A0A060KQ04_PANTA Loading...

Family with sequence similarity 134 member C

AlphaFold DB (M3WFI6), UniProt , Accession A0A060KQ04, Species PANTA (Panthera tigris altaica, Siberian tiger), Gene FAM134C, Length 466 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
1M34.4Very low37.5Very low245 Ų245134.4 Ų134.4100%1.20787%0.867SS**  0121.90-159.7174.4-176.900106.5
2A35.8Very low37.2Very low99 Ų99129.3 Ų129.382%0.81886%0.859SS**  trans66107.3166.500000120.1
3E38.9Very low38.2Very low195 Ų195128.8 Ų128.891%0.91185%0.854SS**  trans-58.7153.9143.1-75.9169.293.600111.7
4A38.8Very low38Very low87 Ų87126.4 Ų126.472%0.71985%0.849SS**  trans-162.2124.9135.500000110.9
5E39.3Very low38Very low199 Ų199125.9 Ų125.993%0.9385%0.848SS**  trans39.3135.7140.1-62.3-178.3112.900119.7
6G34.2Very low37.8Very low67 Ų67122.8 Ų122.869%0.69184%0.844SS**  cis147.4177.720.500000108.4
7V33.3Very low38.1Very low158 Ų158123 Ų12396%0.95884%0.842SS**  trans104.4126.2164-169.30000117.4
8A37.3Very low38.6Very low96 Ų96123.8 Ų123.879%0.79384%0.842SS**  trans-71.9153.7-16900000115.7
9A30.6Very low39Very low106 Ų106124.1 Ų124.188%0.87683%0.834SS**  trans-149.5130.8159.300000111.7
10A34.6Very low39.3Very low96 Ų96129.5 Ų129.579%0.79384%0.836SS**  trans-140.9166.4160.100000107.3
11P54.8Low39.3Very low130 Ų130125.4 Ų125.484%0.84482%0.817SS**  cis-133.1161.2-46.335-19000114.5
12G34.2Very low39.7Very low74 Ų74123.7 Ų123.776%0.76380%0.798SS**  trans98.5163151.500000118.6
13P50Low40.2Very low122 Ų122128.2 Ų128.279%0.79279%0.794SS**  cis-133.5167.8-5.439.9-22.5000116.2
14A35.6Very low40.5Very low95 Ų95123.6 Ų123.679%0.78578%0.779SS**  trans63.8142.3152.100000118.6
15S37.6Very low41.1Very low119 Ų119126.1 Ų126.183%0.83278%0.777SS**  cis-174.3135.818.423.60000111
16G34.6Very low41.7Very low76 Ų76118.6 Ų118.678%0.78475%0.746SS**  trans93.9147.1152.900000118
17P42.9Very low42.8Very low127 Ų127116.6 Ų116.683%0.82573%0.726SS**  cis-127.91154.835.1-15.2000113.8
18T47.1Very low44Very low137 Ų137110.7 Ų110.784%0.8469%0.692SS**  trans-110.43.4170.547.30000113.8R20T18-R20 PolarHBondContact O-N 3.02Å
19L46.5Very low45.1Very low129 Ų129112.4 Ų112.468%0.67568%0.678SS**Hα-helixtrans-81.2-10.8-170.9-148.278.7000114.8
20R44.5Very low46.8Very low232 Ų232111.4 Ų111.488%0.87566%0.655SS**Hα-helixtrans-84.2-24.1-176.4-147.3174.7-156.8-174.45.5113.8T18T18-R20 PolarHBondContact O-N 3.02Å
21G39.9Very low48.1Very low44 Ų44111.5 Ų111.545%0.45464%0.635SS.*Hα-helixtrans-83.3-24.8-179.800000114.8T24 M25G21-T24 PolarHBondContact O-OG1 3.07Å; G21-T24 VanDerWaalsContact O-OG1 3.09Å; G21-M25 PolarHBondContact O-N 2.92Å
22R42.5Very low48.8Very low209 Ų209109.1 Ų109.179%0.78962%0.615SS**Hα-helixtrans-77.6-28.3-175.2-157.3172.6-168.7-176.12.7113.3S26R22-S26 PolarHBondContact O-N 3.03Å; R22-S26 VanDerWaalsContact O-N 3.11Å
23R46Very low50.5Low195 Ų195110.9 Ų110.974%0.73660%0.603SS**Hα-helixtrans-77.5-32.4-178.3-126.8-177.5-80.9-176.4-6.2112.8S26 G27R23-S26 PolarHBondContact O-N 3.48Å; R23-G27 PolarHBondContact O-N 3.26Å
24T46.3Very low51.2Low97 Ų97110.1 Ų110.160%0.59559%0.589SS**Hα-helixtrans-75.4-37.6175.350.90000112.1G21 S26 S28G21-T24 PolarHBondContact O-OG1 3.07Å; G21-T24 VanDerWaalsContact O-OG1 3.09Å; T24-S26 VanDerWaalsContact C-N 3.3Å; T24-S26 PolarHBondContact O-N 3.35Å; T24-S28 PolarHBondContact O-N 3.44Å
25M51.7Low52.4Low141 Ų141106.4 Ų106.470%0.69556%0.557SS**Hα-helixtrans-60.7-40.6169.5-78.8-103.7117.700111G21 G27 S28 W29G21-M25 PolarHBondContact O-N 2.92Å; M25-G27 PolarHBondContact O-N 2.95Å; M25-S28 PolarHBondContact O-N 3.2Å; M25-S28 VanDerWaalsContact O-N 3.14Å; M25-W29 VanDerWaalsContact O-CD1 3.27Å; M25-W29 PolarHBondContact O-N 3.35Å
26S52.1Low53.8Low40 Ų40104.9 Ų104.928%0.2854%0.537SS..Hα-helixtrans-63-46.1-179.2-154.40000113.1R22 R23 T24 S28 W29 E30R22-S26 PolarHBondContact O-N 3.03Å; R22-S26 VanDerWaalsContact O-N 3.11Å; R23-S26 PolarHBondContact O-N 3.48Å; T24-S26 VanDerWaalsContact C-N 3.3Å; T24-S26 PolarHBondContact O-N 3.35Å; S26-S28 PolarHBondContact O-N 3.09Å; S26-W29 VanDerWaalsContact C-CD1 3.47Å; S26-W29 PolarHBondContact O-NE1 2.99Å; S26-W29 PolarHBondContact OG-NE1 3.06Å; S26-E30 WeakPolarHBondContact O-CG 3.43Å; S26-E30 PolarHBondContact O-N 3.49Å; S26-E30 PolarHBondContact OG-OE1 3.5Å
27G57.5Low55.5Low25 Ų25103.8 Ų103.826%0.25852%0.52SS..Hα-helixtrans-70.6-13.6177.600000113.9R23 M25 R31R23-G27 PolarHBondContact O-N 3.26Å; M25-G27 PolarHBondContact O-N 2.95Å; G27-R31 WeakPolarHBondContact O-CB 3.38Å; G27-R31 WeakPolarHBondContact O-CD 3.27Å; G27-R31 WeakPolarHBondContact O-CG 3.46Å; G27-R31 PolarHBondContact O-N 3.47Å; G27-R31 PolarHBondContact O-NE 2.94Å
28S58.3Low56.1Low35 Ų3598.6 Ų98.625%0.24549%0.487CS..Hα-helixtrans-81.7-49.1174.8-1540000111.9T24 M25 S26 E30 R31 D32T24-S28 PolarHBondContact O-N 3.44Å; M25-S28 PolarHBondContact O-N 3.2Å; M25-S28 VanDerWaalsContact O-N 3.14Å; S26-S28 PolarHBondContact O-N 3.09Å; S28-E30 VanDerWaalsContact C-N 3.28Å; S28-E30 PolarHBondContact O-N 2.97Å; S28-R31 VanDerWaalsContact CB-NH2 3.32Å; S28-R31 WeakPolarHBondContact O-CB 3.11Å; S28-R31 PolarHBondContact O-N 2.88Å; S28-R31 VanDerWaalsContact O-N 3.09Å; S28-R31 PolarHBondContact OG-NH2 3.47Å; S28-R31 VanDerWaalsContact OG-NH2 3.14Å; S28-D32 WeakPolarHBondContact O-CB 3.35Å; S28-D32 PolarHBondContact O-N 2.94Å; S28-D32 VanDerWaalsContact O-OD2 3.05Å
29W60Low56.7Low132 Ų13294.5 Ų94.550%0.546%0.459SS..Hα-helixtrans-64.1-35.8179.473.4-96.8000112.1M25 S26 R31 D32 Q33M25-W29 VanDerWaalsContact O-CD1 3.27Å; M25-W29 PolarHBondContact O-N 3.35Å; S26-W29 VanDerWaalsContact C-CD1 3.47Å; S26-W29 PolarHBondContact O-NE1 2.99Å; S26-W29 PolarHBondContact OG-NE1 3.06Å; W29-R31 VanDerWaalsContact C-N 3.35Å; W29-D32 PolarHBondContact O-N 2.75Å; W29-Q33 VanDerWaalsContact CZ3-OE1 3.23Å; W29-Q33 VanDerWaalsContact O-CB 3.3Å; W29-Q33 WeakPolarHBondContact O-CB 3.34Å; W29-Q33 PolarHBondContact O-N 2.97Å
30E67.2Low57.4Low84 Ų8495.4 Ų95.439%0.39345%0.453SS..Hα-helixtrans-65.4-38.1174.5-72.9163.5-158.500111.9S26 S28 Q34S26-E30 WeakPolarHBondContact O-CG 3.43Å; S26-E30 PolarHBondContact O-N 3.49Å; S26-E30 PolarHBondContact OG-OE1 3.5Å; S28-E30 VanDerWaalsContact C-N 3.28Å; S28-E30 PolarHBondContact O-N 2.97Å; E30-Q34 WeakPolarHBondContact O-CB 3.29Å; E30-Q34 VanDerWaalsContact O-CG 3.28Å; E30-Q34 WeakPolarHBondContact O-CG 3.47Å; E30-Q34 PolarHBondContact O-N 3.4Å
31R61.5Low58.2Low99 Ų9986.8 Ų86.837%0.37443%0.432SS..Hα-helixtrans-66.7-47174-80.3-178.4-66.7107.5-5.6110.7G27 S28 W29 Q33 Q34 V35 I153G27-R31 WeakPolarHBondContact O-CB 3.38Å; G27-R31 WeakPolarHBondContact O-CD 3.27Å; G27-R31 WeakPolarHBondContact O-CG 3.46Å; G27-R31 PolarHBondContact O-N 3.47Å; G27-R31 PolarHBondContact O-NE 2.94Å; S28-R31 VanDerWaalsContact CB-NH2 3.32Å; S28-R31 WeakPolarHBondContact O-CB 3.11Å; S28-R31 PolarHBondContact O-N 2.88Å; S28-R31 VanDerWaalsContact O-N 3.09Å; S28-R31 PolarHBondContact OG-NH2 3.47Å; S28-R31 VanDerWaalsContact OG-NH2 3.14Å; W29-R31 VanDerWaalsContact C-N 3.35Å; R31-Q33 VanDerWaalsContact C-N 3.25Å; R31-Q33 PolarHBondContact O-N 3.27Å; R31-Q34 PolarHBondContact O-N 3.46Å; R31-Q34 VanDerWaalsContact O-N 3.14Å; R31-V35 WeakPolarHBondContact O-CB 3.48Å; R31-V35 VanDerWaalsContact O-CG2 3.24Å; R31-V35 WeakPolarHBondContact O-CG2 3.39Å; R31-V35 PolarHBondContact O-N 3.23Å; R31-I153 VanDerWaalsContact CD-CD1 3.44Å; R31-I153 HydrophobicContact CG-CD1 3.88Å
32D67.9Low59Low80 Ų8086.6 Ų86.643%0.42842%0.42SS..Hα-helixtrans-61.7-38.5-179.3-60.7-26.2000110.3S28 W29 V35 E36S28-D32 WeakPolarHBondContact O-CB 3.35Å; S28-D32 PolarHBondContact O-N 2.94Å; S28-D32 VanDerWaalsContact O-OD2 3.05Å; W29-D32 PolarHBondContact O-N 2.75Å; D32-V35 WeakPolarHBondContact O-CB 3.46Å; D32-V35 PolarHBondContact O-N 3.47Å; D32-E36 WeakPolarHBondContact O-CG 3.49Å; D32-E36 PolarHBondContact O-N 3.38Å
33Q70.7Confident59.9Low110 Ų11080.3 Ų80.351%0.51441%0.405SS..Hα-helixtrans-70.2-35.3175.6-162.9172.17.300113.3W29 R31 A37W29-Q33 VanDerWaalsContact CZ3-OE1 3.23Å; W29-Q33 VanDerWaalsContact O-CB 3.3Å; W29-Q33 WeakPolarHBondContact O-CB 3.34Å; W29-Q33 PolarHBondContact O-N 2.97Å; R31-Q33 VanDerWaalsContact C-N 3.25Å; R31-Q33 PolarHBondContact O-N 3.27Å; Q33-A37 WeakPolarHBondContact O-CB 3.37Å; Q33-A37 PolarHBondContact O-N 3.49Å
34Q64.8Low60.6Low106 Ų10678.8 Ų78.850%0.49541%0.406SS..Hα-helixtrans-69.7-38.3172.2-75.7176.13.700112.1E30 R31 E36 A37 A38E30-Q34 WeakPolarHBondContact O-CB 3.29Å; E30-Q34 VanDerWaalsContact O-CG 3.28Å; E30-Q34 WeakPolarHBondContact O-CG 3.47Å; E30-Q34 PolarHBondContact O-N 3.4Å; R31-Q34 PolarHBondContact O-N 3.46Å; R31-Q34 VanDerWaalsContact O-N 3.14Å; Q34-E36 VanDerWaalsContact C-N 3.34Å; Q34-A37 PolarHBondContact O-N 2.95Å; Q34-A38 VanDerWaalsContact O-CB 3.29Å; Q34-A38 WeakPolarHBondContact O-CB 3.42Å; Q34-A38 PolarHBondContact O-N 3.43Å
35V60.6Low61.1Low17 Ų1778.8 Ų78.810%0.10341%0.406CS..Hα-helixtrans-59.8-47.8172.5170.60000109.1R31 D32 A37 A38 Q39 A145 V149R31-V35 WeakPolarHBondContact O-CB 3.48Å; R31-V35 VanDerWaalsContact O-CG2 3.24Å; R31-V35 WeakPolarHBondContact O-CG2 3.39Å; R31-V35 PolarHBondContact O-N 3.23Å; D32-V35 WeakPolarHBondContact O-CB 3.46Å; D32-V35 PolarHBondContact O-N 3.47Å; V35-A37 PolarHBondContact O-N 3.1Å; V35-A38 PolarHBondContact O-N 3.41Å; V35-Q39 WeakPolarHBondContact O-CB 3.48Å; V35-Q39 PolarHBondContact O-N 3.47Å; V35-A145 HydrophobicContact CG1-CB 3.88Å; V35-V149 HydrophobicContact CB-CG2 4.28Å; V35-V149 HydrophobicContact CG2-CB 3.73Å; V35-V149 HydrophobicContact CG2-CG1 3.88Å; V35-V149 HydrophobicContact CG2-CG2 3.49Å; V35-V149 VanDerWaalsContact CG2-CG2 3.49Å
36E67.9Low61.2Low88 Ų8874.8 Ų74.841%0.41139%0.387SS..Hα-helixtrans-64.8-39.4178.8-75.9-175.5-166.500113.1D32 Q34 Q39 R40D32-E36 WeakPolarHBondContact O-CG 3.49Å; D32-E36 PolarHBondContact O-N 3.38Å; Q34-E36 VanDerWaalsContact C-N 3.34Å; E36-Q39 PolarHBondContact O-N 2.83Å; E36-R40 VanDerWaalsContact O-CG 3.3Å; E36-R40 WeakPolarHBondContact O-CG 3.02Å; E36-R40 PolarHBondContact O-N 3.31Å; E36-R40 IonicContact OE2-CZ 3.65Å; E36-R40 IonicContact OE2-NH1 3.64Å; E36-R40 IonicContact OE2-NH2 2.81Å; E36-R40 PolarHBondContact OE2-NH2 3.32Å
37A69.2Low61.4Low53 Ų5374.6 Ų74.644%0.43839%0.391SS..Hα-helixtrans-67.6-43.3177.100000111.7Q33 Q34 V35 Q39 R40 A41Q33-A37 WeakPolarHBondContact O-CB 3.37Å; Q33-A37 PolarHBondContact O-N 3.49Å; Q34-A37 PolarHBondContact O-N 2.95Å; V35-A37 PolarHBondContact O-N 3.1Å; A37-Q39 VanDerWaalsContact C-N 3.33Å; A37-R40 PolarHBondContact O-N 2.88Å; A37-A41 PolarHBondContact O-N 3.24Å
38A55.8Low61.6Low17 Ų1777.9 Ų77.914%0.1441%0.408CS..Hα-helixtrans-65.1-38.1174.500000111.5Q34 V35 A41 L42Q34-A38 VanDerWaalsContact O-CB 3.29Å; Q34-A38 WeakPolarHBondContact O-CB 3.42Å; Q34-A38 PolarHBondContact O-N 3.43Å; V35-A38 PolarHBondContact O-N 3.41Å; A38-A41 PolarHBondContact O-N 2.97Å; A38-L42 WeakPolarHBondContact O-CB 3.37Å; A38-L42 PolarHBondContact O-N 3.17Å
39Q59.8Low61.3Low51 Ų5182.6 Ų82.624%0.23842%0.421CS..Hα-helixtrans-60.9-47.2174.3-175.6-177.5-700110.8V35 E36 A37 A41 L42 V43 C141 A145V35-Q39 WeakPolarHBondContact O-CB 3.48Å; V35-Q39 PolarHBondContact O-N 3.47Å; E36-Q39 PolarHBondContact O-N 2.83Å; A37-Q39 VanDerWaalsContact C-N 3.33Å; Q39-A41 PolarHBondContact O-N 3.49Å; Q39-L42 PolarHBondContact O-N 3.46Å; Q39-V43 WeakPolarHBondContact O-CB 3.17Å; Q39-V43 WeakPolarHBondContact O-CG2 3.33Å; Q39-V43 PolarHBondContact O-N 3.3Å; Q39-C141 VanDerWaalsContact CG-SG 3.6Å; Q39-A145 HydrophobicContact CB-CB 4.37Å
40R61.6Low61.1Low148 Ų14881.2 Ų81.256%0.55842%0.421SS*.Hα-helixtrans-62.4-43.3177.6-71.3178-163.5106.54.8112.2E36 A37 V43 E44E36-R40 VanDerWaalsContact O-CG 3.3Å; E36-R40 WeakPolarHBondContact O-CG 3.02Å; E36-R40 PolarHBondContact O-N 3.31Å; E36-R40 IonicContact OE2-CZ 3.65Å; E36-R40 IonicContact OE2-NH1 3.64Å; E36-R40 IonicContact OE2-NH2 2.81Å; E36-R40 PolarHBondContact OE2-NH2 3.32Å; A37-R40 PolarHBondContact O-N 2.88Å; R40-V43 PolarHBondContact O-N 2.82Å; R40-E44 PolarHBondContact O-N 3.26Å
41A61.3Low60.6Low51 Ų5179.8 Ų79.842%0.42142%0.419SS..Hα-helixtrans-65.8-39.317600000112.3A37 A38 Q39 V45A37-A41 PolarHBondContact O-N 3.24Å; A38-A41 PolarHBondContact O-N 2.97Å; Q39-A41 PolarHBondContact O-N 3.49Å; A41-V45 VanDerWaalsContact O-CG2 3.3Å; A41-V45 WeakPolarHBondContact O-CG2 3.17Å; A41-V45 PolarHBondContact O-N 3.31Å; A41-V45 VanDerWaalsContact O-N 3.16Å
42L57.1Low60.3Low41 Ų4179.3 Ų79.322%0.21542%0.423CS..Hα-helixtrans-64.4-41.5173.7-112.885.3000111.2A38 Q39 V45 L46 V144A38-L42 WeakPolarHBondContact O-CB 3.37Å; A38-L42 PolarHBondContact O-N 3.17Å; Q39-L42 PolarHBondContact O-N 3.46Å; L42-V45 PolarHBondContact O-N 2.79Å; L42-L46 HydrophobicContact CG-CD1 4.43Å; L42-L46 WeakPolarHBondContact O-CB 3.31Å; L42-L46 WeakPolarHBondContact O-CD1 3.44Å; L42-L46 PolarHBondContact O-N 2.85Å; L42-V144 HydrophobicContact CD2-CB 4.31Å; L42-V144 HydrophobicContact CD2-CG1 3.57Å
43V61.1Low59.7Low77 Ų7778.1 Ų78.147%0.46742%0.416SS..Hα-helixtrans-65.7-39179.91690000111.5Q39 R40 G47Q39-V43 WeakPolarHBondContact O-CB 3.17Å; Q39-V43 WeakPolarHBondContact O-CG2 3.33Å; Q39-V43 PolarHBondContact O-N 3.3Å; R40-V43 PolarHBondContact O-N 2.82Å; V43-G47 WeakPolarHBondContact O-CA 3.26Å; V43-G47 PolarHBondContact O-N 3.46Å
44E61.3Low59.2Low162 Ų16275.3 Ų75.376%0.75741%0.409SS*.Hα-helixtrans-65.2-38.8173.9-80.7-174.5150.700112.5R40R40-E44 PolarHBondContact O-N 3.26Å
45V56.1Low58.9Low98 Ų9877.8 Ų77.859%0.59441%0.414SS*.Hα-helixtrans-78.4-33.3-179.9176.10000112.1A41 L42 Y49A41-V45 VanDerWaalsContact O-CG2 3.3Å; A41-V45 WeakPolarHBondContact O-CG2 3.17Å; A41-V45 PolarHBondContact O-N 3.31Å; A41-V45 VanDerWaalsContact O-N 3.16Å; L42-V45 PolarHBondContact O-N 2.79Å; V45-Y49 WeakPolarHBondContact O-CD2 3.32Å
46L54.5Low58.8Low56 Ų5680.8 Ų80.829%0.29343%0.432SS..Hα-helixtrans-91.6-14-179.5-90.463.4000113.7L42 P48 Y49 E50 L53L42-L46 HydrophobicContact CG-CD1 4.43Å; L42-L46 WeakPolarHBondContact O-CB 3.31Å; L42-L46 WeakPolarHBondContact O-CD1 3.44Å; L42-L46 PolarHBondContact O-N 2.85Å; L46-P48 VanDerWaalsContact C-CD 3.45Å; L46-P48 VanDerWaalsContact C-N 3.31Å; L46-Y49 CarbonylContact O-C 3.37Å; L46-Y49 WeakPolarHBondContact O-CA 3.4Å; L46-Y49 PolarHBondContact O-N 2.81Å; L46-E50 PolarHBondContact O-N 3.3Å; L46-L53 HydrophobicContact CB-CD1 4.35Å; L46-L53 HydrophobicContact CD2-CD1 3.76Å; L46-L53 HydrophobicContact CD2-CD2 3.77Å; L46-L53 HydrophobicContact CD2-CG 4.44Å; L46-L53 HydrophobicContact CG-CD1 3.78Å
47G55.6Low58.5Low36 Ų3677.5 Ų77.537%0.37142%0.416SS..G310 helixtrans-50.3-43.6176.500000113.7V43 Y49V43-G47 WeakPolarHBondContact O-CA 3.26Å; V43-G47 PolarHBondContact O-N 3.46Å; G47-Y49 PolarHBondContact O-N 2.8Å
48P61.9Low58.1Low95 Ų9576.4 Ų76.462%0.61741%0.407SS*.G310 helixtrans-68.4-18174.3-1931.8000114.5L46L46-P48 VanDerWaalsContact C-CD 3.45Å; L46-P48 VanDerWaalsContact C-N 3.31Å
49Y51.3Low58.3Low133 Ų13376.3 Ų76.352%0.52241%0.407SS..G310 helixtrans-1082.9-174.8-60.4-80.1000113.3V45 L46 G47 P51 L52 L53V45-Y49 WeakPolarHBondContact O-CD2 3.32Å; L46-Y49 CarbonylContact O-C 3.37Å; L46-Y49 WeakPolarHBondContact O-CA 3.4Å; L46-Y49 PolarHBondContact O-N 2.81Å; G47-Y49 PolarHBondContact O-N 2.8Å; Y49-P51 VanDerWaalsContact C-CD 3.44Å; Y49-P51 VanDerWaalsContact C-N 3.35Å; Y49-L52 HydrophobicContact CD1-CD1 3.86Å; Y49-L52 CarbonylContact O-C 3.6Å; Y49-L52 WeakPolarHBondContact O-CA 3.48Å; Y49-L52 WeakPolarHBondContact O-CB 3.37Å; Y49-L52 PolarHBondContact O-N 2.86Å; Y49-L53 WeakPolarHBondContact O-CD1 3.4Å; Y49-L53 PolarHBondContact O-N 2.76Å
50E57Low58.2Low104 Ų10476.4 Ų76.449%0.48641%0.408SS..Hα-helixtrans-47.4-44.6175.6-171.3173.3-16800114.4L46 L52 S54 V137L46-E50 PolarHBondContact O-N 3.3Å; E50-L52 VanDerWaalsContact C-N 3.3Å; E50-L52 PolarHBondContact O-N 3.34Å; E50-S54 WeakPolarHBondContact O-CB 3.37Å; E50-S54 PolarHBondContact O-N 3.07Å; E50-S54 PolarHBondContact O-OG 3.5Å; E50-V137 HydrophobicContact CG-CG1 4.44Å; E50-V137 HydrophobicContact CG-CG2 4.24Å
51P56.9Low58.3Low54 Ų5470 Ų7035%0.35139%0.386SS..Hα-helixtrans-73.6-19.6177.228.6-35.6000113.7Y49 S54 R55Y49-P51 VanDerWaalsContact C-CD 3.44Å; Y49-P51 VanDerWaalsContact C-N 3.35Å; P51-S54 WeakPolarHBondContact CA-OG 3.45Å; P51-S54 PolarHBondContact O-OG 3.35Å; P51-S54 VanDerWaalsContact O-OG 3.13Å; P51-R55 VanDerWaalsContact O-CG 3.25Å; P51-R55 WeakPolarHBondContact O-CG 3.45Å; P51-R55 PolarHBondContact O-N 2.81Å; P51-R55 PolarHBondContact O-NE 3.46Å
52L53.8Low58.3Low88 Ų8871 Ų7146%0.46138%0.378SS..Hα-helixtrans-84.1-43.3175.2-79.9159.3000110.8Y49 E50 S54 R55 V56Y49-L52 HydrophobicContact CD1-CD1 3.86Å; Y49-L52 CarbonylContact O-C 3.6Å; Y49-L52 WeakPolarHBondContact O-CA 3.48Å; Y49-L52 WeakPolarHBondContact O-CB 3.37Å; Y49-L52 PolarHBondContact O-N 2.86Å; E50-L52 VanDerWaalsContact C-N 3.3Å; E50-L52 PolarHBondContact O-N 3.34Å; L52-S54 VanDerWaalsContact C-N 3.34Å; L52-S54 PolarHBondContact O-N 3.19Å; L52-R55 PolarHBondContact O-N 3.21Å; L52-V56 WeakPolarHBondContact O-CB 3.35Å; L52-V56 VanDerWaalsContact O-CG2 3.27Å; L52-V56 WeakPolarHBondContact O-CG2 3.22Å; L52-V56 PolarHBondContact O-N 3.13Å
53L56.2Low58.4Low56 Ų5672.5 Ų72.529%0.29339%0.385SS..Hα-helixtrans-61.4-42.4174.1-92111.6000111.5L46 Y49 R55 V56 Q57 L140L46-L53 HydrophobicContact CB-CD1 4.35Å; L46-L53 HydrophobicContact CD2-CD1 3.76Å; L46-L53 HydrophobicContact CD2-CD2 3.77Å; L46-L53 HydrophobicContact CD2-CG 4.44Å; L46-L53 HydrophobicContact CG-CD1 3.78Å; Y49-L53 WeakPolarHBondContact O-CD1 3.4Å; Y49-L53 PolarHBondContact O-N 2.76Å; L53-R55 VanDerWaalsContact C-N 3.34Å; L53-R55 PolarHBondContact O-N 3.19Å; L53-V56 PolarHBondContact O-N 2.81Å; L53-Q57 WeakPolarHBondContact O-CB 3.16Å; L53-Q57 PolarHBondContact O-N 3.37Å; L53-L140 HydrophobicContact CD2-CD2 4.05Å
54S60.5Low58.3Low50 Ų5075 Ų7535%0.3539%0.385SS..Hα-helixtrans-64-36.6176.1580000112.7E50 P51 L52 A58E50-S54 WeakPolarHBondContact O-CB 3.37Å; E50-S54 PolarHBondContact O-N 3.07Å; E50-S54 PolarHBondContact O-OG 3.5Å; P51-S54 WeakPolarHBondContact CA-OG 3.45Å; P51-S54 PolarHBondContact O-OG 3.35Å; P51-S54 VanDerWaalsContact O-OG 3.13Å; L52-S54 VanDerWaalsContact C-N 3.34Å; L52-S54 PolarHBondContact O-N 3.19Å; S54-A58 VanDerWaalsContact O-CB 3.23Å; S54-A58 WeakPolarHBondContact O-CB 3.47Å; S54-A58 PolarHBondContact O-N 3.18Å
55R58Low58.4Low159 Ų15971.3 Ų71.360%0.638%0.376SS*.Hα-helixtrans-70.2-42.7174-74.6178.3-139.6152.23.9112.8P51 L52 L53 Q57 A58 A59P51-R55 VanDerWaalsContact O-CG 3.25Å; P51-R55 WeakPolarHBondContact O-CG 3.45Å; P51-R55 PolarHBondContact O-N 2.81Å; P51-R55 PolarHBondContact O-NE 3.46Å; L52-R55 PolarHBondContact O-N 3.21Å; L53-R55 VanDerWaalsContact C-N 3.34Å; L53-R55 PolarHBondContact O-N 3.19Å; R55-Q57 VanDerWaalsContact C-N 3.32Å; R55-A58 PolarHBondContact O-N 2.8Å; R55-A59 VanDerWaalsContact O-CB 3.3Å; R55-A59 WeakPolarHBondContact O-CB 3.47Å; R55-A59 PolarHBondContact O-N 3.47Å
