A0A5K4EL70_SCHMA Loading...

Huntington associated protein-1 domain,putative

AlphaFold DB , UniProt , Accession A0A5K4EL70, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 957 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
1M39Very low53.9Low252 Ų252138 Ų138100%1.24177%0.773SS**  026.80-70.3-65.6-93.700112.2
2G38.2Very low54.9Low61 Ų61133.8 Ų133.863%0.62974%0.742SS**  trans168.5-160.3-174.600000113
3T53Low56.1Low139 Ų139132.2 Ų132.285%0.85373%0.73SS**  trans66.4123-168.159.60000114.4
4P47.5Very low57.1Low121 Ų121132.2 Ų132.279%0.78672%0.722SS**PPolyproline II helixtrans-78.9151.4-177.333.8-35000111.4E6P4-E6 PolarHBondContact O-N 3.23Å
5V52.4Low58.2Low138 Ų138127.8 Ų127.884%0.83671%0.71SS**PPolyproline II helixtrans-76.8119175.31790000108.9
6E60Low59.2Low173 Ų173126.9 Ų126.981%0.80871%0.709SS**PPolyproline II helixtrans-68.4147.1175-61.9-167.5153.600111P4 L8P4-E6 PolarHBondContact O-N 3.23Å; E6-L8 PolarHBondContact O-N 3.02Å
7F52.3Low60Low204 Ų204126.1 Ų126.190%0.89570%0.702SS**  trans-69.1102.7177-82.7-100.1000109.9T9F7-T9 PolarHBondContact O-N 3.47Å
8L58.4Low60.8Low120 Ų120123.1 Ų123.163%0.62869%0.69SS**  trans-54.9132.2165.5-70.4167.4000109.3E6 E12E6-L8 PolarHBondContact O-N 3.02Å; L8-E12 WeakPolarHBondContact CA-OE2 3.42Å; L8-E12 HydrophobicContact CB-CB 4.34Å; L8-E12 HydrophobicContact CD2-CB 4.2Å; L8-E12 VanDerWaalsContact CD2-CD 3.49Å; L8-E12 HydrophobicContact CD2-CG 4.37Å; L8-E12 WeakPolarHBondContact CD2-OE1 3.46Å
9T66.1Low61.6Low69 Ų69118.7 Ų118.742%0.42368%0.676SS.*  trans-73.8158.7-17862.70000111F7 L11 E12F7-T9 PolarHBondContact O-N 3.47Å; T9-L11 PolarHBondContact O-N 2.82Å; T9-E12 PolarHBondContact N-OE2 2.98Å; T9-E12 PolarHBondContact O-N 3.08Å; T9-E12 PolarHBondContact OG1-OE2 3.14Å
10P62.7Low62.3Low109 Ų109119.3 Ų119.371%0.70868%0.676SS**Hα-helixtrans-54.2-26.8179.6-29.336.6000115.2
11L63.6Low63Low132 Ų132122.5 Ų122.569%0.69168%0.677SS**Hα-helixtrans-65.7-33.3175.7-83.3103.1000113.5T9 I13 E14 A15T9-L11 PolarHBondContact O-N 2.82Å; L11-I13 VanDerWaalsContact C-N 3.34Å; L11-E14 PolarHBondContact O-N 3.45Å; L11-A15 PolarHBondContact O-N 3.1Å; L11-A15 VanDerWaalsContact O-N 3.15Å
12E66.2Low64.7Low87 Ų87115.3 Ų115.341%0.40765%0.647SS.*Hα-helixtrans-75.3-28.2-174.6-70.5161.7115.100111.6L8 T9 V16L8-E12 WeakPolarHBondContact CA-OE2 3.42Å; L8-E12 HydrophobicContact CB-CB 4.34Å; L8-E12 HydrophobicContact CD2-CB 4.2Å; L8-E12 VanDerWaalsContact CD2-CD 3.49Å; L8-E12 HydrophobicContact CD2-CG 4.37Å; L8-E12 WeakPolarHBondContact CD2-OE1 3.46Å; T9-E12 PolarHBondContact N-OE2 2.98Å; T9-E12 PolarHBondContact O-N 3.08Å; T9-E12 PolarHBondContact OG1-OE2 3.14Å; E12-V16 WeakPolarHBondContact O-CG2 3.33Å; E12-V16 PolarHBondContact O-N 2.89Å
13I70.5Confident66.4Low114 Ų114116.2 Ų116.259%0.58564%0.644SS**Hα-helixtrans-68.3-41.7171.7-60.2173.7000110.5L11 A15 V16 L17L11-I13 VanDerWaalsContact C-N 3.34Å; I13-A15 PolarHBondContact O-N 3.35Å; I13-V16 PolarHBondContact O-N 3.5Å; I13-L17 PolarHBondContact O-N 2.99Å
14E69.4Low67.2Low132 Ų132116.4 Ų116.462%0.61764%0.635SS**Hα-helixtrans-66.5-37-179.6-166.8168.9-150.700112L11 L17 C18L11-E14 PolarHBondContact O-N 3.45Å; E14-L17 PolarHBondContact O-N 2.86Å; E14-C18 WeakPolarHBondContact O-CB 3.33Å; E14-C18 PolarHBondContact O-N 3.09Å; E14-C18 PolarHBondContact O-SG 3Å
15A73.8Confident67.9Low66 Ų66116.3 Ų116.355%0.54563%0.626SS.*Hα-helixtrans-62.6-44.5174.600000112.8L11 I13 C18 G19L11-A15 PolarHBondContact O-N 3.1Å; L11-A15 VanDerWaalsContact O-N 3.15Å; I13-A15 PolarHBondContact O-N 3.35Å; A15-C18 PolarHBondContact O-N 2.69Å; A15-G19 PolarHBondContact O-N 3.25Å; A15-G19 VanDerWaalsContact O-N 3.09Å
16V74Confident68.6Low113 Ų113112.3 Ų112.369%0.68561%0.607SS**Hα-helixtrans-65.9-40.1177.3175.40000111.2E12 I13 C18 G19 L20E12-V16 WeakPolarHBondContact O-CG2 3.33Å; E12-V16 PolarHBondContact O-N 2.89Å; I13-V16 PolarHBondContact O-N 3.5Å; V16-C18 VanDerWaalsContact C-N 3.33Å; V16-C18 PolarHBondContact O-N 3.25Å; V16-G19 PolarHBondContact O-N 2.83Å; V16-L20 PolarHBondContact O-N 3.45Å
17L73.7Confident68.7Low114 Ų114110.2 Ų110.260%0.59760%0.597SS**Hα-helixtrans-65.3-36.8177.3-148.881.5000112.2I13 E14 R21I13-L17 PolarHBondContact O-N 2.99Å; E14-L17 PolarHBondContact O-N 2.86Å; L17-R21 PolarHBondContact O-N 3.4Å
18C73.5Confident69.2Low71 Ų71105 Ų10548%0.4858%0.582SS.*Hα-helixtrans-64.9-43.5173.9-70.70000112.2E14 A15 V16 L20 R21 V22E14-C18 WeakPolarHBondContact O-CB 3.33Å; E14-C18 PolarHBondContact O-N 3.09Å; E14-C18 PolarHBondContact O-SG 3Å; A15-C18 PolarHBondContact O-N 2.69Å; V16-C18 VanDerWaalsContact C-N 3.33Å; V16-C18 PolarHBondContact O-N 3.25Å; C18-L20 VanDerWaalsContact C-N 3.35Å; C18-L20 PolarHBondContact O-N 3.1Å; C18-R21 PolarHBondContact O-N 3.08Å; C18-V22 WeakPolarHBondContact O-CG2 3.4Å; C18-V22 PolarHBondContact O-N 3.34Å; C18-V22 VanDerWaalsContact O-N 3.15Å
19G76.1Confident69.2Low41 Ų41106.9 Ų106.942%0.42358%0.582SS.*Hα-helixtrans-58.9-43.3177.500000113A15 V16 R21 V22 S23A15-G19 PolarHBondContact O-N 3.25Å; A15-G19 VanDerWaalsContact O-N 3.09Å; V16-G19 PolarHBondContact O-N 2.83Å; G19-R21 PolarHBondContact O-N 2.85Å; G19-V22 PolarHBondContact O-N 2.8Å; G19-S23 PolarHBondContact O-N 2.91Å; G19-S23 VanDerWaalsContact O-N 3.13Å
20L76.1Confident69.1Low129 Ų129110.8 Ų110.868%0.67560%0.595SS**Hα-helixtrans-65.8-39.1-179.8-157.775000112.5V16 C18 S23 Q24V16-L20 PolarHBondContact O-N 3.45Å; C18-L20 VanDerWaalsContact C-N 3.35Å; C18-L20 PolarHBondContact O-N 3.1Å; L20-S23 PolarHBondContact O-N 2.99Å; L20-Q24 WeakPolarHBondContact O-CB 3.45Å; L20-Q24 PolarHBondContact O-N 2.79Å; L20-Q24 VanDerWaalsContact O-N 3.08Å
21R76.7Confident69.9Low188 Ų188111.3 Ų111.371%0.70959%0.592SS**Hα-helixtrans-63.6-39.2174.4-75.6178.971-177.72.5112.2L17 C18 G19 Q24 M25L17-R21 PolarHBondContact O-N 3.4Å; C18-R21 PolarHBondContact O-N 3.08Å; G19-R21 PolarHBondContact O-N 2.85Å; R21-Q24 PolarHBondContact O-N 3.15Å; R21-M25 VanDerWaalsContact O-CB 3.24Å; R21-M25 WeakPolarHBondContact O-CB 3.45Å; R21-M25 PolarHBondContact O-N 3.42Å
22V74.4Confident70.6Confident100 Ų100110.5 Ų110.561%0.60659%0.588SS**Hα-helixtrans-66.9-43.2178.9173.90000111.3C18 G19 Q24 M25 A26C18-V22 WeakPolarHBondContact O-CG2 3.4Å; C18-V22 PolarHBondContact O-N 3.34Å; C18-V22 VanDerWaalsContact O-N 3.15Å; G19-V22 PolarHBondContact O-N 2.8Å; V22-Q24 PolarHBondContact O-N 3.14Å; V22-M25 PolarHBondContact O-N 2.84Å; V22-A26 WeakPolarHBondContact O-CB 3.3Å; V22-A26 PolarHBondContact O-N 2.97Å
23S73.1Confident71.5Confident80 Ų80112.7 Ų112.756%0.55960%0.602SS**Hα-helixtrans-61.6-42.2173.6-93.70000112.6G19 L20 M25 A26 Q27G19-S23 PolarHBondContact O-N 2.91Å; G19-S23 VanDerWaalsContact O-N 3.13Å; L20-S23 PolarHBondContact O-N 2.99Å; S23-M25 VanDerWaalsContact C-N 3.33Å; S23-M25 PolarHBondContact O-N 2.79Å; S23-A26 WeakPolarHBondContact O-CB 3.49Å; S23-A26 PolarHBondContact O-N 3.2Å; S23-Q27 PolarHBondContact O-N 3.39Å
24Q70.5Confident72.2Confident144 Ų144109.9 Ų109.967%0.67360%0.596SS**Hα-helixtrans-68.2-34.5178.9-164.2169.845.200112.3L20 R21 V22 Q27 T28L20-Q24 WeakPolarHBondContact O-CB 3.45Å; L20-Q24 PolarHBondContact O-N 2.79Å; L20-Q24 VanDerWaalsContact O-N 3.08Å; R21-Q24 PolarHBondContact O-N 3.15Å; V22-Q24 PolarHBondContact O-N 3.14Å; Q24-Q27 PolarHBondContact O-N 2.74Å; Q24-T28 PolarHBondContact O-N 3.4Å
25M61.8Low72.9Confident119 Ų119106.9 Ų106.959%0.58658%0.584SS**Hα-helixtrans-72.3-30173.8-165.4171.3-176.300112.3R21 V22 S23 T28 Y29R21-M25 VanDerWaalsContact O-CB 3.24Å; R21-M25 WeakPolarHBondContact O-CB 3.45Å; R21-M25 PolarHBondContact O-N 3.42Å; V22-M25 PolarHBondContact O-N 2.84Å; S23-M25 VanDerWaalsContact C-N 3.33Å; S23-M25 PolarHBondContact O-N 2.79Å; M25-T28 PolarHBondContact O-OG1 3.29Å; M25-Y29 HydrophobicContact CG-CE2 4.43Å; M25-Y29 WeakPolarHBondContact O-CD2 3.17Å; M25-Y29 VanDerWaalsContact O-CE2 3.22Å; M25-Y29 WeakPolarHBondContact O-CE2 3.28Å
26A67.2Low73.5Confident54 Ų54107.1 Ų107.145%0.44658%0.578SS.*Hα-helixtrans-68.5-42.417000000111.6V22 S23 T28 Y29V22-A26 WeakPolarHBondContact O-CB 3.3Å; V22-A26 PolarHBondContact O-N 2.97Å; S23-A26 WeakPolarHBondContact O-CB 3.49Å; S23-A26 PolarHBondContact O-N 3.2Å; A26-T28 PolarHBondContact O-N 3.26Å; A26-Y29 PolarHBondContact O-N 3.47Å
27Q62.5Low74.2Confident129 Ų129108.5 Ų108.560%0.60358%0.577SS**Hα-helixtrans-57.6-33.7178.5-155.981.858.200112.5S23 Q24 Y29 E30S23-Q27 PolarHBondContact O-N 3.39Å; Q24-Q27 PolarHBondContact O-N 2.74Å; Q27-Y29 PolarHBondContact O-N 2.88Å; Q27-E30 PolarHBondContact O-N 2.91Å
28T62.5Low74.9Confident93 Ų93107.8 Ų107.857%0.57157%0.574SS**THydrogen-bonded Turntrans-71.7-5.6177.247.40000115.1Q24 M25 A26Q24-T28 PolarHBondContact O-N 3.4Å; M25-T28 PolarHBondContact O-OG1 3.29Å; A26-T28 PolarHBondContact O-N 3.26Å
29Y59.6Low75.8Confident161 Ų161109.8 Ų109.863%0.63158%0.579SS**THydrogen-bonded Turntrans-97.1-9.3175.6-69.6-73.8000114.3M25 A26 Q27M25-Y29 HydrophobicContact CG-CE2 4.43Å; M25-Y29 WeakPolarHBondContact O-CD2 3.17Å; M25-Y29 VanDerWaalsContact O-CE2 3.22Å; M25-Y29 WeakPolarHBondContact O-CE2 3.28Å; A26-Y29 PolarHBondContact O-N 3.47Å; Q27-Y29 PolarHBondContact O-N 2.88Å
30E64.1Low76.5Confident151 Ų151114.5 Ų114.571%0.70659%0.59SS**SBendtrans-82.8-25.4-175.5-62.6-155.5153.100113.9Q27 L32Q27-E30 PolarHBondContact O-N 2.91Å; E30-L32 VanDerWaalsContact C-N 3.25Å; E30-L32 PolarHBondContact O-N 2.65Å
31D79.5Confident77.3Confident119 Ų119113.3 Ų113.364%0.63658%0.581SS**  trans-83.759.3175.6-71.8-31.8000112.3D33 A34 I35D31-D33 VanDerWaalsContact C-N 3.26Å; D31-D33 PolarHBondContact O-N 3.49Å; D31-A34 HydrophobicContact CB-CB 3.99Å; D31-A34 PolarHBondContact O-N 2.95Å; D31-A34 VanDerWaalsContact O-N 3.11Å; D31-I35 PolarHBondContact O-N 3.31Å
32L78.1Confident78.1Confident115 Ų115108.9 Ų108.960%0.60257%0.567SS**Hα-helixtrans-55.1-40.1-178.3-173.668.4000112.7E30 A34 I35 T36E30-L32 VanDerWaalsContact C-N 3.25Å; E30-L32 PolarHBondContact O-N 2.65Å; L32-A34 VanDerWaalsContact C-N 3.34Å; L32-A34 PolarHBondContact O-N 3.35Å; L32-I35 PolarHBondContact O-N 2.84Å; L32-T36 PolarHBondContact O-N 3.29Å; L32-T36 PolarHBondContact O-OG1 2.86Å
33D84.4Confident79Confident133 Ų133108.8 Ų108.871%0.71156%0.56SS**Hα-helixtrans-68.8-29.8-179.6-67.7-31.6000113.1D31 T36 Q37D31-D33 VanDerWaalsContact C-N 3.26Å; D31-D33 PolarHBondContact O-N 3.49Å; D33-T36 WeakPolarHBondContact CA-OG1 3.48Å; D33-T36 PolarHBondContact O-OG1 3.43Å; D33-Q37 WeakPolarHBondContact O-CB 3.3Å; D33-Q37 PolarHBondContact O-N 3Å; D33-Q37 VanDerWaalsContact O-N 3.09Å
34A84.2Confident80Confident56 Ų56108.7 Ų108.746%0.46356%0.556SS.*Hα-helixtrans-71.9-36.9173.600000111.1D31 L32 L38D31-A34 HydrophobicContact CB-CB 3.99Å; D31-A34 PolarHBondContact O-N 2.95Å; D31-A34 VanDerWaalsContact O-N 3.11Å; L32-A34 VanDerWaalsContact C-N 3.34Å; L32-A34 PolarHBondContact O-N 3.35Å; A34-L38 VanDerWaalsContact O-CB 3.27Å; A34-L38 WeakPolarHBondContact O-CB 3.35Å; A34-L38 PolarHBondContact O-N 2.95Å
35I86Confident81.2Confident68 Ų68105.3 Ų105.335%0.34954%0.543SS..Hα-helixtrans-67.9-42176.5-63171.7000110.7D31 L32 L38 L39D31-I35 PolarHBondContact O-N 3.31Å; L32-I35 PolarHBondContact O-N 2.84Å; I35-L38 PolarHBondContact O-N 3.16Å; I35-L39 HydrophobicContact CG2-CD1 3.98Å; I35-L39 HydrophobicContact CG2-CG 4.47Å; I35-L39 WeakPolarHBondContact O-CB 3.49Å; I35-L39 VanDerWaalsContact O-CG 3.25Å; I35-L39 WeakPolarHBondContact O-CG 3.45Å; I35-L39 PolarHBondContact O-N 3.15Å
36T85.9Confident82.8Confident71 Ų71105.2 Ų105.244%0.43654%0.544SS..Hα-helixtrans-66.9-43.1177.553.20000112.1L32 D33 L38 L39 E40L32-T36 PolarHBondContact O-N 3.29Å; L32-T36 PolarHBondContact O-OG1 2.86Å; D33-T36 WeakPolarHBondContact CA-OG1 3.48Å; D33-T36 PolarHBondContact O-OG1 3.43Å; T36-L38 PolarHBondContact O-N 2.86Å; T36-L39 PolarHBondContact O-N 3.1Å; T36-E40 PolarHBondContact O-N 2.77Å
37Q88Confident84.2Confident142 Ų142106.6 Ų106.666%0.66454%0.541SS*.Hα-helixtrans-61.8-42175.2-171.4176.72000112D33 L39 E40 E41D33-Q37 WeakPolarHBondContact O-CB 3.3Å; D33-Q37 PolarHBondContact O-N 3Å; D33-Q37 VanDerWaalsContact O-N 3.09Å; Q37-L39 VanDerWaalsContact C-N 3.34Å; Q37-L39 PolarHBondContact O-N 3.37Å; Q37-E40 PolarHBondContact O-N 3.15Å; Q37-E41 PolarHBondContact O-N 3.29Å
38L89.9Confident85.8Confident99 Ų99105 Ų10552%0.51854%0.536SS..Hα-helixtrans-65.3-36.1176.2-174.867.8000112.2A34 I35 T36 K42A34-L38 VanDerWaalsContact O-CB 3.27Å; A34-L38 WeakPolarHBondContact O-CB 3.35Å; A34-L38 PolarHBondContact O-N 2.95Å; I35-L38 PolarHBondContact O-N 3.16Å; T36-L38 PolarHBondContact O-N 2.86Å; L38-K42 WeakPolarHBondContact O-CB 3.39Å; L38-K42 WeakPolarHBondContact O-CG 3.46Å; L38-K42 PolarHBondContact O-N 3.34Å
39L90.7Very high87.4Confident113 Ų113103.5 Ų103.559%0.59253%0.533SS*.Hα-helixtrans-68.4-39.2174.4-76169.3000112.1I35 T36 Q37 K42 Q43I35-L39 HydrophobicContact CG2-CD1 3.98Å; I35-L39 HydrophobicContact CG2-CG 4.47Å; I35-L39 WeakPolarHBondContact O-CB 3.49Å; I35-L39 VanDerWaalsContact O-CG 3.25Å; I35-L39 WeakPolarHBondContact O-CG 3.45Å; I35-L39 PolarHBondContact O-N 3.15Å; T36-L39 PolarHBondContact O-N 3.1Å; Q37-L39 VanDerWaalsContact C-N 3.34Å; Q37-L39 PolarHBondContact O-N 3.37Å; L39-K42 PolarHBondContact O-N 3.13Å; L39-Q43 WeakPolarHBondContact O-CB 3.26Å; L39-Q43 PolarHBondContact O-N 3.42Å
40E91.8Very high89Confident140 Ų14098.9 Ų98.965%0.65453%0.528SS*.Hα-helixtrans-64.4-46.6174.3-171.7174-166.300111.1T36 Q37 K42 Q43 T44T36-E40 PolarHBondContact O-N 2.77Å; Q37-E40 PolarHBondContact O-N 3.15Å; E40-K42 VanDerWaalsContact C-N 3.34Å; E40-K42 PolarHBondContact O-N 2.89Å; E40-Q43 WeakPolarHBondContact O-CB 3.27Å; E40-Q43 PolarHBondContact O-N 2.74Å; E40-Q43 VanDerWaalsContact O-N 3.14Å; E40-T44 WeakPolarHBondContact O-CG2 3.4Å; E40-T44 PolarHBondContact O-N 3.3Å
41E91.8Very high90.6Very high104 Ų10497.8 Ų97.849%0.48652%0.521SS..Hα-helixtrans-56.7-47.5173.6-173.7-176.6-166.100111.1Q37 Q43 T44 D45Q37-E41 PolarHBondContact O-N 3.29Å; E41-Q43 VanDerWaalsContact C-N 3.31Å; E41-Q43 PolarHBondContact O-N 3.41Å; E41-T44 PolarHBondContact O-N 2.79Å; E41-T44 VanDerWaalsContact O-N 3.08Å; E41-T44 PolarHBondContact O-OG1 3.09Å; E41-D45 PolarHBondContact O-N 3.39Å
42K94.1Very high91.3Very high95 Ų9596.3 Ų96.341%0.41351%0.513SS..Hα-helixtrans-64.4-32177.8-71.3-77.1151.6-89.30113.1L38 L39 E40 D45 L46L38-K42 WeakPolarHBondContact O-CB 3.39Å; L38-K42 WeakPolarHBondContact O-CG 3.46Å; L38-K42 PolarHBondContact O-N 3.34Å; L39-K42 PolarHBondContact O-N 3.13Å; E40-K42 VanDerWaalsContact C-N 3.34Å; E40-K42 PolarHBondContact O-N 2.89Å; K42-D45 IonicContact NZ-OD2 2.91Å; K42-D45 PolarHBondContact NZ-OD2 2.74Å; K42-L46 WeakPolarHBondContact O-CB 3.44Å; K42-L46 VanDerWaalsContact O-CG 3.28Å; K42-L46 WeakPolarHBondContact O-CG 3.39Å; K42-L46 PolarHBondContact O-N 3.04Å
43Q93.3Very high92.1Very high99 Ų9992.1 Ų92.146%0.46350%0.497SS..Hα-helixtrans-66.3-42170.9175.758.728.100111.1L39 E40 E41 L46 E47L39-Q43 WeakPolarHBondContact O-CB 3.26Å; L39-Q43 PolarHBondContact O-N 3.42Å; E40-Q43 WeakPolarHBondContact O-CB 3.27Å; E40-Q43 PolarHBondContact O-N 2.74Å; E40-Q43 VanDerWaalsContact O-N 3.14Å; E41-Q43 VanDerWaalsContact C-N 3.31Å; E41-Q43 PolarHBondContact O-N 3.41Å; Q43-L46 PolarHBondContact O-N 3.45Å; Q43-E47 PolarHBondContact NE2-OE1 2.93Å; Q43-E47 PolarHBondContact O-N 2.69Å
44T93.8Very high92.6Very high78 Ų7893.6 Ų93.648%0.47950%0.497SS..Hα-helixtrans-65.7-37.7175.467.70000113E40 E41 E47 L48E40-T44 WeakPolarHBondContact O-CG2 3.4Å; E40-T44 PolarHBondContact O-N 3.3Å; E41-T44 PolarHBondContact O-N 2.79Å; E41-T44 VanDerWaalsContact O-N 3.08Å; E41-T44 PolarHBondContact O-OG1 3.09Å; T44-E47 PolarHBondContact O-N 3.05Å; T44-L48 WeakPolarHBondContact O-CB 3.25Å; T44-L48 PolarHBondContact O-N 3.45Å
45D97.3Very high93.2Very high73 Ų7394.8 Ų94.839%0.3950%0.496SS..Hα-helixtrans-59.8-46.5172.1-86.7-20.5000111.4E41 K42 L48 A49E41-D45 PolarHBondContact O-N 3.39Å; K42-D45 IonicContact NZ-OD2 2.91Å; K42-D45 PolarHBondContact NZ-OD2 2.74Å; D45-L48 PolarHBondContact O-N 3.31Å; D45-A49 WeakPolarHBondContact O-CB 3.31Å; D45-A49 PolarHBondContact O-N 3.45Å
46L95.1Very high93.6Very high116 Ų11696.6 Ų96.661%0.60751%0.506SS*.Hα-helixtrans-63.3-41.5178.4-76.5168.9000111.7K42 Q43 A49 A50K42-L46 WeakPolarHBondContact O-CB 3.44Å; K42-L46 VanDerWaalsContact O-CG 3.28Å; K42-L46 WeakPolarHBondContact O-CG 3.39Å; K42-L46 PolarHBondContact O-N 3.04Å; Q43-L46 PolarHBondContact O-N 3.45Å; L46-A49 PolarHBondContact O-N 2.85Å; L46-A50 WeakPolarHBondContact O-CB 3.41Å; L46-A50 PolarHBondContact O-N 2.84Å
47E95Very high94.1Very high84 Ų8499.3 Ų99.339%0.39352%0.517SS..Hα-helixtrans-65-40.2173.9-77.1-174.4-151.200113Q43 T44 A50 K51Q43-E47 PolarHBondContact NE2-OE1 2.93Å; Q43-E47 PolarHBondContact O-N 2.69Å; T44-E47 PolarHBondContact O-N 3.05Å; E47-A50 PolarHBondContact O-N 2.84Å; E47-K51 WeakPolarHBondContact O-CB 3.15Å; E47-K51 WeakPolarHBondContact O-CD 3.47Å; E47-K51 VanDerWaalsContact O-CG 3.22Å; E47-K51 WeakPolarHBondContact O-CG 3.44Å; E47-K51 PolarHBondContact O-N 3.17Å; E47-K51 IonicContact OE2-NZ 4Å; E47-K51 PolarHBondContact OE2-NZ 2.92Å; E47-K51 VanDerWaalsContact OE2-NZ 3.13Å
48L96.1Very high94.3Very high96 Ų9695.4 Ų95.450%0.50351%0.509SS..Hα-helixtrans-65.4-44.2176-17862000110.7T44 D45 A50 K51 I52T44-L48 WeakPolarHBondContact O-CB 3.25Å; T44-L48 PolarHBondContact O-N 3.45Å; D45-L48 PolarHBondContact O-N 3.31Å; L48-A50 VanDerWaalsContact C-N 3.33Å; L48-A50 PolarHBondContact O-N 3.23Å; L48-K51 PolarHBondContact O-N 2.94Å; L48-I52 HydrophobicContact CD1-CD1 4.09Å; L48-I52 HydrophobicContact CD1-CG1 4.33Å; L48-I52 HydrophobicContact CG-CD1 3.88Å; L48-I52 WeakPolarHBondContact O-CB 3.38Å; L48-I52 VanDerWaalsContact O-CG1 3.3Å; L48-I52 WeakPolarHBondContact O-CG1 3.44Å; L48-I52 PolarHBondContact O-N 3.46Å
49A96.4Very high94.7Very high60 Ų6096.2 Ų96.250%0.49651%0.508SS..Hα-helixtrans-60.1-41.7174.600000111.8D45 L46 I52 G53D45-A49 WeakPolarHBondContact O-CB 3.31Å; D45-A49 PolarHBondContact O-N 3.45Å; L46-A49 PolarHBondContact O-N 2.85Å; A49-I52 PolarHBondContact O-N 3.13Å; A49-G53 PolarHBondContact O-N 2.96Å
50A94.4Very high94.8Very high65 Ų6594.9 Ų94.954%0.53750%0.501SS..Hα-helixtrans-65.3-41.4174.500000112.6L46 E47 L48 G53 K54L46-A50 WeakPolarHBondContact O-CB 3.41Å; L46-A50 PolarHBondContact O-N 2.84Å; E47-A50 PolarHBondContact O-N 2.84Å; L48-A50 VanDerWaalsContact C-N 3.33Å; L48-A50 PolarHBondContact O-N 3.23Å; A50-G53 PolarHBondContact O-N 2.82Å; A50-K54 WeakPolarHBondContact O-CB 3.48Å; A50-K54 PolarHBondContact O-N 2.76Å
51K96.5Very high95Very high127 Ų12794 Ų9455%0.55250%0.497SS*.Hα-helixtrans-64-44.1175.3-73.8160.8-172.8154.60111.5E47 L48 K54 N55E47-K51 WeakPolarHBondContact O-CB 3.15Å; E47-K51 WeakPolarHBondContact O-CD 3.47Å; E47-K51 VanDerWaalsContact O-CG 3.22Å; E47-K51 WeakPolarHBondContact O-CG 3.44Å; E47-K51 PolarHBondContact O-N 3.17Å; E47-K51 IonicContact OE2-NZ 4Å; E47-K51 PolarHBondContact OE2-NZ 2.92Å; E47-K51 VanDerWaalsContact OE2-NZ 3.13Å; L48-K51 PolarHBondContact O-N 2.94Å; K51-K54 PolarHBondContact O-N 3.19Å; K51-N55 WeakPolarHBondContact O-CB 3.4Å; K51-N55 PolarHBondContact O-N 3.48Å
52I94.7Very high95.2Very high89 Ų8993 Ų9346%0.45650%0.495SS..Hα-helixtrans-64.5-45.8175.2-69168.9000110.5L48 A49 K54 N55 L56L48-I52 HydrophobicContact CD1-CD1 4.09Å; L48-I52 HydrophobicContact CD1-CG1 4.33Å; L48-I52 HydrophobicContact CG-CD1 3.88Å; L48-I52 WeakPolarHBondContact O-CB 3.38Å; L48-I52 VanDerWaalsContact O-CG1 3.3Å; L48-I52 WeakPolarHBondContact O-CG1 3.44Å; L48-I52 PolarHBondContact O-N 3.46Å; A49-I52 PolarHBondContact O-N 3.13Å; I52-K54 PolarHBondContact O-N 2.96Å; I52-N55 PolarHBondContact O-N 3.46Å; I52-L56 HydrophobicContact CG2-CD1 3.79Å; I52-L56 HydrophobicContact CG2-CG 4.34Å; I52-L56 WeakPolarHBondContact O-CB 3.22Å; I52-L56 WeakPolarHBondContact O-CG 3.37Å; I52-L56 PolarHBondContact O-N 2.93Å
53G95.4Very high95.2Very high27 Ų2793.3 Ų93.328%0.27850%0.501SS..Hα-helixtrans-57.7-46.5175.600000112.4A49 A50 N55 L56 L57A49-G53 PolarHBondContact O-N 2.96Å; A50-G53 PolarHBondContact O-N 2.82Å; G53-N55 PolarHBondContact O-N 3.19Å; G53-L56 PolarHBondContact O-N 2.76Å; G53-L57 WeakPolarHBondContact O-CB 3.31Å; G53-L57 VanDerWaalsContact O-CG 3.3Å; G53-L57 WeakPolarHBondContact O-CG 3.34Å; G53-L57 PolarHBondContact O-N 3.04Å
54K95.1Very high95.3Very high164 Ų16493.5 Ų93.571%0.71350%0.501SS*.Hα-helixtrans-61.9-40.5174.6-172.9175.9-179.4177.90112.3A50 K51 I52 A58A50-K54 WeakPolarHBondContact O-CB 3.48Å; A50-K54 PolarHBondContact O-N 2.76Å; K51-K54 PolarHBondContact O-N 3.19Å; I52-K54 PolarHBondContact O-N 2.96Å; K54-A58 WeakPolarHBondContact O-CB 3.31Å; K54-A58 PolarHBondContact O-N 2.86Å
55N95.5Very high95.4Very high80 Ų8092.4 Ų92.443%0.42850%0.497SS..Hα-helixtrans-67.7-40.2177-168.5-96.1000112.4K51 I52 G53 A58 K59K51-N55 WeakPolarHBondContact O-CB 3.4Å; K51-N55 PolarHBondContact O-N 3.48Å; I52-N55 PolarHBondContact O-N 3.46Å; G53-N55 PolarHBondContact O-N 3.19Å; N55-A58 PolarHBondContact O-N 3.28Å; N55-K59 WeakPolarHBondContact O-CB 3.38Å; N55-K59 WeakPolarHBondContact O-CG 3.5Å; N55-K59 PolarHBondContact O-N 3.22Å; N55-K59 WeakPolarHBondContact OD1-CE 3.32Å; N55-K59 PolarHBondContact OD1-NZ 3.47Å
56L95.8Very high95.3Very high107 Ų10796.2 Ų96.256%0.5651%0.506SS*.Hα-helixtrans-64.8-44.2174.6-75.8168.2000111.6I52 G53 K59 N60I52-L56 HydrophobicContact CG2-CD1 3.79Å; I52-L56 HydrophobicContact CG2-CG 4.34Å; I52-L56 WeakPolarHBondContact O-CB 3.22Å; I52-L56 WeakPolarHBondContact O-CG 3.37Å; I52-L56 PolarHBondContact O-N 2.93Å; G53-L56 PolarHBondContact O-N 2.76Å; L56-K59 PolarHBondContact O-N 2.97Å; L56-N60 WeakPolarHBondContact O-CB 3.38Å; L56-N60 PolarHBondContact O-N 3.48Å
57L94.8Very high95.3Very high127 Ų12795.5 Ų95.567%0.66550%0.502SS*.Hα-helixtrans-63-43.9175.4-73170.4000111.8G53 K59 N60 H61G53-L57 WeakPolarHBondContact O-CB 3.31Å; G53-L57 VanDerWaalsContact O-CG 3.3Å; G53-L57 WeakPolarHBondContact O-CG 3.34Å; G53-L57 PolarHBondContact O-N 3.04Å; L57-K59 PolarHBondContact O-N 3.1Å; L57-N60 PolarHBondContact O-N 2.81Å; L57-H61 WeakPolarHBondContact O-CB 3.42Å; L57-H61 PolarHBondContact O-N 2.74Å
58A94.1Very high95.4Very high60 Ų6096.8 Ų96.850%0.49651%0.511SS..Hα-helixtrans-62.2-42.8175.800000112.3K54 N55 H61 D62K54-A58 WeakPolarHBondContact O-CB 3.31Å; K54-A58 PolarHBondContact O-N 2.86Å; N55-A58 PolarHBondContact O-N 3.28Å; A58-H61 PolarHBondContact O-N 3.13Å; A58-D62 PolarHBondContact O-N 3.18Å
59K96.4Very high95.3Very high117 Ų11796.6 Ų96.651%0.50951%0.508SS..Hα-helixtrans-64.7-39.2173.2-78.8170.5173.8158.90112.5N55 L56 L57 H61 D62 L63N55-K59 WeakPolarHBondContact O-CB 3.38Å; N55-K59 WeakPolarHBondContact O-CG 3.5Å; N55-K59 PolarHBondContact O-N 3.22Å; N55-K59 WeakPolarHBondContact OD1-CE 3.32Å; N55-K59 PolarHBondContact OD1-NZ 3.47Å; L56-K59 PolarHBondContact O-N 2.97Å; L57-K59 PolarHBondContact O-N 3.1Å; K59-H61 VanDerWaalsContact C-N 3.34Å; K59-D62 PolarHBondContact O-N 2.87Å; K59-L63 WeakPolarHBondContact O-CB 3.35Å; K59-L63 VanDerWaalsContact O-CG 3.25Å; K59-L63 WeakPolarHBondContact O-CG 3.5Å; K59-L63 PolarHBondContact O-N 3.04Å
60N93.7Very high95.2Very high84 Ų8497.7 Ų97.745%0.44951%0.509SS..Hα-helixtrans-65.5-40.6176.9-158.3-62000110.4L56 L57 L63 Q64L56-N60 WeakPolarHBondContact O-CB 3.38Å; L56-N60 PolarHBondContact O-N 3.48Å; L57-N60 PolarHBondContact O-N 2.81Å; N60-L63 PolarHBondContact O-N 3.5Å; N60-Q64 WeakPolarHBondContact O-CB 3.45Å; N60-Q64 VanDerWaalsContact O-CG 3.27Å; N60-Q64 WeakPolarHBondContact O-CG 3.47Å; N60-Q64 PolarHBondContact O-N 3.27Å; N60-Q64 PolarHBondContact OD1-NE2 3.33Å
