.935%0.35242%0.415SS..Hα-helixtrans-82.1-44.2177.1-64.1-65.2000112.3C543 L545 C546 H559 E560 R561 G565C543-H563 PolarHBondContact SG-CD2 3.16Å; C543-H563 PolarHBondContact SG-NE2 3.45Å; L545-H563 HydrophobicContact CD1-CB 3.46Å; L545-H563 VanDerWaalsContact CD1-CB 3.46Å; C546-H563 PolarHBondContact SG-NE2 3.25Å; H559-H563 AromaticContact CE1-NE2 3.77Å; H559-H563 AromaticContact NE2-CD2 3.89Å; H559-H563 AromaticContact NE2-NE2 3.41Å; H559-H563 PolarHBondContact NE2-NE2 3.21Å; E560-H563 WeakPolarHBondContact O-CA 3.43Å; E560-H563 WeakPolarHBondContact O-CB 3.37Å; E560-H563 PolarHBondContact O-N 2.9Å; R561-H563 VanDerWaalsContact C-N 3.31Å; H563-G565 PolarHBondContact O-N 3.14Å
564S85.7Confident85.1Confident68 Ų6880.8 Ų80.848%0.47641%0.411SS..Hα-helixtrans-74.5-16.3177.465.10000113.2E560 R561 E566E560-S564 PolarHBondContact O-N 3.33Å; R561-S564 WeakPolarHBondContact CA-OG 3.42Å; S564-E566 PolarHBondContact O-N 3.05Å; S564-E566 WeakPolarHBondContact OG-CB 3.2Å; S564-E566 WeakPolarHBondContact OG-CG 3.27Å; S564-E566 PolarHBondContact OG-N 2.81Å; S564-E566 PolarHBondContact OG-OE1 3.43Å
565G81.9Confident85.2Confident49 Ų4978.6 Ų78.651%0.50540%0.403SS..  trans72.50.8-173.500000113.7R561 H563 K567R561-G565 CarbonylContact O-C 3.51Å; R561-G565 WeakPolarHBondContact O-CA 3.48Å; R561-G565 PolarHBondContact O-N 2.94Å; H563-G565 PolarHBondContact O-N 3.14Å; G565-K567 PolarHBondContact O-N 3.02Å
566E84.8Confident85.3Confident113 Ų11383 Ų8353%0.52842%0.418SS..  trans-61127.1-178.2-76.9171.9-142.300111.9R561 S564 P568R561-E566 WeakPolarHBondContact CB-O 3.43Å; R561-E566 HydrophobicContact CG-CB 4.33Å; R561-E566 PolarHBondContact O-N 2.91Å; S564-E566 PolarHBondContact O-N 3.05Å; S564-E566 WeakPolarHBondContact OG-CB 3.2Å; S564-E566 WeakPolarHBondContact OG-CG 3.27Å; S564-E566 PolarHBondContact OG-N 2.81Å; S564-E566 PolarHBondContact OG-OE1 3.43Å; E566-P568 WeakPolarHBondContact O-CD 3.48Å
567K88.2Confident85.4Confident127 Ų12783.4 Ų83.455%0.55243%0.425SS*.  trans-126.173.8178.3-75.8166.5169.9-172.20110.1G565 Y569 G577 F578G565-K567 PolarHBondContact O-N 3.02Å; K567-Y569 PolarHBondContact O-N 2.88Å; K567-Y569 VanDerWaalsContact O-N 3.14Å; K567-G577 VanDerWaalsContact CD-O 3.27Å; K567-G577 WeakPolarHBondContact CD-O 3.39Å; K567-F578 CarbonylContact C-O 3.54Å; K567-F578 WeakPolarHBondContact CA-O 3.26Å
568P86Confident85.5Confident71 Ų7179 Ų7946%0.46141%0.41SS..  trans-65-20.7-172.9-22.635.1000114.1E566E566-P568 WeakPolarHBondContact O-CD 3.48Å
569Y88.9Confident85.5Confident82 Ų8275.3 Ų75.332%0.32240%0.402SS..EExtended strand (participates in β ladder)trans-100.4102.5-177.6-54.8-74.3000109.3K567 G577 F578 L581K567-Y569 PolarHBondContact O-N 2.88Å; K567-Y569 VanDerWaalsContact O-N 3.14Å; Y569-G577 CarbonylContact O-C 3.58Å; Y569-G577 WeakPolarHBondContact O-CA 3.36Å; Y569-F578 PolarHBondContact N-O 2.64Å; Y569-F578 PolarHBondContact O-N 3.23Å; Y569-L581 HydrophobicContact CD1-CB 3.92Å; Y569-L581 HydrophobicContact CD1-CD1 3.82Å; Y569-L581 HydrophobicContact CD1-CG 4.46Å; Y569-L581 HydrophobicContact CD2-CB 4.43Å; Y569-L581 HydrophobicContact CE1-CB 3.7Å; Y569-L581 HydrophobicContact CE1-CD1 4.1Å; Y569-L581 HydrophobicContact CE1-CG 4.37Å; Y569-L581 HydrophobicContact CE2-CB 4.18Å; Y569-L581 HydrophobicContact CG-CB 4.27Å
570V86.6Confident85.6Confident83 Ų8375.8 Ų75.850%0.50341%0.407SS..EExtended strand (participates in β ladder)trans-100130.4-179.1-177.10000109.3K572 G575V570-K572 PolarHBondContact O-N 3.38Å; V570-G575 WeakPolarHBondContact CG1-O 3.19Å
571C88.2Confident85.7Confident1 Ų176.9 Ų76.91%0.00742%0.415CS..  trans-66.6125.9173.2179.90000110.1H573 G575 K576 F578 H587C571-H573 PolarHBondContact O-N 3.25Å; C571-G575 WeakPolarHBondContact O-CA 3.44Å; C571-G575 PolarHBondContact O-N 3.23Å; C571-K576 PolarHBondContact N-O 3.42Å; C571-F578 HydrophobicContact CB-CE2 4.28Å; C571-H587 VanDerWaalsContact SG-CD2 3.59Å
572K83.6Confident85.6Confident190 Ų19077.5 Ų77.583%0.82643%0.428SS*.THydrogen-bonded Turntrans-63.3-28.4-179.3-62.4-177.1179.8-1780113.6V570V570-K572 PolarHBondContact O-N 3.38Å
573H81.4Confident85.7Confident133 Ų13372.4 Ų72.462%0.61640%0.404SS*.THydrogen-bonded Turntrans-88.7-28.6-173.8-66.1-76.2000114.6C571 H591C571-H573 PolarHBondContact O-N 3.25Å; H573-H591 HydrophobicContact CB-CB 4.24Å
574C85.7Confident85.8Confident52 Ų5269 Ų6935%0.35139%0.388SS..THydrogen-bonded Turntrans-133.33.7-177.5700000115.2K576 H587 H591C574-K576 PolarHBondContact O-N 3.37Å; C574-K576 VanDerWaalsContact O-N 3.09Å; C574-K576 VanDerWaalsContact SG-CG 3.55Å; C574-H587 PolarHBondContact SG-NE2 3.41Å; C574-H591 PolarHBondContact SG-NE2 3.37Å
575G84.3Confident85.8Confident51 Ų5170.7 Ų70.753%0.52639%0.389SS..  trans68.84.5179.800000115V570 C571 G577V570-G575 WeakPolarHBondContact CG1-O 3.19Å; C571-G575 WeakPolarHBondContact O-CA 3.44Å; C571-G575 PolarHBondContact O-N 3.23Å; G575-G577 PolarHBondContact O-N 2.91Å
576K84.6Confident85.9Confident126 Ų12674.6 Ų74.655%0.54839%0.388SS..  trans-68.1123.8178-74.4-179.8-174.3173.90110.8C571 C574 F578C571-K576 PolarHBondContact N-O 3.42Å; C574-K576 PolarHBondContact O-N 3.37Å; C574-K576 VanDerWaalsContact O-N 3.09Å; C574-K576 VanDerWaalsContact SG-CG 3.55Å; K576-F578 HydrophobicContact CB-CE2 3.88Å; K576-F578 HydrophobicContact CB-CZ 4.18Å; K576-F578 VanDerWaalsContact O-CD2 3.29Å; K576-F578 WeakPolarHBondContact O-CD2 3.43Å; K576-F578 WeakPolarHBondContact O-CE2 3.42Å
577G86.7Confident85.9Confident20 Ų2070.1 Ų70.121%0.20637%0.367CS..EExtended strand (participates in β ladder)trans-84.3142.9175.200000114K567 Y569 G575K567-G577 VanDerWaalsContact CD-O 3.27Å; K567-G577 WeakPolarHBondContact CD-O 3.39Å; Y569-G577 CarbonylContact O-C 3.58Å; Y569-G577 WeakPolarHBondContact O-CA 3.36Å; G575-G577 PolarHBondContact O-N 2.91Å
578F87.4Confident85.7Confident47 Ų4766.7 Ų66.721%0.20635%0.353CS..EExtended strand (participates in β ladder)trans-127.4145.3178.2-63.2-90.4000111.6K567 Y569 C571 K576 S580 C584 H587K567-F578 CarbonylContact C-O 3.54Å; K567-F578 WeakPolarHBondContact CA-O 3.26Å; Y569-F578 PolarHBondContact N-O 2.64Å; Y569-F578 PolarHBondContact O-N 3.23Å; C571-F578 HydrophobicContact CB-CE2 4.28Å; K576-F578 HydrophobicContact CB-CE2 3.88Å; K576-F578 HydrophobicContact CB-CZ 4.18Å; K576-F578 VanDerWaalsContact O-CD2 3.29Å; K576-F578 WeakPolarHBondContact O-CD2 3.43Å; K576-F578 WeakPolarHBondContact O-CE2 3.42Å; F578-S580 VanDerWaalsContact C-N 3.28Å; F578-S580 PolarHBondContact O-N 3.35Å; F578-C584 HydrophobicContact CB-CB 4.08Å; F578-C584 HydrophobicContact CD2-CB 3.74Å; F578-C584 HydrophobicContact CG-CB 4.03Å; F578-H587 HydrophobicContact CE1-CB 3.73Å; F578-H587 HydrophobicContact CE2-CB 3.82Å; F578-H587 AromaticContact CE2-CD2 3.29Å; F578-H587 WeakPolarHBondContact CE2-CD2 3.33Å; F578-H587 AromaticContact CE2-CG 3.58Å; F578-H587 HydrophobicContact CZ-CB 3.27Å; F578-H587 AromaticContact CZ-CD2 3.35Å; F578-H587 WeakPolarHBondContact CZ-CD2 3.14Å; F578-H587 AromaticContact CZ-CG 3.12Å; F578-H587 AromaticContact CZ-ND1 3.73Å
579S86.5Confident85.6Confident42 Ų4265.2 Ų65.229%0.29434%0.34SS..SBendtrans-76.2-13.9175.458.60000113.2R561R561-S579 WeakPolarHBondContact CD-O 3.42Å; R561-S579 PolarHBondContact NH1-O 3.02Å
580S86.8Confident85.2Confident24 Ų2467 Ų6717%0.16835%0.354CS..SBendtrans-139.8143.2178.969.60000113.2F578 S582 G583 C584F578-S580 VanDerWaalsContact C-N 3.28Å; F578-S580 PolarHBondContact O-N 3.35Å; S580-S582 PolarHBondContact O-N 2.8Å; S580-G583 WeakPolarHBondContact O-CA 3.3Å; S580-G583 PolarHBondContact O-N 3.4Å; S580-G583 PolarHBondContact OG-N 3.11Å; S580-C584 PolarHBondContact O-N 3.39Å; S580-C584 VanDerWaalsContact O-N 3.14Å
581L87.9Confident85Confident86 Ų8666.9 Ų66.945%0.4535%0.348SS..Hα-helixtrans-57.4-46.5179.4-179.861.1000112.1Y569 G583 C584 Q585Y569-L581 HydrophobicContact CD1-CB 3.92Å; Y569-L581 HydrophobicContact CD1-CD1 3.82Å; Y569-L581 HydrophobicContact CD1-CG 4.46Å; Y569-L581 HydrophobicContact CD2-CB 4.43Å; Y569-L581 HydrophobicContact CE1-CB 3.7Å; Y569-L581 HydrophobicContact CE1-CD1 4.1Å; Y569-L581 HydrophobicContact CE1-CG 4.37Å; Y569-L581 HydrophobicContact CE2-CB 4.18Å; Y569-L581 HydrophobicContact CG-CB 4.27Å; L581-G583 PolarHBondContact O-N 3.44Å; L581-G583 VanDerWaalsContact O-N 3.16Å; L581-C584 WeakPolarHBondContact O-CA 3.49Å; L581-C584 WeakPolarHBondContact O-CB 3.29Å; L581-C584 PolarHBondContact O-N 2.6Å; L581-Q585 HydrophobicContact CD1-CG 4.25Å; L581-Q585 HydrophobicContact CG-CG 4.32Å; L581-Q585 WeakPolarHBondContact O-CG 3.32Å; L581-Q585 PolarHBondContact O-N 3.39Å
582S84.8Confident84.8Confident71 Ų7170.4 Ų70.450%0.49737%0.37SS..Hα-helixtrans-61.6-24.217657.10000113.6S580 R586S580-S582 PolarHBondContact O-N 2.8Å; S582-R586 VanDerWaalsContact O-CB 3.26Å; S582-R586 WeakPolarHBondContact O-CB 3.38Å; S582-R586 PolarHBondContact O-N 2.79Å
583G85.7Confident84.5Confident8 Ų863.7 Ų63.78%0.08235%0.354CS..Hα-helixtrans-74.4-41.7174.300000111.2S580 L581 H587S580-G583 WeakPolarHBondContact O-CA 3.3Å; S580-G583 PolarHBondContact O-N 3.4Å; S580-G583 PolarHBondContact OG-N 3.11Å; L581-G583 PolarHBondContact O-N 3.44Å; L581-G583 VanDerWaalsContact O-N 3.16Å; G583-H587 WeakPolarHBondContact O-CB 3.17Å; G583-H587 PolarHBondContact O-N 3.16Å; G583-H587 VanDerWaalsContact O-N 3.07Å
584C85.9Confident84.5Confident4 Ų462.9 Ų62.93%0.02735%0.351CS..Hα-helixtrans-65.4-50.4174.2-165.80000111.5F578 S580 L581 R586 H587 E588F578-C584 HydrophobicContact CB-CB 4.08Å; F578-C584 HydrophobicContact CD2-CB 3.74Å; F578-C584 HydrophobicContact CG-CB 4.03Å; S580-C584 PolarHBondContact O-N 3.39Å; S580-C584 VanDerWaalsContact O-N 3.14Å; L581-C584 WeakPolarHBondContact O-CA 3.49Å; L581-C584 WeakPolarHBondContact O-CB 3.29Å; L581-C584 PolarHBondContact O-N 2.6Å; C584-R586 VanDerWaalsContact C-N 3.35Å; C584-R586 PolarHBondContact O-N 3.16Å; C584-H587 CarbonylContact O-C 3.27Å; C584-H587 WeakPolarHBondContact O-CA 3.26Å; C584-H587 WeakPolarHBondContact O-CB 3.38Å; C584-H587 PolarHBondContact O-N 3.49Å; C584-E588 WeakPolarHBondContact O-CG 3.47Å; C584-E588 PolarHBondContact O-N 3.36Å
585Q86Confident84.4Confident105 Ų10565.9 Ų65.949%0.49136%0.358SS..Hα-helixtrans-58.3-44.1178.5-71.4174.5-35.900112.4L581 H587 E588 Q589L581-Q585 HydrophobicContact CD1-CG 4.25Å; L581-Q585 HydrophobicContact CG-CG 4.32Å; L581-Q585 WeakPolarHBondContact O-CG 3.32Å; L581-Q585 PolarHBondContact O-N 3.39Å; Q585-H587 PolarHBondContact O-N 3.1Å; Q585-E588 PolarHBondContact O-N 2.87Å; Q585-Q589 PolarHBondContact O-N 2.8Å
586R84.7Confident84.3Confident130 Ų13067 Ų6749%0.49136%0.355SS..Hα-helixtrans-66.9-27.9174.9-176176.461.1-179.7-0.5112.6S582 C584 Q589S582-R586 VanDerWaalsContact O-CB 3.26Å; S582-R586 WeakPolarHBondContact O-CB 3.38Å; S582-R586 PolarHBondContact O-N 2.79Å; C584-R586 VanDerWaalsContact C-N 3.35Å; C584-R586 PolarHBondContact O-N 3.16Å; R586-Q589 WeakPolarHBondContact O-CB 3.43Å
