A0A077ZDY7_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZDY7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 506 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
1M41.8Very low43Very low229 Ų229158.6 Ų158.6100%1.12886%0.86SS**  0101.40-84.8179.8176.800106.7
2E31.8Very low45.1Very low192 Ų192148.3 Ų148.390%0.89782%0.818SS**  trans-103.6128.4173.8-69.9-179.5162.400107.4
3F38.4Very low47.4Very low182 Ų182141.2 Ų141.280%0.79879%0.785SS**  trans-123126.3168.1-80.9-81.2000108.1
4P40.7Very low48.5Very low125 Ų125139.1 Ų139.181%0.81278%0.778SS**  trans-85.2126.3171.132.9-27.1000108.5
5V46.5Very low50.3Low127 Ų127135.1 Ų135.177%0.7776%0.762SS**  trans-97.1110.5165.2178.70000107.6L7V5-L7 HydrophobicContact CG1-CG 4.24Å
6A37.7Very low51.7Low90 Ų90133.9 Ų133.974%0.74475%0.749SS**  trans-75121.7163.200000108.7
7L48.8Very low52.5Low157 Ų157135.4 Ų135.482%0.82274%0.74SS**  trans-104.4113.7166-78.7170.1000109V5V5-L7 HydrophobicContact CG1-CG 4.24Å
8N49.9Very low53.4Low160 Ų160133.7 Ų133.786%0.85673%0.726SS**  trans-56.9140.5174.7-81-31.9000112K10N8-K10 PolarHBondContact O-N 2.77Å
9G39.3Very low54.6Low78 Ų78134 Ų13480%0.80472%0.722SS**  trans-52.6121-176.300000115
10K53.1Low55.9Low200 Ų200134.8 Ų134.887%0.8771%0.714SS**  trans-141125.8136.5-79.5-170.7175.7178.50106.7N8 G12N8-K10 PolarHBondContact O-N 2.77Å; K10-G12 PolarHBondContact O-N 3.48Å
11E44.6Very low56.7Low205 Ų205131.2 Ų131.296%0.95870%0.7SS**  trans-65.296172.7-72.9179.815700108.6
12G68.3Low58.4Low35 Ų35128.7 Ų128.736%0.36168%0.678SS.*  trans-82.6140.4165.600000109.8K10 E16K10-G12 PolarHBondContact O-N 3.48Å; G12-E16 WeakPolarHBondContact CA-OE2 3.41Å
13S75.4Confident60.7Low55 Ų55121.8 Ų121.839%0.38565%0.65SS.*  trans-62.6154.8175.461.80000111.3S15 E16 W17S13-S15 WeakPolarHBondContact CB-OG 3.46Å; S13-S15 PolarHBondContact O-N 3.21Å; S13-S15 VanDerWaalsContact O-N 3.08Å; S13-S15 PolarHBondContact OG-OG 3.33Å; S13-E16 PolarHBondContact N-OE2 3.04Å; S13-E16 PolarHBondContact O-N 3.05Å; S13-E16 PolarHBondContact OG-N 3.45Å; S13-E16 PolarHBondContact OG-OE2 3.06Å; S13-W17 PolarHBondContact O-N 3.4Å
14V62.8Low62.8Low113 Ų113116.2 Ų116.269%0.68563%0.627SS**Hα-helixtrans-52.8-32.9174.81760000111.5W17 E18V14-W17 PolarHBondContact O-N 2.95Å; V14-E18 PolarHBondContact O-N 3.48Å
15S74.8Confident64.3Low78 Ų78113.2 Ų113.255%0.54561%0.613SS.*Hα-helixtrans-64.3-36174.3340000114.5S13 H19S13-S15 WeakPolarHBondContact CB-OG 3.46Å; S13-S15 PolarHBondContact O-N 3.21Å; S13-S15 VanDerWaalsContact O-N 3.08Å; S13-S15 PolarHBondContact OG-OG 3.33Å; S15-H19 WeakPolarHBondContact O-CB 3.22Å; S15-H19 PolarHBondContact O-N 3.5Å
16E72.8Confident65.7Low117 Ų117115.7 Ų115.755%0.54761%0.608SS.*Hα-helixtrans-72.3-38.3177.5-75.3170.4140.300111.2G12 S13 H19 W20G12-E16 WeakPolarHBondContact CA-OE2 3.41Å; S13-E16 PolarHBondContact N-OE2 3.04Å; S13-E16 PolarHBondContact O-N 3.05Å; S13-E16 PolarHBondContact OG-N 3.45Å; S13-E16 PolarHBondContact OG-OE2 3.06Å; E16-H19 PolarHBondContact O-N 2.97Å; E16-W20 WeakPolarHBondContact O-CB 3.5Å; E16-W20 PolarHBondContact O-N 3.22Å
17W66.6Low67.7Low158 Ų158115.6 Ų115.660%0.59860%0.595SS**Hα-helixtrans-62.7-46.5172.7-100.589.6000112S13 V14 H19 W20 C21S13-W17 PolarHBondContact O-N 3.4Å; V14-W17 PolarHBondContact O-N 2.95Å; W17-H19 VanDerWaalsContact C-N 3.34Å; W17-H19 PolarHBondContact O-N 3.32Å; W17-W20 PolarHBondContact O-N 3.43Å; W17-C21 PolarHBondContact O-N 3.14Å; W17-C21 PolarHBondContact O-SG 3.44Å
18E68.9Low69.1Low106 Ų106115.7 Ų115.750%0.49558%0.584SS.*Hα-helixtrans-62.3-40.8175.7-76.7-168.9179.600112.3V14 R22V14-E18 PolarHBondContact O-N 3.48Å; E18-R22 WeakPolarHBondContact O-CB 3.46Å; E18-R22 VanDerWaalsContact O-CG 3.23Å; E18-R22 WeakPolarHBondContact O-CG 3.31Å; E18-R22 PolarHBondContact O-N 3.32Å; E18-R22 IonicContact OE2-NH2 2.6Å
19H75.5Confident69.9Low139 Ų139112.9 Ų112.964%0.64457%0.569SS**Hα-helixtrans-64.6-42.8177.1-173.4-83.4000111.6S15 E16 W17 R22 S23S15-H19 WeakPolarHBondContact O-CB 3.22Å; S15-H19 PolarHBondContact O-N 3.5Å; E16-H19 PolarHBondContact O-N 2.97Å; W17-H19 VanDerWaalsContact C-N 3.34Å; W17-H19 PolarHBondContact O-N 3.32Å; H19-R22 PolarHBondContact O-N 2.93Å; H19-S23 PolarHBondContact O-N 3.07Å
20W81.3Confident71.5Confident149 Ų149117.4 Ų117.456%0.56456%0.562SS**Hα-helixtrans-64.4-47.6177.8-173.281.9000112E16 W17 R22 S23 E24E16-W20 WeakPolarHBondContact O-CB 3.5Å; E16-W20 PolarHBondContact O-N 3.22Å; W17-W20 PolarHBondContact O-N 3.43Å; W20-R22 VanDerWaalsContact C-N 3.31Å; W20-R22 PolarHBondContact O-N 3.47Å; W20-S23 PolarHBondContact O-N 3.18Å; W20-S23 VanDerWaalsContact O-N 3.11Å; W20-E24 WeakPolarHBondContact CH2-OE2 3.42Å; W20-E24 WeakPolarHBondContact CZ2-OE2 3.38Å; W20-E24 WeakPolarHBondContact CZ3-OE2 3.37Å; W20-E24 PolarHBondContact O-N 3.23Å
21C72.5Confident72.5Confident61 Ų61111.3 Ų111.341%0.41254%0.544SS..Hα-helixtrans-60.9-38.2176.1-70.40000112.5W17 A25W17-C21 PolarHBondContact O-N 3.14Å; W17-C21 PolarHBondContact O-SG 3.44Å; C21-A25 VanDerWaalsContact O-CB 3.31Å; C21-A25 WeakPolarHBondContact O-CB 3.35Å; C21-A25 PolarHBondContact O-N 3.43Å
22R77.8Confident73.9Confident176 Ų176107.9 Ų107.966%0.66453%0.528SS*.Hα-helixtrans-66.8-38174.7-74176.6-166.4-128.48.5112.1E18 H19 W20 R26E18-R22 WeakPolarHBondContact O-CB 3.46Å; E18-R22 VanDerWaalsContact O-CG 3.23Å; E18-R22 WeakPolarHBondContact O-CG 3.31Å; E18-R22 PolarHBondContact O-N 3.32Å; E18-R22 IonicContact OE2-NH2 2.6Å; H19-R22 PolarHBondContact O-N 2.93Å; W20-R22 VanDerWaalsContact C-N 3.31Å; W20-R22 PolarHBondContact O-N 3.47Å; R22-R26 VanDerWaalsContact O-CB 3.3Å; R22-R26 WeakPolarHBondContact O-CB 3.26Å; R22-R26 PolarHBondContact O-N 3.23Å; R22-R26 VanDerWaalsContact O-N 3.09Å
23S78.4Confident73.9Confident46 Ų46110.6 Ų110.632%0.32253%0.533SS..Hα-helixtrans-67.1-47.4177.1-163.50000111.4H19 W20 A25 R26 D27H19-S23 PolarHBondContact O-N 3.07Å; W20-S23 PolarHBondContact O-N 3.18Å; W20-S23 VanDerWaalsContact O-N 3.11Å; S23-A25 PolarHBondContact O-N 3.2Å; S23-R26 WeakPolarHBondContact O-CB 3.38Å; S23-R26 PolarHBondContact O-N 3.27Å; S23-D27 PolarHBondContact O-N 3.26Å
24E82.3Confident73.8Confident66 Ų66112.6 Ų112.631%0.30854%0.544SS..Hα-helixtrans-66.8-39.5-178.7-164.5-176.4166.500112W20 R26 D27 R28W20-E24 WeakPolarHBondContact CH2-OE2 3.42Å; W20-E24 WeakPolarHBondContact CZ2-OE2 3.38Å; W20-E24 WeakPolarHBondContact CZ3-OE2 3.37Å; W20-E24 PolarHBondContact O-N 3.23Å; E24-R26 VanDerWaalsContact C-N 3.32Å; E24-R26 PolarHBondContact O-N 3.36Å; E24-D27 PolarHBondContact O-N 3.24Å; E24-R28 WeakPolarHBondContact O-CG 3.36Å; E24-R28 PolarHBondContact O-N 3.05Å; E24-R28 IonicContact OE1-CZ 3.97Å; E24-R28 IonicContact OE1-NE 2.73Å; E24-R28 PolarHBondContact OE1-NE 3.47Å; E24-R28 IonicContact OE1-NH2 3.03Å; E24-R28 PolarHBondContact OE1-NH2 3.49Å
25A73.5Confident74.3Confident62 Ų62111.8 Ų111.851%0.51254%0.543SS..Hα-helixtrans-62.8-38.9173.600000112.1C21 S23 L29C21-A25 VanDerWaalsContact O-CB 3.31Å; C21-A25 WeakPolarHBondContact O-CB 3.35Å; C21-A25 PolarHBondContact O-N 3.43Å; S23-A25 PolarHBondContact O-N 3.2Å; A25-L29 WeakPolarHBondContact O-CB 3.33Å; A25-L29 PolarHBondContact O-N 2.9Å
26R76.5Confident73.8Confident179 Ų179111.1 Ų111.168%0.67555%0.549SS*.Hα-helixtrans-64.5-43.1175.3-177.2-174.3-74168.4-4.4111.4R22 S23 E24 L29 R30R22-R26 VanDerWaalsContact O-CB 3.3Å; R22-R26 WeakPolarHBondContact O-CB 3.26Å; R22-R26 PolarHBondContact O-N 3.23Å; R22-R26 VanDerWaalsContact O-N 3.09Å; S23-R26 WeakPolarHBondContact O-CB 3.38Å; S23-R26 PolarHBondContact O-N 3.27Å; E24-R26 VanDerWaalsContact C-N 3.32Å; E24-R26 PolarHBondContact O-N 3.36Å; R26-L29 PolarHBondContact O-N 3.39Å; R26-R30 WeakPolarHBondContact O-CB 3.48Å; R26-R30 PolarHBondContact O-N 3.48Å
27D79.7Confident73.1Confident88 Ų88110.9 Ų110.947%0.47155%0.55SS.*Hα-helixtrans-71.1-37.5-179.3-69.4-28.8000112.3S23 E24 R30 S31S23-D27 PolarHBondContact O-N 3.26Å; E24-D27 PolarHBondContact O-N 3.24Å; D27-R30 PolarHBondContact O-N 3.49Å; D27-S31 WeakPolarHBondContact O-CB 3.31Å; D27-S31 PolarHBondContact O-N 3.3Å
28R76.9Confident72.5Confident158 Ų158105.8 Ų105.860%0.59655%0.546SS*.Hα-helixtrans-63.2-46.4171.5-74.2-175.1-171.2-164.65.3112E24 R30 S31 E32E24-R28 WeakPolarHBondContact O-CG 3.36Å; E24-R28 PolarHBondContact O-N 3.05Å; E24-R28 IonicContact OE1-CZ 3.97Å; E24-R28 IonicContact OE1-NE 2.73Å; E24-R28 PolarHBondContact OE1-NE 3.47Å; E24-R28 IonicContact OE1-NH2 3.03Å; E24-R28 PolarHBondContact OE1-NH2 3.49Å; R28-R30 VanDerWaalsContact C-N 3.32Å; R28-R30 PolarHBondContact O-N 2.89Å; R28-S31 WeakPolarHBondContact O-CB 3.44Å; R28-S31 PolarHBondContact O-N 2.89Å; R28-E32 PolarHBondContact O-N 3.43Å
29L67.1Low72.1Confident101 Ų101107.1 Ų107.153%0.52956%0.564SS.*Hα-helixtrans-62.7-40.7177.2-170.773.5000111.3A25 R26 E32 I33A25-L29 WeakPolarHBondContact O-CB 3.33Å; A25-L29 PolarHBondContact O-N 2.9Å; R26-L29 PolarHBondContact O-N 3.39Å; L29-E32 PolarHBondContact O-N 3.17Å; L29-I33 HydrophobicContact CG-CD1 4.06Å; L29-I33 VanDerWaalsContact O-CG1 3.27Å; L29-I33 WeakPolarHBondContact O-CG1 3.38Å; L29-I33 PolarHBondContact O-N 2.98Å
30R73.7Confident70.7Confident173 Ų173111.6 Ų111.665%0.65358%0.576SS**Hα-helixtrans-61.2-45.9175.5-167.8177.6-171.2177.62111R26 D27 R28 I33 T34R26-R30 WeakPolarHBondContact O-CB 3.48Å; R26-R30 PolarHBondContact O-N 3.48Å; D27-R30 PolarHBondContact O-N 3.49Å; R28-R30 VanDerWaalsContact C-N 3.32Å; R28-R30 PolarHBondContact O-N 2.89Å; R30-I33 PolarHBondContact O-N 3.44Å; R30-T34 PolarHBondContact O-N 2.98Å; R30-T34 PolarHBondContact O-OG1 3.34Å
31S72.5Confident69.3Low72 Ų72110.4 Ų110.450%0.50359%0.587SS.*Hα-helixtrans-58.7-46.1176.1179.10000112.4D27 R28 T34 S35D27-S31 WeakPolarHBondContact O-CB 3.31Å; D27-S31 PolarHBondContact O-N 3.3Å; R28-S31 WeakPolarHBondContact O-CB 3.44Å; R28-S31 PolarHBondContact O-N 2.89Å; S31-T34 WeakPolarHBondContact CA-OG1 3.45Å; S31-T34 PolarHBondContact O-N 3.46Å; S31-T34 PolarHBondContact O-OG1 2.91Å; S31-T34 VanDerWaalsContact O-OG1 3.07Å; S31-S35 VanDerWaalsContact O-CB 3.31Å; S31-S35 WeakPolarHBondContact O-CB 3.28Å; S31-S35 PolarHBondContact O-N 3.46Å; S31-S35 PolarHBondContact O-OG 2.94Å
32E75.2Confident67.8Low134 Ų134110.9 Ų110.963%0.62660%0.602SS**Hα-helixtrans-63.5-41.1177.1-74.7-178.7179.100112.3R28 L29 S35 G36R28-E32 PolarHBondContact O-N 3.43Å; L29-E32 PolarHBondContact O-N 3.17Å; E32-S35 WeakPolarHBondContact CA-OG 3.28Å; E32-S35 PolarHBondContact O-OG 3.38Å; E32-G36 PolarHBondContact O-N 2.93Å; E32-G36 VanDerWaalsContact O-N 3.16Å
33I67.7Low66Low91 Ų91111 Ų11147%0.46761%0.61SS.*Hα-helixtrans-65.8-44.8175.8-68167.5000110.7L29 R30 I37L29-I33 HydrophobicContact CG-CD1 4.06Å; L29-I33 VanDerWaalsContact O-CG1 3.27Å; L29-I33 WeakPolarHBondContact O-CG1 3.38Å; L29-I33 PolarHBondContact O-N 2.98Å; R30-I33 PolarHBondContact O-N 3.44Å; I33-I37 HydrophobicContact CG2-CD1 3.96Å; I33-I37 WeakPolarHBondContact O-CG1 3.4Å
34T72.5Confident64.2Low98 Ų98117 Ų11760%0.60163%0.633SS**Hα-helixtrans-72.2-27.3-17944.90000113.5R30 S31R30-T34 PolarHBondContact O-N 2.98Å; R30-T34 PolarHBondContact O-OG1 3.34Å; S31-T34 WeakPolarHBondContact CA-OG1 3.45Å; S31-T34 PolarHBondContact O-N 3.46Å; S31-T34 PolarHBondContact O-OG1 2.91Å; S31-T34 VanDerWaalsContact O-OG1 3.07Å
35S73.6Confident62.2Low95 Ų95121.4 Ų121.466%0.66466%0.658SS**Hα-helixtrans-82.4-24.2178.253.90000113.2S31 E32S31-S35 VanDerWaalsContact O-CB 3.31Å; S31-S35 WeakPolarHBondContact O-CB 3.28Å; S31-S35 PolarHBondContact O-N 3.46Å; S31-S35 PolarHBondContact O-OG 2.94Å; E32-S35 WeakPolarHBondContact CA-OG 3.28Å; E32-S35 PolarHBondContact O-OG 3.38Å
36G65.1Low61.1Low65 Ų65127.6 Ų127.667%0.6768%0.676SS**Hα-helixtrans-85.5-10.4178.600000115.6E32E32-G36 PolarHBondContact O-N 2.93Å; E32-G36 VanDerWaalsContact O-N 3.16Å
37I57.1Low59.4Low112 Ų112122.6 Ų122.657%0.57468%0.681SS**SBendtrans-113.899.7-175.5-56.9172.1000108.6I33I33-I37 HydrophobicContact CG2-CD1 3.96Å; I33-I37 WeakPolarHBondContact O-CG1 3.4Å
38G55.2Low58.1Low50 Ų50129.2 Ų129.252%0.51570%0.699SS.*PPolyproline II helixtrans-60155.7171.200000112.1W40G38-W40 PolarHBondContact O-N 3.47Å
39P60.6Low56.8Low135 Ų135130.4 Ų130.488%0.87770%0.703SS**PPolyproline II helixtrans-63.7119.1-171.225.3-32.8000111.3
40W46.6Very low55.9Low233 Ų233129.5 Ų129.588%0.88370%0.702SS**PPolyproline II helixtrans-78.1132.2163.8-89.553.6000109.1G38G38-W40 PolarHBondContact O-N 3.47Å
41P51.9Low54.9Low123 Ų123126.5 Ų126.580%0.79970%0.703SS**PPolyproline II helixtrans-67.4142.9175.528.3-30.9000110.1
42G40.3Very low54.1Low71 Ų71129.8 Ų129.873%0.73271%0.71SS**  trans-75.8-171.9-162.100000117.4
43E39.6Very low53.4Low179 Ų179127.2 Ų127.284%0.83671%0.707SS**  trans94.4110.9165.3-64-171.7167.100118.9
44H40.2Very low53Low172 Ų172128.4 Ų128.480%0.79671%0.709SS**  trans61.682.5145.1-72.2-68.5000119.9
45L40.4Very low52.6Low159 Ų159126.1 Ų126.183%0.83270%0.7SS**  trans-141112.7148.8-80.4175.7000112.8G47L45-G47 PolarHBondContact O-N 3.42Å
46Q51.2Low52.4Low191 Ų191125.3 Ų125.389%0.89369%0.694SS**  trans-64120.5175.4-77.2168.6-29.200112.8R48Q46-R48 VanDerWaalsContact C-N 3.31Å; Q46-R48 PolarHBondContact O-N 3.05Å
47G41Very low52.4Low75 Ų75123.7 Ų123.777%0.77367%0.674SS**THydrogen-bonded Turntrans52.2-24.2131.100000124L45L45-G47 PolarHBondContact O-N 3.42Å
48R50.9Low52.7Low226 Ų226120.1 Ų120.185%0.85366%0.662SS**THydrogen-bonded Turntrans-121.1-16.2-172.6-95.6-173.8-178.2-175.41116.5Q46Q46-R48 VanDerWaalsContact C-N 3.31Å; Q46-R48 PolarHBondContact O-N 3.05Å
49R51Low53.5Low184 Ų184125.8 Ų125.869%0.69467%0.674SS**SBendtrans-97.6-3.9-179.8-68.4-168.9-165.5-175.94.9115.2S53R49-S53 PolarHBondContact O-N 3.47Å; R49-S53 PolarHBondContact O-OG 3.35Å
50V47.3Very low54.2Low81 Ų81122.8 Ų122.849%0.49166%0.657SS.*Hα-helixtrans-67.4-41.5-176-179.90000110.8E52 S53 F54V50-E52 PolarHBondContact O-N 3.46Å; V50-S53 PolarHBondContact O-N 3.34Å; V50-F54 HydrophobicContact CG1-CD2 3.54Å; V50-F54 HydrophobicContact CG1-CE2 3.57Å; V50-F54 WeakPolarHBondContact O-CB 3.47Å; V50-F54 WeakPolarHBondContact O-CD2 3.32Å; V50-F54 PolarHBondContact O-N 2.98Å
51T52.2Low55.3Low111 Ų111114 Ų11468%0.68164%0.638SS**Hα-helixtrans-66.6-35.6179.941.50000113.9A55T51-A55 WeakPolarHBondContact O-CB 3.27Å; T51-A55 PolarHBondContact O-N 2.96Å
52E57.4Low56.3Low141 Ų141113.7 Ų113.766%0.65963%0.634SS**Hα-helixtrans-73.9-41178.5-70.4177.1168.800111.9V50 F54 A55 S56V50-E52 PolarHBondContact O-N 3.46Å; E52-F54 VanDerWaalsContact C-N 3.35Å; E52-F54 PolarHBondContact O-N 3.47Å; E52-A55 PolarHBondContact O-N 3.29Å; E52-S56 WeakPolarHBondContact O-CB 3.17Å; E52-S56 PolarHBondContact O-N 2.96Å
53S59.4Low57.9Low80 Ų80111.7 Ų111.756%0.55961%0.606SS**Hα-helixtrans-65.7-36.7175.4-66.30000112.3R49 V50 A57R49-S53 PolarHBondContact O-N 3.47Å; R49-S53 PolarHBondContact O-OG 3.35Å; V50-S53 PolarHBondContact O-N 3.34Å; S53-A57 WeakPolarHBondContact O-CB 3.39Å; S53-A57 PolarHBondContact O-N 3.4Å
54F59.1Low59.9Low116 Ų116106.7 Ų106.751%0.50959%0.591SS.*Hα-helixtrans-71.2-38.9175.5-89.3-73.4000112.7V50 E52 S56 A57 A58 I71V50-F54 HydrophobicContact CG1-CD2 3.54Å; V50-F54 HydrophobicContact CG1-CE2 3.57Å; V50-F54 WeakPolarHBondContact O-CB 3.47Å; V50-F54 WeakPolarHBondContact O-CD2 3.32Å; V50-F54 PolarHBondContact O-N 2.98Å; E52-F54 VanDerWaalsContact C-N 3.35Å; E52-F54 PolarHBondContact O-N 3.47Å; F54-S56 VanDerWaalsContact C-N 3.35Å; F54-A57 PolarHBondContact O-N 2.92Å; F54-A58 WeakPolarHBondContact O-CB 3.35Å; F54-A58 PolarHBondContact O-N 3.41Å; F54-I71 HydrophobicContact CD1-CD1 4.38Å
55A64.5Low61.3Low49 Ų49103 Ų10341%0.40558%0.584SS.*Hα-helixtrans-61.6-44.4172.900000111T51 E52 A57 A58 H59T51-A55 WeakPolarHBondContact O-CB 3.27Å; T51-A55 PolarHBondContact O-N 2.96Å; E52-A55 PolarHBondContact O-N 3.29Å; A55-A57 PolarHBondContact O-N 3.07Å; A55-A58 PolarHBondContact O-N 3.48Å; A55-H59 PolarHBondContact O-CD2 3Å; A55-H59 PolarHBondContact O-N 3.48Å; A55-H59 VanDerWaalsContact O-N 3.14Å
56S68.6Low62.6Low79 Ų79105.4 Ų105.455%0.55258%0.583SS**Hα-helixtrans-62.6-39175.8-170.70000112.8E52 F54 H59 S60E52-S56 WeakPolarHBondContact O-CB 3.17Å; E52-S56 PolarHBondContact O-N 2.96Å; F54-S56 VanDerWaalsContact C-N 3.35Å; S56-H59 PolarHBondContact O-N 3.47Å; S56-S60 WeakPolarHBondContact O-CB 3.39Å; S56-S60 PolarHBondContact O-N 3.46Å; S56-S60 VanDerWaalsContact O-N 3.07Å; S56-S60 PolarHBondContact O-OG 3.35Å
57A65.8Low63.7Low30 Ų30100.2 Ų100.225%0.24856%0.56CS.*Hα-helixtrans-72.6-30.7177.900000113.3S53 F54 A55 H59 S60 L63S53-A57 WeakPolarHBondContact O-CB 3.39Å; S53-A57 PolarHBondContact O-N 3.4Å; F54-A57 PolarHBondContact O-N 2.92Å; A55-A57 PolarHBondContact O-N 3.07Å; A57-H59 VanDerWaalsContact C-N 3.34Å; A57-S60 PolarHBondContact O-OG 2.88Å; A57-L63 HydrophobicContact CB-CD1 4.45Å
58A63.5Low64.9Low37 Ų37101.9 Ų101.931%0.30654%0.543SS..Hα-helixtrans-68.6-34.317300000112F54 A55 L63F54-A58 WeakPolarHBondContact O-CB 3.35Å; F54-A58 PolarHBondContact O-N 3.41Å; A55-A58 PolarHBondContact O-N 3.48Å; A58-L63 HydrophobicContact CB-CD1 4.48Å
59H71.1Confident66Low169 Ų16996.1 Ų96.178%0.78253%0.529SS*.Hα-helixtrans-79.3-27.2176.4-72.9-60.3000114.1A55 S56 A57 G61A55-H59 PolarHBondContact O-CD2 3Å; A55-H59 PolarHBondContact O-N 3.48Å; A55-H59 VanDerWaalsContact O-N 3.14Å; S56-H59 PolarHBondContact O-N 3.47Å; A57-H59 VanDerWaalsContact C-N 3.34Å; H59-G61 PolarHBondContact O-N 3.15Å
60S75.3Confident67Low72 Ų7291 Ų9150%0.50352%0.517SS..THydrogen-bonded Turntrans-77.92.6-174.966.80000115.5S56 A57 V62S56-S60 WeakPolarHBondContact O-CB 3.39Å; S56-S60 PolarHBondContact O-N 3.46Å; S56-S60 VanDerWaalsContact O-N 3.07Å; S56-S60 PolarHBondContact O-OG 3.35Å; A57-S60 PolarHBondContact O-OG 2.88Å; S60-V62 PolarHBondContact O-N 3.16Å; S60-V62 WeakPolarHBondContact OG-CG2 3.42Å
61G70Confident68.2Low48 Ų4889.5 Ų89.550%0.49551%0.506SS..SBendtrans79.9-7.7177.700000115.1H59 L63 R68H59-G61 PolarHBondContact O-N 3.15Å; G61-L63 VanDerWaalsContact C-N 3.34Å; G61-L63 PolarHBondContact O-N 3.21Å; G61-R68 VanDerWaalsContact CA-NH2 3.34Å; G61-R68 PolarHBondContact O-NH2 3.16Å
62V72.7Confident68.9Low117 Ų11786.9 Ų86.971%0.70950%0.496SS*.  trans-72.4-22.6-169.6178.70000113.4S60S60-V62 PolarHBondContact O-N 3.16Å; S60-V62 WeakPolarHBondContact OG-CG2 3.42Å
63L75.1Confident69.7Low29 Ų2985 Ų8515%0.15249%0.49CS..SBendtrans-90.1132.5-177.3-54.5175.6000111.7A57 A58 G61 L67 R68 I71A57-L63 HydrophobicContact CB-CD1 4.45Å; A58-L63 HydrophobicContact CB-CD1 4.48Å; G61-L63 VanDerWaalsContact C-N 3.34Å; G61-L63 PolarHBondContact O-N 3.21Å; L63-L67 HydrophobicContact CB-CD2 4.35Å; L63-L67 HydrophobicContact CD2-CD2 3.58Å; L63-L67 HydrophobicContact CG-CD2 4.42Å; L63-R68 HydrophobicContact CB-CG 3.97Å; L63-R68 PolarHBondContact O-NE 3.06Å; L63-R68 PolarHBondContact O-NH2 3.29Å; L63-I71 HydrophobicContact CD1-CD1 3.79Å
64S80.7Confident70.4Confident75 Ų7585.1 Ų85.152%0.52449%0.487SS..  trans-59.8151.5172.682.10000111.2R66 L67 R68S64-R66 PolarHBondContact O-N 3.26Å; S64-R66 VanDerWaalsContact O-N 3.15Å; S64-L67 PolarHBondContact O-N 2.73Å; S64-L67 PolarHBondContact OG-N 3.04Å; S64-R68 PolarHBondContact O-N 2.85Å; S64-R68 VanDerWaalsContact O-N 3.07Å
65S70.1Confident71.2Confident93 Ų9383.2 Ų83.265%0.6549%0.485SS*.Hα-helixtrans-55.6-35-178.6-46.20000112.8R68 I69S65-R68 PolarHBondContact O-N 2.98Å; S65-I69 VanDerWaalsContact O-CG1 3.32Å; S65-I69 WeakPolarHBondContact O-CG1 3.31Å; S65-I69 PolarHBondContact O-N 3.09Å; S65-I69 VanDerWaalsContact O-N 3.16Å
66R68.5Low71.6Confident211 Ų21187.2 Ų87.280%0.79650%0.495SS*.Hα-helixtrans-62.5-46.5175.3-80.7-176.2167-177.1-4.4111.6S64 R68 I69 T70S64-R66 PolarHBondContact O-N 3.26Å; S64-R66 VanDerWaalsContact O-N 3.15Å; R66-R68 VanDerWaalsContact C-N 3.34Å; R66-R68 PolarHBondContact O-N 2.99Å; R66-I69 PolarHBondContact O-N 3.04Å; R66-T70 PolarHBondContact O-N 3.33Å; R66-T70 PolarHBondContact O-OG1 2.9Å; R66-T70 VanDerWaalsContact O-OG1 3.09Å
67L73.7Confident72Confident81 Ų8188.7 Ų88.742%0.42449%0.493SS..Hα-helixtrans-68.1-34.7-178.7-167.662.7000112L63 S64 T70 I71L63-L67 HydrophobicContact CB-CD2 4.35Å; L63-L67 HydrophobicContact CD2-CD2 3.58Å; L63-L67 HydrophobicContact CG-CD2 4.42Å; S64-L67 PolarHBondContact O-N 2.73Å; S64-L67 PolarHBondContact OG-N 3.04Å; L67-T70 PolarHBondContact O-N 2.9Å; L67-I71 HydrophobicContact CG-CD1 4.22Å; L67-I71 VanDerWaalsContact O-CG1 3.28Å; L67-I71 WeakPolarHBondContact O-CG1 3.24Å; L67-I71 PolarHBondContact O-N 2.84Å
68R66.9Low72.4Confident111 Ų11191.9 Ų91.942%0.41950%0.503SS..Hα-helixtrans-62.9-43.4173.3-64.9-175.6-162.6-168.95.4112.4G61 L63 S64 S65 R66 I71 A72G61-R68 VanDerWaalsContact CA-NH2 3.34Å; G61-R68 PolarHBondContact O-NH2 3.16Å; L63-R68 HydrophobicContact CB-CG 3.97Å; L63-R68 PolarHBondContact O-NE 3.06Å; L63-R68 PolarHBondContact O-NH2 3.29Å; S64-R68 PolarHBondContact O-N 2.85Å; S64-R68 VanDerWaalsContact O-N 3.07Å; S65-R68 PolarHBondContact O-N 2.98Å; R66-R68 VanDerWaalsContact C-N 3.34Å; R66-R68 PolarHBondContact O-N 2.99Å; R68-I71 PolarHBondContact O-N 3.4Å; R68-A72 WeakPolarHBondContact O-CB 3.32Å; R68-A72 PolarHBondContact O-N 3.4Å
69I73.9Confident72.9Confident105 Ų10595.2 Ų95.254%0.53852%0.515SS..Hα-helixtrans-64.1-43.7177.2-66.8165.6000110.2S65 R66 I71 A72 L73S65-I69 VanDerWaalsContact O-CG1 3.32Å; S65-I69 WeakPolarHBondContact O-CG1 3.31Å; S65-I69 PolarHBondContact O-N 3.09Å; S65-I69 VanDerWaalsContact O-N 3.16Å; R66-I69 PolarHBondContact O-N 3.04Å; I69-I71 PolarHBondContact O-N 3.44Å; I69-A72 PolarHBondContact O-N 3.07Å; I69-L73 HydrophobicContact CG2-CD1 4Å; I69-L73 HydrophobicContact CG2-CG 4.44Å; I69-L73 WeakPolarHBondContact O-CG 3.3Å; I69-L73 PolarHBondContact O-N 3.24Å
70T71.5Confident73Confident75 Ų7593.6 Ų93.646%0.4650%0.503SS..Hα-helixtrans-61.6-44176.9-54.80000112.1R66 L67 L73 V74R66-T70 PolarHBondContact O-N 3.33Å; R66-T70 PolarHBondContact O-OG1 2.9Å; R66-T70 VanDerWaalsContact O-OG1 3.09Å; L67-T70 PolarHBondContact O-N 2.9Å; T70-L73 PolarHBondContact O-N 3.17Å; T70-V74 WeakPolarHBondContact O-CG2 3.44Å; T70-V74 PolarHBondContact O-N 2.76Å