61H95.7Very high95.3Very high121 Ų12199 Ų9956%0.5650%0.504SS*.Hα-helixtrans-67.8-38175.3-170.656.3000113.4L57 A58 K59 Q64 S65L57-H61 WeakPolarHBondContact O-CB 3.42Å; L57-H61 PolarHBondContact O-N 2.74Å; A58-H61 PolarHBondContact O-N 3.13Å; K59-H61 VanDerWaalsContact C-N 3.34Å; H61-Q64 PolarHBondContact O-N 2.84Å; H61-S65 WeakPolarHBondContact O-CB 3.34Å; H61-S65 PolarHBondContact O-N 3.15Å; H61-S65 PolarHBondContact O-OG 3.39Å
62D95.5Very high95.2Very high85 Ų8598.6 Ų98.646%0.45550%0.502SS..Hα-helixtrans-61.6-46.4169.7178.576.3000111.2A58 K59 Q64 S65 R66A58-D62 PolarHBondContact O-N 3.18Å; K59-D62 PolarHBondContact O-N 2.87Å; D62-Q64 PolarHBondContact O-N 2.94Å; D62-S65 PolarHBondContact O-N 3.06Å; D62-R66 WeakPolarHBondContact O-CB 3.3Å; D62-R66 VanDerWaalsContact O-CG 3.24Å; D62-R66 WeakPolarHBondContact O-CG 3.37Å; D62-R66 PolarHBondContact O-N 3.5Å; D62-R66 VanDerWaalsContact OD2-CD 3.22Å; D62-R66 WeakPolarHBondContact OD2-CD 3.44Å; D62-R66 IonicContact OD2-NH1 3.75Å
63L95.1Very high95.3Very high101 Ų10197.3 Ų97.353%0.52950%0.496SS..Hα-helixtrans-62.8-41.8176.9-72.8171.1000112.3K59 N60 R66 L67K59-L63 WeakPolarHBondContact O-CB 3.35Å; K59-L63 VanDerWaalsContact O-CG 3.25Å; K59-L63 WeakPolarHBondContact O-CG 3.5Å; K59-L63 PolarHBondContact O-N 3.04Å; N60-L63 PolarHBondContact O-N 3.5Å; L63-R66 PolarHBondContact O-N 2.97Å; L63-L67 VanDerWaalsContact O-CB 3.28Å; L63-L67 WeakPolarHBondContact O-CB 3.4Å; L63-L67 PolarHBondContact O-N 3.48Å
64Q95.9Very high95.2Very high102 Ų102100.7 Ų100.748%0.47751%0.507SS..Hα-helixtrans-63.1-44.8173.7-74.9174.613.200111.6N60 H61 D62 R66 L67 L68N60-Q64 WeakPolarHBondContact O-CB 3.45Å; N60-Q64 VanDerWaalsContact O-CG 3.27Å; N60-Q64 WeakPolarHBondContact O-CG 3.47Å; N60-Q64 PolarHBondContact O-N 3.27Å; N60-Q64 PolarHBondContact OD1-NE2 3.33Å; H61-Q64 PolarHBondContact O-N 2.84Å; D62-Q64 PolarHBondContact O-N 2.94Å; Q64-R66 VanDerWaalsContact C-N 3.32Å; Q64-R66 PolarHBondContact O-N 3.02Å; Q64-L67 PolarHBondContact O-N 2.76Å; Q64-L68 WeakPolarHBondContact O-CG 3.47Å; Q64-L68 PolarHBondContact O-N 2.98Å
65S94.1Very high95.2Very high55 Ų5597.4 Ų97.439%0.38550%0.497SS..Hα-helixtrans-62.8-41177.9-58.30000111.4H61 D62 E69H61-S65 WeakPolarHBondContact O-CB 3.34Å; H61-S65 PolarHBondContact O-N 3.15Å; H61-S65 PolarHBondContact O-OG 3.39Å; D62-S65 PolarHBondContact O-N 3.06Å; S65-E69 WeakPolarHBondContact O-CB 3.45Å; S65-E69 PolarHBondContact O-N 3.47Å
66R96.7Very high95.1Very high153 Ų15395.8 Ų95.858%0.57750%0.495SS*.Hα-helixtrans-67.5-38.8174.3-72.3172.362.5-178.6-1.2112.3D62 L63 Q64 E69 T70D62-R66 WeakPolarHBondContact O-CB 3.3Å; D62-R66 VanDerWaalsContact O-CG 3.24Å; D62-R66 WeakPolarHBondContact O-CG 3.37Å; D62-R66 PolarHBondContact O-N 3.5Å; D62-R66 VanDerWaalsContact OD2-CD 3.22Å; D62-R66 WeakPolarHBondContact OD2-CD 3.44Å; D62-R66 IonicContact OD2-NH1 3.75Å; L63-R66 PolarHBondContact O-N 2.97Å; Q64-R66 VanDerWaalsContact C-N 3.32Å; Q64-R66 PolarHBondContact O-N 3.02Å; R66-E69 PolarHBondContact O-N 2.82Å; R66-T70 WeakPolarHBondContact O-CG2 3.46Å; R66-T70 PolarHBondContact O-N 2.94Å; R66-T70 PolarHBondContact O-OG1 2.9Å; R66-T70 VanDerWaalsContact O-OG1 3.08Å
67L94.8Very high95Very high102 Ų10297.7 Ų97.753%0.53450%0.495SS..Hα-helixtrans-61.5-52.9175.7-167.9164.7000109.8L63 Q64 E69 T70 E71L63-L67 VanDerWaalsContact O-CB 3.28Å; L63-L67 WeakPolarHBondContact O-CB 3.4Å; L63-L67 PolarHBondContact O-N 3.48Å; Q64-L67 PolarHBondContact O-N 2.76Å; L67-E69 VanDerWaalsContact C-N 3.31Å; L67-E69 PolarHBondContact O-N 3.39Å; L67-T70 WeakPolarHBondContact CA-OG1 3.33Å; L67-T70 CarbonylContact O-C 3.59Å; L67-T70 PolarHBondContact O-N 3.05Å; L67-T70 VanDerWaalsContact O-N 3.08Å; L67-T70 PolarHBondContact O-OG1 2.96Å; L67-E71 WeakPolarHBondContact O-CB 3.47Å; L67-E71 PolarHBondContact O-N 2.86Å
68L95.9Very high95.1Very high111 Ų11195.7 Ų95.758%0.58148%0.484SS*.Hα-helixtrans-57-41.5176.5-72.2171.2000112.5Q64 E71 K72Q64-L68 WeakPolarHBondContact O-CG 3.47Å; Q64-L68 PolarHBondContact O-N 2.98Å; L68-E71 PolarHBondContact O-N 3.22Å; L68-K72 VanDerWaalsContact O-CB 3.3Å; L68-K72 WeakPolarHBondContact O-CB 3.37Å; L68-K72 PolarHBondContact O-N 3.39Å
69E95.7Very high95.2Very high91 Ų9199.7 Ų99.743%0.42549%0.493SS..Hα-helixtrans-68.3-39.6175.8-174.157.3-148.100111.5S65 R66 L67 K72 N73S65-E69 WeakPolarHBondContact O-CB 3.45Å; S65-E69 PolarHBondContact O-N 3.47Å; R66-E69 PolarHBondContact O-N 2.82Å; L67-E69 VanDerWaalsContact C-N 3.31Å; L67-E69 PolarHBondContact O-N 3.39Å; E69-K72 IonicContact OE2-NZ 3.23Å; E69-N73 WeakPolarHBondContact O-CB 3.42Å; E69-N73 PolarHBondContact O-N 2.94Å; E69-N73 PolarHBondContact O-ND2 3.38Å; E69-N73 PolarHBondContact OE1-ND2 2.9Å
70T93Very high95.2Very high84 Ų8498.2 Ų98.252%0.51549%0.494SS..Hα-helixtrans-66.5-36.9173.751.60000112.9R66 L67 N73 L74R66-T70 WeakPolarHBondContact O-CG2 3.46Å; R66-T70 PolarHBondContact O-N 2.94Å; R66-T70 PolarHBondContact O-OG1 2.9Å; R66-T70 VanDerWaalsContact O-OG1 3.08Å; L67-T70 WeakPolarHBondContact CA-OG1 3.33Å; L67-T70 CarbonylContact O-C 3.59Å; L67-T70 PolarHBondContact O-N 3.05Å; L67-T70 VanDerWaalsContact O-N 3.08Å; L67-T70 PolarHBondContact O-OG1 2.96Å; T70-N73 CarbonylContact O-C 3.57Å; T70-N73 PolarHBondContact O-N 3.25Å; T70-L74 WeakPolarHBondContact O-CG 3.37Å; T70-L74 PolarHBondContact O-N 3.5Å
71E96.5Very high95.3Very high93 Ų9398.3 Ų98.344%0.43549%0.493SS..Hα-helixtrans-66-46.3176.4-175.6177.6-176.500111L67 L68 N73 L74 N75L67-E71 WeakPolarHBondContact O-CB 3.47Å; L67-E71 PolarHBondContact O-N 2.86Å; L68-E71 PolarHBondContact O-N 3.22Å; E71-N73 VanDerWaalsContact C-N 3.31Å; E71-N73 PolarHBondContact O-N 3.34Å; E71-L74 PolarHBondContact O-N 3.46Å; E71-L74 VanDerWaalsContact O-N 3.09Å; E71-N75 VanDerWaalsContact O-CG 3.3Å; E71-N75 PolarHBondContact O-N 2.85Å; E71-N75 PolarHBondContact O-ND2 2.84Å
72K95.3Very high95.2Very high118 Ų11896.1 Ų96.151%0.51349%0.491SS..Hα-helixtrans-57-42.9171.4-178.2-174.6172.2-164.40112.1L68 E69 L74 N75 A76L68-K72 VanDerWaalsContact O-CB 3.3Å; L68-K72 WeakPolarHBondContact O-CB 3.37Å; L68-K72 PolarHBondContact O-N 3.39Å; E69-K72 IonicContact OE2-NZ 3.23Å; K72-L74 VanDerWaalsContact C-N 3.33Å; K72-N75 PolarHBondContact O-N 3.48Å; K72-A76 WeakPolarHBondContact O-CB 3.31Å; K72-A76 PolarHBondContact O-N 3.27Å
73N95.9Very high95.3Very high62 Ų6297.4 Ų97.433%0.33250%0.495SS..Hα-helixtrans-74-19177.1-78.2-68.1000113.9E69 T70 E71 R77E69-N73 WeakPolarHBondContact O-CB 3.42Å; E69-N73 PolarHBondContact O-N 2.94Å; E69-N73 PolarHBondContact O-ND2 3.38Å; E69-N73 PolarHBondContact OE1-ND2 2.9Å; T70-N73 CarbonylContact O-C 3.57Å; T70-N73 PolarHBondContact O-N 3.25Å; E71-N73 VanDerWaalsContact C-N 3.31Å; E71-N73 PolarHBondContact O-N 3.34Å; N73-R77 VanDerWaalsContact O-CG 3.31Å; N73-R77 WeakPolarHBondContact O-CG 3.35Å; N73-R77 PolarHBondContact O-NH1 2.85Å
74L93.4Very high95.3Very high98 Ų9897.4 Ų97.451%0.51350%0.495SS..Hα-helixtrans-77.5-50.9168.4-76.2168000109.7T70 E71 K72 A76 R77 D78T70-L74 WeakPolarHBondContact O-CG 3.37Å; T70-L74 PolarHBondContact O-N 3.5Å; E71-L74 PolarHBondContact O-N 3.46Å; E71-L74 VanDerWaalsContact O-N 3.09Å; K72-L74 VanDerWaalsContact C-N 3.33Å; L74-A76 VanDerWaalsContact C-N 3.29Å; L74-A76 PolarHBondContact O-N 2.83Å; L74-R77 CarbonylContact O-C 3.52Å; L74-R77 WeakPolarHBondContact O-CA 3.49Å; L74-R77 WeakPolarHBondContact O-CB 3.32Å; L74-R77 PolarHBondContact O-N 3.34Å; L74-D78 PolarHBondContact O-N 3.25Å
75N94.6Very high95.3Very high94 Ų9496.8 Ų96.850%0.50350%0.495SS..Hα-helixtrans-55-42177.4-67.6-22.2000112.4E71 K72 R77 D78 E79E71-N75 VanDerWaalsContact O-CG 3.3Å; E71-N75 PolarHBondContact O-N 2.85Å; E71-N75 PolarHBondContact O-ND2 2.84Å; K72-N75 PolarHBondContact O-N 3.48Å; N75-R77 PolarHBondContact O-N 3.37Å; N75-D78 PolarHBondContact O-N 3.48Å; N75-E79 PolarHBondContact O-N 2.83Å
76A94.9Very high95.4Very high46 Ų4699.5 Ų99.538%0.3850%0.501SS..Hα-helixtrans-65.7-33.8175.200000113.4K72 L74 V80K72-A76 WeakPolarHBondContact O-CB 3.31Å; K72-A76 PolarHBondContact O-N 3.27Å; L74-A76 VanDerWaalsContact C-N 3.29Å; L74-A76 PolarHBondContact O-N 2.83Å; A76-V80 WeakPolarHBondContact O-CG2 3.46Å; A76-V80 PolarHBondContact O-N 2.92Å
77R93.4Very high95.3Very high148 Ų14895.3 Ų95.356%0.55849%0.49SS*.Hα-helixtrans-72.7-39.1173.4-74.1179.3-175.9101.5-5.3111.4N73 L74 N75 E79 V80 I81N73-R77 VanDerWaalsContact O-CG 3.31Å; N73-R77 WeakPolarHBondContact O-CG 3.35Å; N73-R77 PolarHBondContact O-NH1 2.85Å; L74-R77 CarbonylContact O-C 3.52Å; L74-R77 WeakPolarHBondContact O-CA 3.49Å; L74-R77 WeakPolarHBondContact O-CB 3.32Å; L74-R77 PolarHBondContact O-N 3.34Å; N75-R77 PolarHBondContact O-N 3.37Å; R77-E79 VanDerWaalsContact C-N 3.33Å; R77-V80 PolarHBondContact O-N 2.71Å; R77-I81 WeakPolarHBondContact O-CB 3.42Å; R77-I81 VanDerWaalsContact O-CG1 3.27Å; R77-I81 WeakPolarHBondContact O-CG1 3.46Å; R77-I81 PolarHBondContact O-N 3.25Å
78D97.1Very high95.2Very high84 Ų8494.9 Ų94.945%0.44949%0.488SS..Hα-helixtrans-66.8-34.3177.5-71.7-23.3000111.9L74 N75 S82L74-D78 PolarHBondContact O-N 3.25Å; N75-D78 PolarHBondContact O-N 3.48Å; D78-S82 VanDerWaalsContact O-CB 3.27Å; D78-S82 WeakPolarHBondContact O-CB 3.29Å; D78-S82 PolarHBondContact O-N 2.91Å; D78-S82 PolarHBondContact O-OG 3.08Å
79E95.7Very high95.2Very high145 Ų14593 Ų9368%0.67848%0.481SS*.Hα-helixtrans-64.1-46.4169.9-174.3174.6-165.500111.4N75 R77 I81 S82 Q83N75-E79 PolarHBondContact O-N 2.83Å; R77-E79 VanDerWaalsContact C-N 3.33Å; E79-I81 PolarHBondContact O-N 2.84Å; E79-S82 PolarHBondContact O-N 3.24Å; E79-Q83 WeakPolarHBondContact O-CB 3.34Å; E79-Q83 PolarHBondContact O-N 3.49Å
80V96.4Very high95.2Very high86 Ų8692 Ų9252%0.52148%0.481SS..Hα-helixtrans-62.4-41.9175.4170.70000111.8A76 R77 Q83 L84A76-V80 WeakPolarHBondContact O-CG2 3.46Å; A76-V80 PolarHBondContact O-N 2.92Å; R77-V80 PolarHBondContact O-N 2.71Å; V80-Q83 PolarHBondContact O-N 3.15Å; V80-L84 HydrophobicContact CG1-CD1 3.95Å; V80-L84 HydrophobicContact CG1-CG 4.4Å; V80-L84 WeakPolarHBondContact O-CB 3.49Å; V80-L84 VanDerWaalsContact O-CG 3.3Å; V80-L84 WeakPolarHBondContact O-CG 3.45Å; V80-L84 PolarHBondContact O-N 3.31Å
81I95.7Very high95.3Very high85 Ų8594.1 Ų94.144%0.43648%0.483SS..Hα-helixtrans-63.3-43.6175.2-70.6163.6000110.4R77 E79 Q83 L84 N85R77-I81 WeakPolarHBondContact O-CB 3.42Å; R77-I81 VanDerWaalsContact O-CG1 3.27Å; R77-I81 WeakPolarHBondContact O-CG1 3.46Å; R77-I81 PolarHBondContact O-N 3.25Å; E79-I81 PolarHBondContact O-N 2.84Å; I81-Q83 VanDerWaalsContact C-N 3.35Å; I81-Q83 PolarHBondContact O-N 3.09Å; I81-L84 PolarHBondContact O-N 3.37Å; I81-N85 WeakPolarHBondContact CG2-ND2 3.4Å; I81-N85 VanDerWaalsContact O-CB 3.31Å; I81-N85 WeakPolarHBondContact O-CB 3.3Å; I81-N85 PolarHBondContact O-N 2.97Å; I81-N85 PolarHBondContact O-ND2 3.32Å
82S94.5Very high95.2Very high75 Ų7593.7 Ų93.752%0.52448%0.484SS..Hα-helixtrans-62.3-42.1176.8-60.70000111.7D78 E79 N85 H86D78-S82 VanDerWaalsContact O-CB 3.27Å; D78-S82 WeakPolarHBondContact O-CB 3.29Å; D78-S82 PolarHBondContact O-N 2.91Å; D78-S82 PolarHBondContact O-OG 3.08Å; E79-S82 PolarHBondContact O-N 3.24Å; S82-N85 PolarHBondContact O-N 2.91Å; S82-H86 WeakPolarHBondContact O-CB 3.27Å; S82-H86 PolarHBondContact O-N 3.47Å
83Q95.9Very high95Very high112 Ų11291.3 Ų91.352%0.52348%0.477SS..Hα-helixtrans-66.8-42.4176-178.361.41.900111.8E79 V80 I81 H86 N87E79-Q83 WeakPolarHBondContact O-CB 3.34Å; E79-Q83 PolarHBondContact O-N 3.49Å; V80-Q83 PolarHBondContact O-N 3.15Å; I81-Q83 VanDerWaalsContact C-N 3.35Å; I81-Q83 PolarHBondContact O-N 3.09Å; Q83-H86 PolarHBondContact O-N 3.33Å; Q83-N87 PolarHBondContact NE2-ND2 3.4Å; Q83-N87 WeakPolarHBondContact O-CB 3.48Å; Q83-N87 PolarHBondContact O-N 3.34Å; Q83-N87 PolarHBondContact O-ND2 3.42Å
84L95.6Very high94.8Very high102 Ų10292.4 Ų92.453%0.53448%0.482SS..Hα-helixtrans-64.7-42.1175-74171.8000111.7V80 I81 H86 N87 L88V80-L84 HydrophobicContact CG1-CD1 3.95Å; V80-L84 HydrophobicContact CG1-CG 4.4Å; V80-L84 WeakPolarHBondContact O-CB 3.49Å; V80-L84 VanDerWaalsContact O-CG 3.3Å; V80-L84 WeakPolarHBondContact O-CG 3.45Å; V80-L84 PolarHBondContact O-N 3.31Å; I81-L84 PolarHBondContact O-N 3.37Å; L84-H86 PolarHBondContact O-N 3.49Å; L84-N87 PolarHBondContact O-N 3.21Å; L84-L88 WeakPolarHBondContact O-CB 3.27Å; L84-L88 WeakPolarHBondContact O-CG 3.44Å; L84-L88 PolarHBondContact O-N 3.37Å
85N96.1Very high94.4Very high88 Ų8892.4 Ų92.447%0.47148%0.482SS..Hα-helixtrans-63.4-39.6174.8-73.9-23.6000112.1I81 S82 L88 T89I81-N85 WeakPolarHBondContact CG2-ND2 3.4Å; I81-N85 VanDerWaalsContact O-CB 3.31Å; I81-N85 WeakPolarHBondContact O-CB 3.3Å; I81-N85 PolarHBondContact O-N 2.97Å; I81-N85 PolarHBondContact O-ND2 3.32Å; S82-N85 PolarHBondContact O-N 2.91Å; N85-L88 PolarHBondContact O-N 3.19Å; N85-T89 WeakPolarHBondContact O-CB 3.43Å; N85-T89 PolarHBondContact O-N 3.28Å; N85-T89 PolarHBondContact O-OG1 2.98Å
86H95.4Very high94.1Very high112 Ų11294.9 Ų94.952%0.51948%0.484SS..Hα-helixtrans-63.1-46.1172.717962.9000111.4S82 Q83 L84 L88 T89 V90S82-H86 WeakPolarHBondContact O-CB 3.27Å; S82-H86 PolarHBondContact O-N 3.47Å; Q83-H86 PolarHBondContact O-N 3.33Å; L84-H86 PolarHBondContact O-N 3.49Å; H86-L88 PolarHBondContact O-N 2.8Å; H86-T89 PolarHBondContact O-N 2.86Å; H86-V90 WeakPolarHBondContact O-CG2 3.31Å; H86-V90 PolarHBondContact O-N 3.12Å
87N95.9Very high93.6Very high66 Ų6697.1 Ų97.135%0.35349%0.489SS..Hα-helixtrans-64.2-38.1177.4-81.4-83.3000112.8Q83 L84 K91Q83-N87 PolarHBondContact NE2-ND2 3.4Å; Q83-N87 WeakPolarHBondContact O-CB 3.48Å; Q83-N87 PolarHBondContact O-N 3.34Å; Q83-N87 PolarHBondContact O-ND2 3.42Å; L84-N87 PolarHBondContact O-N 3.21Å; N87-K91 WeakPolarHBondContact O-CB 3.35Å; N87-K91 VanDerWaalsContact O-CG 3.29Å; N87-K91 WeakPolarHBondContact O-CG 3.48Å; N87-K91 PolarHBondContact O-N 3.19Å
88L93.2Very high92.9Very high92 Ų9295.6 Ų95.648%0.48249%0.487SS..Hα-helixtrans-63-48.4170.8-76.1171.2000110.7L84 N85 H86 V90 K91 D92L84-L88 WeakPolarHBondContact O-CB 3.27Å; L84-L88 WeakPolarHBondContact O-CG 3.44Å; L84-L88 PolarHBondContact O-N 3.37Å; N85-L88 PolarHBondContact O-N 3.19Å; H86-L88 PolarHBondContact O-N 2.8Å; L88-V90 VanDerWaalsContact C-N 3.29Å; L88-V90 PolarHBondContact O-N 3Å; L88-K91 CarbonylContact O-C 3.59Å; L88-K91 WeakPolarHBondContact O-CA 3.38Å; L88-K91 WeakPolarHBondContact O-CB 3.5Å; L88-K91 PolarHBondContact O-N 3.18Å; L88-D92 VanDerWaalsContact O-CG 3.29Å; L88-D92 PolarHBondContact O-N 3.22Å
89T94.9Very high92.2Very high72 Ų7296.5 Ų96.544%0.44249%0.491SS..Hα-helixtrans-58.4-39.8177.3-55.30000112.2N85 H86 N93N85-T89 WeakPolarHBondContact O-CB 3.43Å; N85-T89 PolarHBondContact O-N 3.28Å; N85-T89 PolarHBondContact O-OG1 2.98Å; H86-T89 PolarHBondContact O-N 2.86Å; T89-N93 WeakPolarHBondContact O-CB 3.45Å; T89-N93 PolarHBondContact O-N 2.77Å; T89-N93 PolarHBondContact O-ND2 3.45Å; T89-N93 VanDerWaalsContact O-ND2 3.1Å
90V95Very high91.2Very high71 Ų7198.3 Ų98.343%0.4349%0.492SS..Hα-helixtrans-66.2-42.5174.8170.70000111.1H86 L88 N93 L94H86-V90 WeakPolarHBondContact O-CG2 3.31Å; H86-V90 PolarHBondContact O-N 3.12Å; L88-V90 VanDerWaalsContact C-N 3.29Å; L88-V90 PolarHBondContact O-N 3Å; V90-N93 PolarHBondContact O-N 3.23Å; V90-L94 WeakPolarHBondContact O-CB 3.49Å; V90-L94 PolarHBondContact O-N 3.49Å
91K96Very high89.9Confident128 Ų12898.3 Ų98.356%0.55749%0.489SS*.Hα-helixtrans-64-43.7174.2-74.4172.9-179.8-178.90112N87 L88 N93 L94 L95N87-K91 WeakPolarHBondContact O-CB 3.35Å; N87-K91 VanDerWaalsContact O-CG 3.29Å; N87-K91 WeakPolarHBondContact O-CG 3.48Å; N87-K91 PolarHBondContact O-N 3.19Å; L88-K91 CarbonylContact O-C 3.59Å; L88-K91 WeakPolarHBondContact O-CA 3.38Å; L88-K91 WeakPolarHBondContact O-CB 3.5Å; L88-K91 PolarHBondContact O-N 3.18Å; K91-N93 VanDerWaalsContact C-N 3.35Å; K91-N93 PolarHBondContact O-N 3.09Å; K91-L94 PolarHBondContact O-N 2.93Å; K91-L95 WeakPolarHBondContact O-CB 3.32Å; K91-L95 VanDerWaalsContact O-CG 3.3Å; K91-L95 WeakPolarHBondContact O-CG 3.4Å; K91-L95 PolarHBondContact O-N 3.14Å
92D95.1Very high88.5Confident83 Ų8396.9 Ų96.944%0.44449%0.486SS..Hα-helixtrans-64.2-39.3177.3-68-18.5000111.7L88 R96L88-D92 VanDerWaalsContact O-CG 3.29Å; L88-D92 PolarHBondContact O-N 3.22Å; D92-R96 VanDerWaalsContact O-CB 3.31Å; D92-R96 WeakPolarHBondContact O-CB 3.47Å; D92-R96 PolarHBondContact O-N 3.49Å
93N91.2Very high86.7Confident68 Ų6897.7 Ų97.736%0.36449%0.485SS..Hα-helixtrans-65.5-40.1173.5-72.5-27.7000111.8T89 V90 K91 R96 I97T89-N93 WeakPolarHBondContact O-CB 3.45Å; T89-N93 PolarHBondContact O-N 2.77Å; T89-N93 PolarHBondContact O-ND2 3.45Å; T89-N93 VanDerWaalsContact O-ND2 3.1Å; V90-N93 PolarHBondContact O-N 3.23Å; K91-N93 VanDerWaalsContact C-N 3.35Å; K91-N93 PolarHBondContact O-N 3.09Å; N93-R96 PolarHBondContact O-N 2.88Å; N93-R96 PolarHBondContact OD1-NH1 3.09Å; N93-R96 PolarHBondContact OD1-NH2 2.87Å; N93-I97 WeakPolarHBondContact O-CG1 3.38Å; N93-I97 PolarHBondContact O-N 2.75Å; N93-I97 VanDerWaalsContact O-N 3.13Å
94L90.2Very high84.6Confident85 Ų8599.4 Ų99.445%0.44549%0.493SS..Hα-helixtrans-69.6-42.3176.9-177.261.8000111.9V90 K91 R96 I97 F98V90-L94 WeakPolarHBondContact O-CB 3.49Å; V90-L94 PolarHBondContact O-N 3.49Å; K91-L94 PolarHBondContact O-N 2.93Å; L94-R96 VanDerWaalsContact C-N 3.3Å; L94-R96 PolarHBondContact O-N 3.2Å; L94-I97 WeakPolarHBondContact O-CB 3.2Å; L94-I97 PolarHBondContact O-N 2.9Å; L94-I97 VanDerWaalsContact O-N 3.13Å; L94-F98 HydrophobicContact CD1-CD2 4.06Å; L94-F98 HydrophobicContact CD1-CE2 3.65Å; L94-F98 HydrophobicContact CD1-CZ 4.43Å; L94-F98 HydrophobicContact CD2-CE2 4.1Å; L94-F98 HydrophobicContact CG-CD2 3.87Å; L94-F98 HydrophobicContact CG-CE2 3.64Å; L94-F98 WeakPolarHBondContact O-CD2 3.48Å; L94-F98 PolarHBondContact O-N 2.86Å
95L86.3Confident82.8Confident98 Ų98100.7 Ų100.751%0.51350%0.499SS..Hα-helixtrans-60.8-39.3172.2-74.2171.1000111K91 I97 F98 L99K91-L95 WeakPolarHBondContact O-CB 3.32Å; K91-L95 VanDerWaalsContact O-CG 3.3Å; K91-L95 WeakPolarHBondContact O-CG 3.4Å; K91-L95 PolarHBondContact O-N 3.14Å; L95-I97 VanDerWaalsContact C-N 3.29Å; L95-I97 PolarHBondContact O-N 3.47Å; L95-F98 PolarHBondContact O-N 2.99Å; L95-L99 VanDerWaalsContact O-CB 3.31Å; L95-L99 WeakPolarHBondContact O-CB 3.43Å; L95-L99 WeakPolarHBondContact O-CG 3.38Å; L95-L99 PolarHBondContact O-N 3.33Å
96R87.7Confident80.8Confident146 Ų14699.4 Ų99.455%0.55149%0.494SS*.Hα-helixtrans-66.1-29.3174.8-160.1-176.3-50.311011.5113D92 N93 L94 R100D92-R96 VanDerWaalsContact O-CB 3.31Å; D92-R96 WeakPolarHBondContact O-CB 3.47Å; D92-R96 PolarHBondContact O-N 3.49Å; N93-R96 PolarHBondContact O-N 2.88Å; N93-R96 PolarHBondContact OD1-NH1 3.09Å; N93-R96 PolarHBondContact OD1-NH2 2.87Å; L94-R96 VanDerWaalsContact C-N 3.3Å; L94-R96 PolarHBondContact O-N 3.2Å; R96-R100 VanDerWaalsContact O-CB 3.22Å; R96-R100 WeakPolarHBondContact O-CB 3.3Å; R96-R100 PolarHBondContact O-N 2.85Å; R96-R100 VanDerWaalsContact O-N 3.1Å
97I84.7Confident78.7Confident93 Ų93101 Ų10148%0.47751%0.507SS..Hα-helixtrans-71.6-50.5170.9-66.2163.4000109.5N93 L94 L95 L99 R100 D101N93-I97 WeakPolarHBondContact O-CG1 3.38Å; N93-I97 PolarHBondContact O-N 2.75Å; N93-I97 VanDerWaalsContact O-N 3.13Å; L94-I97 WeakPolarHBondContact O-CB 3.2Å; L94-I97 PolarHBondContact O-N 2.9Å; L94-I97 VanDerWaalsContact O-N 3.13Å; L95-I97 VanDerWaalsContact C-N 3.29Å; L95-I97 PolarHBondContact O-N 3.47Å; I97-L99 VanDerWaalsContact C-N 3.34Å; I97-L99 PolarHBondContact O-N 2.75Å; I97-R100 PolarHBondContact O-N 3.24Å; I97-R100 VanDerWaalsContact O-N 3.15Å; I97-D101 WeakPolarHBondContact O-CB 3.4Å; I97-D101 VanDerWaalsContact O-CG 3.3Å; I97-D101 PolarHBondContact O-N 2.88Å
98F78.9Confident76.9Confident116 Ų116104.4 Ų104.451%0.50952%0.524SS..Hα-helixtrans-61.7-37.7178.5-78.9-60.7000113.6L94 L95 D101 S102L94-F98 HydrophobicContact CD1-CD2 4.06Å; L94-F98 HydrophobicContact CD1-CE2 3.65Å; L94-F98 HydrophobicContact CD1-CZ 4.43Å; L94-F98 HydrophobicContact CD2-CE2 4.1Å; L94-F98 HydrophobicContact CG-CD2 3.87Å; L94-F98 HydrophobicContact CG-CE2 3.64Å; L94-F98 WeakPolarHBondContact O-CD2 3.48Å; L94-F98 PolarHBondContact O-N 2.86Å; L95-F98 PolarHBondContact O-N 2.99Å; F98-D101 PolarHBondContact O-N 3.47Å; F98-S102 VanDerWaalsContact O-CB 3.25Å; F98-S102 WeakPolarHBondContact O-CB 3.37Å; F98-S102 PolarHBondContact O-N 3.46Å; F98-S102 PolarHBondContact O-OG 3.29Å
99L80.9Confident74.8Confident103 Ų103106.5 Ų106.554%0.53954%0.535SS..Hα-helixtrans-63.2-51.6171.3-79159.6000110.1L95 I97 D101 S102 D103L95-L99 VanDerWaalsContact O-CB 3.31Å; L95-L99 WeakPolarHBondContact O-CB 3.43Å; L95-L99 WeakPolarHBondContact O-CG 3.38Å; L95-L99 PolarHBondContact O-N 3.33Å; I97-L99 VanDerWaalsContact C-N 3.34Å; I97-L99 PolarHBondContact O-N 2.75Å; L99-D101 PolarHBondContact O-N 3.37Å; L99-D101 VanDerWaalsContact O-N 3.16Å; L99-S102 CarbonylContact O-C 3.55Å; L99-S102 WeakPolarHBondContact O-CA 3.27Å; L99-S102 PolarHBondContact O-N 2.96Å; L99-D103 WeakPolarHBondContact O-CB 3.41Å; L99-D103 PolarHBondContact O-N 3.24Å
100R75.1Confident72.5Confident183 Ų183109.6 Ų109.669%0.69155%0.549SS*.Hα-helixtrans-58.7-32.2177.5-175.3177.1-176.5-177.11.6114.2R96 I97R96-R100 VanDerWaalsContact O-CB 3.22Å; R96-R100 WeakPolarHBondContact O-CB 3.3Å; R96-R100 PolarHBondContact O-N 2.85Å; R96-R100 VanDerWaalsContact O-N 3.1Å; I97-R100 PolarHBondContact O-N 3.24Å; I97-R100 VanDerWaalsContact O-N 3.15Å
101D70.1Confident70.3Confident86 Ų86114 Ų11446%0.4657%0.57SS.*Hα-helixtrans-80.2-26.4175.4-66.5-14.9000111.8I97 F98 L99I97-D101 WeakPolarHBondContact O-CB 3.4Å; I97-D101 VanDerWaalsContact O-CG 3.3Å; I97-D101 PolarHBondContact O-N 2.88Å; F98-D101 PolarHBondContact O-N 3.47Å; L99-D101 PolarHBondContact O-N 3.37Å; L99-D101 VanDerWaalsContact O-N 3.16Å
102S65.9Low68Low55 Ų55117 Ų11739%0.38559%0.586SS.*Hα-helixtrans-82.4-40.8176.1-57.50000112.4F98 L99 Q104 I105 T106F98-S102 VanDerWaalsContact O-CB 3.25Å; F98-S102 WeakPolarHBondContact O-CB 3.37Å; F98-S102 PolarHBondContact O-N 3.46Å; F98-S102 PolarHBondContact O-OG 3.29Å; L99-S102 CarbonylContact O-C 3.55Å; L99-S102 WeakPolarHBondContact O-CA 3.27Å; L99-S102 PolarHBondContact O-N 2.96Å; S102-Q104 PolarHBondContact O-N 3.41Å; S102-Q104 VanDerWaalsContact O-N 3.14Å; S102-I105 CarbonylContact O-C 3.56Å; S102-I105 WeakPolarHBondContact O-CA 3.3Å; S102-I105 WeakPolarHBondContact O-CB 3.41Å; S102-I105 PolarHBondContact O-N 2.9Å; S102-T106 WeakPolarHBondContact O-CG2 3.38Å; S102-T106 PolarHBondContact O-N 3.33Å; S102-T106 PolarHBondContact O-OG1 2.98Å
103D56.5Low65.7Low92 Ų92119.5 Ų119.549%0.49260%0.604SS.*Hα-helixtrans-54.9-31.6173.7-60.8-17.8000110.5L99 I105 T106L99-D103 WeakPolarHBondContact O-CB 3.41Å; L99-D103 PolarHBondContact O-N 3.24Å; D103-I105 PolarHBondContact O-N 3.38Å; D103-T106 WeakPolarHBondContact CA-OG1 3.28Å
104Q52.7Low63.5Low149 Ų149122.2 Ų122.270%0.69663%0.629SS**Hα-helixtrans-77.2-3176.1-140.8166.7124.500114.2S102S102-Q104 PolarHBondContact O-N 3.41Å; S102-Q104 VanDerWaalsContact O-N 3.14Å