587H84.7Confident84.4Confident19 Ų1963.7 Ų63.79%0.08834%0.342CS..Hα-helixtrans-76.1-36.7174.8163.570.5000112C571 C574 F578 G583 C584 Q585 Q589 I590 H591C571-H587 VanDerWaalsContact SG-CD2 3.59Å; C574-H587 PolarHBondContact SG-NE2 3.41Å; F578-H587 HydrophobicContact CE1-CB 3.73Å; F578-H587 HydrophobicContact CE2-CB 3.82Å; F578-H587 AromaticContact CE2-CD2 3.29Å; F578-H587 WeakPolarHBondContact CE2-CD2 3.33Å; F578-H587 AromaticContact CE2-CG 3.58Å; F578-H587 HydrophobicContact CZ-CB 3.27Å; F578-H587 AromaticContact CZ-CD2 3.35Å; F578-H587 WeakPolarHBondContact CZ-CD2 3.14Å; F578-H587 AromaticContact CZ-CG 3.12Å; F578-H587 AromaticContact CZ-ND1 3.73Å; G583-H587 WeakPolarHBondContact O-CB 3.17Å; G583-H587 PolarHBondContact O-N 3.16Å; G583-H587 VanDerWaalsContact O-N 3.07Å; C584-H587 CarbonylContact O-C 3.27Å; C584-H587 WeakPolarHBondContact O-CA 3.26Å; C584-H587 WeakPolarHBondContact O-CB 3.38Å; C584-H587 PolarHBondContact O-N 3.49Å; Q585-H587 PolarHBondContact O-N 3.1Å; H587-Q589 PolarHBondContact O-N 3.45Å; H587-I590 VanDerWaalsContact O-CB 3.26Å; H587-I590 WeakPolarHBondContact O-CB 3.12Å; H587-I590 WeakPolarHBondContact O-CG1 3.13Å; H587-I590 PolarHBondContact O-N 3.16Å; H587-H591 AromaticContact CE1-NE2 3.82Å; H587-H591 AromaticContact NE2-CD2 3.97Å; H587-H591 AromaticContact NE2-NE2 3.5Å; H587-H591 PolarHBondContact NE2-NE2 3.44Å
588E84.2Confident84.4Confident56 Ų5666.5 Ų66.526%0.26236%0.355SS..Hα-helixtrans-58.5-27.8175.8-73.8168.7170.500112.3C584 Q585 I590 H591 T592C584-E588 WeakPolarHBondContact O-CG 3.47Å; C584-E588 PolarHBondContact O-N 3.36Å; Q585-E588 PolarHBondContact O-N 2.87Å; E588-I590 PolarHBondContact O-N 2.92Å; E588-I590 VanDerWaalsContact O-N 3.11Å; E588-H591 WeakPolarHBondContact O-CB 3.28Å; E588-H591 PolarHBondContact O-N 3.42Å; E588-T592 PolarHBondContact O-N 3.29Å; E588-T592 VanDerWaalsContact O-N 3.12Å
589Q83.6Confident84.5Confident39 Ų3964.3 Ų64.318%0.18235%0.345CS..Hα-helixtrans-58.6-20.3170.5-67.1176.5-23.300114.4Q585 R586 H587 T592 G593 E594 T607Q585-Q589 PolarHBondContact O-N 2.8Å; R586-Q589 WeakPolarHBondContact O-CB 3.43Å; H587-Q589 PolarHBondContact O-N 3.45Å; Q589-T592 WeakPolarHBondContact CA-OG1 2.94Å; Q589-G593 CarbonylContact O-C 3.29Å; Q589-G593 WeakPolarHBondContact O-CA 3.4Å; Q589-G593 PolarHBondContact O-N 3.04Å; Q589-E594 PolarHBondContact O-N 2.95Å; Q589-T607 HydrophobicContact CB-CG2 4.24Å; Q589-T607 PolarHBondContact OE1-O 2.78Å
590I80.9Confident84.5Confident119 Ų11972.1 Ų72.161%0.6137%0.374SS*.Hα-helixtrans-73.6-33.7173.8-57.7175.6000110.5H587 E588H587-I590 VanDerWaalsContact O-CB 3.26Å; H587-I590 WeakPolarHBondContact O-CB 3.12Å; H587-I590 WeakPolarHBondContact O-CG1 3.13Å; H587-I590 PolarHBondContact O-N 3.16Å; E588-I590 PolarHBondContact O-N 2.92Å; E588-I590 VanDerWaalsContact O-N 3.11Å
591H82.1Confident84.3Confident81 Ų8175.2 Ų75.238%0.37540%0.396SS..Hα-helixtrans-77.8-42.2178.7-68.9-66.2000111.8H573 C574 H587 E588 G593H573-H591 HydrophobicContact CB-CB 4.24Å; C574-H591 PolarHBondContact SG-NE2 3.37Å; H587-H591 AromaticContact CE1-NE2 3.82Å; H587-H591 AromaticContact NE2-CD2 3.97Å; H587-H591 AromaticContact NE2-NE2 3.5Å; H587-H591 PolarHBondContact NE2-NE2 3.44Å; E588-H591 WeakPolarHBondContact O-CB 3.28Å; E588-H591 PolarHBondContact O-N 3.42Å; H591-G593 PolarHBondContact O-N 3.37Å
592T83.2Confident84.3Confident76 Ų7673.7 Ų73.747%0.46639%0.391SS..Hα-helixtrans-74.5-17.3176.361.30000112.3E588 Q589 E594E588-T592 PolarHBondContact O-N 3.29Å; E588-T592 VanDerWaalsContact O-N 3.12Å; Q589-T592 WeakPolarHBondContact CA-OG1 2.94Å; T592-E594 PolarHBondContact O-N 3.35Å; T592-E594 VanDerWaalsContact O-N 3.15Å; T592-E594 WeakPolarHBondContact OG1-CB 3.43Å; T592-E594 WeakPolarHBondContact OG1-CG 3.41Å; T592-E594 PolarHBondContact OG1-N 3.13Å
593G78.2Confident84.3Confident48 Ų4872.7 Ų72.750%0.49539%0.392SS..  trans69.21.8-172.300000113.4Q589 H591 K595Q589-G593 CarbonylContact O-C 3.29Å; Q589-G593 WeakPolarHBondContact O-CA 3.4Å; Q589-G593 PolarHBondContact O-N 3.04Å; H591-G593 PolarHBondContact O-N 3.37Å; G593-K595 PolarHBondContact O-N 3.46Å
594E79.7Confident84.4Confident117 Ų11778.3 Ų78.355%0.54742%0.415SS..  trans-66.1123.9-176.8-74.1179.4-173.500111Q589 T592Q589-E594 PolarHBondContact O-N 2.95Å; T592-E594 PolarHBondContact O-N 3.35Å; T592-E594 VanDerWaalsContact O-N 3.15Å; T592-E594 WeakPolarHBondContact OG1-CB 3.43Å; T592-E594 WeakPolarHBondContact OG1-CG 3.41Å; T592-E594 PolarHBondContact OG1-N 3.13Å
595K83.8Confident84.3Confident115 Ų11579.9 Ų79.950%0.543%0.428SS..  trans-125.379176.2-69178-174174.90108.8G593 H597 A605 F606 T607G593-K595 PolarHBondContact O-N 3.46Å; K595-H597 PolarHBondContact O-N 3.37Å; K595-A605 HydrophobicContact CB-CB 3.44Å; K595-A605 VanDerWaalsContact CB-CB 3.44Å; K595-A605 HydrophobicContact CD-CB 4.16Å; K595-A605 WeakPolarHBondContact CD-O 3.35Å; K595-A605 HydrophobicContact CG-CB 4.46Å; K595-A605 WeakPolarHBondContact O-CB 3.39Å; K595-F606 CarbonylContact C-O 3.53Å; K595-F606 VanDerWaalsContact C-O 3.29Å; K595-F606 WeakPolarHBondContact CA-O 3.32Å; K595-T607 HydrophobicContact CG-CG2 3.95Å
596P82.9Confident84.3Confident74 Ų7477 Ų7748%0.48141%0.414SS..  trans-64.2-18.7-170.1-23.134.4000114.4V598P596-V598 PolarHBondContact O-N 3.3Å
597H87.7Confident84.3Confident56 Ų5673 Ų7326%0.25940%0.403SS..EExtended strand (participates in β ladder)trans-98.788.8-172.6-55.9-61.2000110.7K595 A605 F606 P609 L612K595-H597 PolarHBondContact O-N 3.37Å; H597-A605 CarbonylContact O-C 3.51Å; H597-A605 WeakPolarHBondContact O-CA 3.42Å; H597-F606 HydrophobicContact CB-CB 4.32Å; H597-F606 WeakPolarHBondContact CB-O 3.4Å; H597-F606 PolarHBondContact N-O 3.16Å; H597-F606 VanDerWaalsContact N-O 3.09Å; H597-F606 PolarHBondContact O-N 2.82Å; H597-P609 VanDerWaalsContact CE1-CG 3.49Å; H597-P609 WeakPolarHBondContact CE1-CG 3.4Å; H597-P609 VanDerWaalsContact NE2-CD 3.32Å; H597-P609 WeakPolarHBondContact NE2-CD 3.43Å; H597-L612 HydrophobicContact CB-CB 4.04Å; H597-L612 HydrophobicContact CB-CD2 3.84Å
598V86.5Confident84.3Confident79 Ų7974.2 Ų74.248%0.47941%0.411SS..EExtended strand (participates in β ladder)trans-86.2130179.8-173.90000110.7P596 K600 A605P596-V598 PolarHBondContact O-N 3.3Å; V598-K600 PolarHBondContact O-N 3.4Å; V598-A605 HydrophobicContact CG2-CB 4.08Å
599C89.6Confident84.4Confident1 Ų174.4 Ų74.41%0.00742%0.417CS..  trans-71.7120.7169.2-178.40000109.7S601 G603 K604 F606 L612 H615C599-S601 PolarHBondContact O-N 3.38Å; C599-G603 VanDerWaalsContact O-CA 3.25Å; C599-G603 WeakPolarHBondContact O-CA 3.48Å; C599-G603 PolarHBondContact O-N 2.85Å; C599-K604 WeakPolarHBondContact CB-O 3.39Å; C599-K604 PolarHBondContact N-O 3.1Å; C599-F606 HydrophobicContact CB-CE2 4.39Å; C599-L612 VanDerWaalsContact CA-CD1 3.5Å; C599-L612 HydrophobicContact CB-CD1 3.57Å; C599-H615 PolarHBondContact SG-NE2 3.22Å
600K86.2Confident84.5Confident207 Ų20775.8 Ų75.890%0.943%0.431SS*.THydrogen-bonded Turntrans-64.3-29.1179.3-63.6-175.9177.6-174.90113.1V598V598-K600 PolarHBondContact O-N 3.4Å
601S82.8Confident84.7Confident89 Ų8972 Ų7262%0.62242%0.417SS*.THydrogen-bonded Turntrans-82.5-25.9-174.6-51.70000114.5C599C599-S601 PolarHBondContact O-N 3.38Å
602C87.6Confident84.9Confident53 Ų5369.1 Ų69.136%0.35841%0.405SS..THydrogen-bonded Turntrans-1384.6-179.371.80000115.2K604 H615 H619C602-K604 PolarHBondContact O-N 3.15Å; C602-K604 VanDerWaalsContact O-N 3.09Å; C602-K604 VanDerWaalsContact SG-CG 3.58Å; C602-H615 VanDerWaalsContact SG-CE1 3.57Å; C602-H615 PolarHBondContact SG-NE2 2.6Å; C602-H619 PolarHBondContact SG-NE2 3.31Å
603G85Confident85.1Confident50 Ų5072.8 Ų72.852%0.51541%0.41SS..  trans71.3-2.1-179.700000115.2C599 A605C599-G603 VanDerWaalsContact O-CA 3.25Å; C599-G603 WeakPolarHBondContact O-CA 3.48Å; C599-G603 PolarHBondContact O-N 2.85Å; G603-A605 PolarHBondContact O-N 2.84Å
604K86.4Confident85.4Confident127 Ų12773.5 Ų73.555%0.55240%0.403SS*.  trans-65.5126179.2-73.5179.8-177.6174.60110.8C599 C602 F606C599-K604 WeakPolarHBondContact CB-O 3.39Å; C599-K604 PolarHBondContact N-O 3.1Å; C602-K604 PolarHBondContact O-N 3.15Å; C602-K604 VanDerWaalsContact O-N 3.09Å; C602-K604 VanDerWaalsContact SG-CG 3.58Å; K604-F606 HydrophobicContact CB-CE2 3.82Å; K604-F606 HydrophobicContact CB-CZ 4.02Å; K604-F606 WeakPolarHBondContact O-CD2 3.44Å; K604-F606 VanDerWaalsContact O-CE2 3.27Å; K604-F606 WeakPolarHBondContact O-CE2 3.43Å
605A85.1Confident85.7Confident37 Ų3768.8 Ų68.831%0.30638%0.38SS..EExtended strand (participates in β ladder)trans-94.9144.1179.700000111.6K595 H597 V598 G603K595-A605 HydrophobicContact CB-CB 3.44Å; K595-A605 VanDerWaalsContact CB-CB 3.44Å; K595-A605 HydrophobicContact CD-CB 4.16Å; K595-A605 WeakPolarHBondContact CD-O 3.35Å; K595-A605 HydrophobicContact CG-CB 4.46Å; K595-A605 WeakPolarHBondContact O-CB 3.39Å; H597-A605 CarbonylContact O-C 3.51Å; H597-A605 WeakPolarHBondContact O-CA 3.42Å; V598-A605 HydrophobicContact CG2-CB 4.08Å; G603-A605 PolarHBondContact O-N 2.84Å
606F86Confident85.8Confident44 Ų4467 Ų6719%0.19337%0.374CS..EExtended strand (participates in β ladder)trans-130151179.8-60.5-90.1000111.6K595 H597 C599 K604 A611 L612 H615K595-F606 CarbonylContact C-O 3.53Å; K595-F606 VanDerWaalsContact C-O 3.29Å; K595-F606 WeakPolarHBondContact CA-O 3.32Å; H597-F606 HydrophobicContact CB-CB 4.32Å; H597-F606 WeakPolarHBondContact CB-O 3.4Å; H597-F606 PolarHBondContact N-O 3.16Å; H597-F606 VanDerWaalsContact N-O 3.09Å; H597-F606 PolarHBondContact O-N 2.82Å; C599-F606 HydrophobicContact CB-CE2 4.39Å; K604-F606 HydrophobicContact CB-CE2 3.82Å; K604-F606 HydrophobicContact CB-CZ 4.02Å; K604-F606 WeakPolarHBondContact O-CD2 3.44Å; K604-F606 VanDerWaalsContact O-CE2 3.27Å; K604-F606 WeakPolarHBondContact O-CE2 3.43Å; F606-A611 HydrophobicContact CB-CB 4.16Å; F606-A611 HydrophobicContact CD1-CB 3.9Å; F606-A611 HydrophobicContact CG-CB 4.3Å; F606-L612 HydrophobicContact CB-CB 4.25Å; F606-L612 HydrophobicContact CD2-CB 3.93Å; F606-L612 HydrophobicContact CD2-CD1 3.79Å; F606-L612 HydrophobicContact CD2-CG 4.48Å; F606-L612 HydrophobicContact CE2-CD1 4.03Å; F606-L612 HydrophobicContact CG-CB 4.25Å; F606-H615 HydrophobicContact CE1-CB 3.87Å; F606-H615 HydrophobicContact CE2-CB 3.79Å; F606-H615 AromaticContact CE2-CD2 3.27Å; F606-H615 WeakPolarHBondContact CE2-CD2 3.37Å; F606-H615 AromaticContact CE2-CG 3.5Å; F606-H615 VanDerWaalsContact CE2-CG 3.5Å; F606-H615 AromaticContact CE2-NE2 3.94Å; F606-H615 HydrophobicContact CZ-CB 3.35Å; F606-H615 AromaticContact CZ-CD2 3.43Å; F606-H615 VanDerWaalsContact CZ-CD2 3.43Å; F606-H615 WeakPolarHBondContact CZ-CD2 3.47Å; F606-H615 AromaticContact CZ-CG 3.13Å; F606-H615 AromaticContact CZ-ND1 3.64Å
607T84Confident86Confident45 Ų4566 Ų6628%0.27636%0.36SS..SBendtrans-75.1-24.4178.351.50000113.4Q589 K595Q589-T607 HydrophobicContact CB-CG2 4.24Å; Q589-T607 PolarHBondContact OE1-O 2.78Å; K595-T607 HydrophobicContact CG-CG2 3.95Å
608N85.5Confident85.8Confident46 Ų4668.4 Ų68.425%0.24637%0.374CS..SBendtrans-139.9143.4-174.9179.253.3000112S610 A611 L612N608-S610 VanDerWaalsContact C-N 3.26Å; N608-S610 WeakPolarHBondContact ND2-CB 3.47Å; N608-S610 PolarHBondContact ND2-OG 3.29Å; N608-S610 PolarHBondContact O-N 3.37Å; N608-S610 VanDerWaalsContact O-N 3.16Å; N608-A611 WeakPolarHBondContact O-CB 3.29Å; N608-A611 PolarHBondContact O-N 3.29Å; N608-L612 PolarHBondContact O-N 3.35Å
609P85.4Confident85.8Confident59 Ų5968.9 Ų68.938%0.38337%0.371SS..Hα-helixtrans-59.7-31.1-177.3-26.836.1000114.4H597 A611 L612 R613H597-P609 VanDerWaalsContact CE1-CG 3.49Å; H597-P609 WeakPolarHBondContact CE1-CG 3.4Å; H597-P609 VanDerWaalsContact NE2-CD 3.32Å; H597-P609 WeakPolarHBondContact NE2-CD 3.43Å; P609-A611 VanDerWaalsContact C-N 3.27Å; P609-A611 PolarHBondContact O-N 3.13Å; P609-L612 PolarHBondContact O-N 3.48Å; P609-R613 WeakPolarHBondContact O-CB 3.43Å; P609-R613 PolarHBondContact O-N 3.47Å
610S84.9Confident85.6Confident68 Ų6872 Ų7248%0.47639%0.393SS..Hα-helixtrans-66.8-30.6177.3-46.10000112.5N608 N614N608-S610 VanDerWaalsContact C-N 3.26Å; N608-S610 WeakPolarHBondContact ND2-CB 3.47Å; N608-S610 PolarHBondContact ND2-OG 3.29Å; N608-S610 PolarHBondContact O-N 3.37Å; N608-S610 VanDerWaalsContact O-N 3.16Å; S610-N614 WeakPolarHBondContact O-CB 3.25Å; S610-N614 VanDerWaalsContact O-CG 3.28Å; S610-N614 PolarHBondContact O-N 2.94Å; S610-N614 VanDerWaalsContact O-N 3.14Å; S610-N614 PolarHBondContact O-ND2 3.41Å