71I72.5Confident73.2Confident50 Ų5094.2 Ų94.226%0.25650%0.497SS..Hα-helixtrans-63.1-43176.7-68.9166.5000110.8F54 L63 L67 R68 I69 L73 V74 V75F54-I71 HydrophobicContact CD1-CD1 4.38Å; L63-I71 HydrophobicContact CD1-CD1 3.79Å; L67-I71 HydrophobicContact CG-CD1 4.22Å; L67-I71 VanDerWaalsContact O-CG1 3.28Å; L67-I71 WeakPolarHBondContact O-CG1 3.24Å; L67-I71 PolarHBondContact O-N 2.84Å; R68-I71 PolarHBondContact O-N 3.4Å; I69-I71 PolarHBondContact O-N 3.44Å; I71-L73 PolarHBondContact O-N 3.41Å; I71-V74 PolarHBondContact O-N 2.98Å; I71-V75 HydrophobicContact CG2-CG2 4.33Å; I71-V75 VanDerWaalsContact O-CG2 3.31Å; I71-V75 WeakPolarHBondContact O-CG2 3.36Å; I71-V75 PolarHBondContact O-N 3.47Å
72A66.9Low73.3Confident57 Ų57100.6 Ų100.647%0.47151%0.506SS..Hα-helixtrans-60.1-45.7177.900000111.9R68 I69 V74 V75 E76R68-A72 WeakPolarHBondContact O-CB 3.32Å; R68-A72 PolarHBondContact O-N 3.4Å; I69-A72 PolarHBondContact O-N 3.07Å; A72-V74 PolarHBondContact O-N 2.91Å; A72-V75 PolarHBondContact O-N 2.9Å; A72-E76 WeakPolarHBondContact O-CB 3.35Å; A72-E76 PolarHBondContact O-N 3.46Å
73L74.9Confident73.2Confident101 Ų10198.1 Ų98.153%0.52949%0.489SS..Hα-helixtrans-64.2-39.4178.6-69.8171.8000112.6I69 T70 I71 E76 E77I69-L73 HydrophobicContact CG2-CD1 4Å; I69-L73 HydrophobicContact CG2-CG 4.44Å; I69-L73 WeakPolarHBondContact O-CG 3.3Å; I69-L73 PolarHBondContact O-N 3.24Å; T70-L73 PolarHBondContact O-N 3.17Å; I71-L73 PolarHBondContact O-N 3.41Å; L73-E76 PolarHBondContact O-N 3.19Å; L73-E77 WeakPolarHBondContact O-CB 3.42Å; L73-E77 PolarHBondContact O-N 2.92Å
74V74.2Confident73.2Confident82 Ų82102.2 Ų102.250%0.49751%0.505SS..Hα-helixtrans-68.1-40.9177.4172.50000111.4T70 I71 A72 E77 E78T70-V74 WeakPolarHBondContact O-CG2 3.44Å; T70-V74 PolarHBondContact O-N 2.76Å; I71-V74 PolarHBondContact O-N 2.98Å; A72-V74 PolarHBondContact O-N 2.91Å; V74-E77 PolarHBondContact O-N 3.26Å; V74-E78 WeakPolarHBondContact O-CG 3.37Å; V74-E78 PolarHBondContact O-N 3.33Å
75V75Confident72.9Confident76 Ų76105.3 Ų105.346%0.46151%0.511SS..Hα-helixtrans-65.3-41.6176.4171.60000110.8I71 A72 E78 L79I71-V75 HydrophobicContact CG2-CG2 4.33Å; I71-V75 VanDerWaalsContact O-CG2 3.31Å; I71-V75 WeakPolarHBondContact O-CG2 3.36Å; I71-V75 PolarHBondContact O-N 3.47Å; A72-V75 PolarHBondContact O-N 2.9Å; V75-E78 PolarHBondContact O-N 3.09Å; V75-L79 HydrophobicContact CG1-CD1 3.86Å; V75-L79 HydrophobicContact CG1-CG 4.3Å; V75-L79 WeakPolarHBondContact O-CB 3.23Å; V75-L79 VanDerWaalsContact O-CG 3.26Å; V75-L79 WeakPolarHBondContact O-CG 3.4Å; V75-L79 PolarHBondContact O-N 3.19Å
76E72.1Confident73Confident133 Ų133105.7 Ų105.762%0.62151%0.51SS*.Hα-helixtrans-65.4-40.7178-160.3175.8-170.300111.8A72 L73 L79 Y80A72-E76 WeakPolarHBondContact O-CB 3.35Å; A72-E76 PolarHBondContact O-N 3.46Å; L73-E76 PolarHBondContact O-N 3.19Å; E76-L79 PolarHBondContact O-N 3.02Å; E76-Y80 VanDerWaalsContact O-CB 3.28Å; E76-Y80 WeakPolarHBondContact O-CB 3.31Å; E76-Y80 PolarHBondContact O-N 2.94Å
77E76.8Confident73Confident110 Ų110104.8 Ų104.851%0.51451%0.507SS..Hα-helixtrans-64.5-41.9175.6-163.2-170.614500112.2L73 V74 Y80 K81L73-E77 WeakPolarHBondContact O-CB 3.42Å; L73-E77 PolarHBondContact O-N 2.92Å; V74-E77 PolarHBondContact O-N 3.26Å; E77-Y80 PolarHBondContact O-N 2.93Å; E77-K81 WeakPolarHBondContact O-CG 3.24Å; E77-K81 PolarHBondContact O-N 3.4Å; E77-K81 WeakPolarHBondContact OE1-CE 3.44Å; E77-K81 IonicContact OE1-NZ 3.26Å; E77-K81 PolarHBondContact OE1-NZ 3.07Å
78E75.6Confident72.9Confident97 Ų97109 Ų10945%0.45352%0.522SS..Hα-helixtrans-71-35.9177.8-74-58.7128.400112.7V74 V75 K81 R82V74-E78 WeakPolarHBondContact O-CG 3.37Å; V74-E78 PolarHBondContact O-N 3.33Å; V75-E78 PolarHBondContact O-N 3.09Å; E78-K81 PolarHBondContact O-N 3.47Å; E78-K81 IonicContact OE1-NZ 3.98Å; E78-K81 PolarHBondContact OE1-NZ 2.99Å; E78-R82 PolarHBondContact O-N 3.11Å
79L72.8Confident72.4Confident108 Ų108113.4 Ų113.457%0.56554%0.538SS*.Hα-helixtrans-65.3-40.7171.3-73.2174.1000111.3V75 E76 R82 D83V75-L79 HydrophobicContact CG1-CD1 3.86Å; V75-L79 HydrophobicContact CG1-CG 4.3Å; V75-L79 WeakPolarHBondContact O-CB 3.23Å; V75-L79 VanDerWaalsContact O-CG 3.26Å; V75-L79 WeakPolarHBondContact O-CG 3.4Å; V75-L79 PolarHBondContact O-N 3.19Å; E76-L79 PolarHBondContact O-N 3.02Å; L79-R82 PolarHBondContact O-N 3.35Å; L79-D83 PolarHBondContact O-N 3.38Å
80Y74Confident71.4Confident135 Ų135114.2 Ų114.253%0.52955%0.55SS.*Hα-helixtrans-65.5-39.8175.8-176.7-99.3000112.4E76 E77 D83 K84E76-Y80 VanDerWaalsContact O-CB 3.28Å; E76-Y80 WeakPolarHBondContact O-CB 3.31Å; E76-Y80 PolarHBondContact O-N 2.94Å; E77-Y80 PolarHBondContact O-N 2.93Å; Y80-D83 PolarHBondContact O-N 2.76Å; Y80-K84 HydrophobicContact CE1-CD 3.86Å; Y80-K84 PolarHBondContact O-N 2.91Å; Y80-K84 VanDerWaalsContact OH-CE 3.24Å; Y80-K84 WeakPolarHBondContact OH-CE 3.2Å; Y80-K84 PolarHBondContact OH-NZ 2.94Å
81K78.9Confident70.2Confident85 Ų85119.7 Ų119.737%0.3757%0.568SS.*Hα-helixtrans-62.2-45.2172.5-76.2174.3-167.41550111.5E77 E78 K84 E85E77-K81 WeakPolarHBondContact O-CG 3.24Å; E77-K81 PolarHBondContact O-N 3.4Å; E77-K81 WeakPolarHBondContact OE1-CE 3.44Å; E77-K81 IonicContact OE1-NZ 3.26Å; E77-K81 PolarHBondContact OE1-NZ 3.07Å; E78-K81 PolarHBondContact O-N 3.47Å; E78-K81 IonicContact OE1-NZ 3.98Å; E78-K81 PolarHBondContact OE1-NZ 2.99Å; K81-K84 PolarHBondContact O-N 3.34Å; K81-E85 PolarHBondContact O-N 2.99Å
82R72.7Confident69.1Low181 Ų181122.9 Ų122.968%0.68360%0.595SS**Hα-helixtrans-63.1-42.8176.4-85.4-173.3172.3176.70.3112.8E78 L79 K84 E85 V86E78-R82 PolarHBondContact O-N 3.11Å; L79-R82 PolarHBondContact O-N 3.35Å; R82-K84 VanDerWaalsContact C-N 3.31Å; R82-K84 PolarHBondContact O-N 2.92Å; R82-E85 PolarHBondContact O-N 3.46Å; R82-V86 VanDerWaalsContact O-CG2 3.31Å; R82-V86 WeakPolarHBondContact O-CG2 3.35Å; R82-V86 PolarHBondContact O-N 3.39Å
83D71Confident68Low66 Ų66125.9 Ų125.935%0.35361%0.607SS.*Hα-helixtrans-62.3-39.7176.1-173.642.7000111.2L79 Y80 E85 V86 R87L79-D83 PolarHBondContact O-N 3.38Å; Y80-D83 PolarHBondContact O-N 2.76Å; D83-E85 PolarHBondContact O-N 3.35Å; D83-V86 PolarHBondContact O-N 3.45Å; D83-R87 WeakPolarHBondContact O-CG 3.39Å; D83-R87 PolarHBondContact O-N 3.03Å; D83-R87 IonicContact OD1-CZ 2.94Å; D83-R87 IonicContact OD1-NE 3.85Å; D83-R87 PolarHBondContact OD1-NE 3.43Å; D83-R87 IonicContact OD1-NH2 3.5Å; D83-R87 IonicContact OD2-CZ 3.58Å; D83-R87 IonicContact OD2-NE 3.16Å; D83-R87 PolarHBondContact OD2-NE 2.95Å; D83-R87 IonicContact OD2-NH2 3.21Å; D83-R87 PolarHBondContact OD2-NH2 3.34Å
84K75.1Confident66.9Low114 Ų114130 Ų13050%0.49662%0.623SS.*Hα-helixtrans-64-36172.8-96.3-173.2172.61740113.8Y80 K81 R82 K88Y80-K84 HydrophobicContact CE1-CD 3.86Å; Y80-K84 PolarHBondContact O-N 2.91Å; Y80-K84 VanDerWaalsContact OH-CE 3.24Å; Y80-K84 WeakPolarHBondContact OH-CE 3.2Å; Y80-K84 PolarHBondContact OH-NZ 2.94Å; K81-K84 PolarHBondContact O-N 3.34Å; R82-K84 VanDerWaalsContact C-N 3.31Å; R82-K84 PolarHBondContact O-N 2.92Å; K84-K88 WeakPolarHBondContact O-CG 3.37Å
85E74Confident65.3Low140 Ų140133.8 Ų133.865%0.65464%0.641SS**Hα-helixtrans-74.3-37.1176.7-74.9-170.1166.100112.5K81 R82 D83 R87 K88K81-E85 PolarHBondContact O-N 2.99Å; R82-E85 PolarHBondContact O-N 3.46Å; D83-E85 PolarHBondContact O-N 3.35Å; E85-R87 VanDerWaalsContact C-N 3.34Å; E85-K88 PolarHBondContact O-N 2.9Å
86V72.1Confident64.1Low102 Ų102133.8 Ų133.862%0.61866%0.656SS**Hα-helixtrans-65.3-38.8176.1172.50000110.9R82 D83 K88 R89R82-V86 VanDerWaalsContact O-CG2 3.31Å; R82-V86 WeakPolarHBondContact O-CG2 3.35Å; R82-V86 PolarHBondContact O-N 3.39Å; D83-V86 PolarHBondContact O-N 3.45Å; V86-K88 PolarHBondContact O-N 3.25Å; V86-R89 PolarHBondContact O-N 3.38Å
87R68.3Low63Low192 Ų192132.8 Ų132.873%0.72567%0.671SS**THydrogen-bonded Turntrans-70.9-9.4177.1-69.8-177.6-163.8-169.66.9115.1D83 E85D83-R87 WeakPolarHBondContact O-CG 3.39Å; D83-R87 PolarHBondContact O-N 3.03Å; D83-R87 IonicContact OD1-CZ 2.94Å; D83-R87 IonicContact OD1-NE 3.85Å; D83-R87 PolarHBondContact OD1-NE 3.43Å; D83-R87 IonicContact OD1-NH2 3.5Å; D83-R87 IonicContact OD2-CZ 3.58Å; D83-R87 IonicContact OD2-NE 3.16Å; D83-R87 PolarHBondContact OD2-NE 2.95Å; D83-R87 IonicContact OD2-NH2 3.21Å; D83-R87 PolarHBondContact OD2-NH2 3.34Å; E85-R87 VanDerWaalsContact C-N 3.34Å
88K71Confident61.6Low170 Ų170131.3 Ų131.374%0.73969%0.685SS**THydrogen-bonded Turntrans-93.1-3.8179.1-78-177.8179.4-175.60114.5K84 E85 V86 P90K84-K88 WeakPolarHBondContact O-CG 3.37Å; E85-K88 PolarHBondContact O-N 2.9Å; V86-K88 PolarHBondContact O-N 3.25Å; K88-P90 WeakPolarHBondContact O-CD 3.33Å
89R57.5Low59.8Low202 Ų202133.1 Ų133.176%0.76270%0.702SS**SBendtrans-88.9116.3177.2-68-171.1-173.2-171.61.9110.5V86 F91V86-R89 PolarHBondContact O-N 3.38Å; R89-F91 PolarHBondContact O-N 3.05Å
90P52.8Low58.4Low123 Ų123134.3 Ų134.380%0.79971%0.714SS**  trans-67.6125.8170.527-30.3000109.1K88 S92K88-P90 WeakPolarHBondContact O-CD 3.33Å; P90-S92 PolarHBondContact O-N 2.94Å
91F45.4Very low56.8Low190 Ų190133.7 Ų133.783%0.83373%0.727SS**  trans-76.9114.4167-81.6-91.5000108.6R89 V93R89-F91 PolarHBondContact O-N 3.05Å; F91-V93 PolarHBondContact O-N 3.07Å
92S49.3Very low54.6Low117 Ų117137.3 Ų137.382%0.81875%0.748SS**  trans-76.3112.7161.446.20000108.5P90P90-S92 PolarHBondContact O-N 2.94Å
93V44.3Very low53.2Low120 Ų120134.3 Ų134.373%0.72775%0.753SS**  trans-94.3108.3171.7179.60000107.6F91F91-V93 PolarHBondContact O-N 3.07Å
94E53Low51.3Low187 Ų187136.1 Ų136.187%0.87477%0.77SS**  trans-80.5129.6162.4-81.3-174.315900109.3
95N40.4Very low49.1Very low162 Ų162138.4 Ų138.487%0.86679%0.786SS**  trans-71.7123.4178.4-70.7-44.2000110.7
96G49.9Very low47Very low76 Ų76141.4 Ų141.478%0.78479%0.792SS**  trans-154108.5170.900000110.7
97A47.5Very low44.8Very low112 Ų112142.7 Ų142.793%0.92680%0.799SS**  trans-33.8136.8-177.800000117.7
98G47.4Very low43Very low79 Ų79139.8 Ų139.881%0.81480%0.798SS**  trans161.592.7165.300000115
99V38.6Very low40.8Very low134 Ų134141.6 Ų141.681%0.81281%0.807SS**  trans-52.9132.5179.7178.10000114.9
100T42.4Very low39.6Very low133 Ų133137 Ų13782%0.81681%0.812SS**  177.6150124.927.10000112.5
101P41.2Very low38.7Very low122 Ų122140 Ų14079%0.79282%0.815SS**PPolyproline II helixtrans-97159.5-156.837.6-34000116.3
102I32.9Very low38.1Very low161 Ų161136.9 Ų136.983%0.82681%0.814SS**PPolyproline II helixtrans-71.5147.8176.3-59.3162.4000111.9
103P43.8Very low37.1Very low119 Ų119137.9 Ų137.977%0.77382%0.819SS**PPolyproline II helixtrans-102.2117.5151.929.2-17.6000111.8
104S29.9Very low36.4Very low103 Ų103136.7 Ų136.772%0.7282%0.822SS**PPolyproline II helixtrans-68.7140.1163.6560000110.9
105I29.9Very low35.2Very low162 Ų162133.8 Ų133.883%0.83182%0.819SS**  trans-109.3113161.8-64.1177.1000108.1
106R28.9Very low34.4Very low204 Ų204132.2 Ų132.277%0.7782%0.815SS**  trans-78.6146.3163.3-78.9-177.9175.3-176.4-1.9109.2
107V26.6Very low33.2Very low129 Ų129135.9 Ų135.978%0.78282%0.816SS**  trans-124.3112.5155.8179.80000106.8
108D31.2Very low32.1Very low130 Ų130135.4 Ų135.470%0.69580%0.802SS**  trans-79.2140.9176.9-69.4-44.6000110.7
109F24.6Very low30.9Very low209 Ų209138 Ų13892%0.91780%0.796SS**  trans-90130.5164.4-78.2-92.1000108.9
110A31.3Very low30.3Very low105 Ų105139.9 Ų139.987%0.86879%0.794SS**  trans-105.8132.5171.200000111.2
111E34Very low29.4Very low186 Ų186140.3 Ų140.387%0.86979%0.79SS**  trans-67167.6-173.1-77.1178.5149.200116.7
112P32.8Very low29Very low125 Ų125141.7 Ų141.781%0.81279%0.789SS**  trans-89.6154.1176.936.8-32.8000113.1
113C28.8Very low28.9Very low138 Ų138137.5 Ų137.593%0.93279%0.786SS**  trans-116.1137.1171.7-76.40000112.6
114A29.9Very low28.2Very low94 Ų94135.5 Ų135.578%0.77779%0.787SS**PPolyproline II helixtrans-74.5170.1-173.800000114.7
115P27.7Very low28.5Very low126 Ų126140.1 Ų140.182%0.81880%0.797SS**PPolyproline II helixtrans-90.9149.3-170.835.6-30.7000113.7
116V24.1Very low28.8Very low130 Ų130140.9 Ų140.979%0.78880%0.797SS**PPolyproline II helixtrans-89.3124.1174.9172.60000110.7
117L23.4Very low29.4Very low153 Ų153139.1 Ų139.180%0.80180%0.803SS**PPolyproline II helixtrans-75.9134.4163.7-148.397.8000108.6L119L117-L119 HydrophobicContact CD2-CD1 4.48Å
118T24.5Very low29.9Very low101 Ų101141.1 Ų141.162%0.6280%0.801SS**  trans-128.7114.1167.5-55.60000109.4F120T118-F120 HydrophobicContact CG2-CD2 3.71Å; T118-F120 HydrophobicContact CG2-CE2 3.6Å
119L22.7Very low30.5Very low135 Ų135142.3 Ų142.371%0.70781%0.808SS**  trans-97.8120.6173.4-139.7132.2000106.5L117 I121L117-L119 HydrophobicContact CD2-CD1 4.48Å; L119-I121 HydrophobicContact CD2-CD1 4.12Å; L119-I121 HydrophobicContact CD2-CG1 3.95Å
120F25.1Very low31Very low172 Ų172138.5 Ų138.575%0.75481%0.805SS**  trans-105114.8169.4-94.4-84.6000109.2T118 L122T118-F120 HydrophobicContact CG2-CD2 3.71Å; T118-F120 HydrophobicContact CG2-CE2 3.6Å; F120-L122 HydrophobicContact CD1-CD1 4.36Å
121I24.4Very low31.1Very low143 Ų143139 Ų13973%0.73380%0.802SS**  trans-104.9116.7159.3-60.9174.9000105.9L119L119-I121 HydrophobicContact CD2-CD1 4.12Å; L119-I121 HydrophobicContact CD2-CG1 3.95Å
122L32.4Very low31.2Very low150 Ų150136.3 Ų136.379%0.78580%0.803SS**  trans-128.4114.4159.7-69.8169.8000103.6F120F120-L122 HydrophobicContact CD1-CD1 4.36Å
123G31.8Very low31.3Very low73 Ų73142.1 Ų142.175%0.75381%0.809SS**  64.5101.180.200000107.7
124G27.6Very low31.5Very low77 Ų77140.9 Ų140.979%0.79480%0.799SS**  cis114.510448.400000105.9
125E36.4Very low31.5Very low200 Ų200140.8 Ų140.894%0.93580%0.798SS**  trans-155.7122.8160.1-119.1179-167.900109.1
126E36.9Very low31.5Very low179 Ų179139.7 Ų139.784%0.83679%0.793SS**  trans-71.8137.2-179.5-61.4179.6153.100110.3
127N40.5Very low31.8Very low167 Ų167142.7 Ų142.789%0.89380%0.796SS**  trans-145.4128.2148.3-127.2-20.6000110.6
128K38.5Very low31.9Very low170 Ų170143.9 Ų143.974%0.73980%0.795SS**  trans-76.4131.7-177.4-65.5168.9179.2171.80108.7
129D43Very low32.2Very low155 Ų155147.2 Ų147.283%0.82981%0.809SS**  trans154142136.5-76.7-21.7000112
130C36.2Very low32.2Very low129 Ų129148 Ų14887%0.87281%0.811SS**  trans83.899.4171-64.10000118.2
131S33Very low32.5Very low115 Ų115149.9 Ų149.980%0.80481%0.814SS**  trans-58.1126.1167.6520000114.4
132C36.4Very low32.8Very low131 Ų131154.8 Ų154.889%0.88582%0.824SS**  trans-161.6113.2142.6-92.80000107.7
133R33.6Very low32.5Very low247 Ų247151.9 Ų151.993%0.93282%0.821SS**  trans-64.8137.7-174.7-67.8175.5173.4176.9-2.9111.8
134P33.1Very low32.4Very low111 Ų111155.2 Ų155.272%0.72182%0.817SS**  trans-86.5116.7156.530.9-22.9000108.6S136P134-S136 VanDerWaalsContact C-N 3.31Å; P134-S136 PolarHBondContact O-N 3.26Å
135A31.3Very low32.5Very low92 Ų92157.5 Ų157.576%0.7682%0.817SS**  trans-72.790.2167.300000108.7F137A135-F137 PolarHBondContact O-N 2.81Å
136S26.5Very low32.4Very low103 Ų103158.6 Ų158.672%0.7281%0.813SS**  trans-78.998.5162.9-41.20000107.5P134P134-S136 VanDerWaalsContact C-N 3.31Å; P134-S136 PolarHBondContact O-N 3.26Å
137F30.4Very low32.2Very low193 Ų193155.1 Ų155.185%0.84682%0.815SS**  trans-114112171.1-97.4-83.7000111.8A135A135-F137 PolarHBondContact O-N 2.81Å
138F26.2Very low31.8Very low178 Ų178156 Ų15678%0.78181%0.811SS**  trans-16.3133.8149.6-90.5-104000116.8
139L29.5Very low31.6Very low172 Ų172155.3 Ų155.390%0.90182%0.815SS**  trans-147.192.5140.6-112.1152.8000108.6
140M24.4Very low31.1Very low152 Ų152151.2 Ų151.275%0.74981%0.81SS**  trans-119.688.9171.6-169.6-171.5103.100106.8
141Y29.9Very low30.8Very low211 Ų211153.5 Ų153.583%0.82781%0.811SS**  trans-164128.6166.9-92.9-84.1000104.1
142W30.7Very low30.7Very low246 Ų246154.5 Ų154.593%0.93281%0.812SS**  cis-162.5139.540.7-151.516.4000108.9
143A27.3Very low30.5Very low89 Ų89153.1 Ų153.174%0.73680%0.804SS**  trans-107.4130.6170.400000108.9
144H28.2Very low30.4Very low143 Ų143149.8 Ų149.866%0.66280%0.804SS**  trans-179.1123.3131.4-146.2-67.7000111.8
145P30Very low30.4Very low124 Ų124152 Ų15281%0.80581%0.81SS**  trans-97.598.3166.233.3-22.9000109.2
146R34Very low30.5Very low224 Ų224150.7 Ų150.785%0.84581%0.805SS**  trans-152.297.7165.2-90.2-169.1-178175.9-0.9110.4
147A33Very low30.8Very low105 Ų105157.4 Ų157.487%0.86882%0.815SS**  trans-165.1101.414100000107.2
148K32.4Very low31Very low186 Ų186155.1 Ų155.181%0.80982%0.817SS**  trans-74.4143.3161.9-95-179.4170.3-172.60107.8
149D34.1Very low31.6Very low155 Ų155151.3 Ų151.383%0.82981%0.811SS**  trans61.2109.5151-47-30.1000117.2
150G33.7Very low32.1Very low70 Ų70146.8 Ų146.872%0.72281%0.806SS**  trans175.277.4170.900000113.4V152G150-V152 PolarHBondContact O-N 3.08Å
151I29.4Very low32.9Very low176 Ų176144 Ų14490%0.90380%0.8SS**  trans-57.6121.7164-64166.1000107.9
152V31.8Very low33.4Very low136 Ų136141.2 Ų141.282%0.82480%0.799SS**  trans-132.5121.5164-1780000109.3G150G150-V152 PolarHBondContact O-N 3.08Å
153S32.1Very low34.1Very low103 Ų103140 Ų14072%0.7279%0.794SS**  trans-56137.1176.8-167.50000112.3D155S153-D155 PolarHBondContact O-N 2.98Å
154L30.2Very low35.6Very low176 Ų176141.2 Ų141.292%0.92179%0.788SS**  trans-72.8106.5166.8-86.9152.8000108.5
155D34.5Very low36.5Very low157 Ų157139.8 Ų139.884%0.8479%0.785SS**  trans-123.9130.4160.6-136.2-9.5000109.1S153 R157S153-D155 PolarHBondContact O-N 2.98Å; D155-R157 PolarHBondContact O-N 3.43Å
156G32Very low38.4Very low65 Ų65139.8 Ų139.867%0.6778%0.779SS**  trans-55.9128.4-159.300000114.4
157R34.2Very low40Very low244 Ų244135.7 Ų135.792%0.92177%0.769SS**  trans-169.4136.8150.5-102165.1-135.8-148.46.6109.9D155 C159D155-R157 PolarHBondContact O-N 3.43Å; R157-C159 PolarHBondContact O-N 3.38Å
158T33.1Very low41.3Very low145 Ų145138.7 Ų138.789%0.8976%0.758SS**  trans-49.7111.1-177.337.70000114
159C38.5Very low43.1Very low99 Ų99133.5 Ų133.567%0.66974%0.742SS**  trans-77.1121.9167.2166.90000110.4R157 C161R157-C159 PolarHBondContact O-N 3.38Å; C159-C161 WeakPolarHBondContact CB-SG 3.4Å; C159-C161 PolarHBondContact O-N 3.01Å; C159-C161 PolarHBondContact O-SG 2.94Å; C159-C161 VanDerWaalsContact O-SG 3.36Å; C159-C161 WeakPolarHBondContact SG-CB 2.93Å; C159-C161 CovalentContact SG-SG 2.08Å; C159-C161 PolarHBondContact SG-SG 3.28Å
160G40.1Very low45Very low76 Ų76130.8 Ų130.878%0.78473%0.731SS**  trans-74.247.3176.600000114.8L162G160-L162 VanDerWaalsContact C-N 3.28Å; G160-L162 PolarHBondContact O-N 3.18Å
161C42.8Very low46.6Very low94 Ų94133.6 Ų133.664%0.63573%0.729SS**  trans-88.928.3-174.414.20000114.1C159C159-C161 WeakPolarHBondContact CB-SG 3.4Å; C159-C161 PolarHBondContact O-N 3.01Å; C159-C161 PolarHBondContact O-SG 2.94Å; C159-C161 VanDerWaalsContact O-SG 3.36Å; C159-C161 WeakPolarHBondContact SG-CB 2.93Å; C159-C161 CovalentContact SG-SG 2.08Å; C159-C161 PolarHBondContact SG-SG 3.28Å
162L40.4Very low48.4Very low153 Ų153128.8 Ų128.880%0.80170%0.703SS**  trans-100.317.3-176.6-105159.6000114.7G160G160-L162 VanDerWaalsContact C-N 3.28Å; G160-L162 PolarHBondContact O-N 3.18Å
163R44.8Very low50.3Low220 Ų220125.1 Ų125.183%0.8369%0.687SS**SBendtrans-87.2-11-179.6-78.6-171.4-177.9-174.11.2115.6
164D57.7Low52.3Low114 Ų114123 Ų12361%0.6168%0.675SS**Hα-helixtrans-90-6.7-174.8-70.2-14.7000114.6W168D164-W168 PolarHBondContact O-N 3.4Å; D164-W168 VanDerWaalsContact O-N 3.16Å
165L49.1Very low54.1Low113 Ų113119.8 Ų119.859%0.59265%0.651SS**Hα-helixtrans-71.2-35.4179.2-150.676.5000111.7W168 T169L165-W168 PolarHBondContact O-N 3.33Å; L165-T169 WeakPolarHBondContact O-CB 3.47Å; L165-T169 PolarHBondContact O-N 2.84Å; L165-T169 PolarHBondContact O-OG1 3.25Å
166D68.2Low55.8Low125 Ų125114.7 Ų114.767%0.66863%0.626SS**Hα-helixtrans-70.4-37.3178-80.1-18.1000112.2T169 T170D166-T169 PolarHBondContact O-N 2.94Å; D166-T170 WeakPolarHBondContact O-CB 3.48Å; D166-T170 PolarHBondContact O-N 3.22Å; D166-T170 PolarHBondContact O-OG1 3.25Å
167E67.4Low57.7Low138 Ų138119.3 Ų119.365%0.64563%0.627SS**Hα-helixtrans-65.3-42.7173.9-74.9-167.3174.300111.1T169 T170 L171E167-T169 PolarHBondContact O-N 2.93Å; E167-T170 PolarHBondContact O-N 3.49Å; E167-L171 WeakPolarHBondContact O-CB 3.16Å; E167-L171 PolarHBondContact O-N 3.45Å
168W60.8Low59.3Low167 Ų167114.3 Ų114.363%0.63361%0.614SS**Hα-helixtrans-63.3-43.1176.1-169.886.9000112.2D164 L165 T170 L171 H172D164-W168 PolarHBondContact O-N 3.4Å; D164-W168 VanDerWaalsContact O-N 3.16Å; L165-W168 PolarHBondContact O-N 3.33Å; W168-T170 VanDerWaalsContact C-N 3.29Å; W168-T170 PolarHBondContact O-N 3.27Å; W168-L171 PolarHBondContact O-N 3.33Å; W168-H172 HydrophobicContact CE3-CB 4.39Å; W168-H172 HydrophobicContact CH2-CB 4.49Å; W168-H172 AromaticContact CH2-CD2 3.83Å; W168-H172 HydrophobicContact CZ3-CB 4.32Å; W168-H172 VanDerWaalsContact O-CB 3.23Å; W168-H172 WeakPolarHBondContact O-CB 3.37Å; W168-H172 PolarHBondContact O-N 3.25Å
169T69.6Low60.6Low77 Ų77109.8 Ų109.847%0.47259%0.585SS.*Hα-helixtrans-63.6-38.4177.6-44.20000111.1L165 D166 E167 A173L165-T169 WeakPolarHBondContact O-CB 3.47Å; L165-T169 PolarHBondContact O-N 2.84Å; L165-T169 PolarHBondContact O-OG1 3.25Å; D166-T169 PolarHBondContact O-N 2.94Å; E167-T169 PolarHBondContact O-N 2.93Å; T169-A173 VanDerWaalsContact O-CB 3.27Å; T169-A173 WeakPolarHBondContact O-CB 3.25Å; T169-A173 PolarHBondContact O-N 3.48Å
170T74.3Confident61.9Low98 Ų98107.6 Ų107.660%0.60157%0.57SS**Hα-helixtrans-67.5-43.6176-57.40000111.8D166 E167 W168 A173 A174D166-T170 WeakPolarHBondContact O-CB 3.48Å; D166-T170 PolarHBondContact O-N 3.22Å; D166-T170 PolarHBondContact O-OG1 3.25Å; E167-T170 PolarHBondContact O-N 3.49Å; W168-T170 VanDerWaalsContact C-N 3.29Å; W168-T170 PolarHBondContact O-N 3.27Å; T170-A173 PolarHBondContact O-N 3.06Å; T170-A174 WeakPolarHBondContact O-CB 3.24Å; T170-A174 PolarHBondContact O-N 2.78Å
171L67.8Low63.3Low130 Ų130108 Ų10868%0.68156%0.561SS**Hα-helixtrans-68.6-40.7179.2-143.4113.7000111.4E167 W168 A174 Y175E167-L171 WeakPolarHBondContact O-CB 3.16Å; E167-L171 PolarHBondContact O-N 3.45Å; W168-L171 PolarHBondContact O-N 3.33Å; L171-A174 PolarHBondContact O-N 3.35Å; L171-Y175 WeakPolarHBondContact O-CB 3.23Å; L171-Y175 PolarHBondContact O-N 2.66Å