105I56.5Low61.3Low128 Ų128124.1 Ų124.166%0.65664%0.643SS**Hα-helixtrans-119.8-25.9178.9-61.2173.2000110.6S102 D103S102-I105 CarbonylContact O-C 3.56Å; S102-I105 WeakPolarHBondContact O-CA 3.3Å; S102-I105 WeakPolarHBondContact O-CB 3.41Å; S102-I105 PolarHBondContact O-N 2.9Å; D103-I105 PolarHBondContact O-N 3.38Å
106T54.2Low59.2Low62 Ų62127.2 Ų127.238%0.3866%0.66SS.*Hα-helixtrans-88.7-3.5-175.4530000115.9S102 D103 I108 N109S102-T106 WeakPolarHBondContact O-CG2 3.38Å; S102-T106 PolarHBondContact O-N 3.33Å; S102-T106 PolarHBondContact O-OG1 2.98Å; D103-T106 WeakPolarHBondContact CA-OG1 3.28Å; T106-I108 PolarHBondContact O-N 3.44Å; T106-N109 PolarHBondContact O-N 2.8Å; T106-N109 VanDerWaalsContact O-N 3.09Å
107D51.6Low57Low145 Ų145126 Ų12678%0.77567%0.674SS**THydrogen-bonded Turntrans-52.87.1169.9-91.2-15000115.3
108I57.4Low54.9Low138 Ų138127.3 Ų127.371%0.70869%0.691SS**THydrogen-bonded Turntrans-117.9-19.7-176.7-59.3179.3000112.8T106T106-I108 PolarHBondContact O-N 3.44Å
109N50.2Low52.8Low135 Ų135125 Ų12572%0.72270%0.7SS**  trans-143.652.4-169.1-56.5-75.5000115.9T106 D111T106-N109 PolarHBondContact O-N 2.8Å; T106-N109 VanDerWaalsContact O-N 3.09Å; N109-D111 PolarHBondContact O-N 2.76Å
110D45.7Very low50.6Low137 Ų137132 Ų13273%0.73372%0.719SS**  trans-94.976.7169.8-76.6-43.6000111.7
111D50.4Low48.8Very low165 Ų165127.8 Ų127.888%0.88272%0.723SS**SBendtrans-159.831.8174.7-112.3-22.4000115.3N109N109-D111 PolarHBondContact O-N 2.76Å
112E47.3Very low46.9Very low190 Ų190128.9 Ų128.989%0.88874%0.738SS**SBendtrans-159.9169.3159-124.5-174-173.300113.3
113V46.3Very low45.6Very low136 Ų136131.6 Ų131.682%0.82475%0.754SS**  trans74.274.2-178.7-163.90000115.5
114S44.6Very low44.5Very low125 Ų125133.2 Ų133.287%0.87477%0.767SS**  trans-134.818.9169.5-151.70000114.4
115V44.6Very low43.6Very low125 Ų125138 Ų13876%0.75878%0.778SS**  trans-140.2155180-1710000109.1
116L42.1Very low42.5Very low163 Ų163136 Ų13685%0.85378%0.776SS**  trans78.4105-167.7-44.3177.1000111.5
117S40.9Very low41.8Very low121 Ų121142.1 Ų142.185%0.84680%0.8SS**  cis-149140.644.6-66.50000114.9
118S41.3Very low41Very low119 Ų119144.8 Ų144.883%0.83281%0.808SS**  trans-58.1152.1165-147.90000110.4
119G33.8Very low39.9Very low68 Ų68142 Ų14270%0.70181%0.813SS**  cis89.186.225.900000110.7
120R36Very low39Very low251 Ų251144 Ų14495%0.94782%0.823SS**  trans-148.8121.2162.9-169.9170.3178.2-178.6-2110.7
121A37.1Very low38.5Very low94 Ų94142.8 Ų142.878%0.77783%0.825SS**  trans-102156.6-179.400000112.1
122S29.5Very low37.7Very low109 Ų109140.3 Ų140.376%0.76282%0.821SS**  trans-72.2-178152-43.60000109.5
123P39.7Very low37.3Very low111 Ų111136.8 Ų136.872%0.72182%0.817SS**  cis-141-162.5-0.126.11.8000114.2
124V33Very low36.9Very low127 Ų127135.1 Ų135.177%0.7782%0.818SS**  trans77.1116.7155.4-166.10000119.7
125R32.6Very low36.6Very low248 Ų248133 Ų13394%0.93682%0.815SS**  trans-145.2112.8136.7-167.8170.1-174161.51110.7
126S34.8Very low36.3Very low87 Ų87131 Ų13161%0.60882%0.82SS**  trans-95.5149.2168.347.30000110.4
127Q39.8Very low36.1Very low191 Ų191126.9 Ų126.989%0.89382%0.817SS**  trans169.6119.4135.4-93.5167.512.800110.8
128Q34.3Very low36.1Very low201 Ų201129 Ų12994%0.93982%0.819SS**  trans-84.1153.9160.4-71.7169.4-36.200109.1
129G33.8Very low35.9Very low78 Ų78126.5 Ų126.580%0.80481%0.812SS**  trans-170.371.1179.500000114.1
130L32.1Very low36.4Very low177 Ų177132.9 Ų132.993%0.92782%0.821SS**  trans-109.698.7167.5-81.7170.5000109.6
131S34.2Very low36.6Very low112 Ų112125.6 Ų125.678%0.78381%0.809SS**  trans-164.3119.7149.9-10.40000112.4
132S33.4Very low36.9Very low113 Ų113129.3 Ų129.379%0.7981%0.814SS**  trans12128.3141.956.30000120.4
133S40.2Very low37.9Very low117 Ų117129.7 Ų129.782%0.81882%0.817SS**  -179.8137.9103.1-167.30000113.5
134A37.3Very low38.4Very low101 Ų101128.8 Ų128.884%0.83581%0.813SS**  trans37121.7151.600000122
135G38.6Very low39.3Very low79 Ų79126.9 Ų126.981%0.81480%0.802SS**  trans168.8105.5155.700000114.9
136G38.2Very low40.6Very low83 Ų83120.3 Ų120.386%0.85679%0.785SS**  trans78.1123.5174.500000114.2
137G38.2Very low42.7Very low78 Ų78124 Ų12480%0.80479%0.791SS**  cis95.271.56.500000112.8
138D41.1Very low44.8Very low166 Ų166118.4 Ų118.489%0.88878%0.777SS**  trans-156.4156.4131.7-131.1-28.2000112.3
139G36.7Very low47.1Very low66 Ų66114.7 Ų114.768%0.6876%0.76SS**  trans-82.3135.5-165.400000115.5
140F44.6Very low49.7Very low201 Ų201115.9 Ų115.988%0.88275%0.747SS**  trans-114.6116.6164.4-85.5-87.1000111.2L142F140-L142 PolarHBondContact O-N 3.08Å
141S40.4Very low52.3Low99 Ų99113 Ų11369%0.69273%0.729SS**  trans-65.2113.4-179.9-65.50000112.4S143 S144S141-S143 PolarHBondContact O-N 3.08Å; S141-S144 PolarHBondContact O-N 2.86Å
142L42.5Very low55.1Low171 Ų171113.7 Ų113.790%0.89572%0.717SS**THydrogen-bonded Turntrans-64.3-1.8-176.3-75.1162.3000115.8F140F140-L142 PolarHBondContact O-N 3.08Å
143S49.9Very low58Low117 Ų117114.2 Ų114.282%0.81871%0.706SS**THydrogen-bonded Turntrans-98.8-10-176.552.50000115.2S141S141-S143 PolarHBondContact O-N 3.08Å
144S50.1Low60.6Low92 Ų92113 Ų11364%0.64369%0.69SS**  trans-99.810.1-178.1-168.20000114.1S141 N146S141-S144 PolarHBondContact O-N 2.86Å; S144-N146 PolarHBondContact O-N 3.43Å
145V53.5Low63.3Low87 Ų87109.6 Ų109.653%0.52766%0.664SS.*  trans-76.892.9174.2-172.60000108.4F147 L150V145-F147 PolarHBondContact O-N 3.22Å; V145-F147 VanDerWaalsContact O-N 3.08Å; V145-L150 HydrophobicContact CG1-CD1 3.47Å; V145-L150 VanDerWaalsContact CG1-CD1 3.47Å; V145-L150 HydrophobicContact CG1-CD2 4.23Å; V145-L150 HydrophobicContact CG1-CG 3.56Å
146N59.3Low66Low110 Ų110109.7 Ų109.759%0.58865%0.646SS**  trans-50.3117.2178.2-73.3-44.3000110.4S144 A148 Q149 L150S144-N146 PolarHBondContact O-N 3.43Å; N146-A148 PolarHBondContact O-N 2.9Å; N146-A148 VanDerWaalsContact O-N 3.14Å; N146-Q149 HydrophobicContact CB-CB 3.89Å; N146-Q149 WeakPolarHBondContact O-CA 3.24Å; N146-Q149 WeakPolarHBondContact O-CB 3.37Å; N146-Q149 PolarHBondContact O-N 3.35Å; N146-L150 PolarHBondContact O-N 2.83Å; N146-L150 VanDerWaalsContact O-N 3.1Å
147F78.4Confident68.7Low165 Ų165109.9 Ų109.972%0.72463%0.627SS**Hα-helixtrans-50.3-39.7175.7174.1-99.7000111.5V145 Q149 L150 H151V145-F147 PolarHBondContact O-N 3.22Å; V145-F147 VanDerWaalsContact O-N 3.08Å; F147-Q149 PolarHBondContact O-N 2.88Å; F147-L150 PolarHBondContact O-N 3.49Å; F147-H151 VanDerWaalsContact O-CB 3.3Å; F147-H151 WeakPolarHBondContact O-CB 3.22Å; F147-H151 PolarHBondContact O-N 3.48Å
148A83.9Confident71.5Confident74 Ų74111.3 Ų111.361%0.61261%0.612SS**Hα-helixtrans-61.9-36.5173.900000114.1N146 K152N146-A148 PolarHBondContact O-N 2.9Å; N146-A148 VanDerWaalsContact O-N 3.14Å; A148-K152 WeakPolarHBondContact O-CB 3.42Å; A148-K152 PolarHBondContact O-N 3.43Å
149Q83Confident74Confident122 Ų122109.4 Ų109.457%0.5760%0.598SS**Hα-helixtrans-73.7-37.8178.7-170.667.224.300111.4N146 F147 K153N146-Q149 HydrophobicContact CB-CB 3.89Å; N146-Q149 WeakPolarHBondContact O-CA 3.24Å; N146-Q149 WeakPolarHBondContact O-CB 3.37Å; N146-Q149 PolarHBondContact O-N 3.35Å; F147-Q149 PolarHBondContact O-N 2.88Å; Q149-K153 WeakPolarHBondContact O-CB 3.27Å; Q149-K153 PolarHBondContact O-N 2.81Å
150L87.3Confident76.8Confident104 Ų104111.2 Ų111.255%0.54559%0.589SS.*Hα-helixtrans-64.9-47.1170.6-83.8174.6000111.3V145 N146 F147 K152 K153 L154V145-L150 HydrophobicContact CG1-CD1 3.47Å; V145-L150 VanDerWaalsContact CG1-CD1 3.47Å; V145-L150 HydrophobicContact CG1-CD2 4.23Å; V145-L150 HydrophobicContact CG1-CG 3.56Å; N146-L150 PolarHBondContact O-N 2.83Å; N146-L150 VanDerWaalsContact O-N 3.1Å; F147-L150 PolarHBondContact O-N 3.49Å; L150-K152 VanDerWaalsContact C-N 3.33Å; L150-K152 PolarHBondContact O-N 2.91Å; L150-K153 PolarHBondContact O-N 3.43Å; L150-L154 VanDerWaalsContact O-CB 3.3Å; L150-L154 WeakPolarHBondContact O-CB 3.48Å; L150-L154 PolarHBondContact O-N 3.29Å
151H88.5Confident79.1Confident117 Ų117105.3 Ų105.354%0.54257%0.567SS.*Hα-helixtrans-66-35.9-178.6-161.3-47000112.1F147 G155F147-H151 VanDerWaalsContact O-CB 3.3Å; F147-H151 WeakPolarHBondContact O-CB 3.22Å; F147-H151 PolarHBondContact O-N 3.48Å; H151-G155 PolarHBondContact O-N 3.33Å; H151-G155 VanDerWaalsContact O-N 3.1Å
152K92.7Very high81.7Confident125 Ų125104.8 Ų104.854%0.54356%0.556SS.*Hα-helixtrans-63.9-53.3170-176.4-176.5172-178.80110.8A148 L150 L154 G155 D156A148-K152 WeakPolarHBondContact O-CB 3.42Å; A148-K152 PolarHBondContact O-N 3.43Å; L150-K152 VanDerWaalsContact C-N 3.33Å; L150-K152 PolarHBondContact O-N 2.91Å; K152-L154 PolarHBondContact O-N 3.44Å; K152-G155 CarbonylContact O-C 3.59Å; K152-G155 WeakPolarHBondContact O-CA 3.38Å; K152-G155 PolarHBondContact O-N 3.43Å; K152-D156 WeakPolarHBondContact CE-OD1 3.42Å; K152-D156 WeakPolarHBondContact CE-OD2 3.25Å; K152-D156 VanDerWaalsContact O-CG 3.28Å; K152-D156 PolarHBondContact O-N 2.86Å
153K94.1Very high84.3Confident125 Ų125101.4 Ų101.454%0.54354%0.538SS..Hα-helixtrans-62.7-30.9-178-172169.3-176.8176.30112.5Q149 L150 L157Q149-K153 WeakPolarHBondContact O-CB 3.27Å; Q149-K153 PolarHBondContact O-N 2.81Å; L150-K153 PolarHBondContact O-N 3.43Å; K153-L157 HydrophobicContact CG-CD1 4.12Å; K153-L157 HydrophobicContact CG-CG 4.45Å; K153-L157 VanDerWaalsContact O-CB 3.28Å; K153-L157 WeakPolarHBondContact O-CB 3.4Å; K153-L157 WeakPolarHBondContact O-CD1 3.39Å; K153-L157 WeakPolarHBondContact O-CG 3.2Å; K153-L157 PolarHBondContact O-N 3.16Å
154L93.4Very high86.5Confident92 Ų92100.4 Ų100.448%0.48252%0.524SS..Hα-helixtrans-64.1-48.5170.8-17765.2000110.6L150 K152 L157 E158L150-L154 VanDerWaalsContact O-CB 3.3Å; L150-L154 WeakPolarHBondContact O-CB 3.48Å; L150-L154 PolarHBondContact O-N 3.29Å; K152-L154 PolarHBondContact O-N 3.44Å; L154-L157 CarbonylContact O-C 3.59Å; L154-L157 PolarHBondContact O-N 3.38Å; L154-E158 HydrophobicContact CD1-CG 4.5Å; L154-E158 HydrophobicContact CG-CG 4.48Å; L154-E158 WeakPolarHBondContact CG-OE1 3.41Å; L154-E158 WeakPolarHBondContact O-CB 3.45Å; L154-E158 VanDerWaalsContact O-CG 3.27Å; L154-E158 WeakPolarHBondContact O-CG 3.3Å; L154-E158 PolarHBondContact O-N 2.77Å
155G95.1Very high88.7Confident29 Ų29102.1 Ų102.130%0.29952%0.516SS..Hα-helixtrans-60.8-45.3174.800000113.6H151 K152 L157 E158 E159H151-G155 PolarHBondContact O-N 3.33Å; H151-G155 VanDerWaalsContact O-N 3.1Å; K152-G155 CarbonylContact O-C 3.59Å; K152-G155 WeakPolarHBondContact O-CA 3.38Å; K152-G155 PolarHBondContact O-N 3.43Å; G155-L157 VanDerWaalsContact C-N 3.3Å; G155-L157 PolarHBondContact O-N 3.38Å; G155-E158 PolarHBondContact O-N 2.82Å; G155-E159 PolarHBondContact O-N 2.82Å
156D95.2Very high90.7Very high80 Ų80104 Ų10443%0.42852%0.519SS..Hα-helixtrans-58.3-42.6175.4-59.4-24.4000110.5K152 E160K152-D156 WeakPolarHBondContact CE-OD1 3.42Å; K152-D156 WeakPolarHBondContact CE-OD2 3.25Å; K152-D156 VanDerWaalsContact O-CG 3.28Å; K152-D156 PolarHBondContact O-N 2.86Å; D156-E160 WeakPolarHBondContact O-CB 3.33Å; D156-E160 PolarHBondContact O-N 3.25Å
157L95Very high92.5Very high87 Ų87102.4 Ų102.446%0.45551%0.508SS..Hα-helixtrans-73.2-31.4176.8-74.6170.4000113.4K153 L154 G155 N161K153-L157 HydrophobicContact CG-CD1 4.12Å; K153-L157 HydrophobicContact CG-CG 4.45Å; K153-L157 VanDerWaalsContact O-CB 3.28Å; K153-L157 WeakPolarHBondContact O-CB 3.4Å; K153-L157 WeakPolarHBondContact O-CD1 3.39Å; K153-L157 WeakPolarHBondContact O-CG 3.2Å; K153-L157 PolarHBondContact O-N 3.16Å; L154-L157 CarbonylContact O-C 3.59Å; L154-L157 PolarHBondContact O-N 3.38Å; G155-L157 VanDerWaalsContact C-N 3.3Å; G155-L157 PolarHBondContact O-N 3.38Å; L157-N161 VanDerWaalsContact O-CB 3.26Å; L157-N161 WeakPolarHBondContact O-CB 3.43Å; L157-N161 PolarHBondContact O-N 2.8Å
158E95.7Very high93.3Very high108 Ų108101.3 Ų101.351%0.50550%0.499SS..Hα-helixtrans-68.1-42173.8-78.5171.3179.200110.6L154 G155 N161 N162L154-E158 HydrophobicContact CD1-CG 4.5Å; L154-E158 HydrophobicContact CG-CG 4.48Å; L154-E158 WeakPolarHBondContact CG-OE1 3.41Å; L154-E158 WeakPolarHBondContact O-CB 3.45Å; L154-E158 VanDerWaalsContact O-CG 3.27Å; L154-E158 WeakPolarHBondContact O-CG 3.3Å; L154-E158 PolarHBondContact O-N 2.77Å; G155-E158 PolarHBondContact O-N 2.82Å; E158-N161 PolarHBondContact O-N 3.4Å; E158-N162 WeakPolarHBondContact O-CB 3.49Å; E158-N162 VanDerWaalsContact O-CG 3.25Å; E158-N162 PolarHBondContact O-N 2.91Å; E158-N162 PolarHBondContact O-ND2 3.48Å
159E95.4Very high93.9Very high127 Ų127102.4 Ų102.459%0.59350%0.495SS*.Hα-helixtrans-63.2-47.7171.9-173.3169.8-161.900111.3G155 N161 N162 L163G155-E159 PolarHBondContact O-N 2.82Å; E159-N161 VanDerWaalsContact C-N 3.34Å; E159-N161 PolarHBondContact O-N 3.44Å; E159-N162 WeakPolarHBondContact O-CB 3.46Å; E159-N162 PolarHBondContact O-N 3.48Å; E159-N162 VanDerWaalsContact O-N 3.15Å; E159-L163 HydrophobicContact CG-CD1 4.23Å; E159-L163 WeakPolarHBondContact O-CG 3.45Å; E159-L163 PolarHBondContact O-N 3.41Å
160E95.1Very high94.5Very high104 Ų104102.9 Ų102.949%0.48649%0.491SS..Hα-helixtrans-58.9-42.7174.5-169.8-174.3168.500111.8D156 N162 L163 L164D156-E160 WeakPolarHBondContact O-CB 3.33Å; D156-E160 PolarHBondContact O-N 3.25Å; E160-N162 VanDerWaalsContact C-N 3.32Å; E160-N162 PolarHBondContact O-N 2.71Å; E160-L163 PolarHBondContact O-N 2.86Å; E160-L164 HydrophobicContact CG-CD1 4.09Å; E160-L164 HydrophobicContact CG-CG 4.42Å; E160-L164 WeakPolarHBondContact O-CB 3.42Å; E160-L164 VanDerWaalsContact O-CG 3.31Å; E160-L164 WeakPolarHBondContact O-CG 3.29Å; E160-L164 PolarHBondContact O-N 3.27Å
161N92Very high95Very high76 Ų76102.3 Ų102.341%0.40649%0.488SS..Hα-helixtrans-64.8-37.4177.3-153.2-93.7000111.8L157 E158 E159 R165L157-N161 VanDerWaalsContact O-CB 3.26Å; L157-N161 WeakPolarHBondContact O-CB 3.43Å; L157-N161 PolarHBondContact O-N 2.8Å; E158-N161 PolarHBondContact O-N 3.4Å; E159-N161 VanDerWaalsContact C-N 3.34Å; E159-N161 PolarHBondContact O-N 3.44Å; N161-R165 WeakPolarHBondContact O-CB 3.45Å; N161-R165 WeakPolarHBondContact O-CD 3.44Å; N161-R165 WeakPolarHBondContact O-CG 3.24Å; N161-R165 PolarHBondContact O-N 3.15Å; N161-R165 PolarHBondContact OD1-NE 3.12Å; N161-R165 PolarHBondContact OD1-NH2 3.33Å
162N95.8Very high95.4Very high89 Ų8999.6 Ų99.648%0.47648%0.482SS..Hα-helixtrans-66.8-42.7174.6-76.4-39.1000111.7E158 E159 E160 R165 Q166E158-N162 WeakPolarHBondContact O-CB 3.49Å; E158-N162 VanDerWaalsContact O-CG 3.25Å; E158-N162 PolarHBondContact O-N 2.91Å; E158-N162 PolarHBondContact O-ND2 3.48Å; E159-N162 WeakPolarHBondContact O-CB 3.46Å; E159-N162 PolarHBondContact O-N 3.48Å; E159-N162 VanDerWaalsContact O-N 3.15Å; E160-N162 VanDerWaalsContact C-N 3.32Å; E160-N162 PolarHBondContact O-N 2.71Å; N162-R165 WeakPolarHBondContact O-CB 3.37Å; N162-R165 PolarHBondContact O-N 2.95Å; N162-Q166 WeakPolarHBondContact O-CG 3.41Å; N162-Q166 PolarHBondContact O-N 3.39Å
163L97.2Very high95.5Very high99 Ų9997 Ų9752%0.51848%0.477SS..Hα-helixtrans-63.8-46174.9-70.4170.2000111.7E159 E160 R165 Q166 E167E159-L163 HydrophobicContact CG-CD1 4.23Å; E159-L163 WeakPolarHBondContact O-CG 3.45Å; E159-L163 PolarHBondContact O-N 3.41Å; E160-L163 PolarHBondContact O-N 2.86Å; L163-R165 VanDerWaalsContact C-N 3.28Å; L163-R165 PolarHBondContact O-N 3.25Å; L163-Q166 PolarHBondContact O-N 2.96Å; L163-Q166 VanDerWaalsContact O-N 3.17Å; L163-E167 WeakPolarHBondContact O-CB 3.48Å; L163-E167 PolarHBondContact O-N 3.45Å
164L95.7Very high95.7Very high97 Ų9792.6 Ų92.651%0.50846%0.464SS..Hα-helixtrans-64.2-30.3175.4-70.5173000112.8E160 R168E160-L164 HydrophobicContact CG-CD1 4.09Å; E160-L164 HydrophobicContact CG-CG 4.42Å; E160-L164 WeakPolarHBondContact O-CB 3.42Å; E160-L164 VanDerWaalsContact O-CG 3.31Å; E160-L164 WeakPolarHBondContact O-CG 3.29Å; E160-L164 PolarHBondContact O-N 3.27Å; L164-R168 WeakPolarHBondContact O-CB 3.34Å; L164-R168 PolarHBondContact O-N 2.99Å
165R96Very high95.8Very high128 Ų12890.3 Ų90.348%0.48346%0.458SS..Hα-helixtrans-69.6-44.1171.1-76.4167.3-174.7-1040.5111.8N161 N162 L163 R168 N169N161-R165 WeakPolarHBondContact O-CB 3.45Å; N161-R165 WeakPolarHBondContact O-CD 3.44Å; N161-R165 WeakPolarHBondContact O-CG 3.24Å; N161-R165 PolarHBondContact O-N 3.15Å; N161-R165 PolarHBondContact OD1-NE 3.12Å; N161-R165 PolarHBondContact OD1-NH2 3.33Å; N162-R165 WeakPolarHBondContact O-CB 3.37Å; N162-R165 PolarHBondContact O-N 2.95Å; L163-R165 VanDerWaalsContact C-N 3.28Å; L163-R165 PolarHBondContact O-N 3.25Å; R165-R168 PolarHBondContact O-N 2.89Å; R165-N169 WeakPolarHBondContact O-CB 3.47Å; R165-N169 PolarHBondContact O-N 3.2Å; R165-N169 PolarHBondContact O-OD1 3.13Å
166Q96.2Very high95.8Very high126 Ų12693.2 Ų93.259%0.58947%0.467SS*.Hα-helixtrans-62-44.5175.4-70.9173.136.800110.9N162 L163 N169 R170N162-Q166 WeakPolarHBondContact O-CG 3.41Å; N162-Q166 PolarHBondContact O-N 3.39Å; L163-Q166 PolarHBondContact O-N 2.96Å; L163-Q166 VanDerWaalsContact O-N 3.17Å; Q166-N169 PolarHBondContact O-N 3.22Å; Q166-R170 WeakPolarHBondContact O-CB 3.33Å; Q166-R170 PolarHBondContact O-N 3.09Å
167E96Very high95.9Very high76 Ų7696 Ų9636%0.35548%0.477SS..Hα-helixtrans-66.8-40.5177.9-177.459.2-169.300112.2L163 N169 R170 L171L163-E167 WeakPolarHBondContact O-CB 3.48Å; L163-E167 PolarHBondContact O-N 3.45Å; E167-N169 VanDerWaalsContact C-N 3.33Å; E167-N169 PolarHBondContact O-N 3.49Å; E167-R170 PolarHBondContact O-N 2.85Å; E167-R170 IonicContact OE1-CZ 3.49Å; E167-R170 IonicContact OE1-NE 3.48Å; E167-R170 PolarHBondContact OE1-NE 3.2Å; E167-R170 IonicContact OE1-NH2 2.69Å; E167-R170 PolarHBondContact OE1-NH2 3.04Å; E167-R170 IonicContact OE2-CZ 3.57Å; E167-R170 IonicContact OE2-NE 2.76Å; E167-R170 PolarHBondContact OE2-NE 3.19Å; E167-R170 IonicContact OE2-NH2 3.53Å; E167-L171 HydrophobicContact CG-CD1 4.09Å; E167-L171 WeakPolarHBondContact O-CB 3.49Å; E167-L171 VanDerWaalsContact O-CG 3.32Å; E167-L171 WeakPolarHBondContact O-CG 3.38Å; E167-L171 PolarHBondContact O-N 3.27Å
168R96.1Very high95.9Very high142 Ų14297.4 Ų97.454%0.53649%0.485SS..Hα-helixtrans-59-45.2170.8-169.2-153.5-55.8104.84.9111.3L164 R165 R170 L171 S172L164-R168 WeakPolarHBondContact O-CB 3.34Å; L164-R168 PolarHBondContact O-N 2.99Å; R165-R168 PolarHBondContact O-N 2.89Å; R168-R170 VanDerWaalsContact C-N 3.34Å; R168-L171 PolarHBondContact O-N 2.86Å; R168-S172 WeakPolarHBondContact O-CB 3.24Å; R168-S172 PolarHBondContact O-N 3Å
169N95.5Very high95.9Very high98 Ų9896.7 Ų96.752%0.52448%0.484SS..Hα-helixtrans-65-40.9179.9-67.5-0.5000110.9R165 Q166 E167 S172 T173R165-N169 WeakPolarHBondContact O-CB 3.47Å; R165-N169 PolarHBondContact O-N 3.2Å; R165-N169 PolarHBondContact O-OD1 3.13Å; Q166-N169 PolarHBondContact O-N 3.22Å; E167-N169 VanDerWaalsContact C-N 3.33Å; E167-N169 PolarHBondContact O-N 3.49Å; N169-S172 WeakPolarHBondContact O-CB 3.32Å; N169-S172 PolarHBondContact O-N 3.12Å; N169-T173 PolarHBondContact O-N 3.44Å; N169-T173 PolarHBondContact O-OG1 3.45Å
170R97.5Very high95.9Very high131 Ų13196.9 Ų96.949%0.49449%0.485SS..Hα-helixtrans-61.5-46.1174.9-167.8-165.870.174-0.3111.8Q166 E167 R168 T173 A174Q166-R170 WeakPolarHBondContact O-CB 3.33Å; Q166-R170 PolarHBondContact O-N 3.09Å; E167-R170 PolarHBondContact O-N 2.85Å; E167-R170 IonicContact OE1-CZ 3.49Å; E167-R170 IonicContact OE1-NE 3.48Å; E167-R170 PolarHBondContact OE1-NE 3.2Å; E167-R170 IonicContact OE1-NH2 2.69Å; E167-R170 PolarHBondContact OE1-NH2 3.04Å; E167-R170 IonicContact OE2-CZ 3.57Å; E167-R170 IonicContact OE2-NE 2.76Å; E167-R170 PolarHBondContact OE2-NE 3.19Å; E167-R170 IonicContact OE2-NH2 3.53Å; R168-R170 VanDerWaalsContact C-N 3.34Å; R170-T173 PolarHBondContact O-N 3.16Å; R170-T173 PolarHBondContact O-OG1 3.37Å; R170-A174 WeakPolarHBondContact O-CB 3.35Å; R170-A174 PolarHBondContact O-N 3.27Å
171L95.9Very high95.9Very high93 Ų9397.1 Ų97.149%0.48749%0.486SS..Hα-helixtrans-66.5-37.2176.4-72171.1000112.1E167 R168 A174 A175E167-L171 HydrophobicContact CG-CD1 4.09Å; E167-L171 WeakPolarHBondContact O-CB 3.49Å; E167-L171 VanDerWaalsContact O-CG 3.32Å; E167-L171 WeakPolarHBondContact O-CG 3.38Å; E167-L171 PolarHBondContact O-N 3.27Å; R168-L171 PolarHBondContact O-N 2.86Å; L171-A174 PolarHBondContact O-N 2.71Å; L171-A175 WeakPolarHBondContact O-CB 3.3Å; L171-A175 PolarHBondContact O-N 3.31Å
172S97.3Very high96Very high59 Ų5999.4 Ų99.441%0.41349%0.494SS..Hα-helixtrans-59.6-54.8172.6-165.10000110.4R168 N169 A174 A175 D176R168-S172 WeakPolarHBondContact O-CB 3.24Å; R168-S172 PolarHBondContact O-N 3Å; N169-S172 WeakPolarHBondContact O-CB 3.32Å; N169-S172 PolarHBondContact O-N 3.12Å; S172-A174 PolarHBondContact O-N 3Å; S172-A175 WeakPolarHBondContact O-CB 3.43Å; S172-A175 PolarHBondContact O-N 2.74Å; S172-D176 PolarHBondContact O-N 2.85Å; S172-D176 VanDerWaalsContact O-OD2 3.06Å
173T95.9Very high96Very high71 Ų7198.5 Ų98.544%0.43649%0.492SS..Hα-helixtrans-63.7-28.6-18054.10000113.5N169 R170 Q177N169-T173 PolarHBondContact O-N 3.44Å; N169-T173 PolarHBondContact O-OG1 3.45Å; R170-T173 PolarHBondContact O-N 3.16Å; R170-T173 PolarHBondContact O-OG1 3.37Å; T173-Q177 WeakPolarHBondContact O-CB 3.41Å; T173-Q177 WeakPolarHBondContact O-CG 3.44Å; T173-Q177 PolarHBondContact O-N 2.93Å
174A97Very high96Very high32 Ų3295.2 Ų95.226%0.26448%0.479SS..Hα-helixtrans-74.5-36.1174.300000112R170 L171 S172 L178R170-A174 WeakPolarHBondContact O-CB 3.35Å; R170-A174 PolarHBondContact O-N 3.27Å; L171-A174 PolarHBondContact O-N 2.71Å; S172-A174 PolarHBondContact O-N 3Å; A174-L178 WeakPolarHBondContact O-CG 3.28Å; A174-L178 PolarHBondContact O-N 2.87Å; A174-L178 VanDerWaalsContact O-N 3.12Å
175A95.3Very high96Very high44 Ų4495.4 Ų95.436%0.36448%0.48SS..Hα-helixtrans-66-48.7171.900000110.8L171 S172 Q177 L178 D179L171-A175 WeakPolarHBondContact O-CB 3.3Å; L171-A175 PolarHBondContact O-N 3.31Å; S172-A175 WeakPolarHBondContact O-CB 3.43Å; S172-A175 PolarHBondContact O-N 2.74Å; A175-Q177 PolarHBondContact O-N 3.29Å; A175-L178 PolarHBondContact O-N 3.38Å; A175-D179 PolarHBondContact O-N 3.5Å
176D96.3Very high96.1Very high90 Ų9093.5 Ų93.548%0.48148%0.482SS..Hα-helixtrans-54.7-39.4177.2-58.3-38.3000111.7S172 E180S172-D176 PolarHBondContact O-N 2.85Å; S172-D176 VanDerWaalsContact O-OD2 3.06Å; D176-E180 WeakPolarHBondContact O-CB 3.47Å; D176-E180 PolarHBondContact O-N 2.89Å
177Q97Very high96.1Very high139 Ų13993.3 Ų93.365%0.6548%0.476SS*.Hα-helixtrans-70.6-35.5175.8-75.4171.119.800113.8T173 A175 H181T173-Q177 WeakPolarHBondContact O-CB 3.41Å; T173-Q177 WeakPolarHBondContact O-CG 3.44Å; T173-Q177 PolarHBondContact O-N 2.93Å; A175-Q177 PolarHBondContact O-N 3.29Å; Q177-H181 WeakPolarHBondContact O-CB 3.47Å; Q177-H181 PolarHBondContact O-N 2.94Å; Q177-H181 VanDerWaalsContact O-N 3.09Å
178L95Very high96.1Very high116 Ų11692.5 Ų92.561%0.60747%0.474SS*.Hα-helixtrans-71.4-38.9175.5-73171.6000111.2A174 A175 H181 E182A174-L178 WeakPolarHBondContact O-CG 3.28Å; A174-L178 PolarHBondContact O-N 2.87Å; A174-L178 VanDerWaalsContact O-N 3.12Å; A175-L178 PolarHBondContact O-N 3.38Å; L178-H181 PolarHBondContact O-N 3.5Å; L178-E182 WeakPolarHBondContact O-CB 3.36Å; L178-E182 PolarHBondContact O-N 2.96Å
179D95.3Very high96.1Very high93 Ų9389.6 Ų89.650%0.49748%0.475SS..Hα-helixtrans-65.7-42.5175.2-69-2.6000111.2A175 H181 E182 T183A175-D179 PolarHBondContact O-N 3.5Å; D179-H181 VanDerWaalsContact C-N 3.33Å; D179-H181 PolarHBondContact O-N 2.87Å; D179-E182 PolarHBondContact O-N 2.88Å; D179-T183 VanDerWaalsContact O-CG2 3.29Å; D179-T183 WeakPolarHBondContact O-CG2 3.42Å; D179-T183 PolarHBondContact O-N 3.46Å; D179-T183 PolarHBondContact O-OG1 3.47Å