611A85.3Confident85.3Confident39 Ų3964.5 Ų64.532%0.32237%0.374SS..Hα-helixtrans-73.8-43.2176.600000110.6F606 N608 P609 N614 H615F606-A611 HydrophobicContact CB-CB 4.16Å; F606-A611 HydrophobicContact CD1-CB 3.9Å; F606-A611 HydrophobicContact CG-CB 4.3Å; N608-A611 WeakPolarHBondContact O-CB 3.29Å; N608-A611 PolarHBondContact O-N 3.29Å; P609-A611 VanDerWaalsContact C-N 3.27Å; P609-A611 PolarHBondContact O-N 3.13Å; A611-N614 PolarHBondContact O-N 3.27Å; A611-H615 WeakPolarHBondContact O-CB 3.37Å; A611-H615 PolarHBondContact O-N 3.35Å
612L87.3Confident85.3Confident22 Ų2265.7 Ų65.712%0.11537%0.37CS..Hα-helixtrans-57.5-51171.917360.5000111.1H597 C599 F606 N608 P609 N614 H615 E616H597-L612 HydrophobicContact CB-CB 4.04Å; H597-L612 HydrophobicContact CB-CD2 3.84Å; C599-L612 VanDerWaalsContact CA-CD1 3.5Å; C599-L612 HydrophobicContact CB-CD1 3.57Å; F606-L612 HydrophobicContact CB-CB 4.25Å; F606-L612 HydrophobicContact CD2-CB 3.93Å; F606-L612 HydrophobicContact CD2-CD1 3.79Å; F606-L612 HydrophobicContact CD2-CG 4.48Å; F606-L612 HydrophobicContact CE2-CD1 4.03Å; F606-L612 HydrophobicContact CG-CB 4.25Å; N608-L612 PolarHBondContact O-N 3.35Å; P609-L612 PolarHBondContact O-N 3.48Å; L612-N614 VanDerWaalsContact C-N 3.32Å; L612-N614 PolarHBondContact O-N 3.35Å; L612-H615 CarbonylContact O-C 3.41Å; L612-H615 WeakPolarHBondContact O-CA 3.48Å; L612-H615 WeakPolarHBondContact O-CB 3.46Å; L612-H615 PolarHBondContact O-N 3.3Å; L612-E616 HydrophobicContact CD1-CG 3.85Å; L612-E616 HydrophobicContact CG-CG 4.22Å; L612-E616 WeakPolarHBondContact O-CG 3.49Å; L612-E616 PolarHBondContact O-N 3.34Å
613R86.3Confident85.2Confident152 Ų15268.6 Ų68.657%0.57438%0.376SS*.Hα-helixtrans-57.3-42.9179-173.3-172.3-55.9-89.1-4.1113P609 H615 R617P609-R613 WeakPolarHBondContact O-CB 3.43Å; P609-R613 PolarHBondContact O-N 3.47Å; R613-H615 VanDerWaalsContact C-N 3.25Å; R613-H615 PolarHBondContact O-N 3.45Å; R613-R617 WeakPolarHBondContact O-CG 3.23Å; R613-R617 PolarHBondContact O-N 2.77Å
614N85.1Confident85Confident64 Ų6469.7 Ų69.734%0.34238%0.375SS..Hα-helixtrans-68.5-28.6176.6-74.8-20.4000112.2S610 A611 L612 I635S610-N614 WeakPolarHBondContact O-CB 3.25Å; S610-N614 VanDerWaalsContact O-CG 3.28Å; S610-N614 PolarHBondContact O-N 2.94Å; S610-N614 VanDerWaalsContact O-N 3.14Å; S610-N614 PolarHBondContact O-ND2 3.41Å; A611-N614 PolarHBondContact O-N 3.27Å; L612-N614 VanDerWaalsContact C-N 3.32Å; L612-N614 PolarHBondContact O-N 3.35Å; N614-I635 VanDerWaalsContact O-CG2 3.25Å; N614-I635 WeakPolarHBondContact O-CG2 3.49Å
615H86Confident84.8Confident17 Ų1764.7 Ų64.78%0.07936%0.355CS..Hα-helixtrans-76.2-41.4175165.171.6000112.2C599 C602 F606 A611 L612 R613 R617 I618 H619C599-H615 PolarHBondContact SG-NE2 3.22Å; C602-H615 VanDerWaalsContact SG-CE1 3.57Å; C602-H615 PolarHBondContact SG-NE2 2.6Å; F606-H615 HydrophobicContact CE1-CB 3.87Å; F606-H615 HydrophobicContact CE2-CB 3.79Å; F606-H615 AromaticContact CE2-CD2 3.27Å; F606-H615 WeakPolarHBondContact CE2-CD2 3.37Å; F606-H615 AromaticContact CE2-CG 3.5Å; F606-H615 VanDerWaalsContact CE2-CG 3.5Å; F606-H615 AromaticContact CE2-NE2 3.94Å; F606-H615 HydrophobicContact CZ-CB 3.35Å; F606-H615 AromaticContact CZ-CD2 3.43Å; F606-H615 VanDerWaalsContact CZ-CD2 3.43Å; F606-H615 WeakPolarHBondContact CZ-CD2 3.47Å; F606-H615 AromaticContact CZ-CG 3.13Å; F606-H615 AromaticContact CZ-ND1 3.64Å; A611-H615 WeakPolarHBondContact O-CB 3.37Å; A611-H615 PolarHBondContact O-N 3.35Å; L612-H615 CarbonylContact O-C 3.41Å; L612-H615 WeakPolarHBondContact O-CA 3.48Å; L612-H615 WeakPolarHBondContact O-CB 3.46Å; L612-H615 PolarHBondContact O-N 3.3Å; R613-H615 VanDerWaalsContact C-N 3.25Å; R613-H615 PolarHBondContact O-N 3.45Å; H615-R617 PolarHBondContact O-N 2.92Å; H615-R617 VanDerWaalsContact O-N 3.16Å; H615-I618 WeakPolarHBondContact O-CB 3.39Å; H615-I618 WeakPolarHBondContact O-CG1 3.26Å; H615-I618 PolarHBondContact O-N 3Å; H615-H619 AromaticContact CE1-NE2 3.67Å; H615-H619 AromaticContact NE2-CD2 3.92Å; H615-H619 AromaticContact NE2-NE2 3.4Å; H615-H619 PolarHBondContact NE2-NE2 2.77Å
616E87.1Confident84.8Confident78 Ų7867.4 Ų67.436%0.36436%0.363SS..Hα-helixtrans-57.3-30.4176.5-73.3171.9155.400112.1L612 I618 H619 S620L612-E616 HydrophobicContact CD1-CG 3.85Å; L612-E616 HydrophobicContact CG-CG 4.22Å; L612-E616 WeakPolarHBondContact O-CG 3.49Å; L612-E616 PolarHBondContact O-N 3.34Å; E616-I618 PolarHBondContact O-N 3.18Å; E616-H619 WeakPolarHBondContact O-CA 3.41Å; E616-H619 WeakPolarHBondContact O-CB 3.49Å; E616-H619 PolarHBondContact O-N 2.86Å; E616-S620 PolarHBondContact O-N 2.83Å
617R86.5Confident84.8Confident53 Ų5365.5 Ų65.520%0.236%0.355CS..Hα-helixtrans-61.5-19.3171.9-70.6175.6-176.6-178.6-2.4114.9R613 H615 H619 S620 G621 E622 I635R613-R617 WeakPolarHBondContact O-CG 3.23Å; R613-R617 PolarHBondContact O-N 2.77Å; H615-R617 PolarHBondContact O-N 2.92Å; H615-R617 VanDerWaalsContact O-N 3.16Å; R617-H619 VanDerWaalsContact C-N 3.33Å; R617-S620 WeakPolarHBondContact CA-OG 3.36Å; R617-G621 CarbonylContact O-C 3.3Å; R617-G621 WeakPolarHBondContact O-CA 3.45Å; R617-G621 PolarHBondContact O-N 3.39Å; R617-E622 HydrophobicContact CG-CB 4.32Å; R617-E622 PolarHBondContact O-N 3Å; R617-I635 HydrophobicContact CB-CG2 3.55Å; R617-I635 WeakPolarHBondContact CD-O 3.5Å; R617-I635 HydrophobicContact CG-CG2 4.39Å; R617-I635 PolarHBondContact NH1-O 2.99Å
618I84.1Confident84.8Confident107 Ų10771.6 Ų71.655%0.54938%0.381SS..Hα-helixtrans-70.4-36.9171.6-58171.5000109.6H615 E616 I635H615-I618 WeakPolarHBondContact O-CB 3.39Å; H615-I618 WeakPolarHBondContact O-CG1 3.26Å; H615-I618 PolarHBondContact O-N 3Å; E616-I618 PolarHBondContact O-N 3.18Å; I618-I635 HydrophobicContact CG1-CD1 3.88Å
619H84.7Confident84.5Confident88 Ų8876.2 Ų76.241%0.40740%0.401SS..Hα-helixtrans-76.1-42.9177-63.8-61.5000112.1C602 H615 E616 R617 G621C602-H619 PolarHBondContact SG-NE2 3.31Å; H615-H619 AromaticContact CE1-NE2 3.67Å; H615-H619 AromaticContact NE2-CD2 3.92Å; H615-H619 AromaticContact NE2-NE2 3.4Å; H615-H619 PolarHBondContact NE2-NE2 2.77Å; E616-H619 WeakPolarHBondContact O-CA 3.41Å; E616-H619 WeakPolarHBondContact O-CB 3.49Å; E616-H619 PolarHBondContact O-N 2.86Å; R617-H619 VanDerWaalsContact C-N 3.33Å; H619-G621 VanDerWaalsContact C-N 3.27Å; H619-G621 PolarHBondContact O-N 3.06Å
620S85.3Confident84.6Confident67 Ų6775.9 Ų75.947%0.46940%0.4SS..Hα-helixtrans-76.4-14.3177.967.60000113.7E616 R617 E622E616-S620 PolarHBondContact O-N 2.83Å; R617-S620 WeakPolarHBondContact CA-OG 3.36Å; S620-E622 PolarHBondContact O-N 3.14Å; S620-E622 VanDerWaalsContact O-N 3.16Å; S620-E622 WeakPolarHBondContact OG-CB 3.19Å; S620-E622 WeakPolarHBondContact OG-CG 3.33Å; S620-E622 PolarHBondContact OG-N 3.36Å
621G81Confident84.5Confident49 Ų4975.3 Ų75.351%0.50540%0.404SS..  trans701.5-173.400000114.1R617 H619 K623R617-G621 CarbonylContact O-C 3.3Å; R617-G621 WeakPolarHBondContact O-CA 3.45Å; R617-G621 PolarHBondContact O-N 3.39Å; H619-G621 VanDerWaalsContact C-N 3.27Å; H619-G621 PolarHBondContact O-N 3.06Å; G621-K623 PolarHBondContact O-N 3.27Å
622E82.2Confident84.5Confident114 Ų11479.4 Ų79.453%0.53342%0.415SS..  trans-62.8125.7-177.6-76.1177.4-157.100111.8R617 S620 P624R617-E622 HydrophobicContact CG-CB 4.32Å; R617-E622 PolarHBondContact O-N 3Å; S620-E622 PolarHBondContact O-N 3.14Å; S620-E622 VanDerWaalsContact O-N 3.16Å; S620-E622 WeakPolarHBondContact OG-CB 3.19Å; S620-E622 WeakPolarHBondContact OG-CG 3.33Å; S620-E622 PolarHBondContact OG-N 3.36Å; E622-P624 WeakPolarHBondContact O-CD 3.34Å
623K85.7Confident84.4Confident115 Ų11579.3 Ų79.350%0.542%0.419SS..  trans-122.378.9177.3-74.6165.9174.5-1790109.9G621 C625 G633 F634 I635G621-K623 PolarHBondContact O-N 3.27Å; K623-C625 PolarHBondContact O-N 3.08Å; K623-C625 VanDerWaalsContact O-N 3.12Å; K623-G633 WeakPolarHBondContact CD-O 3.27Å; K623-F634 CarbonylContact C-O 3.46Å; K623-F634 WeakPolarHBondContact CA-O 3.19Å; K623-I635 HydrophobicContact CG-CG1 4.15Å
624P81.2Confident84.3Confident73 Ų7374.1 Ų74.147%0.47440%0.401SS..  trans-66.6-18.5-170.3-23.535.9000114.6E622E622-P624 WeakPolarHBondContact O-CD 3.34Å
625C82.7Confident84.3Confident21 Ų2173.6 Ų73.614%0.14240%0.398CS..EExtended strand (participates in β ladder)trans-105.498.6179.8-56.90000108.6K623 G633 F634 F640K623-C625 PolarHBondContact O-N 3.08Å; K623-C625 VanDerWaalsContact O-N 3.12Å; C625-G633 CarbonylContact O-C 3.55Å; C625-G633 WeakPolarHBondContact O-CA 3.35Å; C625-F634 HydrophobicContact CB-CB 4.39Å; C625-F634 PolarHBondContact N-O 2.84Å; C625-F634 PolarHBondContact O-N 3.11Å; C625-F640 HydrophobicContact CB-CB 3.55Å; C625-F640 HydrophobicContact CB-CD1 3.89Å; C625-F640 HydrophobicContact CB-CD2 4.26Å; C625-F640 HydrophobicContact CB-CG 3.62Å
626I84.1Confident84.1Confident94 Ų9474 Ų7448%0.48240%0.402SS..EExtended strand (participates in β ladder)trans-95.9132.8176.8-56.8173.4000107.9E628I626-E628 PolarHBondContact O-N 3.01Å
627C85.3Confident83.8Confident4 Ų475.8 Ų75.83%0.02741%0.409CS..  trans-79.9109.7170.6-172.70000110Q629 C630 G631 K632 F640 H643 H647C627-Q629 PolarHBondContact O-N 3.28Å; C627-C630 PolarHBondContact O-N 3.05Å; C627-G631 VanDerWaalsContact O-CA 3.28Å; C627-G631 WeakPolarHBondContact O-CA 3.45Å; C627-G631 PolarHBondContact O-N 3.38Å; C627-K632 PolarHBondContact N-O 2.88Å; C627-F640 HydrophobicContact CB-CD2 4.36Å; C627-F640 HydrophobicContact CB-CE2 3.68Å; C627-H643 WeakPolarHBondContact CB-NE2 3.23Å; C627-H643 PolarHBondContact SG-NE2 3.44Å; C627-H643 VanDerWaalsContact SG-NE2 3.37Å; C627-H647 VanDerWaalsContact SG-CD2 3.58Å; C627-H647 PolarHBondContact SG-NE2 3.4Å; C627-H647 VanDerWaalsContact SG-NE2 3.37Å
628E84.7Confident83.5Confident174 Ų17477.3 Ų77.381%0.81343%0.428SS*.THydrogen-bonded Turntrans-54.4-36.4176.1-62.3-57.9143.300112.3I626 C630I626-E628 PolarHBondContact O-N 3.01Å; E628-C630 PolarHBondContact O-N 2.75Å
629Q80.3Confident83.4Confident142 Ų14278.7 Ų78.766%0.66443%0.43SS*.THydrogen-bonded Turntrans-74.6-18.1-177.1-60.8-168.115.400115.3C627 H647C627-Q629 PolarHBondContact O-N 3.28Å; Q629-H647 PolarHBondContact OE1-ND1 3.34Å
630C86.2Confident83.4Confident53 Ų5375.5 Ų75.536%0.35842%0.415SS..THydrogen-bonded Turntrans-1447.2-179.370.70000115.2C627 E628 K632 H643 H647C627-C630 PolarHBondContact O-N 3.05Å; E628-C630 PolarHBondContact O-N 2.75Å; C630-K632 PolarHBondContact O-N 3.31Å; C630-H643 PolarHBondContact SG-CE1 3.49Å; C630-H643 PolarHBondContact SG-NE2 3.35Å; C630-H647 PolarHBondContact SG-NE2 3.24Å
631G83.9Confident83.2Confident55 Ų5578.5 Ų78.557%0.56742%0.416SS*.  trans66.6-0.3-17800000115.7C627 G633C627-G631 VanDerWaalsContact O-CA 3.28Å; C627-G631 WeakPolarHBondContact O-CA 3.45Å; C627-G631 PolarHBondContact O-N 3.38Å; G631-G633 PolarHBondContact O-N 2.83Å
632K84.3Confident83.3Confident125 Ų12579.5 Ų79.554%0.54341%0.409SS..  trans-70.8119.4-175.8-71.8179.5-176.4171.20111.2C627 C630 F634C627-K632 PolarHBondContact N-O 2.88Å; C630-K632 PolarHBondContact O-N 3.31Å; K632-F634 HydrophobicContact CB-CE2 3.7Å; K632-F634 HydrophobicContact CB-CZ 4Å; K632-F634 VanDerWaalsContact O-CD2 3.3Å; K632-F634 WeakPolarHBondContact O-CD2 3.27Å; K632-F634 VanDerWaalsContact O-CE2 3.22Å; K632-F634 WeakPolarHBondContact O-CE2 3.45Å
633G85.1Confident83.4Confident21 Ų2174.8 Ų74.822%0.21639%0.387CS..EExtended strand (participates in β ladder)trans-85.3138.9172.300000113.2K623 C625 G631K623-G633 WeakPolarHBondContact CD-O 3.27Å; C625-G633 CarbonylContact O-C 3.55Å; C625-G633 WeakPolarHBondContact O-CA 3.35Å; G631-G633 PolarHBondContact O-N 2.83Å