172H66.8Low64.3Low75 Ų75108.7 Ų108.735%0.34756%0.562SS.*Hα-helixtrans-64.1-40.5174.6-171.3-88.1000111.3W168 T176W168-H172 HydrophobicContact CE3-CB 4.39Å; W168-H172 HydrophobicContact CH2-CB 4.49Å; W168-H172 AromaticContact CH2-CD2 3.83Å; W168-H172 HydrophobicContact CZ3-CB 4.32Å; W168-H172 VanDerWaalsContact O-CB 3.23Å; W168-H172 WeakPolarHBondContact O-CB 3.37Å; W168-H172 PolarHBondContact O-N 3.25Å; H172-T176 VanDerWaalsContact O-CB 3.32Å; H172-T176 WeakPolarHBondContact O-CB 3.39Å; H172-T176 PolarHBondContact O-N 3.44Å; H172-T176 PolarHBondContact O-OG1 3.27Å
173A72.9Confident64.9Low59 Ų59103.4 Ų103.449%0.48854%0.538SS..Hα-helixtrans-64.9-42.3174.800000112.4T169 T170 K177T169-A173 VanDerWaalsContact O-CB 3.27Å; T169-A173 WeakPolarHBondContact O-CB 3.25Å; T169-A173 PolarHBondContact O-N 3.48Å; T170-A173 PolarHBondContact O-N 3.06Å; A173-K177 VanDerWaalsContact O-CB 3.31Å; A173-K177 WeakPolarHBondContact O-CB 3.46Å; A173-K177 PolarHBondContact O-N 2.84Å
174A74.2Confident65.1Low57 Ų5798.7 Ų98.747%0.47154%0.537SS..Hα-helixtrans-64.1-45.417600000112.1T170 L171 K177 E178T170-A174 WeakPolarHBondContact O-CB 3.24Å; T170-A174 PolarHBondContact O-N 2.78Å; L171-A174 PolarHBondContact O-N 3.35Å; A174-K177 WeakPolarHBondContact O-CB 3.38Å; A174-K177 PolarHBondContact O-N 2.85Å; A174-E178 PolarHBondContact O-N 2.97Å
175Y66.6Low65.4Low110 Ų11094.6 Ų94.643%0.43152%0.516SS..Hα-helixtrans-63.1-44.2176.6-179.4-105.9000112.4L171 K177 E178 L179 M202L171-Y175 WeakPolarHBondContact O-CB 3.23Å; L171-Y175 PolarHBondContact O-N 2.66Å; Y175-K177 VanDerWaalsContact C-N 3.3Å; Y175-K177 PolarHBondContact O-N 2.97Å; Y175-E178 PolarHBondContact O-N 2.97Å; Y175-L179 HydrophobicContact CD1-CD1 3.76Å; Y175-L179 HydrophobicContact CD1-CG 4.46Å; Y175-L179 HydrophobicContact CE1-CD1 3.17Å; Y175-L179 HydrophobicContact CE1-CG 4.07Å; Y175-L179 HydrophobicContact CE2-CD1 4.22Å; Y175-L179 HydrophobicContact CE2-CG 4.3Å; Y175-L179 HydrophobicContact CG-CD1 4.49Å; Y175-L179 VanDerWaalsContact CZ-CD1 3.44Å; Y175-L179 WeakPolarHBondContact O-CB 3.38Å; Y175-L179 PolarHBondContact O-N 3.16Å; Y175-M202 HydrophobicContact CE1-CE 4.31Å; Y175-M202 VanDerWaalsContact OH-CE 3.27Å; Y175-M202 WeakPolarHBondContact OH-CE 3.29Å
176T69.7Low66.7Low49 Ų4997.2 Ų97.230%0.30153%0.531SS..Hα-helixtrans-62.8-38.7176.2-53.10000111.2H172 S180H172-T176 VanDerWaalsContact O-CB 3.32Å; H172-T176 WeakPolarHBondContact O-CB 3.39Å; H172-T176 PolarHBondContact O-N 3.44Å; H172-T176 PolarHBondContact O-OG1 3.27Å; T176-S180 WeakPolarHBondContact O-CB 3.49Å; T176-S180 PolarHBondContact O-N 3Å; T176-S180 PolarHBondContact O-OG 2.75Å
177K72.8Confident67.4Low162 Ų16294.2 Ų94.270%0.70452%0.515SS*.Hα-helixtrans-64.8-46.6176.4-173.1177.9178.9-179.10111.9A173 A174 Y175 S180 S181A173-K177 VanDerWaalsContact O-CB 3.31Å; A173-K177 WeakPolarHBondContact O-CB 3.46Å; A173-K177 PolarHBondContact O-N 2.84Å; A174-K177 WeakPolarHBondContact O-CB 3.38Å; A174-K177 PolarHBondContact O-N 2.85Å; Y175-K177 VanDerWaalsContact C-N 3.3Å; Y175-K177 PolarHBondContact O-N 2.97Å; K177-S180 PolarHBondContact O-N 3.42Å; K177-S180 PolarHBondContact O-OG 3.47Å; K177-S181 PolarHBondContact O-N 3.39Å
178E68.9Low68Low139 Ų13992.5 Ų92.565%0.6552%0.516SS*.Hα-helixtrans-61.5-47.7174-93.6-123.2152.200112.3A174 Y175 S180 S181 V182A174-E178 PolarHBondContact O-N 2.97Å; Y175-E178 PolarHBondContact O-N 2.97Å; E178-S180 VanDerWaalsContact C-N 3.27Å; E178-S180 PolarHBondContact O-N 3.21Å; E178-S181 WeakPolarHBondContact O-CA 3.22Å; E178-S181 WeakPolarHBondContact O-CB 3.32Å; E178-S181 PolarHBondContact O-N 3.07Å; E178-S181 PolarHBondContact O-OG 2.82Å; E178-V182 WeakPolarHBondContact O-CG2 3.41Å; E178-V182 PolarHBondContact O-N 3.29Å
179L59.8Low68.8Low51 Ų5188.6 Ų88.627%0.26751%0.511SS..Hα-helixtrans-60.2-38177.1-80178.2000112.5Y175 S181 V182 C183 M198Y175-L179 HydrophobicContact CD1-CD1 3.76Å; Y175-L179 HydrophobicContact CD1-CG 4.46Å; Y175-L179 HydrophobicContact CE1-CD1 3.17Å; Y175-L179 HydrophobicContact CE1-CG 4.07Å; Y175-L179 HydrophobicContact CE2-CD1 4.22Å; Y175-L179 HydrophobicContact CE2-CG 4.3Å; Y175-L179 HydrophobicContact CG-CD1 4.49Å; Y175-L179 VanDerWaalsContact CZ-CD1 3.44Å; Y175-L179 WeakPolarHBondContact O-CB 3.38Å; Y175-L179 PolarHBondContact O-N 3.16Å; L179-S181 PolarHBondContact O-N 3.23Å; L179-V182 PolarHBondContact O-N 2.82Å; L179-C183 PolarHBondContact O-N 2.93Å; L179-M198 HydrophobicContact CD1-SD 4.38Å
180S65.8Low69Low52 Ų5289.9 Ų89.936%0.36451%0.511SS..Hα-helixtrans-65.8-21.2175.975.90000113.4T176 K177 E178T176-S180 WeakPolarHBondContact O-CB 3.49Å; T176-S180 PolarHBondContact O-N 3Å; T176-S180 PolarHBondContact O-OG 2.75Å; K177-S180 PolarHBondContact O-N 3.42Å; K177-S180 PolarHBondContact O-OG 3.47Å; E178-S180 VanDerWaalsContact C-N 3.27Å; E178-S180 PolarHBondContact O-N 3.21Å
181S69.2Low68.9Low84 Ų8490.5 Ų90.559%0.58750%0.502SS*.Hα-helixtrans-87.9-21.417776.20000113.5K177 E178 L179K177-S181 PolarHBondContact O-N 3.39Å; E178-S181 WeakPolarHBondContact O-CA 3.22Å; E178-S181 WeakPolarHBondContact O-CB 3.32Å; E178-S181 PolarHBondContact O-N 3.07Å; E178-S181 PolarHBondContact O-OG 2.82Å; L179-S181 PolarHBondContact O-N 3.23Å
182V62.5Low69.1Low110 Ų11087 Ų8767%0.66749%0.492SS*.Hα-helixtrans-94.5-20-177.5179.60000112.3E178 L179E178-V182 WeakPolarHBondContact O-CG2 3.41Å; E178-V182 PolarHBondContact O-N 3.29Å; L179-V182 PolarHBondContact O-N 2.82Å
183C54.7Low69.5Low42 Ų4289.5 Ų89.528%0.28450%0.504SS..  trans-99.4101.6177.1-68.60000111.9L179 P185L179-C183 PolarHBondContact O-N 2.93Å; C183-P185 WeakPolarHBondContact O-CD 3.34Å
184C48.5Very low69.3Low120 Ų12091.2 Ų91.281%0.81150%0.502SS*.  trans-91.690.3166.5-73.50000111.6
185P64.2Low69.2Low28 Ų2891.2 Ų91.218%0.18250%0.496CS..  trans-103.9128.7140.828.5-19.7000108.3C183 N187 E190 R191C183-P185 WeakPolarHBondContact O-CD 3.34Å; P185-N187 PolarHBondContact O-N 3Å; P185-E190 HydrophobicContact CB-CB 4.12Å; P185-E190 HydrophobicContact CG-CB 4.33Å; P185-R191 HydrophobicContact CG-CB 4.2Å
186D76.4Confident69.4Low169 Ų16990.7 Ų90.790%0.90450%0.504SS*.SBendtrans-63.3-8.3174.7-65.2-40.7000112.5P188D186-P188 WeakPolarHBondContact O-CD 3.42Å
187N83.1Confident69.5Low62 Ų6293.4 Ų93.433%0.33251%0.514SS..  trans-98.3112.1179.7-171-14.3000111.4P185 T189 E190 R191P185-N187 PolarHBondContact O-N 3Å; N187-T189 PolarHBondContact O-N 3.02Å; N187-T189 VanDerWaalsContact O-N 3.13Å; N187-T189 VanDerWaalsContact OD1-CB 3.25Å; N187-T189 WeakPolarHBondContact OD1-CB 3.27Å; N187-T189 PolarHBondContact OD1-N 3.24Å; N187-T189 PolarHBondContact OD1-OG1 2.87Å; N187-T189 VanDerWaalsContact OD1-OG1 3.06Å; N187-E190 HydrophobicContact CB-CB 4.14Å; N187-E190 HydrophobicContact CB-CG 4.07Å; N187-E190 PolarHBondContact O-N 3.42Å; N187-E190 VanDerWaalsContact O-N 3.13Å; N187-R191 PolarHBondContact O-N 3.34Å; N187-R191 VanDerWaalsContact O-N 3.08Å
188P80.1Confident69.2Low101 Ų10189.2 Ų89.266%0.65650%0.498SS*.Hα-helixtrans-60-24.7178.122.6-31.8000113.2D186 A192D186-P188 WeakPolarHBondContact O-CD 3.42Å; P188-A192 WeakPolarHBondContact O-CB 3.33Å; P188-A192 PolarHBondContact O-N 3.36Å
189T76.3Confident69.6Low86 Ų8686 Ų8653%0.52849%0.485SS..Hα-helixtrans-71.5-42.5177-40.70000111.6N187 A192 Q193N187-T189 PolarHBondContact O-N 3.02Å; N187-T189 VanDerWaalsContact O-N 3.13Å; N187-T189 VanDerWaalsContact OD1-CB 3.25Å; N187-T189 WeakPolarHBondContact OD1-CB 3.27Å; N187-T189 PolarHBondContact OD1-N 3.24Å; N187-T189 PolarHBondContact OD1-OG1 2.87Å; N187-T189 VanDerWaalsContact OD1-OG1 3.06Å; T189-A192 PolarHBondContact O-N 3.42Å; T189-Q193 WeakPolarHBondContact O-CG 3.45Å; T189-Q193 PolarHBondContact O-N 3.37Å
190E73.7Confident70.3Confident103 Ų10385.2 Ų85.248%0.48149%0.489SS..Hα-helixtrans-68.9-37.5176.1-71.7178-177.200111P185 N187 A192 Q193 H194P185-E190 HydrophobicContact CB-CB 4.12Å; P185-E190 HydrophobicContact CG-CB 4.33Å; N187-E190 HydrophobicContact CB-CB 4.14Å; N187-E190 HydrophobicContact CB-CG 4.07Å; N187-E190 PolarHBondContact O-N 3.42Å; N187-E190 VanDerWaalsContact O-N 3.13Å; E190-A192 PolarHBondContact O-N 2.98Å; E190-Q193 PolarHBondContact O-N 3.18Å; E190-H194 WeakPolarHBondContact O-CB 3.14Å; E190-H194 PolarHBondContact O-N 2.92Å
191R72.5Confident70.4Confident111 Ų11189.3 Ų89.342%0.41950%0.497SS..Hα-helixtrans-58.8-47.5172.4-172.3-178.5-70.7-178.4-1.9111.4P185 N187 Q193 H194 V195P185-R191 HydrophobicContact CG-CB 4.2Å; N187-R191 PolarHBondContact O-N 3.34Å; N187-R191 VanDerWaalsContact O-N 3.08Å; R191-Q193 PolarHBondContact O-N 2.95Å; R191-H194 PolarHBondContact O-N 3.41Å; R191-V195 WeakPolarHBondContact O-CG2 3.38Å; R191-V195 PolarHBondContact O-N 3.35Å
192A72.9Confident70.4Confident56 Ų5689.4 Ų89.446%0.46349%0.489SS..Hα-helixtrans-63.3-40.7178.700000112.3P188 T189 E190 T196P188-A192 WeakPolarHBondContact O-CB 3.33Å; P188-A192 PolarHBondContact O-N 3.36Å; T189-A192 PolarHBondContact O-N 3.42Å; E190-A192 PolarHBondContact O-N 2.98Å; A192-T196 WeakPolarHBondContact O-CB 3.43Å; A192-T196 PolarHBondContact O-N 3.06Å; A192-T196 PolarHBondContact O-OG1 3.26Å
193Q74.4Confident70.7Confident129 Ų12988.3 Ų88.360%0.60349%0.486SS*.Hα-helixtrans-64.1-43.1174.5-74.3179.9-8.100112T189 E190 R191 T196 Q197T189-Q193 WeakPolarHBondContact O-CG 3.45Å; T189-Q193 PolarHBondContact O-N 3.37Å; E190-Q193 PolarHBondContact O-N 3.18Å; R191-Q193 PolarHBondContact O-N 2.95Å; Q193-T196 PolarHBondContact O-N 3.21Å; Q193-Q197 VanDerWaalsContact O-CB 3.28Å; Q193-Q197 WeakPolarHBondContact O-CB 3.32Å; Q193-Q197 PolarHBondContact O-N 3.42Å
194H68.7Low71.5Confident94 Ų9490.7 Ų90.744%0.43550%0.495SS..Hα-helixtrans-66.6-40.3-179.3-144.7-90.9000112.2E190 R191 Q197 M198E190-H194 WeakPolarHBondContact O-CB 3.14Å; E190-H194 PolarHBondContact O-N 2.92Å; R191-H194 PolarHBondContact O-N 3.41Å; H194-Q197 PolarHBondContact O-N 3.45Å; H194-M198 WeakPolarHBondContact O-CB 3.46Å; H194-M198 PolarHBondContact O-N 3.35Å
195V71.5Confident72.7Confident58 Ų5889.5 Ų89.535%0.35248%0.479SS..Hα-helixtrans-64.8-44.6174.1172.10000110.9R191 Q197 M198 N199R191-V195 WeakPolarHBondContact O-CG2 3.38Å; R191-V195 PolarHBondContact O-N 3.35Å; V195-Q197 VanDerWaalsContact C-N 3.32Å; V195-Q197 PolarHBondContact O-N 2.83Å; V195-M198 PolarHBondContact O-N 2.81Å; V195-N199 WeakPolarHBondContact O-CB 3.3Å; V195-N199 PolarHBondContact O-N 2.84Å; V195-N199 PolarHBondContact O-OD1 3.15Å
196T72.7Confident73.2Confident98 Ų9892.3 Ų92.360%0.60150%0.496SS*.Hα-helixtrans-63.1-41.1178-52.20000111.3A192 Q193 N199 G200A192-T196 WeakPolarHBondContact O-CB 3.43Å; A192-T196 PolarHBondContact O-N 3.06Å; A192-T196 PolarHBondContact O-OG1 3.26Å; Q193-T196 PolarHBondContact O-N 3.21Å; T196-N199 PolarHBondContact O-N 3.01Å; T196-G200 PolarHBondContact O-N 3.36Å
197Q71Confident73.1Confident107 Ų10791.2 Ų91.250%0.548%0.483SS..Hα-helixtrans-67.2-42.4177.7-169.81778.900111.8Q193 H194 V195 G200 Y201Q193-Q197 VanDerWaalsContact O-CB 3.28Å; Q193-Q197 WeakPolarHBondContact O-CB 3.32Å; Q193-Q197 PolarHBondContact O-N 3.42Å; H194-Q197 PolarHBondContact O-N 3.45Å; V195-Q197 VanDerWaalsContact C-N 3.32Å; V195-Q197 PolarHBondContact O-N 2.83Å; Q197-G200 PolarHBondContact O-N 2.84Å; Q197-Y201 HydrophobicContact CG-CD2 3.99Å; Q197-Y201 HydrophobicContact CG-CE2 3.61Å; Q197-Y201 WeakPolarHBondContact O-CD2 3.1Å; Q197-Y201 PolarHBondContact O-N 2.93Å
198M66Low72.7Confident74 Ų7494.9 Ų94.937%0.36550%0.496SS..Hα-helixtrans-64.9-39.8174.8-83.1-166.2154.800112.5L179 H194 V195 G200 Y201 M202L179-M198 HydrophobicContact CD1-SD 4.38Å; H194-M198 WeakPolarHBondContact O-CB 3.46Å; H194-M198 PolarHBondContact O-N 3.35Å; V195-M198 PolarHBondContact O-N 2.81Å; M198-G200 VanDerWaalsContact C-N 3.32Å; M198-G200 PolarHBondContact O-N 3.36Å; M198-Y201 PolarHBondContact O-N 3.41Å; M198-M202 PolarHBondContact O-N 3.36Å
199N77.5Confident72.6Confident71 Ų7193.6 Ų93.638%0.3849%0.489SS..Hα-helixtrans-61.6-42174.2-71.1-9.7000111V195 T196 Y201 M202 C203V195-N199 WeakPolarHBondContact O-CB 3.3Å; V195-N199 PolarHBondContact O-N 2.84Å; V195-N199 PolarHBondContact O-OD1 3.15Å; T196-N199 PolarHBondContact O-N 3.01Å; N199-Y201 PolarHBondContact O-N 2.92Å; N199-M202 PolarHBondContact O-N 3.44Å; N199-C203 WeakPolarHBondContact O-CB 3.47Å; N199-C203 PolarHBondContact O-N 2.9Å; N199-C203 PolarHBondContact O-SG 3.23Å
200G74.8Confident72.6Confident34 Ų3493 Ų9335%0.35149%0.485SS..Hα-helixtrans-59.2-45.1173.200000112.9T196 Q197 M198 C203 I204T196-G200 PolarHBondContact O-N 3.36Å; Q197-G200 PolarHBondContact O-N 2.84Å; M198-G200 VanDerWaalsContact C-N 3.32Å; M198-G200 PolarHBondContact O-N 3.36Å; G200-C203 PolarHBondContact O-N 2.65Å; G200-I204 WeakPolarHBondContact O-CD1 3.09Å; G200-I204 VanDerWaalsContact O-CG1 3.26Å; G200-I204 WeakPolarHBondContact O-CG1 3.4Å; G200-I204 PolarHBondContact O-N 3.25Å; G200-I204 VanDerWaalsContact O-N 3.09Å
201Y68.6Low72.7Confident139 Ų13989.7 Ų89.755%0.54548%0.476SS..Hα-helixtrans-65.5-41.3177-78.4-62.7000113Q197 M198 N199 I204 I205Q197-Y201 HydrophobicContact CG-CD2 3.99Å; Q197-Y201 HydrophobicContact CG-CE2 3.61Å; Q197-Y201 WeakPolarHBondContact O-CD2 3.1Å; Q197-Y201 PolarHBondContact O-N 2.93Å; M198-Y201 PolarHBondContact O-N 3.41Å; N199-Y201 PolarHBondContact O-N 2.92Å; Y201-I204 PolarHBondContact O-N 3.36Å; Y201-I205 VanDerWaalsContact O-CG1 3.3Å; Y201-I205 WeakPolarHBondContact O-CG1 3.41Å; Y201-I205 PolarHBondContact O-N 2.94Å
202M68.7Low72.8Confident85 Ų8586.6 Ų86.642%0.41947%0.474SS..Hα-helixtrans-64.7-43176.8-76.5-61.7-166.700111.7Y175 M198 N199 I204 I205 V206Y175-M202 HydrophobicContact CE1-CE 4.31Å; Y175-M202 VanDerWaalsContact OH-CE 3.27Å; Y175-M202 WeakPolarHBondContact OH-CE 3.29Å; M198-M202 PolarHBondContact O-N 3.36Å; N199-M202 PolarHBondContact O-N 3.44Å; M202-I204 VanDerWaalsContact C-N 3.3Å; M202-I204 PolarHBondContact O-N 2.9Å; M202-I205 PolarHBondContact O-N 3.39Å; M202-V206 WeakPolarHBondContact O-CB 3.36Å; M202-V206 VanDerWaalsContact O-CG2 3.31Å; M202-V206 WeakPolarHBondContact O-CG2 3.35Å; M202-V206 PolarHBondContact O-N 2.95Å
203C69.4Low73Confident88 Ų8887.1 Ų87.160%0.59547%0.474SS*.Hα-helixtrans-59.2-41.4174.4-70.80000112.1N199 G200 F207N199-C203 WeakPolarHBondContact O-CB 3.47Å; N199-C203 PolarHBondContact O-N 2.9Å; N199-C203 PolarHBondContact O-SG 3.23Å; G200-C203 PolarHBondContact O-N 2.65Å; C203-F207 VanDerWaalsContact O-CB 3.28Å; C203-F207 WeakPolarHBondContact O-CB 3.16Å; C203-F207 PolarHBondContact O-N 2.95Å
204I71.4Confident73.2Confident91 Ų9187.9 Ų87.947%0.46748%0.475SS..Hα-helixtrans-65-45.2176.6-68.2165.7000110.8G200 Y201 M202 F207 F208G200-I204 WeakPolarHBondContact O-CD1 3.09Å; G200-I204 VanDerWaalsContact O-CG1 3.26Å; G200-I204 WeakPolarHBondContact O-CG1 3.4Å; G200-I204 PolarHBondContact O-N 3.25Å; G200-I204 VanDerWaalsContact O-N 3.09Å; Y201-I204 PolarHBondContact O-N 3.36Å; M202-I204 VanDerWaalsContact C-N 3.3Å; M202-I204 PolarHBondContact O-N 2.9Å; I204-F207 PolarHBondContact O-N 3.49Å; I204-F208 HydrophobicContact CG2-CD2 3.7Å; I204-F208 HydrophobicContact CG2-CE2 3.78Å; I204-F208 VanDerWaalsContact O-CD2 3.3Å; I204-F208 WeakPolarHBondContact O-CD2 3.29Å; I204-F208 PolarHBondContact O-N 3.32Å
205I73.2Confident73.6Confident95 Ų9589.2 Ų89.249%0.48749%0.485SS..Hα-helixtrans-62.3-47.1179.1-69.1166.8000110.6Y201 M202 F207 F208 C209Y201-I205 VanDerWaalsContact O-CG1 3.3Å; Y201-I205 WeakPolarHBondContact O-CG1 3.41Å; Y201-I205 PolarHBondContact O-N 2.94Å; M202-I205 PolarHBondContact O-N 3.39Å; I205-F207 VanDerWaalsContact C-N 3.34Å; I205-F207 PolarHBondContact O-N 3.47Å; I205-F208 PolarHBondContact O-N 2.76Å; I205-C209 PolarHBondContact O-N 3.41Å; I205-C209 PolarHBondContact O-SG 2.95Å; I205-C209 VanDerWaalsContact O-SG 3.35Å
206V74.1Confident73.9Confident87 Ų8792.2 Ų92.253%0.52750%0.499SS..Hα-helixtrans-60.8-44.4177.6172.90000110.7M202 F208 C209 V210M202-V206 WeakPolarHBondContact O-CB 3.36Å; M202-V206 VanDerWaalsContact O-CG2 3.31Å; M202-V206 WeakPolarHBondContact O-CG2 3.35Å; M202-V206 PolarHBondContact O-N 2.95Å; V206-F208 PolarHBondContact O-N 2.87Å; V206-C209 PolarHBondContact O-N 2.94Å; V206-V210 HydrophobicContact CG1-CG2 4.34Å; V206-V210 WeakPolarHBondContact O-CG2 3.47Å; V206-V210 PolarHBondContact O-N 3.3Å
207F75.6Confident74Confident146 Ų14692.7 Ų92.764%0.6450%0.498SS*.Hα-helixtrans-58.6-45.3175.9-179.8-95000112.1C203 I204 I205 V210 A211C203-F207 VanDerWaalsContact O-CB 3.28Å; C203-F207 WeakPolarHBondContact O-CB 3.16Å; C203-F207 PolarHBondContact O-N 2.95Å; I204-F207 PolarHBondContact O-N 3.49Å; I205-F207 VanDerWaalsContact C-N 3.34Å; I205-F207 PolarHBondContact O-N 3.47Å; F207-V210 PolarHBondContact O-N 2.8Å; F207-A211 WeakPolarHBondContact O-CB 3.19Å; F207-A211 PolarHBondContact O-N 3.01Å
208F74.6Confident74.2Confident139 Ų13995.3 Ų95.361%0.6150%0.504SS*.Hα-helixtrans-64.5-39.8176.2-90.6-74.5000112.7I204 I205 V206 A212I204-F208 HydrophobicContact CG2-CD2 3.7Å; I204-F208 HydrophobicContact CG2-CE2 3.78Å; I204-F208 VanDerWaalsContact O-CD2 3.3Å; I204-F208 WeakPolarHBondContact O-CD2 3.29Å; I204-F208 PolarHBondContact O-N 3.32Å; I205-F208 PolarHBondContact O-N 2.76Å; V206-F208 PolarHBondContact O-N 2.87Å; F208-A212 VanDerWaalsContact O-CB 3.22Å; F208-A212 WeakPolarHBondContact O-CB 3.48Å; F208-A212 PolarHBondContact O-N 3.07Å
209C76.6Confident74.4Confident75 Ų7598.7 Ų98.751%0.50751%0.513SS..Hα-helixtrans-64.1-43.7176.1-72.60000111.8I205 V206 A212 S213I205-C209 PolarHBondContact O-N 3.41Å; I205-C209 PolarHBondContact O-SG 2.95Å; I205-C209 VanDerWaalsContact O-SG 3.35Å; V206-C209 PolarHBondContact O-N 2.94Å; C209-A212 PolarHBondContact O-N 3.23Å; C209-S213 PolarHBondContact O-N 3.19Å; C209-S213 PolarHBondContact O-OG 3.16Å; C209-S213 VanDerWaalsContact O-OG 3.04Å
210V77.6Confident74.1Confident72 Ų7298.1 Ų98.144%0.43652%0.518SS..Hα-helixtrans-64.6-48177.1172.60000110.6V206 F207 A212 S213 F214V206-V210 HydrophobicContact CG1-CG2 4.34Å; V206-V210 WeakPolarHBondContact O-CG2 3.47Å; V206-V210 PolarHBondContact O-N 3.3Å; F207-V210 PolarHBondContact O-N 2.8Å; V210-A212 VanDerWaalsContact C-N 3.34Å; V210-A212 PolarHBondContact O-N 2.83Å; V210-S213 PolarHBondContact O-N 3.37Å; V210-F214 HydrophobicContact CG1-CD2 3.71Å; V210-F214 HydrophobicContact CG1-CE2 3.56Å; V210-F214 VanDerWaalsContact O-CD2 3.26Å; V210-F214 WeakPolarHBondContact O-CD2 3.24Å; V210-F214 PolarHBondContact O-N 2.75Å
211A74.8Confident73.9Confident35 Ų35102.9 Ų102.929%0.28953%0.531SS..Hα-helixtrans-61-40.9177.400000112.4F207 F214 L215F207-A211 WeakPolarHBondContact O-CB 3.19Å; F207-A211 PolarHBondContact O-N 3.01Å; A211-F214 PolarHBondContact O-N 3.35Å; A211-L215 WeakPolarHBondContact O-CG 3.37Å; A211-L215 PolarHBondContact O-N 3.22Å
212A75.6Confident73.8Confident46 Ų4698.2 Ų98.238%0.3852%0.517SS..Hα-helixtrans-63.6-41.5175.400000112F208 C209 V210 L215 L216F208-A212 VanDerWaalsContact O-CB 3.22Å; F208-A212 WeakPolarHBondContact O-CB 3.48Å; F208-A212 PolarHBondContact O-N 3.07Å; C209-A212 PolarHBondContact O-N 3.23Å; V210-A212 VanDerWaalsContact C-N 3.34Å; V210-A212 PolarHBondContact O-N 2.83Å; A212-L215 PolarHBondContact O-N 3.45Å; A212-L216 WeakPolarHBondContact O-CB 3.45Å; A212-L216 VanDerWaalsContact O-CG 3.26Å; A212-L216 WeakPolarHBondContact O-CG 3.4Å; A212-L216 PolarHBondContact O-N 2.93Å
213S76.8Confident73.5Confident66 Ų66101 Ų10146%0.46252%0.523SS..Hα-helixtrans-63.1-41.6175.4-64.70000112.4C209 V210 L216 N217C209-S213 PolarHBondContact O-N 3.19Å; C209-S213 PolarHBondContact O-OG 3.16Å; C209-S213 VanDerWaalsContact O-OG 3.04Å; V210-S213 PolarHBondContact O-N 3.37Å; S213-L216 PolarHBondContact O-N 2.73Å; S213-N217 WeakPolarHBondContact O-CB 3.2Å; S213-N217 PolarHBondContact O-N 2.76Å
214F77.8Confident73.1Confident145 Ų14599.3 Ų99.364%0.63652%0.515SS*.Hα-helixtrans-63.4-44.7174.2-84.8-71.5000112.1V210 A211 N217 Y218V210-F214 HydrophobicContact CG1-CD2 3.71Å; V210-F214 HydrophobicContact CG1-CE2 3.56Å; V210-F214 VanDerWaalsContact O-CD2 3.26Å; V210-F214 WeakPolarHBondContact O-CD2 3.24Å; V210-F214 PolarHBondContact O-N 2.75Å; A211-F214 PolarHBondContact O-N 3.35Å; F214-N217 PolarHBondContact O-N 3.38Å; F214-Y218 WeakPolarHBondContact O-CB 3.1Å; F214-Y218 PolarHBondContact O-N 2.92Å
215L78.3Confident72.6Confident122 Ų122100.9 Ų100.964%0.63952%0.52SS*.Hα-helixtrans-64.5-40.4177.4-72.5171.2000112A211 A212 Y218 W219A211-L215 WeakPolarHBondContact O-CG 3.37Å; A211-L215 PolarHBondContact O-N 3.22Å; A212-L215 PolarHBondContact O-N 3.45Å; L215-Y218 PolarHBondContact O-N 3.12Å; L215-W219 VanDerWaalsContact O-CB 3.29Å; L215-W219 WeakPolarHBondContact O-CB 3.42Å; L215-W219 PolarHBondContact O-N 2.92Å
216L76.8Confident71.6Confident122 Ų122102.2 Ų102.264%0.63953%0.529SS*.Hα-helixtrans-65.5-42176.2-74.4170000111.8A212 S213 W219 A220A212-L216 WeakPolarHBondContact O-CB 3.45Å; A212-L216 VanDerWaalsContact O-CG 3.26Å; A212-L216 WeakPolarHBondContact O-CG 3.4Å; A212-L216 PolarHBondContact O-N 2.93Å; S213-L216 PolarHBondContact O-N 2.73Å; L216-W219 PolarHBondContact O-N 3.4Å; L216-A220 WeakPolarHBondContact O-CB 3.43Å; L216-A220 PolarHBondContact O-N 2.9Å
217N75.4Confident70.6Confident108 Ų108104.3 Ų104.358%0.57853%0.532SS*.Hα-helixtrans-65.1-44.5175.3-86.7-24.9000112.2S213 F214 W219 A220 H221S213-N217 WeakPolarHBondContact O-CB 3.2Å; S213-N217 PolarHBondContact O-N 2.76Å; F214-N217 PolarHBondContact O-N 3.38Å; N217-W219 VanDerWaalsContact C-N 3.31Å; N217-W219 PolarHBondContact O-N 3.29Å; N217-A220 PolarHBondContact O-N 3.06Å; N217-H221 PolarHBondContact O-N 3.41Å
218Y73.7Confident69.2Low162 Ų162104.5 Ų104.564%0.63554%0.537SS*.Hα-helixtrans-60-42.3175.6179.6-97.5000111.9F214 L215 H221 T222F214-Y218 WeakPolarHBondContact O-CB 3.1Å; F214-Y218 PolarHBondContact O-N 2.92Å; L215-Y218 PolarHBondContact O-N 3.12Å; Y218-H221 PolarHBondContact O-N 2.76Å; Y218-T222 HydrophobicContact CE1-CG2 4.07Å; Y218-T222 HydrophobicContact CE2-CG2 4.38Å; Y218-T222 PolarHBondContact O-N 2.89Å; Y218-T222 VanDerWaalsContact O-N 3.08Å; Y218-T222 PolarHBondContact O-OG1 3.33Å