180E95.3Very high96.2Very high131 Ų13187.1 Ų87.161%0.61247%0.468SS*.Hα-helixtrans-58.3-44.2171.7-179.187.9-115.500111.2D176 T183 A184 R187D176-E180 WeakPolarHBondContact O-CB 3.47Å; D176-E180 PolarHBondContact O-N 2.89Å; E180-T183 PolarHBondContact O-OG1 3.46Å; E180-A184 WeakPolarHBondContact O-CB 3.22Å; E180-A184 PolarHBondContact O-N 2.98Å; E180-R187 IonicContact OE1-NH2 2.71Å
181H96.3Very high96.2Very high110 Ų11088.3 Ų88.351%0.50947%0.473SS..Hα-helixtrans-67.6-42.7177.1173.1-96.4000112.9Q177 L178 D179 A184 L185Q177-H181 WeakPolarHBondContact O-CB 3.47Å; Q177-H181 PolarHBondContact O-N 2.94Å; Q177-H181 VanDerWaalsContact O-N 3.09Å; L178-H181 PolarHBondContact O-N 3.5Å; D179-H181 VanDerWaalsContact C-N 3.33Å; D179-H181 PolarHBondContact O-N 2.87Å; H181-A184 WeakPolarHBondContact O-CB 3.16Å; H181-A184 PolarHBondContact O-N 3.34Å; H181-L185 WeakPolarHBondContact CE1-CD1 3.36Å; H181-L185 PolarHBondContact O-N 2.84Å
182E94.2Very high96.3Very high124 Ų12490.5 Ų90.558%0.57948%0.48SS*.Hα-helixtrans-62.5-47.3175.7-175.5175163.500110.7L178 D179 A184 L185 V186L178-E182 WeakPolarHBondContact O-CB 3.36Å; L178-E182 PolarHBondContact O-N 2.96Å; D179-E182 PolarHBondContact O-N 2.88Å; E182-A184 PolarHBondContact O-N 3.44Å; E182-L185 PolarHBondContact O-N 2.82Å; E182-V186 HydrophobicContact CG-CG2 4.38Å; E182-V186 WeakPolarHBondContact O-CG2 3.02Å; E182-V186 PolarHBondContact O-N 3.48Å
183T95.4Very high96.2Very high69 Ų6992.6 Ų92.642%0.42349%0.486SS..Hα-helixtrans-63.8-29.1176.565.20000112.4D179 E180 R187D179-T183 VanDerWaalsContact O-CG2 3.29Å; D179-T183 WeakPolarHBondContact O-CG2 3.42Å; D179-T183 PolarHBondContact O-N 3.46Å; D179-T183 PolarHBondContact O-OG1 3.47Å; E180-T183 PolarHBondContact O-OG1 3.46Å; T183-R187 WeakPolarHBondContact O-CB 3.21Å; T183-R187 VanDerWaalsContact O-CG 3.25Å; T183-R187 WeakPolarHBondContact O-CG 3.27Å; T183-R187 PolarHBondContact O-N 3.23Å; T183-R187 PolarHBondContact O-NE 3.41Å; T183-R187 PolarHBondContact OG1-NH2 3.18Å; T183-R187 VanDerWaalsContact OG1-NH2 3.16Å
184A96.3Very high96.3Very high30 Ų3094.2 Ų94.225%0.24849%0.491CS..Hα-helixtrans-68.3-46.1172.500000112.2E180 H181 E182 V186 R187 D188E180-A184 WeakPolarHBondContact O-CB 3.22Å; E180-A184 PolarHBondContact O-N 2.98Å; H181-A184 WeakPolarHBondContact O-CB 3.16Å; H181-A184 PolarHBondContact O-N 3.34Å; E182-A184 PolarHBondContact O-N 3.44Å; A184-V186 PolarHBondContact O-N 2.84Å; A184-R187 VanDerWaalsContact CA-CZ 3.46Å; A184-R187 WeakPolarHBondContact O-CB 3.38Å; A184-R187 PolarHBondContact O-N 2.89Å; A184-D188 PolarHBondContact O-N 2.91Å
185L96.5Very high96.2Very high101 Ų10196.2 Ų96.253%0.52950%0.5SS..Hα-helixtrans-63.5-39.6174.5-70.4-178000112.4H181 E182 D188 C189H181-L185 WeakPolarHBondContact CE1-CD1 3.36Å; H181-L185 PolarHBondContact O-N 2.84Å; E182-L185 PolarHBondContact O-N 2.82Å; L185-D188 PolarHBondContact O-N 3.44Å; L185-C189 VanDerWaalsContact O-CB 3.32Å; L185-C189 WeakPolarHBondContact O-CB 3.32Å; L185-C189 PolarHBondContact O-N 3.03Å
186V97.5Very high96.3Very high88 Ų8896.1 Ų96.153%0.53350%0.5SS..Hα-helixtrans-64.4-42.8175171.20000111E182 A184 D188 C189 A190E182-V186 HydrophobicContact CG-CG2 4.38Å; E182-V186 WeakPolarHBondContact O-CG2 3.02Å; E182-V186 PolarHBondContact O-N 3.48Å; A184-V186 PolarHBondContact O-N 2.84Å; V186-D188 VanDerWaalsContact C-N 3.31Å; V186-D188 PolarHBondContact O-N 2.84Å; V186-C189 PolarHBondContact O-N 3.29Å; V186-A190 WeakPolarHBondContact O-CB 3.03Å; V186-A190 PolarHBondContact O-N 2.73Å
187R96.3Very high96.4Very high123 Ų12395.4 Ų95.446%0.46450%0.496SS..Hα-helixtrans-58-43.4172.4-82.3175.4-83.4133.6-14.8111.4E180 T183 A184 A190 R191E180-R187 IonicContact OE1-NH2 2.71Å; T183-R187 WeakPolarHBondContact O-CB 3.21Å; T183-R187 VanDerWaalsContact O-CG 3.25Å; T183-R187 WeakPolarHBondContact O-CG 3.27Å; T183-R187 PolarHBondContact O-N 3.23Å; T183-R187 PolarHBondContact O-NE 3.41Å; T183-R187 PolarHBondContact OG1-NH2 3.18Å; T183-R187 VanDerWaalsContact OG1-NH2 3.16Å; A184-R187 VanDerWaalsContact CA-CZ 3.46Å; A184-R187 WeakPolarHBondContact O-CB 3.38Å; A184-R187 PolarHBondContact O-N 2.89Å; R187-A190 PolarHBondContact O-N 3.41Å; R187-R191 WeakPolarHBondContact O-CG 3.34Å; R187-R191 PolarHBondContact O-N 3.45Å
188D96.9Very high96.3Very high58 Ų5893.4 Ų93.431%0.3149%0.487SS..Hα-helixtrans-73.5-38-177.4-78.711.7000113A184 L185 V186 R191 Q192A184-D188 PolarHBondContact O-N 2.91Å; L185-D188 PolarHBondContact O-N 3.44Å; V186-D188 VanDerWaalsContact C-N 3.31Å; V186-D188 PolarHBondContact O-N 2.84Å; D188-R191 PolarHBondContact O-N 3.31Å; D188-R191 IonicContact OD1-CZ 3.18Å; D188-R191 VanDerWaalsContact OD1-CZ 3.26Å; D188-R191 IonicContact OD1-NE 2.66Å; D188-R191 PolarHBondContact OD1-NE 3.37Å; D188-R191 VanDerWaalsContact OD1-NE 3.08Å; D188-R191 IonicContact OD1-NH2 3.13Å; D188-R191 PolarHBondContact OD1-NH2 2.95Å; D188-R191 IonicContact OD2-NH2 3.71Å; D188-R191 PolarHBondContact OD2-NH2 3.23Å; D188-Q192 WeakPolarHBondContact O-CB 3.32Å; D188-Q192 VanDerWaalsContact O-CG 3.28Å; D188-Q192 WeakPolarHBondContact O-CG 3.47Å; D188-Q192 PolarHBondContact O-N 2.95Å
189C95.9Very high96.4Very high82 Ų8293.1 Ų93.155%0.55448%0.483SS*.Hα-helixtrans-59.6-46.2168.9-175.50000111.2L185 V186 R191 Q192 L193L185-C189 VanDerWaalsContact O-CB 3.32Å; L185-C189 WeakPolarHBondContact O-CB 3.32Å; L185-C189 PolarHBondContact O-N 3.03Å; V186-C189 PolarHBondContact O-N 3.29Å; C189-R191 PolarHBondContact O-N 2.9Å; C189-Q192 PolarHBondContact O-N 2.92Å; C189-L193 WeakPolarHBondContact O-CB 3.32Å; C189-L193 PolarHBondContact O-N 3.39Å
190A97.5Very high96.5Very high45 Ų4593.5 Ų93.537%0.37248%0.484SS..Hα-helixtrans-62.5-42.8176.400000112.4V186 R187 L193 I194V186-A190 WeakPolarHBondContact O-CB 3.03Å; V186-A190 PolarHBondContact O-N 2.73Å; R187-A190 PolarHBondContact O-N 3.41Å; A190-L193 PolarHBondContact O-N 3.46Å; A190-I194 WeakPolarHBondContact O-CD1 3.25Å; A190-I194 VanDerWaalsContact O-CG1 3.25Å; A190-I194 WeakPolarHBondContact O-CG1 3.34Å; A190-I194 PolarHBondContact O-N 3.02Å
191R97.2Very high96.6Very high157 Ų15793.9 Ų93.959%0.59248%0.48SS*.Hα-helixtrans-59.5-48.7173.9-72.5-167.8-60.6147.6-4.2111.4R187 D188 C189 L193 I194 T195R187-R191 WeakPolarHBondContact O-CG 3.34Å; R187-R191 PolarHBondContact O-N 3.45Å; D188-R191 PolarHBondContact O-N 3.31Å; D188-R191 IonicContact OD1-CZ 3.18Å; D188-R191 VanDerWaalsContact OD1-CZ 3.26Å; D188-R191 IonicContact OD1-NE 2.66Å; D188-R191 PolarHBondContact OD1-NE 3.37Å; D188-R191 VanDerWaalsContact OD1-NE 3.08Å; D188-R191 IonicContact OD1-NH2 3.13Å; D188-R191 PolarHBondContact OD1-NH2 2.95Å; D188-R191 IonicContact OD2-NH2 3.71Å; D188-R191 PolarHBondContact OD2-NH2 3.23Å; C189-R191 PolarHBondContact O-N 2.9Å; R191-L193 PolarHBondContact O-N 3.46Å; R191-I194 PolarHBondContact O-N 2.97Å; R191-T195 PolarHBondContact O-N 3.4Å; R191-T195 PolarHBondContact O-OG1 3.08Å; R191-T195 VanDerWaalsContact O-OG1 3.12Å
192Q97.4Very high96.6Very high138 Ų13892.6 Ų92.665%0.64548%0.476SS*.Hα-helixtrans-62.1-41.8178.6-72.3175.352.600112D188 C189 T195 A196D188-Q192 WeakPolarHBondContact O-CB 3.32Å; D188-Q192 VanDerWaalsContact O-CG 3.28Å; D188-Q192 WeakPolarHBondContact O-CG 3.47Å; D188-Q192 PolarHBondContact O-N 2.95Å; C189-Q192 PolarHBondContact O-N 2.92Å; Q192-T195 PolarHBondContact O-N 3.48Å; Q192-A196 WeakPolarHBondContact O-CB 3.38Å; Q192-A196 PolarHBondContact O-N 3.32Å
193L95.6Very high96.7Very high103 Ų10392.5 Ų92.554%0.53948%0.48SS..Hα-helixtrans-64.6-40.6176.6-177.161.8000112.1C189 A190 R191 N197C189-L193 WeakPolarHBondContact O-CB 3.32Å; C189-L193 PolarHBondContact O-N 3.39Å; A190-L193 PolarHBondContact O-N 3.46Å; R191-L193 PolarHBondContact O-N 3.46Å; L193-N197 VanDerWaalsContact O-CB 3.29Å; L193-N197 WeakPolarHBondContact O-CB 3.4Å; L193-N197 VanDerWaalsContact O-CG 3.22Å; L193-N197 PolarHBondContact O-N 3.48Å; L193-N197 PolarHBondContact O-ND2 3.44Å
194I97.1Very high96.8Very high106 Ų10692.3 Ų92.354%0.54448%0.481SS..Hα-helixtrans-62.8-46.7174.2-69.6163.7000110.4A190 R191 N197 M198A190-I194 WeakPolarHBondContact O-CD1 3.25Å; A190-I194 VanDerWaalsContact O-CG1 3.25Å; A190-I194 WeakPolarHBondContact O-CG1 3.34Å; A190-I194 PolarHBondContact O-N 3.02Å; R191-I194 PolarHBondContact O-N 2.97Å; I194-N197 PolarHBondContact O-N 3.11Å; I194-M198 WeakPolarHBondContact O-CG 3.22Å; I194-M198 PolarHBondContact O-N 3.26Å
195T96.8Very high96.8Very high73 Ų7394.5 Ų94.545%0.44849%0.489SS..Hα-helixtrans-61-46.7177.1-62.30000111.7R191 Q192 N197 M198 H199R191-T195 PolarHBondContact O-N 3.4Å; R191-T195 PolarHBondContact O-OG1 3.08Å; R191-T195 VanDerWaalsContact O-OG1 3.12Å; Q192-T195 PolarHBondContact O-N 3.48Å; T195-N197 PolarHBondContact O-N 3.25Å; T195-M198 WeakPolarHBondContact O-CB 3.38Å; T195-M198 PolarHBondContact O-N 3Å; T195-M198 VanDerWaalsContact O-N 3.15Å; T195-H199 WeakPolarHBondContact CG2-NE2 3.48Å; T195-H199 PolarHBondContact O-CD2 3.48Å; T195-H199 PolarHBondContact O-N 2.9Å
196A96.8Very high96.8Very high43 Ų4393.9 Ų93.936%0.35548%0.483SS..Hα-helixtrans-60.5-43.2175.500000112Q192 M198 H199 I200Q192-A196 WeakPolarHBondContact O-CB 3.38Å; Q192-A196 PolarHBondContact O-N 3.32Å; A196-M198 VanDerWaalsContact C-N 3.31Å; A196-M198 PolarHBondContact O-N 3.25Å; A196-H199 PolarHBondContact O-N 3.23Å; A196-H199 VanDerWaalsContact O-N 3.16Å; A196-I200 WeakPolarHBondContact O-CG1 3.43Å; A196-I200 PolarHBondContact O-N 2.84Å
197N97.3Very high96.8Very high74 Ų7495.6 Ų95.640%0.39649%0.489SS..Hα-helixtrans-64.6-32.9174.9-76.5-38.7000112.8L193 I194 T195 R201L193-N197 VanDerWaalsContact O-CB 3.29Å; L193-N197 WeakPolarHBondContact O-CB 3.4Å; L193-N197 VanDerWaalsContact O-CG 3.22Å; L193-N197 PolarHBondContact O-N 3.48Å; L193-N197 PolarHBondContact O-ND2 3.44Å; I194-N197 PolarHBondContact O-N 3.11Å; T195-N197 PolarHBondContact O-N 3.25Å; N197-R201 WeakPolarHBondContact O-CB 3.42Å; N197-R201 PolarHBondContact O-N 2.89Å
198M95.6Very high96.8Very high97 Ų9791.8 Ų91.848%0.47848%0.483SS..Hα-helixtrans-67.2-42.2170.1-73.7-167.969.700112I194 T195 A196 R201 N202I194-M198 WeakPolarHBondContact O-CG 3.22Å; I194-M198 PolarHBondContact O-N 3.26Å; T195-M198 WeakPolarHBondContact O-CB 3.38Å; T195-M198 PolarHBondContact O-N 3Å; T195-M198 VanDerWaalsContact O-N 3.15Å; A196-M198 VanDerWaalsContact C-N 3.31Å; A196-M198 PolarHBondContact O-N 3.25Å; M198-R201 PolarHBondContact O-N 3.21Å; M198-N202 WeakPolarHBondContact O-CB 3.4Å; M198-N202 PolarHBondContact O-N 3.18Å; M198-N202 PolarHBondContact O-OD1 3.37Å
199H97.5Very high96.7Very high110 Ų11094.8 Ų94.851%0.50949%0.493SS..Hα-helixtrans-62.6-42.6174.3-68.8-61000112.3T195 A196 R201 N202 L203T195-H199 WeakPolarHBondContact CG2-NE2 3.48Å; T195-H199 PolarHBondContact O-CD2 3.48Å; T195-H199 PolarHBondContact O-N 2.9Å; A196-H199 PolarHBondContact O-N 3.23Å; A196-H199 VanDerWaalsContact O-N 3.16Å; H199-R201 VanDerWaalsContact C-N 3.34Å; H199-R201 PolarHBondContact O-N 2.87Å; H199-N202 PolarHBondContact O-N 3.32Å; H199-L203 WeakPolarHBondContact O-CB 3.37Å; H199-L203 VanDerWaalsContact O-CG 3.29Å; H199-L203 WeakPolarHBondContact O-CG 3.28Å; H199-L203 PolarHBondContact O-N 3.49Å
200I97Very high96.8Very high101 Ų10198 Ų9852%0.51850%0.498SS..Hα-helixtrans-61.3-42.8175.1-67.9164.5000110.8A196 L203 S204A196-I200 WeakPolarHBondContact O-CG1 3.43Å; A196-I200 PolarHBondContact O-N 2.84Å; I200-L203 PolarHBondContact O-N 3.43Å; I200-S204 WeakPolarHBondContact O-CB 3.41Å; I200-S204 PolarHBondContact O-N 3.26Å; I200-S204 PolarHBondContact O-OG 2.95Å
201R96.5Very high96.7Very high139 Ų13998.8 Ų98.853%0.52550%0.501SS..Hα-helixtrans-62.1-50.8175.4-172-179.1-61.9107.11.4111.3N197 M198 H199 L203 S204 D205N197-R201 WeakPolarHBondContact O-CB 3.42Å; N197-R201 PolarHBondContact O-N 2.89Å; M198-R201 PolarHBondContact O-N 3.21Å; H199-R201 VanDerWaalsContact C-N 3.34Å; H199-R201 PolarHBondContact O-N 2.87Å; R201-L203 VanDerWaalsContact C-N 3.31Å; R201-L203 PolarHBondContact O-N 2.99Å; R201-S204 CarbonylContact O-C 3.57Å; R201-S204 WeakPolarHBondContact O-CA 3.45Å; R201-S204 WeakPolarHBondContact O-CB 3.34Å; R201-S204 PolarHBondContact O-N 3.16Å; R201-D205 VanDerWaalsContact O-CG 3.31Å; R201-D205 PolarHBondContact O-N 2.96Å
202N96.9Very high96.6Very high83 Ų8396 Ų9644%0.44450%0.497SS..Hα-helixtrans-58.8-41.9178.9-66.51.1000111.9M198 H199 S204 D205 E206M198-N202 WeakPolarHBondContact O-CB 3.4Å; M198-N202 PolarHBondContact O-N 3.18Å; M198-N202 PolarHBondContact O-OD1 3.37Å; H199-N202 PolarHBondContact O-N 3.32Å; N202-S204 VanDerWaalsContact C-N 3.33Å; N202-D205 PolarHBondContact O-N 3.3Å; N202-E206 WeakPolarHBondContact O-CB 3.25Å; N202-E206 WeakPolarHBondContact O-CG 3.25Å; N202-E206 PolarHBondContact O-N 2.96Å
203L97.2Very high96.5Very high123 Ų12391.6 Ų91.664%0.64449%0.485SS*.Hα-helixtrans-66.6-33.9175.3-71.7172.6000112.5H199 I200 R201 L207H199-L203 WeakPolarHBondContact O-CB 3.37Å; H199-L203 VanDerWaalsContact O-CG 3.29Å; H199-L203 WeakPolarHBondContact O-CG 3.28Å; H199-L203 PolarHBondContact O-N 3.49Å; I200-L203 PolarHBondContact O-N 3.43Å; R201-L203 VanDerWaalsContact C-N 3.31Å; R201-L203 PolarHBondContact O-N 2.99Å; L203-L207 VanDerWaalsContact O-CB 3.29Å; L203-L207 WeakPolarHBondContact O-CB 3.36Å; L203-L207 PolarHBondContact O-N 2.86Å
204S97Very high96.5Very high65 Ų6592.6 Ų92.646%0.45549%0.485SS..Hα-helixtrans-68.3-42.2174.5-56.50000111.4I200 R201 N202 L207 A208I200-S204 WeakPolarHBondContact O-CB 3.41Å; I200-S204 PolarHBondContact O-N 3.26Å; I200-S204 PolarHBondContact O-OG 2.95Å; R201-S204 CarbonylContact O-C 3.57Å; R201-S204 WeakPolarHBondContact O-CA 3.45Å; R201-S204 WeakPolarHBondContact O-CB 3.34Å; R201-S204 PolarHBondContact O-N 3.16Å; N202-S204 VanDerWaalsContact C-N 3.33Å; S204-L207 PolarHBondContact O-N 3.13Å; S204-A208 WeakPolarHBondContact O-CB 3.29Å; S204-A208 PolarHBondContact O-N 2.88Å
205D96.5Very high96.3Very high76 Ų7692.9 Ų92.941%0.40649%0.486SS..Hα-helixtrans-66.2-40.2176.5-63.2-23.5000111.1R201 N202 A208 K209R201-D205 VanDerWaalsContact O-CG 3.31Å; R201-D205 PolarHBondContact O-N 2.96Å; N202-D205 PolarHBondContact O-N 3.3Å; D205-A208 PolarHBondContact O-N 3.14Å; D205-K209 VanDerWaalsContact O-CG 3.26Å; D205-K209 WeakPolarHBondContact O-CG 3.47Å; D205-K209 PolarHBondContact O-N 3.06Å
206E96.6Very high96.3Very high87 Ų8794.6 Ų94.641%0.40749%0.492SS..Hα-helixtrans-68-34.1173.4-71.7-56.1124.900112.8N202 K209 K210N202-E206 WeakPolarHBondContact O-CB 3.25Å; N202-E206 WeakPolarHBondContact O-CG 3.25Å; N202-E206 PolarHBondContact O-N 2.96Å; E206-K209 WeakPolarHBondContact OE1-CD 3.29Å; E206-K209 IonicContact OE1-NZ 2.72Å; E206-K209 PolarHBondContact OE1-NZ 2.88Å; E206-K210 WeakPolarHBondContact O-CB 3.41Å; E206-K210 VanDerWaalsContact O-CG 3.32Å; E206-K210 WeakPolarHBondContact O-CG 3.38Å; E206-K210 PolarHBondContact O-N 3.36Å
207L96.4Very high96.3Very high125 Ų12598.6 Ų98.665%0.65450%0.503SS*.Hα-helixtrans-67.9-41.2172.7-174.8148.9000111.1L203 S204 K210 S211L203-L207 VanDerWaalsContact O-CB 3.29Å; L203-L207 WeakPolarHBondContact O-CB 3.36Å; L203-L207 PolarHBondContact O-N 2.86Å; S204-L207 PolarHBondContact O-N 3.13Å; L207-K210 PolarHBondContact O-N 2.96Å; L207-S211 WeakPolarHBondContact O-CB 3.48Å; L207-S211 PolarHBondContact O-N 2.95Å
208A96.2Very high96.3Very high43 Ų4399 Ų9936%0.35550%0.503SS..Hα-helixtrans-61.1-51.8174.100000111.3S204 D205 K210 S211 D212S204-A208 WeakPolarHBondContact O-CB 3.29Å; S204-A208 PolarHBondContact O-N 2.88Å; D205-A208 PolarHBondContact O-N 3.14Å; A208-K210 VanDerWaalsContact C-N 3.29Å; A208-K210 PolarHBondContact O-N 3.02Å; A208-S211 WeakPolarHBondContact O-CA 3.48Å; A208-S211 WeakPolarHBondContact O-CB 3.47Å; A208-S211 PolarHBondContact O-N 2.99Å; A208-D212 PolarHBondContact O-N 2.92Å
209K96.7Very high96.2Very high120 Ų12097.6 Ų97.652%0.52250%0.503SS..Hα-helixtrans-55.6-40.7175.6-69.7168.7-161.5171.20112.8D205 E206 A213D205-K209 VanDerWaalsContact O-CG 3.26Å; D205-K209 WeakPolarHBondContact O-CG 3.47Å; D205-K209 PolarHBondContact O-N 3.06Å; E206-K209 WeakPolarHBondContact OE1-CD 3.29Å; E206-K209 IonicContact OE1-NZ 2.72Å; E206-K209 PolarHBondContact OE1-NZ 2.88Å; K209-A213 VanDerWaalsContact O-CB 3.3Å; K209-A213 WeakPolarHBondContact O-CB 3.46Å; K209-A213 PolarHBondContact O-N 3.09Å
210K96.4Very high96.2Very high151 Ų15196 Ų9666%0.65750%0.495SS*.Hα-helixtrans-69.5-37.8176.1-76.9177.8-179.2177.70112.5E206 L207 A208 F214E206-K210 WeakPolarHBondContact O-CB 3.41Å; E206-K210 VanDerWaalsContact O-CG 3.32Å; E206-K210 WeakPolarHBondContact O-CG 3.38Å; E206-K210 PolarHBondContact O-N 3.36Å; L207-K210 PolarHBondContact O-N 2.96Å; A208-K210 VanDerWaalsContact C-N 3.29Å; A208-K210 PolarHBondContact O-N 3.02Å; K210-F214 WeakPolarHBondContact O-CB 3.45Å; K210-F214 PolarHBondContact O-N 3.34Å
211S96Very high96.2Very high61 Ų6195.4 Ų95.443%0.42749%0.492SS..Hα-helixtrans-62.5-46.1173.3-175.30000111.1L207 A208 F214 M215L207-S211 WeakPolarHBondContact O-CB 3.48Å; L207-S211 PolarHBondContact O-N 2.95Å; A208-S211 WeakPolarHBondContact O-CA 3.48Å; A208-S211 WeakPolarHBondContact O-CB 3.47Å; A208-S211 PolarHBondContact O-N 2.99Å; S211-F214 PolarHBondContact O-N 3.48Å; S211-M215 WeakPolarHBondContact O-CG 3.45Å; S211-M215 PolarHBondContact O-N 3.32Å
212D95.5Very high96.2Very high97 Ų9792 Ų9252%0.51949%0.487SS..Hα-helixtrans-65.5-41.5177.8-65.6-21.5000111.6A208 F214 M215 N216A208-D212 PolarHBondContact O-N 2.92Å; D212-F214 VanDerWaalsContact C-N 3.34Å; D212-F214 PolarHBondContact O-N 3.39Å; D212-M215 PolarHBondContact O-N 3.37Å; D212-N216 WeakPolarHBondContact O-CB 3.35Å; D212-N216 VanDerWaalsContact O-CG 3.25Å; D212-N216 PolarHBondContact O-N 3.01Å; D212-N216 PolarHBondContact O-ND2 3.18Å; D212-N216 VanDerWaalsContact O-ND2 3.17Å
213A95.5Very high96.2Very high47 Ų4794 Ų9439%0.38849%0.488SS..Hα-helixtrans-61.8-40.6173.500000112.3K209 N216 Q217K209-A213 VanDerWaalsContact O-CB 3.3Å; K209-A213 WeakPolarHBondContact O-CB 3.46Å; K209-A213 PolarHBondContact O-N 3.09Å; A213-N216 PolarHBondContact O-N 2.66Å; A213-Q217 WeakPolarHBondContact O-CG 3.29Å; A213-Q217 PolarHBondContact O-N 2.83Å
214F95.2Very high96.3Very high123 Ų12392.2 Ų92.254%0.53948%0.479SS..Hα-helixtrans-65.8-41.6174179.2-96.5000111.8K210 S211 D212 N216 Q217 Q218K210-F214 WeakPolarHBondContact O-CB 3.45Å; K210-F214 PolarHBondContact O-N 3.34Å; S211-F214 PolarHBondContact O-N 3.48Å; D212-F214 VanDerWaalsContact C-N 3.34Å; D212-F214 PolarHBondContact O-N 3.39Å; F214-N216 VanDerWaalsContact C-N 3.34Å; F214-N216 PolarHBondContact O-N 2.92Å; F214-Q217 PolarHBondContact O-N 3.12Å; F214-Q218 WeakPolarHBondContact O-CB 3.35Å; F214-Q218 PolarHBondContact O-N 2.97Å
215M93.8Very high96.2Very high113 Ų11394.4 Ų94.456%0.55749%0.485SS*.Hα-helixtrans-62.4-39.1174.8-75.8-58.2-66.400112.5S211 D212 Q218 S219S211-M215 WeakPolarHBondContact O-CG 3.45Å; S211-M215 PolarHBondContact O-N 3.32Å; D212-M215 PolarHBondContact O-N 3.37Å; M215-Q218 PolarHBondContact O-N 3.08Å; M215-S219 PolarHBondContact O-N 2.99Å; M215-S219 PolarHBondContact O-OG 2.91Å
216N96Very high96.2Very high109 Ų10994.3 Ų94.358%0.58349%0.487SS*.Hα-helixtrans-68.4-35.5174.2-70.5-31.2000112.6D212 A213 F214 S219 E220D212-N216 WeakPolarHBondContact O-CB 3.35Å; D212-N216 VanDerWaalsContact O-CG 3.25Å; D212-N216 PolarHBondContact O-N 3.01Å; D212-N216 PolarHBondContact O-ND2 3.18Å; D212-N216 VanDerWaalsContact O-ND2 3.17Å; A213-N216 PolarHBondContact O-N 2.66Å; F214-N216 VanDerWaalsContact C-N 3.34Å; F214-N216 PolarHBondContact O-N 2.92Å; N216-S219 PolarHBondContact O-OG 3.45Å; N216-E220 WeakPolarHBondContact O-CB 3.48Å; N216-E220 PolarHBondContact O-N 2.94Å; N216-E220 VanDerWaalsContact O-N 3.11Å
217Q96.5Very high96.3Very high126 Ų12697.3 Ų97.359%0.58950%0.495SS*.Hα-helixtrans-67.6-40.3171-73.5175-3.700111.4A213 F214 E220 I221A213-Q217 WeakPolarHBondContact O-CG 3.29Å; A213-Q217 PolarHBondContact O-N 2.83Å; F214-Q217 PolarHBondContact O-N 3.12Å; Q217-E220 PolarHBondContact O-N 3.16Å; Q217-I221 WeakPolarHBondContact O-CB 3.48Å; Q217-I221 WeakPolarHBondContact O-CD1 3.46Å; Q217-I221 VanDerWaalsContact O-CG1 3.22Å; Q217-I221 WeakPolarHBondContact O-CG1 3.26Å; Q217-I221 PolarHBondContact O-N 3.07Å
218Q96.6Very high96.3Very high83 Ų8393.2 Ų93.239%0.38848%0.482SS..Hα-helixtrans-65.3-39.4177.5-17659.948.700111.9F214 M215 T222F214-Q218 WeakPolarHBondContact O-CB 3.35Å; F214-Q218 PolarHBondContact O-N 2.97Å; M215-Q218 PolarHBondContact O-N 3.08Å; Q218-T222 PolarHBondContact NE2-OG1 3.3Å; Q218-T222 WeakPolarHBondContact O-CB 3.35Å; Q218-T222 PolarHBondContact O-N 2.71Å; Q218-T222 PolarHBondContact O-OG1 3.48Å
219S95.2Very high96.4Very high67 Ų6795.9 Ų95.947%0.46949%0.49SS..Hα-helixtrans-67.8-41.9175.165.60000111.8M215 N216 T222 R223M215-S219 PolarHBondContact O-N 2.99Å; M215-S219 PolarHBondContact O-OG 2.91Å; N216-S219 PolarHBondContact O-OG 3.45Å; S219-T222 PolarHBondContact O-N 2.91Å; S219-R223 WeakPolarHBondContact O-CB 3.38Å; S219-R223 PolarHBondContact O-N 3.16Å
220E96.2Very high96.4Very high77 Ų7794.7 Ų94.736%0.3649%0.49SS..Hα-helixtrans-64.5-43.8175.4177.960.3-17400112.3N216 Q217 T222 R223 L224N216-E220 WeakPolarHBondContact O-CB 3.48Å; N216-E220 PolarHBondContact O-N 2.94Å; N216-E220 VanDerWaalsContact O-N 3.11Å; Q217-E220 PolarHBondContact O-N 3.16Å; E220-T222 VanDerWaalsContact C-N 3.31Å; E220-T222 PolarHBondContact O-N 2.87Å; E220-R223 PolarHBondContact O-N 3.32Å; E220-R223 IonicContact OE1-CZ 2.67Å; E220-R223 IonicContact OE1-NE 2.65Å; E220-R223 IonicContact OE1-NH2 3.2Å; E220-R223 PolarHBondContact OE1-NH2 3.38Å; E220-R223 IonicContact OE2-CZ 3.95Å; E220-R223 VanDerWaalsContact OE2-CZ 3.23Å; E220-R223 IonicContact OE2-NE 2.95Å; E220-R223 PolarHBondContact OE2-NE 3.34Å; E220-R223 IonicContact OE2-NH2 3.74Å; E220-R223 PolarHBondContact OE2-NH2 3.07Å; E220-L224 HydrophobicContact CG-CD1 4.12Å; E220-L224 WeakPolarHBondContact O-CB 3.39Å; E220-L224 VanDerWaalsContact O-CG 3.28Å; E220-L224 WeakPolarHBondContact O-CG 3.4Å; E220-L224 PolarHBondContact O-N 2.97Å
221I96.3Very high96.4Very high89 Ų8992.3 Ų92.346%0.45648%0.484SS..Hα-helixtrans-59.1-44.8173.1-70.8164.5000110.2Q217 L224 L225Q217-I221 WeakPolarHBondContact O-CB 3.48Å; Q217-I221 WeakPolarHBondContact O-CD1 3.46Å; Q217-I221 VanDerWaalsContact O-CG1 3.22Å; Q217-I221 WeakPolarHBondContact O-CG1 3.26Å; Q217-I221 PolarHBondContact O-N 3.07Å; I221-L224 PolarHBondContact O-N 3.08Å; I221-L225 HydrophobicContact CG2-CD1 3.92Å; I221-L225 HydrophobicContact CG2-CG 4.4Å; I221-L225 WeakPolarHBondContact O-CB 3.3Å; I221-L225 VanDerWaalsContact O-CG 3.28Å; I221-L225 WeakPolarHBondContact O-CG 3.46Å; I221-L225 PolarHBondContact O-N 3.46Å
222T97.1Very high96.5Very high67 Ų6794 Ų9441%0.41149%0.485SS..Hα-helixtrans-62.9-44.2178.7-55.20000111.2Q218 S219 E220 L224 L225 T226Q218-T222 PolarHBondContact NE2-OG1 3.3Å; Q218-T222 WeakPolarHBondContact O-CB 3.35Å; Q218-T222 PolarHBondContact O-N 2.71Å; Q218-T222 PolarHBondContact O-OG1 3.48Å; S219-T222 PolarHBondContact O-N 2.91Å; E220-T222 VanDerWaalsContact C-N 3.31Å; E220-T222 PolarHBondContact O-N 2.87Å; T222-L224 PolarHBondContact O-N 2.89Å; T222-L225 PolarHBondContact O-N 2.94Å; T222-T226 PolarHBondContact O-N 3.36Å; T222-T226 PolarHBondContact O-OG1 3.2Å; T222-T226 VanDerWaalsContact O-OG1 3.13Å