634F85.4Confident83.3Confident43 Ų4372 Ų7219%0.18938%0.376CS..EExtended strand (participates in β ladder)trans-123.8140.1177.6-62.3-93.5000111.6K623 C625 K632 S636 K639 F640 H643K623-F634 CarbonylContact C-O 3.46Å; K623-F634 WeakPolarHBondContact CA-O 3.19Å; C625-F634 HydrophobicContact CB-CB 4.39Å; C625-F634 PolarHBondContact N-O 2.84Å; C625-F634 PolarHBondContact O-N 3.11Å; K632-F634 HydrophobicContact CB-CE2 3.7Å; K632-F634 HydrophobicContact CB-CZ 4Å; K632-F634 VanDerWaalsContact O-CD2 3.3Å; K632-F634 WeakPolarHBondContact O-CD2 3.27Å; K632-F634 VanDerWaalsContact O-CE2 3.22Å; K632-F634 WeakPolarHBondContact O-CE2 3.45Å; F634-S636 VanDerWaalsContact C-N 3.3Å; F634-S636 PolarHBondContact O-N 3.33Å; F634-K639 HydrophobicContact CD1-CB 4.04Å; F634-F640 HydrophobicContact CB-CB 3.94Å; F634-F640 HydrophobicContact CD2-CB 4.02Å; F634-F640 AromaticContact CD2-CD2 3.69Å; F634-F640 HydrophobicContact CD2-CD2 3.69Å; F634-F640 HydrophobicContact CD2-CG 4.34Å; F634-F640 HydrophobicContact CE2-CD2 4.09Å; F634-F640 HydrophobicContact CG-CB 4.04Å; F634-H643 HydrophobicContact CE1-CB 3.76Å; F634-H643 HydrophobicContact CE2-CB 3.88Å; F634-H643 AromaticContact CE2-CD2 3.18Å; F634-H643 WeakPolarHBondContact CE2-CD2 3.14Å; F634-H643 AromaticContact CE2-CG 3.47Å; F634-H643 VanDerWaalsContact CE2-CG 3.47Å; F634-H643 AromaticContact CE2-NE2 3.74Å; F634-H643 HydrophobicContact CZ-CB 3.36Å; F634-H643 AromaticContact CZ-CD2 3.37Å; F634-H643 WeakPolarHBondContact CZ-CD2 3.43Å; F634-H643 AromaticContact CZ-CG 3.1Å; F634-H643 AromaticContact CZ-ND1 3.57Å; F634-H643 AromaticContact CZ-NE2 3.89Å
635I84.6Confident83.5Confident52 Ų5271 Ų7127%0.26736%0.363SS..SBendtrans-68.1-29.7178.7-67173.4000112.2N614 R617 I618 K623N614-I635 VanDerWaalsContact O-CG2 3.25Å; N614-I635 WeakPolarHBondContact O-CG2 3.49Å; R617-I635 HydrophobicContact CB-CG2 3.55Å; R617-I635 WeakPolarHBondContact CD-O 3.5Å; R617-I635 HydrophobicContact CG-CG2 4.39Å; R617-I635 PolarHBondContact NH1-O 2.99Å; I618-I635 HydrophobicContact CG1-CD1 3.88Å; K623-I635 HydrophobicContact CG-CG1 4.15Å
636S81.6Confident83.4Confident25 Ų2575.6 Ų75.618%0.17539%0.385CS..SBendtrans-131.9142.6-177.668.20000112.4F634 S638 K639 F640F634-S636 VanDerWaalsContact C-N 3.3Å; F634-S636 PolarHBondContact O-N 3.33Å; S636-S638 VanDerWaalsContact C-N 3.26Å; S636-S638 PolarHBondContact O-N 2.91Å; S636-K639 PolarHBondContact O-N 3.04Å; S636-K639 VanDerWaalsContact O-N 3.12Å; S636-K639 WeakPolarHBondContact OG-CG 3.3Å; S636-F640 PolarHBondContact O-N 3.42Å; S636-F640 VanDerWaalsContact O-N 3.09Å
637F80.2Confident83.3Confident116 Ų11674.3 Ų74.351%0.50938%0.376SS..Hα-helixtrans-59.1-35.8178.6-174.6-105.3000112.9K639 F640 R641F637-K639 VanDerWaalsContact C-N 3.34Å; F637-K639 PolarHBondContact O-N 2.71Å; F637-F640 HydrophobicContact CD2-CD1 4.28Å; F637-F640 HydrophobicContact CE2-CD1 4.36Å; F637-F640 PolarHBondContact O-N 3.02Å; F637-R641 HydrophobicContact CD1-CG 3.87Å; F637-R641 HydrophobicContact CE1-CG 3.51Å; F637-R641 HydrophobicContact CE2-CG 4.33Å; F637-R641 HydrophobicContact CG-CG 4.44Å; F637-R641 HydrophobicContact CZ-CG 3.78Å; F637-R641 WeakPolarHBondContact O-CB 3.44Å; F637-R641 WeakPolarHBondContact O-CG 3.4Å; F637-R641 PolarHBondContact O-N 3.23Å
638S80.2Confident83.3Confident86 Ų8678 Ų7860%0.60140%0.399SS*.Hα-helixtrans-65.4-36177.6-53.70000112.7S636 I642S636-S638 VanDerWaalsContact C-N 3.26Å; S636-S638 PolarHBondContact O-N 2.91Å; S638-I642 WeakPolarHBondContact O-CD1 3.33Å; S638-I642 VanDerWaalsContact O-CG1 3.31Å; S638-I642 WeakPolarHBondContact O-CG1 3.41Å; S638-I642 PolarHBondContact O-N 3.1Å
639K83.1Confident83Confident135 Ų13572 Ų7259%0.58738%0.384SS*.Hα-helixtrans-72.9-39.8175.9-67.3-69.9-177.5177.70111.2F634 S636 F637 I642 H643F634-K639 HydrophobicContact CD1-CB 4.04Å; S636-K639 PolarHBondContact O-N 3.04Å; S636-K639 VanDerWaalsContact O-N 3.12Å; S636-K639 WeakPolarHBondContact OG-CG 3.3Å; F637-K639 VanDerWaalsContact C-N 3.34Å; F637-K639 PolarHBondContact O-N 2.71Å; K639-I642 PolarHBondContact O-N 3.42Å; K639-H643 WeakPolarHBondContact O-CB 3.28Å; K639-H643 PolarHBondContact O-N 3.49Å
640F83.4Confident83.1Confident22 Ų2270.7 Ų70.710%0.09638%0.378CS..Hα-helixtrans-58.9-49.2171.5175.1-117.2000112.1C625 C627 F634 S636 F637 I642 H643 E644C625-F640 HydrophobicContact CB-CB 3.55Å; C625-F640 HydrophobicContact CB-CD1 3.89Å; C625-F640 HydrophobicContact CB-CD2 4.26Å; C625-F640 HydrophobicContact CB-CG 3.62Å; C627-F640 HydrophobicContact CB-CD2 4.36Å; C627-F640 HydrophobicContact CB-CE2 3.68Å; F634-F640 HydrophobicContact CB-CB 3.94Å; F634-F640 HydrophobicContact CD2-CB 4.02Å; F634-F640 AromaticContact CD2-CD2 3.69Å; F634-F640 HydrophobicContact CD2-CD2 3.69Å; F634-F640 HydrophobicContact CD2-CG 4.34Å; F634-F640 HydrophobicContact CE2-CD2 4.09Å; F634-F640 HydrophobicContact CG-CB 4.04Å; S636-F640 PolarHBondContact O-N 3.42Å; S636-F640 VanDerWaalsContact O-N 3.09Å; F637-F640 HydrophobicContact CD2-CD1 4.28Å; F637-F640 HydrophobicContact CE2-CD1 4.36Å; F637-F640 PolarHBondContact O-N 3.02Å; F640-I642 VanDerWaalsContact C-N 3.3Å; F640-I642 PolarHBondContact O-N 3.04Å; F640-H643 CarbonylContact O-C 3.53Å; F640-H643 WeakPolarHBondContact O-CA 3.32Å; F640-H643 VanDerWaalsContact O-CB 3.29Å; F640-H643 WeakPolarHBondContact O-CB 3.27Å; F640-H643 PolarHBondContact O-N 2.74Å; F640-E644 HydrophobicContact CD1-CG 4.37Å; F640-E644 HydrophobicContact CD2-CG 4.29Å; F640-E644 VanDerWaalsContact CE1-CD 3.44Å; F640-E644 HydrophobicContact CE1-CG 3.86Å; F640-E644 VanDerWaalsContact CE1-OE1 3.28Å; F640-E644 WeakPolarHBondContact CE1-OE1 3.36Å; F640-E644 HydrophobicContact CE2-CG 3.73Å; F640-E644 VanDerWaalsContact CZ-CD 3.48Å; F640-E644 HydrophobicContact CZ-CG 3.51Å; F640-E644 WeakPolarHBondContact CZ-OE1 3.37Å; F640-E644 PolarHBondContact O-N 3.25Å
641R82.8Confident83.1Confident129 Ų12973.7 Ų73.749%0.48739%0.385SS..Hα-helixtrans-57.4-37.3176.7-82.1-70.2-170.6-160.78.3114F637 H643 E644F637-R641 HydrophobicContact CD1-CG 3.87Å; F637-R641 HydrophobicContact CE1-CG 3.51Å; F637-R641 HydrophobicContact CE2-CG 4.33Å; F637-R641 HydrophobicContact CG-CG 4.44Å; F637-R641 HydrophobicContact CZ-CG 3.78Å; F637-R641 WeakPolarHBondContact O-CB 3.44Å; F637-R641 WeakPolarHBondContact O-CG 3.4Å; F637-R641 PolarHBondContact O-N 3.23Å; R641-H643 VanDerWaalsContact C-N 3.33Å; R641-E644 WeakPolarHBondContact CD-OE2 3.31Å; R641-E644 IonicContact CZ-OE2 2.67Å; R641-E644 IonicContact NE-OE2 3.9Å; R641-E644 IonicContact NH1-OE2 2.7Å; R641-E644 PolarHBondContact NH1-OE2 2.85Å
642I81.9Confident83Confident71 Ų7174.3 Ų74.336%0.36438%0.379SS..Hα-helixtrans-72.1-33.3174.8-66.3165.2000110.4S638 K639 F640 R645S638-I642 WeakPolarHBondContact O-CD1 3.33Å; S638-I642 VanDerWaalsContact O-CG1 3.31Å; S638-I642 WeakPolarHBondContact O-CG1 3.41Å; S638-I642 PolarHBondContact O-N 3.1Å; K639-I642 PolarHBondContact O-N 3.42Å; F640-I642 VanDerWaalsContact C-N 3.3Å; F640-I642 PolarHBondContact O-N 3.04Å; I642-R645 WeakPolarHBondContact O-CB 3.43Å; I642-R645 PolarHBondContact O-N 3.01Å
643H84.3Confident83.2Confident15 Ų1572.1 Ų72.17%0.06937%0.368CS..Hα-helixtrans-70.8-39.2176165.171.8000112.9C627 C630 F634 K639 F640 R641 R645 I646 H647C627-H643 WeakPolarHBondContact CB-NE2 3.23Å; C627-H643 PolarHBondContact SG-NE2 3.44Å; C627-H643 VanDerWaalsContact SG-NE2 3.37Å; C630-H643 PolarHBondContact SG-CE1 3.49Å; C630-H643 PolarHBondContact SG-NE2 3.35Å; F634-H643 HydrophobicContact CE1-CB 3.76Å; F634-H643 HydrophobicContact CE2-CB 3.88Å; F634-H643 AromaticContact CE2-CD2 3.18Å; F634-H643 WeakPolarHBondContact CE2-CD2 3.14Å; F634-H643 AromaticContact CE2-CG 3.47Å; F634-H643 VanDerWaalsContact CE2-CG 3.47Å; F634-H643 AromaticContact CE2-NE2 3.74Å; F634-H643 HydrophobicContact CZ-CB 3.36Å; F634-H643 AromaticContact CZ-CD2 3.37Å; F634-H643 WeakPolarHBondContact CZ-CD2 3.43Å; F634-H643 AromaticContact CZ-CG 3.1Å; F634-H643 AromaticContact CZ-ND1 3.57Å; F634-H643 AromaticContact CZ-NE2 3.89Å; K639-H643 WeakPolarHBondContact O-CB 3.28Å; K639-H643 PolarHBondContact O-N 3.49Å; F640-H643 CarbonylContact O-C 3.53Å; F640-H643 WeakPolarHBondContact O-CA 3.32Å; F640-H643 VanDerWaalsContact O-CB 3.29Å; F640-H643 WeakPolarHBondContact O-CB 3.27Å; F640-H643 PolarHBondContact O-N 2.74Å; R641-H643 VanDerWaalsContact C-N 3.33Å; H643-R645 PolarHBondContact O-N 3.43Å; H643-I646 WeakPolarHBondContact O-CB 3.28Å; H643-I646 WeakPolarHBondContact O-CG1 3.48Å; H643-I646 PolarHBondContact O-N 3.09Å; H643-H647 AromaticContact CE1-NE2 3.65Å; H643-H647 AromaticContact NE2-CD2 3.9Å; H643-H647 AromaticContact NE2-NE2 3.5Å; H643-H647 PolarHBondContact NE2-NE2 3.4Å
644E83.7Confident83.2Confident55 Ų5578.2 Ų78.226%0.25739%0.388SS..Hα-helixtrans-54-30.3174.6-72.8-173.5130.900111.9F640 R641 I646 H647 T648F640-E644 HydrophobicContact CD1-CG 4.37Å; F640-E644 HydrophobicContact CD2-CG 4.29Å; F640-E644 VanDerWaalsContact CE1-CD 3.44Å; F640-E644 HydrophobicContact CE1-CG 3.86Å; F640-E644 VanDerWaalsContact CE1-OE1 3.28Å; F640-E644 WeakPolarHBondContact CE1-OE1 3.36Å; F640-E644 HydrophobicContact CE2-CG 3.73Å; F640-E644 VanDerWaalsContact CZ-CD 3.48Å; F640-E644 HydrophobicContact CZ-CG 3.51Å; F640-E644 WeakPolarHBondContact CZ-OE1 3.37Å; F640-E644 PolarHBondContact O-N 3.25Å; R641-E644 WeakPolarHBondContact CD-OE2 3.31Å; R641-E644 IonicContact CZ-OE2 2.67Å; R641-E644 IonicContact NE-OE2 3.9Å; R641-E644 IonicContact NH1-OE2 2.7Å; R641-E644 PolarHBondContact NH1-OE2 2.85Å; E644-I646 PolarHBondContact O-N 3.5Å; E644-H647 WeakPolarHBondContact O-CB 3.35Å; E644-H647 PolarHBondContact O-N 3.48Å; E644-T648 PolarHBondContact O-N 3.22Å
645R84.9Confident83.4Confident54 Ų5476.3 Ų76.320%0.20438%0.38CS..Hα-helixtrans-65.9-17.2175.9-62.8175.8-175.8-168.6-9.3114.7I642 H643 H647 T648 G649 E650 T663I642-R645 WeakPolarHBondContact O-CB 3.43Å; I642-R645 PolarHBondContact O-N 3.01Å; H643-R645 PolarHBondContact O-N 3.43Å; R645-H647 VanDerWaalsContact C-N 3.3Å; R645-T648 WeakPolarHBondContact CA-OG1 3.33Å; R645-G649 CarbonylContact O-C 3.56Å; R645-G649 WeakPolarHBondContact O-CA 3.48Å; R645-G649 PolarHBondContact O-N 3.41Å; R645-E650 WeakPolarHBondContact CB-O 3.26Å; R645-E650 HydrophobicContact CG-CB 4.33Å; R645-E650 PolarHBondContact O-N 2.84Å; R645-T663 HydrophobicContact CB-CG2 4.31Å; R645-T663 WeakPolarHBondContact CD-O 3.41Å; R645-T663 PolarHBondContact NH1-O 2.79Å
646I81.6Confident83.5Confident117 Ų11783.7 Ų83.760%0.641%0.41SS*.Hα-helixtrans-69.8-36.7171.8-59177.8000109.4H643 E644H643-I646 WeakPolarHBondContact O-CB 3.28Å; H643-I646 WeakPolarHBondContact O-CG1 3.48Å; H643-I646 PolarHBondContact O-N 3.09Å; E644-I646 PolarHBondContact O-N 3.5Å
647H82.7Confident83.6Confident66 Ų6689.1 Ų89.131%0.30643%0.433SS..Hα-helixtrans-77.7-44.6177.8-68.7-69.6000112.4C627 Q629 C630 H643 E644 R645 G649C627-H647 VanDerWaalsContact SG-CD2 3.58Å; C627-H647 PolarHBondContact SG-NE2 3.4Å; C627-H647 VanDerWaalsContact SG-NE2 3.37Å; Q629-H647 PolarHBondContact OE1-ND1 3.34Å; C630-H647 PolarHBondContact SG-NE2 3.24Å; H643-H647 AromaticContact CE1-NE2 3.65Å; H643-H647 AromaticContact NE2-CD2 3.9Å; H643-H647 AromaticContact NE2-NE2 3.5Å; H643-H647 PolarHBondContact NE2-NE2 3.4Å; E644-H647 WeakPolarHBondContact O-CB 3.35Å; E644-H647 PolarHBondContact O-N 3.48Å; R645-H647 VanDerWaalsContact C-N 3.3Å; H647-G649 VanDerWaalsContact C-N 3.25Å; H647-G649 PolarHBondContact O-N 3Å