219W70.2Confident68.1Low145 Ų145103.3 Ų103.355%0.54954%0.541SS..Hα-helixtrans-72-31.3179.2-148.877.1000113.1L215 L216 N217 T222 R223L215-W219 VanDerWaalsContact O-CB 3.29Å; L215-W219 WeakPolarHBondContact O-CB 3.42Å; L215-W219 PolarHBondContact O-N 2.92Å; L216-W219 PolarHBondContact O-N 3.4Å; N217-W219 VanDerWaalsContact C-N 3.31Å; N217-W219 PolarHBondContact O-N 3.29Å; W219-T222 WeakPolarHBondContact CA-OG1 3.42Å; W219-T222 PolarHBondContact O-OG1 3.47Å; W219-R223 VanDerWaalsContact CH2-NE 3.35Å; W219-R223 VanDerWaalsContact CZ3-NE 3.33Å; W219-R223 PolarHBondContact O-N 2.89Å
220A72.3Confident67Low59 Ų59103.7 Ų103.749%0.48855%0.545SS..Hα-helixtrans-68.4-40.9172.600000111.8L216 N217 A224L216-A220 WeakPolarHBondContact O-CB 3.43Å; L216-A220 PolarHBondContact O-N 2.9Å; N217-A220 PolarHBondContact O-N 3.06Å; A220-A224 PolarHBondContact O-N 3.25Å
221H70.5Confident65.6Low133 Ų133106.8 Ų106.862%0.61656%0.558SS**Hα-helixtrans-66.4-47.4178.3-114.1-77.8000112.6N217 Y218 R223 A224 E225N217-H221 PolarHBondContact O-N 3.41Å; Y218-H221 PolarHBondContact O-N 2.76Å; H221-R223 VanDerWaalsContact C-N 3.28Å; H221-R223 PolarHBondContact O-N 3.44Å; H221-A224 WeakPolarHBondContact O-CB 3.49Å; H221-A224 PolarHBondContact O-N 3.45Å; H221-E225 PolarHBondContact O-N 2.99Å
222T66.3Low64.5Low42 Ų42109.4 Ų109.426%0.25858%0.58SS.*Hα-helixtrans-61.6-34.417944.70000112.7Y218 W219 D226Y218-T222 HydrophobicContact CE1-CG2 4.07Å; Y218-T222 HydrophobicContact CE2-CG2 4.38Å; Y218-T222 PolarHBondContact O-N 2.89Å; Y218-T222 VanDerWaalsContact O-N 3.08Å; Y218-T222 PolarHBondContact O-OG1 3.33Å; W219-T222 WeakPolarHBondContact CA-OG1 3.42Å; W219-T222 PolarHBondContact O-OG1 3.47Å; T222-D226 PolarHBondContact O-N 3.44Å
223R62.2Low63.2Low143 Ų143110.2 Ų110.254%0.5459%0.592SS.*Hα-helixtrans-70.5-29.4172.7-88.9-171.9165.2-172.4-2.3114.3W219 H221 Q227W219-R223 VanDerWaalsContact CH2-NE 3.35Å; W219-R223 VanDerWaalsContact CZ3-NE 3.33Å; W219-R223 PolarHBondContact O-N 2.89Å; H221-R223 VanDerWaalsContact C-N 3.28Å; H221-R223 PolarHBondContact O-N 3.44Å; R223-Q227 WeakPolarHBondContact O-CG 3.39Å; R223-Q227 PolarHBondContact O-N 3.27Å
224A60.5Low61.7Low52 Ų52117.5 Ų117.543%0.4361%0.61SS.*Hα-helixtrans-71.1-37.2177.300000111.2A220 H221 Q227 M228A220-A224 PolarHBondContact O-N 3.25Å; H221-A224 WeakPolarHBondContact O-CB 3.49Å; H221-A224 PolarHBondContact O-N 3.45Å; A224-Q227 PolarHBondContact O-N 3.23Å; A224-M228 PolarHBondContact O-N 3.06Å
225E60.7Low59.9Low125 Ų125118.4 Ų118.458%0.58462%0.621SS**Hα-helixtrans-66.9-44.5175-71.6-178.6166.900112.2H221 Q227 M228 V229H221-E225 PolarHBondContact O-N 2.99Å; E225-Q227 PolarHBondContact O-N 2.99Å; E225-M228 PolarHBondContact O-N 3.22Å; E225-M228 VanDerWaalsContact O-N 3.17Å; E225-V229 WeakPolarHBondContact O-CG2 3.21Å; E225-V229 PolarHBondContact O-N 3.45Å
226D52.7Low57.9Low123 Ų123118.9 Ų118.966%0.65863%0.633SS**Hα-helixtrans-60.1-32.3175.2-83.5-16.9000112.5T222 S230T222-D226 PolarHBondContact O-N 3.44Å; D226-S230 PolarHBondContact O-N 3.38Å
227Q52.7Low55.9Low130 Ų130116.2 Ų116.261%0.60764%0.635SS**Hα-helixtrans-76.9-37.3176.2-74.3-174.53.900112.8R223 A224 E225 S230 L231R223-Q227 WeakPolarHBondContact O-CG 3.39Å; R223-Q227 PolarHBondContact O-N 3.27Å; A224-Q227 PolarHBondContact O-N 3.23Å; E225-Q227 PolarHBondContact O-N 2.99Å; Q227-S230 PolarHBondContact O-N 3.16Å; Q227-S230 PolarHBondContact O-OG 3.48Å; Q227-L231 PolarHBondContact O-N 3.24Å
228M46.2Very low54Low150 Ų150117.1 Ų117.174%0.73965%0.649SS**Hα-helixtrans-68.5-38.3175.8-82.7-157.2163.500112.7A224 E225 S230 L231 A232A224-M228 PolarHBondContact O-N 3.06Å; E225-M228 PolarHBondContact O-N 3.22Å; E225-M228 VanDerWaalsContact O-N 3.17Å; M228-S230 VanDerWaalsContact C-N 3.26Å; M228-S230 PolarHBondContact O-N 2.99Å; M228-L231 PolarHBondContact O-N 3.43Å; M228-A232 PolarHBondContact O-N 2.86Å; M228-A232 VanDerWaalsContact O-N 3.13Å
229V53Low52.4Low114 Ų114117.7 Ų117.769%0.69166%0.662SS**Hα-helixtrans-65.7-30.4175.1176.60000111.5E225E225-V229 WeakPolarHBondContact O-CG2 3.21Å; E225-V229 PolarHBondContact O-N 3.45Å
230S51.9Low50.8Low84 Ų84116.4 Ų116.459%0.58767%0.672SS**Hα-helixtrans-76.7-23.117686.20000114.5D226 Q227 M228D226-S230 PolarHBondContact O-N 3.38Å; Q227-S230 PolarHBondContact O-N 3.16Å; Q227-S230 PolarHBondContact O-OG 3.48Å; M228-S230 VanDerWaalsContact C-N 3.26Å; M228-S230 PolarHBondContact O-N 2.99Å
231L49.9Very low49Very low136 Ų136122 Ų12271%0.71269%0.688SS**Hα-helixtrans-92.3-23.6-178.8-82.2159.7000113.1Q227 M228 G233Q227-L231 PolarHBondContact O-N 3.24Å; M228-L231 PolarHBondContact O-N 3.43Å; L231-G233 PolarHBondContact O-N 2.85Å
232A51.5Low47.3Very low90 Ų90123.4 Ų123.474%0.74470%0.7SS**THydrogen-bonded Turntrans-73.3-9.4175.600000114.1M228 R234M228-A232 PolarHBondContact O-N 2.86Å; M228-A232 VanDerWaalsContact O-N 3.13Å; A232-R234 PolarHBondContact O-N 2.75Å
233G47.3Very low45.7Very low63 Ų63126.2 Ų126.265%0.64973%0.728SS**THydrogen-bonded Turntrans-87.815-177.400000116.7L231L231-G233 PolarHBondContact O-N 2.85Å
234R45.9Very low44.2Very low220 Ų220128.6 Ų128.683%0.8375%0.745SS**SBendtrans-124.991.4179.4-73.7-172.5-175.7-175.52.3112.9A232A232-R234 PolarHBondContact O-N 2.75Å
235N38.9Very low42.9Very low163 Ų163132.3 Ų132.387%0.87276%0.762SS**  trans24103.9146.5-67.7-12.4000118.7
236C38.2Very low41.4Very low132 Ų132130.6 Ų130.689%0.89277%0.769SS**  trans-124.9113.7144.4-61.70000107.1
237G34.7Very low40.4Very low66 Ų66132.5 Ų132.568%0.6878%0.778SS**  trans-79.6159.5176.800000112.6
238C34.7Very low39.4Very low128 Ų128131.8 Ų131.887%0.86579%0.787SS**  trans78.8105.3159.2-46.20000116.5
239L40Very low38.6Very low173 Ų173130.6 Ų130.691%0.90679%0.788SS**  -164.8144.8124.3-96.1166.3000109.2
240P37.3Very low37.8Very low118 Ų118134.4 Ų134.477%0.76680%0.798SS**  trans-92.3161.8-165.134.3-27.6000114.2
241E33.7Very low36.9Very low178 Ų178138.1 Ų138.183%0.83281%0.811SS**  trans-51.4140.3174.6-65.1168.4134.900112.9
242D34.4Very low36.5Very low161 Ų161135.3 Ų135.386%0.86182%0.816SS**  trans144.695.2138.3-71.4-22.3000112.4
243A33.6Very low35.7Very low101 Ų101137.1 Ų137.184%0.83582%0.823SS**  trans-16694148.800000110.2
244Q29.7Very low35.6Very low193 Ų193137.7 Ų137.790%0.90283%0.828SS**  trans-76.1132.9161.9-67.8-179.9-0.500109.4
245V32.8Very low35.2Very low131 Ų131133.8 Ų133.879%0.79483%0.829SS**  trans-137.6111.8151.8-179.70000108.2I247V245-I247 HydrophobicContact CG1-CD1 4.21Å
246A29.2Very low35.4Very low89 Ų89131.4 Ų131.474%0.73682%0.822SS**  trans-76146.5167.300000110.2
247I32.2Very low35.3Very low162 Ų162134 Ų13483%0.83182%0.821SS**  trans-149.4139.2146.8-83.8125.1000108.9V245V245-I247 HydrophobicContact CG1-CD1 4.21Å
248S32.7Very low35.2Very low115 Ų115138.5 Ų138.580%0.80483%0.828SS**  trans-62.7156.2-163.9-59.20000118.7
249V28.6Very low35Very low125 Ų125137.7 Ų137.776%0.75882%0.821SS**  trans-81.4132.4162.8176.40000109.5
250E37Very low34.5Very low195 Ų195134.8 Ų134.891%0.91182%0.815SS**  trans-108.7128.2156.6-86.2-166.9162.300110.4
251N32.8Very low34.1Very low161 Ų161136.1 Ų136.186%0.86181%0.814SS**  trans-74.3128.3177.4-71.9-45.7000110.5
252G40.8Very low33.9Very low78 Ų78138.6 Ų138.680%0.80482%0.816SS**  trans-13294.8169.300000110.6
253S34.5Very low33.7Very low128 Ų128135.1 Ų135.190%0.89580%0.8SS**  trans-63.4139.2177.2530000113.8
254G45.3Very low33.6Very low74 Ų74137.2 Ų137.276%0.76380%0.798SS**  trans170.485.4164.900000114.5
255V37.8Very low33.9Very low138 Ų138135.5 Ų135.584%0.83679%0.788SS**  trans-83139.6168.6177.40000109.4
256P43.7Very low33.9Very low114 Ų114135.4 Ų135.474%0.7479%0.788SS**  trans-133141.913629.3-12.8000114.3
257H35.5Very low34.3Very low185 Ų185138.9 Ų138.986%0.85679%0.789SS**  trans-40.8140.2175.1-76.3-83.4000117.2
258I32.7Very low34.5Very low162 Ų162137 Ų13783%0.83179%0.787SS**  trans-138.3139.6157.9-63.5-174.3000108.4
259P31.5Very low34.7Very low110 Ų110137.1 Ų137.171%0.71479%0.786SS**  trans-84.7152.9-150.433.3-33.8000114.2I261P259-I261 PolarHBondContact O-N 3.25Å
260S28.2Very low35.1Very low113 Ų113133 Ų13379%0.7977%0.766SS**  trans-67.4120.5173.474.80000110.9
261I30.4Very low35.2Very low146 Ų146128 Ų12875%0.74975%0.75SS**  trans-98111163.8-60.9175.8000106.8P259 V263P259-I261 PolarHBondContact O-N 3.25Å; I261-V263 HydrophobicContact CG2-CG2 3.89Å
262R27.7Very low35.5Very low229 Ų229125.8 Ų125.886%0.86474%0.742SS**  trans-78.7126164.2-83.2-174.2178.5-178.3-0.3108.2
263V31.1Very low35.2Very low88 Ų88128.4 Ų128.453%0.53374%0.737SS.*  trans-116.5108.4166-173.40000107.2I261 F265I261-V263 HydrophobicContact CG2-CG2 3.89Å; V263-F265 HydrophobicContact CB-CE2 3.94Å; V263-F265 HydrophobicContact CB-CZ 4.17Å; V263-F265 HydrophobicContact CG1-CD1 4.37Å; V263-F265 HydrophobicContact CG1-CD2 4.15Å; V263-F265 HydrophobicContact CG1-CE1 3.84Å; V263-F265 HydrophobicContact CG1-CE2 3.6Å; V263-F265 HydrophobicContact CG1-CZ 3.42Å; V263-F265 VanDerWaalsContact CG1-CZ 3.42Å
264D30.4Very low35.2Very low146 Ų146124.5 Ų124.578%0.78171%0.712SS**  trans-77.4121.9169.5-84.9-40.1000108.9
265F38Very low34.9Very low157 Ų157127.8 Ų127.869%0.68971%0.711SS**  trans-103.796.9173-68.3-76.8000109.8V263 E267 A270V263-F265 HydrophobicContact CB-CE2 3.94Å; V263-F265 HydrophobicContact CB-CZ 4.17Å; V263-F265 HydrophobicContact CG1-CD1 4.37Å; V263-F265 HydrophobicContact CG1-CD2 4.15Å; V263-F265 HydrophobicContact CG1-CE1 3.84Å; V263-F265 HydrophobicContact CG1-CE2 3.6Å; V263-F265 HydrophobicContact CG1-CZ 3.42Å; V263-F265 VanDerWaalsContact CG1-CZ 3.42Å; F265-E267 PolarHBondContact O-N 3.34Å; F265-A270 HydrophobicContact CD1-CB 4.46Å
266T31.9Very low34.8Very low129 Ų129130.3 Ų130.379%0.79171%0.712SS**  trans-92.16317052.10000110.3
267E37.3Very low34.6Very low162 Ų162132.5 Ų132.576%0.75771%0.714SS**SBendtrans-168.6140.4164.4-110.6169.7-142.200113F265 C269F265-E267 PolarHBondContact O-N 3.34Å; E267-C269 VanDerWaalsContact C-N 3.31Å; E267-C269 PolarHBondContact O-N 3.27Å
268P36.2Very low34.7Very low122 Ų122130.1 Ų130.179%0.79271%0.707SS**THydrogen-bonded Turntrans-83.818.1-157.633.6-35.3000116.1
269C36.8Very low34.6Very low117 Ų117125.6 Ų125.679%0.79170%0.7SS**THydrogen-bonded Turntrans-120.9-1.2-172.7-63.10000115E267 P271E267-C269 VanDerWaalsContact C-N 3.31Å; E267-C269 PolarHBondContact O-N 3.27Å; C269-P271 VanDerWaalsContact C-CD 3.46Å
270A37.2Very low34.9Very low40 Ų40127 Ų12733%0.33171%0.707SS.*  trans-84.6-15.6-172.100000119.3F265 V272F265-A270 HydrophobicContact CD1-CB 4.46Å; A270-V272 VanDerWaalsContact C-N 3.34Å; A270-V272 PolarHBondContact O-N 2.9Å
271P40.1Very low35.4Very low89 Ų89130.2 Ų130.258%0.57871%0.709SS**Hα-helixtrans-69.7-25.2-171.5-14.424.1000115.1C269C269-P271 VanDerWaalsContact C-CD 3.46Å
272V38.6Very low35.7Very low115 Ų115130.4 Ų130.470%0.69771%0.707SS**Hα-helixtrans-82.1-26.2-172.5-1770000112.2A270A270-V272 VanDerWaalsContact C-N 3.34Å; A270-V272 PolarHBondContact O-N 2.9Å
273L34.4Very low36.2Very low133 Ų133126.6 Ų126.670%0.69670%0.704SS**Hα-helixtrans-85.4-31.1178.2-132.685.5000112.2F276 M277L273-F276 PolarHBondContact O-N 3.49Å; L273-M277 WeakPolarHBondContact O-CG 3.26Å; L273-M277 PolarHBondContact O-N 3.27Å
274A34.7Very low36.5Very low46 Ų46130 Ų13038%0.3871%0.711SS.*Hα-helixtrans-70.3-33.9177.700000112.5F276 M277 L278A274-F276 VanDerWaalsContact C-N 3.28Å; A274-F276 PolarHBondContact O-N 2.81Å; A274-M277 PolarHBondContact O-N 3.49Å; A274-L278 WeakPolarHBondContact O-CG 2.98Å; A274-L278 PolarHBondContact O-N 3.07Å; A274-L278 VanDerWaalsContact O-N 3.13Å
275L39.3Very low36.9Very low142 Ų142130.1 Ų130.174%0.74371%0.712SS**Hα-helixtrans-72-18.3173.9-86.2160.4000113.8
276F35Very low36.8Very low192 Ų192133 Ų13384%0.84272%0.72SS**Hα-helixtrans-93.1-18177.9-130.1-88.8000113L273 A274L273-F276 PolarHBondContact O-N 3.49Å; A274-F276 VanDerWaalsContact C-N 3.28Å; A274-F276 PolarHBondContact O-N 2.81Å
277M39.1Very low37Very low160 Ų160131.5 Ų131.579%0.78872%0.715SS**Hα-helixtrans-105.6-19.6-175.8-72.6-87-69.800113.3L273 A274 G279L273-M277 WeakPolarHBondContact O-CG 3.26Å; L273-M277 PolarHBondContact O-N 3.27Å; A274-M277 PolarHBondContact O-N 3.49Å; M277-G279 PolarHBondContact O-N 2.74Å; M277-G279 VanDerWaalsContact O-N 3.16Å
278L38.4Very low36.8Very low134 Ų134130 Ų13070%0.70272%0.72SS**SBendtrans-83.986168.5-68.4171.3000108.3A274 V280A274-L278 WeakPolarHBondContact O-CG 2.98Å; A274-L278 PolarHBondContact O-N 3.07Å; A274-L278 VanDerWaalsContact O-N 3.13Å; L278-V280 PolarHBondContact O-N 3.39Å; L278-V280 VanDerWaalsContact O-N 3.08Å
279G31.1Very low36.8Very low68 Ų68135 Ų13570%0.70172%0.724SS**  trans-49.7114.7169.300000109.9M277 E281M277-G279 PolarHBondContact O-N 2.74Å; M277-G279 VanDerWaalsContact O-N 3.16Å; G279-E281 VanDerWaalsContact C-N 3.26Å; G279-E281 PolarHBondContact O-N 2.93Å
280V37.1Very low37Very low140 Ų140137.4 Ų137.485%0.84873%0.728SS**  trans-67.195.2165.6178.10000105.6L278 E282L278-V280 PolarHBondContact O-N 3.39Å; L278-V280 VanDerWaalsContact O-N 3.08Å; V280-E282 PolarHBondContact O-N 2.69Å
281E39.2Very low37.2Very low179 Ų179139.5 Ų139.584%0.83675%0.745SS**  trans-52.6126.4161.4-81.5-177.8149.800107.9G279 N283G279-E281 VanDerWaalsContact C-N 3.26Å; G279-E281 PolarHBondContact O-N 2.93Å; E281-N283 VanDerWaalsContact C-N 3.33Å; E281-N283 PolarHBondContact O-N 3.24Å
282E36.9Very low37.3Very low151 Ų151140.9 Ų140.971%0.70675%0.754SS**  trans-57.792.1173-72.8-175.3158.300110V280 K284V280-E282 PolarHBondContact O-N 2.69Å; E282-K284 VanDerWaalsContact C-N 3.28Å; E282-K284 PolarHBondContact O-N 2.99Å; E282-K284 VanDerWaalsContact O-N 3.09Å; E282-K284 WeakPolarHBondContact OE2-CE 3.46Å; E282-K284 IonicContact OE2-NZ 3.91Å; E282-K284 PolarHBondContact OE2-NZ 3.03Å; E282-K284 VanDerWaalsContact OE2-NZ 3.08Å
283N37.2Very low37.6Very low149 Ų149142.3 Ų142.380%0.79776%0.758SS**  trans-79.687.2160.5-117.7-22.2000108.1E281 D285E281-N283 VanDerWaalsContact C-N 3.33Å; E281-N283 PolarHBondContact O-N 3.24Å; N283-D285 VanDerWaalsContact C-N 3.28Å; N283-D285 PolarHBondContact O-N 3.48Å
284K37Very low38.5Very low159 Ų159144.4 Ų144.469%0.69177%0.769SS**  trans-66.386.6165.5-70172-179.9157.30107.9E282E282-K284 VanDerWaalsContact C-N 3.28Å; E282-K284 PolarHBondContact O-N 2.99Å; E282-K284 VanDerWaalsContact O-N 3.09Å; E282-K284 WeakPolarHBondContact OE2-CE 3.46Å; E282-K284 IonicContact OE2-NZ 3.91Å; E282-K284 PolarHBondContact OE2-NZ 3.03Å; E282-K284 VanDerWaalsContact OE2-NZ 3.08Å
285D39Very low39.5Very low148 Ų148150.7 Ų150.779%0.79179%0.791SS**  trans175.960.7157.4-89-21.5000112.1N283N283-D285 VanDerWaalsContact C-N 3.28Å; N283-D285 PolarHBondContact O-N 3.48Å
286Y37.1Very low40.4Very low218 Ų218152.9 Ų152.986%0.85580%0.798SS**  trans-130.277.2161.4-84.4-82.2000109.9C288Y286-C288 PolarHBondContact O-N 3.23Å
287S34.7Very low41.8Very low98 Ų98148.4 Ų148.469%0.68579%0.786SS**  trans-71.3110.6156.873.30000107.7R289S287-R289 PolarHBondContact O-N 3.01Å
288C33.9Very low43.7Very low130 Ų130149.9 Ų149.988%0.87878%0.783SS**  trans-63.588.7161.8-85.10000108.6Y286 L290Y286-C288 PolarHBondContact O-N 3.23Å; C288-L290 PolarHBondContact O-N 3.4Å
289R36.2Very low45.2Very low227 Ų227148.8 Ų148.886%0.85778%0.781SS**  trans-66.5109.5153.7-75.4-175.4-174.9-176.61.5106S287 A291S287-R289 PolarHBondContact O-N 3.01Å; R289-A291 PolarHBondContact O-N 2.89Å
290L41.3Very low47.3Very low168 Ų168149.1 Ų149.188%0.8877%0.773SS**  trans-50110.5160.5-76157.5000107.2C288C288-L290 PolarHBondContact O-N 3.4Å
291A41.8Very low49.1Very low84 Ų84147.4 Ų147.469%0.69476%0.756SS**  trans-62.8125.616800000107.2R289 N293R289-A291 PolarHBondContact O-N 2.89Å; A291-N293 VanDerWaalsContact C-N 3.31Å; A291-N293 PolarHBondContact O-N 3.02Å; A291-N293 VanDerWaalsContact O-N 3.11Å
292P40.8Very low50.7Low117 Ų117147.8 Ų147.876%0.7675%0.749SS**SBendtrans-81.288.7169.531.9-24.5000105.3
293N46.5Very low52.7Low146 Ų146147 Ų14778%0.78175%0.746SS**SBendtrans-176.6133.4158.2-85.2-26.2000109.1A291 E295A291-N293 VanDerWaalsContact C-N 3.31Å; A291-N293 PolarHBondContact O-N 3.02Å; A291-N293 VanDerWaalsContact O-N 3.11Å; N293-E295 PolarHBondContact O-N 3.37Å
294D51.7Low54.4Low176 Ų176145.8 Ų145.894%0.94174%0.735SS**  trans-63.464.1-179.4-68.5-47.9000113.5
295E56.2Low56.5Low179 Ų179146.1 Ų146.184%0.83673%0.732SS**  trans-87.4111.5165.9-78.7-167.2155.700109.8N293 V297N293-E295 PolarHBondContact O-N 3.37Å; E295-V297 PolarHBondContact O-N 3.2Å
296E58.1Low58.5Low188 Ų188142.1 Ų142.188%0.87972%0.715SS**  trans-49.5113.7172.8-76.8-175.9145.700110.3R298E296-R298 PolarHBondContact O-N 2.95Å
297V64.4Low60.5Low98 Ų98134.6 Ų134.659%0.59470%0.698SS**  trans-51.3115166.5176.80000107.4E295 V299 E301E295-V297 PolarHBondContact O-N 3.2Å; V297-V299 PolarHBondContact O-N 3.44Å; V297-E301 HydrophobicContact CG1-CB 3.93Å
298R78.4Confident62.4Low191 Ų191132.6 Ų132.672%0.72168%0.682SS**  trans-55.9137-178.8-72.3-178.1173.6175.10108.7E296 S300 E301 R302E296-R298 PolarHBondContact O-N 2.95Å; R298-S300 PolarHBondContact O-N 3.25Å; R298-E301 PolarHBondContact O-N 3.39Å; R298-R302 PolarHBondContact O-N 2.88Å
299V70.9Confident64.4Low110 Ų110133.1 Ų133.167%0.66767%0.671SS**Hα-helixtrans-48.8-32.9-179.9177.20000112.1V297 E301 R302 E303V297-V299 PolarHBondContact O-N 3.44Å; V299-E301 PolarHBondContact O-N 3.43Å; V299-R302 PolarHBondContact O-N 3.2Å; V299-E303 PolarHBondContact O-N 3.33Å
300S75.1Confident66.5Low76 Ų76125.9 Ų125.953%0.53165%0.652SS.*Hα-helixtrans-63.4-32.4176.255.80000114.9R298 H304R298-S300 PolarHBondContact O-N 3.25Å; S300-H304 PolarHBondContact O-N 3.4Å
301E74.6Confident68.1Low104 Ų104122.8 Ų122.849%0.48664%0.636SS.*Hα-helixtrans-78-33.8177.9-68.3179.3162.200111V297 R298 V299 E303 H304 W305V297-E301 HydrophobicContact CG1-CB 3.93Å; R298-E301 PolarHBondContact O-N 3.39Å; V299-E301 PolarHBondContact O-N 3.43Å; E301-E303 PolarHBondContact O-N 2.93Å; E301-H304 WeakPolarHBondContact O-CB 3.31Å; E301-H304 PolarHBondContact O-N 3.19Å; E301-W305 PolarHBondContact O-N 3.14Å; E301-W305 VanDerWaalsContact O-N 3.07Å
302R72.4Confident69.5Low186 Ų186123.4 Ų123.470%0.70263%0.631SS**Hα-helixtrans-64.1-40175.7-163.6176.7-169.6177.74.6112.2R298 V299 H304 W305 C306R298-R302 PolarHBondContact O-N 2.88Å; V299-R302 PolarHBondContact O-N 3.2Å; R302-H304 VanDerWaalsContact C-N 3.33Å; R302-W305 PolarHBondContact O-N 2.92Å; R302-C306 PolarHBondContact O-N 3.37Å; R302-C306 PolarHBondContact O-SG 3.05Å
303E79.5Confident71.2Confident135 Ų135121 Ų12163%0.63161%0.612SS**Hα-helixtrans-64.8-38175.1-71.1-177.6168.100112.1V299 E301 C306 A307V299-E303 PolarHBondContact O-N 3.33Å; E301-E303 PolarHBondContact O-N 2.93Å; E303-C306 PolarHBondContact O-N 2.78Å; E303-A307 PolarHBondContact O-N 3.34Å
304H73.6Confident72.6Confident124 Ų124119.3 Ų119.357%0.57460%0.599SS**Hα-helixtrans-62.4-46.9175.8-170.674000111.7S300 E301 R302 C306 A307 V308S300-H304 PolarHBondContact O-N 3.4Å; E301-H304 WeakPolarHBondContact O-CB 3.31Å; E301-H304 PolarHBondContact O-N 3.19Å; R302-H304 VanDerWaalsContact C-N 3.33Å; H304-C306 PolarHBondContact O-N 2.88Å; H304-A307 WeakPolarHBondContact O-CB 3.47Å; H304-A307 PolarHBondContact O-N 3.46Å; H304-V308 WeakPolarHBondContact O-CG2 3.33Å; H304-V308 PolarHBondContact O-N 3.23Å
305W81.1Confident73.2Confident165 Ų165114.1 Ų114.163%0.62558%0.576SS**Hα-helixtrans-65-39.7177.7-73.6112.8000113E301 R302 A307 V308 E309E301-W305 PolarHBondContact O-N 3.14Å; E301-W305 VanDerWaalsContact O-N 3.07Å; R302-W305 PolarHBondContact O-N 2.92Å; W305-A307 VanDerWaalsContact C-N 3.29Å; W305-A307 PolarHBondContact O-N 3.26Å; W305-V308 PolarHBondContact O-N 2.92Å; W305-E309 PolarHBondContact O-N 3.21Å
306C79.9Confident74Confident64 Ų64107 Ų10743%0.43255%0.55SS..Hα-helixtrans-60.7-37.2173.5-74.30000112.6R302 E303 H304 T310R302-C306 PolarHBondContact O-N 3.37Å; R302-C306 PolarHBondContact O-SG 3.05Å; E303-C306 PolarHBondContact O-N 2.78Å; H304-C306 PolarHBondContact O-N 2.88Å; C306-T310 WeakPolarHBondContact O-CB 3.27Å; C306-T310 PolarHBondContact O-N 3.48Å; C306-T310 VanDerWaalsContact O-N 3.08Å; C306-T310 PolarHBondContact O-OG1 3.37Å
307A79.8Confident74.7Confident61 Ų61105 Ų10550%0.50453%0.534SS..Hα-helixtrans-68.1-41.4176.400000111.8E303 H304 W305 T310 L311E303-A307 PolarHBondContact O-N 3.34Å; H304-A307 WeakPolarHBondContact O-CB 3.47Å; H304-A307 PolarHBondContact O-N 3.46Å; W305-A307 VanDerWaalsContact C-N 3.29Å; W305-A307 PolarHBondContact O-N 3.26Å; A307-T310 PolarHBondContact O-N 2.86Å; A307-L311 PolarHBondContact O-N 3.49Å
308V74.4Confident74.4Confident56 Ų56105 Ų10534%0.33953%0.531SS..Hα-helixtrans-64-47.6176.2174.50000111.1H304 W305 T310 L311 V312H304-V308 WeakPolarHBondContact O-CG2 3.33Å; H304-V308 PolarHBondContact O-N 3.23Å; W305-V308 PolarHBondContact O-N 2.92Å; V308-T310 VanDerWaalsContact C-N 3.3Å; V308-T310 PolarHBondContact O-N 3.23Å; V308-L311 WeakPolarHBondContact O-CB 3.49Å; V308-L311 PolarHBondContact O-N 3.35Å; V308-L311 VanDerWaalsContact O-N 3.14Å; V308-V312 HydrophobicContact CG1-CG2 4.4Å; V308-V312 WeakPolarHBondContact O-CG2 3.41Å; V308-V312 PolarHBondContact O-N 3.29Å
309E75.1Confident73Confident140 Ų14099.9 Ų99.965%0.65452%0.521SS*.Hα-helixtrans-59.5-41176.7-75.8-171.7161.300112.2W305 L311 V312 D313W305-E309 PolarHBondContact O-N 3.21Å; E309-L311 VanDerWaalsContact C-N 3.33Å; E309-L311 PolarHBondContact O-N 2.76Å; E309-V312 PolarHBondContact O-N 3.24Å; E309-D313 PolarHBondContact O-N 3.46Å
310T80.7Confident72.5Confident75 Ų75102 Ų10246%0.4652%0.517SS..Hα-helixtrans-62.4-41.4176.5-600000111.4C306 A307 V308 Q314C306-T310 WeakPolarHBondContact O-CB 3.27Å; C306-T310 PolarHBondContact O-N 3.48Å; C306-T310 VanDerWaalsContact O-N 3.08Å; C306-T310 PolarHBondContact O-OG1 3.37Å; A307-T310 PolarHBondContact O-N 2.86Å; V308-T310 VanDerWaalsContact C-N 3.3Å; V308-T310 PolarHBondContact O-N 3.23Å; T310-Q314 WeakPolarHBondContact O-CB 3.29Å; T310-Q314 VanDerWaalsContact O-CG 3.25Å; T310-Q314 WeakPolarHBondContact O-CG 3.27Å; T310-Q314 PolarHBondContact O-N 3.22Å