223R98Very high96.6Very high125 Ų12593.5 Ų93.547%0.47248%0.482SS..Hα-helixtrans-62.2-41.5176.6-169.1-17270.587.11.7112.3S219 E220 R227S219-R223 WeakPolarHBondContact O-CB 3.38Å; S219-R223 PolarHBondContact O-N 3.16Å; E220-R223 PolarHBondContact O-N 3.32Å; E220-R223 IonicContact OE1-CZ 2.67Å; E220-R223 IonicContact OE1-NE 2.65Å; E220-R223 IonicContact OE1-NH2 3.2Å; E220-R223 PolarHBondContact OE1-NH2 3.38Å; E220-R223 IonicContact OE2-CZ 3.95Å; E220-R223 VanDerWaalsContact OE2-CZ 3.23Å; E220-R223 IonicContact OE2-NE 2.95Å; E220-R223 PolarHBondContact OE2-NE 3.34Å; E220-R223 IonicContact OE2-NH2 3.74Å; E220-R223 PolarHBondContact OE2-NH2 3.07Å; R223-R227 WeakPolarHBondContact O-CB 3.32Å; R223-R227 PolarHBondContact O-N 2.89Å
224L97.9Very high96.7Very high86 Ų8697.6 Ų97.645%0.4549%0.488SS..Hα-helixtrans-68.2-36.1175.5-70.4173.5000112.2E220 I221 T222 G228E220-L224 HydrophobicContact CG-CD1 4.12Å; E220-L224 WeakPolarHBondContact O-CB 3.39Å; E220-L224 VanDerWaalsContact O-CG 3.28Å; E220-L224 WeakPolarHBondContact O-CG 3.4Å; E220-L224 PolarHBondContact O-N 2.97Å; I221-L224 PolarHBondContact O-N 3.08Å; T222-L224 PolarHBondContact O-N 2.89Å; L224-G228 PolarHBondContact O-N 3.42Å
225L96.6Very high96.8Very high110 Ų11096 Ų9658%0.57649%0.488SS*.Hα-helixtrans-65.8-46.9173.7-74.2170.1000111.7I221 T222 R227 G228 L229I221-L225 HydrophobicContact CG2-CD1 3.92Å; I221-L225 HydrophobicContact CG2-CG 4.4Å; I221-L225 WeakPolarHBondContact O-CB 3.3Å; I221-L225 VanDerWaalsContact O-CG 3.28Å; I221-L225 WeakPolarHBondContact O-CG 3.46Å; I221-L225 PolarHBondContact O-N 3.46Å; T222-L225 PolarHBondContact O-N 2.94Å; L225-R227 PolarHBondContact O-N 3.3Å; L225-G228 WeakPolarHBondContact O-CA 3.37Å; L225-G228 PolarHBondContact O-N 3.15Å; L225-G228 VanDerWaalsContact O-N 3.12Å; L225-L229 WeakPolarHBondContact O-CG 3.45Å; L225-L229 PolarHBondContact O-N 3.42Å
226T96.6Very high97Very high74 Ų7495.9 Ų95.945%0.45448%0.484SS..Hα-helixtrans-56.8-51.3174.7-56.40000110.8T222 G228 L229 D230T222-T226 PolarHBondContact O-N 3.36Å; T222-T226 PolarHBondContact O-OG1 3.2Å; T222-T226 VanDerWaalsContact O-OG1 3.13Å; T226-G228 VanDerWaalsContact C-N 3.25Å; T226-G228 PolarHBondContact O-N 2.9Å; T226-L229 PolarHBondContact O-N 3.4Å; T226-L229 VanDerWaalsContact O-N 3.1Å; T226-D230 VanDerWaalsContact O-CG 3.31Å; T226-D230 PolarHBondContact O-N 3.33Å
227R97.6Very high97.1Very high151 Ų15195.5 Ų95.557%0.5748%0.479SS*.Hα-helixtrans-58.7-36175.8-175.6178.9-178.5-179.93.3112.8R223 L225 L231R223-R227 WeakPolarHBondContact O-CB 3.32Å; R223-R227 PolarHBondContact O-N 2.89Å; L225-R227 PolarHBondContact O-N 3.3Å; R227-L231 HydrophobicContact CG-CD1 4.23Å; R227-L231 WeakPolarHBondContact O-CB 3.1Å; R227-L231 VanDerWaalsContact O-CG 3.26Å; R227-L231 WeakPolarHBondContact O-CG 3.37Å; R227-L231 PolarHBondContact O-N 2.93Å
228G96.8Very high97.1Very high38 Ų3892.9 Ų92.939%0.39247%0.469SS..Hα-helixtrans-63.1-46.4175.100000112.2L224 L225 T226 L231 E232L224-G228 PolarHBondContact O-N 3.42Å; L225-G228 WeakPolarHBondContact O-CA 3.37Å; L225-G228 PolarHBondContact O-N 3.15Å; L225-G228 VanDerWaalsContact O-N 3.12Å; T226-G228 VanDerWaalsContact C-N 3.25Å; T226-G228 PolarHBondContact O-N 2.9Å; G228-L231 PolarHBondContact O-N 3.01Å; G228-E232 WeakPolarHBondContact O-CB 3.48Å; G228-E232 PolarHBondContact O-N 3Å
229L97.1Very high97.2Very high99 Ų9992.6 Ų92.652%0.51847%0.473SS..Hα-helixtrans-65.2-40.5176.5-67.7171.2000112.1L225 T226 L231 E232 N233L225-L229 WeakPolarHBondContact O-CG 3.45Å; L225-L229 PolarHBondContact O-N 3.42Å; T226-L229 PolarHBondContact O-N 3.4Å; T226-L229 VanDerWaalsContact O-N 3.1Å; L229-L231 PolarHBondContact O-N 3.1Å; L229-E232 PolarHBondContact O-N 3.33Å; L229-N233 WeakPolarHBondContact O-CB 3.4Å; L229-N233 VanDerWaalsContact O-CG 3.22Å; L229-N233 PolarHBondContact O-N 3.03Å; L229-N233 PolarHBondContact O-ND2 2.92Å
230D97.5Very high97.2Very high95 Ų9592.3 Ų92.351%0.50847%0.474SS..Hα-helixtrans-62.2-43.2176-66.1-31000111.7T226 N233 R234T226-D230 VanDerWaalsContact O-CG 3.31Å; T226-D230 PolarHBondContact O-N 3.33Å; D230-N233 PolarHBondContact O-N 2.86Å; D230-R234 WeakPolarHBondContact O-CB 3.35Å; D230-R234 PolarHBondContact O-N 2.87Å
231L97.3Very high97.3Very high102 Ų10292.1 Ų92.153%0.53447%0.474SS..Hα-helixtrans-65.8-40.5174.6-71.9171.8000111.9R227 G228 L229 R234 V235R227-L231 HydrophobicContact CG-CD1 4.23Å; R227-L231 WeakPolarHBondContact O-CB 3.1Å; R227-L231 VanDerWaalsContact O-CG 3.26Å; R227-L231 WeakPolarHBondContact O-CG 3.37Å; R227-L231 PolarHBondContact O-N 2.93Å; G228-L231 PolarHBondContact O-N 3.01Å; L229-L231 PolarHBondContact O-N 3.1Å; L231-R234 PolarHBondContact O-N 3.39Å; L231-V235 VanDerWaalsContact O-CG2 3.32Å; L231-V235 WeakPolarHBondContact O-CG2 3.33Å; L231-V235 PolarHBondContact O-N 3.38Å
232E97.4Very high97.3Very high95 Ų9592.2 Ų92.244%0.44448%0.475SS..Hα-helixtrans-62.4-42.8175.3-165.5-170.1144.600111.4G228 L229 V235 K236G228-E232 WeakPolarHBondContact O-CB 3.48Å; G228-E232 PolarHBondContact O-N 3Å; L229-E232 PolarHBondContact O-N 3.33Å; E232-V235 PolarHBondContact O-N 3.29Å; E232-K236 WeakPolarHBondContact O-CG 3.28Å; E232-K236 PolarHBondContact O-N 2.85Å; E232-K236 WeakPolarHBondContact OE1-CE 3.22Å; E232-K236 IonicContact OE1-NZ 2.73Å; E232-K236 PolarHBondContact OE1-NZ 3.4Å
233N97.3Very high97.3Very high88 Ų8894.5 Ų94.547%0.47148%0.481SS..Hα-helixtrans-64.7-41.8175.5-71.4-27.6000111.7L229 D230 V235 K236 Q237L229-N233 WeakPolarHBondContact O-CB 3.4Å; L229-N233 VanDerWaalsContact O-CG 3.22Å; L229-N233 PolarHBondContact O-N 3.03Å; L229-N233 PolarHBondContact O-ND2 2.92Å; D230-N233 PolarHBondContact O-N 2.86Å; N233-V235 VanDerWaalsContact C-N 3.34Å; N233-V235 PolarHBondContact O-N 2.93Å; N233-K236 PolarHBondContact O-N 3.1Å; N233-Q237 PolarHBondContact O-N 2.76Å
234R97.9Very high97.2Very high132 Ų13293.6 Ų93.650%0.49848%0.483SS..Hα-helixtrans-63-39.2175-173.259.7160.3120.7-2.7112.2D230 L231 L238D230-R234 WeakPolarHBondContact O-CB 3.35Å; D230-R234 PolarHBondContact O-N 2.87Å; L231-R234 PolarHBondContact O-N 3.39Å; R234-L238 HydrophobicContact CG-CD1 4.35Å; R234-L238 WeakPolarHBondContact O-CB 3.33Å; R234-L238 WeakPolarHBondContact O-CG 3.46Å; R234-L238 PolarHBondContact O-N 3.47Å
235V97.6Very high97.2Very high91 Ų9194.2 Ų94.255%0.55249%0.487SS*.Hα-helixtrans-64.7-47.8173.8168.90000110.5L231 E232 N233 Q237 L238 T239L231-V235 VanDerWaalsContact O-CG2 3.32Å; L231-V235 WeakPolarHBondContact O-CG2 3.33Å; L231-V235 PolarHBondContact O-N 3.38Å; E232-V235 PolarHBondContact O-N 3.29Å; N233-V235 VanDerWaalsContact C-N 3.34Å; N233-V235 PolarHBondContact O-N 2.93Å; V235-Q237 VanDerWaalsContact C-N 3.33Å; V235-Q237 PolarHBondContact O-N 2.85Å; V235-L238 PolarHBondContact O-N 3.05Å; V235-T239 PolarHBondContact O-N 3.26Å; V235-T239 PolarHBondContact O-OG1 2.66Å
236K97.6Very high97.3Very high109 Ų10992.2 Ų92.247%0.47448%0.476SS..Hα-helixtrans-57-43.9175.6-72.5167.4-175162.50112.3E232 N233 T239 A240E232-K236 WeakPolarHBondContact O-CG 3.28Å; E232-K236 PolarHBondContact O-N 2.85Å; E232-K236 WeakPolarHBondContact OE1-CE 3.22Å; E232-K236 IonicContact OE1-NZ 2.73Å; E232-K236 PolarHBondContact OE1-NZ 3.4Å; N233-K236 PolarHBondContact O-N 3.1Å; K236-T239 PolarHBondContact O-N 3.04Å; K236-A240 PolarHBondContact O-N 2.94Å
237Q97.8Very high97.3Very high101 Ų10190.4 Ų90.447%0.47247%0.471SS..Hα-helixtrans-61.4-50.5176.3-179.3-179.2-4.300111.4N233 V235 T239 A240 E241N233-Q237 PolarHBondContact O-N 2.76Å; V235-Q237 VanDerWaalsContact C-N 3.33Å; V235-Q237 PolarHBondContact O-N 2.85Å; Q237-T239 VanDerWaalsContact C-N 3.26Å; Q237-T239 PolarHBondContact O-N 3.03Å; Q237-A240 PolarHBondContact O-N 3.45Å; Q237-A240 VanDerWaalsContact O-N 3.11Å; Q237-E241 HydrophobicContact CG-CG 4.49Å; Q237-E241 VanDerWaalsContact CG-OE1 3.3Å; Q237-E241 WeakPolarHBondContact CG-OE1 3.41Å; Q237-E241 PolarHBondContact NE2-OE1 2.92Å; Q237-E241 WeakPolarHBondContact O-CG 3.45Å; Q237-E241 PolarHBondContact O-N 2.89Å
238L97Very high97.3Very high72 Ų7290.2 Ų90.238%0.37747%0.471SS..Hα-helixtrans-61.7-33.6177.3-74.8170.1000112.2R234 V235 N242R234-L238 HydrophobicContact CG-CD1 4.35Å; R234-L238 WeakPolarHBondContact O-CB 3.33Å; R234-L238 WeakPolarHBondContact O-CG 3.46Å; R234-L238 PolarHBondContact O-N 3.47Å; V235-L238 PolarHBondContact O-N 3.05Å; L238-N242 WeakPolarHBondContact O-CB 3.19Å; L238-N242 PolarHBondContact O-N 3.32Å; L238-N242 PolarHBondContact O-ND2 3.42Å
239T97.6Very high97.3Very high76 Ų7693.7 Ų93.747%0.46648%0.48SS..Hα-helixtrans-65.6-44172.7-56.80000111.4V235 K236 Q237 N242 E243V235-T239 PolarHBondContact O-N 3.26Å; V235-T239 PolarHBondContact O-OG1 2.66Å; K236-T239 PolarHBondContact O-N 3.04Å; Q237-T239 VanDerWaalsContact C-N 3.26Å; Q237-T239 PolarHBondContact O-N 3.03Å; T239-N242 PolarHBondContact O-N 3.26Å; T239-E243 PolarHBondContact O-N 2.93Å
240A97.3Very high97.4Very high61 Ų6194.4 Ų94.450%0.50448%0.479SS..Hα-helixtrans-65.9-39.2176.900000112.9K236 Q237 E243 M244K236-A240 PolarHBondContact O-N 2.94Å; Q237-A240 PolarHBondContact O-N 3.45Å; Q237-A240 VanDerWaalsContact O-N 3.11Å; A240-E243 PolarHBondContact O-N 2.81Å; A240-M244 PolarHBondContact O-N 3.27Å
241E97.5Very high97.3Very high74 Ų7496.2 Ų96.235%0.34648%0.484SS..Hα-helixtrans-63.6-42.9173.4-72.9170.3-169.800111.4Q237 M244 L245Q237-E241 HydrophobicContact CG-CG 4.49Å; Q237-E241 VanDerWaalsContact CG-OE1 3.3Å; Q237-E241 WeakPolarHBondContact CG-OE1 3.41Å; Q237-E241 PolarHBondContact NE2-OE1 2.92Å; Q237-E241 WeakPolarHBondContact O-CG 3.45Å; Q237-E241 PolarHBondContact O-N 2.89Å; E241-M244 WeakPolarHBondContact O-CB 3.44Å; E241-M244 PolarHBondContact O-N 2.86Å; E241-L245 WeakPolarHBondContact O-CG 3.36Å; E241-L245 PolarHBondContact O-N 3.26Å
242N96Very high97.3Very high90 Ų9095.3 Ų95.348%0.48148%0.483SS..Hα-helixtrans-62.9-45.7174.8-82-57.4000112.5L238 T239 M244 L245 I246L238-N242 WeakPolarHBondContact O-CB 3.19Å; L238-N242 PolarHBondContact O-N 3.32Å; L238-N242 PolarHBondContact O-ND2 3.42Å; T239-N242 PolarHBondContact O-N 3.26Å; N242-M244 VanDerWaalsContact C-N 3.29Å; N242-M244 PolarHBondContact O-N 3.17Å; N242-L245 PolarHBondContact O-N 3.2Å; N242-I246 WeakPolarHBondContact O-CB 3.34Å; N242-I246 VanDerWaalsContact O-CG1 3.25Å; N242-I246 WeakPolarHBondContact O-CG1 3.14Å; N242-I246 PolarHBondContact O-N 3.32Å
243E96.8Very high97.3Very high116 Ų11696.5 Ų96.554%0.54249%0.489SS..Hα-helixtrans-60.7-38.5175.3-75.6-62.4146.700111.8T239 A240 I246 G247T239-E243 PolarHBondContact O-N 2.93Å; A240-E243 PolarHBondContact O-N 2.81Å; E243-I246 PolarHBondContact O-N 3.23Å; E243-G247 PolarHBondContact O-N 3.46Å
244M96.6Very high97.3Very high105 Ų10597.8 Ų97.852%0.51749%0.494SS..Hα-helixtrans-63.5-44.2173.9-169.7-167.1-55.700112.1A240 E241 N242 G247 R248A240-M244 PolarHBondContact O-N 3.27Å; E241-M244 WeakPolarHBondContact O-CB 3.44Å; E241-M244 PolarHBondContact O-N 2.86Å; N242-M244 VanDerWaalsContact C-N 3.29Å; N242-M244 PolarHBondContact O-N 3.17Å; M244-G247 PolarHBondContact O-N 2.96Å; M244-R248 WeakPolarHBondContact O-CG 3Å; M244-R248 PolarHBondContact O-N 3.43Å; M244-R248 PolarHBondContact SD-NH2 2.89Å; M244-R248 VanDerWaalsContact SD-NH2 3.44Å
245L97.8Very high97.1Very high100 Ų10094.3 Ų94.352%0.52449%0.49SS..Hα-helixtrans-66.3-39.4177.5-70.6174.2000112E241 N242 G247 R248 L249E241-L245 WeakPolarHBondContact O-CG 3.36Å; E241-L245 PolarHBondContact O-N 3.26Å; N242-L245 PolarHBondContact O-N 3.2Å; L245-G247 VanDerWaalsContact C-N 3.33Å; L245-R248 PolarHBondContact O-N 3.07Å; L245-L249 WeakPolarHBondContact O-CB 3.38Å; L245-L249 PolarHBondContact O-N 2.9Å
246I97.9Very high97.1Very high68 Ų6896.2 Ų96.235%0.34949%0.493SS..Hα-helixtrans-62.9-40.2172.5-69.9164.8000110.6N242 E243 L249 K250N242-I246 WeakPolarHBondContact O-CB 3.34Å; N242-I246 VanDerWaalsContact O-CG1 3.25Å; N242-I246 WeakPolarHBondContact O-CG1 3.14Å; N242-I246 PolarHBondContact O-N 3.32Å; E243-I246 PolarHBondContact O-N 3.23Å; I246-L249 PolarHBondContact O-N 3.26Å; I246-K250 HydrophobicContact CG2-CD 4.18Å; I246-K250 VanDerWaalsContact O-CG 3.31Å; I246-K250 WeakPolarHBondContact O-CG 3.27Å; I246-K250 PolarHBondContact O-N 3.42Å
247G97.4Very high97.1Very high35 Ų3594.4 Ų94.436%0.36149%0.494SS..Hα-helixtrans-59.1-51.6173.100000112.2E243 M244 L245 L249 K250 E251E243-G247 PolarHBondContact O-N 3.46Å; M244-G247 PolarHBondContact O-N 2.96Å; L245-G247 VanDerWaalsContact C-N 3.33Å; G247-L249 PolarHBondContact O-N 2.66Å; G247-K250 PolarHBondContact O-N 2.95Å; G247-E251 PolarHBondContact O-N 3.4Å
248R97.4Very high97Very high147 Ų14794.1 Ų94.156%0.55550%0.495SS*.Hα-helixtrans-61-40.8176.6-69.8179.3-174.5-173.73.8112.5M244 L245 K250 E251 T252M244-R248 WeakPolarHBondContact O-CG 3Å; M244-R248 PolarHBondContact O-N 3.43Å; M244-R248 PolarHBondContact SD-NH2 2.89Å; M244-R248 VanDerWaalsContact SD-NH2 3.44Å; L245-R248 PolarHBondContact O-N 3.07Å; R248-K250 VanDerWaalsContact C-N 3.33Å; R248-K250 PolarHBondContact O-N 2.89Å; R248-E251 PolarHBondContact O-N 3.11Å; R248-T252 WeakPolarHBondContact O-CG2 3.49Å; R248-T252 PolarHBondContact O-N 2.99Å; R248-T252 PolarHBondContact O-OG1 2.84Å
249L97.4Very high97Very high111 Ų11195.5 Ų95.558%0.58150%0.502SS*.Hα-helixtrans-63-39.1176.8-179.462.7000111.9L245 I246 G247 T252 Q253L245-L249 WeakPolarHBondContact O-CB 3.38Å; L245-L249 PolarHBondContact O-N 2.9Å; I246-L249 PolarHBondContact O-N 3.26Å; G247-L249 PolarHBondContact O-N 2.66Å; L249-T252 PolarHBondContact O-OG1 3.26Å; L249-T252 VanDerWaalsContact O-OG1 3.1Å; L249-Q253 WeakPolarHBondContact O-CB 3.28Å; L249-Q253 PolarHBondContact O-N 3.35Å
250K97.8Very high97Very high115 Ų11595.9 Ų95.950%0.551%0.505SS..Hα-helixtrans-66.3-41.9173.6-71.8165.6-178.6169.50111.5I246 G247 R248 Q253 I254I246-K250 HydrophobicContact CG2-CD 4.18Å; I246-K250 VanDerWaalsContact O-CG 3.31Å; I246-K250 WeakPolarHBondContact O-CG 3.27Å; I246-K250 PolarHBondContact O-N 3.42Å; G247-K250 PolarHBondContact O-N 2.95Å; R248-K250 VanDerWaalsContact C-N 3.33Å; R248-K250 PolarHBondContact O-N 2.89Å; K250-Q253 PolarHBondContact O-N 2.88Å; K250-I254 WeakPolarHBondContact O-CB 3.43Å; K250-I254 WeakPolarHBondContact O-CD1 3.4Å; K250-I254 VanDerWaalsContact O-CG1 3.23Å; K250-I254 WeakPolarHBondContact O-CG1 3.47Å; K250-I254 PolarHBondContact O-N 3.39Å
251E96.8Very high96.9Very high132 Ų13296 Ų9662%0.61750%0.502SS*.Hα-helixtrans-64.4-42.6178.1-173.3175-164.100112.4G247 R248 I254 S255G247-E251 PolarHBondContact O-N 3.4Å; R248-E251 PolarHBondContact O-N 3.11Å; E251-I254 PolarHBondContact O-N 2.8Å; E251-S255 WeakPolarHBondContact O-CB 3.44Å; E251-S255 PolarHBondContact O-N 3.01Å; E251-S255 PolarHBondContact O-OG 2.78Å
252T95.9Very high96.9Very high84 Ų8497 Ų9752%0.51551%0.507SS..Hα-helixtrans-69.7-36.7174.158.10000112.1R248 L249 S255 Q256R248-T252 WeakPolarHBondContact O-CG2 3.49Å; R248-T252 PolarHBondContact O-N 2.99Å; R248-T252 PolarHBondContact O-OG1 2.84Å; L249-T252 PolarHBondContact O-OG1 3.26Å; L249-T252 VanDerWaalsContact O-OG1 3.1Å; T252-S255 PolarHBondContact O-N 3.02Å; T252-Q256 VanDerWaalsContact O-CB 3.32Å; T252-Q256 WeakPolarHBondContact O-CB 3.09Å; T252-Q256 PolarHBondContact O-N 3.13Å
253Q98.1Very high97Very high120 Ų12098.6 Ų98.656%0.56151%0.514SS*.Hα-helixtrans-63.2-42.1173.1-175.4-179.35.400111.9L249 K250 Q256 S257L249-Q253 WeakPolarHBondContact O-CB 3.28Å; L249-Q253 PolarHBondContact O-N 3.35Å; K250-Q253 PolarHBondContact O-N 2.88Å; Q253-Q256 PolarHBondContact O-N 3.48Å; Q253-S257 WeakPolarHBondContact O-CB 3.48Å; Q253-S257 PolarHBondContact O-N 2.93Å
254I96.7Very high97Very high115 Ų11599.4 Ų99.459%0.5952%0.516SS*.Hα-helixtrans-62.4-48.4174.1-70.7162.8000109.8K250 E251 Q256 S257 L258K250-I254 WeakPolarHBondContact O-CB 3.43Å; K250-I254 WeakPolarHBondContact O-CD1 3.4Å; K250-I254 VanDerWaalsContact O-CG1 3.23Å; K250-I254 WeakPolarHBondContact O-CG1 3.47Å; K250-I254 PolarHBondContact O-N 3.39Å; E251-I254 PolarHBondContact O-N 2.8Å; I254-Q256 VanDerWaalsContact C-N 3.34Å; I254-Q256 PolarHBondContact O-N 3.15Å; I254-S257 PolarHBondContact O-N 2.94Å; I254-S257 VanDerWaalsContact O-N 3.12Å; I254-S257 PolarHBondContact O-OG 3.25Å; I254-L258 PolarHBondContact O-N 3.43Å
255S94.8Very high97Very high58 Ų5898.3 Ų98.341%0.40651%0.512SS..Hα-helixtrans-59-42.6178-56.70000112.3E251 T252 L258 L259E251-S255 WeakPolarHBondContact O-CB 3.44Å; E251-S255 PolarHBondContact O-N 3.01Å; E251-S255 PolarHBondContact O-OG 2.78Å; T252-S255 PolarHBondContact O-N 3.02Å; S255-L258 PolarHBondContact O-N 2.88Å; S255-L259 WeakPolarHBondContact O-CG 3.22Å; S255-L259 PolarHBondContact O-N 2.72Å
256Q97.1Very high96.9Very high132 Ų13297.5 Ų97.562%0.61751%0.508SS*.Hα-helixtrans-64.1-42.1174.5-173.8-177.644.800111.7T252 Q253 I254 L258 L259 T260T252-Q256 VanDerWaalsContact O-CB 3.32Å; T252-Q256 WeakPolarHBondContact O-CB 3.09Å; T252-Q256 PolarHBondContact O-N 3.13Å; Q253-Q256 PolarHBondContact O-N 3.48Å; I254-Q256 VanDerWaalsContact C-N 3.34Å; I254-Q256 PolarHBondContact O-N 3.15Å; Q256-L258 VanDerWaalsContact C-N 3.34Å; Q256-L258 PolarHBondContact O-N 2.89Å; Q256-L259 PolarHBondContact O-N 2.73Å; Q256-T260 VanDerWaalsContact O-CB 3.31Å; Q256-T260 WeakPolarHBondContact O-CB 3.21Å; Q256-T260 PolarHBondContact O-N 3.11Å; Q256-T260 PolarHBondContact O-OG1 3.1Å
257S96.9Very high96.9Very high70 Ų70102.5 Ų102.549%0.4952%0.522SS..Hα-helixtrans-65-37.6177.576.90000112.2Q253 I254 T260 S261Q253-S257 WeakPolarHBondContact O-CB 3.48Å; Q253-S257 PolarHBondContact O-N 2.93Å; I254-S257 PolarHBondContact O-N 2.94Å; I254-S257 VanDerWaalsContact O-N 3.12Å; I254-S257 PolarHBondContact O-OG 3.25Å; S257-T260 PolarHBondContact O-N 3.4Å; S257-S261 PolarHBondContact O-N 2.62Å
258L97.2Very high96.9Very high95 Ų95104.8 Ų104.850%0.49753%0.526SS..Hα-helixtrans-63.4-54.9175-177.169000110.5I254 S255 Q256 T260 S261 E262I254-L258 PolarHBondContact O-N 3.43Å; S255-L258 PolarHBondContact O-N 2.88Å; Q256-L258 VanDerWaalsContact C-N 3.34Å; Q256-L258 PolarHBondContact O-N 2.89Å; L258-T260 VanDerWaalsContact C-N 3.25Å; L258-T260 PolarHBondContact O-N 3.3Å; L258-S261 CarbonylContact O-C 3.48Å; L258-S261 WeakPolarHBondContact O-CA 3.4Å; L258-S261 WeakPolarHBondContact O-CB 3.34Å; L258-S261 PolarHBondContact O-N 2.91Å; L258-S261 PolarHBondContact O-OG 3.27Å; L258-E262 PolarHBondContact O-N 3.5Å
259L96.5Very high96.9Very high102 Ų102102.7 Ų102.753%0.53452%0.521SS..Hα-helixtrans-57.2-37.9177-71.6166.8000112.3S255 Q256 E262 L263S255-L259 WeakPolarHBondContact O-CG 3.22Å; S255-L259 PolarHBondContact O-N 2.72Å; Q256-L259 PolarHBondContact O-N 2.73Å; L259-E262 PolarHBondContact O-N 2.86Å; L259-L263 WeakPolarHBondContact O-CB 3.36Å; L259-L263 VanDerWaalsContact O-CG 3.32Å; L259-L263 WeakPolarHBondContact O-CG 3.36Å; L259-L263 PolarHBondContact O-N 2.91Å
260T97.1Very high97Very high84 Ų84105.2 Ų105.252%0.51552%0.524SS..Hα-helixtrans-65-39.8175-57.10000111.5Q256 S257 L258 K264Q256-T260 VanDerWaalsContact O-CB 3.31Å; Q256-T260 WeakPolarHBondContact O-CB 3.21Å; Q256-T260 PolarHBondContact O-N 3.11Å; Q256-T260 PolarHBondContact O-OG1 3.1Å; S257-T260 PolarHBondContact O-N 3.4Å; L258-T260 VanDerWaalsContact C-N 3.25Å; L258-T260 PolarHBondContact O-N 3.3Å; T260-K264 PolarHBondContact O-N 3.1Å
261S96.1Very high97Very high63 Ų63103.8 Ų103.844%0.44152%0.522SS..Hα-helixtrans-69.1-35.3175.5800000112.8S257 L258 K264 N265S257-S261 PolarHBondContact O-N 2.62Å; L258-S261 CarbonylContact O-C 3.48Å; L258-S261 WeakPolarHBondContact O-CA 3.4Å; L258-S261 WeakPolarHBondContact O-CB 3.34Å; L258-S261 PolarHBondContact O-N 2.91Å; L258-S261 PolarHBondContact O-OG 3.27Å; S261-K264 PolarHBondContact O-N 2.94Å; S261-N265 WeakPolarHBondContact O-CB 3.26Å; S261-N265 PolarHBondContact O-N 3.12Å
262E97Very high97Very high96 Ų96103 Ų10345%0.44952%0.518SS..Hα-helixtrans-68-44.4174.3-71.2-178.717800111.5L258 L259 K264 N265 L266L258-E262 PolarHBondContact O-N 3.5Å; L259-E262 PolarHBondContact O-N 2.86Å; E262-K264 VanDerWaalsContact C-N 3.29Å; E262-K264 PolarHBondContact O-N 2.92Å; E262-N265 PolarHBondContact O-N 3.49Å; E262-L266 WeakPolarHBondContact O-CB 3.37Å; E262-L266 WeakPolarHBondContact O-CG 3.26Å; E262-L266 PolarHBondContact O-N 3.36Å
263L97.4Very high97Very high122 Ų122102.7 Ų102.764%0.63952%0.519SS*.Hα-helixtrans-60.5-38.1173.4-74.4174.4000112.2L259 R267L259-L263 WeakPolarHBondContact O-CB 3.36Å; L259-L263 VanDerWaalsContact O-CG 3.32Å; L259-L263 WeakPolarHBondContact O-CG 3.36Å; L259-L263 PolarHBondContact O-N 2.91Å; L263-R267 WeakPolarHBondContact O-CB 3.44Å; L263-R267 PolarHBondContact O-N 3.22Å
264K97Very high97Very high134 Ų134101.2 Ų101.258%0.58351%0.514SS*.Hα-helixtrans-64.6-50.4172.5-176.5-177.8173.1-176.20111.4T260 S261 E262 L266 R267 D268T260-K264 PolarHBondContact O-N 3.1Å; S261-K264 PolarHBondContact O-N 2.94Å; E262-K264 VanDerWaalsContact C-N 3.29Å; E262-K264 PolarHBondContact O-N 2.92Å; K264-L266 VanDerWaalsContact C-N 3.29Å; K264-L266 PolarHBondContact O-N 3.4Å; K264-R267 WeakPolarHBondContact O-CA 3.32Å; K264-R267 WeakPolarHBondContact O-CB 3.41Å; K264-R267 PolarHBondContact O-N 3.25Å; K264-D268 PolarHBondContact O-N 3.27Å
265N97.4Very high97Very high82 Ų82100 Ų10044%0.43951%0.513SS..Hα-helixtrans-58-40.5178.7-174.7-32.8000111.9S261 E262 K269S261-N265 WeakPolarHBondContact O-CB 3.26Å; S261-N265 PolarHBondContact O-N 3.12Å; E262-N265 PolarHBondContact O-N 3.49Å; N265-K269 WeakPolarHBondContact O-CG 3.45Å; N265-K269 PolarHBondContact O-N 3.04Å; N265-K269 WeakPolarHBondContact OD1-CE 3.3Å; N265-K269 PolarHBondContact OD1-NZ 3.07Å
266L96Very high97.1Very high82 Ų82101.8 Ų101.843%0.42952%0.517SS..Hα-helixtrans-64.9-44.2172.8-72.4173.1000112E262 K264 K269 Y270E262-L266 WeakPolarHBondContact O-CB 3.37Å; E262-L266 WeakPolarHBondContact O-CG 3.26Å; E262-L266 PolarHBondContact O-N 3.36Å; K264-L266 VanDerWaalsContact C-N 3.29Å; K264-L266 PolarHBondContact O-N 3.4Å; L266-K269 PolarHBondContact O-N 2.86Å; L266-Y270 HydrophobicContact CB-CE2 4.22Å; L266-Y270 WeakPolarHBondContact O-CD2 3.39Å; L266-Y270 PolarHBondContact O-N 3.3Å
267R97.9Very high97.1Very high173 Ų173102.3 Ų102.365%0.65351%0.514SS*.Hα-helixtrans-57.9-50174-179.2179.3-64.4-152-0.2111.5L263 K264 K269 Y270 D271L263-R267 WeakPolarHBondContact O-CB 3.44Å; L263-R267 PolarHBondContact O-N 3.22Å; K264-R267 WeakPolarHBondContact O-CA 3.32Å; K264-R267 WeakPolarHBondContact O-CB 3.41Å; K264-R267 PolarHBondContact O-N 3.25Å; R267-K269 PolarHBondContact O-N 2.76Å; R267-Y270 PolarHBondContact O-N 3.44Å; R267-D271 PolarHBondContact O-N 3.48Å
268D97.3Very high97.1Very high83 Ų83102 Ų10244%0.44451%0.507SS..Hα-helixtrans-57.7-39.7-180-62.2-19000110.8K264 D271 E272K264-D268 PolarHBondContact O-N 3.27Å; D268-D271 PolarHBondContact O-N 2.73Å; D268-E272 WeakPolarHBondContact O-CB 3.46Å; D268-E272 PolarHBondContact O-N 3.25Å
269K97.3Very high97Very high103 Ų103103.6 Ų103.645%0.44851%0.512SS..Hα-helixtrans-67.1-38.5172.5-75.6166.2173.9155.70113.9N265 L266 R267 E272 C273N265-K269 WeakPolarHBondContact O-CG 3.45Å; N265-K269 PolarHBondContact O-N 3.04Å; N265-K269 WeakPolarHBondContact OD1-CE 3.3Å; N265-K269 PolarHBondContact OD1-NZ 3.07Å; L266-K269 PolarHBondContact O-N 2.86Å; R267-K269 PolarHBondContact O-N 2.76Å; K269-E272 PolarHBondContact O-N 2.9Å; K269-C273 PolarHBondContact O-N 2.68Å; K269-C273 PolarHBondContact O-SG 3.41Å