648T83.7Confident84Confident82 Ų8286.1 Ų86.150%0.50343%0.426SS..Hα-helixtrans-77.5-12.6179.266.40000113.2E644 R645 E650E644-T648 PolarHBondContact O-N 3.22Å; R645-T648 WeakPolarHBondContact CA-OG1 3.33Å; T648-E650 PolarHBondContact O-N 3.33Å; T648-E650 VanDerWaalsContact O-N 3.15Å; T648-E650 WeakPolarHBondContact OG1-CB 3.4Å; T648-E650 WeakPolarHBondContact OG1-CG 3.34Å; T648-E650 PolarHBondContact OG1-N 3.01Å
649G79.7Confident84.3Confident49 Ų4984.4 Ų84.451%0.50542%0.421SS..  trans69.21.6-173.200000114.4R645 H647 K651R645-G649 CarbonylContact O-C 3.56Å; R645-G649 WeakPolarHBondContact O-CA 3.48Å; R645-G649 PolarHBondContact O-N 3.41Å; H647-G649 VanDerWaalsContact C-N 3.25Å; H647-G649 PolarHBondContact O-N 3Å; G649-K651 PolarHBondContact O-N 3.36Å
650E82Confident84.6Confident114 Ų11484.1 Ų84.153%0.53342%0.42SS..  trans-63.9123.7-175.8-75.5-177.6-172.800112.1R645 T648 P652R645-E650 WeakPolarHBondContact CB-O 3.26Å; R645-E650 HydrophobicContact CG-CB 4.33Å; R645-E650 PolarHBondContact O-N 2.84Å; T648-E650 PolarHBondContact O-N 3.33Å; T648-E650 VanDerWaalsContact O-N 3.15Å; T648-E650 WeakPolarHBondContact OG1-CB 3.4Å; T648-E650 WeakPolarHBondContact OG1-CG 3.34Å; T648-E650 PolarHBondContact OG1-N 3.01Å; E650-P652 WeakPolarHBondContact O-CD 3.32Å
651K85.7Confident84.8Confident116 Ų11684.7 Ų84.750%0.50443%0.429SS..  trans-121.978.3175.3-70.1168.1176.4-179.90110.2G649 Y653 A661 F662 T663G649-K651 PolarHBondContact O-N 3.36Å; K651-Y653 VanDerWaalsContact C-N 3.26Å; K651-Y653 PolarHBondContact O-N 3.47Å; K651-A661 HydrophobicContact CB-CB 3.49Å; K651-A661 VanDerWaalsContact CB-CB 3.49Å; K651-A661 HydrophobicContact CD-CB 4.26Å; K651-A661 WeakPolarHBondContact CD-O 3.47Å; K651-A661 HydrophobicContact CG-CB 4.48Å; K651-A661 WeakPolarHBondContact O-CB 3.44Å; K651-F662 CarbonylContact C-O 3.5Å; K651-F662 WeakPolarHBondContact CA-O 3.29Å; K651-T663 HydrophobicContact CG-CG2 3.89Å
652P82.9Confident85Confident67 Ų6780.6 Ų80.644%0.43542%0.415SS..  trans-68.7-22.7-172.2-22.635.6000114.1E650 K654E650-P652 WeakPolarHBondContact O-CD 3.32Å; P652-K654 PolarHBondContact O-N 3.34Å
653Y86.8Confident85.1Confident80 Ų8079.2 Ų79.231%0.31441%0.409SS..EExtended strand (participates in β ladder)trans-92.591.4-174.1-57.3-75000110.1K651 A661 F662 H665K651-Y653 VanDerWaalsContact C-N 3.26Å; K651-Y653 PolarHBondContact O-N 3.47Å; Y653-A661 CarbonylContact O-C 3.49Å; Y653-A661 WeakPolarHBondContact O-CA 3.4Å; Y653-F662 PolarHBondContact N-O 3.28Å; Y653-F662 PolarHBondContact O-N 3.41Å; Y653-H665 HydrophobicContact CD1-CB 4.23Å; Y653-H665 HydrophobicContact CE1-CB 3.92Å; Y653-H665 HydrophobicContact CE2-CB 4.37Å
654K86.4Confident85.1Confident148 Ų14878.9 Ų78.964%0.64341%0.41SS*.EExtended strand (participates in β ladder)trans-88.3131.3177.8-62-175.7179.4-177.50110.9P652 K656 A661P652-K654 PolarHBondContact O-N 3.34Å; K654-K656 PolarHBondContact O-N 3.4Å; K654-A661 HydrophobicContact CG-CB 3.96Å
655C89.6Confident85.1Confident3 Ų380.5 Ų80.52%0.0242%0.418CS..  trans-66.8125.8168.4-178.60000109.2Q657 G659 K660 L668 H671 H675C655-Q657 VanDerWaalsContact C-N 3.27Å; C655-Q657 PolarHBondContact O-N 3.08Å; C655-G659 WeakPolarHBondContact O-CA 3.46Å; C655-G659 PolarHBondContact O-N 2.94Å; C655-K660 WeakPolarHBondContact CB-O 3.42Å; C655-K660 PolarHBondContact N-O 3.4Å; C655-L668 HydrophobicContact CB-CD1 3.68Å; C655-H671 PolarHBondContact SG-NE2 3.38Å; C655-H671 VanDerWaalsContact SG-NE2 3.43Å; C655-H675 VanDerWaalsContact SG-CD2 3.59Å; C655-H675 PolarHBondContact SG-NE2 3.36Å; C655-H675 VanDerWaalsContact SG-NE2 3.42Å
656K86.3Confident85.1Confident207 Ų20782.8 Ų82.890%0.944%0.442SS*.THydrogen-bonded Turntrans-67.8-28.8179.2-65.5-174.6178.6-175.90112.7K654K654-K656 PolarHBondContact O-N 3.4Å
657Q84.2Confident85.3Confident139 Ų13978.9 Ų78.965%0.6543%0.425SS*.THydrogen-bonded Turntrans-86-34.2-174.8-73.7169.8-26.300113.8C655 H675C655-Q657 VanDerWaalsContact C-N 3.27Å; C655-Q657 PolarHBondContact O-N 3.08Å; Q657-H675 PolarHBondContact OE1-CD2 3.36Å; Q657-H675 VanDerWaalsContact OE1-CD2 3.25Å
658C88.7Confident85.5Confident54 Ų5476.4 Ų76.437%0.36541%0.414SS..THydrogen-bonded Turntrans-126.85.2179.971.80000115.2K660 H671 H675C658-K660 PolarHBondContact O-N 2.78Å; C658-K660 VanDerWaalsContact SG-CG 3.58Å; C658-H671 PolarHBondContact SG-CE1 2.9Å; C658-H671 PolarHBondContact SG-NE2 3.19Å; C658-H675 PolarHBondContact SG-NE2 2.9Å
659G86.4Confident85.6Confident49 Ų4979.5 Ų79.551%0.50542%0.416SS..  trans71.1-10.5179.500000115.5C655 A661C655-G659 WeakPolarHBondContact O-CA 3.46Å; C655-G659 PolarHBondContact O-N 2.94Å; G659-A661 PolarHBondContact O-N 3.13Å
660K88.1Confident86Confident130 Ų13083.5 Ų83.557%0.56542%0.416SS*.  trans-56.5127.9-179.8-73.4-178.7-178.7175.60110.8C655 C658 F662C655-K660 WeakPolarHBondContact CB-O 3.42Å; C655-K660 PolarHBondContact N-O 3.4Å; C658-K660 PolarHBondContact O-N 2.78Å; C658-K660 VanDerWaalsContact SG-CG 3.58Å; K660-F662 HydrophobicContact CB-CE2 3.86Å; K660-F662 HydrophobicContact CB-CZ 4.02Å; K660-F662 WeakPolarHBondContact O-CE2 3.45Å
661A88.2Confident86.2Confident33 Ų3378.8 Ų78.827%0.27339%0.394SS..EExtended strand (participates in β ladder)trans-102.8140.1-175.500000111.2K651 Y653 K654 G659K651-A661 HydrophobicContact CB-CB 3.49Å; K651-A661 VanDerWaalsContact CB-CB 3.49Å; K651-A661 HydrophobicContact CD-CB 4.26Å; K651-A661 WeakPolarHBondContact CD-O 3.47Å; K651-A661 HydrophobicContact CG-CB 4.48Å; K651-A661 WeakPolarHBondContact O-CB 3.44Å; Y653-A661 CarbonylContact O-C 3.49Å; Y653-A661 WeakPolarHBondContact O-CA 3.4Å; K654-A661 HydrophobicContact CG-CB 3.96Å; G659-A661 PolarHBondContact O-N 3.13Å
662F87Confident86.3Confident44 Ų4476.1 Ų76.119%0.19338%0.383CS..EExtended strand (participates in β ladder)trans-126.1149.6-178.3-59.2-89.3000111.4K651 Y653 K660 G664 L668 H671K651-F662 CarbonylContact C-O 3.5Å; K651-F662 WeakPolarHBondContact CA-O 3.29Å; Y653-F662 PolarHBondContact N-O 3.28Å; Y653-F662 PolarHBondContact O-N 3.41Å; K660-F662 HydrophobicContact CB-CE2 3.86Å; K660-F662 HydrophobicContact CB-CZ 4.02Å; K660-F662 WeakPolarHBondContact O-CE2 3.45Å; F662-G664 VanDerWaalsContact C-N 3.3Å; F662-G664 PolarHBondContact O-N 3.4Å; F662-L668 HydrophobicContact CB-CB 4.35Å; F662-L668 HydrophobicContact CD2-CB 3.93Å; F662-L668 HydrophobicContact CD2-CD1 3.82Å; F662-L668 HydrophobicContact CE2-CD1 4.02Å; F662-L668 HydrophobicContact CG-CB 4.34Å; F662-H671 HydrophobicContact CE1-CB 3.94Å; F662-H671 HydrophobicContact CE2-CB 3.75Å; F662-H671 AromaticContact CE2-CD2 3.35Å; F662-H671 WeakPolarHBondContact CE2-CD2 3.42Å; F662-H671 AromaticContact CE2-CG 3.5Å; F662-H671 VanDerWaalsContact CE2-CG 3.5Å; F662-H671 HydrophobicContact CZ-CB 3.35Å; F662-H671 AromaticContact CZ-CD2 3.55Å; F662-H671 AromaticContact CZ-CG 3.19Å; F662-H671 AromaticContact CZ-ND1 3.67Å
663T85Confident86.5Confident41 Ų4176.5 Ų76.525%0.25238%0.376SS..SBendtrans-72.6-23.1177.753.30000112.8R645 K651R645-T663 HydrophobicContact CB-CG2 4.31Å; R645-T663 WeakPolarHBondContact CD-O 3.41Å; R645-T663 PolarHBondContact NH1-O 2.79Å; K651-T663 HydrophobicContact CG-CG2 3.89Å
664G82.7Confident86.5Confident9 Ų977.2 Ų77.29%0.09339%0.385CS..SBendtrans-137.1149.2-176.500000113.7F662 S666 S667 L668F662-G664 VanDerWaalsContact C-N 3.3Å; F662-G664 PolarHBondContact O-N 3.4Å; G664-S666 PolarHBondContact O-N 3.37Å; G664-S667 WeakPolarHBondContact O-CB 3.39Å; G664-S667 PolarHBondContact O-N 3.36Å; G664-L668 PolarHBondContact O-N 3.05Å
665H85.6Confident86.5Confident89 Ų8973.7 Ų73.741%0.41237%0.37SS..Hα-helixtrans-62.3-38.3-180-176.6-90.2000112.9Y653 S667 L668 R669Y653-H665 HydrophobicContact CD1-CB 4.23Å; Y653-H665 HydrophobicContact CE1-CB 3.92Å; Y653-H665 HydrophobicContact CE2-CB 4.37Å; H665-S667 VanDerWaalsContact C-N 3.27Å; H665-S667 PolarHBondContact O-N 2.95Å; H665-L668 PolarHBondContact O-N 3.12Å; H665-R669 WeakPolarHBondContact O-CB 3.47Å; H665-R669 WeakPolarHBondContact O-CG 3.21Å; H665-R669 PolarHBondContact O-N 3.16Å
666S83.1Confident86.3Confident101 Ų10176.6 Ų76.671%0.70639%0.391SS*.Hα-helixtrans-63.2-33.4176.8-53.40000112.7G664 R670G664-S666 PolarHBondContact O-N 3.37Å; S666-R670 WeakPolarHBondContact O-CB 3.02Å; S666-R670 PolarHBondContact O-N 3.37Å
667S86.2Confident86.1Confident35 Ų3569 Ų6925%0.24537%0.371CS..Hα-helixtrans-71.3-41.3177.2-58.30000111.4G664 H665 R670 H671G664-S667 WeakPolarHBondContact O-CB 3.39Å; G664-S667 PolarHBondContact O-N 3.36Å; H665-S667 VanDerWaalsContact C-N 3.27Å; H665-S667 PolarHBondContact O-N 2.95Å; S667-R670 PolarHBondContact O-N 3.1Å; S667-H671 WeakPolarHBondContact O-CB 3.34Å; S667-H671 PolarHBondContact O-N 3.42Å
668L87.7Confident86Confident15 Ų1568 Ų688%0.07937%0.366CS..Hα-helixtrans-61.9-52.4172.5173.263.7000110.9C655 F662 G664 H665 R670 H671 E672C655-L668 HydrophobicContact CB-CD1 3.68Å; F662-L668 HydrophobicContact CB-CB 4.35Å; F662-L668 HydrophobicContact CD2-CB 3.93Å; F662-L668 HydrophobicContact CD2-CD1 3.82Å; F662-L668 HydrophobicContact CE2-CD1 4.02Å; F662-L668 HydrophobicContact CG-CB 4.34Å; G664-L668 PolarHBondContact O-N 3.05Å; H665-L668 PolarHBondContact O-N 3.12Å; L668-R670 VanDerWaalsContact C-N 3.28Å; L668-R670 PolarHBondContact O-N 3.03Å; L668-H671 CarbonylContact O-C 3.51Å; L668-H671 WeakPolarHBondContact O-CA 3.4Å; L668-H671 WeakPolarHBondContact O-CB 3.22Å; L668-H671 PolarHBondContact O-N 3.35Å; L668-E672 HydrophobicContact CD1-CG 4.1Å; L668-E672 HydrophobicContact CG-CG 4.29Å; L668-E672 WeakPolarHBondContact O-CG 3.48Å; L668-E672 PolarHBondContact O-N 2.91Å
669R85.9Confident86Confident146 Ų14669.5 Ų69.555%0.55137%0.366SS*.Hα-helixtrans-52.6-43.9176.6-82.5-78.2-157.8-129.72112.8H665 H671 E672H665-R669 WeakPolarHBondContact O-CB 3.47Å; H665-R669 WeakPolarHBondContact O-CG 3.21Å; H665-R669 PolarHBondContact O-N 3.16Å; R669-H671 VanDerWaalsContact C-N 3.32Å; R669-E672 IonicContact NH1-OE2 3.58Å; R669-E672 PolarHBondContact O-N 3.32Å
670R87Confident85.9Confident133 Ų13370.6 Ų70.650%0.50237%0.365SS..Hα-helixtrans-65.7-37.4176.1177.8177.961.1-176.22.8111.6S666 S667 L668 R673 T692S666-R670 WeakPolarHBondContact O-CB 3.02Å; S666-R670 PolarHBondContact O-N 3.37Å; S667-R670 PolarHBondContact O-N 3.1Å; L668-R670 VanDerWaalsContact C-N 3.28Å; L668-R670 PolarHBondContact O-N 3.03Å; R670-R673 WeakPolarHBondContact O-CB 3.2Å; R670-R673 PolarHBondContact O-N 3.34Å; R670-T692 HydrophobicContact CG-CG2 3.95Å
671H87.4Confident85.9Confident15 Ų1567.2 Ų67.27%0.06935%0.35CS..Hα-helixtrans-70.7-37.5177.2163.972.4000112.6C655 C658 F662 S667 L668 R669 R673 I674 H675C655-H671 PolarHBondContact SG-NE2 3.38Å; C655-H671 VanDerWaalsContact SG-NE2 3.43Å; C658-H671 PolarHBondContact SG-CE1 2.9Å; C658-H671 PolarHBondContact SG-NE2 3.19Å; F662-H671 HydrophobicContact CE1-CB 3.94Å; F662-H671 HydrophobicContact CE2-CB 3.75Å; F662-H671 AromaticContact CE2-CD2 3.35Å; F662-H671 WeakPolarHBondContact CE2-CD2 3.42Å; F662-H671 AromaticContact CE2-CG 3.5Å; F662-H671 VanDerWaalsContact CE2-CG 3.5Å; F662-H671 HydrophobicContact CZ-CB 3.35Å; F662-H671 AromaticContact CZ-CD2 3.55Å; F662-H671 AromaticContact CZ-CG 3.19Å; F662-H671 AromaticContact CZ-ND1 3.67Å; S667-H671 WeakPolarHBondContact O-CB 3.34Å; S667-H671 PolarHBondContact O-N 3.42Å; L668-H671 CarbonylContact O-C 3.51Å; L668-H671 WeakPolarHBondContact O-CA 3.4Å; L668-H671 WeakPolarHBondContact O-CB 3.22Å; L668-H671 PolarHBondContact O-N 3.35Å; R669-H671 VanDerWaalsContact C-N 3.32Å; H671-R673 PolarHBondContact O-N 3.21Å; H671-R673 VanDerWaalsContact O-N 3.11Å; H671-I674 VanDerWaalsContact O-CB 3.24Å; H671-I674 WeakPolarHBondContact O-CB 3.47Å; H671-I674 WeakPolarHBondContact O-CG1 3.48Å; H671-I674 PolarHBondContact O-N 3.38Å; H671-H675 AromaticContact CE1-NE2 3.61Å; H671-H675 AromaticContact NE2-CD2 3.87Å; H671-H675 AromaticContact NE2-NE2 3.28Å; H671-H675 PolarHBondContact NE2-NE2 2.99Å