56V57.8Low58.9Low80 Ų8070.4 Ų70.449%0.48538%0.379SS..Hα-helixtrans-64.9-42.1176.7170.50000109.6L52 L53 A59 L60L52-V56 WeakPolarHBondContact O-CB 3.35Å; L52-V56 VanDerWaalsContact O-CG2 3.27Å; L52-V56 WeakPolarHBondContact O-CG2 3.22Å; L52-V56 PolarHBondContact O-N 3.13Å; L53-V56 PolarHBondContact O-N 2.81Å; V56-A59 PolarHBondContact O-N 3.21Å; V56-L60 HydrophobicContact CG1-CD1 4.05Å; V56-L60 VanDerWaalsContact O-CB 3.32Å; V56-L60 WeakPolarHBondContact O-CB 3.42Å; V56-L60 WeakPolarHBondContact O-CD1 3.06Å; V56-L60 PolarHBondContact O-N 3.41Å
57Q62Low59.4Low19 Ų1975 Ų759%0.08939%0.392CS..Hα-helixtrans-64.6-45.9174.9-174.5-179.8-17.800111.4L53 R55 A59 L60 V61 L135L53-Q57 WeakPolarHBondContact O-CB 3.16Å; L53-Q57 PolarHBondContact O-N 3.37Å; R55-Q57 VanDerWaalsContact C-N 3.32Å; Q57-A59 VanDerWaalsContact C-N 3.27Å; Q57-A59 PolarHBondContact O-N 2.96Å; Q57-L60 CarbonylContact O-C 3.52Å; Q57-L60 PolarHBondContact O-N 3.16Å; Q57-V61 HydrophobicContact CG-CG2 3.98Å; Q57-V61 WeakPolarHBondContact O-CB 3.28Å; Q57-V61 WeakPolarHBondContact O-CG2 3.23Å; Q57-V61 PolarHBondContact O-N 3.03Å; Q57-L135 PolarHBondContact NE2-O 2.76Å
58A61.5Low60.1Low30 Ų3073.4 Ų73.425%0.24838%0.375CS..Hα-helixtrans-62.1-35.2175.200000112.4S54 R55 W62 L134S54-A58 VanDerWaalsContact O-CB 3.23Å; S54-A58 WeakPolarHBondContact O-CB 3.47Å; S54-A58 PolarHBondContact O-N 3.18Å; R55-A58 PolarHBondContact O-N 2.8Å; A58-W62 PolarHBondContact O-N 3.34Å; A58-L134 HydrophobicContact CB-CD2 4.1Å
59A59.3Low60.5Low15 Ų1570.8 Ų70.812%0.12436%0.362CS..Hα-helixtrans-69.9-40.2173.300000112.3R55 V56 Q57 S68 W71R55-A59 VanDerWaalsContact O-CB 3.3Å; R55-A59 WeakPolarHBondContact O-CB 3.47Å; R55-A59 PolarHBondContact O-N 3.47Å; V56-A59 PolarHBondContact O-N 3.21Å; Q57-A59 VanDerWaalsContact C-N 3.27Å; Q57-A59 PolarHBondContact O-N 2.96Å; A59-S68 WeakPolarHBondContact O-CB 3.22Å; A59-W71 HydrophobicContact CB-CB 4.46Å; A59-W71 HydrophobicContact CB-CG 4.18Å
60L58Low61.8Low53 Ų5370.2 Ų70.228%0.27737%0.367SS..Hα-helixtrans-73.3-30.1177-102.665.4000113.3V56 Q57 W62 P204V56-L60 HydrophobicContact CG1-CD1 4.05Å; V56-L60 VanDerWaalsContact O-CB 3.32Å; V56-L60 WeakPolarHBondContact O-CB 3.42Å; V56-L60 WeakPolarHBondContact O-CD1 3.06Å; V56-L60 PolarHBondContact O-N 3.41Å; Q57-L60 CarbonylContact O-C 3.52Å; Q57-L60 PolarHBondContact O-N 3.16Å; L60-W62 VanDerWaalsContact C-N 3.29Å; L60-P204 HydrophobicContact CB-CB 4.16Å; L60-P204 HydrophobicContact CB-CG 3.91Å; L60-P204 HydrophobicContact CD2-CB 4.23Å; L60-P204 HydrophobicContact CD2-CG 3.67Å; L60-P204 HydrophobicContact CG-CB 4.36Å; L60-P204 HydrophobicContact CG-CG 3.64Å
61V63.2Low62.7Low13 Ų1373.1 Ų73.18%0.07937%0.374CS..THydrogen-bonded Turntrans-83.1-6.4-179.4170.10000111.8Q57 E63 Y208Q57-V61 HydrophobicContact CG-CG2 3.98Å; Q57-V61 WeakPolarHBondContact O-CB 3.28Å; Q57-V61 WeakPolarHBondContact O-CG2 3.23Å; Q57-V61 PolarHBondContact O-N 3.03Å; V61-E63 PolarHBondContact O-N 2.91Å; V61-Y208 HydrophobicContact CG1-CD2 3.9Å; V61-Y208 HydrophobicContact CG1-CE1 4.31Å; V61-Y208 HydrophobicContact CG1-CE2 3.66Å; V61-Y208 HydrophobicContact CG1-CG 4.32Å
62W60.3Low63.6Low71 Ų7171.9 Ų71.927%0.26937%0.366SS..THydrogen-bonded Turntrans55.533.9177-75.453.7000113.7A58 L60 R64 P65 A69 L205A58-W62 PolarHBondContact O-N 3.34Å; L60-W62 VanDerWaalsContact C-N 3.29Å; W62-R64 PolarHBondContact O-N 3.35Å; W62-R64 VanDerWaalsContact O-N 3.08Å; W62-P65 HydrophobicContact CE3-CB 4.17Å; W62-A69 HydrophobicContact CH2-CB 4.37Å; W62-A69 HydrophobicContact CZ3-CB 4.48Å; W62-L205 HydrophobicContact CB-CD1 3.87Å; W62-L205 HydrophobicContact CD2-CD1 3.66Å; W62-L205 HydrophobicContact CD2-CD2 4.46Å; W62-L205 HydrophobicContact CG-CD1 3.34Å; W62-L205 HydrophobicContact CZ2-CD2 4.15Å
63E59.8Low64.9Low74 Ų7473.4 Ų73.435%0.34637%0.374SS..SBendtrans-59.4-26.4178.6-163.8-178-168.800111.8V61 H131 L134V61-E63 PolarHBondContact O-N 2.91Å; E63-H131 IonicContact OE1-CD2 3.28Å; E63-H131 IonicContact OE1-CG 2.69Å; E63-L134 WeakPolarHBondContact OE1-CD1 3.33Å
64R60.3Low66.1Low128 Ų12872.5 Ų72.548%0.48338%0.378SS..SBendtrans-127.899.3168.5-62-177.6-166.9-163.34.9109.5W62 A66 R67 S68W62-R64 PolarHBondContact O-N 3.35Å; W62-R64 VanDerWaalsContact O-N 3.08Å; R64-A66 PolarHBondContact O-N 2.74Å; R64-A66 VanDerWaalsContact O-N 3.11Å; R64-R67 HydrophobicContact CB-CB 4.27Å; R64-R67 HydrophobicContact CB-CG 4.41Å; R64-R67 VanDerWaalsContact NH1-CZ 3.34Å; R64-R67 PolarHBondContact O-N 3.36Å; R64-S68 PolarHBondContact O-N 3.38Å; R64-S68 PolarHBondContact O-OG 2.87Å
65P63.3Low67.1Low85 Ų8573.5 Ų73.555%0.55238%0.379SS*.Hα-helixtrans-59.2-32.8-168.722.7-34000113.1W62 S68 A69W62-P65 HydrophobicContact CE3-CB 4.17Å; P65-S68 VanDerWaalsContact CA-OG 3.31Å; P65-S68 WeakPolarHBondContact CA-OG 3.46Å; P65-S68 PolarHBondContact O-OG 3.43Å; P65-A69 WeakPolarHBondContact O-CB 3.24Å; P65-A69 PolarHBondContact O-N 2.88Å
66A66Low68.3Low80 Ų8067.3 Ų67.366%0.66136%0.358SS*.Hα-helixtrans-68.7-37.7177.200000113.1R64 L70R64-A66 PolarHBondContact O-N 2.74Å; R64-A66 VanDerWaalsContact O-N 3.11Å; A66-L70 WeakPolarHBondContact O-CB 3.34Å; A66-L70 PolarHBondContact O-N 2.95Å
67R65.7Low69.3Low152 Ų15266 Ų6657%0.57436%0.356SS*.Hα-helixtrans-80.4-38.7-179.8-65.3-175.2-173.2174.8-1.3111.3R64 L70 W71R64-R67 HydrophobicContact CB-CB 4.27Å; R64-R67 HydrophobicContact CB-CG 4.41Å; R64-R67 VanDerWaalsContact NH1-CZ 3.34Å; R64-R67 PolarHBondContact O-N 3.36Å; R67-L70 WeakPolarHBondContact O-CB 3.3Å; R67-L70 PolarHBondContact O-N 2.93Å; R67-W71 VanDerWaalsContact O-CD1 3.23Å; R67-W71 PolarHBondContact O-N 2.75Å
68S68.9Low70.2Confident2 Ų267 Ų671%0.01437%0.367CS..Hα-helixtrans-67.5-37.117355.40000111.9A59 R64 P65 L70 W71 C72A59-S68 WeakPolarHBondContact O-CB 3.22Å; R64-S68 PolarHBondContact O-N 3.38Å; R64-S68 PolarHBondContact O-OG 2.87Å; P65-S68 VanDerWaalsContact CA-OG 3.31Å; P65-S68 WeakPolarHBondContact CA-OG 3.46Å; P65-S68 PolarHBondContact O-OG 3.43Å; S68-L70 VanDerWaalsContact C-N 3.34Å; S68-W71 PolarHBondContact O-N 2.84Å; S68-C72 VanDerWaalsContact O-CB 3.26Å; S68-C72 WeakPolarHBondContact O-CB 3.45Å; S68-C72 PolarHBondContact O-N 3.43Å
69A71Confident71.1Confident40 Ų4067.3 Ų67.333%0.33136%0.363SS..Hα-helixtrans-63.4-39.5170.500000111.6W62 P65 C72 L73W62-A69 HydrophobicContact CH2-CB 4.37Å; W62-A69 HydrophobicContact CZ3-CB 4.48Å; P65-A69 WeakPolarHBondContact O-CB 3.24Å; P65-A69 PolarHBondContact O-N 2.88Å; A69-C72 WeakPolarHBondContact O-CB 3.3Å; A69-C72 PolarHBondContact O-N 2.91Å; A69-L73 WeakPolarHBondContact O-CB 3.42Å; A69-L73 PolarHBondContact O-N 2.83Å
70L77.6Confident72.2Confident121 Ų12171.8 Ų71.863%0.63438%0.376SS*.Hα-helixtrans-63.6-42.3173.7-167.380.6000111.9A66 R67 S68 L73 G74A66-L70 WeakPolarHBondContact O-CB 3.34Å; A66-L70 PolarHBondContact O-N 2.95Å; R67-L70 WeakPolarHBondContact O-CB 3.3Å; R67-L70 PolarHBondContact O-N 2.93Å; S68-L70 VanDerWaalsContact C-N 3.34Å; L70-L73 PolarHBondContact O-N 3.45Å; L70-G74 PolarHBondContact O-N 2.9Å
71W76.6Confident73.2Confident165 Ų16574.7 Ų74.763%0.62539%0.387SS*.Hα-helixtrans-64.3-42.7174.1-89.199.8000112.2A59 R67 S68 G74 L75A59-W71 HydrophobicContact CB-CB 4.46Å; A59-W71 HydrophobicContact CB-CG 4.18Å; R67-W71 VanDerWaalsContact O-CD1 3.23Å; R67-W71 PolarHBondContact O-N 2.75Å; S68-W71 PolarHBondContact O-N 2.84Å; W71-G74 PolarHBondContact O-N 3.26Å; W71-L75 WeakPolarHBondContact O-CB 3.24Å; W71-L75 WeakPolarHBondContact O-CG 3.29Å; W71-L75 PolarHBondContact O-N 3.03Å
72C75.2Confident73.7Confident29 Ų2979.7 Ų79.720%0.19641%0.408CS..Hα-helixtrans-59.1-50.6173.8-172.70000110.4S68 A69 G74 L75 N76 M201S68-C72 VanDerWaalsContact O-CB 3.26Å; S68-C72 WeakPolarHBondContact O-CB 3.45Å; S68-C72 PolarHBondContact O-N 3.43Å; A69-C72 WeakPolarHBondContact O-CB 3.3Å; A69-C72 PolarHBondContact O-N 2.91Å; C72-G74 VanDerWaalsContact C-N 3.29Å; C72-G74 PolarHBondContact O-N 2.89Å; C72-L75 PolarHBondContact O-N 2.95Å; C72-N76 WeakPolarHBondContact O-CB 3.3Å; C72-N76 PolarHBondContact O-N 3.36Å; C72-N76 PolarHBondContact O-ND2 3Å; C72-N76 PolarHBondContact SG-ND2 3.33Å; C72-N76 VanDerWaalsContact SG-ND2 3.4Å; C72-M201 HydrophobicContact CB-CE 3.48Å; C72-M201 VanDerWaalsContact CB-CE 3.48Å; C72-M201 HydrophobicContact CB-SD 3.96Å; C72-M201 VanDerWaalsContact SG-CE 3.54Å; C72-M201 PolarHBondContact SG-SD 2.74Å
73L80.9Confident74.4Confident120 Ų12077.9 Ų77.963%0.62841%0.408SS*.Hα-helixtrans-63.2-36.8178.4-169.2133.7000111.4A69 L70 A77A69-L73 WeakPolarHBondContact O-CB 3.42Å; A69-L73 PolarHBondContact O-N 2.83Å; L70-L73 PolarHBondContact O-N 3.45Å; L73-A77 WeakPolarHBondContact O-CB 3.36Å; L73-A77 PolarHBondContact O-N 3.19Å
74G81.3Confident75.1Confident36 Ų3680.7 Ų80.737%0.37143%0.425SS..Hα-helixtrans-65.5-43.3173.300000113.2L70 W71 C72 A77 A78L70-G74 PolarHBondContact O-N 2.9Å; W71-G74 PolarHBondContact O-N 3.26Å; C72-G74 VanDerWaalsContact C-N 3.29Å; C72-G74 PolarHBondContact O-N 2.89Å; G74-A77 PolarHBondContact O-N 2.82Å; G74-A78 VanDerWaalsContact O-CB 3.28Å; G74-A78 WeakPolarHBondContact O-CB 3.36Å; G74-A78 PolarHBondContact O-N 2.99Å
75L82.1Confident75.6Confident72 Ų7276.1 Ų76.138%0.37741%0.411SS..Hα-helixtrans-66.4-40.9175.4-74.7169.9000111.8W71 C72 A78 F79 M201W71-L75 WeakPolarHBondContact O-CB 3.24Å; W71-L75 WeakPolarHBondContact O-CG 3.29Å; W71-L75 PolarHBondContact O-N 3.03Å; C72-L75 PolarHBondContact O-N 2.95Å; L75-A78 PolarHBondContact O-N 3.41Å; L75-F79 WeakPolarHBondContact O-CB 3.19Å; L75-F79 PolarHBondContact O-N 3.16Å; L75-M201 HydrophobicContact CB-SD 4.43Å; L75-M201 HydrophobicContact CD1-CE 4.47Å; L75-M201 HydrophobicContact CD1-CG 4.49Å; L75-M201 HydrophobicContact CD1-SD 3.84Å
76N82.5Confident75.3Confident28 Ų2878 Ų7815%0.1543%0.427CS..Hα-helixtrans-65.1-45.2173.8-78.8-81.6000110.9C72 A78 F79 W80 Y194C72-N76 WeakPolarHBondContact O-CB 3.3Å; C72-N76 PolarHBondContact O-N 3.36Å; C72-N76 PolarHBondContact O-ND2 3Å; C72-N76 PolarHBondContact SG-ND2 3.33Å; C72-N76 VanDerWaalsContact SG-ND2 3.4Å; N76-A78 VanDerWaalsContact C-N 3.34Å; N76-A78 PolarHBondContact O-N 3.3Å; N76-F79 PolarHBondContact O-N 2.75Å; N76-W80 WeakPolarHBondContact O-CB 3.44Å; N76-W80 PolarHBondContact O-N 2.81Å; N76-Y194 WeakPolarHBondContact OD1-CE2 3.48Å
77A80.4Confident75.1Confident54 Ų5477.7 Ų77.745%0.44641%0.413SS..Hα-helixtrans-62.8-40.3176.300000111.8L73 G74 W80 F81L73-A77 WeakPolarHBondContact O-CB 3.36Å; L73-A77 PolarHBondContact O-N 3.19Å; G74-A77 PolarHBondContact O-N 2.82Å; A77-W80 PolarHBondContact O-N 3.28Å; A77-F81 WeakPolarHBondContact O-CB 3.3Å; A77-F81 PolarHBondContact O-N 3.36Å
78A79.3Confident75.3Confident39 Ų3980.8 Ų80.832%0.32243%0.425SS..Hα-helixtrans-64-4517400000111.1G74 L75 N76 F81 F82G74-A78 VanDerWaalsContact O-CB 3.28Å; G74-A78 WeakPolarHBondContact O-CB 3.36Å; G74-A78 PolarHBondContact O-N 2.99Å; L75-A78 PolarHBondContact O-N 3.41Å; N76-A78 VanDerWaalsContact C-N 3.34Å; N76-A78 PolarHBondContact O-N 3.3Å; A78-F81 WeakPolarHBondContact O-CB 3.45Å; A78-F81 PolarHBondContact O-N 3.05Å; A78-F82 HydrophobicContact CB-CE2 4.46Å; A78-F82 WeakPolarHBondContact O-CD2 3.33Å; A78-F82 PolarHBondContact O-N 3.29Å
79F81.8Confident75Confident36 Ų3687.7 Ų87.716%0.15846%0.461CS..Hα-helixtrans-59.5-48.8175.8176.5-89.5000111.8L75 N76 F81 F82 A83 L190 S193 Y194 L197L75-F79 WeakPolarHBondContact O-CB 3.19Å; L75-F79 PolarHBondContact O-N 3.16Å; N76-F79 PolarHBondContact O-N 2.75Å; F79-F81 VanDerWaalsContact C-N 3.32Å; F79-F81 PolarHBondContact O-N 3.29Å; F79-F82 PolarHBondContact O-N 2.83Å; F79-A83 VanDerWaalsContact O-CB 3.26Å; F79-A83 WeakPolarHBondContact O-CB 3.13Å; F79-A83 PolarHBondContact O-N 3.49Å; F79-L190 HydrophobicContact CE1-CD2 4.48Å; F79-L190 HydrophobicContact CE1-CG 4.36Å; F79-L190 HydrophobicContact CZ-CG 4.2Å; F79-L190 WeakPolarHBondContact CZ-O 3.41Å; F79-S193 WeakPolarHBondContact CE2-OG 3.27Å; F79-S193 VanDerWaalsContact CZ-OG 3.24Å; F79-S193 WeakPolarHBondContact CZ-OG 3.31Å; F79-Y194 AromaticContact CD1-CD2 3.69Å; F79-Y194 HydrophobicContact CD1-CD2 3.69Å; F79-Y194 AromaticContact CE1-CD2 3.66Å; F79-Y194 HydrophobicContact CE1-CD2 3.66Å; F79-Y194 HydrophobicContact CE1-CG 4.07Å; F79-Y194 HydrophobicContact CZ-CD2 4.43Å; F79-L197 HydrophobicContact CB-CD2 3.64Å; F79-L197 HydrophobicContact CD2-CD2 3.88Å; F79-L197 HydrophobicContact CG-CD2 3.77Å
80W82.5Confident74.9Confident109 Ų10991.1 Ų91.141%0.41348%0.477SS..Hα-helixtrans-66-35.1176.1-77.8108.4000112.1N76 A77 A83 L84 L190 Y194N76-W80 WeakPolarHBondContact O-CB 3.44Å; N76-W80 PolarHBondContact O-N 2.81Å; A77-W80 PolarHBondContact O-N 3.28Å; W80-A83 HydrophobicContact CE3-CB 4.36Å; W80-A83 WeakPolarHBondContact O-CB 3.42Å; W80-A83 PolarHBondContact O-N 3.42Å; W80-L84 HydrophobicContact CB-CD1 4.47Å; W80-L84 HydrophobicContact CE3-CG 4.47Å; W80-L84 WeakPolarHBondContact O-CB 2.97Å; W80-L84 WeakPolarHBondContact O-CD1 3.45Å; W80-L84 WeakPolarHBondContact O-CG 3.27Å; W80-L84 PolarHBondContact O-N 3.31Å; W80-L190 HydrophobicContact CH2-CD2 4.44Å; W80-L190 HydrophobicContact CZ3-CD2 4Å; W80-Y194 AromaticContact NE1-CE2 3.71Å
81F78.3Confident74.6Confident115 Ų11590.9 Ų90.950%0.50447%0.472SS..Hα-helixtrans-60.1-49.7172.3178-96.8000110.3A77 A78 F79 A83 L84 T85A77-F81 WeakPolarHBondContact O-CB 3.3Å; A77-F81 PolarHBondContact O-N 3.36Å; A78-F81 WeakPolarHBondContact O-CB 3.45Å; A78-F81 PolarHBondContact O-N 3.05Å; F79-F81 VanDerWaalsContact C-N 3.32Å; F79-F81 PolarHBondContact O-N 3.29Å; F81-A83 VanDerWaalsContact C-N 3.33Å; F81-A83 PolarHBondContact O-N 3.01Å; F81-L84 PolarHBondContact O-N 2.84Å; F81-T85 HydrophobicContact CD2-CG2 4.36Å; F81-T85 HydrophobicContact CE1-CG2 4.15Å; F81-T85 HydrophobicContact CE2-CG2 3.96Å; F81-T85 HydrophobicContact CZ-CG2 3.84Å; F81-T85 WeakPolarHBondContact O-CB 3.42Å; F81-T85 PolarHBondContact O-N 2.55Å; F81-T85 PolarHBondContact O-OG1 2.8Å
82F73.6Confident74.3Confident118 Ų11884.1 Ų84.152%0.51845%0.448SS..Hα-helixtrans-65-33.6175.5-74.1-61.8000113.4A78 F79 T85 L92A78-F82 HydrophobicContact CB-CE2 4.46Å; A78-F82 WeakPolarHBondContact O-CD2 3.33Å; A78-F82 PolarHBondContact O-N 3.29Å; F79-F82 PolarHBondContact O-N 2.83Å; F82-T85 WeakPolarHBondContact CA-OG1 3.44Å; F82-L92 HydrophobicContact CD1-CD1 3.63Å; F82-L92 HydrophobicContact CD1-CD2 4.5Å; F82-L92 HydrophobicContact CE1-CB 4.48Å; F82-L92 HydrophobicContact CE1-CD1 3.79Å; F82-L92 HydrophobicContact CE1-CD2 4.04Å; F82-L92 HydrophobicContact CE1-CG 4.32Å
83A75.2Confident74.1Confident33 Ų3388.4 Ų88.427%0.27347%0.468SS..Hα-helixtrans-68.5-39.8175.800000112.8F79 W80 F81 L190F79-A83 VanDerWaalsContact O-CB 3.26Å; F79-A83 WeakPolarHBondContact O-CB 3.13Å; F79-A83 PolarHBondContact O-N 3.49Å; W80-A83 HydrophobicContact CE3-CB 4.36Å; W80-A83 WeakPolarHBondContact O-CB 3.42Å; W80-A83 PolarHBondContact O-N 3.42Å; F81-A83 VanDerWaalsContact C-N 3.33Å; F81-A83 PolarHBondContact O-N 3.01Å; A83-L190 HydrophobicContact CB-CD1 3.33Å; A83-L190 HydrophobicContact CB-CD2 3.75Å; A83-L190 HydrophobicContact CB-CG 3.94Å
84L74.5Confident73.8Confident133 Ų13385.3 Ų85.370%0.69646%0.46SS*.Hα-helixtrans-90.7-20.7-175.8-65.1169.6000112.3W80 F81 S86W80-L84 HydrophobicContact CB-CD1 4.47Å; W80-L84 HydrophobicContact CE3-CG 4.47Å; W80-L84 WeakPolarHBondContact O-CB 2.97Å; W80-L84 WeakPolarHBondContact O-CD1 3.45Å; W80-L84 WeakPolarHBondContact O-CG 3.27Å; W80-L84 PolarHBondContact O-N 3.31Å; F81-L84 PolarHBondContact O-N 2.84Å; L84-S86 PolarHBondContact O-N 3.46Å
85T70.4Confident73.5Confident32 Ų3288.9 Ų88.920%0.19647%0.465CS..  trans-80.3107.817237.50000110.1F81 F82 L87F81-T85 HydrophobicContact CD2-CG2 4.36Å; F81-T85 HydrophobicContact CE1-CG2 4.15Å; F81-T85 HydrophobicContact CE2-CG2 3.96Å; F81-T85 HydrophobicContact CZ-CG2 3.84Å; F81-T85 WeakPolarHBondContact O-CB 3.42Å; F81-T85 PolarHBondContact O-N 2.55Å; F81-T85 PolarHBondContact O-OG1 2.8Å; F82-T85 WeakPolarHBondContact CA-OG1 3.44Å; T85-L87 HydrophobicContact CG2-CD1 3.69Å; T85-L87 HydrophobicContact CG2-CG 4.14Å; T85-L87 PolarHBondContact O-N 2.79Å
86S58.3Low73.1Confident125 Ų12587.9 Ų87.987%0.87446%0.464SS*.  trans-70.920.3164.357.70000113.1L84 R88L84-S86 PolarHBondContact O-N 3.46Å; S86-R88 PolarHBondContact O-N 3.31Å
87L60.1Low72.5Confident73 Ų7389.3 Ų89.338%0.38248%0.476SS..  trans-71.3122.2176.8-67.4169.7000107.5T85 L89 F91 L92T85-L87 HydrophobicContact CG2-CD1 3.69Å; T85-L87 HydrophobicContact CG2-CG 4.14Å; T85-L87 PolarHBondContact O-N 2.79Å; L87-L89 PolarHBondContact O-N 2.85Å; L87-F91 HydrophobicContact CB-CD1 4.17Å; L87-F91 HydrophobicContact CD1-CD1 4.18Å; L87-F91 HydrophobicContact CD1-CE1 4.15Å; L87-F91 HydrophobicContact CD2-CD1 4.08Å; L87-F91 HydrophobicContact CD2-CE1 4.21Å; L87-F91 HydrophobicContact CG-CD1 4.38Å; L87-L92 HydrophobicContact CB-CD1 4.36Å; L87-L92 HydrophobicContact CB-CG 4.2Å; L87-L92 HydrophobicContact CD1-CD2 4.26Å
88R69.9Low72.6Confident216 Ų21691.8 Ų91.882%0.81548%0.48SS*.  trans-44.7128.3177-74.3177.8173170.8-2.3109.1S86 V90 F91 L92S86-R88 PolarHBondContact O-N 3.31Å; R88-V90 PolarHBondContact O-N 3.27Å; R88-F91 WeakPolarHBondContact O-CA 3.25Å; R88-F91 WeakPolarHBondContact O-CB 3.49Å; R88-F91 PolarHBondContact O-N 2.85Å; R88-L92 PolarHBondContact O-N 3.35Å
89L63.1Low72.5Confident147 Ų14793.3 Ų93.377%0.7748%0.482SS*.Hα-helixtrans-47-32.8-179.6-72.4169.4000112.8L87 L92 L93L87-L89 PolarHBondContact O-N 2.85Å; L89-L92 PolarHBondContact O-N 3.39Å; L89-L93 WeakPolarHBondContact O-CB 3.44Å; L89-L93 PolarHBondContact O-N 2.85Å
90V69.4Low72.1Confident112 Ų11296.9 Ų96.968%0.67950%0.502SS*.Hα-helixtrans-61.5-40.7175-176.10000112.9R88 L93 A94R88-V90 PolarHBondContact O-N 3.27Å; V90-L93 PolarHBondContact O-N 3.22Å; V90-A94 VanDerWaalsContact O-CB 3.32Å; V90-A94 WeakPolarHBondContact O-CB 3.45Å; V90-A94 PolarHBondContact O-N 3.07Å
91F71.4Confident71.8Confident116 Ų11695.7 Ų95.751%0.50951%0.506SS..Hα-helixtrans-66.2-42.1176.6178-99.1000111.4L87 R88 A94 F95L87-F91 HydrophobicContact CB-CD1 4.17Å; L87-F91 HydrophobicContact CD1-CD1 4.18Å; L87-F91 HydrophobicContact CD1-CE1 4.15Å; L87-F91 HydrophobicContact CD2-CD1 4.08Å; L87-F91 HydrophobicContact CD2-CE1 4.21Å; L87-F91 HydrophobicContact CG-CD1 4.38Å; R88-F91 WeakPolarHBondContact O-CA 3.25Å; R88-F91 WeakPolarHBondContact O-CB 3.49Å; R88-F91 PolarHBondContact O-N 2.85Å; F91-A94 PolarHBondContact O-N 3.25Å; F91-F95 VanDerWaalsContact O-CB 3.24Å; F91-F95 WeakPolarHBondContact O-CB 3.34Å; F91-F95 PolarHBondContact O-N 3.49Å