311L74.4Confident71.8Confident104 Ų104106.3 Ų106.355%0.54552%0.521SS..Hα-helixtrans-66.2-44.8177.5-161.691.1000111.5A307 V308 E309 D313 Q314 C315A307-L311 PolarHBondContact O-N 3.49Å; V308-L311 WeakPolarHBondContact O-CB 3.49Å; V308-L311 PolarHBondContact O-N 3.35Å; V308-L311 VanDerWaalsContact O-N 3.14Å; E309-L311 VanDerWaalsContact C-N 3.33Å; E309-L311 PolarHBondContact O-N 2.76Å; L311-D313 PolarHBondContact O-N 2.73Å; L311-Q314 PolarHBondContact O-N 3.46Å; L311-C315 WeakPolarHBondContact O-CB 3.31Å; L311-C315 PolarHBondContact O-N 3.35Å; L311-C315 PolarHBondContact O-SG 3.41Å
312V72.9Confident70.6Confident97 Ų97105 Ų10559%0.58852%0.517SS*.Hα-helixtrans-60.8-44.3178.1171.30000111V308 E309 C315 G316V308-V312 HydrophobicContact CG1-CG2 4.4Å; V308-V312 WeakPolarHBondContact O-CG2 3.41Å; V308-V312 PolarHBondContact O-N 3.29Å; E309-V312 PolarHBondContact O-N 3.24Å; V312-C315 PolarHBondContact O-N 2.87Å; V312-G316 PolarHBondContact O-N 3.09Å
313D74.9Confident69.7Low66 Ų6699.3 Ų99.335%0.35350%0.503SS..Hα-helixtrans-68.2-36.8177.6179.964000112.6E309 L311 G316 R317 R320E309-D313 PolarHBondContact O-N 3.46Å; L311-D313 PolarHBondContact O-N 2.73Å; D313-G316 PolarHBondContact O-N 3.37Å; D313-R317 WeakPolarHBondContact O-CG 3.18Å; D313-R317 PolarHBondContact O-N 2.95Å; D313-R317 IonicContact OD1-NE 3.08Å; D313-R317 IonicContact OD2-CZ 2.76Å; D313-R317 IonicContact OD2-NE 2.78Å; D313-R317 PolarHBondContact OD2-NE 3.44Å; D313-R317 IonicContact OD2-NH2 3.99Å; D313-R317 PolarHBondContact OD2-NH2 3.28Å; D313-R320 IonicContact OD1-NH2 3.45Å
314Q76.4Confident68.4Low110 Ų110101.3 Ų101.351%0.51450%0.504SS..Hα-helixtrans-62.2-45.5172.8-75.3178.915.800112T310 L311 R317 L318T310-Q314 WeakPolarHBondContact O-CB 3.29Å; T310-Q314 VanDerWaalsContact O-CG 3.25Å; T310-Q314 WeakPolarHBondContact O-CG 3.27Å; T310-Q314 PolarHBondContact O-N 3.22Å; L311-Q314 PolarHBondContact O-N 3.46Å; Q314-R317 PolarHBondContact O-N 2.86Å; Q314-L318 PolarHBondContact O-N 3.02Å
315C64Low67.7Low68 Ų68102.6 Ų102.646%0.45950%0.504SS..Hα-helixtrans-60.1-45.7173.5-74.40000111.3L311 V312 R317 L318 T319L311-C315 WeakPolarHBondContact O-CB 3.31Å; L311-C315 PolarHBondContact O-N 3.35Å; L311-C315 PolarHBondContact O-SG 3.41Å; V312-C315 PolarHBondContact O-N 2.87Å; C315-R317 VanDerWaalsContact C-N 3.31Å; C315-R317 PolarHBondContact O-N 3.3Å; C315-L318 PolarHBondContact O-N 2.97Å; C315-L318 VanDerWaalsContact O-N 3.15Å; C315-T319 PolarHBondContact O-N 3.46Å; C315-T319 PolarHBondContact O-OG1 2.8Å; C315-T319 VanDerWaalsContact O-OG1 3.08Å
316G73.7Confident66.2Low28 Ų2898.4 Ų98.429%0.28950%0.497SS..Hα-helixtrans-62-33.9176.100000113.5V312 D313 R320V312-G316 PolarHBondContact O-N 3.09Å; D313-G316 PolarHBondContact O-N 3.37Å; G316-R320 WeakPolarHBondContact O-CB 3.33Å; G316-R320 VanDerWaalsContact O-CG 3.28Å; G316-R320 WeakPolarHBondContact O-CG 3.25Å; G316-R320 PolarHBondContact O-N 3.47Å; G316-R320 PolarHBondContact O-NE 3.27Å
317R73.1Confident65Low147 Ų14799.8 Ų99.856%0.55550%0.497SS*.Hα-helixtrans-72-38.4172.9-74.2-169.3-112.6-174.32.5112.4D313 Q314 C315 R321D313-R317 WeakPolarHBondContact O-CG 3.18Å; D313-R317 PolarHBondContact O-N 2.95Å; D313-R317 IonicContact OD1-NE 3.08Å; D313-R317 IonicContact OD2-CZ 2.76Å; D313-R317 IonicContact OD2-NE 2.78Å; D313-R317 PolarHBondContact OD2-NE 3.44Å; D313-R317 IonicContact OD2-NH2 3.99Å; D313-R317 PolarHBondContact OD2-NH2 3.28Å; Q314-R317 PolarHBondContact O-N 2.86Å; C315-R317 VanDerWaalsContact C-N 3.31Å; C315-R317 PolarHBondContact O-N 3.3Å; R317-R321 PolarHBondContact O-N 2.68Å
318L57.8Low63.7Low98 Ų98101.2 Ų101.251%0.51349%0.493SS..Hα-helixtrans-66.8-48.8177.4-176.564.1000111.3Q314 C315 R320 R321 I322Q314-L318 PolarHBondContact O-N 3.02Å; C315-L318 PolarHBondContact O-N 2.97Å; C315-L318 VanDerWaalsContact O-N 3.15Å; L318-R320 VanDerWaalsContact C-N 3.32Å; L318-R320 PolarHBondContact O-N 3.2Å; L318-R321 WeakPolarHBondContact O-CA 3.26Å; L318-R321 WeakPolarHBondContact O-CB 3.28Å; L318-R321 PolarHBondContact O-N 2.84Å; L318-I322 HydrophobicContact CD1-CD1 4.3Å; L318-I322 HydrophobicContact CG-CD1 3.93Å; L318-I322 WeakPolarHBondContact O-CG1 3.33Å; L318-I322 PolarHBondContact O-N 2.72Å
319T49.8Very low62.5Low83 Ų83100.5 Ų100.551%0.50949%0.493SS..Hα-helixtrans-58.5-42.7177.6-56.80000111.4C315 R321 I322 V323C315-T319 PolarHBondContact O-N 3.46Å; C315-T319 PolarHBondContact O-OG1 2.8Å; C315-T319 VanDerWaalsContact O-OG1 3.08Å; T319-R321 VanDerWaalsContact C-N 3.28Å; T319-R321 PolarHBondContact O-N 3.2Å; T319-I322 PolarHBondContact O-N 3.12Å; T319-V323 HydrophobicContact CG2-CG2 4.34Å; T319-V323 VanDerWaalsContact O-CG2 3.31Å; T319-V323 WeakPolarHBondContact O-CG2 3.49Å; T319-V323 PolarHBondContact O-N 3.44Å
320R58.7Low61.6Low155 Ų15597.1 Ų97.159%0.58548%0.482SS*.Hα-helixtrans-62-30.7175-77.6-178.8-76.4-160.50.6113.7D313 G316 L318D313-R320 IonicContact OD1-NH2 3.45Å; G316-R320 WeakPolarHBondContact O-CB 3.33Å; G316-R320 VanDerWaalsContact O-CG 3.28Å; G316-R320 WeakPolarHBondContact O-CG 3.25Å; G316-R320 PolarHBondContact O-N 3.47Å; G316-R320 PolarHBondContact O-NE 3.27Å; L318-R320 VanDerWaalsContact C-N 3.32Å; L318-R320 PolarHBondContact O-N 3.2Å
321R60.7Low60.4Low166 Ų16696.4 Ų96.463%0.62647%0.474SS*.Hα-helixtrans-75.2-43.1174-76.1178170179.2-2111.6R317 L318 T319 R324 W325R317-R321 PolarHBondContact O-N 2.68Å; L318-R321 WeakPolarHBondContact O-CA 3.26Å; L318-R321 WeakPolarHBondContact O-CB 3.28Å; L318-R321 PolarHBondContact O-N 2.84Å; T319-R321 VanDerWaalsContact C-N 3.28Å; T319-R321 PolarHBondContact O-N 3.2Å; R321-R324 PolarHBondContact O-N 3.5Å; R321-W325 PolarHBondContact O-N 3.29Å; R321-W325 VanDerWaalsContact O-N 3.13Å
322I49.4Very low59.7Low78 Ų7894.2 Ų94.240%0.447%0.467SS..Hα-helixtrans-63-46.2179.3-66.2170.7000110.9L318 T319 R324 W325 T326L318-I322 HydrophobicContact CD1-CD1 4.3Å; L318-I322 HydrophobicContact CG-CD1 3.93Å; L318-I322 WeakPolarHBondContact O-CG1 3.33Å; L318-I322 PolarHBondContact O-N 2.72Å; T319-I322 PolarHBondContact O-N 3.12Å; I322-R324 VanDerWaalsContact C-N 3.32Å; I322-R324 PolarHBondContact O-N 3.17Å; I322-W325 WeakPolarHBondContact O-CB 3.41Å; I322-W325 PolarHBondContact O-N 3.3Å; I322-T326 HydrophobicContact CG2-CG2 4.42Å; I322-T326 PolarHBondContact O-N 3.47Å; I322-T326 PolarHBondContact O-OG1 3.28Å
323V53.9Low58.9Low66 Ų6695 Ų9540%0.447%0.467SS..Hα-helixtrans-58.3-42.9178.4171.70000111.7T319 W325 T326 E327T319-V323 HydrophobicContact CG2-CG2 4.34Å; T319-V323 VanDerWaalsContact O-CG2 3.31Å; T319-V323 WeakPolarHBondContact O-CG2 3.49Å; T319-V323 PolarHBondContact O-N 3.44Å; V323-W325 VanDerWaalsContact C-N 3.31Å; V323-W325 PolarHBondContact O-N 2.86Å; V323-T326 WeakPolarHBondContact CA-OG1 3.46Å; V323-T326 PolarHBondContact O-N 3.11Å; V323-T326 PolarHBondContact O-OG1 2.96Å; V323-E327 WeakPolarHBondContact O-CG 3.42Å; V323-E327 PolarHBondContact O-N 3.41Å; V323-E327 VanDerWaalsContact O-N 3.1Å
324R52.2Low58.4Low177 Ų17798 Ų9867%0.66847%0.474SS*.Hα-helixtrans-63.1-38.2175-78.8-177.5168179.2-1.9112.7R321 I322 E328R321-R324 PolarHBondContact O-N 3.5Å; I322-R324 VanDerWaalsContact C-N 3.32Å; I322-R324 PolarHBondContact O-N 3.17Å; R324-E328 WeakPolarHBondContact O-CG 3.06Å; R324-E328 PolarHBondContact O-N 3.31Å; R324-E328 VanDerWaalsContact O-N 3.12Å
325W58.5Low57.8Low150 Ų15095.5 Ų95.557%0.56847%0.465SS*.Hα-helixtrans-70.7-36.5179.4-67.7-14.7000112.8R321 I322 V323 A329R321-W325 PolarHBondContact O-N 3.29Å; R321-W325 VanDerWaalsContact O-N 3.13Å; I322-W325 WeakPolarHBondContact O-CB 3.41Å; I322-W325 PolarHBondContact O-N 3.3Å; V323-W325 VanDerWaalsContact C-N 3.31Å; V323-W325 PolarHBondContact O-N 2.86Å; W325-A329 VanDerWaalsContact O-CB 3.25Å; W325-A329 WeakPolarHBondContact O-CB 3.39Å; W325-A329 PolarHBondContact O-N 3.17Å
326T49.8Very low57.9Low77 Ų7796.2 Ų96.247%0.47246%0.461SS..Hα-helixtrans-68.2-42.3176.4500000111.1I322 V323 A329 V330I322-T326 HydrophobicContact CG2-CG2 4.42Å; I322-T326 PolarHBondContact O-N 3.47Å; I322-T326 PolarHBondContact O-OG1 3.28Å; V323-T326 WeakPolarHBondContact CA-OG1 3.46Å; V323-T326 PolarHBondContact O-N 3.11Å; V323-T326 PolarHBondContact O-OG1 2.96Å; T326-A329 PolarHBondContact O-N 2.85Å; T326-V330 VanDerWaalsContact O-CG2 3.3Å; T326-V330 WeakPolarHBondContact O-CG2 3.32Å; T326-V330 PolarHBondContact O-N 2.86Å
327E53.9Low57.3Low94 Ų9498.6 Ų98.644%0.43947%0.47SS..Hα-helixtrans-61.9-46.9176.2-72.1171.2178.100112.7V323 A329 V330 M331V323-E327 WeakPolarHBondContact O-CG 3.42Å; V323-E327 PolarHBondContact O-N 3.41Å; V323-E327 VanDerWaalsContact O-N 3.1Å; E327-A329 VanDerWaalsContact C-N 3.32Å; E327-A329 PolarHBondContact O-N 3.33Å; E327-V330 PolarHBondContact O-N 3.49Å; E327-M331 PolarHBondContact O-N 3.3Å; E327-M331 VanDerWaalsContact O-N 3.09Å
328E53.6Low56.8Low91 Ų9197.6 Ų97.643%0.42547%0.471SS..Hα-helixtrans-62.7-38.6175.7-75.3-180-178.100112.1R324 M331 C332 R376R324-E328 WeakPolarHBondContact O-CG 3.06Å; R324-E328 PolarHBondContact O-N 3.31Å; R324-E328 VanDerWaalsContact O-N 3.12Å; E328-M331 WeakPolarHBondContact O-CB 3.31Å; E328-M331 PolarHBondContact O-N 3.27Å; E328-C332 PolarHBondContact O-N 3.17Å; E328-C332 PolarHBondContact O-SG 3.18Å; E328-R376 IonicContact OE2-NH1 3.38Å; E328-R376 PolarHBondContact OE2-NH1 3.08Å
329A49.1Very low57.3Low40 Ų4095.6 Ų95.633%0.33146%0.46SS..Hα-helixtrans-65.7-43.1177.800000111.7W325 T326 E327 M331 C332 L333W325-A329 VanDerWaalsContact O-CB 3.25Å; W325-A329 WeakPolarHBondContact O-CB 3.39Å; W325-A329 PolarHBondContact O-N 3.17Å; T326-A329 PolarHBondContact O-N 2.85Å; E327-A329 VanDerWaalsContact C-N 3.32Å; E327-A329 PolarHBondContact O-N 3.33Å; A329-M331 VanDerWaalsContact C-N 3.32Å; A329-M331 PolarHBondContact O-N 3.13Å; A329-C332 PolarHBondContact O-N 3.37Å; A329-L333 WeakPolarHBondContact O-CB 3.19Å; A329-L333 PolarHBondContact O-N 3.44Å
330V56.6Low57.9Low70 Ų7094.3 Ų94.342%0.42445%0.45SS..Hα-helixtrans-60.7-42.3175.6170.70000110.9T326 E327 L333 R334T326-V330 VanDerWaalsContact O-CG2 3.3Å; T326-V330 WeakPolarHBondContact O-CG2 3.32Å; T326-V330 PolarHBondContact O-N 2.86Å; E327-V330 PolarHBondContact O-N 3.49Å; V330-L333 PolarHBondContact O-N 3.03Å; V330-R334 WeakPolarHBondContact O-CG 3.45Å; V330-R334 PolarHBondContact O-N 3.37Å
331M54.8Low57.8Low60 Ų6090.5 Ų90.530%0.29645%0.447SS..Hα-helixtrans-61.8-47.7175.1-95.3-92.8-78.500112.8E327 E328 A329 L333 R334 V335 A432 C435E327-M331 PolarHBondContact O-N 3.3Å; E327-M331 VanDerWaalsContact O-N 3.09Å; E328-M331 WeakPolarHBondContact O-CB 3.31Å; E328-M331 PolarHBondContact O-N 3.27Å; A329-M331 VanDerWaalsContact C-N 3.32Å; A329-M331 PolarHBondContact O-N 3.13Å; M331-L333 VanDerWaalsContact C-N 3.32Å; M331-L333 PolarHBondContact O-N 3.03Å; M331-R334 PolarHBondContact O-N 3.39Å; M331-V335 WeakPolarHBondContact O-CG2 3.12Å; M331-V335 PolarHBondContact O-N 3.2Å; M331-A432 VanDerWaalsContact CE-CA 3.47Å; M331-A432 HydrophobicContact CE-CB 3.49Å; M331-A432 VanDerWaalsContact CE-CB 3.49Å; M331-A432 VanDerWaalsContact CE-O 3.27Å; M331-A432 WeakPolarHBondContact CE-O 3.48Å; M331-A432 HydrophobicContact CG-CB 3.81Å; M331-A432 HydrophobicContact SD-CB 3.28Å; M331-A432 WeakPolarHBondContact SD-CB 3.32Å; M331-C435 HydrophobicContact CE-CB 4.35Å
332C59.6Low57.4Low57 Ų5787.9 Ų87.939%0.38545%0.445SS..Hα-helixtrans-59.2-46.9175.3-66.70000110.4E328 A329 R334 V335 F336E328-C332 PolarHBondContact O-N 3.17Å; E328-C332 PolarHBondContact O-SG 3.18Å; A329-C332 PolarHBondContact O-N 3.37Å; C332-R334 PolarHBondContact O-N 2.97Å; C332-V335 PolarHBondContact O-N 3.02Å; C332-F336 HydrophobicContact CB-CD2 4.32Å; C332-F336 HydrophobicContact CB-CE2 4.3Å; C332-F336 WeakPolarHBondContact O-CB 3.08Å; C332-F336 WeakPolarHBondContact O-CD2 3.31Å; C332-F336 WeakPolarHBondContact O-CG 3.49Å; C332-F336 PolarHBondContact O-N 3.3Å
333L56.1Low57.9Low114 Ų11485.1 Ų85.160%0.59743%0.43SS*.Hα-helixtrans-56.5-47.5176.3-98.2140.2000111.6A329 V330 M331 F336 T337A329-L333 WeakPolarHBondContact O-CB 3.19Å; A329-L333 PolarHBondContact O-N 3.44Å; V330-L333 PolarHBondContact O-N 3.03Å; M331-L333 VanDerWaalsContact C-N 3.32Å; M331-L333 PolarHBondContact O-N 3.03Å; L333-F336 CarbonylContact O-C 3.54Å; L333-F336 PolarHBondContact O-N 3.26Å; L333-T337 WeakPolarHBondContact O-CB 3.43Å; L333-T337 PolarHBondContact O-N 3.24Å; L333-T337 PolarHBondContact O-OG1 3.19Å
334R63.8Low57.8Low130 Ų13085.3 Ų85.349%0.49143%0.429SS..Hα-helixtrans-63.4-44179.1-72.9179.7-175.7-171.42.7112.9V330 M331 C332 F336 T337 H338V330-R334 WeakPolarHBondContact O-CG 3.45Å; V330-R334 PolarHBondContact O-N 3.37Å; M331-R334 PolarHBondContact O-N 3.39Å; C332-R334 PolarHBondContact O-N 2.97Å; R334-F336 VanDerWaalsContact C-N 3.32Å; R334-F336 PolarHBondContact O-N 3.24Å; R334-T337 PolarHBondContact O-N 3.24Å; R334-H338 PolarHBondContact O-CD2 3.28Å; R334-H338 VanDerWaalsContact O-CD2 3.23Å; R334-H338 PolarHBondContact O-N 2.94Å
335V64.7Low57.7Low56 Ų5683.5 Ų83.534%0.33943%0.427SS..Hα-helixtrans-62.2-43.4174.6173.80000110.1M331 C332 H338 I339M331-V335 WeakPolarHBondContact O-CG2 3.12Å; M331-V335 PolarHBondContact O-N 3.2Å; C332-V335 PolarHBondContact O-N 3.02Å; V335-H338 PolarHBondContact O-N 3.22Å; V335-I339 HydrophobicContact CG1-CD1 3.73Å; V335-I339 HydrophobicContact CG1-CG1 4.42Å; V335-I339 WeakPolarHBondContact O-CB 3.34Å; V335-I339 WeakPolarHBondContact O-CG1 3.37Å; V335-I339 PolarHBondContact O-N 2.94Å
336F65.8Low57.2Low84 Ų8478.9 Ų78.937%0.36841%0.412SS..Hα-helixtrans-64.1-37.9174.4-78.3-60.3000112.4C332 L333 R334 I339 D340 C379C332-F336 HydrophobicContact CB-CD2 4.32Å; C332-F336 HydrophobicContact CB-CE2 4.3Å; C332-F336 WeakPolarHBondContact O-CB 3.08Å; C332-F336 WeakPolarHBondContact O-CD2 3.31Å; C332-F336 WeakPolarHBondContact O-CG 3.49Å; C332-F336 PolarHBondContact O-N 3.3Å; L333-F336 CarbonylContact O-C 3.54Å; L333-F336 PolarHBondContact O-N 3.26Å; R334-F336 VanDerWaalsContact C-N 3.32Å; R334-F336 PolarHBondContact O-N 3.24Å; F336-I339 CarbonylContact O-C 3.45Å; F336-I339 PolarHBondContact O-N 3.1Å; F336-D340 WeakPolarHBondContact O-CB 3.39Å; F336-D340 PolarHBondContact O-N 2.87Å; F336-C379 HydrophobicContact CZ-CB 3.99Å
337T61.4Low57.4Low78 Ų7879.2 Ų79.248%0.47941%0.405SS..Hα-helixtrans-66.2-43.5176.2-55.40000110.8L333 R334 I339 D340 C341L333-T337 WeakPolarHBondContact O-CB 3.43Å; L333-T337 PolarHBondContact O-N 3.24Å; L333-T337 PolarHBondContact O-OG1 3.19Å; R334-T337 PolarHBondContact O-N 3.24Å; T337-I339 PolarHBondContact O-N 3.35Å; T337-D340 CarbonylContact O-C 3.58Å; T337-D340 PolarHBondContact O-N 3.4Å; T337-C341 WeakPolarHBondContact O-CB 3.39Å; T337-C341 PolarHBondContact O-N 3.01Å; T337-C341 PolarHBondContact O-SG 3.41Å
338H62.8Low57.2Low125 Ų12579.2 Ų79.258%0.57942%0.415SS*.Hα-helixtrans-63-42.6174.3-81.2-66.8000112.2R334 V335 D340 C341 L342R334-H338 PolarHBondContact O-CD2 3.28Å; R334-H338 VanDerWaalsContact O-CD2 3.23Å; R334-H338 PolarHBondContact O-N 2.94Å; V335-H338 PolarHBondContact O-N 3.22Å; H338-D340 VanDerWaalsContact C-N 3.35Å; H338-C341 PolarHBondContact O-N 3.3Å; H338-L342 WeakPolarHBondContact O-CG 3.38Å; H338-L342 PolarHBondContact O-N 3.35Å
339I68Low57.2Low56 Ų5683.3 Ų83.329%0.28743%0.432SS..Hα-helixtrans-64.1-40.6174.7-71.8173.3000110.7V335 F336 T337 L342 F343V335-I339 HydrophobicContact CG1-CD1 3.73Å; V335-I339 HydrophobicContact CG1-CG1 4.42Å; V335-I339 WeakPolarHBondContact O-CB 3.34Å; V335-I339 WeakPolarHBondContact O-CG1 3.37Å; V335-I339 PolarHBondContact O-N 2.94Å; F336-I339 CarbonylContact O-C 3.45Å; F336-I339 PolarHBondContact O-N 3.1Å; T337-I339 PolarHBondContact O-N 3.35Å; I339-L342 WeakPolarHBondContact O-CB 3.29Å; I339-L342 PolarHBondContact O-N 3.04Å; I339-F343 HydrophobicContact CG2-CD2 3.45Å; I339-F343 VanDerWaalsContact CG2-CD2 3.45Å; I339-F343 HydrophobicContact CG2-CE2 3.09Å; I339-F343 HydrophobicContact CG2-CZ 4.09Å; I339-F343 WeakPolarHBondContact O-CD2 3.47Å; I339-F343 WeakPolarHBondContact O-CG 3.38Å; I339-F343 PolarHBondContact O-N 3.13Å
340D61.5Low57.4Low56 Ų5686.8 Ų86.830%0.29945%0.445SS..Hα-helixtrans-72.6-34.5179.2-159.647.7000111.6F336 T337 H338 F343 N344 R347F336-D340 WeakPolarHBondContact O-CB 3.39Å; F336-D340 PolarHBondContact O-N 2.87Å; T337-D340 CarbonylContact O-C 3.58Å; T337-D340 PolarHBondContact O-N 3.4Å; H338-D340 VanDerWaalsContact C-N 3.35Å; D340-F343 CarbonylContact O-C 3.49Å; D340-F343 PolarHBondContact O-N 3.37Å; D340-N344 VanDerWaalsContact O-CB 3.29Å; D340-N344 WeakPolarHBondContact O-CB 3.17Å; D340-N344 PolarHBondContact O-N 2.95Å; D340-N344 PolarHBondContact O-ND2 3Å; D340-N344 PolarHBondContact OD2-ND2 3.24Å; D340-R347 IonicContact OD1-NH1 2.76Å
341C58.1Low57.5Low76 Ų7686 Ų8651%0.51445%0.446SS..Hα-helixtrans-61.5-44.1168.6-72.10000111.2T337 H338 F343 N344 H345T337-C341 WeakPolarHBondContact O-CB 3.39Å; T337-C341 PolarHBondContact O-N 3.01Å; T337-C341 PolarHBondContact O-SG 3.41Å; H338-C341 PolarHBondContact O-N 3.3Å; C341-F343 VanDerWaalsContact C-N 3.29Å; C341-F343 PolarHBondContact O-N 3.29Å; C341-N344 PolarHBondContact O-N 3.39Å; C341-H345 PolarHBondContact O-N 2.94Å
342L52.7Low57.8Low110 Ų11090.4 Ų90.458%0.57647%0.47SS*.Hα-helixtrans-61.9-36.8173.2-74.3166.9000111.8H338 I339H338-L342 WeakPolarHBondContact O-CG 3.38Å; H338-L342 PolarHBondContact O-N 3.35Å; I339-L342 WeakPolarHBondContact O-CB 3.29Å; I339-L342 PolarHBondContact O-N 3.04Å
343F58Low58Low20 Ų2092.5 Ų92.59%0.08848%0.482CS..Hα-helixtrans-79.4-30.4176.7-71.8-49.9000114.3I339 D340 C341 H345 Q346 R347 F355I339-F343 HydrophobicContact CG2-CD2 3.45Å; I339-F343 VanDerWaalsContact CG2-CD2 3.45Å; I339-F343 HydrophobicContact CG2-CE2 3.09Å; I339-F343 HydrophobicContact CG2-CZ 4.09Å; I339-F343 WeakPolarHBondContact O-CD2 3.47Å; I339-F343 WeakPolarHBondContact O-CG 3.38Å; I339-F343 PolarHBondContact O-N 3.13Å; D340-F343 CarbonylContact O-C 3.49Å; D340-F343 PolarHBondContact O-N 3.37Å; C341-F343 VanDerWaalsContact C-N 3.29Å; C341-F343 PolarHBondContact O-N 3.29Å; F343-H345 VanDerWaalsContact C-N 3.26Å; F343-H345 PolarHBondContact O-N 2.6Å; F343-Q346 CarbonylContact O-C 3.6Å; F343-Q346 WeakPolarHBondContact O-CA 3.36Å; F343-Q346 WeakPolarHBondContact O-CB 3.35Å; F343-Q346 PolarHBondContact O-N 3.4Å; F343-R347 PolarHBondContact O-N 3.4Å; F343-F355 HydrophobicContact CE1-CB 4.32Å; F343-F355 HydrophobicContact CE1-CD1 4.25Å; F343-F355 AromaticContact CE2-CD1 3.74Å; F343-F355 HydrophobicContact CE2-CD1 3.74Å; F343-F355 HydrophobicContact CE2-CE1 4.31Å; F343-F355 HydrophobicContact CZ-CB 4.31Å; F343-F355 AromaticContact CZ-CD1 3.42Å; F343-F355 HydrophobicContact CZ-CD1 3.42Å; F343-F355 VanDerWaalsContact CZ-CD1 3.42Å; F343-F355 HydrophobicContact CZ-CE1 4.16Å; F343-F355 HydrophobicContact CZ-CG 4.31Å
344N53.2Low58.9Low71 Ų7187.6 Ų87.638%0.3846%0.457SS..Hα-helixtrans-67.5-30.8175.9-77.9-32.3000110.7D340 C341 Q346 R347D340-N344 VanDerWaalsContact O-CB 3.29Å; D340-N344 WeakPolarHBondContact O-CB 3.17Å; D340-N344 PolarHBondContact O-N 2.95Å; D340-N344 PolarHBondContact O-ND2 3Å; D340-N344 PolarHBondContact OD2-ND2 3.24Å; C341-N344 PolarHBondContact O-N 3.39Å; N344-Q346 VanDerWaalsContact C-N 3.29Å; N344-Q346 PolarHBondContact O-N 3.4Å; N344-R347 PolarHBondContact O-N 3.24Å; N344-R347 WeakPolarHBondContact OD1-CD 3.4Å; N344-R347 PolarHBondContact OD1-NH1 2.89Å
345H49.3Very low59Low138 Ų13883.5 Ų83.564%0.63944%0.443SS*.Hα-helixtrans-61.3-37.4166.7-17069.4000112.2C341 F343 S348C341-H345 PolarHBondContact O-N 2.94Å; F343-H345 VanDerWaalsContact C-N 3.26Å; F343-H345 PolarHBondContact O-N 2.6Å; H345-S348 PolarHBondContact O-OG 2.76Å
346Q49.5Very low59.3Low53 Ų5381 Ų8125%0.24843%0.428CS..Hα-helixtrans-76.6-25.8174.5-70.4-163.4-16.300114.4F343 N344 S348 K349 A394F343-Q346 CarbonylContact O-C 3.6Å; F343-Q346 WeakPolarHBondContact O-CA 3.36Å; F343-Q346 WeakPolarHBondContact O-CB 3.35Å; F343-Q346 PolarHBondContact O-N 3.4Å; N344-Q346 VanDerWaalsContact C-N 3.29Å; N344-Q346 PolarHBondContact O-N 3.4Å; Q346-S348 PolarHBondContact O-N 2.94Å; Q346-S348 VanDerWaalsContact O-N 3.14Å; Q346-K349 PolarHBondContact O-N 3.48Å; Q346-A394 PolarHBondContact NE2-O 3.43Å
347R52.1Low59.4Low84 Ų8478.2 Ų78.232%0.31742%0.421SS..Hα-helixtrans-62.1-18.4179.5-83.5-168.5173.7141.6-4.8113.6D340 F343 N344 K349D340-R347 IonicContact OD1-NH1 2.76Å; F343-R347 PolarHBondContact O-N 3.4Å; N344-R347 PolarHBondContact O-N 3.24Å; N344-R347 WeakPolarHBondContact OD1-CD 3.4Å; N344-R347 PolarHBondContact OD1-NH1 2.89Å; R347-K349 PolarHBondContact O-N 3.44Å
348S50.1Low59.9Low95 Ų9581.9 Ų81.966%0.66443%0.426SS*.THydrogen-bonded Turntrans-66.9-10.217570.20000114.6H345 Q346H345-S348 PolarHBondContact O-OG 2.76Å; Q346-S348 PolarHBondContact O-N 2.94Å; Q346-S348 VanDerWaalsContact O-N 3.14Å
349K53.9Low60.3Low176 Ų17677.8 Ų77.877%0.76541%0.408SS*.THydrogen-bonded Turntrans-125.6-18-174.7-70.5-173.3177-177.40117.3Q346 R347Q346-K349 PolarHBondContact O-N 3.48Å; R347-K349 PolarHBondContact O-N 3.44Å
350N54.6Low60.4Low113 Ų11377.1 Ų77.160%0.60441%0.408SS*.  trans-163.376.4-179.7-79.3-52.2000111.8D352N350-D352 PolarHBondContact O-N 3.42Å
351A58.3Low61.1Low55 Ų5580.7 Ų80.746%0.45542%0.42SS..THydrogen-bonded Turntrans-59-39.3-168.700000114.5S354 A357A351-S354 PolarHBondContact O-OG 3.35Å; A351-A357 WeakPolarHBondContact O-CB 2.98Å
352D60.5Low61.8Low151 Ų15179.2 Ų79.281%0.80741%0.414SS*.THydrogen-bonded Turntrans-89.8-16.1-168.1-64.9-35.3000115.4N350N350-D352 PolarHBondContact O-N 3.42Å
353T63.1Low62.8Low102 Ų10281 Ų8163%0.62641%0.413SS*.THydrogen-bonded Turntrans-105.7-4-176.858.40000113.7
354S75.8Confident63.8Low11 Ų1186.4 Ų86.48%0.07744%0.437CS..SBendtrans-63.8146.3-178.470.90000112.3A351 G356 A357 R358A351-S354 PolarHBondContact O-OG 3.35Å; S354-G356 PolarHBondContact O-N 3.34Å; S354-A357 PolarHBondContact O-N 3.16Å; S354-A357 WeakPolarHBondContact OG-CB 3.48Å; S354-A357 PolarHBondContact OG-N 2.82Å; S354-A357 VanDerWaalsContact OG-N 3.11Å; S354-R358 PolarHBondContact O-N 3.07Å