270Y98.1Very high97Very high165 Ų165100.9 Ų100.965%0.64750%0.504SS*.Hα-helixtrans-66.9-39.5175.4-74.4-60.6000111.2L266 R267 C273 L274L266-Y270 HydrophobicContact CB-CE2 4.22Å; L266-Y270 WeakPolarHBondContact O-CD2 3.39Å; L266-Y270 PolarHBondContact O-N 3.3Å; R267-Y270 PolarHBondContact O-N 3.44Å; Y270-C273 PolarHBondContact O-N 3.48Å; Y270-L274 WeakPolarHBondContact O-CB 3.15Å; Y270-L274 PolarHBondContact O-N 3.33Å
271D97.8Very high97Very high84 Ų84103 Ų10345%0.44950%0.503SS..Hα-helixtrans-66.4-40.3175.3-72-30.3000111.2R267 D268 L274 T275R267-D271 PolarHBondContact O-N 3.48Å; D268-D271 PolarHBondContact O-N 2.73Å; D271-L274 WeakPolarHBondContact O-CB 3.31Å; D271-L274 PolarHBondContact O-N 2.93Å; D271-T275 WeakPolarHBondContact O-CG2 3.48Å; D271-T275 PolarHBondContact O-N 3.36Å
272E97Very high96.9Very high115 Ų115104.8 Ų104.854%0.53751%0.507SS..Hα-helixtrans-59.2-46.8170-176.1-179.7-163.700112.2D268 K269 L274 T275 L276D268-E272 WeakPolarHBondContact O-CB 3.46Å; D268-E272 PolarHBondContact O-N 3.25Å; K269-E272 PolarHBondContact O-N 2.9Å; E272-L274 PolarHBondContact O-N 3.06Å; E272-T275 PolarHBondContact O-N 2.9Å; E272-T275 PolarHBondContact O-OG1 2.99Å; E272-L276 HydrophobicContact CG-CD1 4.27Å; E272-L276 WeakPolarHBondContact O-CG 3.37Å; E272-L276 PolarHBondContact O-N 2.89Å
273C97.3Very high96.8Very high78 Ų78106.1 Ų106.153%0.52751%0.513SS..Hα-helixtrans-60.4-36.3174.6-66.30000112K269 Y270 Y277K269-C273 PolarHBondContact O-N 2.68Å; K269-C273 PolarHBondContact O-SG 3.41Å; Y270-C273 PolarHBondContact O-N 3.48Å; C273-Y277 VanDerWaalsContact O-CB 3.28Å; C273-Y277 WeakPolarHBondContact O-CB 3.37Å; C273-Y277 PolarHBondContact O-N 2.8Å
274L97.3Very high96.5Very high90 Ų90104.1 Ų104.147%0.47150%0.502SS..Hα-helixtrans-72.8-35.7178.8-176.561.6000112.4Y270 D271 E272 Y277 N278Y270-L274 WeakPolarHBondContact O-CB 3.15Å; Y270-L274 PolarHBondContact O-N 3.33Å; D271-L274 WeakPolarHBondContact O-CB 3.31Å; D271-L274 PolarHBondContact O-N 2.93Å; E272-L274 PolarHBondContact O-N 3.06Å; L274-Y277 HydrophobicContact CD1-CD1 4.48Å; L274-N278 WeakPolarHBondContact O-CB 3.26Å; L274-N278 PolarHBondContact O-N 2.94Å; L274-N278 PolarHBondContact O-ND2 2.84Å
275T96.9Very high96.3Very high90 Ų90103.4 Ų103.455%0.55250%0.496SS*.Hα-helixtrans-66.8-48.1173.157.70000110.6D271 E272 Y277 N278 E279D271-T275 WeakPolarHBondContact O-CG2 3.48Å; D271-T275 PolarHBondContact O-N 3.36Å; E272-T275 PolarHBondContact O-N 2.9Å; E272-T275 PolarHBondContact O-OG1 2.99Å; T275-Y277 VanDerWaalsContact C-N 3.33Å; T275-Y277 PolarHBondContact O-N 3.08Å; T275-N278 PolarHBondContact O-N 3.02Å; T275-N278 VanDerWaalsContact O-N 3.1Å; T275-E279 WeakPolarHBondContact O-CB 3.39Å; T275-E279 PolarHBondContact O-N 3.33Å
276L96.5Very high96.1Very high95 Ų95101.2 Ų101.250%0.49749%0.492SS..Hα-helixtrans-59.2-40.9175.8-68.4171.7000112.3E272 E279 A280E272-L276 HydrophobicContact CG-CD1 4.27Å; E272-L276 WeakPolarHBondContact O-CG 3.37Å; E272-L276 PolarHBondContact O-N 2.89Å; L276-E279 PolarHBondContact O-N 2.79Å; L276-A280 WeakPolarHBondContact O-CB 3.46Å; L276-A280 PolarHBondContact O-N 3.11Å
277Y97.1Very high95.7Very high142 Ų142101.4 Ų101.456%0.55749%0.493SS*.Hα-helixtrans-61.6-44.2173.5173.3-95.5000112.3C273 L274 T275 R281C273-Y277 VanDerWaalsContact O-CB 3.28Å; C273-Y277 WeakPolarHBondContact O-CB 3.37Å; C273-Y277 PolarHBondContact O-N 2.8Å; L274-Y277 HydrophobicContact CD1-CD1 4.48Å; T275-Y277 VanDerWaalsContact C-N 3.33Å; T275-Y277 PolarHBondContact O-N 3.08Å; Y277-R281 VanDerWaalsContact O-CB 3.24Å; Y277-R281 WeakPolarHBondContact O-CB 3.24Å; Y277-R281 PolarHBondContact O-N 3.33Å
278N97Very high95.3Very high64 Ų64101.4 Ų101.434%0.34249%0.493SS..Hα-helixtrans-69.1-36.8178.2-78.9-54.5000112.1L274 T275 R281 L282L274-N278 WeakPolarHBondContact O-CB 3.26Å; L274-N278 PolarHBondContact O-N 2.94Å; L274-N278 PolarHBondContact O-ND2 2.84Å; T275-N278 PolarHBondContact O-N 3.02Å; T275-N278 VanDerWaalsContact O-N 3.1Å; N278-R281 PolarHBondContact O-N 3.34Å; N278-L282 WeakPolarHBondContact O-CB 3.37Å; N278-L282 VanDerWaalsContact O-CG 3.3Å; N278-L282 WeakPolarHBondContact O-CG 3.34Å; N278-L282 PolarHBondContact O-N 2.65Å
279E95.6Very high94.7Very high128 Ų128104.3 Ų104.360%0.59850%0.502SS*.Hα-helixtrans-61.8-53.4173.3-176.7170.5-16300111T275 L276 R281 L282 E283T275-E279 WeakPolarHBondContact O-CB 3.39Å; T275-E279 PolarHBondContact O-N 3.33Å; L276-E279 PolarHBondContact O-N 2.79Å; E279-R281 PolarHBondContact O-N 3.34Å; E279-L282 CarbonylContact O-C 3.52Å; E279-L282 WeakPolarHBondContact O-CA 3.25Å; E279-L282 WeakPolarHBondContact O-CB 3.36Å; E279-L282 PolarHBondContact O-N 2.78Å; E279-E283 PolarHBondContact O-N 3.42Å
280A96.1Very high93.9Very high45 Ų45108.3 Ų108.337%0.37251%0.514SS..Hα-helixtrans-57.4-37.8175.200000112.2L276 E283 I284L276-A280 WeakPolarHBondContact O-CB 3.46Å; L276-A280 PolarHBondContact O-N 3.11Å; A280-E283 PolarHBondContact O-N 2.86Å; A280-I284 WeakPolarHBondContact O-CB 3.48Å; A280-I284 VanDerWaalsContact O-CG1 3.24Å; A280-I284 WeakPolarHBondContact O-CG1 3.31Å; A280-I284 PolarHBondContact O-N 2.95Å
281R96.7Very high92.8Very high130 Ų130104.5 Ų104.549%0.49151%0.512SS..Hα-helixtrans-67.9-33.7175-173.8179177.5-161.62.1112.7Y277 N278 E279 R285Y277-R281 VanDerWaalsContact O-CB 3.24Å; Y277-R281 WeakPolarHBondContact O-CB 3.24Å; Y277-R281 PolarHBondContact O-N 3.33Å; N278-R281 PolarHBondContact O-N 3.34Å; E279-R281 PolarHBondContact O-N 3.34Å; R281-R285 WeakPolarHBondContact O-CB 3.44Å; R281-R285 PolarHBondContact O-N 3.35Å; R281-R285 VanDerWaalsContact O-N 3.16Å
282L95.2Very high91.4Very high100 Ų100109.8 Ų109.852%0.52453%0.525SS..Hα-helixtrans-73.8-39172.8-74.3172.9000111.5N278 E279 R285 G286N278-L282 WeakPolarHBondContact O-CB 3.37Å; N278-L282 VanDerWaalsContact O-CG 3.3Å; N278-L282 WeakPolarHBondContact O-CG 3.34Å; N278-L282 PolarHBondContact O-N 2.65Å; E279-L282 CarbonylContact O-C 3.52Å; E279-L282 WeakPolarHBondContact O-CA 3.25Å; E279-L282 WeakPolarHBondContact O-CB 3.36Å; E279-L282 PolarHBondContact O-N 2.78Å; L282-R285 CarbonylContact O-C 3.52Å; L282-R285 WeakPolarHBondContact O-CB 3.35Å; L282-R285 PolarHBondContact O-N 2.98Å; L282-G286 PolarHBondContact O-N 3.38Å
283E93.6Very high89.6Confident124 Ų124115.4 Ų115.458%0.57954%0.541SS*.Hα-helixtrans-61.9-51174.6-168.3-171.6-175.400110.6E279 A280 R285 G286 L287E279-E283 PolarHBondContact O-N 3.42Å; A280-E283 PolarHBondContact O-N 2.86Å; E283-R285 PolarHBondContact O-N 3.33Å; E283-G286 CarbonylContact O-C 3.58Å; E283-G286 WeakPolarHBondContact O-CA 3.36Å; E283-G286 PolarHBondContact O-N 2.87Å; E283-L287 HydrophobicContact CG-CD1 4.24Å; E283-L287 HydrophobicContact CG-CG 4.4Å; E283-L287 WeakPolarHBondContact O-CG 3.5Å; E283-L287 PolarHBondContact O-N 3.4Å
284I91.3Very high87.7Confident79 Ų79114.3 Ų114.341%0.40554%0.543SS..Hα-helixtrans-55.9-39173.5-69.5165.2000111A280 R288A280-I284 WeakPolarHBondContact O-CB 3.48Å; A280-I284 VanDerWaalsContact O-CG1 3.24Å; A280-I284 WeakPolarHBondContact O-CG1 3.31Å; A280-I284 PolarHBondContact O-N 2.95Å; I284-R288 HydrophobicContact CG2-CG 4.48Å; I284-R288 WeakPolarHBondContact O-CB 3.45Å; I284-R288 WeakPolarHBondContact O-CG 3.18Å; I284-R288 PolarHBondContact O-N 3.33Å
285R93Very high85.3Confident120 Ų120118.6 Ų118.645%0.45356%0.555SS.*Hα-helixtrans-67.1-38175.3-167.4-173.4-58.5177.32.7111.7R281 L282 E283 K289R281-R285 WeakPolarHBondContact O-CB 3.44Å; R281-R285 PolarHBondContact O-N 3.35Å; R281-R285 VanDerWaalsContact O-N 3.16Å; L282-R285 CarbonylContact O-C 3.52Å; L282-R285 WeakPolarHBondContact O-CB 3.35Å; L282-R285 PolarHBondContact O-N 2.98Å; E283-R285 PolarHBondContact O-N 3.33Å; R285-K289 WeakPolarHBondContact O-CB 3.33Å; R285-K289 WeakPolarHBondContact O-CG 3.4Å; R285-K289 PolarHBondContact O-N 3.25Å
286G92.2Very high83Confident35 Ų35125.6 Ų125.636%0.36157%0.573SS.*Hα-helixtrans-65.9-47.4174.200000112.4L282 E283 R288 K289 R290L282-G286 PolarHBondContact O-N 3.38Å; E283-G286 CarbonylContact O-C 3.58Å; E283-G286 WeakPolarHBondContact O-CA 3.36Å; E283-G286 PolarHBondContact O-N 2.87Å; G286-R288 PolarHBondContact O-N 3.45Å; G286-K289 WeakPolarHBondContact O-CB 3.28Å; G286-K289 PolarHBondContact O-N 3Å; G286-R290 WeakPolarHBondContact O-CB 3.23Å; G286-R290 PolarHBondContact O-N 2.96Å
287L88.5Confident80.5Confident86 Ų86132.6 Ų132.645%0.4559%0.592SS.*Hα-helixtrans-60.5-42.7173.9-67.7174.7000111.4E283 R290 S291E283-L287 HydrophobicContact CG-CD1 4.24Å; E283-L287 HydrophobicContact CG-CG 4.4Å; E283-L287 WeakPolarHBondContact O-CG 3.5Å; E283-L287 PolarHBondContact O-N 3.4Å; L287-R290 PolarHBondContact O-N 2.88Å; L287-S291 VanDerWaalsContact O-CB 3.24Å; L287-S291 WeakPolarHBondContact O-CB 3.47Å; L287-S291 PolarHBondContact O-N 3.44Å
288R90.5Very high77.8Confident173 Ų173130.8 Ų130.865%0.65360%0.598SS**Hα-helixtrans-63.8-39.3173-73.7171.4-175.4177.64.6112.7I284 G286 R292I284-R288 HydrophobicContact CG2-CG 4.48Å; I284-R288 WeakPolarHBondContact O-CB 3.45Å; I284-R288 WeakPolarHBondContact O-CG 3.18Å; I284-R288 PolarHBondContact O-N 3.33Å; G286-R288 PolarHBondContact O-N 3.45Å; R288-R292 WeakPolarHBondContact O-CB 3.28Å; R288-R292 WeakPolarHBondContact O-CG 3.47Å; R288-R292 PolarHBondContact O-N 3.31Å
289K83.5Confident75.1Confident144 Ų144135.3 Ų135.363%0.62662%0.622SS**Hα-helixtrans-65.7-39.8173.5-78.2178177-174.10112.1R285 G286 R293R285-K289 WeakPolarHBondContact O-CB 3.33Å; R285-K289 WeakPolarHBondContact O-CG 3.4Å; R285-K289 PolarHBondContact O-N 3.25Å; G286-K289 WeakPolarHBondContact O-CB 3.28Å; G286-K289 PolarHBondContact O-N 3Å; K289-R293 PolarHBondContact O-N 3.48Å
290R80.2Confident72.6Confident188 Ų188133.7 Ų133.771%0.70963%0.625SS**Hα-helixtrans-69.1-43.8177.1-176.914057.2-178.1-1.9111.5G286 L287 R292 R293G286-R290 WeakPolarHBondContact O-CB 3.23Å; G286-R290 PolarHBondContact O-N 2.96Å; L287-R290 PolarHBondContact O-N 2.88Å; R290-R292 PolarHBondContact O-N 3.11Å; R290-R293 PolarHBondContact O-N 3Å; R290-R293 VanDerWaalsContact O-N 3.08Å
291S75.1Confident70.3Confident84 Ų84138.8 Ų138.859%0.58765%0.645SS**Hα-helixtrans-57.4-45.1171.9172.70000112.1L287 R293 G294L287-S291 VanDerWaalsContact O-CB 3.24Å; L287-S291 WeakPolarHBondContact O-CB 3.47Å; L287-S291 PolarHBondContact O-N 3.44Å; S291-R293 PolarHBondContact O-N 3.12Å; S291-G294 PolarHBondContact O-N 2.79Å
292R68.3Low67.8Low195 Ų195139.7 Ų139.774%0.73666%0.658SS**THydrogen-bonded Turntrans-68.1-11.9175.8-74.3-173.3-174.9-106.84115.1R288 R290 Y295R288-R292 WeakPolarHBondContact O-CB 3.28Å; R288-R292 WeakPolarHBondContact O-CG 3.47Å; R288-R292 PolarHBondContact O-N 3.31Å; R290-R292 PolarHBondContact O-N 3.11Å; R292-Y295 WeakPolarHBondContact O-CD2 3.18Å
293R59.4Low65Low233 Ų233140 Ų14088%0.87967%0.668SS**THydrogen-bonded Turntrans-944.7170.6-72.9-167.4176.3-144.10.2113.5K289 R290 S291K289-R293 PolarHBondContact O-N 3.48Å; R290-R293 PolarHBondContact O-N 3Å; R290-R293 VanDerWaalsContact O-N 3.08Å; S291-R293 PolarHBondContact O-N 3.12Å
294G56.6Low62.3Low55 Ų55139 Ų13957%0.56768%0.676SS**  trans-87.34.6-17700000116.8S291 Y296S291-G294 PolarHBondContact O-N 2.79Å; G294-Y296 VanDerWaalsContact C-N 3.33Å; G294-Y296 PolarHBondContact O-N 3.41Å
295Y47.6Very low59.4Low181 Ų181140.8 Ų140.871%0.7170%0.695SS**  trans-80.965.7-171.8-66.7-71.6000114.6R292R292-Y295 WeakPolarHBondContact O-CD2 3.18Å
296Y49.1Very low56.8Low237 Ų237140.6 Ų140.693%0.92971%0.712SS**SBendtrans-154.355.1157.9-83.1-62000113.4G294G294-Y296 VanDerWaalsContact C-N 3.33Å; G294-Y296 PolarHBondContact O-N 3.41Å
297R42.9Very low54.7Low242 Ų242145.7 Ų145.791%0.91374%0.736SS**  trans-166.7136.5143.8-123.3-169.5175.8-152.2-0.5112.1
298P42.2Very low52.6Low103 Ų103147.2 Ų147.267%0.66975%0.748SS**  trans-100160.6-179.937.9-34.1000113.9
299N39.2Very low50Low159 Ų159146.7 Ų146.785%0.8576%0.759SS**  trans68.7146.8167-52.7-10.6000115.6
300S43.4Very low47.9Very low95 Ų95145.4 Ų145.466%0.66476%0.763SS**  cis-151.8134.911.7-1560000112.7
301L46.9Very low46Very low151 Ų151141 Ų14179%0.79177%0.766SS**  trans45.7144.8137.8-58.7175.9000123.9
302I45.7Very low44.2Very low150 Ų150144.5 Ų144.577%0.76978%0.777SS**  trans86.379.2157.6-54.6134.4000117.9
303S36.8Very low42.7Very low105 Ų105143.3 Ų143.373%0.73478%0.784SS**  28.6126.6116.1-51.90000122.3
304S35.4Very low42.3Very low105 Ų105138 Ų13873%0.73478%0.78SS**  trans79.590.2131.9-56.50000121.2
305S31.9Very low41.3Very low115 Ų115140.5 Ų140.580%0.80479%0.789SS**  44.9116.512263.90000120.8
306S36.7Very low41.1Very low116 Ų116139.7 Ų139.781%0.81180%0.796SS**  trans168.7100.6130.3178.80000112
307V49Very low40.9Very low143 Ų143134.2 Ų134.287%0.86779%0.789SS**  trans-156.2102.2159.2-114.60000112.4
308V43.3Very low41Very low117 Ų117128.1 Ų128.171%0.70978%0.781SS**  trans17.2134.2149.8-71.90000123.7
309N37.1Very low40.9Very low163 Ų163127.7 Ų127.787%0.87278%0.78SS**  trans174.573139.4-89.6-18.4000109.3
310T39.5Very low41.1Very low117 Ų117130.9 Ų130.972%0.71878%0.782SS**  80.897.784.1-50.40000116.1
311A39.3Very low40.7Very low94 Ų94134.3 Ų134.378%0.77779%0.792SS**  trans58.9143.6160.200000119.3
312I37.6Very low40.2Very low158 Ų158135.4 Ų135.481%0.8180%0.799SS**  cis-139.4124.525.3-62.4162.9000110.5
313L36.8Very low39.8Very low170 Ų170130.9 Ų130.989%0.8979%0.79SS**  trans-170.8126.9166-119.4149.3000111.4
314P50.9Low39.8Very low123 Ų123131.1 Ų131.180%0.79980%0.798SS**  trans-102.7135.9170.73.517.4000113
315S36.9Very low39.9Very low107 Ų107129.8 Ų129.875%0.74879%0.793SS**  trans-109.5146172.655.80000112.2
316L43.7Very low40.3Very low163 Ų163132 Ų13285%0.85380%0.795SS**  trans27.9144.4154.9-88.573.6000122.1
317P44.1Very low40.4Very low122 Ų122132.4 Ų132.479%0.79279%0.793SS**  trans-120.1161.3137.136.6-28000113.9
318P45.3Very low39.8Very low115 Ų115130.9 Ų130.975%0.74779%0.786SS**  trans-111.2-165.8-17143.2-35.7000115
319S39.7Very low39.4Very low93 Ų93134.1 Ų134.165%0.6579%0.794SS**  trans89.3139.8179.273.40000115.6
320Y42.8Very low39.4Very low226 Ų226131.1 Ų131.189%0.88679%0.785SS**  cis-131149.121.7-70.9-98.7000114.3
321L35.6Very low39.2Very low167 Ų167133 Ų13387%0.87479%0.791SS**  trans-141.9119.8169.5-141.6-179.6000108.6
322N37.1Very low39Very low174 Ų174136.6 Ų136.693%0.9379%0.791SS**  trans-172.4129.7166.4-127.217.3000108
323G36Very low38.6Very low56 Ų56134.7 Ų134.758%0.57778%0.783SS**  cis169.7152.7-1000000111.3
324A37.7Very low38.4Very low109 Ų109135.1 Ų135.190%0.90178%0.78SS**  trans66.7148.8161.900000117.9
325A37.7Very low37.5Very low78 Ų78137.5 Ų137.565%0.64579%0.785SS**  cis-170.4148-4.500000112.1
326L38.4Very low37.2Very low162 Ų162143.9 Ų143.985%0.84880%0.795SS**  trans64.6145.1154.2-53.7165.4000117.5
327T39.1Very low36.7Very low123 Ų123143.9 Ų143.976%0.75579%0.79SS**  cis-159.5161.1-4.79.40000109.6
328P36.1Very low36Very low112 Ų112141.4 Ų141.473%0.72778%0.775SS**  trans-107.5152.6-171.638.8-31000114.9
329Q35.6Very low35.4Very low185 Ų185143.5 Ų143.586%0.86477%0.774SS**  trans-168151.2140.8-130.7169.4-88.500115.8
330S37.9Very low35Very low99 Ų99145.9 Ų145.969%0.69278%0.775SS**  trans61.3118.9154.850.60000120.9
331D33.7Very low34.6Very low157 Ų157141 Ų14184%0.8477%0.773SS**  trans-40150.3153.7-45.5-78.9000114
332Q35.3Very low34.6Very low169 Ų169137.7 Ų137.779%0.7977%0.765SS**  170.4120101.4-167.8156.318.900112.4
333D30.7Very low34.4Very low119 Ų119137.1 Ų137.164%0.63676%0.76SS**  trans43.8129.7152.3-58.1-38.9000124
334H31.9Very low34.2Very low179 Ų179139.4 Ų139.483%0.82977%0.768SS**  trans81.3144.1149.5-63.8-49.6000122.1
335L32.5Very low34Very low172 Ų172138 Ų13890%0.90176%0.756SS**  trans75.889.5165.9-61.6167.2000118.4H337L335-H337 PolarHBondContact O-N 2.82Å
336Y30.3Very low33.7Very low242 Ų242142.6 Ų142.695%0.94976%0.764SS**  trans-65.7118.1157.1-93.7-94000110.9
337H32Very low33.5Very low162 Ų162141.9 Ų141.975%0.7576%0.756SS**  trans-137.8147.2156.5-16169.3000112L335L335-H337 PolarHBondContact O-N 2.82Å
338C29.4Very low33.3Very low70 Ų70142.7 Ų142.747%0.47376%0.755SS.*  trans-46155.9-173.7-54.60000117.7H340C338-H340 VanDerWaalsContact CB-CE1 3.46Å; C338-H340 WeakPolarHBondContact CB-CE1 3.42Å
339H34.1Very low33.4Very low160 Ų160144.1 Ų144.174%0.74176%0.762SS**  -169.9106.7115.4-76.4-40.1000109
340H31Very low33.5Very low143 Ų143140.2 Ų140.266%0.66276%0.755SS**  68.9123.289.5-48.7-27.7000116.8C338C338-H340 VanDerWaalsContact CB-CE1 3.46Å; C338-H340 WeakPolarHBondContact CB-CE1 3.42Å
341S34.5Very low33.4Very low122 Ų122143.9 Ų143.985%0.85377%0.767SS**  trans155.4133.2134.4-74.80000110.3
342S35Very low33.4Very low99 Ų99140 Ų14069%0.69276%0.764SS**  cis-163.4147.1-3.3-1590000111.7
343L33.3Very low33.6Very low161 Ų161138 Ų13884%0.84377%0.768SS**  trans79.2131.4159.5-58.9139.3000118.7
344S32.2Very low33.9Very low104 Ų104138.6 Ų138.673%0.72778%0.776SS**  cis-158.8117.6-9.5-179.40000112
345A32.5Very low34.3Very low81 Ų81135.2 Ų135.267%0.66977%0.773SS**  trans24.9148.3148.400000123.3
346H32.9Very low34.4Very low173 Ų173133 Ų13380%0.80177%0.772SS**  cis-170.6127-24.6-107.2-73.1000105.5
347Q34.3Very low34.9Very low147 Ų147129.6 Ų129.669%0.68777%0.769SS**  73.792.674.5-138.574.119.500113.3
348L35Very low35.1Very low141 Ų141129 Ų12974%0.73877%0.771SS**  71.6140.394.5-64.8-173000118.1
349V37.1Very low35.6Very low141 Ų141133.2 Ų133.286%0.85579%0.786SS**  trans-136.3138.9153.61770000105.3
350S37.8Very low35.6Very low104 Ų104132.5 Ų132.573%0.72779%0.787SS**  cis169.792.6-31.3-95.20000104.4
351D36.4Very low35.8Very low176 Ų176131.8 Ų131.894%0.94179%0.793SS**  trans-81137173.4-77.1-42.3000110.9
352G33.5Very low35.9Very low75 Ų75131.2 Ų131.277%0.77378%0.784SS**  trans-93.2122.5175.800000112.2
353S38.7Very low35.8Very low126 Ų126134.2 Ų134.288%0.88179%0.788SS**  trans-145.8116.8162.4-79.60000110.1
354T38.5Very low36Very low132 Ų132133.5 Ų133.581%0.8179%0.785SS**  trans-97.6129-170.648.50000112.7
355S38.4Very low36.1Very low108 Ų108134.2 Ų134.276%0.75579%0.787SS**  trans53.3108146.361.50000119.5
356S35.6Very low36.2Very low126 Ų126135.8 Ų135.888%0.88179%0.793SS**  trans-80.3150.5141.1-64.20000109.9
357L40.2Very low36.4Very low170 Ų170131.5 Ų131.589%0.8978%0.782SS**  trans-140.4123169.9-165.992.1000109.5
358D36.3Very low36.5Very low149 Ų149131.6 Ų131.680%0.79779%0.788SS**  trans-82.5140.9171.4-67.1-62.7000111.4
359M40Very low36.9Very low159 Ų159133 Ų13378%0.78379%0.79SS**  173.7128105.6-109.4-169.548.900114.7
360L35.1Very low37.4Very low145 Ų145132.9 Ų132.976%0.75978%0.784SS**  trans32.1126.8134.7-64.1169.7000120.8
361T35.7Very low38Very low129 Ų129135.6 Ų135.679%0.79179%0.785SS**  -178.9107.4117.2-75.20000113.2
362T35.5Very low38.9Very low109 Ų109132.2 Ų132.267%0.66977%0.771SS**  trans64.5120.3136.4-490000123.2
363Q34.1Very low39.9Very low163 Ų163131.6 Ų131.676%0.76276%0.755SS**  trans59.798.9150.2-68.8171-400121.1
364N36.6Very low41.5Very low146 Ų146131.6 Ų131.678%0.78174%0.744SS**  166148.899.8-86.7-54.5000111.5
365P34.5Very low43.1Very low119 Ų119128 Ų12877%0.77373%0.728SS**  trans-99.196.2-171.535.9-31000113.8
366S33.5Very low44.7Very low114 Ų114125.2 Ų125.280%0.79771%0.712SS**SBendtrans-179.564.8159.758.40000115
367S37.5Very low46.6Very low83 Ų83123.8 Ų123.858%0.5869%0.694SS**  trans-156.310.4174.2-159.20000118.5H369S367-H369 PolarHBondContact O-N 2.8Å
368D37.6Very low48.6Very low149 Ų149121.6 Ų121.680%0.79768%0.682SS**THydrogen-bonded Turntrans-81.135.5-157.8-54.1-17.7000116.3
369H42Very low50.7Low171 Ų171119.2 Ų119.279%0.79267%0.673SS**THydrogen-bonded Turntrans-129-8179.9-119.9-57.6000116.4S367S367-H369 PolarHBondContact O-N 2.8Å
370L47.1Very low52.4Low138 Ų138117.6 Ų117.672%0.72366%0.663SS**SBendtrans-100.1-41.7177.7-109.781.4000114.1T372 S373 L374L370-T372 PolarHBondContact O-N 3.28Å; L370-S373 VanDerWaalsContact O-CB 3.3Å; L370-S373 WeakPolarHBondContact O-CB 3.32Å; L370-S373 PolarHBondContact O-N 2.83Å; L370-S373 VanDerWaalsContact O-N 3.1Å; L370-L374 PolarHBondContact O-N 3.44Å
371E51.7Low54.8Low160 Ų160113.2 Ų113.275%0.74865%0.648SS**Hα-helixtrans-69.8-37-170.6-62.5-170.2157.600112.6S373 L374 A375E371-S373 VanDerWaalsContact C-N 3.26Å; E371-S373 PolarHBondContact O-N 2.8Å; E371-L374 PolarHBondContact O-N 3.27Å; E371-A375 PolarHBondContact O-N 3.48Å; E371-A375 VanDerWaalsContact O-N 3.12Å
372T53.9Low57.1Low106 Ų106115.2 Ų115.265%0.6565%0.646SS**Hα-helixtrans-64.3-30.9171.9-20.20000112.2L370 A376L370-T372 PolarHBondContact O-N 3.28Å; T372-A376 WeakPolarHBondContact O-CB 3.45Å; T372-A376 PolarHBondContact O-N 2.84Å
373S54.9Low59.2Low61 Ų61116 Ų11643%0.42764%0.643SS.*Hα-helixtrans-67.7-48.1172.9-165.60000110.3L370 E371 A375 A376 D377L370-S373 VanDerWaalsContact O-CB 3.3Å; L370-S373 WeakPolarHBondContact O-CB 3.32Å; L370-S373 PolarHBondContact O-N 2.83Å; L370-S373 VanDerWaalsContact O-N 3.1Å; E371-S373 VanDerWaalsContact C-N 3.26Å; E371-S373 PolarHBondContact O-N 2.8Å; S373-A375 VanDerWaalsContact C-N 3.32Å; S373-A375 PolarHBondContact O-N 2.99Å; S373-A376 CarbonylContact O-C 3.54Å; S373-A376 PolarHBondContact O-N 3.25Å; S373-A376 VanDerWaalsContact O-N 3.1Å; S373-D377 WeakPolarHBondContact O-CB 3.47Å; S373-D377 VanDerWaalsContact O-CG 3.24Å; S373-D377 PolarHBondContact O-N 3.37Å; S373-D377 VanDerWaalsContact O-OD2 3.04Å; S373-D377 PolarHBondContact OG-OD2 3.22Å; S373-D377 VanDerWaalsContact OG-OD2 3.05Å
374L72.9Confident61.7Low126 Ų126115 Ų11566%0.6664%0.637SS**Hα-helixtrans-65.7-34.2-175.4-163.9137.5000112.7L370 E371 L378L370-L374 PolarHBondContact O-N 3.44Å; E371-L374 PolarHBondContact O-N 3.27Å; L374-L378 WeakPolarHBondContact O-CB 3.25Å; L374-L378 PolarHBondContact O-N 2.95Å
375A71.7Confident63.8Low58 Ų58114.1 Ų114.148%0.47963%0.628SS.*Hα-helixtrans-66.9-44.5170.800000112.3E371 S373 L378 V379E371-A375 PolarHBondContact O-N 3.48Å; E371-A375 VanDerWaalsContact O-N 3.12Å; S373-A375 VanDerWaalsContact C-N 3.32Å; S373-A375 PolarHBondContact O-N 2.99Å; A375-L378 PolarHBondContact O-N 3.45Å; A375-V379 WeakPolarHBondContact O-CG2 3.39Å; A375-V379 PolarHBondContact O-N 3.01Å
376A73.4Confident66.2Low49 Ų49114.8 Ų114.841%0.40562%0.62SS.*Hα-helixtrans-64.6-39.8176.100000112.3T372 S373 V379 H380T372-A376 WeakPolarHBondContact O-CB 3.45Å; T372-A376 PolarHBondContact O-N 2.84Å; S373-A376 CarbonylContact O-C 3.54Å; S373-A376 PolarHBondContact O-N 3.25Å; S373-A376 VanDerWaalsContact O-N 3.1Å; A376-V379 PolarHBondContact O-N 2.85Å; A376-H380 WeakPolarHBondContact O-CB 3.37Å; A376-H380 PolarHBondContact O-N 2.87Å
377D75Confident68.7Low95 Ų95111.6 Ų111.651%0.50860%0.601SS.*Hα-helixtrans-65.3-38.9176.4-73.9-43.7000111.4S373 H380 A381S373-D377 WeakPolarHBondContact O-CB 3.47Å; S373-D377 VanDerWaalsContact O-CG 3.24Å; S373-D377 PolarHBondContact O-N 3.37Å; S373-D377 VanDerWaalsContact O-OD2 3.04Å; S373-D377 PolarHBondContact OG-OD2 3.22Å; S373-D377 VanDerWaalsContact OG-OD2 3.05Å; D377-H380 PolarHBondContact O-N 3.2Å; D377-A381 VanDerWaalsContact O-CB 3.23Å; D377-A381 WeakPolarHBondContact O-CB 3.49Å; D377-A381 PolarHBondContact O-N 3.31Å
378L81.7Confident71.1Confident124 Ų124113.3 Ų113.365%0.64960%0.598SS**Hα-helixtrans-67.4-41.2175.1-17070.8000111.9L374 A375 A381 K382L374-L378 WeakPolarHBondContact O-CB 3.25Å; L374-L378 PolarHBondContact O-N 2.95Å; A375-L378 PolarHBondContact O-N 3.45Å; L378-A381 PolarHBondContact O-N 2.85Å; L378-K382 WeakPolarHBondContact O-CB 3.28Å; L378-K382 PolarHBondContact O-N 2.94Å