672E87.6Confident85.9Confident60 Ų6069.5 Ų69.528%0.2836%0.36SS..Hα-helixtrans-56.8-27175.5-72.3173.5158.800112L668 R669 I674 H675 S676L668-E672 HydrophobicContact CD1-CG 4.1Å; L668-E672 HydrophobicContact CG-CG 4.29Å; L668-E672 WeakPolarHBondContact O-CG 3.48Å; L668-E672 PolarHBondContact O-N 2.91Å; R669-E672 IonicContact NH1-OE2 3.58Å; R669-E672 PolarHBondContact O-N 3.32Å; E672-I674 PolarHBondContact O-N 2.91Å; E672-H675 PolarHBondContact O-N 3.42Å; E672-S676 PolarHBondContact O-N 3.44Å
673R87.4Confident86Confident75 Ų7567.4 Ų67.428%0.28335%0.351SS..Hα-helixtrans-61.8-24.6172.9-63.3-178.4179.8168.4-2.8114.4R670 H671 H675 S676 G677 E678 Y691R670-R673 WeakPolarHBondContact O-CB 3.2Å; R670-R673 PolarHBondContact O-N 3.34Å; H671-R673 PolarHBondContact O-N 3.21Å; H671-R673 VanDerWaalsContact O-N 3.11Å; R673-H675 VanDerWaalsContact C-N 3.26Å; R673-S676 WeakPolarHBondContact CA-OG 3.44Å; R673-G677 WeakPolarHBondContact O-CA 3.35Å; R673-G677 PolarHBondContact O-N 2.7Å; R673-E678 PolarHBondContact O-N 3.13Å; R673-Y691 HydrophobicContact CB-CD1 3.97Å; R673-Y691 PolarHBondContact NH1-O 2.91Å; R673-Y691 WeakPolarHBondContact O-CE1 3.25Å
674I85.1Confident85.9Confident96 Ų9675 Ų7549%0.49238%0.381SS..Hα-helixtrans-68.2-34.4175.4-58.7174.5000109.7H671 E672H671-I674 VanDerWaalsContact O-CB 3.24Å; H671-I674 WeakPolarHBondContact O-CB 3.47Å; H671-I674 WeakPolarHBondContact O-CG1 3.48Å; H671-I674 PolarHBondContact O-N 3.38Å; E672-I674 PolarHBondContact O-N 2.91Å
675H86.6Confident85.9Confident73 Ų7380.6 Ų80.634%0.33841%0.405SS..Hα-helixtrans-83.2-38178.5-62-59.6000113C655 Q657 C658 H671 E672 R673 G677C655-H675 VanDerWaalsContact SG-CD2 3.59Å; C655-H675 PolarHBondContact SG-NE2 3.36Å; C655-H675 VanDerWaalsContact SG-NE2 3.42Å; Q657-H675 PolarHBondContact OE1-CD2 3.36Å; Q657-H675 VanDerWaalsContact OE1-CD2 3.25Å; C658-H675 PolarHBondContact SG-NE2 2.9Å; H671-H675 AromaticContact CE1-NE2 3.61Å; H671-H675 AromaticContact NE2-CD2 3.87Å; H671-H675 AromaticContact NE2-NE2 3.28Å; H671-H675 PolarHBondContact NE2-NE2 2.99Å; E672-H675 PolarHBondContact O-N 3.42Å; R673-H675 VanDerWaalsContact C-N 3.26Å; H675-G677 PolarHBondContact O-N 3.49Å
676S85.5Confident86Confident65 Ų6578.8 Ų78.846%0.45540%0.401SS..Hα-helixtrans-73.6-14.6174.666.50000113.1E672 R673 E678E672-S676 PolarHBondContact O-N 3.44Å; R673-S676 WeakPolarHBondContact CA-OG 3.44Å; S676-E678 PolarHBondContact O-N 3.43Å; S676-E678 VanDerWaalsContact O-N 3.13Å; S676-E678 WeakPolarHBondContact OG-CB 3.36Å; S676-E678 WeakPolarHBondContact OG-CG 3.41Å; S676-E678 PolarHBondContact OG-N 3.03Å
677G81.8Confident86.2Confident46 Ų4676.4 Ų76.447%0.47439%0.392SS..  trans690.1-172.400000113.7R673 H675 K679R673-G677 WeakPolarHBondContact O-CA 3.35Å; R673-G677 PolarHBondContact O-N 2.7Å; H675-G677 PolarHBondContact O-N 3.49Å; G677-K679 PolarHBondContact O-N 3.42Å
678E84Confident86.3Confident120 Ų12080.6 Ų80.656%0.56141%0.406SS*.  trans-67.1118.2-177.4-71.5178.2-171.100111R673 S676 P680 Y691R673-E678 PolarHBondContact O-N 3.13Å; S676-E678 PolarHBondContact O-N 3.43Å; S676-E678 VanDerWaalsContact O-N 3.13Å; S676-E678 WeakPolarHBondContact OG-CB 3.36Å; S676-E678 WeakPolarHBondContact OG-CG 3.41Å; S676-E678 PolarHBondContact OG-N 3.03Å; E678-P680 WeakPolarHBondContact O-CD 3.43Å; E678-Y691 WeakPolarHBondContact O-CD1 3.49Å
679K86.8Confident86.2Confident84 Ų8482.1 Ų82.137%0.36542%0.418SS..  trans-118.680.1174.5-70.7171.1174.5-176.80109.5G677 F681 S689 F690 Y691G677-K679 PolarHBondContact O-N 3.42Å; K679-F681 PolarHBondContact O-N 2.91Å; K679-F681 VanDerWaalsContact O-N 3.12Å; K679-S689 WeakPolarHBondContact CB-OG 3.37Å; K679-S689 WeakPolarHBondContact CD-O 3.38Å; K679-S689 VanDerWaalsContact CD-OG 3.28Å; K679-S689 WeakPolarHBondContact CD-OG 3.41Å; K679-F690 CarbonylContact C-O 3.33Å; K679-F690 WeakPolarHBondContact CA-O 3.11Å; K679-Y691 HydrophobicContact CD-CE1 4.26Å; K679-Y691 VanDerWaalsContact CE-OH 3.28Å; K679-Y691 WeakPolarHBondContact CE-OH 3.39Å; K679-Y691 HydrophobicContact CG-CD1 3.64Å; K679-Y691 HydrophobicContact CG-CE1 3.51Å; K679-Y691 HydrophobicContact CG-CG 4.21Å
680P84.7Confident86.3Confident72 Ų7277.1 Ų77.147%0.46840%0.401SS..  trans-67.6-16.1-169.1-20.433.2000114.6E678E678-P680 WeakPolarHBondContact O-CD 3.43Å
681F88.3Confident86.3Confident59 Ų5974.3 Ų74.326%0.25939%0.39SS..EExtended strand (participates in β ladder)trans-103.1102.6-173.3-55.7-77.7000109.7K679 S689 F690 T692 L693 C696K679-F681 PolarHBondContact O-N 2.91Å; K679-F681 VanDerWaalsContact O-N 3.12Å; F681-S689 CarbonylContact O-C 3.55Å; F681-S689 WeakPolarHBondContact O-CA 3.42Å; F681-F690 HydrophobicContact CB-CB 4.49Å; F681-F690 PolarHBondContact N-O 3.44Å; F681-F690 PolarHBondContact O-N 2.96Å; F681-T692 VanDerWaalsContact CD2-CA 3.5Å; F681-L693 HydrophobicContact CD1-CB 3.8Å; F681-L693 HydrophobicContact CD1-CD1 3.79Å; F681-L693 HydrophobicContact CD1-CG 4.39Å; F681-L693 VanDerWaalsContact CD2-N 3.28Å; F681-L693 HydrophobicContact CE1-CB 3.66Å; F681-L693 HydrophobicContact CE1-CD1 4.15Å; F681-L693 HydrophobicContact CE1-CG 4.4Å; F681-L693 HydrophobicContact CE2-CB 4.49Å; F681-L693 HydrophobicContact CG-CB 4.29Å; F681-L693 HydrophobicContact CZ-CB 4.02Å; F681-C696 HydrophobicContact CB-CB 3.82Å
682V87.5Confident86.2Confident81 Ų8174.4 Ų74.449%0.49139%0.392SS..EExtended strand (participates in β ladder)trans-98.8126.5-179.4-175.20000109K684 G687V682-K684 PolarHBondContact O-N 3.5Å; V682-G687 WeakPolarHBondContact CG1-O 3.46Å
683C89.4Confident86.2Confident0 Ų075.8 Ų75.80%040%0.401CS..  trans-66.2122.8171.2176.60000109Q685 C686 G687 K688 F690 C696C683-Q685 PolarHBondContact O-N 3.38Å; C683-C686 VanDerWaalsContact SG-SG 3.68Å; C683-G687 VanDerWaalsContact O-CA 3.29Å; C683-G687 WeakPolarHBondContact O-CA 3.37Å; C683-G687 PolarHBondContact O-N 3.34Å; C683-K688 WeakPolarHBondContact CB-O 3.4Å; C683-K688 PolarHBondContact N-O 3.4Å; C683-F690 HydrophobicContact CB-CE2 4.15Å; C683-C696 PolarHBondContact N-SG 3.34Å
684K83.8Confident86.1Confident202 Ų20275.5 Ų75.588%0.87841%0.411SS*.THydrogen-bonded Turntrans-65-26-177.1-62.6-173.3-179.3-177.50113.5V682V682-K684 PolarHBondContact O-N 3.5Å
685Q82.3Confident86.2Confident126 Ų12672.9 Ų72.959%0.58940%0.398SS*.THydrogen-bonded Turntrans-89.4-28.1-173.1-72.8174.9-25.300114.1C683 H703C683-Q685 PolarHBondContact O-N 3.38Å; Q685-H703 PolarHBondContact OE1-CD2 3.29Å; Q685-H703 VanDerWaalsContact OE1-CD2 3.3Å
686C88.2Confident86.2Confident51 Ų5169.7 Ų69.735%0.34538%0.383SS..THydrogen-bonded Turntrans-130.21.9179.870.10000114.8C683 K688 H699 H703C683-C686 VanDerWaalsContact SG-SG 3.68Å; C686-K688 PolarHBondContact O-N 2.98Å; C686-K688 VanDerWaalsContact O-N 3.08Å; C686-K688 VanDerWaalsContact SG-CB 3.59Å; C686-K688 VanDerWaalsContact SG-CG 3.56Å; C686-H699 PolarHBondContact SG-NE2 2.93Å; C686-H703 PolarHBondContact SG-NE2 3.15Å; C686-H703 VanDerWaalsContact SG-NE2 3.4Å
687G86Confident86.2Confident50 Ų5071.6 Ų71.652%0.51539%0.385SS..  trans700.1-179.800000115.2V682 C683 S689V682-G687 WeakPolarHBondContact CG1-O 3.46Å; C683-G687 VanDerWaalsContact O-CA 3.29Å; C683-G687 WeakPolarHBondContact O-CA 3.37Å; C683-G687 PolarHBondContact O-N 3.34Å; G687-S689 PolarHBondContact O-N 3.18Å
688K88.3Confident86.3Confident123 Ų12375 Ų7554%0.53538%0.383SS..  trans-64.9129.3178.1-71.8177.9-177.9174.80110.3C683 C686 F690C683-K688 WeakPolarHBondContact CB-O 3.4Å; C683-K688 PolarHBondContact N-O 3.4Å; C686-K688 PolarHBondContact O-N 2.98Å; C686-K688 VanDerWaalsContact O-N 3.08Å; C686-K688 VanDerWaalsContact SG-CB 3.59Å; C686-K688 VanDerWaalsContact SG-CG 3.56Å; K688-F690 HydrophobicContact CB-CE2 3.71Å; K688-F690 HydrophobicContact CB-CZ 3.82Å; K688-F690 WeakPolarHBondContact O-CD2 3.47Å; K688-F690 WeakPolarHBondContact O-CE2 3Å
689S87.2Confident86.4Confident47 Ų4770.3 Ų70.333%0.32936%0.361SS..EExtended strand (participates in β ladder)trans-98.6143.5-179.963.30000111.7K679 F681 G687K679-S689 WeakPolarHBondContact CB-OG 3.37Å; K679-S689 WeakPolarHBondContact CD-O 3.38Å; K679-S689 VanDerWaalsContact CD-OG 3.28Å; K679-S689 WeakPolarHBondContact CD-OG 3.41Å; F681-S689 CarbonylContact O-C 3.55Å; F681-S689 WeakPolarHBondContact O-CA 3.42Å; G687-S689 PolarHBondContact O-N 3.18Å
690F88.3Confident86.3Confident42 Ų4269.3 Ų69.318%0.18436%0.358CS..EExtended strand (participates in β ladder)trans-131.4152.2-174.8-60.9-86.6000111.8K679 F681 C683 K688 T692 D695 C696 H699K679-F690 CarbonylContact C-O 3.33Å; K679-F690 WeakPolarHBondContact CA-O 3.11Å; F681-F690 HydrophobicContact CB-CB 4.49Å; F681-F690 PolarHBondContact N-O 3.44Å; F681-F690 PolarHBondContact O-N 2.96Å; C683-F690 HydrophobicContact CB-CE2 4.15Å; K688-F690 HydrophobicContact CB-CE2 3.71Å; K688-F690 HydrophobicContact CB-CZ 3.82Å; K688-F690 WeakPolarHBondContact O-CD2 3.47Å; K688-F690 WeakPolarHBondContact O-CE2 3Å; F690-T692 VanDerWaalsContact C-N 3.34Å; F690-D695 HydrophobicContact CB-CB 3.9Å; F690-D695 HydrophobicContact CD1-CB 3.92Å; F690-D695 HydrophobicContact CG-CB 4.17Å; F690-C696 HydrophobicContact CB-CB 4.15Å; F690-C696 HydrophobicContact CD2-CB 3.76Å; F690-C696 HydrophobicContact CG-CB 4.18Å; F690-H699 HydrophobicContact CE1-CB 3.86Å; F690-H699 HydrophobicContact CE2-CB 3.72Å; F690-H699 AromaticContact CE2-CD2 3.44Å; F690-H699 VanDerWaalsContact CE2-CD2 3.44Å; F690-H699 WeakPolarHBondContact CE2-CD2 3.4Å; F690-H699 AromaticContact CE2-CG 3.6Å; F690-H699 HydrophobicContact CZ-CB 3.33Å; F690-H699 AromaticContact CZ-CD2 3.42Å; F690-H699 VanDerWaalsContact CZ-CD2 3.42Å; F690-H699 WeakPolarHBondContact CZ-CD2 3.06Å; F690-H699 AromaticContact CZ-CG 3.14Å; F690-H699 AromaticContact CZ-ND1 3.71Å
691Y85.8Confident86.2Confident74 Ų7468.3 Ų68.329%0.2935%0.347SS..SBendtrans-74.1-24179.9-60.3-70.1000113.3R673 E678 K679R673-Y691 HydrophobicContact CB-CD1 3.97Å; R673-Y691 PolarHBondContact NH1-O 2.91Å; R673-Y691 WeakPolarHBondContact O-CE1 3.25Å; E678-Y691 WeakPolarHBondContact O-CD1 3.49Å; K679-Y691 HydrophobicContact CD-CE1 4.26Å; K679-Y691 VanDerWaalsContact CE-OH 3.28Å; K679-Y691 WeakPolarHBondContact CE-OH 3.39Å; K679-Y691 HydrophobicContact CG-CD1 3.64Å; K679-Y691 HydrophobicContact CG-CE1 3.51Å; K679-Y691 HydrophobicContact CG-CG 4.21Å
692T86.3Confident86Confident16 Ų1671.1 Ų71.110%0.09836%0.364CS..SBendtrans-133.6150.8179.176.90000112.1R670 F681 F690 S694 D695 C696R670-T692 HydrophobicContact CG-CG2 3.95Å; F681-T692 VanDerWaalsContact CD2-CA 3.5Å; F690-T692 VanDerWaalsContact C-N 3.34Å; T692-S694 VanDerWaalsContact C-N 3.25Å; T692-S694 PolarHBondContact O-N 3.2Å; T692-S694 PolarHBondContact OG1-OG 2.83Å; T692-D695 PolarHBondContact O-N 3.3Å; T692-D695 VanDerWaalsContact O-N 3.11Å; T692-D695 WeakPolarHBondContact OG1-CB 3.43Å; T692-D695 PolarHBondContact OG1-N 3.43Å; T692-D695 VanDerWaalsContact OG1-N 3.11Å; T692-D695 PolarHBondContact OG1-OD2 3.4Å; T692-C696 PolarHBondContact O-N 2.74Å
693L87.4Confident85.8Confident89 Ų8971.1 Ų71.147%0.46636%0.358SS..Hα-helixtrans-58.2-40.6174.8-17862000111.5F681 D695 C696 Q697F681-L693 HydrophobicContact CD1-CB 3.8Å; F681-L693 HydrophobicContact CD1-CD1 3.79Å; F681-L693 HydrophobicContact CD1-CG 4.39Å; F681-L693 VanDerWaalsContact CD2-N 3.28Å; F681-L693 HydrophobicContact CE1-CB 3.66Å; F681-L693 HydrophobicContact CE1-CD1 4.15Å; F681-L693 HydrophobicContact CE1-CG 4.4Å; F681-L693 HydrophobicContact CE2-CB 4.49Å; F681-L693 HydrophobicContact CG-CB 4.29Å; F681-L693 HydrophobicContact CZ-CB 4.02Å; L693-D695 VanDerWaalsContact C-N 3.27Å; L693-D695 PolarHBondContact O-N 3.03Å; L693-C696 WeakPolarHBondContact O-CB 3.39Å; L693-C696 PolarHBondContact O-N 3.45Å; L693-Q697 HydrophobicContact CD1-CG 4.25Å; L693-Q697 HydrophobicContact CG-CG 4.26Å; L693-Q697 WeakPolarHBondContact O-CB 3.47Å; L693-Q697 WeakPolarHBondContact O-CG 3.46Å; L693-Q697 PolarHBondContact O-N 2.91Å