355F66.6Low64.9Low44 Ų4489.8 Ų89.819%0.19344%0.444CS..Hα-helixtrans-57.8-36.5173.1178.4-102000111.8F343 R358 L359 A386F343-F355 HydrophobicContact CE1-CB 4.32Å; F343-F355 HydrophobicContact CE1-CD1 4.25Å; F343-F355 AromaticContact CE2-CD1 3.74Å; F343-F355 HydrophobicContact CE2-CD1 3.74Å; F343-F355 HydrophobicContact CE2-CE1 4.31Å; F343-F355 HydrophobicContact CZ-CB 4.31Å; F343-F355 AromaticContact CZ-CD1 3.42Å; F343-F355 HydrophobicContact CZ-CD1 3.42Å; F343-F355 VanDerWaalsContact CZ-CD1 3.42Å; F343-F355 HydrophobicContact CZ-CE1 4.16Å; F343-F355 HydrophobicContact CZ-CG 4.31Å; F355-R358 PolarHBondContact O-N 3.4Å; F355-L359 HydrophobicContact CD1-CD1 3.69Å; F355-L359 HydrophobicContact CD1-CG 4.48Å; F355-L359 HydrophobicContact CE1-CD1 3.19Å; F355-L359 HydrophobicContact CE1-CG 4.11Å; F355-L359 HydrophobicContact CE2-CD1 4.49Å; F355-L359 HydrophobicContact CZ-CD1 3.66Å; F355-L359 HydrophobicContact CZ-CG 4.18Å; F355-L359 PolarHBondContact O-N 2.88Å; F355-A386 HydrophobicContact CE2-CB 4.23Å; F355-A386 HydrophobicContact CZ-CB 4.21Å
356G70.5Confident66Low3 Ų384.4 Ų84.43%0.03142%0.42CS..Hα-helixtrans-59.9-45.517300000113.2S354 R358 L359 C360S354-G356 PolarHBondContact O-N 3.34Å; G356-R358 VanDerWaalsContact C-N 3.33Å; G356-R358 PolarHBondContact O-N 3.15Å; G356-L359 PolarHBondContact O-N 3.19Å; G356-C360 WeakPolarHBondContact O-CB 3.32Å; G356-C360 PolarHBondContact O-N 2.96Å; G356-C360 PolarHBondContact O-SG 2.98Å; G356-C360 VanDerWaalsContact O-SG 3.4Å
357A68.3Low67Low25 Ų2589 Ų8921%0.20744%0.436CS..Hα-helixtrans-60.9-41.2175.900000112.4A351 S354 C360 K361A351-A357 WeakPolarHBondContact O-CB 2.98Å; S354-A357 PolarHBondContact O-N 3.16Å; S354-A357 WeakPolarHBondContact OG-CB 3.48Å; S354-A357 PolarHBondContact OG-N 2.82Å; S354-A357 VanDerWaalsContact OG-N 3.11Å; A357-C360 PolarHBondContact O-N 2.9Å; A357-K361 WeakPolarHBondContact O-CB 3.48Å; A357-K361 PolarHBondContact O-N 3.28Å
358R72Confident68.3Low156 Ų15691.3 Ų91.359%0.58945%0.45SS*.Hα-helixtrans-64.4-43.3176-68.8-173.3-69.2176.60112.2S354 F355 G356 K361 A362S354-R358 PolarHBondContact O-N 3.07Å; F355-R358 PolarHBondContact O-N 3.4Å; G356-R358 VanDerWaalsContact C-N 3.33Å; G356-R358 PolarHBondContact O-N 3.15Å; R358-K361 PolarHBondContact O-N 3.08Å; R358-A362 WeakPolarHBondContact O-CB 3.31Å; R358-A362 PolarHBondContact O-N 3.04Å
359L70.1Confident70Confident38 Ų3892.7 Ų92.720%0.19945%0.446CS..Hα-helixtrans-63.9-43.8174.8-88171.4000112.2F355 G356 K361 A362 R363F355-L359 HydrophobicContact CD1-CD1 3.69Å; F355-L359 HydrophobicContact CD1-CG 4.48Å; F355-L359 HydrophobicContact CE1-CD1 3.19Å; F355-L359 HydrophobicContact CE1-CG 4.11Å; F355-L359 HydrophobicContact CE2-CD1 4.49Å; F355-L359 HydrophobicContact CZ-CD1 3.66Å; F355-L359 HydrophobicContact CZ-CG 4.18Å; F355-L359 PolarHBondContact O-N 2.88Å; G356-L359 PolarHBondContact O-N 3.19Å; L359-K361 PolarHBondContact O-N 3.41Å; L359-A362 PolarHBondContact O-N 2.94Å; L359-R363 VanDerWaalsContact O-CB 3.31Å; L359-R363 WeakPolarHBondContact O-CB 3.29Å; L359-R363 PolarHBondContact O-N 2.99Å
360C70.5Confident71.1Confident42 Ų4287.7 Ų87.728%0.28445%0.445SS..Hα-helixtrans-61.5-43.2176.2-750000112G356 A357 R363 K364G356-C360 WeakPolarHBondContact O-CB 3.32Å; G356-C360 PolarHBondContact O-N 2.96Å; G356-C360 PolarHBondContact O-SG 2.98Å; G356-C360 VanDerWaalsContact O-SG 3.4Å; A357-C360 PolarHBondContact O-N 2.9Å; C360-R363 PolarHBondContact O-N 3.35Å; C360-K364 WeakPolarHBondContact O-CB 3.43Å; C360-K364 PolarHBondContact O-N 3.42Å
361K76.7Confident72Confident131 Ų13188.4 Ų88.457%0.5744%0.439SS*.Hα-helixtrans-65.1-40.9177.2-167.4172.5-173.8171.70111.8A357 R358 L359 R365A357-K361 WeakPolarHBondContact O-CB 3.48Å; A357-K361 PolarHBondContact O-N 3.28Å; R358-K361 PolarHBondContact O-N 3.08Å; L359-K361 PolarHBondContact O-N 3.41Å; K361-R365 WeakPolarHBondContact O-CG 3.45Å; K361-R365 PolarHBondContact O-N 2.91Å; K361-R365 VanDerWaalsContact O-N 3.16Å
362A71.7Confident72.3Confident46 Ų4687.5 Ų87.538%0.3844%0.435SS..Hα-helixtrans-64.4-44.6173.900000111.7R358 L359 R365 L366R358-A362 WeakPolarHBondContact O-CB 3.31Å; R358-A362 PolarHBondContact O-N 3.04Å; L359-A362 PolarHBondContact O-N 2.94Å; A362-R365 PolarHBondContact O-N 3.44Å; A362-L366 WeakPolarHBondContact O-CG 3.39Å; A362-L366 PolarHBondContact O-N 3.2Å; A362-L366 VanDerWaalsContact O-N 3.07Å
363R74.4Confident72.1Confident146 Ų14685.4 Ų85.455%0.55143%0.432SS*.Hα-helixtrans-57.7-50.3175.8-173.3-179.479.5177.83.8111.1L359 C360 R365 L366 Y367L359-R363 VanDerWaalsContact O-CB 3.31Å; L359-R363 WeakPolarHBondContact O-CB 3.29Å; L359-R363 PolarHBondContact O-N 2.99Å; C360-R363 PolarHBondContact O-N 3.35Å; R363-R365 PolarHBondContact O-N 3.42Å; R363-L366 PolarHBondContact O-N 2.87Å; R363-Y367 HydrophobicContact CG-CD2 3.77Å; R363-Y367 HydrophobicContact CG-CE2 3.79Å; R363-Y367 WeakPolarHBondContact O-CD2 3.46Å; R363-Y367 PolarHBondContact O-N 2.89Å
364K78.9Confident72.4Confident135 Ų13582.3 Ų82.359%0.58741%0.414SS*.Hα-helixtrans-56.5-49.7179.4-176.8171.2176.3176.60111.5C360 L366 Y367 E368C360-K364 WeakPolarHBondContact O-CB 3.43Å; C360-K364 PolarHBondContact O-N 3.42Å; K364-L366 VanDerWaalsContact C-N 3.32Å; K364-L366 PolarHBondContact O-N 3.5Å; K364-Y367 PolarHBondContact O-N 2.89Å; K364-E368 WeakPolarHBondContact CE-OE1 3.28Å; K364-E368 VanDerWaalsContact CG-OE1 3.32Å; K364-E368 WeakPolarHBondContact CG-OE1 3.31Å; K364-E368 VanDerWaalsContact O-CG 3.3Å; K364-E368 WeakPolarHBondContact O-CG 3.3Å; K364-E368 PolarHBondContact O-N 3.38Å
365R76.9Confident71.1Confident142 Ų14282.6 Ų82.654%0.53641%0.414SS..Hα-helixtrans-58.9-39.6177.6-72.9175.2177.1-176.1-4.5113.4K361 A362 R363 Q369K361-R365 WeakPolarHBondContact O-CG 3.45Å; K361-R365 PolarHBondContact O-N 2.91Å; K361-R365 VanDerWaalsContact O-N 3.16Å; A362-R365 PolarHBondContact O-N 3.44Å; R363-R365 PolarHBondContact O-N 3.42Å; R365-Q369 WeakPolarHBondContact O-CG 3.46Å; R365-Q369 PolarHBondContact O-N 2.94Å; R365-Q369 VanDerWaalsContact O-N 3.15Å
366L72Confident70.5Confident25 Ų2587 Ų8713%0.13143%0.43CS..Hα-helixtrans-75.3-32.8-178.6-70.8168.7000112.8A362 R363 K364 Q369 G370 R371 V375 L378A362-L366 WeakPolarHBondContact O-CG 3.39Å; A362-L366 PolarHBondContact O-N 3.2Å; A362-L366 VanDerWaalsContact O-N 3.07Å; R363-L366 PolarHBondContact O-N 2.87Å; K364-L366 VanDerWaalsContact C-N 3.32Å; K364-L366 PolarHBondContact O-N 3.5Å; L366-Q369 PolarHBondContact O-N 2.94Å; L366-G370 PolarHBondContact O-N 3.35Å; L366-R371 PolarHBondContact O-N 3.08Å; L366-V375 HydrophobicContact CB-CG2 3.58Å; L366-V375 HydrophobicContact CD1-CG2 4.04Å; L366-V375 HydrophobicContact CG-CG2 4.45Å; L366-L378 HydrophobicContact CD1-CD1 3.6Å; L366-L378 HydrophobicContact CD2-CD1 3.88Å; L366-L378 HydrophobicContact CG-CD1 4.41Å
367Y69.6Low70.2Confident150 Ų15089.7 Ų89.759%0.58845%0.452SS*.Hα-helixtrans-66.6-44.3170.5-93-80.6000111.3R363 K364 Q369 G370R363-Y367 HydrophobicContact CG-CD2 3.77Å; R363-Y367 HydrophobicContact CG-CE2 3.79Å; R363-Y367 WeakPolarHBondContact O-CD2 3.46Å; R363-Y367 PolarHBondContact O-N 2.89Å; K364-Y367 PolarHBondContact O-N 2.89Å; Y367-Q369 PolarHBondContact O-N 3.15Å; Y367-G370 PolarHBondContact O-N 3.34Å
368E80.8Confident69.9Low132 Ų13291.8 Ų91.862%0.61746%0.459SS*.Hα-helixtrans-59.9-24.8174.8-72.1165.8172.800112.3K364K364-E368 WeakPolarHBondContact CE-OE1 3.28Å; K364-E368 VanDerWaalsContact CG-OE1 3.32Å; K364-E368 WeakPolarHBondContact CG-OE1 3.31Å; K364-E368 VanDerWaalsContact O-CG 3.3Å; K364-E368 WeakPolarHBondContact O-CG 3.3Å; K364-E368 PolarHBondContact O-N 3.38Å
369Q85.2Confident69.6Low123 Ų12385.6 Ų85.658%0.57544%0.439SS*.THydrogen-bonded Turntrans-90.12.9176-71173100114.3R365 L366 Y367 R371R365-Q369 WeakPolarHBondContact O-CG 3.46Å; R365-Q369 PolarHBondContact O-N 2.94Å; R365-Q369 VanDerWaalsContact O-N 3.15Å; L366-Q369 PolarHBondContact O-N 2.94Å; Y367-Q369 PolarHBondContact O-N 3.15Å; Q369-R371 HydrophobicContact CB-CG 4.08Å; Q369-R371 WeakPolarHBondContact O-CG 3.25Å; Q369-R371 PolarHBondContact O-N 2.87Å
370G77.3Confident69.5Low71 Ų7186.5 Ų86.573%0.73245%0.452SS*.THydrogen-bonded Turntrans69.215.7-177.900000114.6L366 Y367 G372L366-G370 PolarHBondContact O-N 3.35Å; Y367-G370 PolarHBondContact O-N 3.34Å; G370-G372 PolarHBondContact O-N 2.97Å
371R73.6Confident69.4Low128 Ų12890.6 Ų90.648%0.48347%0.468SS..  trans-98.240.1-172.4-60.9-171.177.31748.3113.5L366 Q369 S373 T374 V375L366-R371 PolarHBondContact O-N 3.08Å; Q369-R371 HydrophobicContact CB-CG 4.08Å; Q369-R371 WeakPolarHBondContact O-CG 3.25Å; Q369-R371 PolarHBondContact O-N 2.87Å; R371-S373 VanDerWaalsContact C-N 3.29Å; R371-S373 PolarHBondContact O-N 3.34Å; R371-T374 WeakPolarHBondContact O-CA 3.43Å; R371-T374 VanDerWaalsContact O-CB 3.3Å; R371-T374 WeakPolarHBondContact O-CB 3.5Å; R371-T374 PolarHBondContact O-N 3.39Å; R371-V375 PolarHBondContact O-N 3.37Å; R371-V375 VanDerWaalsContact O-N 3.15Å
372G63.6Low69Low37 Ų3786.1 Ų86.138%0.38146%0.455SS..Hα-helixtrans-54.6-37.8-173.700000114.8G370 T374 V375G370-G372 PolarHBondContact O-N 2.97Å; G372-T374 VanDerWaalsContact C-N 3.35Å; G372-V375 WeakPolarHBondContact O-CB 3.5Å; G372-V375 PolarHBondContact O-N 3.47Å
373S56.9Low69Low106 Ų10685.7 Ų85.774%0.74145%0.448SS*.Hα-helixtrans-70.2-29.417557.80000113.1R371R371-S373 VanDerWaalsContact C-N 3.29Å; R371-S373 PolarHBondContact O-N 3.34Å
374T68.5Low68.8Low38 Ų3881.7 Ų81.723%0.23344%0.439CS..Hα-helixtrans-74-28.2176.6-40.70000111.8R371 G372 R376 A377 L378R371-T374 WeakPolarHBondContact O-CA 3.43Å; R371-T374 VanDerWaalsContact O-CB 3.3Å; R371-T374 WeakPolarHBondContact O-CB 3.5Å; R371-T374 PolarHBondContact O-N 3.39Å; G372-T374 VanDerWaalsContact C-N 3.35Å; T374-R376 PolarHBondContact O-N 3.46Å; T374-A377 PolarHBondContact O-N 3.41Å; T374-L378 HydrophobicContact CG2-CD1 3.85Å; T374-L378 HydrophobicContact CG2-CG 4.19Å; T374-L378 WeakPolarHBondContact O-CB 3.41Å; T374-L378 WeakPolarHBondContact O-CG 3.37Å; T374-L378 PolarHBondContact O-N 3.37Å
375V50.3Low68.4Low16 Ų1678.1 Ų78.110%0.09743%0.431CS..Hα-helixtrans-55.5-40.2175.5-179.70000111.2L366 R371 G372 L378 C379L366-V375 HydrophobicContact CB-CG2 3.58Å; L366-V375 HydrophobicContact CD1-CG2 4.04Å; L366-V375 HydrophobicContact CG-CG2 4.45Å; R371-V375 PolarHBondContact O-N 3.37Å; R371-V375 VanDerWaalsContact O-N 3.15Å; G372-V375 WeakPolarHBondContact O-CB 3.5Å; G372-V375 PolarHBondContact O-N 3.47Å; V375-L378 PolarHBondContact O-N 2.94Å; V375-C379 VanDerWaalsContact O-CB 3.31Å; V375-C379 WeakPolarHBondContact O-CB 3.38Å; V375-C379 PolarHBondContact O-N 2.91Å; V375-C379 PolarHBondContact O-SG 3.26Å
376R53.8Low68.3Low137 Ų13771.7 Ų71.752%0.51741%0.408SS..Hα-helixtrans-62.8-49.9-179.5-169.9-173.7-60-163.10.6112.2E328 T374 C379 A380E328-R376 IonicContact OE2-NH1 3.38Å; E328-R376 PolarHBondContact OE2-NH1 3.08Å; T374-R376 PolarHBondContact O-N 3.46Å; R376-C379 PolarHBondContact O-N 3.03Å; R376-A380 PolarHBondContact O-N 3.46Å
377A62.8Low68.6Low60 Ų6071.7 Ų71.750%0.49641%0.408SS..Hα-helixtrans-64-4318000000111.1T374 A380 E381T374-A377 PolarHBondContact O-N 3.41Å; A377-A380 PolarHBondContact O-N 2.96Å; A377-E381 VanDerWaalsContact O-CB 3.31Å; A377-E381 WeakPolarHBondContact O-CB 3.45Å; A377-E381 PolarHBondContact O-N 3.33Å
378L62.6Low69Low68 Ų6870.4 Ų70.436%0.35641%0.407SS..Hα-helixtrans-68.3-36.7178.9-70.3172.1000112.6L366 T374 V375 A382L366-L378 HydrophobicContact CD1-CD1 3.6Å; L366-L378 HydrophobicContact CD2-CD1 3.88Å; L366-L378 HydrophobicContact CG-CD1 4.41Å; T374-L378 HydrophobicContact CG2-CD1 3.85Å; T374-L378 HydrophobicContact CG2-CG 4.19Å; T374-L378 WeakPolarHBondContact O-CB 3.41Å; T374-L378 WeakPolarHBondContact O-CG 3.37Å; T374-L378 PolarHBondContact O-N 3.37Å; V375-L378 PolarHBondContact O-N 2.94Å; L378-A382 WeakPolarHBondContact O-CB 3.45Å; L378-A382 PolarHBondContact O-N 3.27Å
379C66.1Low69.1Low26 Ų2668.8 Ų68.818%0.17641%0.409CS..Hα-helixtrans-65.6-44.5173.7-78.20000111.6F336 V375 R376 E381 A382 V383F336-C379 HydrophobicContact CZ-CB 3.99Å; V375-C379 VanDerWaalsContact O-CB 3.31Å; V375-C379 WeakPolarHBondContact O-CB 3.38Å; V375-C379 PolarHBondContact O-N 2.91Å; V375-C379 PolarHBondContact O-SG 3.26Å; R376-C379 PolarHBondContact O-N 3.03Å; C379-E381 VanDerWaalsContact C-N 3.35Å; C379-A382 PolarHBondContact O-N 3Å; C379-V383 WeakPolarHBondContact O-CB 3.4Å; C379-V383 VanDerWaalsContact O-CG2 3.31Å; C379-V383 WeakPolarHBondContact O-CG2 3.35Å; C379-V383 PolarHBondContact O-N 3.37Å
380A66.7Low69.3Low57 Ų5764.4 Ų64.447%0.47140%0.397SS..Hα-helixtrans-62.5-43.4176.400000111.4R376 A377 T384R376-A380 PolarHBondContact O-N 3.46Å; A377-A380 PolarHBondContact O-N 2.96Å; A380-T384 VanDerWaalsContact O-CB 3.25Å; A380-T384 WeakPolarHBondContact O-CB 3.4Å; A380-T384 PolarHBondContact O-N 3.45Å; A380-T384 PolarHBondContact O-OG1 3.39Å
381E68.6Low69.6Low129 Ų12963.3 Ų63.360%0.60338%0.376SS*.Hα-helixtrans-66-41.2175.9-171.4175.4-173.800112A377 C379 T384 S385A377-E381 VanDerWaalsContact O-CB 3.31Å; A377-E381 WeakPolarHBondContact O-CB 3.45Å; A377-E381 PolarHBondContact O-N 3.33Å; C379-E381 VanDerWaalsContact C-N 3.35Å; E381-T384 PolarHBondContact O-N 3.05Å; E381-S385 WeakPolarHBondContact O-CA 3.31Å; E381-S385 WeakPolarHBondContact O-CB 3.38Å; E381-S385 PolarHBondContact O-N 3.28Å
382A68.4Low70.1Confident36 Ų3659.9 Ų59.930%0.29837%0.372SS..Hα-helixtrans-65.9-41.3177.700000112.1L378 C379 A386L378-A382 WeakPolarHBondContact O-CB 3.45Å; L378-A382 PolarHBondContact O-N 3.27Å; C379-A382 PolarHBondContact O-N 3Å; A382-A386 WeakPolarHBondContact O-CB 3.3Å; A382-A386 PolarHBondContact O-N 3.36Å
383V71.2Confident71.1Confident38 Ų3860 Ų6023%0.2336%0.363CS..Hα-helixtrans-66.5-45.61751700000110.4C379 S385 A386 M387C379-V383 WeakPolarHBondContact O-CB 3.4Å; C379-V383 VanDerWaalsContact O-CG2 3.31Å; C379-V383 WeakPolarHBondContact O-CG2 3.35Å; C379-V383 PolarHBondContact O-N 3.37Å; V383-S385 PolarHBondContact O-N 3.15Å; V383-A386 PolarHBondContact O-N 3.22Å; V383-M387 HydrophobicContact CG1-CE 3.46Å; V383-M387 VanDerWaalsContact CG1-CE 3.46Å; V383-M387 WeakPolarHBondContact O-CG 3.33Å; V383-M387 PolarHBondContact O-N 3.38Å
384T70.9Confident72.2Confident62 Ų6257.8 Ų57.838%0.3835%0.351SS..Hα-helixtrans-61.4-46177.5-57.50000110.9A380 E381 M387 H388A380-T384 VanDerWaalsContact O-CB 3.25Å; A380-T384 WeakPolarHBondContact O-CB 3.4Å; A380-T384 PolarHBondContact O-N 3.45Å; A380-T384 PolarHBondContact O-OG1 3.39Å; E381-T384 PolarHBondContact O-N 3.05Å; T384-M387 PolarHBondContact O-N 2.98Å; T384-H388 PolarHBondContact O-CD2 3.22Å; T384-H388 PolarHBondContact O-N 2.89Å
385S71.5Confident72.9Confident60 Ų6058.9 Ų58.942%0.4236%0.357SS..Hα-helixtrans-61-45.9174.5-1780000111.2E381 V383 M387 H388 C389E381-S385 WeakPolarHBondContact O-CA 3.31Å; E381-S385 WeakPolarHBondContact O-CB 3.38Å; E381-S385 PolarHBondContact O-N 3.28Å; V383-S385 PolarHBondContact O-N 3.15Å; S385-M387 VanDerWaalsContact C-N 3.31Å; S385-M387 PolarHBondContact O-N 2.97Å; S385-H388 PolarHBondContact O-N 3.41Å; S385-H388 VanDerWaalsContact O-N 3.12Å; S385-C389 VanDerWaalsContact O-CB 3.26Å; S385-C389 WeakPolarHBondContact O-CB 3.43Å; S385-C389 PolarHBondContact O-N 2.91Å; S385-C389 PolarHBondContact O-SG 3.45Å
386A74.1Confident73.9Confident6 Ų664 Ų645%0.0539%0.391CS..Hα-helixtrans-60.2-39.9176.300000112.3F355 A382 V383 G390 V391 L402F355-A386 HydrophobicContact CE2-CB 4.23Å; F355-A386 HydrophobicContact CZ-CB 4.21Å; A382-A386 WeakPolarHBondContact O-CB 3.3Å; A382-A386 PolarHBondContact O-N 3.36Å; V383-A386 PolarHBondContact O-N 3.22Å; A386-G390 PolarHBondContact O-N 3.11Å; A386-V391 HydrophobicContact CB-CB 4.09Å; A386-V391 HydrophobicContact CB-CG2 3.73Å; A386-V391 VanDerWaalsContact O-CB 3.27Å; A386-V391 WeakPolarHBondContact O-CB 3.26Å; A386-V391 VanDerWaalsContact O-CG2 3.31Å; A386-V391 WeakPolarHBondContact O-CG2 3.41Å; A386-V391 PolarHBondContact O-N 2.9Å; A386-L402 HydrophobicContact CB-CD2 3.62Å
387M77.7Confident75.1Confident25 Ų2568.4 Ų68.412%0.12341%0.408CS..Hα-helixtrans-65.7-41.8174.4-69.1-166.9-157.800111.8V383 T384 S385 L402 V406 F443V383-M387 HydrophobicContact CG1-CE 3.46Å; V383-M387 VanDerWaalsContact CG1-CE 3.46Å; V383-M387 WeakPolarHBondContact O-CG 3.33Å; V383-M387 PolarHBondContact O-N 3.38Å; T384-M387 PolarHBondContact O-N 2.98Å; S385-M387 VanDerWaalsContact C-N 3.31Å; S385-M387 PolarHBondContact O-N 2.97Å; M387-L402 HydrophobicContact CG-CD2 3.8Å; M387-L402 HydrophobicContact CG-CG 3.95Å; M387-V406 HydrophobicContact CE-CB 4.2Å; M387-V406 HydrophobicContact CE-CG1 4.02Å; M387-V406 HydrophobicContact CE-CG2 3.43Å; M387-V406 VanDerWaalsContact CE-CG2 3.43Å; M387-V406 HydrophobicContact SD-CG1 4.45Å; M387-V406 HydrophobicContact SD-CG2 4.18Å; M387-F443 HydrophobicContact CB-CE2 3.98Å; M387-F443 HydrophobicContact CB-CZ 4.06Å; M387-F443 HydrophobicContact SD-CD2 4.33Å; M387-F443 HydrophobicContact SD-CE1 4.32Å; M387-F443 HydrophobicContact SD-CE2 3.75Å; M387-F443 HydrophobicContact SD-CZ 3.75Å
388H78.7Confident76.1Confident124 Ų12471.3 Ų71.357%0.57442%0.415SS*.Hα-helixtrans-72.9-35.4178.8-74.8-57.4000113.9T384 S385 G390T384-H388 PolarHBondContact O-CD2 3.22Å; T384-H388 PolarHBondContact O-N 2.89Å; S385-H388 PolarHBondContact O-N 3.41Å; S385-H388 VanDerWaalsContact O-N 3.12Å; H388-G390 PolarHBondContact O-N 3.23Å
389C83.1Confident77.4Confident97 Ų9776.2 Ų76.266%0.65543%0.434SS*.THydrogen-bonded Turntrans-76.61.5178.9-67.80000113.2S385 V391S385-C389 VanDerWaalsContact O-CB 3.26Å; S385-C389 WeakPolarHBondContact O-CB 3.43Å; S385-C389 PolarHBondContact O-N 2.91Å; S385-C389 PolarHBondContact O-SG 3.45Å; C389-V391 VanDerWaalsContact C-N 3.29Å; C389-V391 HydrophobicContact CB-CG2 4.49Å; C389-V391 PolarHBondContact O-N 2.92Å
390G88.4Confident78.4Confident31 Ų3176.6 Ų76.632%0.3244%0.435SS..THydrogen-bonded Turntrans67.828.9179.100000113.3A386 H388 S392A386-G390 PolarHBondContact O-N 3.11Å; H388-G390 PolarHBondContact O-N 3.23Å; G390-S392 PolarHBondContact O-N 3.46Å; G390-S392 PolarHBondContact O-OG 3.36Å
391V83.8Confident79.5Confident48 Ų4880 Ų8029%0.29144%0.439SS..  trans-52.4130.1174.6173.80000108.3A386 C389 K401 L402A386-V391 HydrophobicContact CB-CB 4.09Å; A386-V391 HydrophobicContact CB-CG2 3.73Å; A386-V391 VanDerWaalsContact O-CB 3.27Å; A386-V391 WeakPolarHBondContact O-CB 3.26Å; A386-V391 VanDerWaalsContact O-CG2 3.31Å; A386-V391 WeakPolarHBondContact O-CG2 3.41Å; A386-V391 PolarHBondContact O-N 2.9Å; C389-V391 VanDerWaalsContact C-N 3.29Å; C389-V391 HydrophobicContact CB-CG2 4.49Å; C389-V391 PolarHBondContact O-N 2.92Å; V391-K401 CarbonylContact O-C 3.5Å; V391-L402 VanDerWaalsContact O-CB 3.29Å; V391-L402 WeakPolarHBondContact O-CB 3.34Å; V391-L402 PolarHBondContact O-N 3.31Å
392S84.1Confident80.4Confident56 Ų5675 Ų7539%0.39242%0.416SS..EExtended strand (participates in β ladder)trans-110.8137.3-179.3-60.10000110.5G390 V400G390-S392 PolarHBondContact O-N 3.46Å; G390-S392 PolarHBondContact O-OG 3.36Å; S392-V400 CarbonylContact C-O 3.57Å; S392-V400 WeakPolarHBondContact CA-O 3.22Å
393I84.1Confident81.3Confident41 Ų4177.1 Ų77.121%0.2142%0.42CS..EExtended strand (participates in β ladder)trans-92.5126.9173.3-57.8165.5000107.3V395 K399 V400 L402 A405I393-V395 PolarHBondContact O-N 2.93Å; I393-K399 CarbonylContact O-C 3.59Å; I393-K399 WeakPolarHBondContact O-CA 3.42Å; I393-V400 PolarHBondContact N-O 3.24Å; I393-V400 PolarHBondContact O-N 3.21Å; I393-L402 HydrophobicContact CD1-CD1 3.64Å; I393-L402 HydrophobicContact CG1-CD1 4.33Å; I393-A405 HydrophobicContact CD1-CB 3.75Å
394A81.6Confident82.1Confident58 Ų5880.1 Ų80.148%0.47943%0.43SS..EExtended strand (participates in β ladder)trans-72.2122.1169.800000110.2Q346Q346-A394 PolarHBondContact NE2-O 3.43Å
395V82.2Confident82.9Confident61 Ų6178 Ų7837%0.3742%0.419SS..EExtended strand (participates in β ladder)trans-108.1159.1167.6-640000108.4I393 R397 N398 V400I393-V395 PolarHBondContact O-N 2.93Å; V395-R397 PolarHBondContact O-N 3.24Å; V395-N398 HydrophobicContact CG2-CB 3.9Å; V395-N398 WeakPolarHBondContact CG2-O 3.37Å; V395-N398 PolarHBondContact N-O 2.89Å; V395-N398 PolarHBondContact O-N 3.41Å; V395-N398 VanDerWaalsContact O-N 3.07Å; V395-V400 HydrophobicContact CG1-CG2 4.14Å; V395-V400 HydrophobicContact CG2-CG2 3.76Å
396P71.2Confident83.6Confident124 Ų12475.9 Ų75.981%0.80540%0.404SS*.THydrogen-bonded Turntrans-50.9-19.2-169.2-31.936.6000116.9
397R79.2Confident84.1Confident229 Ų22978 Ų7886%0.86441%0.412SS*.THydrogen-bonded Turntrans-126.5-6179.9-62.9-176.7179.3173.7-0.8115.2V395V395-R397 PolarHBondContact O-N 3.24Å
398N84.8Confident84.4Confident122 Ų12281.1 Ų81.165%0.65243%0.429SS*.EExtended strand (participates in β ladder)trans-159.3170.5-170.9-84.1-45000112.9V395V395-N398 HydrophobicContact CG2-CB 3.9Å; V395-N398 WeakPolarHBondContact CG2-O 3.37Å; V395-N398 PolarHBondContact N-O 2.89Å; V395-N398 PolarHBondContact O-N 3.41Å; V395-N398 VanDerWaalsContact O-N 3.07Å
399K88.6Confident84.5Confident171 Ų17178.8 Ų78.874%0.74342%0.42SS*.EExtended strand (participates in β ladder)trans-103.8121.8164.9-70.8-178.4-177.5176.10109I393I393-K399 CarbonylContact O-C 3.59Å; I393-K399 WeakPolarHBondContact O-CA 3.42Å
400V86.8Confident84.5Confident34 Ų3474.8 Ų74.821%0.20639%0.391CS..EExtended strand (participates in β ladder)trans-104.9122.2176.9-179.40000108.3S392 I393 V395 L402 K404 A405S392-V400 CarbonylContact C-O 3.57Å; S392-V400 WeakPolarHBondContact CA-O 3.22Å; I393-V400 PolarHBondContact N-O 3.24Å; I393-V400 PolarHBondContact O-N 3.21Å; V395-V400 HydrophobicContact CG1-CG2 4.14Å; V395-V400 HydrophobicContact CG2-CG2 3.76Å; V400-L402 PolarHBondContact O-N 3.27Å; V400-K404 HydrophobicContact CG1-CB 3.88Å; V400-K404 HydrophobicContact CG1-CG 4.06Å; V400-A405 HydrophobicContact CG1-CB 4.07Å
401K90.9Very high84.1Confident127 Ų12776.1 Ų76.155%0.55239%0.391SS*.EExtended strand (participates in β ladder)trans-54.9135.8172.8-70-177.7178.3179.30109.2V391 Q403 K404 A405V391-K401 CarbonylContact O-C 3.5Å; K401-Q403 PolarHBondContact O-N 2.64Å; K401-Q403 VanDerWaalsContact O-N 3.16Å; K401-K404 HydrophobicContact CB-CB 4.36Å; K401-K404 CarbonylContact O-C 3.59Å; K401-K404 WeakPolarHBondContact O-CA 3.46Å; K401-K404 WeakPolarHBondContact O-CB 3.25Å; K401-K404 PolarHBondContact O-N 2.96Å; K401-A405 PolarHBondContact O-N 3.23Å