92L70Confident71.5Confident23 Ų2393 Ų9312%0.1250%0.502CS..Hα-helixtrans-67.5-38.4175.7-70.2168.5000112.1F82 L87 R88 L89 F95 S96F82-L92 HydrophobicContact CD1-CD1 3.63Å; F82-L92 HydrophobicContact CD1-CD2 4.5Å; F82-L92 HydrophobicContact CE1-CB 4.48Å; F82-L92 HydrophobicContact CE1-CD1 3.79Å; F82-L92 HydrophobicContact CE1-CD2 4.04Å; F82-L92 HydrophobicContact CE1-CG 4.32Å; L87-L92 HydrophobicContact CB-CD1 4.36Å; L87-L92 HydrophobicContact CB-CG 4.2Å; L87-L92 HydrophobicContact CD1-CD2 4.26Å; R88-L92 PolarHBondContact O-N 3.35Å; L89-L92 PolarHBondContact O-N 3.39Å; L92-F95 PolarHBondContact O-N 2.91Å; L92-S96 VanDerWaalsContact O-CB 3.3Å; L92-S96 WeakPolarHBondContact O-CB 3.42Å; L92-S96 PolarHBondContact O-N 3.48Å; L92-S96 PolarHBondContact O-OG 3.13Å
93L71.3Confident71.4Confident119 Ų11992.4 Ų92.462%0.62350%0.502SS*.Hα-helixtrans-63.6-43.7174.2-165.999.7000111.1L89 V90 S96 S97L89-L93 WeakPolarHBondContact O-CB 3.44Å; L89-L93 PolarHBondContact O-N 2.85Å; V90-L93 PolarHBondContact O-N 3.22Å; L93-S96 WeakPolarHBondContact CA-OG 3.45Å; L93-S96 PolarHBondContact O-OG 3.01Å; L93-S97 VanDerWaalsContact O-CB 3.3Å; L93-S97 WeakPolarHBondContact O-CB 3.23Å; L93-S97 PolarHBondContact O-N 2.99Å; L93-S97 PolarHBondContact O-OG 3.21Å
94A75.6Confident71.1Confident56 Ų5694.5 Ų94.546%0.46351%0.509SS..Hα-helixtrans-65.5-43.5176.300000111.7V90 F91 S97 M98V90-A94 VanDerWaalsContact O-CB 3.32Å; V90-A94 WeakPolarHBondContact O-CB 3.45Å; V90-A94 PolarHBondContact O-N 3.07Å; F91-A94 PolarHBondContact O-N 3.25Å; A94-S97 PolarHBondContact O-N 2.9Å; A94-M98 WeakPolarHBondContact O-CB 3.29Å; A94-M98 PolarHBondContact O-N 2.78Å
95F74.5Confident71Confident110 Ų11092.6 Ų92.648%0.48250%0.496SS..Hα-helixtrans-66.5-43.1178.3-176.3-107000112.6F91 L92 M98 I99F91-F95 VanDerWaalsContact O-CB 3.24Å; F91-F95 WeakPolarHBondContact O-CB 3.34Å; F91-F95 PolarHBondContact O-N 3.49Å; L92-F95 PolarHBondContact O-N 2.91Å; F95-M98 WeakPolarHBondContact O-CB 3.19Å; F95-M98 PolarHBondContact O-N 3.47Å; F95-I99 HydrophobicContact CD1-CD1 3.7Å; F95-I99 HydrophobicContact CE1-CD1 3.27Å; F95-I99 HydrophobicContact CE1-CG1 4.27Å; F95-I99 HydrophobicContact CE2-CD1 4.47Å; F95-I99 HydrophobicContact CG-CD1 4.48Å; F95-I99 HydrophobicContact CZ-CD1 3.71Å; F95-I99 HydrophobicContact CZ-CG1 4.34Å; F95-I99 WeakPolarHBondContact O-CG1 3.37Å; F95-I99 PolarHBondContact O-N 3.4Å
96S72.9Confident70.9Confident51 Ų5197.8 Ų97.836%0.35751%0.513SS..Hα-helixtrans-64-42174.160.10000111.9L92 L93 M98 I99 I100L92-S96 VanDerWaalsContact O-CB 3.3Å; L92-S96 WeakPolarHBondContact O-CB 3.42Å; L92-S96 PolarHBondContact O-N 3.48Å; L92-S96 PolarHBondContact O-OG 3.13Å; L93-S96 WeakPolarHBondContact CA-OG 3.45Å; L93-S96 PolarHBondContact O-OG 3.01Å; S96-M98 VanDerWaalsContact C-N 3.3Å; S96-M98 PolarHBondContact O-N 3.41Å; S96-I99 PolarHBondContact O-N 3.14Å; S96-I100 VanDerWaalsContact O-CG1 3.24Å; S96-I100 WeakPolarHBondContact O-CG1 3.25Å; S96-I100 PolarHBondContact O-N 2.91Å
97S70.7Confident71.4Confident58 Ų5898.6 Ų98.641%0.40650%0.5SS..Hα-helixtrans-60.4-41.2173.2-59.10000111.5L93 A94 I100 V101L93-S97 VanDerWaalsContact O-CB 3.3Å; L93-S97 WeakPolarHBondContact O-CB 3.23Å; L93-S97 PolarHBondContact O-N 2.99Å; L93-S97 PolarHBondContact O-OG 3.21Å; A94-S97 PolarHBondContact O-N 2.9Å; S97-I100 PolarHBondContact O-N 2.95Å; S97-V101 WeakPolarHBondContact O-CG2 3.32Å; S97-V101 PolarHBondContact O-N 3.46Å
98M82.1Confident71.8Confident107 Ų10799.5 Ų99.553%0.52751%0.506SS..Hα-helixtrans-62.8-44.9175.7-176-91.6-177.800111.7A94 F95 S96 I100 V101 C102A94-M98 WeakPolarHBondContact O-CB 3.29Å; A94-M98 PolarHBondContact O-N 2.78Å; F95-M98 WeakPolarHBondContact O-CB 3.19Å; F95-M98 PolarHBondContact O-N 3.47Å; S96-M98 VanDerWaalsContact C-N 3.3Å; S96-M98 PolarHBondContact O-N 3.41Å; M98-I100 PolarHBondContact O-N 2.99Å; M98-V101 PolarHBondContact O-N 2.9Å; M98-C102 VanDerWaalsContact CE-SG 3.58Å; M98-C102 WeakPolarHBondContact O-CB 3.41Å; M98-C102 PolarHBondContact O-N 3.36Å; M98-C102 PolarHBondContact O-SG 2.79Å
99I76.9Confident71.3Confident70 Ų7095.6 Ų95.636%0.35950%0.495SS..Hα-helixtrans-60.8-44.2174.4-70.6168.8000111.3F95 S96 V101 C102 I103F95-I99 HydrophobicContact CD1-CD1 3.7Å; F95-I99 HydrophobicContact CE1-CD1 3.27Å; F95-I99 HydrophobicContact CE1-CG1 4.27Å; F95-I99 HydrophobicContact CE2-CD1 4.47Å; F95-I99 HydrophobicContact CG-CD1 4.48Å; F95-I99 HydrophobicContact CZ-CD1 3.71Å; F95-I99 HydrophobicContact CZ-CG1 4.34Å; F95-I99 WeakPolarHBondContact O-CG1 3.37Å; F95-I99 PolarHBondContact O-N 3.4Å; S96-I99 PolarHBondContact O-N 3.14Å; I99-V101 VanDerWaalsContact C-N 3.34Å; I99-V101 PolarHBondContact O-N 3.23Å; I99-C102 WeakPolarHBondContact O-CB 3.47Å; I99-C102 PolarHBondContact O-N 2.82Å; I99-I103 HydrophobicContact CG2-CD1 3.63Å; I99-I103 HydrophobicContact CG2-CG1 4.21Å; I99-I103 VanDerWaalsContact O-CG1 3.29Å; I99-I103 WeakPolarHBondContact O-CG1 3.14Å; I99-I103 PolarHBondContact O-N 3.48Å
100I74.2Confident71.4Confident111 Ų11191.5 Ų91.557%0.56947%0.473SS*.Hα-helixtrans-59.7-46.5178.4-69.6162.8000110.2S96 S97 M98 C102 I103 D104S96-I100 VanDerWaalsContact O-CG1 3.24Å; S96-I100 WeakPolarHBondContact O-CG1 3.25Å; S96-I100 PolarHBondContact O-N 2.91Å; S97-I100 PolarHBondContact O-N 2.95Å; M98-I100 PolarHBondContact O-N 2.99Å; I100-C102 VanDerWaalsContact C-N 3.35Å; I100-C102 PolarHBondContact O-N 2.76Å; I100-I103 PolarHBondContact O-N 3.03Å; I100-D104 WeakPolarHBondContact O-CB 3.28Å; I100-D104 PolarHBondContact O-N 2.81Å
101V76.4Confident70.9Confident84 Ų8493.2 Ų93.251%0.50947%0.467SS..Hα-helixtrans-63.2-41.4175.5173.60000110.8S97 M98 I99 I103 D104 Q105S97-V101 WeakPolarHBondContact O-CG2 3.32Å; S97-V101 PolarHBondContact O-N 3.46Å; M98-V101 PolarHBondContact O-N 2.9Å; I99-V101 VanDerWaalsContact C-N 3.34Å; I99-V101 PolarHBondContact O-N 3.23Å; V101-I103 PolarHBondContact O-N 3.5Å; V101-D104 PolarHBondContact O-N 2.91Å; V101-Q105 HydrophobicContact CG1-CG 4.12Å; V101-Q105 WeakPolarHBondContact O-CB 3.3Å; V101-Q105 WeakPolarHBondContact O-CG 3.45Å; V101-Q105 PolarHBondContact O-N 3.26Å
102C71.7Confident70.2Confident60 Ų6091.4 Ų91.441%0.40547%0.467SS..Hα-helixtrans-62.1-41.4175.9-73.40000112.4M98 I99 I100 W106M98-C102 VanDerWaalsContact CE-SG 3.58Å; M98-C102 WeakPolarHBondContact O-CB 3.41Å; M98-C102 PolarHBondContact O-N 3.36Å; M98-C102 PolarHBondContact O-SG 2.79Å; I99-C102 WeakPolarHBondContact O-CB 3.47Å; I99-C102 PolarHBondContact O-N 2.82Å; I100-C102 VanDerWaalsContact C-N 3.35Å; I100-C102 PolarHBondContact O-N 2.76Å; C102-W106 WeakPolarHBondContact O-CB 3.35Å; C102-W106 PolarHBondContact O-N 3.25Å
103I71.4Confident69.9Low104 Ų10498.1 Ų98.153%0.53350%0.498SS..Hα-helixtrans-67.4-42176.4-68.4168.6000110.4I99 I100 V101 W106 K107I99-I103 HydrophobicContact CG2-CD1 3.63Å; I99-I103 HydrophobicContact CG2-CG1 4.21Å; I99-I103 VanDerWaalsContact O-CG1 3.29Å; I99-I103 WeakPolarHBondContact O-CG1 3.14Å; I99-I103 PolarHBondContact O-N 3.48Å; I100-I103 PolarHBondContact O-N 3.03Å; V101-I103 PolarHBondContact O-N 3.5Å; I103-W106 PolarHBondContact O-N 2.91Å; I103-K107 VanDerWaalsContact O-CB 3.22Å; I103-K107 WeakPolarHBondContact O-CB 3.42Å; I103-K107 PolarHBondContact O-N 3.34Å
104D68.1Low69.1Low77 Ų7798.6 Ų98.641%0.41250%0.5SS..Hα-helixtrans-62.9-46.7177.2-172.766.1000111.1I100 V101 W106 K107 N108I100-D104 WeakPolarHBondContact O-CB 3.28Å; I100-D104 PolarHBondContact O-N 2.81Å; V101-D104 PolarHBondContact O-N 2.91Å; D104-W106 VanDerWaalsContact C-N 3.35Å; D104-W106 PolarHBondContact O-N 2.84Å; D104-K107 PolarHBondContact O-N 2.88Å; D104-N108 WeakPolarHBondContact O-CB 3.49Å; D104-N108 PolarHBondContact O-N 3.25Å; D104-N108 PolarHBondContact O-ND2 3.47Å; D104-N108 PolarHBondContact OD1-ND2 3.46Å; D104-N108 PolarHBondContact OD2-ND2 2.81Å; D104-N108 VanDerWaalsContact OD2-ND2 3.13Å
105Q72.3Confident67.7Low93 Ų93101.9 Ų101.944%0.43550%0.503SS..Hα-helixtrans-63.6-40.2173.9-67.7-62.6-38.800111.6V101 K109 I110V101-Q105 HydrophobicContact CG1-CG 4.12Å; V101-Q105 WeakPolarHBondContact O-CB 3.3Å; V101-Q105 WeakPolarHBondContact O-CG 3.45Å; V101-Q105 PolarHBondContact O-N 3.26Å; Q105-K109 WeakPolarHBondContact O-CA 3.5Å; Q105-K109 WeakPolarHBondContact O-CB 3.24Å; Q105-K109 PolarHBondContact O-N 2.76Å; Q105-I110 PolarHBondContact O-N 2.77Å
106W69.6Low66.2Low142 Ų142102.2 Ų102.254%0.53851%0.514SS..Iπ-helixtrans-64.2-44.9177-170.6-78.5000111.5C102 I103 D104 I110 W111C102-W106 WeakPolarHBondContact O-CB 3.35Å; C102-W106 PolarHBondContact O-N 3.25Å; I103-W106 PolarHBondContact O-N 2.91Å; D104-W106 VanDerWaalsContact C-N 3.35Å; D104-W106 PolarHBondContact O-N 2.84Å; W106-I110 HydrophobicContact CB-CD1 4.44Å; W106-I110 HydrophobicContact CD2-CB 4.22Å; W106-I110 HydrophobicContact CD2-CD1 3.84Å; W106-I110 HydrophobicContact CD2-CG2 4.19Å; W106-I110 HydrophobicContact CE3-CD1 3.36Å; W106-I110 HydrophobicContact CE3-CG2 4.46Å; W106-I110 HydrophobicContact CG-CB 4.33Å; W106-I110 HydrophobicContact CG-CD1 4.34Å; W106-I110 HydrophobicContact CH2-CG2 4.4Å; W106-I110 HydrophobicContact CZ2-CG2 4.14Å; W106-I110 HydrophobicContact CZ3-CD1 3.82Å; W106-I110 CarbonylContact O-C 3.57Å; W106-I110 WeakPolarHBondContact O-CA 3.12Å; W106-I110 WeakPolarHBondContact O-CB 3.18Å; W106-I110 PolarHBondContact O-N 3.41Å; W106-I110 VanDerWaalsContact O-N 3.07Å; W106-W111 AromaticContact NE1-CE3 3.93Å; W106-W111 PolarHBondContact O-N 3.26Å
107K68.6Low64.8Low142 Ų142105.8 Ų105.862%0.61754%0.536SS*.Iπ-helixtrans-71.3-39-179.4-175.4-178.4168.5-174.80112.2I103 D104 W111 P112I103-K107 VanDerWaalsContact O-CB 3.22Å; I103-K107 WeakPolarHBondContact O-CB 3.42Å; I103-K107 PolarHBondContact O-N 3.34Å; D104-K107 PolarHBondContact O-N 2.88Å; K107-W111 WeakPolarHBondContact O-CB 3.48Å; K107-P112 VanDerWaalsContact O-CD 3.28Å; K107-P112 WeakPolarHBondContact O-CD 3.26Å
108N67.7Low63.2Low92 Ų92113.4 Ų113.449%0.49256%0.556SS.*Iπ-helixtrans-90.3-22.4-173.7-61.7-22.6000112.9D104 P112D104-N108 WeakPolarHBondContact O-CB 3.49Å; D104-N108 PolarHBondContact O-N 3.25Å; D104-N108 PolarHBondContact O-ND2 3.47Å; D104-N108 PolarHBondContact OD1-ND2 3.46Å; D104-N108 PolarHBondContact OD2-ND2 2.81Å; D104-N108 VanDerWaalsContact OD2-ND2 3.13Å; N108-P112 VanDerWaalsContact O-CG 3.31Å; N108-P112 WeakPolarHBondContact O-CG 3.13Å
109K59.4Low61.4Low134 Ų134114 Ų11458%0.58357%0.568SS**Iπ-helixtrans-116.8-45.8-174.4-156.5175.9179.2178.50113.1Q105Q105-K109 WeakPolarHBondContact O-CA 3.5Å; Q105-K109 WeakPolarHBondContact O-CB 3.24Å; Q105-K109 PolarHBondContact O-N 2.76Å
110I65.3Low59.5Low60 Ų60116.2 Ų116.231%0.30858%0.58SS.*Iπ-helixtrans-88.9-41.6-172.1-58.8172.7000111.6Q105 W106 E113 I114Q105-I110 PolarHBondContact O-N 2.77Å; W106-I110 HydrophobicContact CB-CD1 4.44Å; W106-I110 HydrophobicContact CD2-CB 4.22Å; W106-I110 HydrophobicContact CD2-CD1 3.84Å; W106-I110 HydrophobicContact CD2-CG2 4.19Å; W106-I110 HydrophobicContact CE3-CD1 3.36Å; W106-I110 HydrophobicContact CE3-CG2 4.46Å; W106-I110 HydrophobicContact CG-CB 4.33Å; W106-I110 HydrophobicContact CG-CD1 4.34Å; W106-I110 HydrophobicContact CH2-CG2 4.4Å; W106-I110 HydrophobicContact CZ2-CG2 4.14Å; W106-I110 HydrophobicContact CZ3-CD1 3.82Å; W106-I110 CarbonylContact O-C 3.57Å; W106-I110 WeakPolarHBondContact O-CA 3.12Å; W106-I110 WeakPolarHBondContact O-CB 3.18Å; W106-I110 PolarHBondContact O-N 3.41Å; W106-I110 VanDerWaalsContact O-N 3.07Å; I110-E113 PolarHBondContact O-N 3.23Å; I110-I114 HydrophobicContact CG2-CD1 3.58Å; I110-I114 HydrophobicContact CG2-CG1 4.47Å; I110-I114 WeakPolarHBondContact O-CG1 3.33Å; I110-I114 PolarHBondContact O-N 2.86Å
111W58.5Low57.6Low149 Ų149114 Ų11456%0.56458%0.579SS**Hα-helixtrans-63-43.5179.7-160.8-93.1000114.3W106 K107 E113 K115W106-W111 AromaticContact NE1-CE3 3.93Å; W106-W111 PolarHBondContact O-N 3.26Å; K107-W111 WeakPolarHBondContact O-CB 3.48Å; W111-E113 VanDerWaalsContact C-N 3.3Å; W111-E113 PolarHBondContact O-N 2.78Å; W111-K115 WeakPolarHBondContact O-CB 3.43Å; W111-K115 PolarHBondContact O-N 3.43Å
112P57.7Low55.9Low77 Ų77117.4 Ų117.450%0.559%0.593SS.*Hα-helixtrans-70.8-24.7176.524.7-32.5000113.2K107 N108K107-P112 VanDerWaalsContact O-CD 3.28Å; K107-P112 WeakPolarHBondContact O-CD 3.26Å; N108-P112 VanDerWaalsContact O-CG 3.31Å; N108-P112 WeakPolarHBondContact O-CG 3.13Å
113E62.6Low54Low165 Ų165120.9 Ų120.977%0.77161%0.608SS**Hα-helixtrans-81.2-26.5-178.4-164.8155-170.100112.7I110 W111I110-E113 PolarHBondContact O-N 3.23Å; W111-E113 VanDerWaalsContact C-N 3.3Å; W111-E113 PolarHBondContact O-N 2.78Å
114I54.2Low52.2Low129 Ų129122.4 Ų122.466%0.66262%0.617SS**Hα-helixtrans-92.4-21.2177.1-62.6171.2000112I110 V116I110-I114 HydrophobicContact CG2-CD1 3.58Å; I110-I114 HydrophobicContact CG2-CG1 4.47Å; I110-I114 WeakPolarHBondContact O-CG1 3.33Å; I110-I114 PolarHBondContact O-N 2.86Å; I114-V116 PolarHBondContact O-N 2.87Å
115K45.9Very low50.9Low124 Ų124126.7 Ų126.754%0.53964%0.635SS.*SBendtrans-88.293.6-177.3-154.7161.8-174.7-177.70109.9W111W111-K115 WeakPolarHBondContact O-CB 3.43Å; W111-K115 PolarHBondContact O-N 3.43Å
116V44.7Very low49.3Very low118 Ų118126.2 Ų126.272%0.71564%0.641SS**  trans-43.6131.7166.4178.50000109I114 R118I114-V116 PolarHBondContact O-N 2.87Å; V116-R118 PolarHBondContact O-N 3.08Å
117P42.2Very low48.1Very low125 Ų125130.7 Ų130.781%0.81266%0.658SS**  trans-5599176.7-25.433.7000110.8
118R38.4Very low46.6Very low219 Ų219127 Ų12783%0.82666%0.661SS**  trans-103115.8161.6-91.7-169.1178.1169.20.4107.1V116 D120V116-R118 PolarHBondContact O-N 3.08Å; R118-D120 PolarHBondContact O-N 3.39Å
119P43.8Very low45.1Very low120 Ų120129.8 Ų129.878%0.77967%0.669SS**SBendtrans-78.228.4-174.531.4-33.5000114.7
120D35.7Very low44Very low116 Ų116129.9 Ų129.962%0.6268%0.68SS**  trans-136.436.2-170-49.9-46.5000114.7R118 N124R118-D120 PolarHBondContact O-N 3.39Å; D120-N124 PolarHBondContact O-ND2 3.29Å
121A35.9Very low42.5Very low64 Ų64130.8 Ų130.853%0.52968%0.683SS.*SBendtrans-115.7-0.9177.600000115.1
122L40.4Very low41.8Very low156 Ų156129.9 Ų129.982%0.81770%0.696SS**SBendtrans-90.4-12.5174.4-90.6158.6000113.5
123D32Very low40.9Very low132 Ų132135.1 Ų135.171%0.70671%0.706SS**SBendtrans-1030.7-177-69-18000114.3
124N33.8Very low39.8Very low136 Ų136129.6 Ų129.673%0.72768%0.681SS**THydrogen-bonded Turntrans-94.45.2-179.2-72.4-30.1000114.6D120D120-N124 PolarHBondContact O-ND2 3.29Å
125E40.2Very low39.5Very low168 Ų168126.8 Ų126.879%0.78567%0.667SS**THydrogen-bonded Turntrans-101.6-0.1175.7-69.6-176.7125.100113.3
126S39.5Very low39.8Very low82 Ų82123.1 Ų123.157%0.57366%0.657SS**SBendtrans-100.2-13-171.7176.70000116
127W42.9Very low40Very low237 Ų237120.6 Ų120.690%0.89864%0.642SS**SBendtrans-141.9110.7-174.1-70.392.7000113
128G38Very low40.4Very low65 Ų65118.3 Ų118.367%0.6763%0.627SS**SBendtrans108.153148.400000117.4
129F35.9Very low41.1Very low150 Ų150112.6 Ų112.666%0.65861%0.61SS**  trans-139.853.1147.4-119.2-96.9000110.7H131F129-H131 AromaticContact CD1-CE1 3.32Å; F129-H131 WeakPolarHBondContact CD1-CE1 3.33Å; F129-H131 AromaticContact CD1-CG 3.83Å; F129-H131 AromaticContact CD1-ND1 3.07Å; F129-H131 WeakPolarHBondContact CD1-ND1 3.18Å; F129-H131 AromaticContact CE1-CD2 3.99Å; F129-H131 AromaticContact CE1-CE1 2.86Å; F129-H131 WeakPolarHBondContact CE1-CE1 3.28Å; F129-H131 AromaticContact CE1-CG 3.88Å; F129-H131 AromaticContact CE1-ND1 3.17Å; F129-H131 WeakPolarHBondContact CE1-ND1 3.32Å; F129-H131 AromaticContact CE1-NE2 3.4Å; F129-H131 WeakPolarHBondContact CE1-NE2 3.2Å; F129-H131 AromaticContact CG-ND1 3.89Å; F129-H131 AromaticContact CZ-CE1 3.34Å; F129-H131 WeakPolarHBondContact CZ-CE1 3.38Å; F129-H131 AromaticContact CZ-NE2 3.95Å; F129-H131 PolarHBondContact O-N 3.32Å
130V36.5Very low41.7Very low136 Ų136109.5 Ų109.582%0.82459%0.587SS**  trans-7381.1160.8-172.60000106.9P132V130-P132 WeakPolarHBondContact O-CD 3.49Å
131H33.3Very low42.6Very low79 Ų79104.6 Ų104.637%0.36656%0.561SS.*  trans-80.1118.8164.5-89.547.6000107.6E63 F129 R133 L134E63-H131 IonicContact OE1-CD2 3.28Å; E63-H131 IonicContact OE1-CG 2.69Å; F129-H131 AromaticContact CD1-CE1 3.32Å; F129-H131 WeakPolarHBondContact CD1-CE1 3.33Å; F129-H131 AromaticContact CD1-CG 3.83Å; F129-H131 AromaticContact CD1-ND1 3.07Å; F129-H131 WeakPolarHBondContact CD1-ND1 3.18Å; F129-H131 AromaticContact CE1-CD2 3.99Å; F129-H131 AromaticContact CE1-CE1 2.86Å; F129-H131 WeakPolarHBondContact CE1-CE1 3.28Å; F129-H131 AromaticContact CE1-CG 3.88Å; F129-H131 AromaticContact CE1-ND1 3.17Å; F129-H131 WeakPolarHBondContact CE1-ND1 3.32Å; F129-H131 AromaticContact CE1-NE2 3.4Å; F129-H131 WeakPolarHBondContact CE1-NE2 3.2Å; F129-H131 AromaticContact CG-ND1 3.89Å; F129-H131 AromaticContact CZ-CE1 3.34Å; F129-H131 WeakPolarHBondContact CZ-CE1 3.38Å; F129-H131 AromaticContact CZ-NE2 3.95Å; F129-H131 PolarHBondContact O-N 3.32Å; H131-R133 PolarHBondContact O-N 2.76Å; H131-L134 HydrophobicContact CB-CD1 3.6Å; H131-L134 PolarHBondContact O-N 2.79Å
132P43.4Very low43.4Very low129 Ų129105.9 Ų105.984%0.83856%0.556SS**THydrogen-bonded Turntrans-71.627.2-173.229.6-35.5000114V130V130-P132 WeakPolarHBondContact O-CD 3.49Å
133R39.3Very low44.1Very low188 Ų188102.9 Ų102.971%0.70954%0.538SS*.THydrogen-bonded Turntrans-136.40-179.5-76.7-161.8175.6-162.91.6114.8H131H131-R133 PolarHBondContact O-N 2.76Å
134L39.3Very low45.4Very low48 Ų4899.8 Ų99.825%0.25152%0.523SS..SBendtrans-94119167-69.8117000107.9A58 E63 H131 S136A58-L134 HydrophobicContact CB-CD2 4.1Å; E63-L134 WeakPolarHBondContact OE1-CD1 3.33Å; H131-L134 HydrophobicContact CB-CD1 3.6Å; H131-L134 PolarHBondContact O-N 2.79Å; L134-S136 PolarHBondContact O-N 3.31Å
135L47.8Very low46.4Very low70 Ų7093.3 Ų93.337%0.36649%0.489SS..PPolyproline II helixtrans-47.6125.6171.6-91.579.8000108.6Q57Q57-L135 PolarHBondContact NE2-O 2.76Å
136S51.7Low47.6Very low48 Ų4890.2 Ų90.234%0.33647%0.474SS..PPolyproline II helixtrans-61.7142.2-176.458.30000110.1L134 P138 E139 L140L134-S136 PolarHBondContact O-N 3.31Å; S136-P138 VanDerWaalsContact O-N 3.09Å; S136-E139 PolarHBondContact N-OE2 3.42Å; S136-E139 WeakPolarHBondContact O-CA 3.16Å; S136-E139 WeakPolarHBondContact O-CB 3.35Å; S136-E139 PolarHBondContact O-N 3.35Å; S136-E139 VanDerWaalsContact OG-CD 3.3Å; S136-E139 VanDerWaalsContact OG-CG 3.23Å; S136-E139 WeakPolarHBondContact OG-CG 3.08Å; S136-E139 PolarHBondContact OG-N 3.43Å; S136-E139 PolarHBondContact OG-OE2 2.83Å; S136-L140 PolarHBondContact O-N 2.93Å; S136-L140 VanDerWaalsContact O-N 3.08Å
137V50.6Low48.8Very low64 Ų6491.4 Ų91.439%0.38848%0.478SS..Hα-helixtrans-42.3-39.8171.2175.80000112.5E50 C141E50-V137 HydrophobicContact CG-CG1 4.44Å; E50-V137 HydrophobicContact CG-CG2 4.24Å; V137-C141 VanDerWaalsContact O-CB 3.31Å; V137-C141 WeakPolarHBondContact O-CB 3.23Å; V137-C141 PolarHBondContact O-N 3.36Å
138P49Very low49.9Very low78 Ų7887.6 Ų87.651%0.50646%0.463SS..Hα-helixtrans-67.1-33.1171.719.2-30.9000116S136 H142S136-P138 VanDerWaalsContact O-N 3.09Å; P138-H142 WeakPolarHBondContact O-CB 3.32Å; P138-H142 PolarHBondContact O-N 3.21Å