379V80.1Confident73.5Confident99 Ų99109.3 Ų109.360%0.658%0.576SS**Hα-helixtrans-65-45.3174.2172.20000110.7A375 A376 A381 K382 M383A375-V379 WeakPolarHBondContact O-CG2 3.39Å; A375-V379 PolarHBondContact O-N 3.01Å; A376-V379 PolarHBondContact O-N 2.85Å; V379-A381 VanDerWaalsContact C-N 3.35Å; V379-A381 PolarHBondContact O-N 3.42Å; V379-K382 PolarHBondContact O-N 3.43Å; V379-M383 WeakPolarHBondContact O-CB 3.43Å; V379-M383 PolarHBondContact O-N 2.86Å
380H76.8Confident75.5Confident125 Ų125106 Ų10658%0.57956%0.564SS**Hα-helixtrans-62.2-39.1174.9-97-68.2000112.6A376 D377 K384A376-H380 WeakPolarHBondContact O-CB 3.37Å; A376-H380 PolarHBondContact O-N 2.87Å; D377-H380 PolarHBondContact O-N 3.2Å; H380-K384 VanDerWaalsContact O-CB 3.26Å; H380-K384 WeakPolarHBondContact O-CB 3.45Å; H380-K384 PolarHBondContact O-N 3.3Å
381A84.1Confident77.4Confident54 Ų54104.7 Ų104.745%0.44656%0.556SS.*Hα-helixtrans-63.3-46.5175.500000111.5D377 L378 V379 K384 E385D377-A381 VanDerWaalsContact O-CB 3.23Å; D377-A381 WeakPolarHBondContact O-CB 3.49Å; D377-A381 PolarHBondContact O-N 3.31Å; L378-A381 PolarHBondContact O-N 2.85Å; V379-A381 VanDerWaalsContact C-N 3.35Å; V379-A381 PolarHBondContact O-N 3.42Å; A381-K384 PolarHBondContact O-N 3.42Å; A381-E385 PolarHBondContact O-N 3.05Å
382K84.7Confident79.2Confident170 Ų170102.8 Ų102.874%0.73955%0.545SS*.Hα-helixtrans-66.4-37.9178.5-156.6179.9-173-1760112.1L378 V379 K384 E385 H386L378-K382 WeakPolarHBondContact O-CB 3.28Å; L378-K382 PolarHBondContact O-N 2.94Å; V379-K382 PolarHBondContact O-N 3.43Å; K382-K384 VanDerWaalsContact C-N 3.34Å; K382-E385 PolarHBondContact O-N 3.37Å; K382-H386 PolarHBondContact O-N 2.93Å
383M80Confident80.7Confident125 Ų125103.7 Ų103.762%0.61654%0.542SS*.Hα-helixtrans-68.7-33.5174.6-159168.491.700112V379 H386 A387V379-M383 WeakPolarHBondContact O-CB 3.43Å; V379-M383 PolarHBondContact O-N 2.86Å; M383-H386 PolarHBondContact O-N 2.86Å; M383-A387 WeakPolarHBondContact O-CB 3.5Å; M383-A387 PolarHBondContact O-N 2.89Å
384K86.1Confident82.3Confident143 Ų143105.9 Ų105.962%0.62255%0.548SS*.Hα-helixtrans-68.8-38.6173.5-171.9176.9-178.8-179.30112.4H380 A381 K382 K388H380-K384 VanDerWaalsContact O-CB 3.26Å; H380-K384 WeakPolarHBondContact O-CB 3.45Å; H380-K384 PolarHBondContact O-N 3.3Å; A381-K384 PolarHBondContact O-N 3.42Å; K382-K384 VanDerWaalsContact C-N 3.34Å; K384-K388 WeakPolarHBondContact O-CB 3.43Å; K384-K388 PolarHBondContact O-N 3.1Å; K384-K388 VanDerWaalsContact O-N 3.07Å
385E80.9Confident83Confident128 Ų128106.3 Ų106.360%0.59855%0.545SS*.Hα-helixtrans-60.8-50.9170.4-78.8-117.3112.900111.2A381 K382 A387 K388 D389A381-E385 PolarHBondContact O-N 3.05Å; K382-E385 PolarHBondContact O-N 3.37Å; E385-A387 VanDerWaalsContact C-N 3.32Å; E385-A387 PolarHBondContact O-N 3.48Å; E385-K388 WeakPolarHBondContact O-CA 3.4Å; E385-K388 VanDerWaalsContact O-CB 3.28Å; E385-K388 WeakPolarHBondContact O-CB 3.41Å; E385-K388 PolarHBondContact O-N 2.79Å; E385-D389 PolarHBondContact O-N 3.45Å
386H84.8Confident83.7Confident133 Ų133111.5 Ų111.562%0.61655%0.552SS**Hα-helixtrans-58.6-41.8179.4-171.3-98.1000112.5K382 M383 K388 D389 N390K382-H386 PolarHBondContact O-N 2.93Å; M383-H386 PolarHBondContact O-N 2.86Å; H386-K388 VanDerWaalsContact C-N 3.3Å; H386-K388 PolarHBondContact O-N 2.95Å; H386-D389 PolarHBondContact O-N 2.86Å; H386-N390 WeakPolarHBondContact O-CB 3.38Å; H386-N390 PolarHBondContact O-N 3.36Å
387A86.6Confident84.3Confident46 Ų46111.2 Ų111.238%0.3855%0.549SS..Hα-helixtrans-63.2-35173.400000112.8M383 E385 M391M383-A387 WeakPolarHBondContact O-CB 3.5Å; M383-A387 PolarHBondContact O-N 2.89Å; E385-A387 VanDerWaalsContact C-N 3.32Å; E385-A387 PolarHBondContact O-N 3.48Å; A387-M391 PolarHBondContact O-N 2.92Å; A387-M391 VanDerWaalsContact O-N 3.07Å
388K87.5Confident84.5Confident120 Ų120111.4 Ų111.452%0.52255%0.549SS..Hα-helixtrans-68.9-39.9177.8-152.9175.7-170.3-179.20111.6K384 E385 H386 K392K384-K388 WeakPolarHBondContact O-CB 3.43Å; K384-K388 PolarHBondContact O-N 3.1Å; K384-K388 VanDerWaalsContact O-N 3.07Å; E385-K388 WeakPolarHBondContact O-CA 3.4Å; E385-K388 VanDerWaalsContact O-CB 3.28Å; E385-K388 WeakPolarHBondContact O-CB 3.41Å; E385-K388 PolarHBondContact O-N 2.79Å; H386-K388 VanDerWaalsContact C-N 3.3Å; H386-K388 PolarHBondContact O-N 2.95Å; K388-K392 WeakPolarHBondContact O-CG 3.45Å; K388-K392 PolarHBondContact O-N 3.36Å
389D87.1Confident84.6Confident64 Ų64108.4 Ų108.434%0.34253%0.533SS..Hα-helixtrans-73-39.2175.9-72.9-21.8000112.3E385 H386 M391 K392 H393E385-D389 PolarHBondContact O-N 3.45Å; H386-D389 PolarHBondContact O-N 2.86Å; D389-M391 VanDerWaalsContact C-N 3.28Å; D389-M391 PolarHBondContact O-N 3.2Å; D389-K392 WeakPolarHBondContact O-CB 3.44Å; D389-K392 PolarHBondContact O-N 2.89Å; D389-K392 WeakPolarHBondContact OD1-CD 3.38Å; D389-K392 WeakPolarHBondContact OD1-CE 3.36Å; D389-K392 IonicContact OD1-NZ 2.62Å; D389-K392 PolarHBondContact OD1-NZ 3.36Å; D389-H393 PolarHBondContact O-CD2 3.12Å; D389-H393 VanDerWaalsContact O-CD2 3.28Å; D389-H393 PolarHBondContact O-N 3.34Å
390N84.7Confident84.6Confident102 Ų102109.6 Ų109.655%0.54553%0.532SS..Hα-helixtrans-62.3-36.7175.2-150.411.7000111.6H386 H393 L394H386-N390 WeakPolarHBondContact O-CB 3.38Å; H386-N390 PolarHBondContact O-N 3.36Å; N390-H393 PolarHBondContact O-N 3.39Å; N390-L394 WeakPolarHBondContact O-CB 3.39Å; N390-L394 PolarHBondContact O-N 2.9Å
391M86.9Confident84.4Confident111 Ų111107.8 Ų107.855%0.54753%0.53SS..Hα-helixtrans-64.3-39.7169.5-80.3-171.6-77.500113.4A387 D389 H393 L394 F395A387-M391 PolarHBondContact O-N 2.92Å; A387-M391 VanDerWaalsContact O-N 3.07Å; D389-M391 VanDerWaalsContact C-N 3.28Å; D389-M391 PolarHBondContact O-N 3.2Å; M391-H393 VanDerWaalsContact C-N 3.32Å; M391-H393 PolarHBondContact O-N 2.82Å; M391-L394 PolarHBondContact O-N 2.9Å; M391-F395 WeakPolarHBondContact O-CD2 3.32Å; M391-F395 PolarHBondContact O-N 2.95Å
392K89.4Confident83.6Confident119 Ų119111.3 Ų111.352%0.51753%0.532SS..Hα-helixtrans-62.9-39.6174.1-66.5169.3-162.9164.10111.5K388 D389 R396K388-K392 WeakPolarHBondContact O-CG 3.45Å; K388-K392 PolarHBondContact O-N 3.36Å; D389-K392 WeakPolarHBondContact O-CB 3.44Å; D389-K392 PolarHBondContact O-N 2.89Å; D389-K392 WeakPolarHBondContact OD1-CD 3.38Å; D389-K392 WeakPolarHBondContact OD1-CE 3.36Å; D389-K392 IonicContact OD1-NZ 2.62Å; D389-K392 PolarHBondContact OD1-NZ 3.36Å; K392-R396 WeakPolarHBondContact O-CB 3.31Å; K392-R396 PolarHBondContact O-N 3.49Å
393H86.3Confident82.5Confident125 Ų125109.1 Ų109.158%0.57952%0.524SS*.Hα-helixtrans-65.3-43.1175.1-82.2-76.6000111.7D389 N390 M391 R396 A397D389-H393 PolarHBondContact O-CD2 3.12Å; D389-H393 VanDerWaalsContact O-CD2 3.28Å; D389-H393 PolarHBondContact O-N 3.34Å; N390-H393 PolarHBondContact O-N 3.39Å; M391-H393 VanDerWaalsContact C-N 3.32Å; M391-H393 PolarHBondContact O-N 2.82Å; H393-R396 PolarHBondContact O-N 2.88Å; H393-A397 WeakPolarHBondContact O-CB 3.49Å; H393-A397 PolarHBondContact O-N 3.28Å
394L88.8Confident81.4Confident108 Ų108108.2 Ų108.257%0.56553%0.525SS*.Hα-helixtrans-61.3-45.6175.5-171.269.3000112N390 M391 R396 A397 M398N390-L394 WeakPolarHBondContact O-CB 3.39Å; N390-L394 PolarHBondContact O-N 2.9Å; M391-L394 PolarHBondContact O-N 2.9Å; L394-R396 PolarHBondContact O-N 2.92Å; L394-A397 PolarHBondContact O-N 3.49Å; L394-M398 HydrophobicContact CG-SD 4.46Å; L394-M398 WeakPolarHBondContact O-CB 3.37Å; L394-M398 WeakPolarHBondContact O-CG 3.42Å; L394-M398 PolarHBondContact O-N 2.95Å
395F85.6Confident79.5Confident134 Ų134109 Ų10959%0.58853%0.531SS*.Hα-helixtrans-61.1-43.2174.9-95.5-77.5000112.2M391 A397 M398 D399M391-F395 WeakPolarHBondContact O-CD2 3.32Å; M391-F395 PolarHBondContact O-N 2.95Å; F395-A397 PolarHBondContact O-N 2.87Å; F395-M398 PolarHBondContact O-N 3.47Å; F395-D399 PolarHBondContact O-N 3.37Å
396R88.1Confident77.8Confident168 Ų168107.8 Ų107.863%0.63453%0.533SS*.Hα-helixtrans-63.1-40.7176.8-171.1-179.7-61.1-136.6-0112.2K392 H393 L394 D399 Q400K392-R396 WeakPolarHBondContact O-CB 3.31Å; K392-R396 PolarHBondContact O-N 3.49Å; H393-R396 PolarHBondContact O-N 2.88Å; L394-R396 PolarHBondContact O-N 2.92Å; R396-D399 PolarHBondContact O-N 3.42Å; R396-Q400 VanDerWaalsContact O-CG 3.32Å; R396-Q400 WeakPolarHBondContact O-CG 3.44Å; R396-Q400 PolarHBondContact O-N 2.86Å
397A84.8Confident75.6Confident42 Ų42109 Ų10935%0.34754%0.542SS..Hα-helixtrans-67-42.5175.500000111.7H393 L394 F395 D399 Q400 V401H393-A397 WeakPolarHBondContact O-CB 3.49Å; H393-A397 PolarHBondContact O-N 3.28Å; L394-A397 PolarHBondContact O-N 3.49Å; F395-A397 PolarHBondContact O-N 2.87Å; A397-D399 VanDerWaalsContact C-N 3.34Å; A397-D399 PolarHBondContact O-N 3.32Å; A397-Q400 PolarHBondContact O-N 3.47Å; A397-V401 WeakPolarHBondContact O-CG2 3.37Å; A397-V401 PolarHBondContact O-N 2.67Å
398M80.7Confident73.1Confident99 Ų99111.6 Ų111.649%0.48856%0.558SS.*Hα-helixtrans-63-38174.6-76.1-176.666.400112.6L394 F395 R402L394-M398 HydrophobicContact CG-SD 4.46Å; L394-M398 WeakPolarHBondContact O-CB 3.37Å; L394-M398 WeakPolarHBondContact O-CG 3.42Å; L394-M398 PolarHBondContact O-N 2.95Å; F395-M398 PolarHBondContact O-N 3.47Å; M398-R402 WeakPolarHBondContact O-CB 3.32Å; M398-R402 PolarHBondContact O-N 2.95Å
399D83.2Confident70.5Confident62 Ų62114 Ų11433%0.33258%0.577SS.*Hα-helixtrans-68.6-42.6174.4-76-12.1000111F395 R396 A397 V401 R402 H403F395-D399 PolarHBondContact O-N 3.37Å; R396-D399 PolarHBondContact O-N 3.42Å; A397-D399 VanDerWaalsContact C-N 3.34Å; A397-D399 PolarHBondContact O-N 3.32Å; D399-V401 PolarHBondContact O-N 3.09Å; D399-R402 PolarHBondContact O-N 3.08Å; D399-R402 VanDerWaalsContact O-N 3.09Å; D399-R402 IonicContact OD1-CZ 3.08Å; D399-R402 IonicContact OD1-NH1 2.66Å; D399-R402 PolarHBondContact OD1-NH1 2.96Å; D399-R402 IonicContact OD1-NH2 3.26Å; D399-R402 PolarHBondContact OD1-NH2 2.94Å; D399-H403 PolarHBondContact O-N 3.48Å; D399-H403 PolarHBondContact O-ND1 2.71Å
400Q80Confident68.2Low124 Ų124118.8 Ų118.858%0.57960%0.602SS**Hα-helixtrans-55.8-47173-76.4171.9-15.900112R396 A397 R402 H403 T404R396-Q400 VanDerWaalsContact O-CG 3.32Å; R396-Q400 WeakPolarHBondContact O-CG 3.44Å; R396-Q400 PolarHBondContact O-N 2.86Å; A397-Q400 PolarHBondContact O-N 3.47Å; Q400-R402 VanDerWaalsContact C-N 3.32Å; Q400-R402 PolarHBondContact O-N 3.19Å; Q400-H403 PolarHBondContact O-N 2.95Å; Q400-T404 PolarHBondContact O-N 3.29Å; Q400-T404 VanDerWaalsContact O-N 3.08Å; Q400-T404 PolarHBondContact O-OG1 3.44Å
401V72.3Confident65.9Low87 Ų87119 Ų11953%0.52761%0.609SS.*Hα-helixtrans-64.9-33.8175.7174.10000112.3A397 D399 H403 T404 H405A397-V401 WeakPolarHBondContact O-CG2 3.37Å; A397-V401 PolarHBondContact O-N 2.67Å; D399-V401 PolarHBondContact O-N 3.09Å; V401-H403 VanDerWaalsContact C-N 3.33Å; V401-T404 PolarHBondContact O-OG1 3.41Å; V401-T404 VanDerWaalsContact O-OG1 3.05Å; V401-H405 PolarHBondContact O-N 3.48Å
402R67.8Low63.5Low128 Ų128119.9 Ų119.948%0.48362%0.621SS.*Hα-helixtrans-68.8-32.3175.2-154.9-179-52.4113.918.7112.1M398 D399 Q400 T406M398-R402 WeakPolarHBondContact O-CB 3.32Å; M398-R402 PolarHBondContact O-N 2.95Å; D399-R402 PolarHBondContact O-N 3.08Å; D399-R402 VanDerWaalsContact O-N 3.09Å; D399-R402 IonicContact OD1-CZ 3.08Å; D399-R402 IonicContact OD1-NH1 2.66Å; D399-R402 PolarHBondContact OD1-NH1 2.96Å; D399-R402 IonicContact OD1-NH2 3.26Å; D399-R402 PolarHBondContact OD1-NH2 2.94Å; Q400-R402 VanDerWaalsContact C-N 3.32Å; Q400-R402 PolarHBondContact O-N 3.19Å; R402-T406 WeakPolarHBondContact O-CG2 3.1Å; R402-T406 PolarHBondContact O-OG1 2.9Å
403H61.7Low61.1Low124 Ų124121.1 Ų121.157%0.57464%0.639SS**Hα-helixtrans-81.2-24179-6956.6000112.8D399 Q400 V401 T406D399-H403 PolarHBondContact O-N 3.48Å; D399-H403 PolarHBondContact O-ND1 2.71Å; Q400-H403 PolarHBondContact O-N 2.95Å; V401-H403 VanDerWaalsContact C-N 3.33Å; H403-T406 PolarHBondContact O-OG1 3.45Å
404T55.3Low58.3Low105 Ų105121.5 Ų121.564%0.64465%0.65SS**Hα-helixtrans-78.2-21.8172.654.60000113.5Q400 V401Q400-T404 PolarHBondContact O-N 3.29Å; Q400-T404 VanDerWaalsContact O-N 3.08Å; Q400-T404 PolarHBondContact O-OG1 3.44Å; V401-T404 PolarHBondContact O-OG1 3.41Å; V401-T404 VanDerWaalsContact O-OG1 3.05Å
405H48.1Very low55.9Low159 Ų159121.8 Ų121.874%0.73666%0.659SS**SBendtrans-90.2-2177.7-94.3-78.6000115.4V401V401-H405 PolarHBondContact O-N 3.48Å
406T44.1Very low53.2Low104 Ų104121.8 Ų121.864%0.63867%0.67SS**SBendtrans-10817.1-176.6530000114.8R402 H403R402-T406 WeakPolarHBondContact O-CG2 3.1Å; R402-T406 PolarHBondContact O-OG1 2.9Å; H403-T406 PolarHBondContact O-OG1 3.45Å
407L38.3Very low50.8Low157 Ų157118.6 Ų118.682%0.82268%0.679SS**SBendtrans-12453176.1-86.2122000112.3
408S34.4Very low48.1Very low102 Ų102122.6 Ų122.671%0.71370%0.699SS**  trans-163.689.7165.2-172.40000109.9
409N33.8Very low45.9Very low170 Ų170123.8 Ų123.891%0.90971%0.712SS**  trans175.579.4160.9-90.7-31.9000109.3
410D37.9Very low43.3Very low164 Ų164126.7 Ų126.788%0.87773%0.732SS**  trans-146.8124.4164.2-143.70.2000108.9
411P37.1Very low41.3Very low106 Ų106127 Ų12769%0.68874%0.737SS**  trans-92.9135.8-168.933.8-32.9000113.6
412T35Very low39.3Very low130 Ų130128.9 Ų128.980%0.79874%0.744SS**  trans57.5104.9155.443.60000119.1
413T38.9Very low38Very low146 Ų146132.2 Ų132.290%0.89676%0.762SS**  -163124.8116.59.50000111.4
414T29.1Very low36.6Very low133 Ų133132.2 Ų132.282%0.81677%0.766SS**  trans-75.5144.516738.40000109.6
415P38.7Very low35.8Very low114 Ų114134.1 Ų134.174%0.7477%0.773SS**  -144.6138.285.435.9-18.4000116.6
416T28.6Very low35.3Very low134 Ų134132.7 Ų132.782%0.82277%0.77SS**  30.4100.8127.7-420000119.4
417A36.3Very low34.9Very low100 Ų100134.3 Ų134.383%0.82678%0.775SS**  trans-155.4106.7144.900000111.8
418T28.8Very low34.9Very low127 Ų127133.7 Ų133.778%0.77977%0.773SS**  trans-61.3134.3166.9-52.80000111.1
419T33.5Very low34.9Very low124 Ų124133.4 Ų133.476%0.76177%0.771SS**  trans-170.1119.3135.8-76.60000111.5I421T419-I421 HydrophobicContact CG2-CG1 4.13Å
420T29.7Very low34.8Very low122 Ų122129.4 Ų129.475%0.74876%0.756SS**  trans-71.8123.7169.4-51.40000111.5
421I38.3Very low34.8Very low131 Ų131130.1 Ų130.167%0.67275%0.754SS**  trans-144.6119.1152.8-51.9-179000109.9T419 F423T419-I421 HydrophobicContact CG2-CG1 4.13Å; I421-F423 HydrophobicContact CG2-CD2 4.13Å; I421-F423 HydrophobicContact CG2-CE2 3.74Å; I421-F423 HydrophobicContact CG2-CZ 4.49Å
422N30.7Very low34.6Very low126 Ų126132 Ų13267%0.67476%0.758SS**  trans-74.9147.7167-73.7-13.1000110.6
423F39.4Very low34.5Very low198 Ų198133.8 Ų133.887%0.86876%0.761SS**  trans-137.4116141.9-83-71.3000110.7I421I421-F423 HydrophobicContact CG2-CD2 4.13Å; I421-F423 HydrophobicContact CG2-CE2 3.74Å; I421-F423 HydrophobicContact CG2-CZ 4.49Å
424N33.1Very low34.1Very low124 Ų124132.2 Ų132.266%0.66375%0.751SS**  trans-75.7158.4163.9-61.9-18000109.5
425N38.8Very low34.2Very low145 Ų145133.7 Ų133.778%0.77575%0.753SS**  trans-168.5112.3137.5-83.4-23.4000104
426D37.1Very low33.9Very low129 Ų129135 Ų13569%0.6975%0.753SS**  70.4128.181.2-626.8000110.4
427D35.3Very low34.2Very low138 Ų138137.4 Ų137.474%0.73875%0.754SS**  cis-166.4-178.3-6.4-140-25.8000110
428N38.6Very low34.2Very low144 Ų144137.8 Ų137.877%0.7775%0.751SS**  trans90.493176.6-52.8-61.6000115.6
429S34Very low34.3Very low97 Ų97135.3 Ų135.368%0.67875%0.751SS**  64.48972.4-165.60000111.9
430S32.4Very low34.5Very low85 Ų85137.1 Ų137.159%0.59476%0.755SS**  83.2126.474840000114.1
431H37.3Very low35Very low179 Ų179139.5 Ų139.583%0.82976%0.758SS**  -174.5147.5119.4-9631000110.6
432N32.7Very low34.7Very low146 Ų146141 Ų14178%0.78177%0.767SS**  trans-95.5163.2-162.4-55.9-54.4000113.2
433I33.1Very low35.2Very low168 Ų168141.2 Ų141.286%0.86277%0.773SS**  179.7143.8105.7-89159.8000111.1
434T29.9Very low35.1Very low112 Ų112138.6 Ų138.669%0.68777%0.773SS**  trans-102.7144.4-168.1-43.70000113.2I436T434-I436 HydrophobicContact CG2-CG1 4.22Å
435L32.8Very low35.2Very low165 Ų165137.8 Ų137.886%0.86478%0.777SS**  trans-15092.4155.5-93.7167.3000106.3
436I32.4Very low35Very low141 Ų141136.9 Ų136.972%0.72378%0.782SS**  60.69884-53.9174.4000113.3T434T434-I436 HydrophobicContact CG2-CG1 4.22Å
437E34.7Very low34.8Very low184 Ų184136.3 Ų136.386%0.8679%0.788SS**  trans-148.5115.1146.9-163.7161.7-153.600111.4
438S35.8Very low34.7Very low109 Ų109133 Ų13376%0.76279%0.786SS**  trans41.7113.8143-47.80000123.1
439G31.5Very low34.6Very low74 Ų74136.6 Ų136.676%0.76380%0.795SS**  93.193119.200000120.7
440L37.4Very low34.8Very low162 Ų162138.7 Ų138.785%0.84880%0.804SS**  trans-145.1111.3152.8-75.8176.5000107.3
441E39.4Very low34.8Very low173 Ų173140 Ų14081%0.80881%0.813SS**  75.293.583.2-69.4-71.9153.600112.4T443E441-T443 PolarHBondContact O-N 3.36Å
442D33.1Very low34.9Very low163 Ų163135.1 Ų135.187%0.87281%0.811SS**  trans-74.7113.7-178.4-79.5-46.9000112.8
443T39.9Very low35.2Very low129 Ų129133.2 Ų133.279%0.79181%0.809SS**  trans-93.1106.3166.755.30000111.1E441 S445E441-T443 PolarHBondContact O-N 3.36Å; T443-S445 PolarHBondContact O-N 2.89Å
444V36.8Very low35.3Very low144 Ų144133.8 Ų133.887%0.87381%0.808SS**  trans-74.197.9176.4-175.80000110.4
445S36.7Very low35.7Very low106 Ų106133.4 Ų133.474%0.74181%0.808SS**  trans-78.1119168.6-73.30000110.9T443 S447T443-S445 PolarHBondContact O-N 2.89Å; S445-S447 PolarHBondContact O-N 2.69Å
446S33.8Very low35.8Very low126 Ų126130.3 Ų130.388%0.88180%0.8SS**  trans-73.8111.7174.9169.60000111.6
447S32.5Very low36.1Very low118 Ų118131.2 Ų131.283%0.82581%0.806SS**  trans-145.4129.2163.565.90000111S445S445-S447 PolarHBondContact O-N 2.69Å
448G33.7Very low36.2Very low68 Ų68129.7 Ų129.770%0.70180%0.804SS**  trans157.477.2179.600000115
449F36.7Very low36.6Very low219 Ų219128.9 Ų128.996%0.96180%0.796SS**  trans-131.4130.6153.3-100.7-81000109.5
450V37.4Very low36.9Very low141 Ų141133.7 Ų133.786%0.85580%0.798SS**  trans-100.6149.9-172.6167.70000110.6
451S33.8Very low36.7Very low114 Ų114135.4 Ų135.480%0.79780%0.799SS**  trans-59.5148.8-174.2-168.50000115.4
452G38.6Very low36.5Very low76 Ų76135.7 Ų135.778%0.78480%0.8SS**  trans-149.799.2165.100000111.3
453S39Very low36.2Very low105 Ų105138.3 Ų138.373%0.73480%0.798SS**  trans-64.7163.2165.46.50000110.6
454E35.6Very low35.9Very low180 Ų180141.2 Ų141.284%0.84180%0.8SS**  cis-168.8-168.616.7-124.8-172.5175.400106.6
455P38.9Very low35.6Very low105 Ų105139.4 Ų139.468%0.68279%0.789SS**  cis-132.5171.2-34.336.3-18.9000114.7
456S33.6Very low35.6Very low99 Ų99143.4 Ų143.469%0.69279%0.793SS**  trans43.7118.7145.5-148.30000122.7
457D40.1Very low35.5Very low160 Ų160142 Ų14286%0.85678%0.783SS**  -166147.294.2-94.2-12.2000113.7
458N35.6Very low35.6Very low153 Ų153144.4 Ų144.482%0.81878%0.781SS**  trans-131.7-177.6-175-15011000105.8
459P44.3Very low35.5Very low91 Ų91149.5 Ų149.559%0.59179%0.787SS**  cis-137.2174.6-6.742.7-26.1000115.6
460H37.6Very low35.5Very low176 Ų176145.3 Ų145.382%0.81578%0.779SS**  -166118.3121.6-108.7-68.5000112.9
461K33.2Very low35.5Very low198 Ų198143 Ų14386%0.86177%0.769SS**  trans-92.9142.8159.8-71.1175.9176.8174.30108.6
462Q36.7Very low35.6Very low179 Ų179144.7 Ų144.784%0.83677%0.77SS**  trans-142.2130.7144.4-112.2-177.214.600111.3
463R26.8Very low35.6Very low218 Ų218146.4 Ų146.482%0.82377%0.77SS**  trans-107.2128.4-179.2169.6-171.7-173.6175.33.9106.5V465R463-V465 HydrophobicContact CG-CG2 4.43Å
464F32Very low35.4Very low189 Ų189145 Ų14583%0.82977%0.772SS**  trans-125.4124163.6-107.2-84.2000110.7
465V31Very low35.4Very low107 Ų107141.9 Ų141.965%0.64877%0.77SS**  trans-111.7129.6170.1173.60000105.5R463R463-V465 HydrophobicContact CG-CG2 4.43Å
466K36.1Very low35.4Very low190 Ų190141.9 Ų141.983%0.82677%0.769SS**  trans-149.6140.6152-157.1142.2-176.3-179.60112.5
467S32.5Very low35.4Very low95 Ų95147.8 Ų147.866%0.66478%0.778SS**  trans-109.4148.1-175.851.40000111
468E34.6Very low34.9Very low170 Ų170145.7 Ų145.779%0.79478%0.776SS**  trans-160.3112.1152.6-103.7151-147.600104.6
469Q31Very low34.9Very low174 Ų174144.3 Ų144.381%0.81377%0.773SS**  74.110555-162.9178.353.700113.3
470T36.5Very low34.2Very low132 Ų132149.9 Ų149.981%0.8178%0.783SS**  trans151.4145.9140.8430000108.8
471S37.5Very low34.3Very low92 Ų92147.3 Ų147.364%0.64378%0.781SS**  cis-167.6166.1-15.8480000109.2
472N37.3Very low34.3Very low150 Ų150146.9 Ų146.980%0.80278%0.78SS**  trans72.7145.1164.3-58.5-12000119.2
473S37.4Very low34.2Very low112 Ų112144.1 Ų144.178%0.78377%0.77SS**  cis-177.3144.7-23.949.90000109.9
474G35.6Very low35Very low75 Ų75139 Ų13977%0.77376%0.764SS**  trans100.384.8169.200000113.7
475S35.8Very low35Very low115 Ų115135.7 Ų135.780%0.80476%0.756SS**  88.9134.557.7-165.50000112.8
476P37.1Very low35.2Very low104 Ų104140.4 Ų140.468%0.67577%0.768SS**  trans-117.9140-152.137.4-23.2000114.8
477Y34.9Very low35.5Very low224 Ų224136.8 Ų136.888%0.87876%0.761SS**  trans-140.3120.7159.6-82.4-74.3000113.6
478S29.3Very low36Very low115 Ų115135.7 Ų135.780%0.80475%0.753SS**  trans-6.8116.9153.5-171.40000116.8
479T35Very low36.6Very low125 Ų125133 Ų13377%0.76775%0.751SS**  trans-143.2110.5148.6-65.40000110
480R30.5Very low37.6Very low208 Ų208131 Ų13179%0.78575%0.745SS**PPolyproline II helixtrans-46.7135.3169.5-144.1178.8-170.5-1583110.8F482R480-F482 PolarHBondContact O-N 3.49Å
481P39.9Very low38.3Very low121 Ų121131.1 Ų131.179%0.78674%0.736SS**PPolyproline II helixtrans-63.9121.6163.1-1327.6000108I483P481-I483 PolarHBondContact O-N 3.02Å
482F33.6Very low38.8Very low189 Ų189132.4 Ų132.483%0.82973%0.734SS**PPolyproline II helixtrans-61.7127.7176.4-94.8-105.9000110.2R480 P484R480-F482 PolarHBondContact O-N 3.49Å; F482-P484 WeakPolarHBondContact O-CD 3.35Å
483I34.6Very low39.7Very low122 Ų122127.3 Ų127.363%0.62671%0.713SS**PPolyproline II helixtrans-69.6121.7159.7-61.4170000106.1P481 D485P481-I483 PolarHBondContact O-N 3.02Å; I483-D485 VanDerWaalsContact C-N 3.32Å; I483-D485 PolarHBondContact O-N 2.97Å; I483-D485 VanDerWaalsContact O-N 3.12Å
484P42.9Very low40.9Very low109 Ų109126.1 Ų126.171%0.70870%0.695SS**  trans-7989.8164.39.97.4000107.2F482F482-P484 WeakPolarHBondContact O-CD 3.35Å
485D32.9Very low42.4Very low121 Ų121124.5 Ų124.565%0.64767%0.674SS**  trans-59.7150.6167.3-73.8-45.9000110I483I483-D485 VanDerWaalsContact C-N 3.32Å; I483-D485 PolarHBondContact O-N 2.97Å; I483-D485 VanDerWaalsContact O-N 3.12Å
486F34.9Very low44.1Very low206 Ų206123.6 Ų123.690%0.90466%0.658SS**  trans68.458.8177.9-58-84.6000117.8
487V41.9Very low46Very low113 Ų113127.5 Ų127.569%0.68566%0.659SS**  trans-91.4109.4147.6-177.50000108.9H491V487-H491 HydrophobicContact CG1-CB 4.09Å
488S43.5Very low48.2Very low72 Ų72124.1 Ų124.150%0.50364%0.644SS.*  trans-58.7150.1-175.4-460000112.8I490 H491S488-I490 PolarHBondContact O-N 3.27Å; S488-H491 PolarHBondContact O-N 3.49Å
489P46Very low50.5Low115 Ų115127.2 Ų127.275%0.74764%0.64SS**Hα-helixtrans-54.3-16.3-178.6-2835.4000115.9A493P489-A493 WeakPolarHBondContact O-CB 3.33Å; P489-A493 PolarHBondContact O-N 3.39Å
490I52.8Low52.8Low132 Ų132125.8 Ų125.868%0.67763%0.627SS**Hα-helixtrans-65.5-38.2-178.7-55.5172.6000111.9S488 H494S488-I490 PolarHBondContact O-N 3.27Å; I490-H494 WeakPolarHBondContact O-CB 3.32Å; I490-H494 PolarHBondContact O-N 2.96Å
491H50.5Low55.2Low134 Ų134124.5 Ų124.562%0.6262%0.623SS**Hα-helixtrans-78.1-35.9-176.1-99.2-86.2000113.6V487 S488 H494 A495V487-H491 HydrophobicContact CG1-CB 4.09Å; S488-H491 PolarHBondContact O-N 3.49Å; H491-H494 PolarHBondContact O-N 3.44Å; H491-A495 PolarHBondContact O-N 3.11Å