402L87.5Confident83.7Confident25 Ų2580.3 Ų80.313%0.13140%0.402CS..Hα-helixtrans-51.6-41.1179.3176.464.7000111.1A386 M387 V391 I393 V400 K404 A405 V406A386-L402 HydrophobicContact CB-CD2 3.62Å; M387-L402 HydrophobicContact CG-CD2 3.8Å; M387-L402 HydrophobicContact CG-CG 3.95Å; V391-L402 VanDerWaalsContact O-CB 3.29Å; V391-L402 WeakPolarHBondContact O-CB 3.34Å; V391-L402 PolarHBondContact O-N 3.31Å; I393-L402 HydrophobicContact CD1-CD1 3.64Å; I393-L402 HydrophobicContact CG1-CD1 4.33Å; V400-L402 PolarHBondContact O-N 3.27Å; L402-K404 VanDerWaalsContact C-N 3.29Å; L402-K404 PolarHBondContact O-N 3.24Å; L402-A405 PolarHBondContact O-N 2.94Å; L402-V406 HydrophobicContact CD1-CG2 4.19Å; L402-V406 HydrophobicContact CG-CG2 4.39Å; L402-V406 WeakPolarHBondContact O-CG2 3.45Å; L402-V406 PolarHBondContact O-N 3.38Å
403Q86.5Confident83.4Confident81 Ų8178 Ų7838%0.37939%0.385SS..Hα-helixtrans-54.8-44.1172.3-177.8177.119.900112.5K401 E407 F443K401-Q403 PolarHBondContact O-N 2.64Å; K401-Q403 VanDerWaalsContact O-N 3.16Å; Q403-E407 WeakPolarHBondContact O-CB 3.21Å; Q403-E407 PolarHBondContact O-N 3.31Å; Q403-F443 HydrophobicContact CG-CE1 4.05Å; Q403-F443 HydrophobicContact CG-CZ 4.01Å
404K88.5Confident82.8Confident100 Ų10084 Ų8444%0.43541%0.406SS..Hα-helixtrans-70.8-37.8178.6-17259.5177.9-179.80111.7V400 K401 L402 E407 I408V400-K404 HydrophobicContact CG1-CB 3.88Å; V400-K404 HydrophobicContact CG1-CG 4.06Å; K401-K404 HydrophobicContact CB-CB 4.36Å; K401-K404 CarbonylContact O-C 3.59Å; K401-K404 WeakPolarHBondContact O-CA 3.46Å; K401-K404 WeakPolarHBondContact O-CB 3.25Å; K401-K404 PolarHBondContact O-N 2.96Å; L402-K404 VanDerWaalsContact C-N 3.29Å; L402-K404 PolarHBondContact O-N 3.24Å; K404-E407 WeakPolarHBondContact CD-OE2 3.39Å; K404-E407 IonicContact NZ-OE2 2.85Å; K404-E407 PolarHBondContact NZ-OE2 2.88Å; K404-E407 PolarHBondContact O-N 3.37Å; K404-I408 HydrophobicContact CG-CD1 4.13Å; K404-I408 WeakPolarHBondContact O-CD1 3.31Å; K404-I408 VanDerWaalsContact O-CG1 3.22Å; K404-I408 WeakPolarHBondContact O-CG1 3.35Å; K404-I408 PolarHBondContact O-N 2.95Å
405A87Confident82Confident18 Ų1888.3 Ų88.315%0.14942%0.416CS..Hα-helixtrans-62.9-43.9174.500000111.6I393 V400 K401 L402 I408 I409I393-A405 HydrophobicContact CD1-CB 3.75Å; V400-A405 HydrophobicContact CG1-CB 4.07Å; K401-A405 PolarHBondContact O-N 3.23Å; L402-A405 PolarHBondContact O-N 2.94Å; A405-I408 PolarHBondContact O-N 2.93Å; A405-I409 VanDerWaalsContact O-CG1 3.29Å; A405-I409 WeakPolarHBondContact O-CG1 3.5Å; A405-I409 PolarHBondContact O-N 3.14Å
406V87.2Confident80.5Confident16 Ų1688.4 Ų88.410%0.09741%0.41CS..Hα-helixtrans-64.7-40.4176173.70000110.9M387 L402 I409 F410 W436 Y440M387-V406 HydrophobicContact CE-CB 4.2Å; M387-V406 HydrophobicContact CE-CG1 4.02Å; M387-V406 HydrophobicContact CE-CG2 3.43Å; M387-V406 VanDerWaalsContact CE-CG2 3.43Å; M387-V406 HydrophobicContact SD-CG1 4.45Å; M387-V406 HydrophobicContact SD-CG2 4.18Å; L402-V406 HydrophobicContact CD1-CG2 4.19Å; L402-V406 HydrophobicContact CG-CG2 4.39Å; L402-V406 WeakPolarHBondContact O-CG2 3.45Å; L402-V406 PolarHBondContact O-N 3.38Å; V406-I409 PolarHBondContact O-N 2.93Å; V406-F410 VanDerWaalsContact O-CB 3.24Å; V406-F410 WeakPolarHBondContact O-CB 3.32Å; V406-F410 PolarHBondContact O-N 3.06Å; V406-W436 HydrophobicContact CG1-CH2 4.48Å; V406-Y440 HydrophobicContact CG1-CD2 4.08Å; V406-Y440 HydrophobicContact CG1-CE2 4.12Å
407E85.1Confident79Confident49 Ų4987.7 Ų87.723%0.22940%0.403CS..Hα-helixtrans-61.7-42.2172.7174176.6-140.800112.1Q403 K404 F410 N411 Y440Q403-E407 WeakPolarHBondContact O-CB 3.21Å; Q403-E407 PolarHBondContact O-N 3.31Å; K404-E407 WeakPolarHBondContact CD-OE2 3.39Å; K404-E407 IonicContact NZ-OE2 2.85Å; K404-E407 PolarHBondContact NZ-OE2 2.88Å; K404-E407 PolarHBondContact O-N 3.37Å; E407-F410 PolarHBondContact O-N 3.38Å; E407-N411 WeakPolarHBondContact O-CB 3.33Å; E407-N411 VanDerWaalsContact O-CG 3.25Å; E407-N411 PolarHBondContact O-N 3.06Å; E407-N411 PolarHBondContact O-ND2 3.5Å; E407-Y440 WeakPolarHBondContact CA-OH 3.3Å; E407-Y440 WeakPolarHBondContact CB-OH 3.46Å; E407-Y440 VanDerWaalsContact CG-OH 3.32Å; E407-Y440 WeakPolarHBondContact CG-OH 3.26Å
408I82.6Confident77.9Confident92 Ų9281 Ų8147%0.47239%0.388SS..Hα-helixtrans-63.4-48.8176.3-70.4162.5000110.3K404 A405 F410 N411 W412K404-I408 HydrophobicContact CG-CD1 4.13Å; K404-I408 WeakPolarHBondContact O-CD1 3.31Å; K404-I408 VanDerWaalsContact O-CG1 3.22Å; K404-I408 WeakPolarHBondContact O-CG1 3.35Å; K404-I408 PolarHBondContact O-N 2.95Å; A405-I408 PolarHBondContact O-N 2.93Å; I408-F410 VanDerWaalsContact C-N 3.26Å; I408-F410 PolarHBondContact O-N 3.21Å; I408-N411 PolarHBondContact O-N 2.78Å; I408-W412 WeakPolarHBondContact O-CB 3.44Å; I408-W412 PolarHBondContact O-N 3.44Å
409I82.1Confident76.7Confident75 Ų7578.5 Ų78.539%0.38538%0.377SS..Hα-helixtrans-59.2-41.7177.3-67.4164.8000110.2A405 V406 S413 W436A405-I409 VanDerWaalsContact O-CG1 3.29Å; A405-I409 WeakPolarHBondContact O-CG1 3.5Å; A405-I409 PolarHBondContact O-N 3.14Å; V406-I409 PolarHBondContact O-N 2.93Å; I409-S413 WeakPolarHBondContact O-CB 3.48Å; I409-S413 PolarHBondContact O-N 3.07Å; I409-S413 PolarHBondContact O-OG 3.24Å; I409-W436 HydrophobicContact CG2-CZ2 4.26Å
410F82.3Confident75.3Confident12 Ų1278.4 Ų78.45%0.05338%0.377CS..Hα-helixtrans-65-48.4177.6-178.9-96.3000112.3V406 E407 I408 S413 R414 W436 C437 Y440V406-F410 VanDerWaalsContact O-CB 3.24Å; V406-F410 WeakPolarHBondContact O-CB 3.32Å; V406-F410 PolarHBondContact O-N 3.06Å; E407-F410 PolarHBondContact O-N 3.38Å; I408-F410 VanDerWaalsContact C-N 3.26Å; I408-F410 PolarHBondContact O-N 3.21Å; F410-S413 WeakPolarHBondContact CA-OG 3.27Å; F410-S413 PolarHBondContact O-N 3.49Å; F410-S413 PolarHBondContact O-OG 3.23Å; F410-R414 VanDerWaalsContact CE1-CD 3.49Å; F410-R414 HydrophobicContact CE1-CG 4.02Å; F410-R414 HydrophobicContact CZ-CG 4.13Å; F410-R414 PolarHBondContact O-N 3.44Å; F410-R414 VanDerWaalsContact O-N 3.07Å; F410-W436 AromaticContact CD2-NE1 3.64Å; F410-C437 HydrophobicContact CE2-CB 4.49Å; F410-Y440 HydrophobicContact CB-CD1 4.28Å; F410-Y440 HydrophobicContact CB-CD2 3.87Å; F410-Y440 HydrophobicContact CB-CE1 4.18Å; F410-Y440 HydrophobicContact CB-CE2 3.76Å; F410-Y440 HydrophobicContact CB-CG 4.12Å; F410-Y440 AromaticContact CD1-CD1 3.29Å; F410-Y440 HydrophobicContact CD1-CD1 3.29Å; F410-Y440 HydrophobicContact CD1-CD2 4.4Å; F410-Y440 AromaticContact CD1-CE1 3.1Å; F410-Y440 HydrophobicContact CD1-CE1 3.1Å; F410-Y440 HydrophobicContact CD1-CE2 4.27Å; F410-Y440 AromaticContact CD1-CG 3.95Å; F410-Y440 HydrophobicContact CD1-CG 3.95Å; F410-Y440 AromaticContact CD1-CZ 3.65Å; F410-Y440 AromaticContact CD2-CD1 3.52Å; F410-Y440 HydrophobicContact CD2-CD1 3.52Å; F410-Y440 AromaticContact CD2-CD2 3.97Å; F410-Y440 HydrophobicContact CD2-CD2 3.97Å; F410-Y440 HydrophobicContact CD2-CE1 4.16Å; F410-Y440 AromaticContact CD2-CG 3.39Å; F410-Y440 HydrophobicContact CD2-CG 3.39Å; F410-Y440 AromaticContact CE1-CD1 3.29Å; F410-Y440 HydrophobicContact CE1-CD1 3.29Å; F410-Y440 AromaticContact CE1-CE1 3.38Å; F410-Y440 HydrophobicContact CE1-CE1 3.38Å; F410-Y440 HydrophobicContact CE1-CG 4.21Å; F410-Y440 AromaticContact CE2-CD1 3.57Å; F410-Y440 HydrophobicContact CE2-CD1 3.57Å; F410-Y440 HydrophobicContact CE2-CE1 4.41Å; F410-Y440 AromaticContact CE2-CG 3.74Å; F410-Y440 HydrophobicContact CE2-CG 3.74Å; F410-Y440 AromaticContact CG-CD1 3.38Å; F410-Y440 HydrophobicContact CG-CD1 3.38Å; F410-Y440 AromaticContact CG-CD2 3.79Å; F410-Y440 HydrophobicContact CG-CD2 3.79Å; F410-Y440 AromaticContact CG-CE1 3.52Å; F410-Y440 HydrophobicContact CG-CE1 3.52Å; F410-Y440 AromaticContact CG-CE2 3.93Å; F410-Y440 HydrophobicContact CG-CE2 3.93Å; F410-Y440 AromaticContact CG-CG 3.51Å; F410-Y440 HydrophobicContact CG-CG 3.51Å; F410-Y440 AromaticContact CG-CZ 3.79Å; F410-Y440 AromaticContact CZ-CD1 3.45Å; F410-Y440 HydrophobicContact CZ-CD1 3.45Å; F410-Y440 VanDerWaalsContact CZ-CD1 3.45Å; F410-Y440 HydrophobicContact CZ-CE1 4.06Å; F410-Y440 HydrophobicContact CZ-CG 4.12Å
411N80.3Confident74.1Confident60 Ų6078.6 Ų78.632%0.32138%0.38SS..Hα-helixtrans-64.9-42.4178.8-71-19000111.3E407 I408 S413 R414 E415E407-N411 WeakPolarHBondContact O-CB 3.33Å; E407-N411 VanDerWaalsContact O-CG 3.25Å; E407-N411 PolarHBondContact O-N 3.06Å; E407-N411 PolarHBondContact O-ND2 3.5Å; I408-N411 PolarHBondContact O-N 2.78Å; N411-S413 VanDerWaalsContact C-N 3.3Å; N411-S413 PolarHBondContact O-N 3.32Å; N411-R414 WeakPolarHBondContact O-CA 3.34Å; N411-R414 WeakPolarHBondContact O-CB 3.46Å; N411-R414 PolarHBondContact O-N 3.45Å; N411-E415 PolarHBondContact O-N 3.04Å
412W76Confident72.5Confident136 Ų13675 Ų7552%0.51536%0.363SS..Hα-helixtrans-57.5-44.2173-176.271.6000111.2I408 R414 E415 Y416I408-W412 WeakPolarHBondContact O-CB 3.44Å; I408-W412 PolarHBondContact O-N 3.44Å; W412-R414 PolarHBondContact O-N 3.02Å; W412-E415 PolarHBondContact O-N 3.18Å; W412-Y416 AromaticContact CD2-CE2 3.9Å; W412-Y416 HydrophobicContact CD2-CE2 3.9Å; W412-Y416 AromaticContact CE2-CE2 3.59Å; W412-Y416 HydrophobicContact CE3-CE2 4.02Å; W412-Y416 AromaticContact CH2-CE2 3.61Å; W412-Y416 HydrophobicContact CH2-CE2 3.61Å; W412-Y416 AromaticContact CH2-CZ 3.94Å; W412-Y416 WeakPolarHBondContact CH2-OH 3.5Å; W412-Y416 AromaticContact CZ2-CE2 3.47Å; W412-Y416 HydrophobicContact CZ2-CE2 3.47Å; W412-Y416 VanDerWaalsContact CZ2-CE2 3.47Å; W412-Y416 AromaticContact CZ2-CZ 3.72Å; W412-Y416 WeakPolarHBondContact CZ2-OH 3.37Å; W412-Y416 AromaticContact CZ3-CE2 3.87Å; W412-Y416 HydrophobicContact CZ3-CE2 3.87Å; W412-Y416 WeakPolarHBondContact O-CD2 3.3Å; W412-Y416 PolarHBondContact O-N 3.08Å
413S76.3Confident71.2Confident6 Ų675.9 Ų75.94%0.04237%0.368CS..Hα-helixtrans-64.9-21.5175.173.60000114.2I409 F410 N411I409-S413 WeakPolarHBondContact O-CB 3.48Å; I409-S413 PolarHBondContact O-N 3.07Å; I409-S413 PolarHBondContact O-OG 3.24Å; F410-S413 WeakPolarHBondContact CA-OG 3.27Å; F410-S413 PolarHBondContact O-N 3.49Å; F410-S413 PolarHBondContact O-OG 3.23Å; N411-S413 VanDerWaalsContact C-N 3.3Å; N411-S413 PolarHBondContact O-N 3.32Å
414R72Confident70.3Confident169 Ų16979.7 Ų79.764%0.63839%0.385SS*.Hα-helixtrans-84.9-31.8174.3-78.6-16866.6-175.70.5113.3F410 N411 W412 Y416F410-R414 VanDerWaalsContact CE1-CD 3.49Å; F410-R414 HydrophobicContact CE1-CG 4.02Å; F410-R414 HydrophobicContact CZ-CG 4.13Å; F410-R414 PolarHBondContact O-N 3.44Å; F410-R414 VanDerWaalsContact O-N 3.07Å; N411-R414 WeakPolarHBondContact O-CA 3.34Å; N411-R414 WeakPolarHBondContact O-CB 3.46Å; N411-R414 PolarHBondContact O-N 3.45Å; W412-R414 PolarHBondContact O-N 3.02Å; R414-Y416 PolarHBondContact O-N 3.33Å
415E65.7Low68.9Low148 Ų14880.6 Ų80.669%0.69239%0.391SS*.Hα-helixtrans-73.2-13179.6-74.8177-168.800112.6N411 W412 T417N411-E415 PolarHBondContact O-N 3.04Å; W412-E415 PolarHBondContact O-N 3.18Å; E415-T417 VanDerWaalsContact C-N 3.33Å; E415-T417 PolarHBondContact O-N 2.99Å
416Y50Low67.8Low62 Ų6283.5 Ų83.524%0.24340%0.401CS..SBendtrans-59.699.3160.4-83.1-83000109.3W412 R414 T418 E425W412-Y416 AromaticContact CD2-CE2 3.9Å; W412-Y416 HydrophobicContact CD2-CE2 3.9Å; W412-Y416 AromaticContact CE2-CE2 3.59Å; W412-Y416 HydrophobicContact CE3-CE2 4.02Å; W412-Y416 AromaticContact CH2-CE2 3.61Å; W412-Y416 HydrophobicContact CH2-CE2 3.61Å; W412-Y416 AromaticContact CH2-CZ 3.94Å; W412-Y416 WeakPolarHBondContact CH2-OH 3.5Å; W412-Y416 AromaticContact CZ2-CE2 3.47Å; W412-Y416 HydrophobicContact CZ2-CE2 3.47Å; W412-Y416 VanDerWaalsContact CZ2-CE2 3.47Å; W412-Y416 AromaticContact CZ2-CZ 3.72Å; W412-Y416 WeakPolarHBondContact CZ2-OH 3.37Å; W412-Y416 AromaticContact CZ3-CE2 3.87Å; W412-Y416 HydrophobicContact CZ3-CE2 3.87Å; W412-Y416 WeakPolarHBondContact O-CD2 3.3Å; W412-Y416 PolarHBondContact O-N 3.08Å; R414-Y416 PolarHBondContact O-N 3.33Å; Y416-T418 PolarHBondContact O-N 3.02Å; Y416-E425 WeakPolarHBondContact CE1-OE2 3.3Å
417T39.2Very low66.5Low110 Ų11086.7 Ų86.768%0.67543%0.429SS*.SBendtrans-57.9106.9-173.148.20000109.5E415 S421E415-T417 VanDerWaalsContact C-N 3.33Å; E415-T417 PolarHBondContact O-N 2.99Å; T417-S421 VanDerWaalsContact O-CB 3.29Å; T417-S421 WeakPolarHBondContact O-CB 3.48Å; T417-S421 PolarHBondContact O-OG 2.83Å
418T57Low65.4Low89 Ų8985.2 Ų85.255%0.54643%0.425SS..SBendtrans78.6133.8-173.980.80000115Y416 K420 S421 Y422Y416-T418 PolarHBondContact O-N 3.02Å; T418-K420 PolarHBondContact O-N 3.49Å; T418-S421 PolarHBondContact O-N 2.79Å; T418-S421 PolarHBondContact OG1-N 2.94Å; T418-S421 PolarHBondContact OG1-OG 2.9Å; T418-Y422 PolarHBondContact O-N 3.3Å
419T58.5Low64.9Low68 Ų6884.5 Ų84.542%0.41742%0.423SS..Hα-helixtrans-45.7-35.8166.2-47.20000110.7S421 Y422 L423 F433T419-S421 PolarHBondContact O-N 3.36Å; T419-Y422 PolarHBondContact O-N 3.07Å; T419-L423 HydrophobicContact CG2-CD1 3.8Å; T419-L423 HydrophobicContact CG2-CG 4.1Å; T419-L423 WeakPolarHBondContact O-CB 3.39Å; T419-L423 WeakPolarHBondContact O-CG 3.14Å; T419-L423 PolarHBondContact O-N 3.29Å; T419-F433 HydrophobicContact CG2-CD1 3.83Å; T419-F433 HydrophobicContact CG2-CE1 4.14Å
420K59.9Low64.3Low169 Ų16983.8 Ų83.874%0.73543%0.425SS*.Hα-helixtrans-59.5-41.9178.5-164.1179.4-179.6-176.30113T418 L423 H424T418-K420 PolarHBondContact O-N 3.49Å; K420-L423 PolarHBondContact O-N 2.85Å; K420-H424 WeakPolarHBondContact O-CB 3.38Å; K420-H424 PolarHBondContact O-N 3.37Å
421S60.7Low63.8Low39 Ų3988.2 Ų88.227%0.27345%0.445SS..Hα-helixtrans-69.6-42.6178.6-58.10000111.9T417 T418 T419 L423 H424 E425T417-S421 VanDerWaalsContact O-CB 3.29Å; T417-S421 WeakPolarHBondContact O-CB 3.48Å; T417-S421 PolarHBondContact O-OG 2.83Å; T418-S421 PolarHBondContact O-N 2.79Å; T418-S421 PolarHBondContact OG1-N 2.94Å; T418-S421 PolarHBondContact OG1-OG 2.9Å; T419-S421 PolarHBondContact O-N 3.36Å; S421-L423 VanDerWaalsContact C-N 3.34Å; S421-L423 PolarHBondContact O-N 2.82Å; S421-H424 PolarHBondContact O-N 3.36Å; S421-E425 WeakPolarHBondContact O-CB 3.46Å; S421-E425 WeakPolarHBondContact O-CG 3.32Å; S421-E425 PolarHBondContact O-N 2.98Å
422Y58.6Low63.1Low52 Ų5286 Ų8620%0.20444%0.435CS..Hα-helixtrans-59.9-44.8173.3-178.9-91.3000111.6T418 T419 Q426 A428 F433T418-Y422 PolarHBondContact O-N 3.3Å; T419-Y422 PolarHBondContact O-N 3.07Å; Y422-Q426 HydrophobicContact CD2-CG 4.15Å; Y422-Q426 HydrophobicContact CE2-CG 3.98Å; Y422-Q426 VanDerWaalsContact O-CB 3.26Å; Y422-Q426 WeakPolarHBondContact O-CB 3.49Å; Y422-Q426 PolarHBondContact O-N 3.43Å; Y422-A428 HydrophobicContact CD1-CB 4.17Å; Y422-A428 HydrophobicContact CE1-CB 3.63Å; Y422-F433 HydrophobicContact CD1-CB 4.18Å; Y422-F433 AromaticContact CD1-CD2 3.57Å; Y422-F433 HydrophobicContact CD1-CD2 3.57Å; Y422-F433 HydrophobicContact CD1-CE2 4.24Å; Y422-F433 HydrophobicContact CD1-CG 4.09Å; Y422-F433 HydrophobicContact CD2-CD2 4.48Å; Y422-F433 HydrophobicContact CE1-CB 4.07Å; Y422-F433 AromaticContact CE1-CD2 3.6Å; Y422-F433 HydrophobicContact CE1-CD2 3.6Å; Y422-F433 HydrophobicContact CE1-CE2 4.49Å; Y422-F433 HydrophobicContact CE1-CG 4.23Å; Y422-F433 HydrophobicContact CE2-CD2 4.5Å; Y422-F433 HydrophobicContact CG-CD2 4.04Å; Y422-F433 HydrophobicContact CG-CE2 4.26Å
423L60.2Low62.8Low43 Ų4380.6 Ų80.623%0.22542%0.415CS..Hα-helixtrans-65.7-40.3178.9-65.4176000112.5T419 K420 S421 A427 A428 S430T419-L423 HydrophobicContact CG2-CD1 3.8Å; T419-L423 HydrophobicContact CG2-CG 4.1Å; T419-L423 WeakPolarHBondContact O-CB 3.39Å; T419-L423 WeakPolarHBondContact O-CG 3.14Å; T419-L423 PolarHBondContact O-N 3.29Å; K420-L423 PolarHBondContact O-N 2.85Å; S421-L423 VanDerWaalsContact C-N 3.34Å; S421-L423 PolarHBondContact O-N 2.82Å; L423-A427 WeakPolarHBondContact O-CA 2.94Å; L423-A427 PolarHBondContact O-N 3.25Å; L423-A428 HydrophobicContact CD2-CB 4.28Å; L423-A428 WeakPolarHBondContact CD2-O 3.12Å; L423-A428 PolarHBondContact O-N 2.69Å; L423-S430 VanDerWaalsContact CD2-CA 3.45Å
424H66.1Low62.7Low161 Ų16183.8 Ų83.875%0.74544%0.437SS*.Hα-helixtrans-70.2-45.1179.8-173.7-87.6000112.1K420 S421K420-H424 WeakPolarHBondContact O-CB 3.38Å; K420-H424 PolarHBondContact O-N 3.37Å; S421-H424 PolarHBondContact O-N 3.36Å
425E60.3Low62.9Low119 Ų11977.7 Ų77.756%0.55642%0.42SS*.Hα-helixtrans-77.6-35.3-177.1-72.2-178.3-175.400113.4Y416 S421Y416-E425 WeakPolarHBondContact CE1-OE2 3.3Å; S421-E425 WeakPolarHBondContact O-CB 3.46Å; S421-E425 WeakPolarHBondContact O-CG 3.32Å; S421-E425 PolarHBondContact O-N 2.98Å
426Q62.7Low63.2Low78 Ų7873.6 Ų73.636%0.36440%0.398SS..Hα-helixtrans-96.72.2-175.1-62.8-66.1-25.400113.7Y422 A428Y422-Q426 HydrophobicContact CD2-CG 4.15Å; Y422-Q426 HydrophobicContact CE2-CG 3.98Å; Y422-Q426 VanDerWaalsContact O-CB 3.26Å; Y422-Q426 WeakPolarHBondContact O-CB 3.49Å; Y422-Q426 PolarHBondContact O-N 3.43Å; Q426-A428 HydrophobicContact CB-CB 4.06Å; Q426-A428 PolarHBondContact O-N 3.3Å
427A60.2Low64.6Low83 Ų8372 Ų7269%0.68640%0.395SS*.THydrogen-bonded Turntrans43.937.6-169.400000111.5L423L423-A427 WeakPolarHBondContact O-CA 2.94Å; L423-A427 PolarHBondContact O-N 3.25Å
428A62.3Low66.3Low18 Ų1875.9 Ų75.915%0.14940%0.398CS..  trans-90.3147.7-176.600000108.9Y422 L423 Q426Y422-A428 HydrophobicContact CD1-CB 4.17Å; Y422-A428 HydrophobicContact CE1-CB 3.63Å; L423-A428 HydrophobicContact CD2-CB 4.28Å; L423-A428 WeakPolarHBondContact CD2-O 3.12Å; L423-A428 PolarHBondContact O-N 2.69Å; Q426-A428 HydrophobicContact CB-CB 4.06Å; Q426-A428 PolarHBondContact O-N 3.3Å
429D73Confident67.2Low77 Ų7778.1 Ų78.141%0.41240%0.402SS..  trans-75.8139.9169.8-179.93000110H431 A432 F433D429-H431 PolarHBondContact O-N 2.98Å; D429-H431 VanDerWaalsContact O-N 3.16Å; D429-H431 PolarHBondContact OD1-N 2.92Å; D429-H431 WeakPolarHBondContact OD2-CB 3.49Å; D429-A432 HydrophobicContact CB-CB 4.34Å; D429-A432 VanDerWaalsContact O-CB 3.31Å; D429-A432 WeakPolarHBondContact O-CB 3.31Å; D429-A432 PolarHBondContact O-N 2.91Å; D429-F433 PolarHBondContact O-N 3.01Å
430S69.9Low68.2Low61 Ų6175.6 Ų75.643%0.42739%0.385SS..Hα-helixtrans-47.6-38.7170.664.10000112.3L423 C434L423-S430 VanDerWaalsContact CD2-CA 3.45Å; S430-C434 PolarHBondContact O-N 3.41Å; S430-C434 PolarHBondContact O-SG 3.25Å
431H69.9Low69Low104 Ų10471.2 Ų71.248%0.48137%0.372SS..Hα-helixtrans-67.4-41178.8-175.9-105.3000112D429 C434 C435D429-H431 PolarHBondContact O-N 2.98Å; D429-H431 VanDerWaalsContact O-N 3.16Å; D429-H431 PolarHBondContact OD1-N 2.92Å; D429-H431 WeakPolarHBondContact OD2-CB 3.49Å; H431-C434 WeakPolarHBondContact O-CB 3.32Å; H431-C434 PolarHBondContact O-N 2.93Å; H431-C435 VanDerWaalsContact CE1-SG 3.52Å; H431-C435 WeakPolarHBondContact O-CB 3.42Å; H431-C435 PolarHBondContact O-N 2.94Å; H431-C435 PolarHBondContact O-SG 3.46Å
432A65.6Low69.6Low13 Ų1372.3 Ų72.311%0.10738%0.379CS..Hα-helixtrans-60.3-47.7177.700000112M331 D429 C434 C435 W436M331-A432 VanDerWaalsContact CE-CA 3.47Å; M331-A432 HydrophobicContact CE-CB 3.49Å; M331-A432 VanDerWaalsContact CE-CB 3.49Å; M331-A432 VanDerWaalsContact CE-O 3.27Å; M331-A432 WeakPolarHBondContact CE-O 3.48Å; M331-A432 HydrophobicContact CG-CB 3.81Å; M331-A432 HydrophobicContact SD-CB 3.28Å; M331-A432 WeakPolarHBondContact SD-CB 3.32Å; D429-A432 HydrophobicContact CB-CB 4.34Å; D429-A432 VanDerWaalsContact O-CB 3.31Å; D429-A432 WeakPolarHBondContact O-CB 3.31Å; D429-A432 PolarHBondContact O-N 2.91Å; A432-C434 VanDerWaalsContact C-N 3.33Å; A432-C434 PolarHBondContact O-N 3.47Å; A432-C435 PolarHBondContact O-N 2.69Å; A432-W436 PolarHBondContact O-N 3.22Å
433F70.9Confident70.4Confident23 Ų2371.8 Ų71.810%0.10138%0.378CS..Hα-helixtrans-61.6-41.1174.9-178.3-101.6000112.1T419 Y422 D429 C435 W436 C437T419-F433 HydrophobicContact CG2-CD1 3.83Å; T419-F433 HydrophobicContact CG2-CE1 4.14Å; Y422-F433 HydrophobicContact CD1-CB 4.18Å; Y422-F433 AromaticContact CD1-CD2 3.57Å; Y422-F433 HydrophobicContact CD1-CD2 3.57Å; Y422-F433 HydrophobicContact CD1-CE2 4.24Å; Y422-F433 HydrophobicContact CD1-CG 4.09Å; Y422-F433 HydrophobicContact CD2-CD2 4.48Å; Y422-F433 HydrophobicContact CE1-CB 4.07Å; Y422-F433 AromaticContact CE1-CD2 3.6Å; Y422-F433 HydrophobicContact CE1-CD2 3.6Å; Y422-F433 HydrophobicContact CE1-CE2 4.49Å; Y422-F433 HydrophobicContact CE1-CG 4.23Å; Y422-F433 HydrophobicContact CE2-CD2 4.5Å; Y422-F433 HydrophobicContact CG-CD2 4.04Å; Y422-F433 HydrophobicContact CG-CE2 4.26Å; D429-F433 PolarHBondContact O-N 3.01Å; F433-C435 PolarHBondContact O-N 3.37Å; F433-W436 PolarHBondContact O-N 3.09Å; F433-C437 WeakPolarHBondContact O-CB 3.28Å; F433-C437 PolarHBondContact O-N 3.33Å; F433-C437 PolarHBondContact O-SG 3.43Å
434C73.7Confident71.2Confident73 Ų7378.1 Ų78.149%0.49340%0.399SS..Hα-helixtrans-62.6-41.3175.3-70.70000112.3S430 H431 A432 C437 R438S430-C434 PolarHBondContact O-N 3.41Å; S430-C434 PolarHBondContact O-SG 3.25Å; H431-C434 WeakPolarHBondContact O-CB 3.32Å; H431-C434 PolarHBondContact O-N 2.93Å; A432-C434 VanDerWaalsContact C-N 3.33Å; A432-C434 PolarHBondContact O-N 3.47Å; C434-C437 PolarHBondContact O-N 3.26Å; C434-R438 WeakPolarHBondContact O-CB 3.47Å; C434-R438 PolarHBondContact O-N 3.48Å
435C76.3Confident71.6Confident42 Ų4275.2 Ų75.228%0.28439%0.392SS..Hα-helixtrans-62.8-45.7176.2-78.60000111.8M331 H431 A432 F433 R438 Q439M331-C435 HydrophobicContact CE-CB 4.35Å; H431-C435 VanDerWaalsContact CE1-SG 3.52Å; H431-C435 WeakPolarHBondContact O-CB 3.42Å; H431-C435 PolarHBondContact O-N 2.94Å; H431-C435 PolarHBondContact O-SG 3.46Å; A432-C435 PolarHBondContact O-N 2.69Å; F433-C435 PolarHBondContact O-N 3.37Å; C435-R438 PolarHBondContact O-N 3.32Å; C435-Q439 WeakPolarHBondContact O-CG 3.49Å; C435-Q439 PolarHBondContact O-N 2.83Å
436W72.5Confident72Confident61 Ų6174.9 Ų74.923%0.23139%0.391CS..Hα-helixtrans-57.2-49.1173.8177-113.2000111.5V406 I409 F410 A432 F433 R438 Q439 Y440V406-W436 HydrophobicContact CG1-CH2 4.48Å; I409-W436 HydrophobicContact CG2-CZ2 4.26Å; F410-W436 AromaticContact CD2-NE1 3.64Å; A432-W436 PolarHBondContact O-N 3.22Å; F433-W436 PolarHBondContact O-N 3.09Å; W436-R438 PolarHBondContact O-N 3.48Å; W436-Q439 PolarHBondContact O-N 3.43Å; W436-Y440 PolarHBondContact O-N 3.49Å