139E54.2Low51.3Low98 Ų9884.8 Ų84.846%0.45843%0.433SS..Hα-helixtrans-70.8-38.8174.4-79.2168.9147.600112.3S136 C141 H142 H143S136-E139 PolarHBondContact N-OE2 3.42Å; S136-E139 WeakPolarHBondContact O-CA 3.16Å; S136-E139 WeakPolarHBondContact O-CB 3.35Å; S136-E139 PolarHBondContact O-N 3.35Å; S136-E139 VanDerWaalsContact OG-CD 3.3Å; S136-E139 VanDerWaalsContact OG-CG 3.23Å; S136-E139 WeakPolarHBondContact OG-CG 3.08Å; S136-E139 PolarHBondContact OG-N 3.43Å; S136-E139 PolarHBondContact OG-OE2 2.83Å; E139-C141 VanDerWaalsContact C-N 3.32Å; E139-H142 PolarHBondContact O-N 2.89Å; E139-H143 PolarHBondContact O-CD2 3.37Å; E139-H143 PolarHBondContact O-N 3.14Å
140L56.9Low52.9Low56 Ų5681.2 Ų81.229%0.29343%0.427SS..Hα-helixtrans-65.3-41.3174.5-154.482.1000110.4L53 S136 H142 H143 V144L53-L140 HydrophobicContact CD2-CD2 4.05Å; S136-L140 PolarHBondContact O-N 2.93Å; S136-L140 VanDerWaalsContact O-N 3.08Å; L140-H142 VanDerWaalsContact C-N 3.32Å; L140-H142 PolarHBondContact O-N 2.84Å; L140-H143 PolarHBondContact O-N 3.36Å; L140-V144 WeakPolarHBondContact O-CB 3.44Å; L140-V144 VanDerWaalsContact O-CG2 3.24Å; L140-V144 WeakPolarHBondContact O-CG2 3.3Å; L140-V144 PolarHBondContact O-N 2.94Å
141C53.2Low54.1Low12 Ų1276.1 Ų76.18%0.08140%0.401CS..Hα-helixtrans-63.6-38.9174.8-165.70000111.7Q39 V137 E139 A145Q39-C141 VanDerWaalsContact CG-SG 3.6Å; V137-C141 VanDerWaalsContact O-CB 3.31Å; V137-C141 WeakPolarHBondContact O-CB 3.23Å; V137-C141 PolarHBondContact O-N 3.36Å; E139-C141 VanDerWaalsContact C-N 3.32Å; C141-A145 WeakPolarHBondContact O-CB 3.47Å; C141-A145 PolarHBondContact O-N 3.47Å
142H54.1Low55.4Low91 Ų9175.1 Ų75.142%0.42140%0.401SS..Hα-helixtrans-64.8-45.6175.3-171.770.2000112.1P138 E139 L140 A145 E146P138-H142 WeakPolarHBondContact O-CB 3.32Å; P138-H142 PolarHBondContact O-N 3.21Å; E139-H142 PolarHBondContact O-N 2.89Å; L140-H142 VanDerWaalsContact C-N 3.32Å; L140-H142 PolarHBondContact O-N 2.84Å; H142-A145 PolarHBondContact O-N 3.47Å; H142-E146 VanDerWaalsContact O-CB 3.3Å; H142-E146 WeakPolarHBondContact O-CB 3.3Å; H142-E146 PolarHBondContact O-N 3.3Å
143H55.1Low56.8Low94 Ų9471.4 Ų71.444%0.43537%0.374SS..Hα-helixtrans-67.8-38.4176.8-76-48000113.2E139 L140 A145 E146 V147E139-H143 PolarHBondContact O-CD2 3.37Å; E139-H143 PolarHBondContact O-N 3.14Å; L140-H143 PolarHBondContact O-N 3.36Å; H143-A145 VanDerWaalsContact C-N 3.35Å; H143-E146 IonicContact ND1-OE2 3.42Å; H143-E146 PolarHBondContact ND1-OE2 2.88Å; H143-E146 PolarHBondContact O-N 3.24Å; H143-V147 WeakPolarHBondContact O-CB 3.3Å; H143-V147 VanDerWaalsContact O-CG2 3.26Å; H143-V147 WeakPolarHBondContact O-CG2 3.4Å; H143-V147 PolarHBondContact O-N 2.81Å
144V59.6Low58.2Low67 Ų6768.9 Ų68.941%0.40637%0.368SS..Hα-helixtrans-66.3-40.5174.5172.80000110.4L42 L140 V147 W148L42-V144 HydrophobicContact CD2-CB 4.31Å; L42-V144 HydrophobicContact CD2-CG1 3.57Å; L140-V144 WeakPolarHBondContact O-CB 3.44Å; L140-V144 VanDerWaalsContact O-CG2 3.24Å; L140-V144 WeakPolarHBondContact O-CG2 3.3Å; L140-V144 PolarHBondContact O-N 2.94Å; V144-V147 PolarHBondContact O-N 3.33Å; V144-W148 WeakPolarHBondContact O-CB 3.23Å; V144-W148 PolarHBondContact O-N 3.22Å
145A53Low59.6Low0 Ų071.1 Ų71.10%038%0.379CS..Hα-helixtrans-65.8-37.9174.800000111.7V35 Q39 C141 H142 H143 W148 V149V35-A145 HydrophobicContact CG1-CB 3.88Å; Q39-A145 HydrophobicContact CB-CB 4.37Å; C141-A145 WeakPolarHBondContact O-CB 3.47Å; C141-A145 PolarHBondContact O-N 3.47Å; H142-A145 PolarHBondContact O-N 3.47Å; H143-A145 VanDerWaalsContact C-N 3.35Å; A145-W148 PolarHBondContact O-N 2.78Å; A145-V149 WeakPolarHBondContact O-CB 3.32Å; A145-V149 VanDerWaalsContact O-CG2 3.31Å; A145-V149 WeakPolarHBondContact O-CG2 3.24Å; A145-V149 PolarHBondContact O-N 3.48Å
146E65.9Low60.7Low103 Ų10375.9 Ų75.948%0.48139%0.393SS..Hα-helixtrans-65.2-45.1175.2-169.6-176.7-17300111.6H142 H143 V149 S150H142-E146 VanDerWaalsContact O-CB 3.3Å; H142-E146 WeakPolarHBondContact O-CB 3.3Å; H142-E146 PolarHBondContact O-N 3.3Å; H143-E146 IonicContact ND1-OE2 3.42Å; H143-E146 PolarHBondContact ND1-OE2 2.88Å; H143-E146 PolarHBondContact O-N 3.24Å; E146-V149 PolarHBondContact O-N 2.84Å; E146-S150 WeakPolarHBondContact O-CB 3.41Å; E146-S150 PolarHBondContact O-N 3.22Å
147V64.3Low61.7Low106 Ų10677.7 Ų77.764%0.64240%0.398SS*.Hα-helixtrans-65.5-39.5174.8171.40000111.1H143 V144 G151H143-V147 WeakPolarHBondContact O-CB 3.3Å; H143-V147 VanDerWaalsContact O-CG2 3.26Å; H143-V147 WeakPolarHBondContact O-CG2 3.4Å; H143-V147 PolarHBondContact O-N 2.81Å; V144-V147 PolarHBondContact O-N 3.33Å; V147-G151 PolarHBondContact O-N 3.44Å
148W67.1Low62.5Low157 Ų15777.3 Ų77.360%0.59539%0.394SS*.Hα-helixtrans-65.3-46177-177.9-94.8000111.7V144 A145 G151 T152V144-W148 WeakPolarHBondContact O-CB 3.23Å; V144-W148 PolarHBondContact O-N 3.22Å; A145-W148 PolarHBondContact O-N 2.78Å; W148-G151 PolarHBondContact O-N 3.39Å; W148-T152 VanDerWaalsContact O-CG2 3.32Å; W148-T152 WeakPolarHBondContact O-CG2 3.29Å; W148-T152 PolarHBondContact O-N 3.35Å; W148-T152 PolarHBondContact O-OG1 3.49Å
149V67.4Low63.4Low7 Ų778 Ų784%0.04239%0.393CS..Hα-helixtrans-69-40.6177.7171.30000110.9V35 A145 E146 G151 T152 I153V35-V149 HydrophobicContact CB-CG2 4.28Å; V35-V149 HydrophobicContact CG2-CB 3.73Å; V35-V149 HydrophobicContact CG2-CG1 3.88Å; V35-V149 HydrophobicContact CG2-CG2 3.49Å; V35-V149 VanDerWaalsContact CG2-CG2 3.49Å; A145-V149 WeakPolarHBondContact O-CB 3.32Å; A145-V149 VanDerWaalsContact O-CG2 3.31Å; A145-V149 WeakPolarHBondContact O-CG2 3.24Å; A145-V149 PolarHBondContact O-N 3.48Å; E146-V149 PolarHBondContact O-N 2.84Å; V149-G151 VanDerWaalsContact C-N 3.34Å; V149-G151 PolarHBondContact O-N 2.84Å; V149-T152 WeakPolarHBondContact CA-OG1 3.31Å; V149-T152 PolarHBondContact O-N 2.78Å; V149-T152 PolarHBondContact O-OG1 3.46Å; V149-I153 HydrophobicContact CG1-CD1 3.69Å; V149-I153 HydrophobicContact CG1-CG1 4.41Å; V149-I153 WeakPolarHBondContact O-CB 3.49Å; V149-I153 VanDerWaalsContact O-CD1 3.3Å; V149-I153 WeakPolarHBondContact O-CD1 3.15Å; V149-I153 WeakPolarHBondContact O-CG1 3.43Å; V149-I153 PolarHBondContact O-N 3.02Å
150S68.3Low64.1Low75 Ų7576.9 Ų76.952%0.52439%0.39SS..Hα-helixtrans-61.7-42.2172.4-171.60000111.9E146 I153 F154E146-S150 WeakPolarHBondContact O-CB 3.41Å; E146-S150 PolarHBondContact O-N 3.22Å; S150-I153 PolarHBondContact O-N 3.39Å; S150-F154 VanDerWaalsContact O-CB 3.29Å; S150-F154 WeakPolarHBondContact O-CB 3.22Å; S150-F154 PolarHBondContact O-N 3.44Å
151G61.9Low64.4Low28 Ų2877.7 Ų77.729%0.28939%0.391SS..Hα-helixtrans-63.9-44.5176.100000112.8V147 W148 V149 F154 I155V147-G151 PolarHBondContact O-N 3.44Å; W148-G151 PolarHBondContact O-N 3.39Å; V149-G151 VanDerWaalsContact C-N 3.34Å; V149-G151 PolarHBondContact O-N 2.84Å; G151-F154 PolarHBondContact O-N 3.3Å; G151-I155 WeakPolarHBondContact O-CB 3.43Å; G151-I155 VanDerWaalsContact O-CG1 3.23Å; G151-I155 WeakPolarHBondContact O-CG1 3.15Å; G151-I155 PolarHBondContact O-N 2.86Å
152T61.1Low65.2Low58 Ų5882.4 Ų82.436%0.35641%0.41SS..Hα-helixtrans-66.7-38.2176.652.10000112W148 V149 R156W148-T152 VanDerWaalsContact O-CG2 3.32Å; W148-T152 WeakPolarHBondContact O-CG2 3.29Å; W148-T152 PolarHBondContact O-N 3.35Å; W148-T152 PolarHBondContact O-OG1 3.49Å; V149-T152 WeakPolarHBondContact CA-OG1 3.31Å; V149-T152 PolarHBondContact O-N 2.78Å; V149-T152 PolarHBondContact O-OG1 3.46Å; T152-R156 VanDerWaalsContact O-CB 3.25Å; T152-R156 WeakPolarHBondContact O-CB 3.41Å; T152-R156 PolarHBondContact O-N 3.05Å
153I73.1Confident65.8Low52 Ų5286.6 Ų86.627%0.26743%0.427SS..Hα-helixtrans-64.6-43.4172.5-67.7161.3000110.7R31 V149 S150 R156 N157R31-I153 VanDerWaalsContact CD-CD1 3.44Å; R31-I153 HydrophobicContact CG-CD1 3.88Å; V149-I153 HydrophobicContact CG1-CD1 3.69Å; V149-I153 HydrophobicContact CG1-CG1 4.41Å; V149-I153 WeakPolarHBondContact O-CB 3.49Å; V149-I153 VanDerWaalsContact O-CD1 3.3Å; V149-I153 WeakPolarHBondContact O-CD1 3.15Å; V149-I153 WeakPolarHBondContact O-CG1 3.43Å; V149-I153 PolarHBondContact O-N 3.02Å; S150-I153 PolarHBondContact O-N 3.39Å; I153-R156 PolarHBondContact O-N 3.4Å; I153-N157 WeakPolarHBondContact O-CB 3.31Å; I153-N157 PolarHBondContact O-N 3.49Å; I153-N157 PolarHBondContact O-ND2 2.81Å
154F69.5Low66.4Low134 Ų13489 Ų8959%0.58844%0.438SS*.Hα-helixtrans-63.6-46.3177.8180-99.8000111.6S150 G151 R156 N157 L158S150-F154 VanDerWaalsContact O-CB 3.29Å; S150-F154 WeakPolarHBondContact O-CB 3.22Å; S150-F154 PolarHBondContact O-N 3.44Å; G151-F154 PolarHBondContact O-N 3.3Å; F154-R156 VanDerWaalsContact C-N 3.31Å; F154-R156 PolarHBondContact O-N 2.88Å; F154-N157 CarbonylContact O-C 3.6Å; F154-N157 PolarHBondContact O-N 3.34Å; F154-L158 VanDerWaalsContact O-CB 3.3Å; F154-L158 WeakPolarHBondContact O-CB 3.3Å; F154-L158 PolarHBondContact O-N 2.89Å
155I68.1Low66.6Low96 Ų9688.6 Ų88.649%0.49243%0.434SS..Hα-helixtrans-61.6-41.8174.8-68.2164.2000110.1G151 N157 L158 L159G151-I155 WeakPolarHBondContact O-CB 3.43Å; G151-I155 VanDerWaalsContact O-CG1 3.23Å; G151-I155 WeakPolarHBondContact O-CG1 3.15Å; G151-I155 PolarHBondContact O-N 2.86Å; I155-N157 PolarHBondContact O-N 2.89Å; I155-L158 WeakPolarHBondContact O-CB 3.35Å; I155-L158 PolarHBondContact O-N 2.81Å; I155-L159 HydrophobicContact CG2-CD1 3.93Å; I155-L159 HydrophobicContact CG2-CG 4.29Å; I155-L159 WeakPolarHBondContact O-CB 3.37Å; I155-L159 VanDerWaalsContact O-CG 3.23Å; I155-L159 WeakPolarHBondContact O-CG 3.16Å; I155-L159 PolarHBondContact O-N 2.81Å
156R71.4Confident67.5Low170 Ų17092.9 Ų92.964%0.64246%0.462SS*.Hα-helixtrans-62.4-43.5175.9-163.6172.390.7158.83.9111.3T152 I153 F154 L158 L159 L160T152-R156 VanDerWaalsContact O-CB 3.25Å; T152-R156 WeakPolarHBondContact O-CB 3.41Å; T152-R156 PolarHBondContact O-N 3.05Å; I153-R156 PolarHBondContact O-N 3.4Å; F154-R156 VanDerWaalsContact C-N 3.31Å; F154-R156 PolarHBondContact O-N 2.88Å; R156-L158 VanDerWaalsContact C-N 3.33Å; R156-L158 PolarHBondContact O-N 3.39Å; R156-L159 PolarHBondContact O-N 3.3Å; R156-L160 WeakPolarHBondContact O-CB 3.3Å; R156-L160 WeakPolarHBondContact O-CG 3.47Å; R156-L160 PolarHBondContact O-N 2.86Å
157N72.8Confident67.8Low86 Ų8690.1 Ų90.146%0.4646%0.461SS..Hα-helixtrans-64.7-37175-71.6-21.6000112I153 F154 I155 L160 F161I153-N157 WeakPolarHBondContact O-CB 3.31Å; I153-N157 PolarHBondContact O-N 3.49Å; I153-N157 PolarHBondContact O-ND2 2.81Å; F154-N157 CarbonylContact O-C 3.6Å; F154-N157 PolarHBondContact O-N 3.34Å; I155-N157 PolarHBondContact O-N 2.89Å; N157-L160 PolarHBondContact O-N 3.32Å; N157-F161 VanDerWaalsContact O-CB 3.3Å; N157-F161 WeakPolarHBondContact O-CB 3.15Å; N157-F161 PolarHBondContact O-N 2.83Å
158L67.3Low68.2Low55 Ų5591 Ų9129%0.28846%0.456SS..Hα-helixtrans-67.8-38.3175.6-169.867.9000111.6F154 I155 R156 F161 K162 F169 L172F154-L158 VanDerWaalsContact O-CB 3.3Å; F154-L158 WeakPolarHBondContact O-CB 3.3Å; F154-L158 PolarHBondContact O-N 2.89Å; I155-L158 WeakPolarHBondContact O-CB 3.35Å; I155-L158 PolarHBondContact O-N 2.81Å; R156-L158 VanDerWaalsContact C-N 3.33Å; R156-L158 PolarHBondContact O-N 3.39Å; L158-F161 WeakPolarHBondContact O-CB 3.24Å; L158-F161 PolarHBondContact O-N 2.82Å; L158-K162 PolarHBondContact O-N 3.48Å; L158-F169 HydrophobicContact CD1-CD2 4.01Å; L158-F169 HydrophobicContact CD1-CE2 3.78Å; L158-F169 HydrophobicContact CD2-CE2 4.18Å; L158-F169 HydrophobicContact CG-CD2 4.3Å; L158-F169 HydrophobicContact CG-CE2 3.69Å; L158-L172 HydrophobicContact CD1-CD2 4.33Å
159L66.1Low68.5Low94 Ų9485.7 Ų85.749%0.49244%0.437SS..Hα-helixtrans-70.6-36.7173.6-70.7172.6000112.1I155 R156 F161 K162 K163I155-L159 HydrophobicContact CG2-CD1 3.93Å; I155-L159 HydrophobicContact CG2-CG 4.29Å; I155-L159 WeakPolarHBondContact O-CB 3.37Å; I155-L159 VanDerWaalsContact O-CG 3.23Å; I155-L159 WeakPolarHBondContact O-CG 3.16Å; I155-L159 PolarHBondContact O-N 2.81Å; R156-L159 PolarHBondContact O-N 3.3Å; L159-F161 VanDerWaalsContact C-N 3.32Å; L159-K162 WeakPolarHBondContact O-CB 3.49Å; L159-K162 PolarHBondContact O-N 2.82Å; L159-K163 PolarHBondContact O-N 2.81Å; L159-K163 VanDerWaalsContact O-N 3.07Å
160L70.2Confident68.7Low74 Ų7488.9 Ų88.939%0.38746%0.459SS..Hα-helixtrans-65.2-38.2170.5-71.3171.7000110.9R156 N157 K163 Q164R156-L160 WeakPolarHBondContact O-CB 3.3Å; R156-L160 WeakPolarHBondContact O-CG 3.47Å; R156-L160 PolarHBondContact O-N 2.86Å; N157-L160 PolarHBondContact O-N 3.32Å; L160-K163 PolarHBondContact O-N 2.89Å; L160-Q164 WeakPolarHBondContact O-CB 3.43Å; L160-Q164 WeakPolarHBondContact O-CG 3.36Å; L160-Q164 PolarHBondContact O-N 3.36Å
161F63.8Low69.2Low72 Ų7291.6 Ų91.632%0.31647%0.467SS..Hα-helixtrans-66-38.1174.5-169.3-104.7000112.1N157 L158 L159 K163 Q164 N165 K168 F169N157-F161 VanDerWaalsContact O-CB 3.3Å; N157-F161 WeakPolarHBondContact O-CB 3.15Å; N157-F161 PolarHBondContact O-N 2.83Å; L158-F161 WeakPolarHBondContact O-CB 3.24Å; L158-F161 PolarHBondContact O-N 2.82Å; L159-F161 VanDerWaalsContact C-N 3.32Å; F161-K163 VanDerWaalsContact C-N 3.32Å; F161-K163 PolarHBondContact O-N 3.41Å; F161-Q164 PolarHBondContact O-N 2.93Å; F161-N165 CarbonylContact O-C 3.57Å; F161-N165 PolarHBondContact O-N 2.82Å; F161-K168 HydrophobicContact CE1-CB 3.87Å; F161-K168 HydrophobicContact CZ-CB 3.67Å; F161-K168 HydrophobicContact CZ-CD 4.33Å; F161-F169 HydrophobicContact CD1-CB 3.93Å; F161-F169 HydrophobicContact CD1-CD2 4.24Å; F161-F169 HydrophobicContact CE1-CB 4.22Å
162K69.9Low69.9Low112 Ų11294.3 Ų94.349%0.48747%0.474SS..Hα-helixtrans-59.7-40.6170.4-179.8179.7177.3177.50112L158 L159 F169L158-K162 PolarHBondContact O-N 3.48Å; L159-K162 WeakPolarHBondContact O-CB 3.49Å; L159-K162 PolarHBondContact O-N 2.82Å; K162-F169 HydrophobicContact CB-CB 4.43Å; K162-F169 HydrophobicContact CB-CD1 3.93Å; K162-F169 HydrophobicContact CB-CD2 4.18Å; K162-F169 HydrophobicContact CB-CE1 4.24Å; K162-F169 HydrophobicContact CB-CE2 4.49Å; K162-F169 HydrophobicContact CB-CG 3.89Å; K162-F169 HydrophobicContact CD-CD1 4.17Å; K162-F169 HydrophobicContact CD-CE1 3.87Å; K162-F169 HydrophobicContact CD-CZ 4.39Å; K162-F169 HydrophobicContact CG-CD1 3.78Å; K162-F169 HydrophobicContact CG-CE1 4Å; K162-F169 HydrophobicContact CG-CG 4.24Å
163K65.8Low70.3Confident179 Ų17993.3 Ų93.378%0.77847%0.47SS*.Hα-helixtrans-73.6-39.2178.4-74.4-172.6176.6-173.50113.3L159 L160 F161L159-K163 PolarHBondContact O-N 2.81Å; L159-K163 VanDerWaalsContact O-N 3.07Å; L160-K163 PolarHBondContact O-N 2.89Å; F161-K163 VanDerWaalsContact C-N 3.32Å; F161-K163 PolarHBondContact O-N 3.41Å
164Q67.6Low70.1Confident144 Ų14493.9 Ų93.967%0.67348%0.478SS*.Hα-helixtrans-80.5-34.2-177.2-72178.57.300113.4L160 F161L160-Q164 WeakPolarHBondContact O-CB 3.43Å; L160-Q164 WeakPolarHBondContact O-CG 3.36Å; L160-Q164 PolarHBondContact O-N 3.36Å; F161-Q164 PolarHBondContact O-N 2.93Å
165N64.8Low70.5Confident59 Ų5989.2 Ų89.232%0.31647%0.467SS..  trans-144.678.6-177-68.2-75.9000111F161 G167 K168 F169F161-N165 CarbonylContact O-C 3.57Å; F161-N165 PolarHBondContact O-N 2.82Å; N165-G167 PolarHBondContact O-N 3.09Å; N165-K168 HydrophobicContact CB-CB 4.14Å; N165-K168 HydrophobicContact CB-CD 4.16Å; N165-K168 HydrophobicContact CB-CG 4.35Å; N165-K168 PolarHBondContact O-N 3.28Å; N165-F169 PolarHBondContact O-N 3.34Å; N165-F169 VanDerWaalsContact O-N 3.14Å
166P71.7Confident70.7Confident89 Ų8988.8 Ų88.858%0.57847%0.465SS*.Hα-helixtrans-60.4-33.6-175.723.7-33.8000112.8C170P166-C170 VanDerWaalsContact O-CB 3.3Å; P166-C170 WeakPolarHBondContact O-CB 3.45Å; P166-C170 PolarHBondContact O-N 3.49Å
167G72.3Confident70.8Confident45 Ų4586.2 Ų86.246%0.46446%0.463SS..Hα-helixtrans-67.1-43177.700000114N165 C170 L171N165-G167 PolarHBondContact O-N 3.09Å; G167-C170 PolarHBondContact O-N 3.27Å; G167-L171 WeakPolarHBondContact O-CG 3.49Å; G167-L171 PolarHBondContact O-N 3.47Å
168K72.6Confident71Confident125 Ų12585.6 Ų85.654%0.54346%0.463SS..Hα-helixtrans-70.8-37.3178.3-68.1177.1-178.1158.70111.7F161 N165 L171 L172F161-K168 HydrophobicContact CE1-CB 3.87Å; F161-K168 HydrophobicContact CZ-CB 3.67Å; F161-K168 HydrophobicContact CZ-CD 4.33Å; N165-K168 HydrophobicContact CB-CB 4.14Å; N165-K168 HydrophobicContact CB-CD 4.16Å; N165-K168 HydrophobicContact CB-CG 4.35Å; N165-K168 PolarHBondContact O-N 3.28Å; K168-L171 PolarHBondContact O-N 3.39Å; K168-L172 WeakPolarHBondContact O-CB 3.5Å; K168-L172 PolarHBondContact O-N 2.99Å
169F72.6Confident71.4Confident46 Ų4689.3 Ų89.320%0.20248%0.477CS..Hα-helixtrans-64-42.1172.8178.1-99.7000111.4L158 F161 K162 N165 L172 S173L158-F169 HydrophobicContact CD1-CD2 4.01Å; L158-F169 HydrophobicContact CD1-CE2 3.78Å; L158-F169 HydrophobicContact CD2-CE2 4.18Å; L158-F169 HydrophobicContact CG-CD2 4.3Å; L158-F169 HydrophobicContact CG-CE2 3.69Å; F161-F169 HydrophobicContact CD1-CB 3.93Å; F161-F169 HydrophobicContact CD1-CD2 4.24Å; F161-F169 HydrophobicContact CE1-CB 4.22Å; K162-F169 HydrophobicContact CB-CB 4.43Å; K162-F169 HydrophobicContact CB-CD1 3.93Å; K162-F169 HydrophobicContact CB-CD2 4.18Å; K162-F169 HydrophobicContact CB-CE1 4.24Å; K162-F169 HydrophobicContact CB-CE2 4.49Å; K162-F169 HydrophobicContact CB-CG 3.89Å; K162-F169 HydrophobicContact CD-CD1 4.17Å; K162-F169 HydrophobicContact CD-CE1 3.87Å; K162-F169 HydrophobicContact CD-CZ 4.39Å; K162-F169 HydrophobicContact CG-CD1 3.78Å; K162-F169 HydrophobicContact CG-CE1 4Å; K162-F169 HydrophobicContact CG-CG 4.24Å; N165-F169 PolarHBondContact O-N 3.34Å; N165-F169 VanDerWaalsContact O-N 3.14Å; F169-L172 PolarHBondContact O-N 3.29Å; F169-S173 WeakPolarHBondContact O-CB 3.43Å; F169-S173 PolarHBondContact O-N 2.97Å; F169-S173 PolarHBondContact O-OG 3.02Å; F169-S173 VanDerWaalsContact O-OG 3.08Å
170C71.9Confident71.7Confident73 Ų7389.4 Ų89.449%0.49348%0.478SS..Hα-helixtrans-59.5-50.5174.1-173.60000111.2P166 G167 L172 S173 C174P166-C170 VanDerWaalsContact O-CB 3.3Å; P166-C170 WeakPolarHBondContact O-CB 3.45Å; P166-C170 PolarHBondContact O-N 3.49Å; G167-C170 PolarHBondContact O-N 3.27Å; C170-L172 VanDerWaalsContact C-N 3.34Å; C170-L172 PolarHBondContact O-N 2.83Å; C170-S173 PolarHBondContact O-N 2.9Å; C170-S173 PolarHBondContact O-OG 3.47Å; C170-C174 WeakPolarHBondContact O-CB 3.41Å; C170-C174 PolarHBondContact O-N 2.91Å
171L77.9Confident71.8Confident133 Ų13388.6 Ų88.670%0.69648%0.482SS*.Hα-helixtrans-61.1-39.7177-71.9177.3000113G167 K168 G175G167-L171 WeakPolarHBondContact O-CG 3.49Å; G167-L171 PolarHBondContact O-N 3.47Å; K168-L171 PolarHBondContact O-N 3.39Å; L171-G175 PolarHBondContact O-N 3.28Å
172L77.1Confident72.6Confident85 Ų8588 Ų8845%0.44548%0.484SS..Hα-helixtrans-64.4-49.7175.6-17675.7000111.1L158 K168 F169 C170 G175 I176L158-L172 HydrophobicContact CD1-CD2 4.33Å; K168-L172 WeakPolarHBondContact O-CB 3.5Å; K168-L172 PolarHBondContact O-N 2.99Å; F169-L172 PolarHBondContact O-N 3.29Å; C170-L172 VanDerWaalsContact C-N 3.34Å; C170-L172 PolarHBondContact O-N 2.83Å; L172-G175 PolarHBondContact O-N 3.44Å; L172-I176 HydrophobicContact CD1-CD1 4.45Å; L172-I176 HydrophobicContact CG-CD1 4Å; L172-I176 VanDerWaalsContact O-CG1 3.28Å; L172-I176 WeakPolarHBondContact O-CG1 3.41Å; L172-I176 PolarHBondContact O-N 2.76Å