694S84.4Confident85.5Confident70 Ų7074.6 Ų74.649%0.4938%0.379SS..Hα-helixtrans-63.1-32.2177.445.10000113.1T692 R698T692-S694 VanDerWaalsContact C-N 3.25Å; T692-S694 PolarHBondContact O-N 3.2Å; T692-S694 PolarHBondContact OG1-OG 2.83Å; S694-R698 WeakPolarHBondContact O-CB 3.36Å; S694-R698 PolarHBondContact O-N 3.21Å
695D87.3Confident85.3Confident41 Ų4167.3 Ų67.322%0.21936%0.362CS..Hα-helixtrans-72.1-39175.6-66-41.3000111.3F690 T692 L693 R698 H699F690-D695 HydrophobicContact CB-CB 3.9Å; F690-D695 HydrophobicContact CD1-CB 3.92Å; F690-D695 HydrophobicContact CG-CB 4.17Å; T692-D695 PolarHBondContact O-N 3.3Å; T692-D695 VanDerWaalsContact O-N 3.11Å; T692-D695 WeakPolarHBondContact OG1-CB 3.43Å; T692-D695 PolarHBondContact OG1-N 3.43Å; T692-D695 VanDerWaalsContact OG1-N 3.11Å; T692-D695 PolarHBondContact OG1-OD2 3.4Å; L693-D695 VanDerWaalsContact C-N 3.27Å; L693-D695 PolarHBondContact O-N 3.03Å; D695-R698 IonicContact OD1-CZ 3.75Å; D695-R698 IonicContact OD1-NE 3.43Å; D695-R698 IonicContact OD1-NH2 3.59Å; D695-R698 PolarHBondContact OD1-NH2 3Å; D695-H699 VanDerWaalsContact O-CB 3.3Å; D695-H699 WeakPolarHBondContact O-CB 3.29Å; D695-H699 PolarHBondContact O-N 3.25Å
696C86.8Confident85.2Confident5 Ų566.8 Ų66.83%0.03436%0.359CS..Hα-helixtrans-65.3-50.7174.4-169.20000111.7F681 C683 F690 T692 L693 R698 H699 E700F681-C696 HydrophobicContact CB-CB 3.82Å; C683-C696 PolarHBondContact N-SG 3.34Å; F690-C696 HydrophobicContact CB-CB 4.15Å; F690-C696 HydrophobicContact CD2-CB 3.76Å; F690-C696 HydrophobicContact CG-CB 4.18Å; T692-C696 PolarHBondContact O-N 2.74Å; L693-C696 WeakPolarHBondContact O-CB 3.39Å; L693-C696 PolarHBondContact O-N 3.45Å; C696-R698 VanDerWaalsContact C-N 3.3Å; C696-R698 PolarHBondContact O-N 3.11Å; C696-H699 CarbonylContact O-C 3.36Å; C696-H699 WeakPolarHBondContact O-CA 3.45Å; C696-H699 WeakPolarHBondContact O-CB 3.41Å; C696-H699 PolarHBondContact O-N 3.36Å; C696-E700 WeakPolarHBondContact O-CG 3.37Å; C696-E700 PolarHBondContact O-N 3.09Å
697Q84.8Confident85Confident105 Ų10570 Ų7049%0.49137%0.367SS..Hα-helixtrans-59.9-40.9176.7-72.8176.8-30.500112L693 H699 E700 Q701L693-Q697 HydrophobicContact CD1-CG 4.25Å; L693-Q697 HydrophobicContact CG-CG 4.26Å; L693-Q697 WeakPolarHBondContact O-CB 3.47Å; L693-Q697 WeakPolarHBondContact O-CG 3.46Å; L693-Q697 PolarHBondContact O-N 2.91Å; Q697-H699 VanDerWaalsContact C-N 3.28Å; Q697-H699 PolarHBondContact O-N 3.42Å; Q697-E700 PolarHBondContact O-N 2.99Å; Q697-Q701 PolarHBondContact O-N 3.17Å
698R85.2Confident84.8Confident117 Ų11771.2 Ų71.244%0.44237%0.366SS..Hα-helixtrans-63.8-36.3173.9175.2172.860.3158.3-1.2112.1S694 D695 C696S694-R698 WeakPolarHBondContact O-CB 3.36Å; S694-R698 PolarHBondContact O-N 3.21Å; D695-R698 IonicContact OD1-CZ 3.75Å; D695-R698 IonicContact OD1-NE 3.43Å; D695-R698 IonicContact OD1-NH2 3.59Å; D695-R698 PolarHBondContact OD1-NH2 3Å; C696-R698 VanDerWaalsContact C-N 3.3Å; C696-R698 PolarHBondContact O-N 3.11Å
699H86Confident84.7Confident22 Ų2268.9 Ų68.910%0.10236%0.356CS..Hα-helixtrans-70.4-37.8175.9172.168000111.9C686 F690 D695 C696 Q697 Q701 I702 H703C686-H699 PolarHBondContact SG-NE2 2.93Å; F690-H699 HydrophobicContact CE1-CB 3.86Å; F690-H699 HydrophobicContact CE2-CB 3.72Å; F690-H699 AromaticContact CE2-CD2 3.44Å; F690-H699 VanDerWaalsContact CE2-CD2 3.44Å; F690-H699 WeakPolarHBondContact CE2-CD2 3.4Å; F690-H699 AromaticContact CE2-CG 3.6Å; F690-H699 HydrophobicContact CZ-CB 3.33Å; F690-H699 AromaticContact CZ-CD2 3.42Å; F690-H699 VanDerWaalsContact CZ-CD2 3.42Å; F690-H699 WeakPolarHBondContact CZ-CD2 3.06Å; F690-H699 AromaticContact CZ-CG 3.14Å; F690-H699 AromaticContact CZ-ND1 3.71Å; D695-H699 VanDerWaalsContact O-CB 3.3Å; D695-H699 WeakPolarHBondContact O-CB 3.29Å; D695-H699 PolarHBondContact O-N 3.25Å; C696-H699 CarbonylContact O-C 3.36Å; C696-H699 WeakPolarHBondContact O-CA 3.45Å; C696-H699 WeakPolarHBondContact O-CB 3.41Å; C696-H699 PolarHBondContact O-N 3.36Å; Q697-H699 VanDerWaalsContact C-N 3.28Å; Q697-H699 PolarHBondContact O-N 3.42Å; H699-Q701 PolarHBondContact O-N 3.26Å; H699-I702 VanDerWaalsContact O-CB 3.27Å; H699-I702 WeakPolarHBondContact O-CB 3.37Å; H699-I702 WeakPolarHBondContact O-CG1 3.44Å; H699-I702 PolarHBondContact O-N 2.98Å; H699-H703 AromaticContact NE2-NE2 3.45Å; H699-H703 PolarHBondContact NE2-NE2 2.78Å
700E85.1Confident84.7Confident63 Ų6371.7 Ų71.729%0.29437%0.366SS..Hα-helixtrans-59-27.5175.6-73.1169.5171.200112.5C696 Q697 I702 H703 T704C696-E700 WeakPolarHBondContact O-CG 3.37Å; C696-E700 PolarHBondContact O-N 3.09Å; Q697-E700 PolarHBondContact O-N 2.99Å; E700-I702 PolarHBondContact O-N 3.16Å; E700-H703 WeakPolarHBondContact O-CB 3.32Å; E700-H703 PolarHBondContact O-N 3.49Å; E700-T704 PolarHBondContact O-N 3.11Å; E700-T704 VanDerWaalsContact O-N 3.15Å
701Q82.6Confident84.7Confident51 Ų5169.7 Ų69.724%0.23836%0.358CS..Hα-helixtrans-61.9-21.3172.3-64.6-167.7-36.100114.2Q697 H699 H703 T704 G705 T719Q697-Q701 PolarHBondContact O-N 3.17Å; H699-Q701 PolarHBondContact O-N 3.26Å; Q701-H703 VanDerWaalsContact C-N 3.31Å; Q701-T704 WeakPolarHBondContact CA-OG1 3.47Å; Q701-T704 PolarHBondContact O-OG1 3Å; Q701-G705 PolarHBondContact O-N 2.72Å; Q701-G705 VanDerWaalsContact O-N 3.11Å; Q701-T719 PolarHBondContact OE1-O 3.39Å
702I82.7Confident84.7Confident119 Ų11976 Ų7661%0.6139%0.387SS*.Hα-helixtrans-70.2-35.4174.6-57.8176.8000110H699 E700H699-I702 VanDerWaalsContact O-CB 3.27Å; H699-I702 WeakPolarHBondContact O-CB 3.37Å; H699-I702 WeakPolarHBondContact O-CG1 3.44Å; H699-I702 PolarHBondContact O-N 2.98Å; E700-I702 PolarHBondContact O-N 3.16Å
703H83.5Confident84.6Confident80 Ų8081.6 Ų81.637%0.3741%0.412SS..Hα-helixtrans-78.1-36.1178.7-65.1-61.5000112.7Q685 C686 H699 E700 Q701 G705Q685-H703 PolarHBondContact OE1-CD2 3.29Å; Q685-H703 VanDerWaalsContact OE1-CD2 3.3Å; C686-H703 PolarHBondContact SG-NE2 3.15Å; C686-H703 VanDerWaalsContact SG-NE2 3.4Å; H699-H703 AromaticContact NE2-NE2 3.45Å; H699-H703 PolarHBondContact NE2-NE2 2.78Å; E700-H703 WeakPolarHBondContact O-CB 3.32Å; E700-H703 PolarHBondContact O-N 3.49Å; Q701-H703 VanDerWaalsContact C-N 3.31Å; H703-G705 PolarHBondContact O-N 2.69Å
704T83.5Confident84.7Confident73 Ų7380 Ų8045%0.44841%0.407SS..Hα-helixtrans-74.1-19.3175.1650000112.3E700 Q701 E706E700-T704 PolarHBondContact O-N 3.11Å; E700-T704 VanDerWaalsContact O-N 3.15Å; Q701-T704 WeakPolarHBondContact CA-OG1 3.47Å; Q701-T704 PolarHBondContact O-OG1 3Å; T704-E706 PolarHBondContact O-N 2.93Å; T704-E706 WeakPolarHBondContact OG1-CB 3.44Å; T704-E706 WeakPolarHBondContact OG1-CG 3.31Å; T704-E706 PolarHBondContact OG1-N 2.83Å
705G79.1Confident84.8Confident49 Ų4979 Ų7951%0.50541%0.408SS..  trans685.8-173.700000113.6Q701 H703 K707Q701-G705 PolarHBondContact O-N 2.72Å; Q701-G705 VanDerWaalsContact O-N 3.11Å; H703-G705 PolarHBondContact O-N 2.69Å; G705-K707 PolarHBondContact O-N 3.3Å
706E80.3Confident84.9Confident115 Ų11583.1 Ų83.154%0.53742%0.424SS..  trans-66.5121-175.8-74.4179.3178.200111.3T704 P708T704-E706 PolarHBondContact O-N 2.93Å; T704-E706 WeakPolarHBondContact OG1-CB 3.44Å; T704-E706 WeakPolarHBondContact OG1-CG 3.31Å; T704-E706 PolarHBondContact OG1-N 2.83Å; E706-P708 WeakPolarHBondContact O-CD 3.04Å
707K84Confident84.9Confident118 Ų11884.6 Ų84.651%0.51344%0.437SS..  trans-116.672.3177-69.2174.5-179.6-179.40110.3G705 F709 A717 F718 T719G705-K707 PolarHBondContact O-N 3.3Å; K707-F709 PolarHBondContact O-N 2.91Å; K707-F709 VanDerWaalsContact O-N 3.12Å; K707-A717 HydrophobicContact CB-CB 3.55Å; K707-A717 HydrophobicContact CD-CB 4.19Å; K707-A717 WeakPolarHBondContact CD-O 3.49Å; K707-F718 CarbonylContact C-O 3.54Å; K707-F718 VanDerWaalsContact C-O 3.3Å; K707-F718 WeakPolarHBondContact CA-O 3.21Å; K707-T719 HydrophobicContact CG-CG2 3.72Å
708P81.9Confident85Confident76 Ų7681.7 Ų81.749%0.49442%0.423SS..  trans-67.9-14.3-171.324.1-32.3000114.3E706 I710E706-P708 WeakPolarHBondContact O-CD 3.04Å; P708-I710 PolarHBondContact O-N 3.46Å
709F86.6Confident84.9Confident74 Ų7478.5 Ų78.533%0.32542%0.416SS..EExtended strand (participates in β ladder)trans-97.792-176.6-57.3-76.3000110.9K707 A717 F718 T719 L724K707-F709 PolarHBondContact O-N 2.91Å; K707-F709 VanDerWaalsContact O-N 3.12Å; F709-A717 CarbonylContact O-C 3.3Å; F709-A717 WeakPolarHBondContact O-CA 3.46Å; F709-F718 HydrophobicContact CB-CB 4.32Å; F709-F718 WeakPolarHBondContact CB-O 3.49Å; F709-F718 WeakPolarHBondContact CD2-O 3.27Å; F709-F718 PolarHBondContact N-O 3.28Å; F709-F718 VanDerWaalsContact N-O 3.1Å; F709-F718 PolarHBondContact O-N 3.49Å; F709-T719 WeakPolarHBondContact CE2-O 3.4Å; F709-L724 HydrophobicContact CB-CB 4.01Å; F709-L724 HydrophobicContact CB-CD2 3.89Å
710I87Confident84.8Confident106 Ų10682.8 Ų82.854%0.54443%0.432SS..EExtended strand (participates in β ladder)trans-90.4128.1-179.4-57173000109.9P708 K712 A717P708-I710 PolarHBondContact O-N 3.46Å; I710-K712 PolarHBondContact O-N 3.13Å; I710-A717 HydrophobicContact CG1-CB 4.1Å
711C89.5Confident84.9Confident1 Ų182 Ų821%0.00743%0.433CS..  trans-69.7117.4171.3-178.80000110.1Q713 C714 G715 K716 F718 L724 H727 H731C711-Q713 PolarHBondContact O-N 3.21Å; C711-C714 PolarHBondContact O-N 3.47Å; C711-C714 VanDerWaalsContact SG-SG 3.66Å; C711-G715 VanDerWaalsContact O-CA 3.27Å; C711-G715 WeakPolarHBondContact O-CA 3.39Å; C711-G715 PolarHBondContact O-N 3.36Å; C711-K716 WeakPolarHBondContact CB-O 3.4Å; C711-K716 PolarHBondContact N-O 2.93Å; C711-F718 HydrophobicContact CB-CE2 4.31Å; C711-L724 VanDerWaalsContact CA-CD1 3.43Å; C711-L724 HydrophobicContact CB-CD1 3.5Å; C711-L724 VanDerWaalsContact CB-CD1 3.5Å; C711-H727 PolarHBondContact SG-NE2 3.41Å; C711-H731 PolarHBondContact SG-NE2 3.2Å
712K85.1Confident85.1Confident205 Ų20581.7 Ų81.789%0.89144%0.437SS*.THydrogen-bonded Turntrans-62.2-27.3179.1-64.9-173.8177.2-174.40113.6I710I710-K712 PolarHBondContact O-N 3.13Å
713Q83.3Confident85.3Confident134 Ų13477.9 Ų77.963%0.62642%0.42SS*.THydrogen-bonded Turntrans-85.1-27-175.9-73.8175.6-29.800114.1C711 H731C711-Q713 PolarHBondContact O-N 3.21Å; Q713-H731 PolarHBondContact OE1-CD2 3.15Å
714C89.5Confident85.6Confident55 Ų5574.9 Ų74.937%0.37241%0.407SS..THydrogen-bonded Turntrans-137.75.4-177.673.40000115C711 K716 H727C711-C714 PolarHBondContact O-N 3.47Å; C711-C714 VanDerWaalsContact SG-SG 3.66Å; C714-K716 PolarHBondContact O-N 3.38Å; C714-K716 VanDerWaalsContact SG-CG 3.57Å; C714-H727 PolarHBondContact SG-NE2 2.96Å
715G87.1Confident85.7Confident50 Ų5077.4 Ų77.452%0.51541%0.412SS..  trans70.7-5.7179.900000115.6C711 A717C711-G715 VanDerWaalsContact O-CA 3.27Å; C711-G715 WeakPolarHBondContact O-CA 3.39Å; C711-G715 PolarHBondContact O-N 3.36Å; G715-A717 PolarHBondContact O-N 3.5Å
716K88.9Confident86.1Confident127 Ų12780.4 Ų80.455%0.55242%0.415SS*.  trans-60.9122.4179.4-72.1-177.6-177.5-177.90110.8C711 C714 F718C711-K716 WeakPolarHBondContact CB-O 3.4Å; C711-K716 PolarHBondContact N-O 2.93Å; C714-K716 PolarHBondContact O-N 3.38Å; C714-K716 VanDerWaalsContact SG-CG 3.57Å; K716-F718 HydrophobicContact CB-CE2 3.68Å; K716-F718 HydrophobicContact CB-CZ 3.88Å; K716-F718 VanDerWaalsContact O-CD2 3.31Å; K716-F718 WeakPolarHBondContact O-CD2 3.28Å; K716-F718 VanDerWaalsContact O-CE2 3.22Å; K716-F718 WeakPolarHBondContact O-CE2 3.15Å