437C78.5Confident71.3Confident28 Ų2876.4 Ų76.419%0.18941%0.407CS..Hα-helixtrans-59.8-44.1176.9-69.10000112.7F410 F433 C434 Y440 V441F410-C437 HydrophobicContact CE2-CB 4.49Å; F433-C437 WeakPolarHBondContact O-CB 3.28Å; F433-C437 PolarHBondContact O-N 3.33Å; F433-C437 PolarHBondContact O-SG 3.43Å; C434-C437 PolarHBondContact O-N 3.26Å; C437-Y440 PolarHBondContact O-N 3.3Å; C437-V441 WeakPolarHBondContact O-CB 3.47Å; C437-V441 VanDerWaalsContact O-CG2 3.27Å; C437-V441 WeakPolarHBondContact O-CG2 3.34Å; C437-V441 PolarHBondContact O-N 2.99Å
438R75.9Confident70.9Confident192 Ų19283.4 Ų83.473%0.72542%0.416SS*.Hα-helixtrans-64-44.1179.1-171.8177.2-178.5-1770.4111.6C434 C435 W436 V441 C442C434-R438 WeakPolarHBondContact O-CB 3.47Å; C434-R438 PolarHBondContact O-N 3.48Å; C435-R438 PolarHBondContact O-N 3.32Å; W436-R438 PolarHBondContact O-N 3.48Å; R438-V441 PolarHBondContact O-N 3Å; R438-C442 WeakPolarHBondContact O-CB 3.43Å; R438-C442 PolarHBondContact O-N 3.48Å; R438-C442 PolarHBondContact O-SG 3.43Å
439Q75.7Confident70.1Confident136 Ų13690.8 Ų90.864%0.63645%0.447SS*.Hα-helixtrans-63.9-44.7178.4-74.7-177.90.600111.8C435 W436 C442 F443C435-Q439 WeakPolarHBondContact O-CG 3.49Å; C435-Q439 PolarHBondContact O-N 2.83Å; W436-Q439 PolarHBondContact O-N 3.43Å; Q439-C442 PolarHBondContact O-N 2.95Å; Q439-F443 WeakPolarHBondContact O-CB 3.26Å; Q439-F443 PolarHBondContact O-N 3.43Å
440Y78.6Confident68.6Low16 Ų1698 Ų986%0.06347%0.469CS..Hα-helixtrans-65-41.8177.7-176-94.9000112.7V406 E407 F410 W436 C437 F443 R444V406-Y440 HydrophobicContact CG1-CD2 4.08Å; V406-Y440 HydrophobicContact CG1-CE2 4.12Å; E407-Y440 WeakPolarHBondContact CA-OH 3.3Å; E407-Y440 WeakPolarHBondContact CB-OH 3.46Å; E407-Y440 VanDerWaalsContact CG-OH 3.32Å; E407-Y440 WeakPolarHBondContact CG-OH 3.26Å; F410-Y440 HydrophobicContact CB-CD1 4.28Å; F410-Y440 HydrophobicContact CB-CD2 3.87Å; F410-Y440 HydrophobicContact CB-CE1 4.18Å; F410-Y440 HydrophobicContact CB-CE2 3.76Å; F410-Y440 HydrophobicContact CB-CG 4.12Å; F410-Y440 AromaticContact CD1-CD1 3.29Å; F410-Y440 HydrophobicContact CD1-CD1 3.29Å; F410-Y440 HydrophobicContact CD1-CD2 4.4Å; F410-Y440 AromaticContact CD1-CE1 3.1Å; F410-Y440 HydrophobicContact CD1-CE1 3.1Å; F410-Y440 HydrophobicContact CD1-CE2 4.27Å; F410-Y440 AromaticContact CD1-CG 3.95Å; F410-Y440 HydrophobicContact CD1-CG 3.95Å; F410-Y440 AromaticContact CD1-CZ 3.65Å; F410-Y440 AromaticContact CD2-CD1 3.52Å; F410-Y440 HydrophobicContact CD2-CD1 3.52Å; F410-Y440 AromaticContact CD2-CD2 3.97Å; F410-Y440 HydrophobicContact CD2-CD2 3.97Å; F410-Y440 HydrophobicContact CD2-CE1 4.16Å; F410-Y440 AromaticContact CD2-CG 3.39Å; F410-Y440 HydrophobicContact CD2-CG 3.39Å; F410-Y440 AromaticContact CE1-CD1 3.29Å; F410-Y440 HydrophobicContact CE1-CD1 3.29Å; F410-Y440 AromaticContact CE1-CE1 3.38Å; F410-Y440 HydrophobicContact CE1-CE1 3.38Å; F410-Y440 HydrophobicContact CE1-CG 4.21Å; F410-Y440 AromaticContact CE2-CD1 3.57Å; F410-Y440 HydrophobicContact CE2-CD1 3.57Å; F410-Y440 HydrophobicContact CE2-CE1 4.41Å; F410-Y440 AromaticContact CE2-CG 3.74Å; F410-Y440 HydrophobicContact CE2-CG 3.74Å; F410-Y440 AromaticContact CG-CD1 3.38Å; F410-Y440 HydrophobicContact CG-CD1 3.38Å; F410-Y440 AromaticContact CG-CD2 3.79Å; F410-Y440 HydrophobicContact CG-CD2 3.79Å; F410-Y440 AromaticContact CG-CE1 3.52Å; F410-Y440 HydrophobicContact CG-CE1 3.52Å; F410-Y440 AromaticContact CG-CE2 3.93Å; F410-Y440 HydrophobicContact CG-CE2 3.93Å; F410-Y440 AromaticContact CG-CG 3.51Å; F410-Y440 HydrophobicContact CG-CG 3.51Å; F410-Y440 AromaticContact CG-CZ 3.79Å; F410-Y440 AromaticContact CZ-CD1 3.45Å; F410-Y440 HydrophobicContact CZ-CD1 3.45Å; F410-Y440 VanDerWaalsContact CZ-CD1 3.45Å; F410-Y440 HydrophobicContact CZ-CE1 4.06Å; F410-Y440 HydrophobicContact CZ-CG 4.12Å; W436-Y440 PolarHBondContact O-N 3.49Å; C437-Y440 PolarHBondContact O-N 3.3Å; Y440-F443 WeakPolarHBondContact O-CB 3.38Å; Y440-F443 PolarHBondContact O-N 2.91Å; Y440-R444 PolarHBondContact O-N 3.46Å
441V76.5Confident67.3Low77 Ų77100.3 Ų100.347%0.46748%0.484SS..Hα-helixtrans-63.1-46.1175.6170.80000110.7C437 R438 F443 R444 T445C437-V441 WeakPolarHBondContact O-CB 3.47Å; C437-V441 VanDerWaalsContact O-CG2 3.27Å; C437-V441 WeakPolarHBondContact O-CG2 3.34Å; C437-V441 PolarHBondContact O-N 2.99Å; R438-V441 PolarHBondContact O-N 3Å; V441-F443 PolarHBondContact O-N 3.34Å; V441-R444 PolarHBondContact O-N 3.31Å; V441-T445 HydrophobicContact CG1-CG2 4.22Å; V441-T445 WeakPolarHBondContact O-CG2 3.03Å; V441-T445 PolarHBondContact O-N 3Å; V441-T445 PolarHBondContact O-OG1 2.89Å
442C75.1Confident66Low61 Ų61100.4 Ų100.441%0.41250%0.504SS..Hα-helixtrans-58.2-38.1174.5-73.90000112.1R438 Q439 Q446R438-C442 WeakPolarHBondContact O-CB 3.43Å; R438-C442 PolarHBondContact O-N 3.48Å; R438-C442 PolarHBondContact O-SG 3.43Å; Q439-C442 PolarHBondContact O-N 2.95Å; C442-Q446 WeakPolarHBondContact O-CG 3.44Å; C442-Q446 PolarHBondContact O-N 3.34Å
443F74.6Confident65.2Low42 Ų42105.9 Ų105.918%0.18454%0.535CS..Hα-helixtrans-65.7-43.9175.6170.7-98000112.1M387 Q403 Q439 Y440 V441M387-F443 HydrophobicContact CB-CE2 3.98Å; M387-F443 HydrophobicContact CB-CZ 4.06Å; M387-F443 HydrophobicContact SD-CD2 4.33Å; M387-F443 HydrophobicContact SD-CE1 4.32Å; M387-F443 HydrophobicContact SD-CE2 3.75Å; M387-F443 HydrophobicContact SD-CZ 3.75Å; Q403-F443 HydrophobicContact CG-CE1 4.05Å; Q403-F443 HydrophobicContact CG-CZ 4.01Å; Q439-F443 WeakPolarHBondContact O-CB 3.26Å; Q439-F443 PolarHBondContact O-N 3.43Å; Y440-F443 WeakPolarHBondContact O-CB 3.38Å; Y440-F443 PolarHBondContact O-N 2.91Å; V441-F443 PolarHBondContact O-N 3.34Å
444R77Confident63.9Low176 Ų176113.3 Ų113.366%0.66457%0.57SS**Hα-helixtrans-70.2-32-179.2-165.4-176.9-178.1-178.53.3113Y440 V441Y440-R444 PolarHBondContact O-N 3.46Å; V441-R444 PolarHBondContact O-N 3.31Å
445T74.5Confident62.7Low99 Ų99120.7 Ų120.761%0.60759%0.588SS**Hα-helixtrans-90.1-6.5-175.157.90000114.3V441 P447V441-T445 HydrophobicContact CG1-CG2 4.22Å; V441-T445 WeakPolarHBondContact O-CG2 3.03Å; V441-T445 PolarHBondContact O-N 3Å; V441-T445 PolarHBondContact O-OG1 2.89Å; T445-P447 WeakPolarHBondContact O-CD 3.28Å
446Q68.4Low61.2Low113 Ų113122.4 Ų122.453%0.52860%0.598SS.*SBendtrans-67.2123.5174.6-85-177.321.400110.8C442 R448C442-Q446 WeakPolarHBondContact O-CG 3.44Å; C442-Q446 PolarHBondContact O-N 3.34Å; Q446-R448 PolarHBondContact O-N 3.45Å
447P49.3Very low60.2Low109 Ų109124 Ų12471%0.70862%0.617SS**  trans-61.9134.4178.9-1221.6000110.4T445 H449T445-P447 WeakPolarHBondContact O-CD 3.28Å; P447-H449 PolarHBondContact O-N 3.02Å
448R51.5Low58.7Low230 Ų230126.7 Ų126.787%0.86864%0.641SS**  trans-67.573.8166.7-69.5-179.2175.7170.6-0.6109.7Q446Q446-R448 PolarHBondContact O-N 3.45Å
449H46Very low57.2Low173 Ų173120.4 Ų120.480%0.80163%0.63SS**  trans-113.9108.1169.4-101-84.3000110.7P447P447-H449 PolarHBondContact O-N 3.02Å
450R41.4Very low55.9Low230 Ų230115.4 Ų115.487%0.86861%0.61SS**  trans-52.3159.4158.3-80.2174.8169.1166.6-4.9109.9
451S41.6Very low54.2Low108 Ų108122.6 Ų122.676%0.75564%0.638SS**SBendtrans76122.9169.541.30000117.5V453S451-V453 PolarHBondContact O-N 2.87Å
452A41.7Very low52.7Low107 Ų107123.2 Ų123.288%0.88465%0.645SS**  trans-59.798.317300000110.9
453V50.5Low51.6Low127 Ų127129 Ų12977%0.7766%0.658SS**  trans-139127.1159.7-176.40000106.1S451S451-V453 PolarHBondContact O-N 2.87Å
454E42.5Very low50.4Low180 Ų180135.1 Ų135.184%0.84168%0.68SS**  trans-14.5118.5-175.5-64.3174.6158.200117P456E454-P456 VanDerWaalsContact O-CD 3.3Å; E454-P456 WeakPolarHBondContact O-CD 3.27Å
455R47.7Very low49.4Very low227 Ų227131 Ų13186%0.85767%0.674SS**PPolyproline II helixtrans-62.1118.9163.4-97-177.8-178142.61.5108.3
456P45.3Very low48.5Very low78 Ų78129.5 Ų129.551%0.50668%0.678SS.*PPolyproline II helixtrans-69.5145.4167.232.2-33.5000108.4E454 A458 S460E454-P456 VanDerWaalsContact O-CD 3.3Å; E454-P456 WeakPolarHBondContact O-CD 3.27Å; P456-A458 PolarHBondContact O-N 3.28Å; P456-S460 WeakPolarHBondContact CB-OG 3.48Å
457P51.4Low48Very low96 Ų96131.6 Ų131.662%0.62369%0.688SS**PPolyproline II helixtrans-56.2142.1-178.719.9-30000110.2A459 S460P457-A459 PolarHBondContact O-N 3.06Å; P457-S460 WeakPolarHBondContact O-CB 3.34Å; P457-S460 PolarHBondContact O-N 3.08Å; P457-S460 PolarHBondContact O-OG 2.88Å
458A47Very low48.3Very low84 Ų84136.4 Ų136.469%0.69469%0.692SS**Hα-helixtrans-51.1-24-17800000113.6P456 S460 Y461P456-A458 PolarHBondContact O-N 3.28Å; A458-S460 VanDerWaalsContact C-N 3.28Å; A458-S460 PolarHBondContact O-N 3.5Å; A458-Y461 PolarHBondContact O-N 3.3Å
459A45.4Very low48.9Very low60 Ų60129.7 Ų129.750%0.49668%0.678SS.*Hα-helixtrans-60.7-29172.900000114.5P457 R463P457-A459 PolarHBondContact O-N 3.06Å; A459-R463 PolarHBondContact O-N 3.09Å
460S49.1Very low49.9Very low31 Ų31126.1 Ų126.122%0.21767%0.668CS.*Hα-helixtrans-79.9-23.4-179.770.20000113.7P456 P457 A458 R464P456-S460 WeakPolarHBondContact CB-OG 3.48Å; P457-S460 WeakPolarHBondContact O-CB 3.34Å; P457-S460 PolarHBondContact O-N 3.08Å; P457-S460 PolarHBondContact O-OG 2.88Å; A458-S460 VanDerWaalsContact C-N 3.28Å; A458-S460 PolarHBondContact O-N 3.5Å; S460-R464 PolarHBondContact O-N 3Å; S460-R464 PolarHBondContact O-NE 3.35Å
461Y42.2Very low51.3Low167 Ų167123 Ų12366%0.65566%0.664SS**Hα-helixtrans-76.3-44.2175.8-173.2-96.7000110.4A458 R463 R464 V465A458-Y461 PolarHBondContact O-N 3.3Å; Y461-R463 VanDerWaalsContact C-N 3.29Å; Y461-R463 PolarHBondContact O-N 2.08Å; Y461-R464 PolarHBondContact O-N 2.74Å; Y461-V465 HydrophobicContact CD1-CG2 4.2Å; Y461-V465 HydrophobicContact CE1-CG2 3.86Å; Y461-V465 HydrophobicContact CE2-CG2 4.38Å; Y461-V465 WeakPolarHBondContact O-CG2 3.27Å; Y461-V465 PolarHBondContact O-N 2.94Å; Y461-V465 VanDerWaalsContact O-N 3.16Å
462C45.1Very low52.8Low90 Ų90121.2 Ų121.261%0.60865%0.645SS**Hα-helixtrans-62.7-34.2176.6-64.80000112.9G466C462-G466 PolarHBondContact O-N 3.44Å
463R50.5Low54.7Low181 Ų181117.6 Ų117.668%0.68362%0.618SS**Hα-helixtrans-67.1-42175.5-111-175.9-91.6179.3-8.3112.8A459 Y461A459-R463 PolarHBondContact O-N 3.09Å; Y461-R463 VanDerWaalsContact C-N 3.29Å; Y461-R463 PolarHBondContact O-N 2.08Å
464R50.6Low56.4Low172 Ų172113.3 Ų113.365%0.64960%0.599SS**Hα-helixtrans-74.3-26-178.7-80.2-174.2-82.3-168-5.4114.6S460 Y461S460-R464 PolarHBondContact O-N 3Å; S460-R464 PolarHBondContact O-NE 3.35Å; Y461-R464 PolarHBondContact O-N 2.74Å
465V55Low58.4Low90 Ų90117.2 Ų117.255%0.54561%0.606SS.*Hα-helixtrans-84.4-20.6178.6179.50000112Y461Y461-V465 HydrophobicContact CD1-CG2 4.2Å; Y461-V465 HydrophobicContact CE1-CG2 3.86Å; Y461-V465 HydrophobicContact CE2-CG2 4.38Å; Y461-V465 WeakPolarHBondContact O-CG2 3.27Å; Y461-V465 PolarHBondContact O-N 2.94Å; Y461-V465 VanDerWaalsContact O-N 3.16Å
466G56.3Low60.4Low66 Ų66110.1 Ų110.168%0.6860%0.604SS**SBendtrans-81.6-11.2-178.200000116.3C462C462-G466 PolarHBondContact O-N 3.44Å
467E57.1Low62.1Low157 Ų157112.8 Ų112.873%0.73461%0.611SS**SBendtrans-106.1-8.7-169.2-71176.4-178.200114.9
468R56.7Low63.5Low211 Ų211114.8 Ų114.880%0.79662%0.622SS**SBendtrans-102.2126.3176.2-70.9-173.7179.7-174.9-0.7110.3V470R468-V470 PolarHBondContact O-N 3.44Å
469P63.3Low65.3Low88 Ų88114 Ų11457%0.57161%0.608SS**  trans-58.3128.2172.824.5-31.5000108.8Q471P469-Q471 PolarHBondContact O-N 3.16Å
470V67Low67.1Low98 Ų98120.1 Ų120.159%0.59463%0.627SS**  trans-71.5114.8171.9177.40000106.5R468 L472 Y497R468-V470 PolarHBondContact O-N 3.44Å; V470-L472 HydrophobicContact CG1-CD2 4.33Å; V470-L472 PolarHBondContact O-N 2.63Å; V470-Y497 HydrophobicContact CB-CE1 4.29Å
471Q72Confident68.8Low166 Ų166121.6 Ų121.678%0.77663%0.632SS**  trans-64.9109173.9-175.2175.22.100108.7P469 G473P469-Q471 PolarHBondContact O-N 3.16Å; Q471-G473 WeakPolarHBondContact CG-O 3.23Å; Q471-G473 PolarHBondContact NE2-O 2.96Å
472L72.7Confident70.7Confident69 Ų69118.2 Ų118.236%0.36163%0.625SS.*  trans-97.1104.8173.4-70.2172.1000108.1V470 L481 Y497V470-L472 HydrophobicContact CG1-CD2 4.33Å; V470-L472 PolarHBondContact O-N 2.63Å; L472-L481 HydrophobicContact CD1-CD2 3.85Å; L472-L481 HydrophobicContact CD2-CD2 4.47Å; L472-Y497 HydrophobicContact CD1-CD1 3.79Å; L472-Y497 HydrophobicContact CD1-CD2 4.19Å; L472-Y497 HydrophobicContact CD1-CE1 3.58Å; L472-Y497 HydrophobicContact CD1-CE2 3.98Å; L472-Y497 HydrophobicContact CD1-CG 4.12Å; L472-Y497 HydrophobicContact CD2-CE1 4.32Å; L472-Y497 HydrophobicContact CG-CE1 4.15Å
473G81.4Confident72.3Confident32 Ų32121 Ų12133%0.3363%0.629SS.*  trans89178.6179.700000115.5Q471Q471-G473 WeakPolarHBondContact CG-O 3.23Å; Q471-G473 PolarHBondContact NE2-O 2.96Å
474G86.5Confident73.5Confident36 Ų36114.1 Ų114.137%0.37161%0.609SS.*  trans-153.5171.917900000109.7G476 M477G474-G476 PolarHBondContact O-N 3.32Å; G474-M477 WeakPolarHBondContact O-CB 3.37Å; G474-M477 PolarHBondContact O-N 2.84Å
475R84.2Confident74.6Confident262 Ų262108.1 Ų108.199%0.98959%0.589SS**THydrogen-bonded Turntrans-55.8123.5-177.4-168.2177.3-176.7-170.6-0.1110.7
476G88.8Confident75.8Confident78 Ų78107.4 Ų107.480%0.80458%0.582SS**THydrogen-bonded Turntrans80.711.9-178.800000115.4G474G474-G476 PolarHBondContact O-N 3.32Å
477M82Confident76.8Confident134 Ų134105.9 Ų105.966%0.6656%0.561SS**  trans-103.3126.3175.2-64.5-72.8-169.900110.6G474G474-M477 WeakPolarHBondContact O-CB 3.37Å; G474-M477 PolarHBondContact O-N 2.84Å
478T80.9Confident77.3Confident139 Ų139109.7 Ų109.785%0.85357%0.568SS**  trans-79125.1162.4-51.20000108.2
479V84.9Confident78Confident66 Ų66106.3 Ų106.340%0.456%0.556SS.*  trans-111.2118.4175.1-173.20000108.3L481V479-L481 HydrophobicContact CG1-CD2 4.05Å; V479-L481 HydrophobicContact CG1-CG 4.41Å
480E83.2Confident78.5Confident189 Ų189109.8 Ų109.888%0.88356%0.562SS**  trans-83.6124.3167.6-68.4-175.6172.800109.2
481L85.3Confident78.8Confident63 Ų63114.6 Ų114.633%0.3357%0.571SS.*  trans-104.1122.8175.1-65.4173.6000109.1L472 V479 E483 L502L472-L481 HydrophobicContact CD1-CD2 3.85Å; L472-L481 HydrophobicContact CD2-CD2 4.47Å; V479-L481 HydrophobicContact CG1-CD2 4.05Å; V479-L481 HydrophobicContact CG1-CG 4.41Å; L481-E483 PolarHBondContact O-N 3.42Å; L481-L502 HydrophobicContact CD1-CD2 3.25Å
482D80.7Confident78.9Confident96 Ų96107.9 Ų107.951%0.51354%0.54SS..  trans-60.7118.5168.5-179-7.4000108.6C484 L485D482-C484 PolarHBondContact O-N 3.37Å; D482-C484 VanDerWaalsContact OD1-CB 3.23Å; D482-C484 WeakPolarHBondContact OD1-CB 3.48Å; D482-C484 PolarHBondContact OD1-N 3.16Å; D482-C484 PolarHBondContact OD1-SG 3.47Å; D482-L485 HydrophobicContact CB-CD1 4.26Å; D482-L485 HydrophobicContact CB-CG 4.37Å; D482-L485 WeakPolarHBondContact O-CB 3.39Å; D482-L485 PolarHBondContact O-N 2.95Å
483E78.5Confident78.5Confident148 Ų148114.4 Ų114.469%0.69256%0.56SS**G310 helixtrans-52.6-26.4178.6-166.4-172.6173.400112.1L481 L485 L486 S487L481-E483 PolarHBondContact O-N 3.42Å; E483-L485 PolarHBondContact O-N 2.94Å; E483-L486 WeakPolarHBondContact O-CB 3.48Å; E483-L486 PolarHBondContact O-N 3.08Å; E483-S487 PolarHBondContact O-N 3.13Å; E483-S487 PolarHBondContact O-OG 3.39Å
484C76.5Confident78.1Confident37 Ų37122.2 Ų122.225%0.2559%0.588CS.*G310 helixtrans-57.2-36.3173.9-62.90000111.7D482 L486 S487 N492D482-C484 PolarHBondContact O-N 3.37Å; D482-C484 VanDerWaalsContact OD1-CB 3.23Å; D482-C484 WeakPolarHBondContact OD1-CB 3.48Å; D482-C484 PolarHBondContact OD1-N 3.16Å; D482-C484 PolarHBondContact OD1-SG 3.47Å; C484-L486 PolarHBondContact O-N 3.13Å; C484-S487 PolarHBondContact O-N 3.13Å; C484-S487 PolarHBondContact O-OG 3.05Å; C484-N492 PolarHBondContact O-ND2 3.28Å
485L74Confident77.3Confident45 Ų45127.8 Ų127.824%0.23660%0.602CS.*G310 helixtrans-70.8-13.1-179.2-61171000113.4D482 E483 Y497D482-L485 HydrophobicContact CB-CD1 4.26Å; D482-L485 HydrophobicContact CB-CG 4.37Å; D482-L485 WeakPolarHBondContact O-CB 3.39Å; D482-L485 PolarHBondContact O-N 2.95Å; E483-L485 PolarHBondContact O-N 2.94Å; L485-Y497 HydrophobicContact CB-CD2 3.87Å; L485-Y497 HydrophobicContact CB-CE2 4Å; L485-Y497 HydrophobicContact CD1-CE2 3.83Å; L485-Y497 HydrophobicContact CG-CE2 4.37Å; L485-Y497 PolarHBondContact O-N 2.7Å
486L80.7Confident76.8Confident75 Ų75118.6 Ų118.639%0.39357%0.571SS.*THydrogen-bonded Turntrans-94.6-24.5176-54.5-175.7000112.8E483 C484 L502E483-L486 WeakPolarHBondContact O-CB 3.48Å; E483-L486 PolarHBondContact O-N 3.08Å; C484-L486 PolarHBondContact O-N 3.13Å; L486-L502 HydrophobicContact CD1-CD1 4.27Å; L486-L502 HydrophobicContact CD2-CD1 3.33Å; L486-L502 HydrophobicContact CG-CD1 4.45Å
487S76.3Confident76Confident35 Ų35118 Ų11825%0.24555%0.545CS..SBendtrans-100.3139.3-174.860.40000112.9E483 C484 R489 M496E483-S487 PolarHBondContact O-N 3.13Å; E483-S487 PolarHBondContact O-OG 3.39Å; C484-S487 PolarHBondContact O-N 3.13Å; C484-S487 PolarHBondContact O-OG 3.05Å; S487-R489 PolarHBondContact O-N 3Å; S487-R489 PolarHBondContact OG-NE 3.04Å; S487-M496 VanDerWaalsContact O-CE 3.25Å; S487-M496 WeakPolarHBondContact O-CE 3.25Å
488R66.9Low75.5Confident236 Ų236114.1 Ų114.189%0.89153%0.531SS*.  trans-7067.6178.8-85.2-177.7178.4-174.82.8110.7M496R488-M496 VanDerWaalsContact CA-CE 3.42Å; R488-M496 HydrophobicContact CB-CE 4.02Å; R488-M496 HydrophobicContact CB-SD 4.19Å; R488-M496 HydrophobicContact CG-CE 3.48Å; R488-M496 VanDerWaalsContact CG-CE 3.48Å; R488-M496 HydrophobicContact CG-SD 3.24Å; R488-M496 WeakPolarHBondContact CG-SD 3.43Å
489R73Confident74.8Confident141 Ų141112.6 Ų112.653%0.53252%0.523SS..  trans-90.4153.5177.1-69.1-174.4178.5-1740.2111.7S487 Y491 N492S487-R489 PolarHBondContact O-N 3Å; S487-R489 PolarHBondContact OG-NE 3.04Å; R489-Y491 PolarHBondContact O-N 3.07Å; R489-N492 PolarHBondContact O-N 3.06Å
490K73.4Confident73.8Confident160 Ų160115.7 Ų115.770%0.69654%0.537SS*.G310 helixtrans-48.1-33.6179.9-176.4177.9177.7-179.80113.3
491Y73.7Confident73Confident200 Ų200115.5 Ų115.578%0.78453%0.528SS*.G310 helixtrans-86-13.1-177-54.4-73.6000114.5R489R489-Y491 PolarHBondContact O-N 3.07Å
492N73.3Confident72.1Confident24 Ų24115.7 Ų115.713%0.12853%0.529CS..G310 helixtrans-106.717.4-175-69.4-22.7000114C484 R489 Q494 K495C484-N492 PolarHBondContact O-ND2 3.28Å; R489-N492 PolarHBondContact O-N 3.06Å; N492-Q494 PolarHBondContact O-N 3.41Å; N492-K495 PolarHBondContact O-N 3.27Å
493R64.5Low71.3Confident206 Ų206119.6 Ų119.678%0.77754%0.542SS*.THydrogen-bonded Turntrans-55.7115.9173.2-69.6-176.1175.4-178.2-1.1108.7
494Q72.8Confident70.1Confident197 Ų197116.7 Ų116.792%0.92155%0.552SS**THydrogen-bonded Turntrans81.22.3-178.2-49.8174.9-10.500117.6N492N492-Q494 PolarHBondContact O-N 3.41Å
495K69.5Low68.7Low152 Ų152118.3 Ų118.366%0.66158%0.575SS**  trans-118.531.2177.5-65.9-173178-177.70113.1N492N492-K495 PolarHBondContact O-N 3.27Å
496M73.6Confident67Low69 Ų69126.6 Ų126.634%0.3463%0.627SS.*PPolyproline II helixtrans-86.7129.2179.2-56.8-158.184.800110.1S487 R488S487-M496 VanDerWaalsContact O-CE 3.25Å; S487-M496 WeakPolarHBondContact O-CE 3.25Å; R488-M496 VanDerWaalsContact CA-CE 3.42Å; R488-M496 HydrophobicContact CB-CE 4.02Å; R488-M496 HydrophobicContact CB-SD 4.19Å; R488-M496 HydrophobicContact CG-CE 3.48Å; R488-M496 VanDerWaalsContact CG-CE 3.48Å; R488-M496 HydrophobicContact CG-SD 3.24Å; R488-M496 WeakPolarHBondContact CG-SD 3.43Å
497Y72.8Confident66.3Low67 Ų67129.2 Ų129.226%0.26364%0.638SS.*PPolyproline II helixtrans-70.5136.8162.6-64.8-66.4000108.5V470 L472 L485V470-Y497 HydrophobicContact CB-CE1 4.29Å; L472-Y497 HydrophobicContact CD1-CD1 3.79Å; L472-Y497 HydrophobicContact CD1-CD2 4.19Å; L472-Y497 HydrophobicContact CD1-CE1 3.58Å; L472-Y497 HydrophobicContact CD1-CE2 3.98Å; L472-Y497 HydrophobicContact CD1-CG 4.12Å; L472-Y497 HydrophobicContact CD2-CE1 4.32Å; L472-Y497 HydrophobicContact CG-CE1 4.15Å; L485-Y497 HydrophobicContact CB-CD2 3.87Å; L485-Y497 HydrophobicContact CB-CE2 4Å; L485-Y497 HydrophobicContact CD1-CE2 3.83Å; L485-Y497 HydrophobicContact CG-CE2 4.37Å; L485-Y497 PolarHBondContact O-N 2.7Å
498S71.5Confident65.8Low52 Ų52134.1 Ų134.136%0.36466%0.659SS.*PPolyproline II helixtrans-64132.9169.8-166.30000107.8L500 W501S498-L500 PolarHBondContact O-N 3.28Å; S498-L500 VanDerWaalsContact O-N 3.07Å; S498-W501 PolarHBondContact O-N 3.41Å
499P65.9Low65.7Low106 Ų106128.4 Ų128.469%0.68865%0.646SS**G310 helixtrans-53.8-29.1173.1-24.433000112.3W501 L502P499-W501 PolarHBondContact O-N 2.94Å; P499-L502 PolarHBondContact O-N 3.36Å
500L64.6Low65.3Low132 Ų132127.7 Ų127.769%0.69165%0.653SS**G310 helixtrans-64.4-18.3176.5-108104.9000114.7S498 F503S498-L500 PolarHBondContact O-N 3.28Å; S498-L500 VanDerWaalsContact O-N 3.07Å; L500-F503 VanDerWaalsContact O-CD2 3.24Å; L500-F503 WeakPolarHBondContact O-CD2 3.13Å; L500-F503 WeakPolarHBondContact O-CE2 3.42Å
501W65.5Low64.8Low184 Ų184125.7 Ų125.770%0.69765%0.65SS**G310 helixtrans-94.83.5-177.7-66.7118.4000113.5S498 P499 F503S498-W501 PolarHBondContact O-N 3.41Å; P499-W501 PolarHBondContact O-N 2.94Å; W501-F503 PolarHBondContact O-N 3.34Å
502L66.2Low64.2Low68 Ų68120.7 Ų120.736%0.35664%0.641SS.*  trans-9769.8178.4-60.7169.1000109.6L481 L486 P499L481-L502 HydrophobicContact CD1-CD2 3.25Å; L486-L502 HydrophobicContact CD1-CD1 4.27Å; L486-L502 HydrophobicContact CD2-CD1 3.33Å; L486-L502 HydrophobicContact CG-CD1 4.45Å; P499-L502 PolarHBondContact O-N 3.36Å
503F64.4Low63.5Low177 Ų177127.6 Ų127.678%0.77668%0.678SS**  trans-108124.6166.7-75.6-82.8000108.5L500 W501L500-F503 VanDerWaalsContact O-CD2 3.24Å; L500-F503 WeakPolarHBondContact O-CD2 3.13Å; L500-F503 WeakPolarHBondContact O-CE2 3.42Å; W501-F503 PolarHBondContact O-N 3.34Å
504G53.6Low63.5Low87 Ų87121.6 Ų121.690%0.89767%0.67SS**  trans-73.6172.3-165.400000116.1
505G46.6Very low62.7Low71 Ų71115.3 Ų115.373%0.73265%0.649SS**  trans-141.9105.3158.100000108.3
506V38.3Very low62.1Low219 Ų219112 Ų112100%1.32765%0.648SS**  trans-89.80149.2-178.40000106.4

Retrieved 506 of 506 residues in 723.2 ms (Link to these results)