173S69.7Low72.7Confident37 Ų3785.2 Ų85.226%0.25947%0.474SS..Hα-helixtrans-63.6-42.9179.366.40000111.8F169 C170 I176 L177F169-S173 WeakPolarHBondContact O-CB 3.43Å; F169-S173 PolarHBondContact O-N 2.97Å; F169-S173 PolarHBondContact O-OG 3.02Å; F169-S173 VanDerWaalsContact O-OG 3.08Å; C170-S173 PolarHBondContact O-N 2.9Å; C170-S173 PolarHBondContact O-OG 3.47Å; S173-I176 PolarHBondContact O-N 3.09Å; S173-L177 VanDerWaalsContact O-CB 3.32Å; S173-L177 WeakPolarHBondContact O-CB 3.26Å; S173-L177 WeakPolarHBondContact O-CG 3.45Å; S173-L177 PolarHBondContact O-N 2.86Å
174C69.1Low73Confident64 Ų6478.6 Ų78.643%0.43246%0.456SS..Hα-helixtrans-63.1-42.2174-174.40000111C170 L177 T178C170-C174 WeakPolarHBondContact O-CB 3.41Å; C170-C174 PolarHBondContact O-N 2.91Å; C174-L177 PolarHBondContact O-N 3.32Å; C174-T178 VanDerWaalsContact O-CB 3.27Å; C174-T178 WeakPolarHBondContact O-CB 3.19Å; C174-T178 WeakPolarHBondContact O-CG2 3.21Å; C174-T178 PolarHBondContact O-N 2.91Å; C174-T178 PolarHBondContact O-OG1 2.86Å
175G77.6Confident73.6Confident36 Ų3681.5 Ų81.537%0.37146%0.461SS..Hα-helixtrans-60.5-44.7173.800000112.8L171 L172 T178 F179L171-G175 PolarHBondContact O-N 3.28Å; L172-G175 PolarHBondContact O-N 3.44Å; G175-T178 WeakPolarHBondContact CA-OG1 3.4Å; G175-T178 PolarHBondContact O-OG1 3.27Å; G175-F179 WeakPolarHBondContact O-CB 3.44Å; G175-F179 PolarHBondContact O-N 3.4Å
176I73.8Confident74.1Confident87 Ų8787.8 Ų87.845%0.44648%0.482SS..Hα-helixtrans-65.6-47176.4-67165.3000110.4L172 S173 F179 L180L172-I176 HydrophobicContact CD1-CD1 4.45Å; L172-I176 HydrophobicContact CG-CD1 4Å; L172-I176 VanDerWaalsContact O-CG1 3.28Å; L172-I176 WeakPolarHBondContact O-CG1 3.41Å; L172-I176 PolarHBondContact O-N 2.76Å; S173-I176 PolarHBondContact O-N 3.09Å; I176-F179 PolarHBondContact O-N 2.75Å; I176-L180 HydrophobicContact CG2-CD1 4Å; I176-L180 WeakPolarHBondContact O-CB 3.48Å; I176-L180 VanDerWaalsContact O-CD1 3.31Å; I176-L180 WeakPolarHBondContact O-CD1 3.5Å; I176-L180 PolarHBondContact O-N 2.87Å
177L71.7Confident74.4Confident115 Ų11585.5 Ų85.560%0.60246%0.464SS*.Hα-helixtrans-65.4-41.3-179.9-70.9171.7000112.3S173 C174 L180 A181S173-L177 VanDerWaalsContact O-CB 3.32Å; S173-L177 WeakPolarHBondContact O-CB 3.26Å; S173-L177 WeakPolarHBondContact O-CG 3.45Å; S173-L177 PolarHBondContact O-N 2.86Å; C174-L177 PolarHBondContact O-N 3.32Å; L177-L180 PolarHBondContact O-N 3.36Å; L177-A181 WeakPolarHBondContact O-CB 3.24Å; L177-A181 PolarHBondContact O-N 2.8Å
178T76.8Confident74.7Confident74 Ų7487.5 Ų87.545%0.45447%0.469SS..Hα-helixtrans-67.2-39.7175.351.80000111.2C174 G175 A181 V182C174-T178 VanDerWaalsContact O-CB 3.27Å; C174-T178 WeakPolarHBondContact O-CB 3.19Å; C174-T178 WeakPolarHBondContact O-CG2 3.21Å; C174-T178 PolarHBondContact O-N 2.91Å; C174-T178 PolarHBondContact O-OG1 2.86Å; G175-T178 WeakPolarHBondContact CA-OG1 3.4Å; G175-T178 PolarHBondContact O-OG1 3.27Å; T178-A181 PolarHBondContact O-N 3.39Å; T178-V182 WeakPolarHBondContact O-CB 3.42Å; T178-V182 VanDerWaalsContact O-CG2 3.24Å; T178-V182 WeakPolarHBondContact O-CG2 3.26Å; T178-V182 PolarHBondContact O-N 2.78Å
179F77.2Confident74.8Confident132 Ų13284 Ų8458%0.57947%0.468SS*.Hα-helixtrans-61.6-48.9172.5177.7-102.9000111.6G175 I176 A181 V182 L183G175-F179 WeakPolarHBondContact O-CB 3.44Å; G175-F179 PolarHBondContact O-N 3.4Å; I176-F179 PolarHBondContact O-N 2.75Å; F179-A181 VanDerWaalsContact C-N 3.3Å; F179-A181 PolarHBondContact O-N 3.31Å; F179-V182 PolarHBondContact O-N 2.83Å; F179-L183 HydrophobicContact CE1-CD2 4.17Å; F179-L183 HydrophobicContact CZ-CD2 4.39Å; F179-L183 VanDerWaalsContact O-CB 3.26Å; F179-L183 WeakPolarHBondContact O-CB 3.45Å; F179-L183 PolarHBondContact O-N 3.43Å
180L71.2Confident74.9Confident97 Ų9785.2 Ų85.251%0.50848%0.476SS..Hα-helixtrans-59.8-39.9175-96.965.1000111.8I176 L177 L183 G184I176-L180 HydrophobicContact CG2-CD1 4Å; I176-L180 WeakPolarHBondContact O-CB 3.48Å; I176-L180 VanDerWaalsContact O-CD1 3.31Å; I176-L180 WeakPolarHBondContact O-CD1 3.5Å; I176-L180 PolarHBondContact O-N 2.87Å; L177-L180 PolarHBondContact O-N 3.36Å; L180-L183 PolarHBondContact O-N 3.31Å; L180-G184 PolarHBondContact O-N 2.82Å
181A72.3Confident75Confident57 Ų5785.4 Ų85.447%0.47147%0.472SS..Hα-helixtrans-68.3-41.4178.200000112.2L177 T178 F179 G184 R185L177-A181 WeakPolarHBondContact O-CB 3.24Å; L177-A181 PolarHBondContact O-N 2.8Å; T178-A181 PolarHBondContact O-N 3.39Å; F179-A181 VanDerWaalsContact C-N 3.3Å; F179-A181 PolarHBondContact O-N 3.31Å; A181-G184 PolarHBondContact O-N 3.43Å; A181-R185 WeakPolarHBondContact O-CG 3.47Å; A181-R185 PolarHBondContact O-N 3.46Å
182V81.8Confident74.9Confident59 Ų5981.8 Ų81.836%0.35845%0.453SS..Hα-helixtrans-65.6-43.2173.7171.20000110.1T178 F179 G184 R185 Y186T178-V182 WeakPolarHBondContact O-CB 3.42Å; T178-V182 VanDerWaalsContact O-CG2 3.24Å; T178-V182 WeakPolarHBondContact O-CG2 3.26Å; T178-V182 PolarHBondContact O-N 2.78Å; F179-V182 PolarHBondContact O-N 2.83Å; V182-G184 VanDerWaalsContact C-N 3.32Å; V182-G184 PolarHBondContact O-N 3.44Å; V182-R185 PolarHBondContact O-N 3.4Å; V182-R185 VanDerWaalsContact O-N 3.09Å; V182-Y186 HydrophobicContact CG1-CD2 3.8Å; V182-Y186 HydrophobicContact CG1-CE2 4.06Å; V182-Y186 WeakPolarHBondContact O-CD2 3.33Å; V182-Y186 PolarHBondContact O-N 2.81Å
183L71.9Confident75.1Confident53 Ų5380.1 Ų80.128%0.27745%0.449SS..Hα-helixtrans-63.4-39177.8-160.268.3000111.6F179 L180 R185 Y186 I187 L192F179-L183 HydrophobicContact CE1-CD2 4.17Å; F179-L183 HydrophobicContact CZ-CD2 4.39Å; F179-L183 VanDerWaalsContact O-CB 3.26Å; F179-L183 WeakPolarHBondContact O-CB 3.45Å; F179-L183 PolarHBondContact O-N 3.43Å; L180-L183 PolarHBondContact O-N 3.31Å; L183-R185 VanDerWaalsContact C-N 3.3Å; L183-R185 PolarHBondContact O-N 3.33Å; L183-Y186 PolarHBondContact O-N 2.83Å; L183-I187 HydrophobicContact CD1-CD1 4.06Å; L183-I187 HydrophobicContact CG-CD1 4.37Å; L183-I187 WeakPolarHBondContact O-CB 3.42Å; L183-I187 PolarHBondContact O-N 3.43Å; L183-L192 HydrophobicContact CD2-CD1 3.82Å; L183-L192 HydrophobicContact CG-CD1 4.22Å
184G72.1Confident75.6Confident40 Ų4081.5 Ų81.541%0.41245%0.449SS..Hα-helixtrans-71.3-19.8173.700000114.4L180 A181 V182 I187L180-G184 PolarHBondContact O-N 2.82Å; A181-G184 PolarHBondContact O-N 3.43Å; V182-G184 VanDerWaalsContact C-N 3.32Å; V182-G184 PolarHBondContact O-N 3.44Å; G184-I187 CarbonylContact C-O 3.58Å; G184-I187 VanDerWaalsContact O-O 3.11Å
185R78.7Confident76Confident206 Ų20682.3 Ų82.378%0.77745%0.448SS*.Hα-helixtrans-82.1-35.3168.7-75.4-160.5-71.1139.9-8.4112.5A181 V182 L183A181-R185 WeakPolarHBondContact O-CG 3.47Å; A181-R185 PolarHBondContact O-N 3.46Å; V182-R185 PolarHBondContact O-N 3.4Å; V182-R185 VanDerWaalsContact O-N 3.09Å; L183-R185 VanDerWaalsContact C-N 3.3Å; L183-R185 PolarHBondContact O-N 3.33Å
186Y76.6Confident76Confident191 Ų19185.3 Ų85.375%0.74946%0.455SS*.Hα-helixtrans-76.3-31.6178.9-98.6-86.5000113V182 L183V182-Y186 HydrophobicContact CG1-CD2 3.8Å; V182-Y186 HydrophobicContact CG1-CE2 4.06Å; V182-Y186 WeakPolarHBondContact O-CD2 3.33Å; V182-Y186 PolarHBondContact O-N 2.81Å; L183-Y186 PolarHBondContact O-N 2.83Å
187I77.4Confident76.3Confident40 Ų4083.4 Ų83.421%0.20545%0.445CS..SBendtrans-125.5125-172.8-62.3176.6000108.2L183 G184 G189 L191 L192L183-I187 HydrophobicContact CD1-CD1 4.06Å; L183-I187 HydrophobicContact CG-CD1 4.37Å; L183-I187 WeakPolarHBondContact O-CB 3.42Å; L183-I187 PolarHBondContact O-N 3.43Å; G184-I187 CarbonylContact C-O 3.58Å; G184-I187 VanDerWaalsContact O-O 3.11Å; I187-G189 PolarHBondContact O-N 3.41Å; I187-L191 HydrophobicContact CG2-CB 3.58Å; I187-L191 HydrophobicContact CG2-CD2 3.6Å; I187-L191 HydrophobicContact CG2-CG 3.89Å; I187-L192 HydrophobicContact CG2-CB 4.38Å
188P79.8Confident76.5Confident88 Ų8880.2 Ų80.257%0.57143%0.43SS*.  trans-55.4132.1173.722.6-31.5000108.7L190 L191 L192P188-L190 CarbonylContact O-C 3.59Å; P188-L190 PolarHBondContact O-N 2.83Å; P188-L191 HydrophobicContact CG-CB 3.96Å; P188-L191 WeakPolarHBondContact O-CA 3.45Å; P188-L191 WeakPolarHBondContact O-CB 3.46Å; P188-L191 PolarHBondContact O-N 2.97Å; P188-L192 PolarHBondContact O-N 2.79Å
189G73Confident76.4Confident51 Ų5180.8 Ų80.853%0.52643%0.434SS..Hα-helixtrans-52.7-26.5-174.300000113.8I187 L192 S193I187-G189 PolarHBondContact O-N 3.41Å; G189-L192 PolarHBondContact O-N 3.27Å; G189-S193 WeakPolarHBondContact O-CB 3.29Å; G189-S193 PolarHBondContact O-N 3.45Å; G189-S193 PolarHBondContact O-OG 2.93Å
190L75Confident76.3Confident71 Ų7178.9 Ų78.937%0.37243%0.433SS..Hα-helixtrans-56.8-51169.7-156.599.5000112.6F79 W80 A83 P188 L192 S193 Y194F79-L190 HydrophobicContact CE1-CD2 4.48Å; F79-L190 HydrophobicContact CE1-CG 4.36Å; F79-L190 HydrophobicContact CZ-CG 4.2Å; F79-L190 WeakPolarHBondContact CZ-O 3.41Å; W80-L190 HydrophobicContact CH2-CD2 4.44Å; W80-L190 HydrophobicContact CZ3-CD2 4Å; A83-L190 HydrophobicContact CB-CD1 3.33Å; A83-L190 HydrophobicContact CB-CD2 3.75Å; A83-L190 HydrophobicContact CB-CG 3.94Å; P188-L190 CarbonylContact O-C 3.59Å; P188-L190 PolarHBondContact O-N 2.83Å; L190-L192 VanDerWaalsContact C-N 3.31Å; L190-L192 PolarHBondContact O-N 3.31Å; L190-S193 PolarHBondContact O-N 3.46Å; L190-S193 PolarHBondContact O-OG 3.29Å; L190-Y194 WeakPolarHBondContact O-CB 3.45Å; L190-Y194 PolarHBondContact O-N 3.18Å
191L74.4Confident76.3Confident78 Ų7875.1 Ų75.141%0.40841%0.413SS..Hα-helixtrans-65.9-36.1179.2-17275.4000111.1I187 P188 Y194 L195I187-L191 HydrophobicContact CG2-CB 3.58Å; I187-L191 HydrophobicContact CG2-CD2 3.6Å; I187-L191 HydrophobicContact CG2-CG 3.89Å; P188-L191 HydrophobicContact CG-CB 3.96Å; P188-L191 WeakPolarHBondContact O-CA 3.45Å; P188-L191 WeakPolarHBondContact O-CB 3.46Å; P188-L191 PolarHBondContact O-N 2.97Å; L191-Y194 WeakPolarHBondContact O-CB 3.2Å; L191-Y194 PolarHBondContact O-N 3.48Å; L191-L195 WeakPolarHBondContact O-CB 3.46Å; L191-L195 VanDerWaalsContact O-CG 3.26Å; L191-L195 WeakPolarHBondContact O-CG 3.26Å; L191-L195 PolarHBondContact O-N 3.37Å
192L76.4Confident76Confident56 Ų5676.8 Ų76.829%0.29341%0.412SS..Hα-helixtrans-63-46.8174.1-166.180.7000111.2L183 I187 P188 G189 L190 Y194 L195 I196L183-L192 HydrophobicContact CD2-CD1 3.82Å; L183-L192 HydrophobicContact CG-CD1 4.22Å; I187-L192 HydrophobicContact CG2-CB 4.38Å; P188-L192 PolarHBondContact O-N 2.79Å; G189-L192 PolarHBondContact O-N 3.27Å; L190-L192 VanDerWaalsContact C-N 3.31Å; L190-L192 PolarHBondContact O-N 3.31Å; L192-Y194 VanDerWaalsContact C-N 3.31Å; L192-Y194 PolarHBondContact O-N 3.04Å; L192-L195 PolarHBondContact O-N 3Å; L192-I196 HydrophobicContact CG-CD1 4.43Å; L192-I196 WeakPolarHBondContact O-CG1 3.37Å; L192-I196 PolarHBondContact O-N 2.78Å
193S79.8Confident75.2Confident50 Ų5082.6 Ų82.635%0.3543%0.428SS..Hα-helixtrans-65.2-34.5176.966.10000112.7F79 G189 L190 I196 L197F79-S193 WeakPolarHBondContact CE2-OG 3.27Å; F79-S193 VanDerWaalsContact CZ-OG 3.24Å; F79-S193 WeakPolarHBondContact CZ-OG 3.31Å; G189-S193 WeakPolarHBondContact O-CB 3.29Å; G189-S193 PolarHBondContact O-N 3.45Å; G189-S193 PolarHBondContact O-OG 2.93Å; L190-S193 PolarHBondContact O-N 3.46Å; L190-S193 PolarHBondContact O-OG 3.29Å; S193-I196 PolarHBondContact O-N 3.39Å; S193-L197 WeakPolarHBondContact O-CB 3.19Å; S193-L197 PolarHBondContact O-N 2.9Å
194Y81.9Confident74.8Confident66 Ų6681.3 Ų81.326%0.25942%0.422SS..Hα-helixtrans-65.2-45.2172.1-178.6-108.2000111.9N76 F79 W80 L190 L191 L192 I196 L197 V198N76-Y194 WeakPolarHBondContact OD1-CE2 3.48Å; F79-Y194 AromaticContact CD1-CD2 3.69Å; F79-Y194 HydrophobicContact CD1-CD2 3.69Å; F79-Y194 AromaticContact CE1-CD2 3.66Å; F79-Y194 HydrophobicContact CE1-CD2 3.66Å; F79-Y194 HydrophobicContact CE1-CG 4.07Å; F79-Y194 HydrophobicContact CZ-CD2 4.43Å; W80-Y194 AromaticContact NE1-CE2 3.71Å; L190-Y194 WeakPolarHBondContact O-CB 3.45Å; L190-Y194 PolarHBondContact O-N 3.18Å; L191-Y194 WeakPolarHBondContact O-CB 3.2Å; L191-Y194 PolarHBondContact O-N 3.48Å; L192-Y194 VanDerWaalsContact C-N 3.31Å; L192-Y194 PolarHBondContact O-N 3.04Å; Y194-I196 VanDerWaalsContact C-N 3.3Å; Y194-I196 PolarHBondContact O-N 2.85Å; Y194-L197 WeakPolarHBondContact O-CB 3.13Å; Y194-L197 PolarHBondContact O-N 2.91Å; Y194-V198 HydrophobicContact CD1-CG2 4.16Å; Y194-V198 HydrophobicContact CD2-CG2 4.34Å; Y194-V198 HydrophobicContact CE1-CG2 3.78Å; Y194-V198 HydrophobicContact CE2-CG2 4Å; Y194-V198 HydrophobicContact CG-CG2 4.42Å; Y194-V198 WeakPolarHBondContact O-CB 3.3Å; Y194-V198 VanDerWaalsContact O-CG2 3.29Å; Y194-V198 WeakPolarHBondContact O-CG2 3.29Å; Y194-V198 PolarHBondContact O-N 2.89Å
195L76.8Confident74.2Confident82 Ų8280.2 Ų80.243%0.42941%0.407SS..Hα-helixtrans-61.7-38.7176-73.2172000111.7L191 L192 T199L191-L195 WeakPolarHBondContact O-CB 3.46Å; L191-L195 VanDerWaalsContact O-CG 3.26Å; L191-L195 WeakPolarHBondContact O-CG 3.26Å; L191-L195 PolarHBondContact O-N 3.37Å; L192-L195 PolarHBondContact O-N 3Å; L195-T199 WeakPolarHBondContact O-CB 3.13Å; L195-T199 WeakPolarHBondContact O-CG2 3.43Å; L195-T199 PolarHBondContact O-N 2.7Å; L195-T199 PolarHBondContact O-OG1 3.01Å
196I78.1Confident73.3Confident98 Ų9871.2 Ų71.250%0.50338%0.377SS..Hα-helixtrans-64.1-46.2173.4-67.3166.9000110.5L192 S193 Y194 V198 T199 V200L192-I196 HydrophobicContact CG-CD1 4.43Å; L192-I196 WeakPolarHBondContact O-CG1 3.37Å; L192-I196 PolarHBondContact O-N 2.78Å; S193-I196 PolarHBondContact O-N 3.39Å; Y194-I196 VanDerWaalsContact C-N 3.3Å; Y194-I196 PolarHBondContact O-N 2.85Å; I196-V198 PolarHBondContact O-N 3.39Å; I196-T199 VanDerWaalsContact CA-OG1 3.3Å; I196-T199 WeakPolarHBondContact CA-OG1 3.12Å; I196-T199 PolarHBondContact O-N 3.35Å; I196-T199 PolarHBondContact O-OG1 3.33Å; I196-V200 HydrophobicContact CG2-CG2 4.43Å; I196-V200 WeakPolarHBondContact O-CB 3.16Å; I196-V200 VanDerWaalsContact O-CG2 3.29Å; I196-V200 WeakPolarHBondContact O-CG2 3.46Å; I196-V200 PolarHBondContact O-N 3.26Å
197L79.9Confident72.7Confident48 Ų4866.5 Ų66.525%0.25137%0.368SS..Hα-helixtrans-59.3-47.3177-178.971.2000111.8F79 S193 Y194 V200 M201F79-L197 HydrophobicContact CB-CD2 3.64Å; F79-L197 HydrophobicContact CD2-CD2 3.88Å; F79-L197 HydrophobicContact CG-CD2 3.77Å; S193-L197 WeakPolarHBondContact O-CB 3.19Å; S193-L197 PolarHBondContact O-N 2.9Å; Y194-L197 WeakPolarHBondContact O-CB 3.13Å; Y194-L197 PolarHBondContact O-N 2.91Å; L197-V200 PolarHBondContact O-N 2.8Å; L197-M201 PolarHBondContact O-N 2.82Å
198V75.9Confident71.7Confident47 Ų4768.4 Ų68.429%0.28537%0.373SS..Hα-helixtrans-62.9-45178.3170.90000110.5Y194 I196 V200 M201 M202Y194-V198 HydrophobicContact CD1-CG2 4.16Å; Y194-V198 HydrophobicContact CD2-CG2 4.34Å; Y194-V198 HydrophobicContact CE1-CG2 3.78Å; Y194-V198 HydrophobicContact CE2-CG2 4Å; Y194-V198 HydrophobicContact CG-CG2 4.42Å; Y194-V198 WeakPolarHBondContact O-CB 3.3Å; Y194-V198 VanDerWaalsContact O-CG2 3.29Å; Y194-V198 WeakPolarHBondContact O-CG2 3.29Å; Y194-V198 PolarHBondContact O-N 2.89Å; I196-V198 PolarHBondContact O-N 3.39Å; V198-V200 PolarHBondContact O-N 3.26Å; V198-M201 PolarHBondContact O-N 2.86Å; V198-M202 HydrophobicContact CG1-CG 3.95Å; V198-M202 WeakPolarHBondContact O-CB 3.07Å; V198-M202 WeakPolarHBondContact O-CG 3.3Å; V198-M202 PolarHBondContact O-N 2.93Å
199T73.9Confident70.7Confident86 Ų8669.6 Ų69.653%0.52837%0.371SS..Hα-helixtrans-64.1-40.2178.245.90000112.3L195 I196 M202 W203L195-T199 WeakPolarHBondContact O-CB 3.13Å; L195-T199 WeakPolarHBondContact O-CG2 3.43Å; L195-T199 PolarHBondContact O-N 2.7Å; L195-T199 PolarHBondContact O-OG1 3.01Å; I196-T199 VanDerWaalsContact CA-OG1 3.3Å; I196-T199 WeakPolarHBondContact CA-OG1 3.12Å; I196-T199 PolarHBondContact O-N 3.35Å; I196-T199 PolarHBondContact O-OG1 3.33Å; T199-M202 PolarHBondContact O-N 3.47Å; T199-W203 VanDerWaalsContact O-CB 3.29Å; T199-W203 WeakPolarHBondContact O-CB 3.28Å; T199-W203 PolarHBondContact O-N 2.95Å
200V76.6Confident70.2Confident92 Ų9275.8 Ų75.856%0.55838%0.378SS*.Hα-helixtrans-63.6-40.7174.2170.90000111.5I196 L197 V198 P204I196-V200 HydrophobicContact CG2-CG2 4.43Å; I196-V200 WeakPolarHBondContact O-CB 3.16Å; I196-V200 VanDerWaalsContact O-CG2 3.29Å; I196-V200 WeakPolarHBondContact O-CG2 3.46Å; I196-V200 PolarHBondContact O-N 3.26Å; L197-V200 PolarHBondContact O-N 2.8Å; V198-V200 PolarHBondContact O-N 3.26Å; V200-P204 WeakPolarHBondContact O-CD 3.34Å
201M69.8Low69.4Low19 Ų1975.8 Ų75.89%0.09438%0.378CS..Hα-helixtrans-68.4-36.4174.2-86.4-147.170.700113.2C72 L75 L197 V198 P204C72-M201 HydrophobicContact CB-CE 3.48Å; C72-M201 VanDerWaalsContact CB-CE 3.48Å; C72-M201 HydrophobicContact CB-SD 3.96Å; C72-M201 VanDerWaalsContact SG-CE 3.54Å; C72-M201 PolarHBondContact SG-SD 2.74Å; L75-M201 HydrophobicContact CB-SD 4.43Å; L75-M201 HydrophobicContact CD1-CE 4.47Å; L75-M201 HydrophobicContact CD1-CG 4.49Å; L75-M201 HydrophobicContact CD1-SD 3.84Å; L197-M201 PolarHBondContact O-N 2.82Å; V198-M201 PolarHBondContact O-N 2.86Å; M201-P204 WeakPolarHBondContact O-CD 3.17Å; M201-P204 WeakPolarHBondContact O-CG 3.32Å
202M65.9Low68.6Low92 Ų9279.9 Ų79.945%0.45339%0.388SS..Hα-helixtrans-81.5-22.5-177.3-70.5-65.1-6600112.7V198 T199 L205 A206V198-M202 HydrophobicContact CG1-CG 3.95Å; V198-M202 WeakPolarHBondContact O-CB 3.07Å; V198-M202 WeakPolarHBondContact O-CG 3.3Å; V198-M202 PolarHBondContact O-N 2.93Å; T199-M202 PolarHBondContact O-N 3.47Å; M202-L205 HydrophobicContact CE-CD2 4.22Å; M202-L205 CarbonylContact O-C 3.6Å; M202-L205 WeakPolarHBondContact O-CB 3.26Å; M202-L205 PolarHBondContact O-N 2.9Å; M202-L205 HydrophobicContact SD-CD2 3.87Å; M202-A206 VanDerWaalsContact O-CB 3.32Å; M202-A206 WeakPolarHBondContact O-CB 3.4Å; M202-A206 PolarHBondContact O-N 3.18Å
203W66.4Low68Low181 Ų18181.3 Ų81.369%0.68640%0.396SS*.Hα-helixtrans-53.7-57.2178.4-179.4-84.7000114T199 L205 A206 V207T199-W203 VanDerWaalsContact O-CB 3.29Å; T199-W203 WeakPolarHBondContact O-CB 3.28Å; T199-W203 PolarHBondContact O-N 2.95Å; W203-L205 PolarHBondContact O-N 3.47Å; W203-A206 PolarHBondContact O-N 3.36Å; W203-V207 VanDerWaalsContact O-CG2 3.29Å; W203-V207 WeakPolarHBondContact O-CG2 2.86Å; W203-V207 PolarHBondContact O-N 3.41Å; W203-V207 VanDerWaalsContact O-N 3.11Å
204P62.4Low67.4Low25 Ų2587.8 Ų87.816%0.16241%0.413CS..Hα-helixtrans-64.4-31.317726.8-35.8000111.8L60 V200 M201 Y208L60-P204 HydrophobicContact CB-CB 4.16Å; L60-P204 HydrophobicContact CB-CG 3.91Å; L60-P204 HydrophobicContact CD2-CB 4.23Å; L60-P204 HydrophobicContact CD2-CG 3.67Å; L60-P204 HydrophobicContact CG-CB 4.36Å; L60-P204 HydrophobicContact CG-CG 3.64Å; V200-P204 WeakPolarHBondContact O-CD 3.34Å; M201-P204 WeakPolarHBondContact O-CD 3.17Å; M201-P204 WeakPolarHBondContact O-CG 3.32Å; P204-Y208 VanDerWaalsContact O-CB 3.22Å; P204-Y208 WeakPolarHBondContact O-CB 3.32Å; P204-Y208 PolarHBondContact O-N 2.95Å