717A87Confident86.5Confident37 Ų3776.1 Ų76.131%0.30640%0.395SS..EExtended strand (participates in β ladder)trans-91.7138.3178.300000110.8K707 F709 I710 G715K707-A717 HydrophobicContact CB-CB 3.55Å; K707-A717 HydrophobicContact CD-CB 4.19Å; K707-A717 WeakPolarHBondContact CD-O 3.49Å; F709-A717 CarbonylContact O-C 3.3Å; F709-A717 WeakPolarHBondContact O-CA 3.46Å; I710-A717 HydrophobicContact CG1-CB 4.1Å; G715-A717 PolarHBondContact O-N 3.5Å
718F86.3Confident86.6Confident44 Ų4473.8 Ų73.819%0.19339%0.386CS..EExtended strand (participates in β ladder)trans-125.7145.8179.8-60.6-90000110.3K707 F709 C711 K716 R720 L724 H727K707-F718 CarbonylContact C-O 3.54Å; K707-F718 VanDerWaalsContact C-O 3.3Å; K707-F718 WeakPolarHBondContact CA-O 3.21Å; F709-F718 HydrophobicContact CB-CB 4.32Å; F709-F718 WeakPolarHBondContact CB-O 3.49Å; F709-F718 WeakPolarHBondContact CD2-O 3.27Å; F709-F718 PolarHBondContact N-O 3.28Å; F709-F718 VanDerWaalsContact N-O 3.1Å; F709-F718 PolarHBondContact O-N 3.49Å; C711-F718 HydrophobicContact CB-CE2 4.31Å; K716-F718 HydrophobicContact CB-CE2 3.68Å; K716-F718 HydrophobicContact CB-CZ 3.88Å; K716-F718 VanDerWaalsContact O-CD2 3.31Å; K716-F718 WeakPolarHBondContact O-CD2 3.28Å; K716-F718 VanDerWaalsContact O-CE2 3.22Å; K716-F718 WeakPolarHBondContact O-CE2 3.15Å; F718-R720 PolarHBondContact O-N 3.34Å; F718-L724 HydrophobicContact CB-CB 4.33Å; F718-L724 HydrophobicContact CD2-CB 3.94Å; F718-L724 HydrophobicContact CD2-CD1 3.78Å; F718-L724 HydrophobicContact CD2-CG 4.48Å; F718-L724 HydrophobicContact CE2-CD1 3.95Å; F718-L724 HydrophobicContact CG-CB 4.3Å; F718-H727 HydrophobicContact CE1-CB 4Å; F718-H727 HydrophobicContact CE2-CB 3.9Å; F718-H727 AromaticContact CE2-CD2 3.36Å; F718-H727 WeakPolarHBondContact CE2-CD2 3.23Å; F718-H727 AromaticContact CE2-CG 3.64Å; F718-H727 HydrophobicContact CZ-CB 3.44Å; F718-H727 VanDerWaalsContact CZ-CB 3.44Å; F718-H727 AromaticContact CZ-CD2 3.46Å; F718-H727 VanDerWaalsContact CZ-CD2 3.46Å; F718-H727 WeakPolarHBondContact CZ-CD2 3.47Å; F718-H727 AromaticContact CZ-CG 3.24Å; F718-H727 AromaticContact CZ-ND1 3.84Å
719T84.5Confident86.8Confident49 Ų4976.8 Ų76.830%0.30139%0.391SS..SBendtrans-70.6-19.6171.654.70000112.1Q701 K707 F709Q701-T719 PolarHBondContact OE1-O 3.39Å; K707-T719 HydrophobicContact CG-CG2 3.72Å; F709-T719 WeakPolarHBondContact CE2-O 3.4Å
720R84.4Confident86.7Confident112 Ų11276.7 Ų76.742%0.42340%0.397SS..  trans-129132.7-174.3-63.1171.660.4178.3-3.6112F718 S722 S723 L724F718-R720 PolarHBondContact O-N 3.34Å; R720-S722 PolarHBondContact NE-OG 2.97Å; R720-S722 VanDerWaalsContact NE-OG 3.14Å; R720-S722 PolarHBondContact NH2-OG 2.93Å; R720-S722 VanDerWaalsContact NH2-OG 3.09Å; R720-S722 PolarHBondContact O-N 3.02Å; R720-S723 WeakPolarHBondContact O-CB 3.24Å; R720-S723 PolarHBondContact O-N 2.94Å; R720-L724 PolarHBondContact O-N 3.47Å
721S86.8Confident86.5Confident46 Ų4673.6 Ų73.632%0.32238%0.38SS..Hα-helixtrans-56-35.9168.4177.30000112.3S723 L724 K725S721-S723 VanDerWaalsContact C-N 3.34Å; S721-S723 PolarHBondContact O-N 3.49Å; S721-L724 PolarHBondContact O-N 2.87Å; S721-K725 WeakPolarHBondContact O-CG 3.44Å; S721-K725 PolarHBondContact O-N 2.95Å
722S85.7Confident85.7Confident46 Ų4677.2 Ų77.232%0.32241%0.405SS..Hα-helixtrans-64.8-37.8175.960.50000112.6R720 K725 I726R720-S722 PolarHBondContact NE-OG 2.97Å; R720-S722 VanDerWaalsContact NE-OG 3.14Å; R720-S722 PolarHBondContact NH2-OG 2.93Å; R720-S722 VanDerWaalsContact NH2-OG 3.09Å; R720-S722 PolarHBondContact O-N 3.02Å; S722-K725 PolarHBondContact O-N 3.43Å; S722-I726 VanDerWaalsContact O-CG1 3.28Å; S722-I726 WeakPolarHBondContact O-CG1 2.75Å; S722-I726 PolarHBondContact O-N 3.31Å
723S88.4Confident84.8Confident38 Ų3877.3 Ų77.327%0.26640%0.4SS..Hα-helixtrans-71-39.8177.2-59.80000110.6R720 S721 I726 H727R720-S723 WeakPolarHBondContact O-CB 3.24Å; R720-S723 PolarHBondContact O-N 2.94Å; S721-S723 VanDerWaalsContact C-N 3.34Å; S721-S723 PolarHBondContact O-N 3.49Å; S723-I726 PolarHBondContact O-N 3.36Å; S723-H727 VanDerWaalsContact O-CB 3.28Å; S723-H727 WeakPolarHBondContact O-CB 3.47Å; S723-H727 PolarHBondContact O-N 3.42Å
724L88Confident83.6Confident17 Ų1781.4 Ų81.49%0.08941%0.41CS..Hα-helixtrans-58.5-49170.117563.4000111F709 C711 F718 R720 S721 I726 H727 E728F709-L724 HydrophobicContact CB-CB 4.01Å; F709-L724 HydrophobicContact CB-CD2 3.89Å; C711-L724 VanDerWaalsContact CA-CD1 3.43Å; C711-L724 HydrophobicContact CB-CD1 3.5Å; C711-L724 VanDerWaalsContact CB-CD1 3.5Å; F718-L724 HydrophobicContact CB-CB 4.33Å; F718-L724 HydrophobicContact CD2-CB 3.94Å; F718-L724 HydrophobicContact CD2-CD1 3.78Å; F718-L724 HydrophobicContact CD2-CG 4.48Å; F718-L724 HydrophobicContact CE2-CD1 3.95Å; F718-L724 HydrophobicContact CG-CB 4.3Å; R720-L724 PolarHBondContact O-N 3.47Å; S721-L724 PolarHBondContact O-N 2.87Å; L724-I726 PolarHBondContact O-N 3.48Å; L724-H727 CarbonylContact O-C 3.56Å; L724-H727 WeakPolarHBondContact O-CA 3.48Å; L724-H727 WeakPolarHBondContact O-CB 3.46Å; L724-H727 PolarHBondContact O-N 2.95Å; L724-E728 HydrophobicContact CD1-CG 3.89Å; L724-E728 HydrophobicContact CG-CG 4.13Å; L724-E728 WeakPolarHBondContact O-CG 3.31Å; L724-E728 PolarHBondContact O-N 3.18Å
725K87.1Confident81.8Confident127 Ų12786 Ų8655%0.55243%0.43SS*.Hα-helixtrans-60.6-40.4178.8-76.5-179.3-179.1-175.30113.3S721 S722 H727 E728 K729S721-K725 WeakPolarHBondContact O-CG 3.44Å; S721-K725 PolarHBondContact O-N 2.95Å; S722-K725 PolarHBondContact O-N 3.43Å; K725-H727 VanDerWaalsContact C-N 3.3Å; K725-E728 PolarHBondContact O-N 3Å; K725-K729 WeakPolarHBondContact O-CG 3.37Å; K725-K729 PolarHBondContact O-N 3.15Å; K725-K729 VanDerWaalsContact O-N 3.14Å
726I87.2Confident79.7Confident112 Ų11290.8 Ų90.857%0.57446%0.456SS*.Hα-helixtrans-64.4-41.4174.7-69164.7000109.8S722 S723 L724 K729S722-I726 VanDerWaalsContact O-CG1 3.28Å; S722-I726 WeakPolarHBondContact O-CG1 2.75Å; S722-I726 PolarHBondContact O-N 3.31Å; S723-I726 PolarHBondContact O-N 3.36Å; L724-I726 PolarHBondContact O-N 3.48Å; I726-K729 WeakPolarHBondContact O-CB 3.11Å; I726-K729 PolarHBondContact O-N 3.44Å
727H87.5Confident79.3Confident24 Ų2489 Ų8911%0.11145%0.452CS..Hα-helixtrans-66.3-42.2175.6171.365.9000112.7C711 C714 F718 S723 L724 K725 K729 T730 H731C711-H727 PolarHBondContact SG-NE2 3.41Å; C714-H727 PolarHBondContact SG-NE2 2.96Å; F718-H727 HydrophobicContact CE1-CB 4Å; F718-H727 HydrophobicContact CE2-CB 3.9Å; F718-H727 AromaticContact CE2-CD2 3.36Å; F718-H727 WeakPolarHBondContact CE2-CD2 3.23Å; F718-H727 AromaticContact CE2-CG 3.64Å; F718-H727 HydrophobicContact CZ-CB 3.44Å; F718-H727 VanDerWaalsContact CZ-CB 3.44Å; F718-H727 AromaticContact CZ-CD2 3.46Å; F718-H727 VanDerWaalsContact CZ-CD2 3.46Å; F718-H727 WeakPolarHBondContact CZ-CD2 3.47Å; F718-H727 AromaticContact CZ-CG 3.24Å; F718-H727 AromaticContact CZ-ND1 3.84Å; S723-H727 VanDerWaalsContact O-CB 3.28Å; S723-H727 WeakPolarHBondContact O-CB 3.47Å; S723-H727 PolarHBondContact O-N 3.42Å; L724-H727 CarbonylContact O-C 3.56Å; L724-H727 WeakPolarHBondContact O-CA 3.48Å; L724-H727 WeakPolarHBondContact O-CB 3.46Å; L724-H727 PolarHBondContact O-N 2.95Å; K725-H727 VanDerWaalsContact C-N 3.3Å; H727-K729 PolarHBondContact O-N 2.85Å; H727-T730 WeakPolarHBondContact O-CA 3.41Å; H727-T730 WeakPolarHBondContact O-CB 3.26Å; H727-T730 PolarHBondContact O-N 3.31Å; H727-T730 PolarHBondContact O-OG1 3.39Å; H727-H731 AromaticContact CD2-NE2 3.82Å; H727-H731 AromaticContact CE1-CE1 3.84Å; H727-H731 AromaticContact CE1-NE2 3.44Å; H727-H731 PolarHBondContact CE1-NE2 2.8Å; H727-H731 AromaticContact NE2-CD2 3.93Å; H727-H731 AromaticContact NE2-CE1 3.78Å; H727-H731 AromaticContact NE2-NE2 3Å; H727-H731 PolarHBondContact NE2-NE2 3.04Å
728E87.2Confident78.9Confident69 Ų6991.7 Ų91.732%0.32246%0.459SS..Hα-helixtrans-60-35.7176-74.4173.7154.800111.7L724 K725 T730 H731 S732L724-E728 HydrophobicContact CD1-CG 3.89Å; L724-E728 HydrophobicContact CG-CG 4.13Å; L724-E728 WeakPolarHBondContact O-CG 3.31Å; L724-E728 PolarHBondContact O-N 3.18Å; K725-E728 PolarHBondContact O-N 3Å; E728-T730 PolarHBondContact O-N 3.34Å; E728-H731 WeakPolarHBondContact O-CB 3.5Å; E728-H731 PolarHBondContact O-N 3Å; E728-S732 PolarHBondContact O-N 3.33Å; E728-S732 PolarHBondContact O-OG 3.37Å
729K85.7Confident78.5Confident140 Ų14094.4 Ų94.461%0.60947%0.474SS*.Hα-helixtrans-60.6-25.1171.8-71.7176.3179-168.30113.4K725 I726 H727 H731 S732 R733K725-K729 WeakPolarHBondContact O-CG 3.37Å; K725-K729 PolarHBondContact O-N 3.15Å; K725-K729 VanDerWaalsContact O-N 3.14Å; I726-K729 WeakPolarHBondContact O-CB 3.11Å; I726-K729 PolarHBondContact O-N 3.44Å; H727-K729 PolarHBondContact O-N 2.85Å; K729-H731 VanDerWaalsContact C-N 3.34Å; K729-S732 PolarHBondContact O-N 3.22Å; K729-R733 WeakPolarHBondContact O-CG 3.46Å; K729-R733 PolarHBondContact O-N 2.96Å; K729-R733 VanDerWaalsContact O-N 3.16Å
730T84.7Confident78.1Confident72 Ų7297.1 Ų97.144%0.44248%0.484SS..Hα-helixtrans-72.7-28175.5700000112.4H727 E728H727-T730 WeakPolarHBondContact O-CA 3.41Å; H727-T730 WeakPolarHBondContact O-CB 3.26Å; H727-T730 PolarHBondContact O-N 3.31Å; H727-T730 PolarHBondContact O-OG1 3.39Å; E728-T730 PolarHBondContact O-N 3.34Å
731H82.8Confident77.7Confident41 Ų4196.1 Ų96.119%0.1949%0.488CS..Hα-helixtrans-74.1-39.3170.8-60.5-55.5000111.4C711 Q713 H727 E728 K729 R733 R734 N735C711-H731 PolarHBondContact SG-NE2 3.2Å; Q713-H731 PolarHBondContact OE1-CD2 3.15Å; H727-H731 AromaticContact CD2-NE2 3.82Å; H727-H731 AromaticContact CE1-CE1 3.84Å; H727-H731 AromaticContact CE1-NE2 3.44Å; H727-H731 PolarHBondContact CE1-NE2 2.8Å; H727-H731 AromaticContact NE2-CD2 3.93Å; H727-H731 AromaticContact NE2-CE1 3.78Å; H727-H731 AromaticContact NE2-NE2 3Å; H727-H731 PolarHBondContact NE2-NE2 3.04Å; E728-H731 WeakPolarHBondContact O-CB 3.5Å; E728-H731 PolarHBondContact O-N 3Å; K729-H731 VanDerWaalsContact C-N 3.34Å; H731-R733 VanDerWaalsContact C-N 3.28Å; H731-R733 PolarHBondContact O-N 3.27Å; H731-R734 PolarHBondContact O-N 3.42Å; H731-R734 VanDerWaalsContact O-N 3.07Å; H731-N735 PolarHBondContact O-N 2.85Å
732S73.1Confident77.1Confident76 Ų7699.5 Ų99.553%0.53150%0.499SS..Hα-helixtrans-60.5-38176.6-40.10000112.3E728 K729 R734 N735 S736E728-S732 PolarHBondContact O-N 3.33Å; E728-S732 PolarHBondContact O-OG 3.37Å; K729-S732 PolarHBondContact O-N 3.22Å; S732-R734 PolarHBondContact O-N 3.48Å; S732-N735 PolarHBondContact O-N 2.93Å; S732-S736 PolarHBondContact O-OG 3.3Å
733R65.5Low76.5Confident208 Ų208103.3 Ų103.379%0.78551%0.512SS*.THydrogen-bonded Turntrans-72.3-8.4176.7-74.7-177.2177.1-173.7-3114.6K729 H731K729-R733 WeakPolarHBondContact O-CG 3.46Å; K729-R733 PolarHBondContact O-N 2.96Å; K729-R733 VanDerWaalsContact O-N 3.16Å; H731-R733 VanDerWaalsContact C-N 3.28Å; H731-R733 PolarHBondContact O-N 3.27Å
734R58.4Low75.6Confident219 Ų219108.3 Ų108.383%0.82653%0.531SS*.THydrogen-bonded Turntrans-98.9-14.2177.1-112.7-178.7173.2-176.4-3.7113.4H731 S732H731-R734 PolarHBondContact O-N 3.42Å; H731-R734 VanDerWaalsContact O-N 3.07Å; S732-R734 PolarHBondContact O-N 3.48Å
735N51.8Low74.6Confident151 Ų151115.9 Ų115.981%0.80757%0.568SS**  trans-109.112.4177.2-80.18.4000113.1H731 S732H731-N735 PolarHBondContact O-N 2.85Å; S732-N735 PolarHBondContact O-N 2.93Å
736S43.9Very low73.4Confident152 Ų152114.9 Ų114.9100%1.06357%0.569SS**  trans-1140162.519.50000107S732S732-S736 PolarHBondContact O-OG 3.3Å

Retrieved 736 of 736 residues in 585.9 ms (Link to these results)

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