205L59.1Low66.6Low17 Ų1787.1 Ų87.19%0.08942%0.421CS..Hα-helixtrans-67.2-42.3177-152.664.7000111.9W62 M202 W203 H209W62-L205 HydrophobicContact CB-CD1 3.87Å; W62-L205 HydrophobicContact CD2-CD1 3.66Å; W62-L205 HydrophobicContact CD2-CD2 4.46Å; W62-L205 HydrophobicContact CG-CD1 3.34Å; W62-L205 HydrophobicContact CZ2-CD2 4.15Å; M202-L205 HydrophobicContact CE-CD2 4.22Å; M202-L205 CarbonylContact O-C 3.6Å; M202-L205 WeakPolarHBondContact O-CB 3.26Å; M202-L205 PolarHBondContact O-N 2.9Å; M202-L205 HydrophobicContact SD-CD2 3.87Å; W203-L205 PolarHBondContact O-N 3.47Å; L205-H209 WeakPolarHBondContact O-CB 3.44Å; L205-H209 PolarHBondContact O-N 2.72Å
206A61Low66.2Low17 Ų1789.7 Ų89.714%0.1443%0.426CS..Hα-helixtrans-67.8-37.5179.300000112.1M202 W203 L211M202-A206 VanDerWaalsContact O-CB 3.32Å; M202-A206 WeakPolarHBondContact O-CB 3.4Å; M202-A206 PolarHBondContact O-N 3.18Å; W203-A206 PolarHBondContact O-N 3.36Å; A206-L211 PolarHBondContact O-N 2.95Å
207V62.8Low65.9Low92 Ų9289.9 Ų89.956%0.55843%0.431SS*.Hα-helixtrans-70.9-46.5175.8175.30000110.6W203 R210W203-V207 VanDerWaalsContact O-CG2 3.29Å; W203-V207 WeakPolarHBondContact O-CG2 2.86Å; W203-V207 PolarHBondContact O-N 3.41Å; W203-V207 VanDerWaalsContact O-N 3.11Å; V207-R210 PolarHBondContact O-N 3.36Å
208Y56.3Low65.5Low81 Ų8197.1 Ų97.132%0.31846%0.455SS..Hα-helixtrans-70.3-44.4-175.7-171.6-101000113.3V61 P204 R210V61-Y208 HydrophobicContact CG1-CD2 3.9Å; V61-Y208 HydrophobicContact CG1-CE1 4.31Å; V61-Y208 HydrophobicContact CG1-CE2 3.66Å; V61-Y208 HydrophobicContact CG1-CG 4.32Å; P204-Y208 VanDerWaalsContact O-CB 3.22Å; P204-Y208 WeakPolarHBondContact O-CB 3.32Å; P204-Y208 PolarHBondContact O-N 2.95Å; Y208-R210 PolarHBondContact O-N 3.42Å
209H60Low65.4Low113 Ų11399.3 Ų99.352%0.52347%0.465SS..THydrogen-bonded Turntrans-82.56.5-179.3-88.6-76.5000114.2L205 L211L205-H209 WeakPolarHBondContact O-CB 3.44Å; L205-H209 PolarHBondContact O-N 2.72Å; H209-L211 HydrophobicContact CB-CD1 3.86Å; H209-L211 HydrophobicContact CB-CD2 4.23Å; H209-L211 HydrophobicContact CB-CG 3.58Å; H209-L211 PolarHBondContact O-N 3.35Å
210R61.5Low65.7Low180 Ų180100.4 Ų100.468%0.67946%0.462SS*.THydrogen-bonded Turntrans45.533.3-170.4-67.6-172.7167.6-142.76.2112.1V207 Y208 W212 D213 R214V207-R210 PolarHBondContact O-N 3.36Å; Y208-R210 PolarHBondContact O-N 3.42Å; R210-W212 PolarHBondContact O-N 3.08Å; R210-D213 HydrophobicContact CB-CB 4.35Å; R210-D213 WeakPolarHBondContact CD-OD2 3.15Å; R210-D213 IonicContact NH1-OD2 3.19Å; R210-D213 PolarHBondContact NH1-OD2 2.96Å; R210-D213 WeakPolarHBondContact O-CB 3.48Å; R210-D213 PolarHBondContact O-N 2.94Å; R210-R214 PolarHBondContact O-N 2.8Å
211L57.9Low65.9Low72 Ų7299.1 Ų99.138%0.37746%0.456SS..Hα-helixtrans-64.2-27.5179.3-68.4167.1000109.7A206 H209 R214 A215A206-L211 PolarHBondContact O-N 2.95Å; H209-L211 HydrophobicContact CB-CD1 3.86Å; H209-L211 HydrophobicContact CB-CD2 4.23Å; H209-L211 HydrophobicContact CB-CG 3.58Å; H209-L211 PolarHBondContact O-N 3.35Å; L211-R214 PolarHBondContact O-N 2.93Å; L211-A215 WeakPolarHBondContact O-CA 3.43Å; L211-A215 WeakPolarHBondContact O-CB 3.23Å; L211-A215 PolarHBondContact O-N 3.29Å
212W57.6Low66.2Low164 Ų164100.3 Ų100.362%0.62147%0.469SS*.Hα-helixtrans-59.8-42.8169.4-91.2112.5000112.9R210 Y216R210-W212 PolarHBondContact O-N 3.08Å; W212-Y216 WeakPolarHBondContact O-CA 3.5Å; W212-Y216 WeakPolarHBondContact O-CB 3.45Å; W212-Y216 PolarHBondContact O-N 3.44Å
213D64.8Low66.7Low86 Ų86100 Ų10046%0.4647%0.468SS..Hα-helixtrans-65.4-43.5176-69.7-25.4000110.6R210 V217R210-D213 HydrophobicContact CB-CB 4.35Å; R210-D213 WeakPolarHBondContact CD-OD2 3.15Å; R210-D213 IonicContact NH1-OD2 3.19Å; R210-D213 PolarHBondContact NH1-OD2 2.96Å; R210-D213 WeakPolarHBondContact O-CB 3.48Å; R210-D213 PolarHBondContact O-N 2.94Å; D213-V217 VanDerWaalsContact O-CB 3.28Å; D213-V217 WeakPolarHBondContact O-CB 3.39Å; D213-V217 WeakPolarHBondContact O-CG2 3.02Å; D213-V217 PolarHBondContact O-N 2.8Å
214R66.7Low67.4Low186 Ų18696 Ų9670%0.70246%0.458SS*.Hα-helixtrans-71.7-37.9-178-154.2171.2-164.41723.2112.9R210 L211 R218R210-R214 PolarHBondContact O-N 2.8Å; L211-R214 PolarHBondContact O-N 2.93Å; R214-R218 WeakPolarHBondContact O-CB 3.21Å; R214-R218 PolarHBondContact O-N 3.5Å; R214-R218 VanDerWaalsContact O-N 3.07Å
215A64.6Low68.3Low51 Ų51104.5 Ų104.542%0.42149%0.486SS..Hα-helixtrans-71.9-43.5174.200000110.3L211 V217 R218 L219L211-A215 WeakPolarHBondContact O-CA 3.43Å; L211-A215 WeakPolarHBondContact O-CB 3.23Å; L211-A215 PolarHBondContact O-N 3.29Å; A215-V217 VanDerWaalsContact C-N 3.34Å; A215-V217 PolarHBondContact O-N 3.18Å; A215-R218 CarbonylContact O-C 3.57Å; A215-R218 PolarHBondContact O-N 3.26Å; A215-R218 VanDerWaalsContact O-N 3.17Å; A215-L219 WeakPolarHBondContact O-CB 3.29Å; A215-L219 PolarHBondContact O-N 3.14Å
216Y68.7Low69.3Low137 Ų137108.6 Ų108.654%0.53751%0.508SS..Hα-helixtrans-62.7-40.9175.8-173.2-103.1000111.3W212 R218 L219 K220W212-Y216 WeakPolarHBondContact O-CA 3.5Å; W212-Y216 WeakPolarHBondContact O-CB 3.45Å; W212-Y216 PolarHBondContact O-N 3.44Å; Y216-R218 PolarHBondContact O-N 3.14Å; Y216-L219 PolarHBondContact O-N 3.25Å; Y216-K220 VanDerWaalsContact O-CB 3.22Å; Y216-K220 WeakPolarHBondContact O-CB 3.32Å; Y216-K220 PolarHBondContact O-N 3.44Å
217V71.6Confident70.4Confident101 Ų101113.1 Ų113.161%0.61253%0.53SS*.Hα-helixtrans-65.1-37.3173.9170.60000111.9D213 A215 P221D213-V217 VanDerWaalsContact O-CB 3.28Å; D213-V217 WeakPolarHBondContact O-CB 3.39Å; D213-V217 WeakPolarHBondContact O-CG2 3.02Å; D213-V217 PolarHBondContact O-N 2.8Å; A215-V217 VanDerWaalsContact C-N 3.34Å; A215-V217 PolarHBondContact O-N 3.18Å; V217-P221 WeakPolarHBondContact O-CD 3.47Å
218R71.6Confident70.9Confident201 Ų201116.1 Ų116.176%0.75854%0.535SS*.Hα-helixtrans-74.7-30.3173.7-85.1-168.4171.5174.1-2.3114R214 A215 Y216 P221R214-R218 WeakPolarHBondContact O-CB 3.21Å; R214-R218 PolarHBondContact O-N 3.5Å; R214-R218 VanDerWaalsContact O-N 3.07Å; A215-R218 CarbonylContact O-C 3.57Å; A215-R218 PolarHBondContact O-N 3.26Å; A215-R218 VanDerWaalsContact O-N 3.17Å; Y216-R218 PolarHBondContact O-N 3.14Å; R218-P221 VanDerWaalsContact O-CD 3.29Å; R218-P221 WeakPolarHBondContact O-CD 3.48Å; R218-P221 VanDerWaalsContact O-CG 3.23Å; R218-P221 WeakPolarHBondContact O-CG 3.35Å
219L74.1Confident72.1Confident93 Ų93115.9 Ų115.949%0.48755%0.546SS..Hα-helixtrans-84.5-27.9-178.2-157.180.1000111A215 Y216 A222 L223A215-L219 WeakPolarHBondContact O-CB 3.29Å; A215-L219 PolarHBondContact O-N 3.14Å; Y216-L219 PolarHBondContact O-N 3.25Å; L219-A222 CarbonylContact O-C 3.56Å; L219-A222 WeakPolarHBondContact O-CA 3.31Å; L219-A222 WeakPolarHBondContact O-CB 3.22Å; L219-A222 PolarHBondContact O-N 3.47Å; L219-L223 HydrophobicContact CD2-CD1 3.86Å; L219-L223 HydrophobicContact CD2-CG 4.25Å; L219-L223 HydrophobicContact CG-CD1 4.14Å; L219-L223 HydrophobicContact CG-CG 4.18Å; L219-L223 WeakPolarHBondContact O-CB 3.29Å; L219-L223 PolarHBondContact O-N 3.11Å
220K80.9Confident73.3Confident109 Ų109114.1 Ų114.147%0.47454%0.542SS..Hα-helixtrans-49.7-49175.3-173.3172.4-175.7174.90113.5Y216 A222 L223 Q224Y216-K220 VanDerWaalsContact O-CB 3.22Å; Y216-K220 WeakPolarHBondContact O-CB 3.32Å; Y216-K220 PolarHBondContact O-N 3.44Å; K220-A222 VanDerWaalsContact C-N 3.33Å; K220-A222 PolarHBondContact O-N 2.78Å; K220-L223 PolarHBondContact O-N 2.86Å; K220-Q224 WeakPolarHBondContact O-CB 3.48Å; K220-Q224 VanDerWaalsContact O-CG 3.24Å; K220-Q224 WeakPolarHBondContact O-CG 3.1Å; K220-Q224 PolarHBondContact O-N 2.87Å
221P79.3Confident74.3Confident65 Ų65113.7 Ų113.742%0.42254%0.541SS..Hα-helixtrans-67.3-31.7176.125.7-35.1000113V217 R218 R225V217-P221 WeakPolarHBondContact O-CD 3.47Å; R218-P221 VanDerWaalsContact O-CD 3.29Å; R218-P221 WeakPolarHBondContact O-CD 3.48Å; R218-P221 VanDerWaalsContact O-CG 3.23Å; R218-P221 WeakPolarHBondContact O-CG 3.35Å; P221-R225 WeakPolarHBondContact O-CG 3.01Å; P221-R225 PolarHBondContact O-N 3.11Å
222A76.3Confident75.4Confident44 Ų44112.2 Ų112.236%0.36454%0.543SS..Hα-helixtrans-72-42.7176.900000112L219 K220 Q224 R225 L226L219-A222 CarbonylContact O-C 3.56Å; L219-A222 WeakPolarHBondContact O-CA 3.31Å; L219-A222 WeakPolarHBondContact O-CB 3.22Å; L219-A222 PolarHBondContact O-N 3.47Å; K220-A222 VanDerWaalsContact C-N 3.33Å; K220-A222 PolarHBondContact O-N 2.78Å; A222-Q224 VanDerWaalsContact C-N 3.33Å; A222-R225 PolarHBondContact O-N 3.15Å; A222-L226 WeakPolarHBondContact O-CG 3.43Å; A222-L226 PolarHBondContact O-N 2.82Å
223L76.8Confident76.6Confident85 Ų85111 Ų11145%0.44554%0.539SS..Hα-helixtrans-62.8-40.4173.4-78.8170.2000111.2L219 K220 L226 D227L219-L223 HydrophobicContact CD2-CD1 3.86Å; L219-L223 HydrophobicContact CD2-CG 4.25Å; L219-L223 HydrophobicContact CG-CD1 4.14Å; L219-L223 HydrophobicContact CG-CG 4.18Å; L219-L223 WeakPolarHBondContact O-CB 3.29Å; L219-L223 PolarHBondContact O-N 3.11Å; K220-L223 PolarHBondContact O-N 2.86Å; L223-L226 PolarHBondContact O-N 3.29Å; L223-D227 WeakPolarHBondContact O-CB 3.32Å; L223-D227 PolarHBondContact O-N 3.08Å
224Q82.3Confident77.5Confident98 Ų98112.6 Ų112.646%0.45855%0.545SS..Hα-helixtrans-61.9-45173.4-75.8174.5-20.300111.3K220 A222 L226 D227 F228K220-Q224 WeakPolarHBondContact O-CB 3.48Å; K220-Q224 VanDerWaalsContact O-CG 3.24Å; K220-Q224 WeakPolarHBondContact O-CG 3.1Å; K220-Q224 PolarHBondContact O-N 2.87Å; A222-Q224 VanDerWaalsContact C-N 3.33Å; Q224-L226 VanDerWaalsContact C-N 3.3Å; Q224-L226 PolarHBondContact O-N 2.8Å; Q224-D227 PolarHBondContact O-N 3.34Å; Q224-F228 HydrophobicContact CB-CE2 4.43Å; Q224-F228 WeakPolarHBondContact O-CD2 3.47Å; Q224-F228 PolarHBondContact O-N 3.21Å
225R79.8Confident78.2Confident202 Ų202109.2 Ų109.276%0.76254%0.539SS*.Hα-helixtrans-60.5-39.1174.5-77.3-175-179.3-147.71.3112.6P221 A222 S229P221-R225 WeakPolarHBondContact O-CG 3.01Å; P221-R225 PolarHBondContact O-N 3.11Å; A222-R225 PolarHBondContact O-N 3.15Å; R225-S229 WeakPolarHBondContact O-CB 3.49Å; R225-S229 PolarHBondContact O-N 2.96Å
226L81.2Confident78.9Confident103 Ų103109.9 Ų109.954%0.53954%0.54SS..Hα-helixtrans-68.3-40.4175.2-75.2167.1000111.7A222 L223 Q224 F228 S229 V230A222-L226 WeakPolarHBondContact O-CG 3.43Å; A222-L226 PolarHBondContact O-N 2.82Å; L223-L226 PolarHBondContact O-N 3.29Å; Q224-L226 VanDerWaalsContact C-N 3.3Å; Q224-L226 PolarHBondContact O-N 2.8Å; L226-F228 VanDerWaalsContact C-N 3.35Å; L226-F228 PolarHBondContact O-N 2.9Å; L226-S229 PolarHBondContact O-N 3.17Å; L226-V230 VanDerWaalsContact O-CB 3.3Å; L226-V230 WeakPolarHBondContact O-CB 3.49Å; L226-V230 WeakPolarHBondContact O-CG2 3.48Å; L226-V230 PolarHBondContact O-N 2.79Å
227D83.1Confident79.6Confident113 Ų113107.2 Ų107.260%0.60453%0.531SS*.Hα-helixtrans-66.1-40178.1-156.726.8000110.7L223 Q224 R231L223-D227 WeakPolarHBondContact O-CB 3.32Å; L223-D227 PolarHBondContact O-N 3.08Å; Q224-D227 PolarHBondContact O-N 3.34Å; D227-R231 WeakPolarHBondContact O-CB 2.92Å; D227-R231 PolarHBondContact O-N 3.33Å
228F74.6Confident80.2Confident155 Ų155106.9 Ų106.968%0.6852%0.523SS*.Hα-helixtrans-66.6-39.9170.8-75.2-64.3000112.8Q224 L226 G232Q224-F228 HydrophobicContact CB-CE2 4.43Å; Q224-F228 WeakPolarHBondContact O-CD2 3.47Å; Q224-F228 PolarHBondContact O-N 3.21Å; L226-F228 VanDerWaalsContact C-N 3.35Å; L226-F228 PolarHBondContact O-N 2.9Å; F228-G232 PolarHBondContact O-N 2.77Å
229S79.9Confident80.7Confident76 Ų76105.6 Ų105.653%0.53152%0.518SS..Hα-helixtrans-67.7-44.7178.3177.10000111.9R225 L226 G232 Y233R225-S229 WeakPolarHBondContact O-CB 3.49Å; R225-S229 PolarHBondContact O-N 2.96Å; L226-S229 PolarHBondContact O-N 3.17Å; S229-G232 PolarHBondContact O-N 3.11Å; S229-Y233 VanDerWaalsContact O-CB 3.25Å; S229-Y233 WeakPolarHBondContact O-CB 3.47Å; S229-Y233 PolarHBondContact O-N 3.28Å
230V85.5Confident81.3Confident75 Ų75105 Ų10546%0.45551%0.513SS..Hα-helixtrans-67.7-41.6177.2171.60000110.3L226 Y233 M234L226-V230 VanDerWaalsContact O-CB 3.3Å; L226-V230 WeakPolarHBondContact O-CB 3.49Å; L226-V230 WeakPolarHBondContact O-CG2 3.48Å; L226-V230 PolarHBondContact O-N 2.79Å; V230-Y233 PolarHBondContact O-N 3.21Å; V230-M234 HydrophobicContact CG1-SD 4.37Å; V230-M234 WeakPolarHBondContact O-CB 3.22Å; V230-M234 WeakPolarHBondContact O-CG 3.4Å; V230-M234 PolarHBondContact O-N 3.21Å
231R82.3Confident81.3Confident172 Ų172106.7 Ų106.765%0.64952%0.516SS*.Hα-helixtrans-66.6-39174.8-166.9169.6-175.8173.8-0.3111.6D227 M234 M235D227-R231 WeakPolarHBondContact O-CB 2.92Å; D227-R231 PolarHBondContact O-N 3.33Å; R231-M234 PolarHBondContact O-N 3.02Å; R231-M235 WeakPolarHBondContact O-CB 3.11Å; R231-M235 WeakPolarHBondContact O-CG 3.12Å; R231-M235 PolarHBondContact O-N 3.49Å
232G82.6Confident81.4Confident40 Ų40108.5 Ų108.541%0.41252%0.519SS..Hα-helixtrans-64.1-41.4172.200000112.7F228 S229 M235 S236F228-G232 PolarHBondContact O-N 2.77Å; S229-G232 PolarHBondContact O-N 3.11Å; G232-M235 PolarHBondContact O-N 3.3Å; G232-S236 WeakPolarHBondContact O-CB 3.44Å; G232-S236 PolarHBondContact O-N 3.24Å; G232-S236 PolarHBondContact O-OG 3.38Å
233Y82.7Confident81.7Confident140 Ų140111.2 Ų111.255%0.54953%0.527SS..Hα-helixtrans-65.8-41.7174.5-179.8-98.5000111.8S229 V230 S236 K237S229-Y233 VanDerWaalsContact O-CB 3.25Å; S229-Y233 WeakPolarHBondContact O-CB 3.47Å; S229-Y233 PolarHBondContact O-N 3.28Å; V230-Y233 PolarHBondContact O-N 3.21Å; Y233-S236 WeakPolarHBondContact CA-OG 3.35Å; Y233-S236 PolarHBondContact O-OG 3.09Å; Y233-K237 HydrophobicContact CE1-CG 4.24Å; Y233-K237 WeakPolarHBondContact O-CB 3.25Å; Y233-K237 PolarHBondContact O-N 3.4Å; Y233-K237 WeakPolarHBondContact OH-CE 3.2Å
234M83.9Confident81.7Confident118 Ų118114.8 Ų114.858%0.58153%0.534SS*.Hα-helixtrans-66.5-43.5175.6-82.3-176.65500112V230 R231 K237 Q238V230-M234 HydrophobicContact CG1-SD 4.37Å; V230-M234 WeakPolarHBondContact O-CB 3.22Å; V230-M234 WeakPolarHBondContact O-CG 3.4Å; V230-M234 PolarHBondContact O-N 3.21Å; R231-M234 PolarHBondContact O-N 3.02Å; M234-K237 PolarHBondContact O-N 2.98Å; M234-Q238 WeakPolarHBondContact O-CB 3.44Å; M234-Q238 PolarHBondContact O-N 2.79Å
235M79.6Confident81.3Confident116 Ų116117.9 Ų117.957%0.57154%0.542SS*.Hα-helixtrans-68.5-37.9179.2-69.5-66-90.800111.7R231 G232 Q238 R239R231-M235 WeakPolarHBondContact O-CB 3.11Å; R231-M235 WeakPolarHBondContact O-CG 3.12Å; R231-M235 PolarHBondContact O-N 3.49Å; G232-M235 PolarHBondContact O-N 3.3Å; M235-Q238 PolarHBondContact O-N 3Å; M235-R239 WeakPolarHBondContact O-CB 3.28Å; M235-R239 PolarHBondContact O-N 2.77Å
236S80.1Confident80.9Confident64 Ų64117 Ų11745%0.44854%0.538SS..Hα-helixtrans-67.2-45.7173.655.70000112G232 Y233 Q238 R239 E240G232-S236 WeakPolarHBondContact O-CB 3.44Å; G232-S236 PolarHBondContact O-N 3.24Å; G232-S236 PolarHBondContact O-OG 3.38Å; Y233-S236 WeakPolarHBondContact CA-OG 3.35Å; Y233-S236 PolarHBondContact O-OG 3.09Å; S236-Q238 VanDerWaalsContact C-N 3.29Å; S236-Q238 PolarHBondContact O-N 3.33Å; S236-R239 PolarHBondContact O-N 2.71Å; S236-E240 WeakPolarHBondContact O-CB 3.47Å; S236-E240 PolarHBondContact O-N 2.99Å
237K84.2Confident80.5Confident81 Ų81115.6 Ų115.635%0.35254%0.542SS..Hα-helixtrans-61.2-36.5171.8-96-119.9174176.40112.8Y233 M234 R241Y233-K237 HydrophobicContact CE1-CG 4.24Å; Y233-K237 WeakPolarHBondContact O-CB 3.25Å; Y233-K237 PolarHBondContact O-N 3.4Å; Y233-K237 WeakPolarHBondContact OH-CE 3.2Å; M234-K237 PolarHBondContact O-N 2.98Å; K237-R241 WeakPolarHBondContact O-CB 3.45Å; K237-R241 WeakPolarHBondContact O-CD 3.41Å; K237-R241 WeakPolarHBondContact O-CG 3.18Å; K237-R241 PolarHBondContact O-N 3.17Å
238Q83.4Confident79.8Confident94 Ų94117 Ų11744%0.43955%0.549SS..Hα-helixtrans-68.5-43.5176.7-178.9173-2600111.1M234 M235 S236 R241 Q242M234-Q238 WeakPolarHBondContact O-CB 3.44Å; M234-Q238 PolarHBondContact O-N 2.79Å; M235-Q238 PolarHBondContact O-N 3Å; S236-Q238 VanDerWaalsContact C-N 3.29Å; S236-Q238 PolarHBondContact O-N 3.33Å; Q238-R241 PolarHBondContact O-N 3.07Å; Q238-Q242 WeakPolarHBondContact O-CG 3.45Å; Q238-Q242 PolarHBondContact O-N 3.46Å
239R82.7Confident79Confident175 Ų175114.9 Ų114.966%0.6654%0.541SS*.Hα-helixtrans-63.2-43175.1-172.1177.7-176.7178.91111.4M235 S236 R241 Q242 L243M235-R239 WeakPolarHBondContact O-CB 3.28Å; M235-R239 PolarHBondContact O-N 2.77Å; S236-R239 PolarHBondContact O-N 2.71Å; R239-R241 PolarHBondContact O-N 2.73Å; R239-Q242 WeakPolarHBondContact O-CB 3.35Å; R239-Q242 PolarHBondContact O-N 3.18Å; R239-L243 HydrophobicContact CG-CD1 4.19Å; R239-L243 WeakPolarHBondContact O-CB 3.22Å; R239-L243 WeakPolarHBondContact O-CG 3.3Å; R239-L243 PolarHBondContact O-N 2.86Å
240E85.5Confident78Confident80 Ų80115.5 Ų115.537%0.37454%0.543SS..Hα-helixtrans-60.9-44175.2-168.5-167168.300111.4S236 Q242 L243 R244S236-E240 WeakPolarHBondContact O-CB 3.47Å; S236-E240 PolarHBondContact O-N 2.99Å; E240-Q242 VanDerWaalsContact C-N 3.33Å; E240-Q242 PolarHBondContact O-N 3.33Å; E240-L243 PolarHBondContact O-N 2.7Å; E240-R244 WeakPolarHBondContact O-CB 3.08Å; E240-R244 WeakPolarHBondContact O-CG 3.41Å; E240-R244 PolarHBondContact O-N 3.38Å; E240-R244 IonicContact OE1-CZ 3.53Å; E240-R244 VanDerWaalsContact OE1-CZ 3.28Å; E240-R244 IonicContact OE1-NE 2.73Å; E240-R244 PolarHBondContact OE1-NE 3.49Å; E240-R244 IonicContact OE1-NH2 3.95Å; E240-R244 PolarHBondContact OE1-NH2 2.93Å
241R82Confident76.5Confident144 Ų144119.9 Ų119.954%0.54356%0.558SS.*Hα-helixtrans-63.7-37174.5-73.4168.2179.1-177.1-0.8112.6K237 Q238 R239 R245K237-R241 WeakPolarHBondContact O-CB 3.45Å; K237-R241 WeakPolarHBondContact O-CD 3.41Å; K237-R241 WeakPolarHBondContact O-CG 3.18Å; K237-R241 PolarHBondContact O-N 3.17Å; Q238-R241 PolarHBondContact O-N 3.07Å; R239-R241 PolarHBondContact O-N 2.73Å; R241-R245 WeakPolarHBondContact O-CB 3.32Å; R241-R245 WeakPolarHBondContact O-CG 3.29Å; R241-R245 PolarHBondContact O-N 2.76Å
242Q80.6Confident75Confident104 Ų104120.6 Ų120.649%0.48656%0.561SS.*Hα-helixtrans-67.3-43.2175-76.1179.4-7.600111.4Q238 R239 E240 R245 R246Q238-Q242 WeakPolarHBondContact O-CG 3.45Å; Q238-Q242 PolarHBondContact O-N 3.46Å; R239-Q242 WeakPolarHBondContact O-CB 3.35Å; R239-Q242 PolarHBondContact O-N 3.18Å; E240-Q242 VanDerWaalsContact C-N 3.33Å; E240-Q242 PolarHBondContact O-N 3.33Å; Q242-R245 PolarHBondContact O-N 3.36Å; Q242-R246 WeakPolarHBondContact O-CB 3.11Å; Q242-R246 PolarHBondContact O-N 2.89Å
243L83.8Confident73.5Confident100 Ų100120.9 Ų120.952%0.52456%0.56SS.*Hα-helixtrans-64.8-44.8176.1-71.7170.1000111.6R239 E240 R245 R246 A247R239-L243 HydrophobicContact CG-CD1 4.19Å; R239-L243 WeakPolarHBondContact O-CB 3.22Å; R239-L243 WeakPolarHBondContact O-CG 3.3Å; R239-L243 PolarHBondContact O-N 2.86Å; E240-L243 PolarHBondContact O-N 2.7Å; L243-R245 VanDerWaalsContact C-N 3.32Å; L243-R245 PolarHBondContact O-N 3.43Å; L243-R246 PolarHBondContact O-N 3.33Å; L243-R246 VanDerWaalsContact O-N 3.13Å; L243-A247 WeakPolarHBondContact O-CB 3.23Å; L243-A247 PolarHBondContact O-N 2.76Å
244R76.9Confident71.9Confident160 Ų160122.1 Ų122.160%0.60457%0.573SS**Hα-helixtrans-60.3-40.7173.3-72.7-174.6-171-152.32.6111.8E240 R246 A247 L248E240-R244 WeakPolarHBondContact O-CB 3.08Å; E240-R244 WeakPolarHBondContact O-CG 3.41Å; E240-R244 PolarHBondContact O-N 3.38Å; E240-R244 IonicContact OE1-CZ 3.53Å; E240-R244 VanDerWaalsContact OE1-CZ 3.28Å; E240-R244 IonicContact OE1-NE 2.73Å; E240-R244 PolarHBondContact OE1-NE 3.49Å; E240-R244 IonicContact OE1-NH2 3.95Å; E240-R244 PolarHBondContact OE1-NH2 2.93Å; R244-R246 VanDerWaalsContact C-N 3.34Å; R244-A247 PolarHBondContact O-N 2.91Å; R244-L248 WeakPolarHBondContact O-CB 2.98Å; R244-L248 WeakPolarHBondContact O-CD1 3.38Å; R244-L248 VanDerWaalsContact O-CG 3.26Å; R244-L248 WeakPolarHBondContact O-CG 3.24Å; R244-L248 PolarHBondContact O-N 3.5Å
245R73.4Confident70.1Confident163 Ų163122.8 Ų122.862%0.61558%0.579SS**Hα-helixtrans-64.9-35.6174-84.5-166.3-79.9-109.75.2113.1R241 Q242 L243 H249R241-R245 WeakPolarHBondContact O-CB 3.32Å; R241-R245 WeakPolarHBondContact O-CG 3.29Å; R241-R245 PolarHBondContact O-N 2.76Å; Q242-R245 PolarHBondContact O-N 3.36Å; L243-R245 VanDerWaalsContact C-N 3.32Å; L243-R245 PolarHBondContact O-N 3.43Å; R245-H249 PolarHBondContact O-N 2.77Å
246R72.1Confident68.7Low183 Ų183123.8 Ų123.869%0.69159%0.586SS**Hα-helixtrans-72.4-37.7176.9-146.1168.4-164.9133.70.8111.7Q242 L243 R244 H249Q242-R246 WeakPolarHBondContact O-CB 3.11Å; Q242-R246 PolarHBondContact O-N 2.89Å; L243-R246 PolarHBondContact O-N 3.33Å; L243-R246 VanDerWaalsContact O-N 3.13Å; R244-R246 VanDerWaalsContact C-N 3.34Å; R246-H249 CarbonylContact O-C 3.43Å; R246-H249 PolarHBondContact O-N 2.88Å
247A72.4Confident67Low74 Ų74126 Ų12661%0.61259%0.589SS**Hα-helixtrans-70.4-31.8174.600000113.1L243 R244 H249 P250L243-A247 WeakPolarHBondContact O-CB 3.23Å; L243-A247 PolarHBondContact O-N 2.76Å; R244-A247 PolarHBondContact O-N 2.91Å; A247-H249 VanDerWaalsContact C-N 3.31Å; A247-P250 WeakPolarHBondContact O-CG 3.26Å
248L68.7Low65.2Low144 Ų144126 Ų12675%0.75460%0.599SS**THydrogen-bonded Turntrans-77.9-12.8174.7-75.8162.4000113.5R244 P250R244-L248 WeakPolarHBondContact O-CB 2.98Å; R244-L248 WeakPolarHBondContact O-CD1 3.38Å; R244-L248 VanDerWaalsContact O-CG 3.26Å; R244-L248 WeakPolarHBondContact O-CG 3.24Å; R244-L248 PolarHBondContact O-N 3.5Å; L248-P250 VanDerWaalsContact C-CD 3.48Å
249H56.8Low63.7Low109 Ų109127.8 Ų127.851%0.50561%0.612SS.*  trans-128.763.4177.2-119.7-48.7000112.1R245 R246 A247 E251 R252R245-H249 PolarHBondContact O-N 2.77Å; R246-H249 CarbonylContact O-C 3.43Å; R246-H249 PolarHBondContact O-N 2.88Å; A247-H249 VanDerWaalsContact C-N 3.31Å; H249-E251 VanDerWaalsContact C-N 3.27Å; H249-E251 PolarHBondContact O-N 3.4Å; H249-R252 PolarHBondContact O-N 3.22Å
250P58.1Low62.2Low89 Ų89123.6 Ų123.658%0.57861%0.609SS**G310 helixtrans-63.2-34.3179.5-16.730.5000112.7A247 L248 R252 A253A247-P250 WeakPolarHBondContact O-CG 3.26Å; L248-P250 VanDerWaalsContact C-CD 3.48Å; P250-R252 PolarHBondContact O-N 2.78Å; P250-R252 VanDerWaalsContact O-N 3.1Å; P250-A253 PolarHBondContact O-N 3.21Å; P250-A253 VanDerWaalsContact O-N 3.12Å
251E54.1Low60.6Low167 Ų167125.2 Ų125.278%0.7862%0.617SS**G310 helixtrans-64.8-11.8-177.5-74.5-79.4141.300114.8H249H249-E251 VanDerWaalsContact C-N 3.27Å; H249-E251 PolarHBondContact O-N 3.4Å
252R52.4Low59.4Low187 Ų187124.8 Ų124.871%0.70662%0.621SS**G310 helixtrans-105.1-2.1176.6-120.6-177.3-173.696.83113.8H249 P250H249-R252 PolarHBondContact O-N 3.22Å; P250-R252 PolarHBondContact O-N 2.78Å; P250-R252 VanDerWaalsContact O-N 3.1Å
253A50.7Low58.1Low46 Ų46126.7 Ų126.738%0.3863%0.63SS.*THydrogen-bonded Turntrans-95.5-18.3-17900000113.1P250 D255P250-A253 PolarHBondContact O-N 3.21Å; P250-A253 VanDerWaalsContact O-N 3.12Å; A253-D255 VanDerWaalsContact C-N 3.32Å
254M48.2Very low56.5Low167 Ų167128.7 Ų128.782%0.82364%0.64SS**G310 helixtrans-68.5-32.1175.5-160.183149.700111.8N256M254-N256 VanDerWaalsContact C-N 3.3Å; M254-N256 PolarHBondContact O-N 3.27Å
255D47.1Very low55.7Low132 Ų132124.3 Ų124.371%0.70664%0.638SS**G310 helixtrans-83.3-0.8-172.6-57.6-16.3000114.2A253A253-D255 VanDerWaalsContact C-N 3.32Å
256N49.2Very low55Low136 Ų136120.3 Ų120.373%0.72764%0.64SS**G310 helixtrans-133.520.7-172.6-15187.4000113.5M254M254-N256 VanDerWaalsContact C-N 3.3Å; M254-N256 PolarHBondContact O-N 3.27Å
257H44.6Very low54.1Low112 Ų112120.4 Ų120.452%0.51965%0.646SS.*  trans-93.8-0.7175-157.8-88.4000113.4E261H257-E261 IonicContact CE1-OE1 3.94Å; H257-E261 PolarHBondContact CE1-OE1 3.24Å; H257-E261 IonicContact CE1-OE2 3.35Å; H257-E261 PolarHBondContact CE1-OE2 3.02Å; H257-E261 IonicContact ND1-OE1 2.98Å; H257-E261 PolarHBondContact ND1-OE1 2.84Å; H257-E261 IonicContact ND1-OE2 3.38Å
258S46.8Very low53.3Low80 Ų80121 Ų12156%0.55965%0.645SS**SBendtrans-82.9-16.3-166.7-152.80000116.3
259D52.7Low52.6Low132 Ų132119.4 Ų119.471%0.70664%0.643SS**SBendtrans-116-11.3-165.1-67.6-11.9000115.4
260S50.2Low52.6Low86 Ų86123.5 Ų123.560%0.60166%0.663SS**SBendtrans-107.8-12.8-170.750.20000116.2
261E52.5Low52.4Low115 Ų115125.2 Ų125.254%0.53767%0.666SS.*SBendtrans-93-21176.265.5-176.2146.700113.4H257 A265H257-E261 IonicContact CE1-OE1 3.94Å; H257-E261 PolarHBondContact CE1-OE1 3.24Å; H257-E261 IonicContact CE1-OE2 3.35Å; H257-E261 PolarHBondContact CE1-OE2 3.02Å; H257-E261 IonicContact ND1-OE1 2.98Å; H257-E261 PolarHBondContact ND1-OE1 2.84Å; H257-E261 IonicContact ND1-OE2 3.38Å; E261-A265 PolarHBondContact O-N 2.89Å
262E55.7Low52Low135 Ų135122.8 Ų122.863%0.63166%0.658SS**Hα-helixtrans-76.1-27.6179.8-62.9-172.6161.100112.7A266E262-A266 PolarHBondContact O-N 2.94Å
263E52.7Low52.3Low144 Ų144120.2 Ų120.267%0.67366%0.659SS**Hα-helixtrans-78-28.8-179.5-62.1-167.2160.700113.7F267E263-F267 WeakPolarHBondContact O-CD2 3.37Å
264L51.8Low52.5Low141 Ų141122.3 Ų122.374%0.73867%0.671SS**Hα-helixtrans-80.4-28.9173.7-98.587.2000112.5A266 F267L264-A266 VanDerWaalsContact C-N 3.26Å; L264-A266 PolarHBondContact O-N 3.5Å; L264-F267 PolarHBondContact O-N 3.46Å
265A58.6Low52.7Low68 Ų68117.9 Ų117.956%0.56265%0.653SS**Hα-helixtrans-69.2-24.5176.900000112.7E261 F267 C268E261-A265 PolarHBondContact O-N 2.89Å; A265-F267 PolarHBondContact O-N 3.33Å; A265-C268 PolarHBondContact O-N 3.44Å
266A59.2Low53.1Low80 Ų80114.4 Ų114.466%0.66164%0.637SS**THydrogen-bonded Turntrans-70.6-12.8178.200000114.7E262 L264E262-A266 PolarHBondContact O-N 2.94Å; L264-A266 VanDerWaalsContact C-N 3.26Å; L264-A266 PolarHBondContact O-N 3.5Å
267F54.5Low53.4Low184 Ų184111 Ų11181%0.80763%0.628SS**THydrogen-bonded Turntrans-103.7-1.1-179.8-73.1-79.5000114.4E263 L264 A265E263-F267 WeakPolarHBondContact O-CD2 3.37Å; L264-F267 PolarHBondContact O-N 3.46Å; A265-F267 PolarHBondContact O-N 3.33Å
268C54.2Low53.8Low88 Ų88114.8 Ų114.860%0.59564%0.637SS**SBendtrans-87.6124169.2-67.80000108.7A265 Q270A265-C268 PolarHBondContact O-N 3.44Å; C268-Q270 PolarHBondContact O-N 3.31Å
269P54.5Low54.2Low110 Ų110118 Ų11871%0.71464%0.643SS**  trans-58.2125.8170.6-2.49.8000108.3L271P269-L271 PolarHBondContact O-N 3.44Å
270Q56Low54.3Low195 Ų195118.3 Ų118.391%0.91164%0.644SS**  trans-62.698.9175.5-73.7179-12.300108.4C268 D272C268-Q270 PolarHBondContact O-N 3.31Å; Q270-D272 PolarHBondContact O-N 2.69Å
271L54.4Low54.4Low124 Ų124118.2 Ų118.265%0.64965%0.648SS**  trans-76113.1165.4-93101.1000107.5P269 D273 V276P269-L271 PolarHBondContact O-N 3.44Å; L271-D273 PolarHBondContact O-N 2.83Å; L271-V276 HydrophobicContact CD2-CG2 3.58Å
272D45.9Very low54.6Low116 Ų116119 Ų11962%0.6266%0.655SS**  trans-67.4111.6166.3-103.2-29.6000108.8Q270 S274 T275Q270-D272 PolarHBondContact O-N 2.69Å; D272-S274 PolarHBondContact O-N 3.19Å; D272-T275 WeakPolarHBondContact CB-OG1 3.33Å; D272-T275 PolarHBondContact O-N 2.93Å; D272-T275 PolarHBondContact O-OG1 3.43Å
273D58.7Low54.2Low133 Ų133119 Ų11971%0.71166%0.664SS**Hα-helixtrans-56.9-18.8177.3-75.5-30.8000113L271 A277L271-D273 PolarHBondContact O-N 2.83Å; D273-A277 WeakPolarHBondContact O-CB 3.35Å; D273-A277 PolarHBondContact O-N 3.45Å
274S55.2Low53.8Low90 Ų90120 Ų12063%0.62967%0.674SS**Hα-helixtrans-76.5-21.7177.870.50000114.1D272 R278D272-S274 PolarHBondContact O-N 3.19Å; S274-R278 WeakPolarHBondContact O-CB 3.44Å
275T53.3Low53.5Low75 Ų75117.6 Ų117.646%0.4667%0.67SS.*Hα-helixtrans-87.4-39.4175.44.20000111.5D272 R278 E279D272-T275 WeakPolarHBondContact CB-OG1 3.33Å; D272-T275 PolarHBondContact O-N 2.93Å; D272-T275 PolarHBondContact O-OG1 3.43Å; T275-R278 PolarHBondContact O-N 3.49Å; T275-E279 WeakPolarHBondContact O-CG 3.39Å; T275-E279 PolarHBondContact O-N 3.26Å
276V55.3Low52.5Low59 Ų59122.1 Ų122.136%0.35868%0.679SS.*Hα-helixtrans-68-38.8177.8-178.60000111.6L271 R278 E279 L280L271-V276 HydrophobicContact CD2-CG2 3.58Å; V276-R278 VanDerWaalsContact C-N 3.26Å; V276-R278 PolarHBondContact O-N 2.84Å; V276-E279 PolarHBondContact O-N 3.31Å; V276-L280 HydrophobicContact CG1-CD1 4.14Å; V276-L280 PolarHBondContact O-N 3.38Å; V276-L280 VanDerWaalsContact O-N 3.09Å
277A55.5Low51.5Low65 Ų65126.3 Ų126.354%0.53769%0.685SS.*Hα-helixtrans-68.5-24.8174.200000113.1D273D273-A277 WeakPolarHBondContact O-CB 3.35Å; D273-A277 PolarHBondContact O-N 3.45Å
278R52.6Low50.6Low190 Ų190123.3 Ų123.372%0.71769%0.687SS**Hα-helixtrans-81.4-28.9176.5-172.7173.6174.4164.2-1.8112.5S274 T275 V276S274-R278 WeakPolarHBondContact O-CB 3.44Å; T275-R278 PolarHBondContact O-N 3.49Å; V276-R278 VanDerWaalsContact C-N 3.26Å; V276-R278 PolarHBondContact O-N 2.84Å
279E55.3Low50.3Low147 Ų147126.2 Ų126.269%0.68770%0.696SS**Hα-helixtrans-84.9-23.4176.7-65.5-165.4-179.900113.1T275 V276 A281T275-E279 WeakPolarHBondContact O-CG 3.39Å; T275-E279 PolarHBondContact O-N 3.26Å; V276-E279 PolarHBondContact O-N 3.31Å; E279-A281 VanDerWaalsContact C-N 3.3Å; E279-A281 PolarHBondContact O-N 2.85Å
280L54.8Low49.6Very low140 Ų140125.3 Ų125.373%0.73370%0.698SS**THydrogen-bonded Turntrans-76.9-10.6170.2-80.2164.9000114.4V276V276-L280 HydrophobicContact CG1-CD1 4.14Å; V276-L280 PolarHBondContact O-N 3.38Å; V276-L280 VanDerWaalsContact O-N 3.09Å
281A52.4Low48.9Very low83 Ų83124.5 Ų124.569%0.68669%0.694SS**THydrogen-bonded Turntrans-91.92.1178.800000113.8E279E279-A281 VanDerWaalsContact C-N 3.3Å; E279-A281 PolarHBondContact O-N 2.85Å
282I55.2Low48.2Very low133 Ų133124.9 Ų124.968%0.68270%0.701SS**SBendtrans-12956.4-177.2-34.4171000109.9
283T47.8Very low47.8Very low133 Ų133123.9 Ų123.982%0.81670%0.703SS**  trans-153.574.1162.7-16.90000110
284D45.8Very low47Very low165 Ų165122.9 Ų122.988%0.88271%0.706SS**  trans-120.9100.1162.8-174.521.4000107.8
285S44.1Very low46.5Very low92 Ų92124.9 Ų124.964%0.64371%0.714SS**  trans-168.195.4160.1-178.70000108.5
286E38.9Very low45.7Very low162 Ų162128 Ų12876%0.75773%0.728SS**  trans40.5121.5136.976.9-150.5101.800122.7
287H36.9Very low44.9Very low169 Ų169132.3 Ų132.378%0.78275%0.749SS**  trans45.1115.8130.3-98.269.9000120.4
288S37.1Very low44.3Very low121 Ų121132.6 Ų132.685%0.84676%0.759SS**  -167.4131.3115-87.30000112.1
289D47.1Very low43.4Very low148 Ų148128.7 Ų128.779%0.79176%0.756SS**  trans-55.2133159.7-57.7-51.5000110.5
290A38.6Very low42.5Very low92 Ų92130.7 Ų130.776%0.7676%0.763SS**  trans-172.5105.3149.600000110.3
291E42.2Very low41.8Very low178 Ų178130.1 Ų130.183%0.83276%0.76SS**  trans-37.7159.4146.249.3-149.2127.400115.5
292V38.8Very low41.1Very low131 Ų131134.1 Ų134.179%0.79477%0.769SS**  trans104.7104.7162.7-174.60000117
293S38.5Very low40.7Very low95 Ų95133.4 Ų133.466%0.66478%0.776SS**  32.7123.3124.8-1680000118.6
294C42.9Very low40.4Very low113 Ų113138.5 Ų138.576%0.76478%0.781SS**  178.8134.6103.3-91.20000110.6
295T44.4Very low40.1Very low132 Ų132134 Ų13481%0.8177%0.773SS**  trans-35.3133.7158.151.30000113.8
296D35.2Very low39.7Very low141 Ų141137.3 Ų137.375%0.75478%0.778SS**  trans-150.8106.8146.1-157.917.3000112.7
297N40Very low39.6Very low148 Ų148136.2 Ų136.279%0.79178%0.783SS**  trans11.3136.6147.9-57.1-31.7000121.1
298G40.9Very low40.1Very low72 Ų72133.3 Ų133.374%0.74278%0.779SS**  trans-179.838.3163.400000118.7
299T35.2Very low40.1Very low107 Ų107134.6 Ų134.666%0.65678%0.776SS**  trans29.2118144-31.30000120.1
300F36.1Very low39.5Very low189 Ų189134.6 Ų134.683%0.82978%0.781SS**  175.8126.2103.9-106.8-85000114.7
301N39.7Very low39.6Very low128 Ų128139.2 Ų139.268%0.68479%0.787SS**  trans-20.3144.7163.5-58.9-85.8000120.6
302L38.5Very low39.2Very low167 Ų167133.8 Ų133.887%0.87478%0.779SS**  -160.5130.3116.3-95.9174.1000112.9
303S47.2Very low39.3Very low118 Ų118132.5 Ų132.583%0.82578%0.776SS**  trans85.791.6155.2-63.40000121
304R41.4Very low39.3Very low241 Ų241136 Ų13691%0.90978%0.782SS**  trans-87.4142.8158.8-171.3-177.3-175.5119.5-0.7109.8
305G38.9Very low39.3Very low71 Ų71138.4 Ų138.473%0.73279%0.787SS**  trans17277167.500000112.7
306Q36.1Very low39.2Very low160 Ų160139.9 Ų139.975%0.74879%0.789SS**  90.6104.689.9-165.485.4-5.400113.7
307T35Very low40Very low140 Ų140141.3 Ų141.386%0.85980%0.797SS**  trans-162.9154.9132.231.90000109.4
308P48.9Very low40.3Very low107 Ų107136.9 Ų136.970%0.69579%0.786SS**  trans-109.3152.4-130.438.2-33.1000117.5
309L35.8Very low40.1Very low149 Ų149142.1 Ų142.178%0.7879%0.791SS**  trans15.2129.5142.9-59.5175.1000121.1
310T35.3Very low40.7Very low147 Ų147141.8 Ų141.890%0.90279%0.793SS**  -146114.8112.348.80000110.4
311E39.7Very low40.9Very low189 Ų189140.6 Ų140.688%0.88380%0.795SS**  trans-86.5156.7158.5-84.7-174.3142.100110
312G33.8Very low41.6Very low64 Ų64139.3 Ų139.366%0.6679%0.794SS**  trans132.981.3166.100000110.6
313S41.2Very low42.1Very low104 Ų104139.9 Ų139.973%0.72779%0.792SS**  79.1143.879.669.20000113.5
314E40Very low42.2Very low170 Ų170143.3 Ų143.379%0.79480%0.795SS**  trans99.2106.9154.290.4-161.985.800119.4
315D41.7Very low42.7Very low163 Ų163136.5 Ų136.587%0.87278%0.784SS**  trans-58.6129.7166.7-55.3-66.6000111.3
316L42.7Very low43.3Very low162 Ų162142.3 Ų142.385%0.84879%0.79SS**  trans-129.5106.2157.8-95.3163.7000107.8G318L316-G318 PolarHBondContact O-N 3.29Å
317D52.6Low44Very low171 Ų171139.4 Ų139.491%0.91479%0.793SS**  trans-45.4125163.8-85.1-41.9000110.8
318G45Very low44.6Very low56 Ų56143.2 Ų143.258%0.57779%0.792SS**  trans159.1101.9167.600000114.1L316L316-G318 PolarHBondContact O-N 3.29Å
319H37.1Very low44.8Very low182 Ų182145.4 Ų145.484%0.84380%0.798SS**  trans115.492.1147-59.4-64.5000117.1
320S47.5Very low45.4Very low99 Ų99144.9 Ų144.969%0.69280%0.795SS**  45.7100.3122.746.70000117.9P322S320-P322 WeakPolarHBondContact O-CD 3.34Å
321D40.7Very low46.3Very low165 Ų165143.2 Ų143.288%0.88279%0.787SS**  trans-76125.7154-94.2-36.7000110.7
322P55.3Low46.7Very low101 Ų101142 Ų14266%0.65679%0.787SS**  trans-126.139.6168.539.2-21.7000112.3S320S320-P322 WeakPolarHBondContact O-CD 3.34Å
323E48.2Very low47Very low178 Ų178147.6 Ų147.683%0.83279%0.793SS**  trans-111.73.4178.3-63.7-143.9126.200115.4
324E49.3Very low47.1Very low191 Ų191148.6 Ų148.689%0.89380%0.797SS**SBendtrans-976.8175-64.3-161.2147.300115
325S52Low47.1Very low98 Ų98145.6 Ų145.669%0.68580%0.795SS**SBendtrans-102.90.6-176.3-163.80000115.9
326F50.9Low46.9Very low192 Ų192145.1 Ų145.184%0.84279%0.791SS**SBendtrans-102.30.4-177.6-88.5-78.4000115.5
327A50.5Low46.6Very low99 Ų99144 Ų14482%0.81879%0.786SS**SBendtrans-10313.6178.300000114.2
328R48.8Very low46.1Very low220 Ų220142 Ų14283%0.8378%0.779SS**SBendtrans-105.4-1.4-173.5-112.2-178.5-176.81483.1117.2
329D52.3Low45.7Very low154 Ų154146.2 Ų146.282%0.82479%0.788SS**  trans-141.758.7-177.6-71.5-51.1000114
330L49.9Very low46.4Very low137 Ų137143.3 Ų143.372%0.71779%0.786SS**  trans-114.9130.2158.9-97.588.3000110.1
331P53.3Low46.1Very low113 Ų113143.6 Ų143.673%0.73479%0.794SS**PPolyproline II helixtrans-70.3142.617728.8-32.1000111.2F333P331-F333 PolarHBondContact O-N 3.42Å
332D47.2Very low45.7Very low164 Ų164139.2 Ų139.288%0.87779%0.788SS**PPolyproline II helixtrans-53.1127.9-179.2-67.8-49.4000112.8
333F41Very low44.9Very low181 Ų181142.6 Ų142.679%0.79480%0.799SS**PPolyproline II helixtrans-80.8136.7169.2-76.9-85.2000110.1P331 S335P331-F333 PolarHBondContact O-N 3.42Å; F333-S335 PolarHBondContact O-N 3.3Å
334P43.9Very low44.3Very low124 Ų124141.5 Ų141.581%0.80580%0.799SS**PPolyproline II helixtrans-70.4122.8-177.627.8-31.6000110.6I336P334-I336 PolarHBondContact O-N 3.18Å
335S40.2Very low43.9Very low108 Ų108138.5 Ų138.576%0.75579%0.789SS**  trans-71.2114.9168.545.80000109.7F333 N337F333-S335 PolarHBondContact O-N 3.3Å; S335-N337 PolarHBondContact O-N 2.97Å
336I36.1Very low43.4Very low153 Ų153140.7 Ų140.779%0.78579%0.789SS**  trans-80.7106.8169-163.1122.1000108.5P334 V338P334-I336 PolarHBondContact O-N 3.18Å; I336-V338 PolarHBondContact O-N 2.9Å
337N36.2Very low43.2Very low139 Ų139139.4 Ų139.474%0.74379%0.79SS**  trans-68.8119.1163.4-83.3-32.4000107.9S335S335-N337 PolarHBondContact O-N 2.97Å
338V42.8Very low42.8Very low128 Ų128141.9 Ų141.978%0.77679%0.79SS**  trans-99.398.1163.1176.50000106.3I336I336-V338 PolarHBondContact O-N 2.9Å
339D37.3Very low42.2Very low144 Ų144137.6 Ų137.677%0.7779%0.789SS**  trans-72.4141.9166.4-85.7-37.5000110.1
340P51.6Low41.5Very low122 Ų122136.1 Ų136.179%0.79279%0.79SS**  trans-94.8112.5178.234.4-27.6000110.7
341A39.8Very low40.9Very low105 Ų105137.7 Ų137.787%0.86880%0.798SS**  trans-160.6127.8164.200000112.5
342G33.9Very low39.9Very low72 Ų72135.5 Ų135.574%0.74280%0.796SS**  trans117.383.6177.400000110.3
343L38.5Very low39.4Very low172 Ų172135.1 Ų135.190%0.90179%0.79SS**  44.785.762.3-77.6172.9000112.7
344D35.1Very low39.1Very low156 Ų156132.6 Ų132.683%0.83479%0.792SS**  trans-177101.4130.9-131.224.7000106.5
345D40.9Very low38.3Very low128 Ų128131.3 Ų131.368%0.68479%0.786SS**  75.413081.1-99.417.8000114.9
346E41.3Very low37.8Very low144 Ų144133.6 Ų133.667%0.67379%0.789SS**  trans63.5106.1159.4-40.9-51.387.600120.6
347D46.3Very low37.3Very low164 Ų164135.6 Ų135.688%0.87780%0.797SS**  172.6134.499.6-91.7-33000113.6
348D42.8Very low36.9Very low152 Ų152138.3 Ų138.381%0.81380%0.798SS**  trans-78.6153.1-172.9-90-47000115.1
349T36.7Very low36.1Very low130 Ų130143.9 Ų143.980%0.79881%0.806SS**  trans-13.1128.615554.90000118.7
350S36.2Very low35.6Very low122 Ų122141.3 Ų141.385%0.85380%0.799SS**  trans-143.597.9151.5-151.70000111.5
351I38.6Very low35.7Very low171 Ų171141.1 Ų141.188%0.87780%0.798SS**  trans-121.2103.8154.8-71.3178.6000106.1
352G30.7Very low36Very low67 Ų67142 Ų14269%0.69179%0.794SS**  trans-73130.4176.400000112.1
353M36.9Very low35.6Very low156 Ų156142 Ų14277%0.76879%0.794SS**  trans-76.2164.4157.1-70.7-76.8-8000109.9
354P35.2Very low35.1Very low127 Ų127138.4 Ų138.483%0.82579%0.79SS**  -129.8144.6124.334.7-25000112.7
355S27.7Very low34.7Very low97 Ų97139.4 Ų139.468%0.67879%0.789SS**  trans-111.4160.1167.3-67.80000110.2
356L29.3Very low34Very low156 Ų156141.2 Ų141.282%0.81779%0.794SS**  trans91.7110.9159.4-84.1163.9000119.6
357M25.3Very low33.3Very low196 Ų196140.3 Ų140.397%0.96679%0.793SS**  -156.3151.7102.5-126.2-165.2177.200113.2
358Y28.9Very low32.3Very low195 Ų195140.8 Ų140.877%0.76579%0.79SS**  trans-106.9137.6-166.9-167.2-91.6000109.7
359R24.4Very low31.4Very low246 Ų246140.8 Ų140.893%0.92879%0.79SS**  trans-158.5128.2151.8-154152.4-172.81380.5113.2
360S26.7Very low31.9Very low90 Ų90139.6 Ų139.663%0.62978%0.784SS**  trans-133.4178.7167.5-73.80000106.7
361P55.3Low32.1Very low118 Ų118139.5 Ų139.577%0.76678%0.781SS**  cis-129.2-142.4-34.632.4-7.9000108.1
362P45.2Very low31.5Very low122 Ų122135.9 Ų135.979%0.79278%0.776SS**  cis-142.2173.7-7.338.3-16.6000118.3
363G26.5Very low31.4Very low72 Ų72138.1 Ų138.174%0.74278%0.781SS**  117.7115.2127.700000122
364A27.6Very low31Very low98 Ų98139.2 Ų139.281%0.8179%0.785SS**  trans80117.9132.300000124.3
365E27.2Very low30.7Very low177 Ų177140.3 Ų140.383%0.82778%0.784SS**  71.5125.2128.3-60.9-159.113900124.9
366E25.9Very low31.1Very low165 Ų165143.8 Ų143.877%0.77179%0.789SS**  trans64.6132136.3-119179.9158.600124.4
367L26.1Very low31.4Very low125 Ų125140.7 Ų140.765%0.65479%0.786SS**  trans101.7126.5133.3-14869.2000121.1
368Q25.7Very low31.9Very low175 Ų175137.7 Ų137.782%0.81878%0.778SS**  trans83.4143145.9-89.6160.229.400123.3
369N24.1Very low32.5Very low152 Ų152134.2 Ų134.281%0.81377%0.772SS**  trans-99.3-173-177.7-147.323.2000109.3
370P46.8Very low33.2Very low104 Ų104127.4 Ų127.468%0.67576%0.76SS**  -103.7-167.5-111.645.7-29.8000113.5
371P40.8Very low33.9Very low120 Ų120131.6 Ų131.678%0.77977%0.77SS**  -155159.569.938.9-15.6000119.6
372A25.8Very low33Very low95 Ų95133.1 Ų133.179%0.78577%0.771SS**  trans59.2119.4135.600000124.7
373S28.2Very low32.7Very low114 Ų114133.7 Ų133.780%0.79777%0.766SS**  -177.3111.8118.231.10000108.2
374Q29.2Very low33.5Very low180 Ų180137.7 Ų137.784%0.84177%0.77SS**  40.8112.895.4-69.8178.623.500111.1
375D29Very low34.1Very low150 Ų150136.6 Ų136.680%0.80277%0.768SS**  cis-165.6179.347.8-110.4-33.1000110
376E35.1Very low34.9Very low170 Ų170132 Ų13279%0.79476%0.76SS**  trans85.287.5166.6-76.5-95.9100.800118.2
377A36.2Very low35.5Very low91 Ų91131 Ų13175%0.75276%0.759SS**  trans179.950.4134.400000112
378V35.6Very low36.2Very low132 Ų132130.3 Ų130.380%0.876%0.763SS**  trans-109.678.5167.2-175.90000107.8
379L40.3Very low37Very low122 Ų122127.1 Ų127.164%0.63977%0.766SS**  trans-139.5-8.2176.3-108.7171.1000117.1
380P40.3Very low37.7Very low103 Ų103122.8 Ų122.867%0.66976%0.757SS**SBendtrans-89-21.4173.3-1531.4000115.8
381E41.5Very low37.6Very low179 Ų179123 Ų12384%0.83676%0.761SS**SBendtrans-87.1-21.7-169.9-74-158.3146.400114.9
382L35.8Very low38.1Very low150 Ų150122.2 Ų122.279%0.78575%0.75SS**SBendtrans-83.6-13.9-178.9-111.7160.5000114
383L39.6Very low39Very low134 Ų134123.9 Ų123.970%0.70275%0.745SS**SBendtrans-91.9-14.3180-82.6168.8000114.1
384L42.2Very low40Very low156 Ų156124.2 Ų124.282%0.81774%0.743SS**SBendtrans-88.8-11.7178.3-118.173.1000113.7
385G39.9Very low41.1Very low75 Ų75119.1 Ų119.177%0.77373%0.727SS**SBendtrans-96.2-1.1-175.600000116
386A43.8Very low42.6Very low80 Ų80116.4 Ų116.466%0.66171%0.712SS**  trans-123.738.2-169.500000114.4P388A386-P388 WeakPolarHBondContact O-CD 3.44Å
387L40.1Very low43.9Very low143 Ų143113.1 Ų113.175%0.74970%0.7SS**  trans-97.7111.3170.8-88.2159.5000110.5
388P40.4Very low45Very low112 Ų112111.9 Ų111.973%0.72769%0.689SS**  trans-72.6142.4163.129.9-28.3000109.4A386A386-P388 WeakPolarHBondContact O-CD 3.44Å
389A42.5Very low46.3Very low107 Ų107108.6 Ų108.688%0.88467%0.672SS**SBendtrans-58.5139.3174.900000111.6
390G38.2Very low47.6Very low61 Ų61108.4 Ų108.463%0.62967%0.671SS**SBendtrans112.1104.8158.900000115.4
391S46Very low49.1Very low108 Ų108107.6 Ų107.676%0.75567%0.665SS**SBendtrans60.1147.3161.558.80000117.4
392N49.9Very low50.3Low104 Ų104101.6 Ų101.656%0.55664%0.642SS**  trans92.435.3172.2-33.2-37.4000117.5T394 N396N392-T394 PolarHBondContact O-N 3.33Å; N392-N396 PolarHBondContact O-ND2 3.47Å
393L45.6Very low51.7Low130 Ų130100.4 Ų100.468%0.68163%0.633SS**Hα-helixtrans-68.3-31.3179-159.285.7000113.6
394T48.4Very low53.1Low122 Ų12296.2 Ų96.275%0.74862%0.622SS**Hα-helixtrans-84.1-37.7-170.646.60000114.1N392 A398N392-T394 PolarHBondContact O-N 3.33Å; T394-A398 PolarHBondContact O-N 2.99Å
395S53.7Low54.1Low72 Ų7295.1 Ų95.150%0.50361%0.614SS.*Hα-helixtrans-73.4-36.5-177.653.60000112.9S399S395-S399 PolarHBondContact O-N 2.8Å
396N59.7Low55.3Low93 Ų9396.3 Ų96.350%0.49760%0.602SS.*Hα-helixtrans-76.2-31.4-178.8-67.4-57.4000112.6N392 S399 L400N392-N396 PolarHBondContact O-ND2 3.47Å; N396-S399 PolarHBondContact O-N 2.9Å; N396-L400 WeakPolarHBondContact O-CB 3.42Å; N396-L400 WeakPolarHBondContact O-CG 3.37Å; N396-L400 PolarHBondContact O-N 3.48Å
397L62.1Low56Low101 Ų10199.2 Ų99.253%0.52960%0.601SS.*Hα-helixtrans-70.3-40.5176.6-127.1164.4000111.6S399 L400 V401L397-S399 VanDerWaalsContact C-N 3.34Å; L397-L400 PolarHBondContact O-N 2.87Å; L397-V401 HydrophobicContact CD2-CG2 3.93Å; L397-V401 WeakPolarHBondContact O-CB 3.49Å; L397-V401 VanDerWaalsContact O-CG2 3.26Å; L397-V401 WeakPolarHBondContact O-CG2 3.41Å; L397-V401 PolarHBondContact O-N 2.8Å
398A60.4Low56.8Low65 Ų6598.7 Ų98.754%0.53760%0.599SS.*Hα-helixtrans-63.5-40.5174.200000111.9T394 S402T394-A398 PolarHBondContact O-N 2.99Å; A398-S402 VanDerWaalsContact O-CB 3.29Å; A398-S402 WeakPolarHBondContact O-CB 3.36Å; A398-S402 PolarHBondContact O-N 2.86Å; A398-S402 PolarHBondContact O-OG 3.4Å
399S61Low57.3Low63 Ų6396.7 Ų96.744%0.44159%0.592SS.*Hα-helixtrans-63.3-47.7175-171.20000111.7S395 N396 L397 V401 S402 Q403S395-S399 PolarHBondContact O-N 2.8Å; N396-S399 PolarHBondContact O-N 2.9Å; L397-S399 VanDerWaalsContact C-N 3.34Å; S399-V401 PolarHBondContact O-N 3.37Å; S399-S402 PolarHBondContact O-N 3.43Å; S399-S402 PolarHBondContact O-OG 3.36Å; S399-Q403 WeakPolarHBondContact O-CB 3.19Å; S399-Q403 PolarHBondContact O-N 2.83Å
400L69.4Low57.8Low118 Ų11897.4 Ų97.462%0.61858%0.58SS**Hα-helixtrans-64.1-40.8179.2-83.7160.8000113.3N396 L397 Q403 G404N396-L400 WeakPolarHBondContact O-CB 3.42Å; N396-L400 WeakPolarHBondContact O-CG 3.37Å; N396-L400 PolarHBondContact O-N 3.48Å; L397-L400 PolarHBondContact O-N 2.87Å; L400-Q403 PolarHBondContact O-N 3.13Å; L400-G404 PolarHBondContact O-N 2.83Å
401V71.1Confident58.5Low87 Ų8798.1 Ų98.153%0.52758%0.575SS.*Hα-helixtrans-68.3-40.3176.1173.40000110.6L397 S399 Q403 G404 M405L397-V401 HydrophobicContact CD2-CG2 3.93Å; L397-V401 WeakPolarHBondContact O-CB 3.49Å; L397-V401 VanDerWaalsContact O-CG2 3.26Å; L397-V401 WeakPolarHBondContact O-CG2 3.41Å; L397-V401 PolarHBondContact O-N 2.8Å; S399-V401 PolarHBondContact O-N 3.37Å; V401-Q403 PolarHBondContact O-N 2.9Å; V401-G404 PolarHBondContact O-N 3.1Å; V401-M405 WeakPolarHBondContact O-CB 3.34Å; V401-M405 PolarHBondContact O-N 3.12Å
402S67.4Low58.5Low52 Ų5296.3 Ų96.336%0.36457%0.574SS.*Hα-helixtrans-64.3-40.817674.30000112A398 S399 M405 I406A398-S402 VanDerWaalsContact O-CB 3.29Å; A398-S402 WeakPolarHBondContact O-CB 3.36Å; A398-S402 PolarHBondContact O-N 2.86Å; A398-S402 PolarHBondContact O-OG 3.4Å; S399-S402 PolarHBondContact O-N 3.43Å; S399-S402 PolarHBondContact O-OG 3.36Å; S402-M405 PolarHBondContact O-N 3.36Å; S402-I406 WeakPolarHBondContact O-CB 3.34Å; S402-I406 VanDerWaalsContact O-CD1 3.27Å; S402-I406 WeakPolarHBondContact O-CD1 3.39Å; S402-I406 WeakPolarHBondContact O-CG1 3.15Å; S402-I406 PolarHBondContact O-N 3.33Å
403Q64.9Low58.3Low126 Ų12695.4 Ų95.459%0.58958%0.58SS**Hα-helixtrans-71.6-36.9-179.2-160.9171.31.300112S399 L400 V401 H407S399-Q403 WeakPolarHBondContact O-CB 3.19Å; S399-Q403 PolarHBondContact O-N 2.83Å; L400-Q403 PolarHBondContact O-N 3.13Å; V401-Q403 PolarHBondContact O-N 2.9Å; Q403-H407 WeakPolarHBondContact O-CB 3.44Å; Q403-H407 PolarHBondContact O-N 2.73Å
404G68.9Low58Low46 Ų4693.9 Ų93.947%0.47458%0.581SS.*Hα-helixtrans-65.3-38.917200000112.9L400 V401 H407 L408L400-G404 PolarHBondContact O-N 2.83Å; V401-G404 PolarHBondContact O-N 3.1Å; G404-H407 PolarHBondContact O-N 2.98Å; G404-L408 WeakPolarHBondContact O-CB 3.4Å; G404-L408 PolarHBondContact O-N 3.5Å; G404-L408 VanDerWaalsContact O-N 3.09Å
405M62.8Low57.6Low133 Ų13397 Ų9766%0.65559%0.587SS**Hα-helixtrans-73.1-33.1178.4-15816369.800112.4V401 S402 A409V401-M405 WeakPolarHBondContact O-CB 3.34Å; V401-M405 PolarHBondContact O-N 3.12Å; S402-M405 PolarHBondContact O-N 3.36Å; M405-A409 WeakPolarHBondContact O-CB 3.48Å; M405-A409 PolarHBondContact O-N 3.49Å
406I66Low56.9Low100 Ų10099.6 Ų99.651%0.51360%0.602SS.*Hα-helixtrans-69.2-39173.6-67160.2000111S402 A409 L410S402-I406 WeakPolarHBondContact O-CB 3.34Å; S402-I406 VanDerWaalsContact O-CD1 3.27Å; S402-I406 WeakPolarHBondContact O-CD1 3.39Å; S402-I406 WeakPolarHBondContact O-CG1 3.15Å; S402-I406 PolarHBondContact O-N 3.33Å; I406-A409 PolarHBondContact O-N 3.45Å; I406-L410 HydrophobicContact CG2-CD1 3.68Å; I406-L410 HydrophobicContact CG2-CG 4.49Å; I406-L410 WeakPolarHBondContact O-CB 3.46Å; I406-L410 WeakPolarHBondContact O-CD1 3.41Å; I406-L410 WeakPolarHBondContact O-CG 3.33Å; I406-L410 PolarHBondContact O-N 3.43Å
407H56.9Low55.5Low141 Ų14198.8 Ų98.865%0.65362%0.615SS**Hα-helixtrans-70.2-33.5178.1-148.7-92.3000112.3Q403 G404 S411Q403-H407 WeakPolarHBondContact O-CB 3.44Å; Q403-H407 PolarHBondContact O-N 2.73Å; G404-H407 PolarHBondContact O-N 2.98Å; H407-S411 WeakPolarHBondContact O-CB 3.45Å; H407-S411 PolarHBondContact O-N 3.49Å; H407-S411 VanDerWaalsContact O-N 3.07Å; H407-S411 PolarHBondContact O-OG 3.35Å
408L56.6Low54.4Low132 Ų13299.7 Ų99.769%0.69163%0.628SS**Hα-helixtrans-72.5-31.8174-156.277000112.5G404 S411 G412G404-L408 WeakPolarHBondContact O-CB 3.4Å; G404-L408 PolarHBondContact O-N 3.5Å; G404-L408 VanDerWaalsContact O-N 3.09Å; L408-S411 WeakPolarHBondContact CA-OG 3.32Å; L408-S411 PolarHBondContact O-OG 3.3Å; L408-G412 PolarHBondContact O-N 2.88Å
409A51.8Low53.1Low70 Ų70102.5 Ų102.558%0.57964%0.643SS**Hα-helixtrans-74.4-33.617300000112.5M405 I406M405-A409 WeakPolarHBondContact O-CB 3.48Å; M405-A409 PolarHBondContact O-N 3.49Å; I406-A409 PolarHBondContact O-N 3.45Å
410L53.6Low51.8Low122 Ų122103 Ų10364%0.63966%0.659SS**Hα-helixtrans-75.2-28.6176.4-78.7160.2000113I406I406-L410 HydrophobicContact CG2-CD1 3.68Å; I406-L410 HydrophobicContact CG2-CG 4.49Å; I406-L410 WeakPolarHBondContact O-CB 3.46Å; I406-L410 WeakPolarHBondContact O-CD1 3.41Å; I406-L410 WeakPolarHBondContact O-CG 3.33Å; I406-L410 PolarHBondContact O-N 3.43Å
411S53.1Low50.7Low75 Ų75103.5 Ų103.552%0.52467%0.669SS.*Hα-helixtrans-82.4-15176.457.60000114.1H407 L408H407-S411 WeakPolarHBondContact O-CB 3.45Å; H407-S411 PolarHBondContact O-N 3.49Å; H407-S411 VanDerWaalsContact O-N 3.07Å; H407-S411 PolarHBondContact O-OG 3.35Å; L408-S411 WeakPolarHBondContact CA-OG 3.32Å; L408-S411 PolarHBondContact O-OG 3.3Å
412G46.3Very low49.7Very low71 Ų71104.8 Ų104.873%0.73268%0.679SS**THydrogen-bonded Turntrans-85.7-2.4175.600000115.6L408L408-G412 PolarHBondContact O-N 2.88Å
413A44.5Very low49.2Very low84 Ų84107.5 Ų107.569%0.69470%0.695SS**SBendtrans-112.717.5-16900000115.6
414S39.6Very low47.5Very low98 Ų98111.6 Ų111.669%0.68571%0.705SS**  trans-122.687.4-179.654.90000113.7
415Q39.3Very low45.7Very low188 Ų188119.6 Ų119.688%0.87972%0.721SS**  trans-134.1123.2154.3-90.5-110.325.800108.9
416P39.5Very low44.1Very low126 Ų126116.7 Ų116.782%0.81872%0.718SS**  trans-96.6133.6-176.935-28.6000112
417G30.2Very low42.4Very low76 Ų76117.6 Ų117.678%0.78473%0.728SS**  trans-122.2132.9166.900000110.4
418P39.9Very low41.1Very low121 Ų121122.4 Ų122.479%0.78674%0.741SS**  trans-96.3156.4-163.336.1-33.9000115.6
419S33.2Very low39.8Very low124 Ų124119.6 Ų119.687%0.86774%0.744SS**  trans89.7118.1142.471.80000121.7
420G33.6Very low38.7Very low74 Ų74125.5 Ų125.576%0.76376%0.757SS**  trans121.8144.3142.400000117.3
421P45Very low37.8Very low127 Ų127126.7 Ų126.783%0.82576%0.763SS**  trans-123.3-160-133.747.4-32.1000114.2
422P51.6Low36.6Very low114 Ų114134.8 Ų134.874%0.7478%0.782SS**  -127-141.9-112.436.1-10.5000112.3
423P55.8Low36.1Very low109 Ų109135.5 Ų135.571%0.70878%0.781SS**  -122.6171.1-65.429-10.7000112.7
424R29.9Very low36.2Very low213 Ų213137.3 Ų137.380%0.80479%0.786SS**  trans-174.9116.2140.8-106.5160.3123.8138.1-3.2109.7
425R30.2Very low35.7Very low213 Ų213137.9 Ų137.980%0.80479%0.79SS**  71.3130.997.3-175.5-172.4-100.8177.2-2.4110.6
426A29.2Very low35.3Very low72 Ų72133.4 Ų133.460%0.59578%0.779SS**  cis-173.7178.1-11.100000105.2
427T30.1Very low35Very low119 Ų119134.5 Ų134.573%0.7378%0.778SS**  trans73.8122.7150.247.70000120.9
428R31Very low35.3Very low243 Ų243138.8 Ų138.892%0.91778%0.782SS**  trans51120.5132.4-70.7174.5166.5155-5116
429G27.8Very low35.3Very low73 Ų73139.7 Ų139.775%0.75378%0.781SS**  cis115.7148.75000000108.7
430F29.7Very low35.8Very low193 Ų193140.1 Ų140.185%0.84678%0.778SS**  trans89.7112.3165.6-123.5-100.9000119.8
431L34.4Very low36.3Very low147 Ų147143.1 Ų143.177%0.7778%0.777SS**  trans11.2131.7144.2-70.6156000119.5
432R28.3Very low36.7Very low245 Ų245141.6 Ų141.693%0.92578%0.775SS**  155118.5119-169.9165.7-148.8157.43.2110.6
433A34.6Very low36.3Very low86 Ų86144.1 Ų144.171%0.71178%0.777SS**  trans-84.8178.7162.600000109.4
434P47.8Very low35.8Very low122 Ų122142.1 Ų142.179%0.79278%0.776SS**  cis-132.9169.6-16.135.2-17.4000113.2
435S29.6Very low36.8Very low111 Ų111138.1 Ų138.178%0.77677%0.771SS**  trans-172145.3148.160.90000114.5
436S29.9Very low38.2Very low93 Ų93135.5 Ų135.565%0.6577%0.773SS**  trans81.5116.2141.278.60000121.8
437D33.1Very low39.7Very low150 Ų150140.7 Ų140.780%0.80278%0.782SS**  trans74.1108.8130.7-51.5-15.4000119.9
438L36.9Very low41.4Very low166 Ų166143.8 Ų143.887%0.86979%0.788SS**  -159.7110.9126.1-146.786.9000110.6
439D39.9Very low43.1Very low140 Ų140140.4 Ų140.475%0.74979%0.787SS**  trans-67.2142.1164.5-66.9-48.1000110.7
440T43.5Very low45Very low133 Ų133143 Ų14382%0.81678%0.783SS**  trans-160.4123.1135.2-11.80000111.1
441D43.5Very low47.1Very low137 Ų137138.9 Ų138.973%0.73377%0.77SS**  trans-76.3152.2-175.7-46-63.5000112.9
442A52.8Low48.5Very low95 Ų95139.6 Ų139.679%0.78577%0.769SS**  trans-154.8110.9149.600000109.1
443E44.5Very low50.2Low166 Ų166131 Ų13178%0.77675%0.747SS**  trans-35.6130-176.7-86.877.2-178.100117.3
444G45.6Very low51.9Low67 Ų67132.1 Ų132.169%0.69174%0.738SS**  trans-97.6117.114700000109D446G444-D446 PolarHBondContact O-N 3.19Å; G444-D446 VanDerWaalsContact O-N 3.1Å
445D50.1Low52.7Low130 Ų130132.2 Ų132.270%0.69573%0.731SS**  trans-76.885.5169.8-86.5-24.6000109.6F447D445-F447 HydrophobicContact CB-CD2 4.24Å; D445-F447 HydrophobicContact CB-CE2 3.87Å; D445-F447 PolarHBondContact O-N 3.23Å
446D59.8Low54.2Low158 Ų158133.7 Ų133.785%0.84573%0.73SS**  trans-8391.9165.1-75.7-29.8000108.8G444 E448G444-D446 PolarHBondContact O-N 3.19Å; G444-D446 VanDerWaalsContact O-N 3.1Å; D446-E448 PolarHBondContact O-N 2.9Å
447F60.3Low55.8Low180 Ų180137.1 Ų137.179%0.78974%0.736SS**  trans-70.495.7168.5-72.8-85.3000109.7D445 L449D445-F447 HydrophobicContact CB-CD2 4.24Å; D445-F447 HydrophobicContact CB-CE2 3.87Å; D445-F447 PolarHBondContact O-N 3.23Å; F447-L449 PolarHBondContact O-N 3.02Å
448E67Low57.1Low185 Ų185136.8 Ų136.886%0.86473%0.733SS**  trans-72113.1169.7-139170-161.500108.9D446 L450D446-E448 PolarHBondContact O-N 2.9Å; E448-L450 PolarHBondContact O-N 3.03Å; E448-L450 VanDerWaalsContact O-N 3.16Å
449L65.9Low58.1Low172 Ų172135 Ų13590%0.90172%0.724SS**  trans-65.8111.1176.9-73.7165.6000109.3F447 D451F447-L449 PolarHBondContact O-N 3.02Å; L449-D451 PolarHBondContact O-N 3.41Å
450L67.3Low58.9Low127 Ų127134 Ų13467%0.66573%0.725SS**  trans-59.8126.9173.2-73164.1000110.4E448 E454E448-L450 PolarHBondContact O-N 3.03Å; E448-L450 VanDerWaalsContact O-N 3.16Å; L450-E454 VanDerWaalsContact CD2-OE2 3.23Å; L450-E454 WeakPolarHBondContact CD2-OE2 3.5Å
451D73.7Confident59.5Low106 Ų106131.9 Ų131.957%0.56772%0.722SS**  trans-67.6141.8177-17427000110.4L449 S453 E454L449-D451 PolarHBondContact O-N 3.41Å; D451-S453 PolarHBondContact O-N 3.09Å; D451-S453 PolarHBondContact OD2-OG 3.4Å; D451-E454 PolarHBondContact O-N 3.18Å
452Q63.3Low59.9Low162 Ų162130.8 Ų130.876%0.75773%0.725SS**Hα-helixtrans-61.4-15.1-174.6-70.6-171.9-0.100113.4
453S64.5Low59.6Low65 Ų65131.5 Ų131.546%0.45572%0.724SS.*Hα-helixtrans-72.4-27.2174.863.80000113.5D451D451-S453 PolarHBondContact O-N 3.09Å; D451-S453 PolarHBondContact OD2-OG 3.4Å
454E69.8Low59.7Low110 Ų110135.4 Ų135.451%0.51473%0.732SS.*Hα-helixtrans-83.7-32.5176.9-64.2-168.416200112L450 D451 N456 Q457L450-E454 VanDerWaalsContact CD2-OE2 3.23Å; L450-E454 WeakPolarHBondContact CD2-OE2 3.5Å; D451-E454 PolarHBondContact O-N 3.18Å; E454-N456 VanDerWaalsContact C-N 3.27Å; E454-N456 PolarHBondContact O-N 3.19Å; E454-Q457 PolarHBondContact O-N 3.37Å
455L66.6Low59.5Low123 Ų123136.8 Ų136.864%0.64473%0.731SS**Hα-helixtrans-64-33.6175.8-143.588.8000112.1Q457 L458L455-Q457 VanDerWaalsContact C-N 3.29Å; L455-Q457 PolarHBondContact O-N 3.48Å; L455-L458 PolarHBondContact O-N 3.06Å
456N60.4Low59Low142 Ų142143 Ų14376%0.75976%0.756SS**THydrogen-bonded Turntrans-76.1-10178.8-100.1-27.2000114.2E454E454-N456 VanDerWaalsContact C-N 3.27Å; E454-N456 PolarHBondContact O-N 3.19Å
457Q63.4Low59Low165 Ų165142.3 Ų142.377%0.77175%0.751SS**THydrogen-bonded Turntrans-88.5-10.8175.2-81.3-179.351.600113.5E454 L455E454-Q457 PolarHBondContact O-N 3.37Å; L455-Q457 VanDerWaalsContact C-N 3.29Å; L455-Q457 PolarHBondContact O-N 3.48Å
458L60.5Low58.9Low144 Ų144140.3 Ų140.375%0.75475%0.749SS**SBendtrans-94.45.9-175.7-81.4166.3000115L455 P460L455-L458 PolarHBondContact O-N 3.06Å; L458-P460 WeakPolarHBondContact O-CD 3.5Å
459D57.3Low58.5Low127 Ų127137.8 Ų137.868%0.67974%0.743SS**  trans-109.178.4176.6-1521.1000112.9
460P57.6Low58Low119 Ų119135.8 Ų135.877%0.77373%0.733SS**  trans-102.650170.240.7-33.7000111.1L458L458-P460 WeakPolarHBondContact O-CD 3.5Å
461A56.3Low57.4Low90 Ų90136.4 Ų136.474%0.74474%0.738SS**  trans-163.360.5169.500000114.8
462S51.2Low56.4Low114 Ų114138.4 Ų138.480%0.79775%0.749SS**  trans-13768.5155.6-168.20000111.5
463S46.6Very low55.9Low110 Ų110136.7 Ų136.777%0.76975%0.748SS**  trans-153.213114968.20000110.7
464R46.4Very low55.2Low247 Ų247142.2 Ų142.293%0.93277%0.771SS**  trans84.1120.8-177.8-66177.6170.8155.7-1114
465S40.8Very low54Low97 Ų97144.9 Ų144.968%0.67879%0.792SS**  cis-170.2154.228.552.70000112.7
466H40.8Very low52.8Low261 Ų261146.9 Ų146.9100%1.20881%0.806SS**  trans87.90160.5-74.2-71.6000119.9

Retrieved 466 of 466 residues in 153.6 ms (Link to these results)