492L48.7Very low57.5Low118 Ų118123.2 Ų123.262%0.61861%0.608SS**Hα-helixtrans-70.4-39.6174.3-170.362.1000111.2H494 A495 E496L492-H494 VanDerWaalsContact C-N 3.26Å; L492-H494 PolarHBondContact O-N 2.7Å; L492-A495 PolarHBondContact O-N 2.96Å; L492-A495 VanDerWaalsContact O-N 3.12Å; L492-E496 PolarHBondContact O-N 3.42Å
493A55.8Low59.9Low43 Ų43122.4 Ų122.436%0.35560%0.601SS.*Hα-helixtrans-61.6-33.2170.900000112.6P489 R497P489-A493 WeakPolarHBondContact O-CB 3.33Å; P489-A493 PolarHBondContact O-N 3.39Å; A493-R497 VanDerWaalsContact O-CB 3.28Å; A493-R497 WeakPolarHBondContact O-CB 3.38Å; A493-R497 VanDerWaalsContact O-CG 3.28Å; A493-R497 WeakPolarHBondContact O-CG 3.47Å; A493-R497 PolarHBondContact O-N 3.02Å
494H62.5Low62.4Low88 Ų88120.8 Ų120.841%0.40759%0.593SS.*Hα-helixtrans-70.5-36.6173.1-163.1-19.1000112I490 H491 L492 R498I490-H494 WeakPolarHBondContact O-CB 3.32Å; I490-H494 PolarHBondContact O-N 2.96Å; H491-H494 PolarHBondContact O-N 3.44Å; L492-H494 VanDerWaalsContact C-N 3.26Å; L492-H494 PolarHBondContact O-N 2.7Å; H494-R498 PolarHBondContact CE1-NE 3.39Å; H494-R498 PolarHBondContact ND1-NE 2.9Å; H494-R498 PolarHBondContact NE2-NH2 2.93Å; H494-R498 WeakPolarHBondContact O-CG 3.28Å; H494-R498 PolarHBondContact O-N 2.94Å
495A67.6Low64.6Low41 Ų41123 Ų12334%0.33959%0.588SS.*Hα-helixtrans-65.7-48.8174.600000111.8H491 L492 R497 R498 Y499H491-A495 PolarHBondContact O-N 3.11Å; L492-A495 PolarHBondContact O-N 2.96Å; L492-A495 VanDerWaalsContact O-N 3.12Å; A495-R497 VanDerWaalsContact C-N 3.34Å; A495-R497 PolarHBondContact O-N 3.07Å; A495-R498 PolarHBondContact O-N 3.43Å; A495-R498 VanDerWaalsContact O-N 3.11Å; A495-Y499 PolarHBondContact O-N 3.17Å
496E72.3Confident67.3Low96 Ų96122 Ų12245%0.44958%0.582SS.*Hα-helixtrans-57.6-45.3173.8-71.4-176.2174.400111.3L492 R498 Y499 I500L492-E496 PolarHBondContact O-N 3.42Å; E496-R498 VanDerWaalsContact C-N 3.34Å; E496-R498 PolarHBondContact O-N 3.07Å; E496-Y499 PolarHBondContact O-N 3.3Å; E496-I500 WeakPolarHBondContact O-CG1 3.45Å; E496-I500 PolarHBondContact O-N 3.03Å
497R77.1Confident69.8Low185 Ų185115.5 Ų115.570%0.69856%0.559SS**Hα-helixtrans-61.4-36.2174.9-79.7-179.8175.6-172.7-0.5113.2A493 A495 Y501A493-R497 VanDerWaalsContact O-CB 3.28Å; A493-R497 WeakPolarHBondContact O-CB 3.38Å; A493-R497 VanDerWaalsContact O-CG 3.28Å; A493-R497 WeakPolarHBondContact O-CG 3.47Å; A493-R497 PolarHBondContact O-N 3.02Å; A495-R497 VanDerWaalsContact C-N 3.34Å; A495-R497 PolarHBondContact O-N 3.07Å; R497-Y501 WeakPolarHBondContact O-CB 3.28Å; R497-Y501 PolarHBondContact O-N 3.33Å
498R79.9Confident72Confident153 Ų153115.3 Ų115.358%0.57755%0.554SS**Hα-helixtrans-66.1-46175.2-77.9177.8-164.6-159.40.9111.3H494 A495 E496 I500 Y501 I502H494-R498 PolarHBondContact CE1-NE 3.39Å; H494-R498 PolarHBondContact ND1-NE 2.9Å; H494-R498 PolarHBondContact NE2-NH2 2.93Å; H494-R498 WeakPolarHBondContact O-CG 3.28Å; H494-R498 PolarHBondContact O-N 2.94Å; A495-R498 PolarHBondContact O-N 3.43Å; A495-R498 VanDerWaalsContact O-N 3.11Å; E496-R498 VanDerWaalsContact C-N 3.34Å; E496-R498 PolarHBondContact O-N 3.07Å; R498-I500 PolarHBondContact O-N 2.95Å; R498-Y501 PolarHBondContact O-N 3.49Å; R498-I502 WeakPolarHBondContact O-CB 3.48Å; R498-I502 WeakPolarHBondContact O-CD1 3.32Å; R498-I502 VanDerWaalsContact O-CG1 3.25Å; R498-I502 WeakPolarHBondContact O-CG1 3.3Å; R498-I502 PolarHBondContact O-N 3.47Å
499Y78Confident74.2Confident180 Ų180116.2 Ų116.271%0.70655%0.552SS**Hα-helixtrans-62.1-42.5176.7-88.9-79.4000112.2A495 E496 I502 Y503A495-Y499 PolarHBondContact O-N 3.17Å; E496-Y499 PolarHBondContact O-N 3.3Å; Y499-I502 PolarHBondContact O-N 3.32Å; Y499-Y503 WeakPolarHBondContact O-CB 3.26Å; Y499-Y503 PolarHBondContact O-N 2.99Å
500I83.3Confident76Confident96 Ų96117.1 Ų117.149%0.49255%0.546SS..Hα-helixtrans-63-44.3175-67.8165.3000111E496 R498 I502 Y503 I504E496-I500 WeakPolarHBondContact O-CG1 3.45Å; E496-I500 PolarHBondContact O-N 3.03Å; R498-I500 PolarHBondContact O-N 2.95Å; I500-I502 PolarHBondContact O-N 2.72Å; I500-Y503 PolarHBondContact O-N 3.32Å; I500-I504 HydrophobicContact CG2-CD1 3.62Å; I500-I504 HydrophobicContact CG2-CG1 4.34Å; I500-I504 WeakPolarHBondContact O-CB 3.4Å; I500-I504 VanDerWaalsContact O-CG1 3.28Å; I500-I504 WeakPolarHBondContact O-CG1 3.23Å; I500-I504 PolarHBondContact O-N 3.39Å
501Y81.4Confident77.4Confident180 Ų180116.6 Ų116.671%0.70654%0.542SS*.Hα-helixtrans-62.3-41.8176.1-110.6-90000112.7R497 R498 Y505R497-Y501 WeakPolarHBondContact O-CB 3.28Å; R497-Y501 PolarHBondContact O-N 3.33Å; R498-Y501 PolarHBondContact O-N 3.49Å; Y501-Y505 WeakPolarHBondContact O-CB 3.41Å; Y501-Y505 PolarHBondContact O-N 3.35Å
502I87.3Confident79Confident94 Ų94116.5 Ų116.548%0.48254%0.54SS..Hα-helixtrans-64.9-44.9177.1-69.9163.5000110.2R498 Y499 I500 Y505 I506R498-I502 WeakPolarHBondContact O-CB 3.48Å; R498-I502 WeakPolarHBondContact O-CD1 3.32Å; R498-I502 VanDerWaalsContact O-CG1 3.25Å; R498-I502 WeakPolarHBondContact O-CG1 3.3Å; R498-I502 PolarHBondContact O-N 3.47Å; Y499-I502 PolarHBondContact O-N 3.32Å; I500-I502 PolarHBondContact O-N 2.72Å; I502-Y505 PolarHBondContact O-N 3.5Å; I502-I506 HydrophobicContact CG2-CD1 3.7Å; I502-I506 HydrophobicContact CG2-CG1 4.42Å; I502-I506 WeakPolarHBondContact O-CB 3.28Å; I502-I506 VanDerWaalsContact O-CG1 3.28Å; I502-I506 WeakPolarHBondContact O-CG1 3.36Å; I502-I506 PolarHBondContact O-N 3.28Å
503Y83.6Confident80.6Confident172 Ų172114.2 Ų114.268%0.67553%0.531SS*.Hα-helixtrans-64.2-47.3179.1-158.6-91.1000111.5Y499 I500 Y505 I506 T507Y499-Y503 WeakPolarHBondContact O-CB 3.26Å; Y499-Y503 PolarHBondContact O-N 2.99Å; I500-Y503 PolarHBondContact O-N 3.32Å; Y503-Y505 VanDerWaalsContact C-N 3.33Å; Y503-Y505 PolarHBondContact O-N 2.92Å; Y503-I506 PolarHBondContact O-N 2.9Å; Y503-T507 PolarHBondContact O-N 2.9Å; Y503-T507 PolarHBondContact O-OG1 3.29Å
504I88.5Confident81.6Confident89 Ų89114.4 Ų114.446%0.45653%0.53SS..Hα-helixtrans-60.2-42.4174.4-69170.7000111I500 T507 L508I500-I504 HydrophobicContact CG2-CD1 3.62Å; I500-I504 HydrophobicContact CG2-CG1 4.34Å; I500-I504 WeakPolarHBondContact O-CB 3.4Å; I500-I504 VanDerWaalsContact O-CG1 3.28Å; I500-I504 WeakPolarHBondContact O-CG1 3.23Å; I500-I504 PolarHBondContact O-N 3.39Å; I504-T507 PolarHBondContact O-N 2.92Å; I504-L508 HydrophobicContact CG2-CD1 3.76Å; I504-L508 HydrophobicContact CG2-CG 4.28Å; I504-L508 VanDerWaalsContact O-CB 3.28Å; I504-L508 WeakPolarHBondContact O-CB 3.48Å; I504-L508 WeakPolarHBondContact O-CG 3.4Å; I504-L508 PolarHBondContact O-N 3Å
505Y89Confident82.1Confident156 Ų156112.5 Ų112.561%0.61253%0.526SS*.Hα-helixtrans-64.2-44.6178-173.3-93.9000111.7Y501 I502 Y503 L508 L509Y501-Y505 WeakPolarHBondContact O-CB 3.41Å; Y501-Y505 PolarHBondContact O-N 3.35Å; I502-Y505 PolarHBondContact O-N 3.5Å; Y503-Y505 VanDerWaalsContact C-N 3.33Å; Y503-Y505 PolarHBondContact O-N 2.92Å; Y505-L508 PolarHBondContact O-N 3.36Å; Y505-L509 HydrophobicContact CE1-CD1 4.37Å; Y505-L509 VanDerWaalsContact O-CB 3.26Å; Y505-L509 WeakPolarHBondContact O-CB 3.41Å; Y505-L509 PolarHBondContact O-N 3.06Å
506I89.1Confident82.2Confident99 Ų99117.5 Ų117.551%0.50854%0.54SS..Hα-helixtrans-63.4-45.1175.8-68.9167.8000110.6I502 Y503 L509 H510I502-I506 HydrophobicContact CG2-CD1 3.7Å; I502-I506 HydrophobicContact CG2-CG1 4.42Å; I502-I506 WeakPolarHBondContact O-CB 3.28Å; I502-I506 VanDerWaalsContact O-CG1 3.28Å; I502-I506 WeakPolarHBondContact O-CG1 3.36Å; I502-I506 PolarHBondContact O-N 3.28Å; Y503-I506 PolarHBondContact O-N 2.9Å; I506-L509 PolarHBondContact O-N 2.9Å; I506-H510 WeakPolarHBondContact O-CB 3.4Å; I506-H510 PolarHBondContact O-N 3.23Å
507T87.2Confident81.4Confident69 Ų69117.4 Ų117.442%0.42354%0.542SS..Hα-helixtrans-64.8-40.9177.8-50.50000111.9Y503 I504 H510 M511Y503-T507 PolarHBondContact O-N 2.9Å; Y503-T507 PolarHBondContact O-OG1 3.29Å; I504-T507 PolarHBondContact O-N 2.92Å; T507-H510 PolarHBondContact O-N 3.42Å; T507-M511 WeakPolarHBondContact O-CB 3.41Å; T507-M511 WeakPolarHBondContact O-CG 3.47Å; T507-M511 PolarHBondContact O-N 2.91Å
508L87.7Confident80.5Confident110 Ų110112.9 Ų112.958%0.57654%0.536SS*.Hα-helixtrans-66.6-38.1173.9-77.9173000112.1I504 Y505 M511 K512I504-L508 HydrophobicContact CG2-CD1 3.76Å; I504-L508 HydrophobicContact CG2-CG 4.28Å; I504-L508 VanDerWaalsContact O-CB 3.28Å; I504-L508 WeakPolarHBondContact O-CB 3.48Å; I504-L508 WeakPolarHBondContact O-CG 3.4Å; I504-L508 PolarHBondContact O-N 3Å; Y505-L508 PolarHBondContact O-N 3.36Å; L508-M511 PolarHBondContact O-N 2.8Å; L508-K512 VanDerWaalsContact O-CB 3.24Å; L508-K512 WeakPolarHBondContact O-CB 3.47Å; L508-K512 PolarHBondContact O-N 2.85Å
509L89.5Confident79.3Confident91 Ų91112.7 Ų112.748%0.47654%0.539SS..Hα-helixtrans-65-44.2174.9-159.680.6000110.2Y505 I506 K512 V513Y505-L509 HydrophobicContact CE1-CD1 4.37Å; Y505-L509 VanDerWaalsContact O-CB 3.26Å; Y505-L509 WeakPolarHBondContact O-CB 3.41Å; Y505-L509 PolarHBondContact O-N 3.06Å; I506-L509 PolarHBondContact O-N 2.9Å; L509-K512 CarbonylContact O-C 3.51Å; L509-K512 PolarHBondContact O-N 3.44Å; L509-K512 VanDerWaalsContact O-N 3.12Å; L509-V513 WeakPolarHBondContact O-CB 3.4Å; L509-V513 VanDerWaalsContact O-CG2 3.31Å; L509-V513 WeakPolarHBondContact O-CG2 3.46Å; L509-V513 PolarHBondContact O-N 3.14Å
510H85.2Confident78.2Confident133 Ų133107 Ų10762%0.61653%0.525SS*.Hα-helixtrans-63.8-43.9176.4-150.5-116.5000111.2I506 T507 K512 V513 S514I506-H510 WeakPolarHBondContact O-CB 3.4Å; I506-H510 PolarHBondContact O-N 3.23Å; T507-H510 PolarHBondContact O-N 3.42Å; H510-K512 VanDerWaalsContact C-N 3.32Å; H510-K512 PolarHBondContact O-N 3.4Å; H510-V513 PolarHBondContact O-N 3.27Å; H510-S514 WeakPolarHBondContact O-CB 3.36Å; H510-S514 PolarHBondContact O-N 3.02Å; H510-S514 PolarHBondContact O-OG 3.02Å; H510-S514 VanDerWaalsContact O-OG 3.11Å
511M81.5Confident76.4Confident121 Ų121106.3 Ų106.360%0.59652%0.523SS*.Hα-helixtrans-62.2-35.6170.8-76.2-102.87400112.6T507 L508 S515T507-M511 WeakPolarHBondContact O-CB 3.41Å; T507-M511 WeakPolarHBondContact O-CG 3.47Å; T507-M511 PolarHBondContact O-N 2.91Å; L508-M511 PolarHBondContact O-N 2.8Å; M511-S515 WeakPolarHBondContact O-CB 3.36Å; M511-S515 PolarHBondContact O-N 3.29Å; M511-S515 PolarHBondContact O-OG 3.12Å
512K84.1Confident74.8Confident132 Ų132100.7 Ų100.757%0.57451%0.514SS*.Hα-helixtrans-72.5-36.3177.3-160.674.1172.5-168.80112L508 L509 H510 S515 K516L508-K512 VanDerWaalsContact O-CB 3.24Å; L508-K512 WeakPolarHBondContact O-CB 3.47Å; L508-K512 PolarHBondContact O-N 2.85Å; L509-K512 CarbonylContact O-C 3.51Å; L509-K512 PolarHBondContact O-N 3.44Å; L509-K512 VanDerWaalsContact O-N 3.12Å; H510-K512 VanDerWaalsContact C-N 3.32Å; H510-K512 PolarHBondContact O-N 3.4Å; K512-S515 WeakPolarHBondContact CA-OG 3.38Å; K512-S515 PolarHBondContact O-OG 3.02Å; K512-K516 VanDerWaalsContact O-CB 3.26Å; K512-K516 WeakPolarHBondContact O-CB 3.49Å; K512-K516 WeakPolarHBondContact O-CG 3.38Å; K512-K516 PolarHBondContact O-N 3.22Å
513V82Confident73Confident70 Ų70100.6 Ų100.642%0.42452%0.517SS..Hα-helixtrans-69.7-52.6173.5171.10000109.4L509 H510 S515 K516 L517L509-V513 WeakPolarHBondContact O-CB 3.4Å; L509-V513 VanDerWaalsContact O-CG2 3.31Å; L509-V513 WeakPolarHBondContact O-CG2 3.46Å; L509-V513 PolarHBondContact O-N 3.14Å; H510-V513 PolarHBondContact O-N 3.27Å; V513-S515 VanDerWaalsContact C-N 3.33Å; V513-S515 PolarHBondContact O-N 2.93Å; V513-K516 CarbonylContact O-C 3.52Å; V513-K516 WeakPolarHBondContact O-CA 3.47Å; V513-K516 PolarHBondContact O-N 2.83Å; V513-L517 HydrophobicContact CG1-CD1 3.92Å; V513-L517 WeakPolarHBondContact O-CD1 3.36Å; V513-L517 PolarHBondContact O-N 3.05Å
514S76.8Confident71Confident48 Ų4897.3 Ų97.334%0.33651%0.511SS..Hα-helixtrans-62-35.1177.1-60.20000113.3H510 T518H510-S514 WeakPolarHBondContact O-CB 3.36Å; H510-S514 PolarHBondContact O-N 3.02Å; H510-S514 PolarHBondContact O-OG 3.02Å; H510-S514 VanDerWaalsContact O-OG 3.11Å; S514-T518 WeakPolarHBondContact O-CB 3.48Å; S514-T518 WeakPolarHBondContact O-CG2 2.98Å; S514-T518 PolarHBondContact O-N 2.75Å; S514-T518 PolarHBondContact O-OG1 3.36Å
515S73.7Confident68.6Low48 Ų48103.4 Ų103.434%0.33653%0.53SS..Hα-helixtrans-77.6-21.417361.90000113.8M511 K512 V513 T518 K519M511-S515 WeakPolarHBondContact O-CB 3.36Å; M511-S515 PolarHBondContact O-N 3.29Å; M511-S515 PolarHBondContact O-OG 3.12Å; K512-S515 WeakPolarHBondContact CA-OG 3.38Å; K512-S515 PolarHBondContact O-OG 3.02Å; V513-S515 VanDerWaalsContact C-N 3.33Å; V513-S515 PolarHBondContact O-N 2.93Å; S515-T518 WeakPolarHBondContact CA-OG1 3.46Å; S515-K519 WeakPolarHBondContact O-CB 3.28Å; S515-K519 VanDerWaalsContact O-CG 3.22Å; S515-K519 WeakPolarHBondContact O-CG 3.39Å; S515-K519 PolarHBondContact O-N 3.34Å
516K68.6Low66.2Low145 Ų145106.2 Ų106.263%0.6354%0.539SS*.Hα-helixtrans-79.6-37.3167.9-86.9-166.7170.3-168.40112.2K512 V513 S520K512-K516 VanDerWaalsContact O-CB 3.26Å; K512-K516 WeakPolarHBondContact O-CB 3.49Å; K512-K516 WeakPolarHBondContact O-CG 3.38Å; K512-K516 PolarHBondContact O-N 3.22Å; V513-K516 CarbonylContact O-C 3.52Å; V513-K516 WeakPolarHBondContact O-CA 3.47Å; V513-K516 PolarHBondContact O-N 2.83Å; K516-S520 WeakPolarHBondContact O-CB 3.43Å; K516-S520 PolarHBondContact O-N 3.1Å; K516-S520 PolarHBondContact O-OG 3.45Å
517L56.9Low63.7Low94 Ų94109.7 Ų109.749%0.49255%0.551SS.*Hα-helixtrans-67.4-53.3173.2-93.868.3000110.2V513 K519 S520 D521V513-L517 HydrophobicContact CG1-CD1 3.92Å; V513-L517 WeakPolarHBondContact O-CD1 3.36Å; V513-L517 PolarHBondContact O-N 3.05Å; L517-K519 PolarHBondContact O-N 3.1Å; L517-K519 VanDerWaalsContact O-N 3.1Å; L517-S520 WeakPolarHBondContact CA-OG 3.44Å; L517-S520 PolarHBondContact O-N 3.39Å; L517-S520 VanDerWaalsContact O-N 3.11Å; L517-S520 PolarHBondContact O-OG 3.42Å; L517-D521 VanDerWaalsContact O-CB 3.27Å; L517-D521 WeakPolarHBondContact O-CB 3.47Å; L517-D521 PolarHBondContact O-N 2.89Å
518T57.3Low61.2Low91 Ų91113.5 Ų113.556%0.55856%0.564SS**Hα-helixtrans-62.1-24.1176.952.50000113.5S514 S515 A522S514-T518 WeakPolarHBondContact O-CB 3.48Å; S514-T518 WeakPolarHBondContact O-CG2 2.98Å; S514-T518 PolarHBondContact O-N 2.75Å; S514-T518 PolarHBondContact O-OG1 3.36Å; S515-T518 WeakPolarHBondContact CA-OG1 3.46Å; T518-A522 WeakPolarHBondContact O-CB 3.3Å; T518-A522 PolarHBondContact O-N 2.96Å
519K55.8Low58.6Low149 Ų149117.9 Ų117.965%0.64858%0.581SS**Hα-helixtrans-87.6-32.1170.6-72.6-178.9177.2-176.70114.3S515 L517 D521 V523S515-K519 WeakPolarHBondContact O-CB 3.28Å; S515-K519 VanDerWaalsContact O-CG 3.22Å; S515-K519 WeakPolarHBondContact O-CG 3.39Å; S515-K519 PolarHBondContact O-N 3.34Å; L517-K519 PolarHBondContact O-N 3.1Å; L517-K519 VanDerWaalsContact O-N 3.1Å; K519-D521 VanDerWaalsContact C-N 3.28Å; K519-V523 WeakPolarHBondContact O-CB 3.46Å; K519-V523 WeakPolarHBondContact O-CG2 3.42Å; K519-V523 PolarHBondContact O-N 3.42Å
520S52.9Low55.9Low59 Ų59117.3 Ų117.341%0.41359%0.585SS.*Hα-helixtrans-63.9-43.2169.758.60000109.2K516 L517 V523 N524K516-S520 WeakPolarHBondContact O-CB 3.43Å; K516-S520 PolarHBondContact O-N 3.1Å; K516-S520 PolarHBondContact O-OG 3.45Å; L517-S520 WeakPolarHBondContact CA-OG 3.44Å; L517-S520 PolarHBondContact O-N 3.39Å; L517-S520 VanDerWaalsContact O-N 3.11Å; L517-S520 PolarHBondContact O-OG 3.42Å; S520-V523 PolarHBondContact O-N 2.82Å; S520-N524 WeakPolarHBondContact O-CB 3.24Å; S520-N524 PolarHBondContact O-N 2.65Å
521D46.2Very low53.7Low83 Ų83116.7 Ų116.744%0.44459%0.591SS.*Hα-helixtrans-74.7-44.5-175.7-56-11.2000109.7L517 K519 V523 N524 Y525L517-D521 VanDerWaalsContact O-CB 3.27Å; L517-D521 WeakPolarHBondContact O-CB 3.47Å; L517-D521 PolarHBondContact O-N 2.89Å; K519-D521 VanDerWaalsContact C-N 3.28Å; D521-V523 VanDerWaalsContact C-N 3.3Å; D521-V523 PolarHBondContact O-N 3.48Å; D521-N524 PolarHBondContact O-N 3.18Å; D521-Y525 WeakPolarHBondContact O-CB 3.41Å; D521-Y525 WeakPolarHBondContact O-CD2 3.24Å; D521-Y525 PolarHBondContact O-N 3.38Å
522A48.4Very low51.5Low62 Ų62118 Ų11851%0.51260%0.6SS.*Hα-helixtrans-69.6-19.3175.200000114.9T518T518-A522 WeakPolarHBondContact O-CB 3.3Å; T518-A522 PolarHBondContact O-N 2.96Å
523V48.9Very low49.2Very low91 Ų91116.9 Ų116.955%0.55261%0.606SS**Hα-helixtrans-89.1-38.6172.3173.40000111K519 S520 D521 R526 F527K519-V523 WeakPolarHBondContact O-CB 3.46Å; K519-V523 WeakPolarHBondContact O-CG2 3.42Å; K519-V523 PolarHBondContact O-N 3.42Å; S520-V523 PolarHBondContact O-N 2.82Å; D521-V523 VanDerWaalsContact C-N 3.3Å; D521-V523 PolarHBondContact O-N 3.48Å; V523-R526 PolarHBondContact O-N 3.23Å; V523-R526 VanDerWaalsContact O-N 3.07Å; V523-F527 PolarHBondContact O-N 3.39Å
524N41.4Very low47.1Very low103 Ų103120.7 Ų120.755%0.55163%0.625SS**Hα-helixtrans-69.3-36.1178.2-154.912.6000111.5S520 D521 R526S520-N524 WeakPolarHBondContact O-CB 3.24Å; S520-N524 PolarHBondContact O-N 2.65Å; D521-N524 PolarHBondContact O-N 3.18Å; N524-R526 PolarHBondContact O-N 2.84Å
525Y38.5Very low45.2Very low218 Ų218129.6 Ų129.686%0.85565%0.653SS**Hα-helixtrans-69.5-5.6170-90.1-85.6000114.8D521D521-Y525 WeakPolarHBondContact O-CB 3.41Å; D521-Y525 WeakPolarHBondContact O-CD2 3.24Å; D521-Y525 PolarHBondContact O-N 3.38Å
526R39.3Very low43.5Very low214 Ų214134.4 Ų134.481%0.80867%0.673SS**Hα-helixtrans-118-2.2-177.3-144.4173.5-160.6168.57.1115.2V523 N524V523-R526 PolarHBondContact O-N 3.23Å; V523-R526 VanDerWaalsContact O-N 3.07Å; N524-R526 PolarHBondContact O-N 2.84Å
527F36Very low42.1Very low172 Ų172133.1 Ų133.175%0.75467%0.673SS**Hα-helixtrans-123.8-9.9-176.6-119.7-88.5000116.4V523V523-F527 PolarHBondContact O-N 3.39Å
528H35.3Very low41.2Very low150 Ų150136.3 Ų136.369%0.69469%0.685SS**  trans-98.523.8176-89.4-73000115S530H528-S530 PolarHBondContact O-N 3.06Å
529Q31.8Very low40.4Very low201 Ų201136.8 Ų136.894%0.93969%0.692SS**  trans-78.242.6169.6-159.1167.982.900112.2
530S33.6Very low39.7Very low79 Ų79138.3 Ų138.355%0.55270%0.702SS**SBendtrans-156.8142.7161.680.50000111.1H528H528-S530 PolarHBondContact O-N 3.06Å
531T39.4Very low38.9Very low120 Ų120142.1 Ų142.174%0.73671%0.711SS**SBendtrans74.4116.7158.6-34.20000118.1
532N35.3Very low38.4Very low148 Ų148148.7 Ų148.779%0.79173%0.73SS**  trans70.298.4167.6-81.9-44.2000119.4
533P35.3Very low37.9Very low109 Ų109153.9 Ų153.971%0.70874%0.743SS**  trans-84.2136.4166.834.7-30.6000111
534N38.7Very low37.5Very low151 Ų151154.9 Ų154.981%0.80775%0.754SS**  trans-175.1-8.7154.8-99.9-35.7000116.1
535Y36.3Very low37.2Very low235 Ų235160.7 Ų160.792%0.92277%0.768SS**SBendtrans-104.57.2-174-93.4-81.3000116.7
536L37.7Very low36.9Very low148 Ų148155.5 Ų155.578%0.77575%0.754SS**  trans-99.624.2178-104.5171.9000113.7
537L39.7Very low36.6Very low119 Ų119148.5 Ų148.562%0.62375%0.749SS**SBendtrans-98.51-174.7-145.375.1000115
538E37.2Very low36.3Very low161 Ų161145.8 Ų145.875%0.75275%0.75SS**SBendtrans-107.8-13.7-168.8-139.558.9-134.700114.6
539S41.1Very low36.3Very low100 Ų100145.6 Ų145.670%0.69975%0.754SS**SBendtrans-102.3-1.5-17652.70000115.2
540E40.7Very low36.5Very low181 Ų181142.4 Ų142.485%0.84675%0.749SS**SBendtrans-119.523.9-174.2-151.6172.1-167.700113.2
541K36.6Very low36.4Very low139 Ų139144.6 Ų144.660%0.60476%0.759SS**  trans-118.911.4-171.9-93.8-178.7177.4174.70116.6H543K541-H543 PolarHBondContact O-N 2.89Å; K541-H543 VanDerWaalsContact O-N 3.07Å
542R35.1Very low36.3Very low222 Ų222144.6 Ų144.684%0.83876%0.764SS**  trans-84.238.2-179.5-72.2-169.2170.5-130.5-4.1115.2
543H39Very low36.2Very low171 Ų171145.3 Ų145.379%0.79277%0.767SS**  trans-144.378163.8-74.7-54.6000110.7K541K541-H543 PolarHBondContact O-N 2.89Å; K541-H543 VanDerWaalsContact O-N 3.07Å
544S40Very low36.2Very low112 Ų112145.7 Ų145.778%0.78377%0.773SS**  trans-146.8105.2160.5-158.20000109
545W34.2Very low36.1Very low225 Ų225143.8 Ų143.885%0.85277%0.771SS**  trans-74.9119.1165.8-79.472.8000107.4
546L33.1Very low36Very low108 Ų108139.4 Ų139.457%0.56576%0.759SS**  trans144.2127.8141.1-78151.6000113.7G714L546-G714 WeakPolarHBondContact CD1-O 3.49Å; L546-G714 WeakPolarHBondContact CD2-O 3.44Å
547G32.6Very low36Very low68 Ų68141 Ų14170%0.70176%0.759SS**  trans90.7108.4148.900000118
548C30.4Very low35.8Very low115 Ų115139 Ų13978%0.77777%0.769SS**  2.5146.8129-48.80000117.6
549D34.6Very low35.6Very low145 Ų145141 Ų14178%0.77577%0.771SS**  cis-168.9173.8-7.4-97-33.4000106
550V36.4Very low35.5Very low135 Ų135147.6 Ų147.682%0.81878%0.782SS**  171.9128.2125.8153.50000110.5
551T31.9Very low35.3Very low125 Ų125146 Ų14677%0.76778%0.779SS**  trans-49146.4173.6490000115.6
552S37.7Very low35.2Very low120 Ų120146.4 Ų146.484%0.83979%0.786SS**  trans-148.5129.2152.1-70.90000110
553D32.1Very low35.3Very low162 Ų162141.7 Ų141.787%0.86678%0.784SS**  trans-51.1146.2-164.6-59.9-63.6000118.7
554S36.3Very low34.9Very low118 Ų118140.7 Ų140.783%0.82578%0.784SS**  trans-163.592.2130.343.10000113.9
555S35.3Very low34.8Very low110 Ų110141.5 Ų141.577%0.76979%0.79SS**  trans24.3112.8138.3177.70000120.2
556E35.5Very low34.7Very low144 Ų144134 Ų13467%0.67378%0.782SS**  -174.5124.1102.4-97.7-162.612300114.9
557K37.6Very low35Very low180 Ų180136.9 Ų136.978%0.78380%0.797SS**  trans45.8118.1139.8-61168-175.3159.40121.3
558G34.8Very low34.9Very low79 Ų79139.7 Ų139.781%0.81480%0.796SS**  trans174.165.7160.500000115.3
559Y32.9Very low35.1Very low203 Ų203143.8 Ų143.880%0.79680%0.801SS**  trans-75.8136179.3-66.8-95.6000112.9
560Y39.2Very low35.2Very low237 Ų237144.2 Ų144.293%0.92980%0.799SS**  trans-150.3149.3132.8-87.9-64.8000110.3
561L37.1Very low35.1Very low149 Ų149144.7 Ų144.778%0.7880%0.796SS**  trans-92.6153.7-159.1-82.566.1000114.6
562I34.4Very low35.1Very low147 Ų147142.7 Ų142.775%0.75479%0.788SS**  trans-75.6151160.1-60.8164.3000109.5
563P35.9Very low35.1Very low123 Ų123146.1 Ų146.180%0.79979%0.788SS**  trans-127.4145.9140.910.211.2000113.8
564D30.2Very low35.3Very low150 Ų150144.6 Ų144.680%0.80278%0.78SS**  trans-74.5149.8-174.8-61-71.9000116
565S38.5Very low35.3Very low129 Ų129145.5 Ų145.590%0.90278%0.775SS**  trans-175.5128.6154-740000106.5
566G33.3Very low35.4Very low67 Ų67144.4 Ų144.469%0.69177%0.768SS**  cis147.3152.78.900000107.9
567L38.2Very low35.5Very low168 Ų168144.2 Ų144.288%0.8877%0.77SS**  trans75.7150-178.6-44.3175000115.8
568N31.3Very low35.5Very low127 Ų127142.9 Ų142.968%0.67977%0.771SS**  cis176.9-180-35.6-121.6-33.9000106.6
569F34.9Very low35.5Very low202 Ų202143.9 Ų143.989%0.88677%0.766SS**  trans79.596.4-174.4-48.2-67.4000113.2
570Q34.8Very low35.6Very low154 Ų154140 Ų14072%0.7277%0.766SS**  cis70.397.827.8-160.474.922.400114.5
571N35.3Very low35.3Very low144 Ų144136 Ų13677%0.7776%0.761SS**  174.2120.4126-89-20.7000114.4
572S32.4Very low35.3Very low83 Ų83134 Ų13458%0.5876%0.758SS**  trans60.9129.7143.2-1290000119.4
573F36.2Very low35.6Very low193 Ų193134.7 Ų134.785%0.84676%0.763SS**  cis-137.9147.629.9-94-98.5000113.9
574D36.6Very low35.6Very low130 Ų130135.6 Ų135.670%0.69577%0.766SS**  trans-56170.3166.7-38.9-65.8000112.5
575D36Very low35.8Very low137 Ų137134.7 Ų134.773%0.73377%0.765SS**  cis-165.5161.621.7-147.1-34.9000111.8
576S37.5Very low35.5Very low87 Ų87134.4 Ų134.461%0.60876%0.762SS**  trans67.2145.8150.6-65.30000121.4
577L37.3Very low35.5Very low139 Ų139136.9 Ų136.973%0.72876%0.764SS**  cis-166.1143.3-11.7-110.6172.2000109.2
578L39.4Very low35.2Very low152 Ų152134 Ų13480%0.79676%0.758SS**  trans65.1122159-51.4171.5000118.1
579S33Very low35.4Very low101 Ų101137.4 Ų137.471%0.70677%0.766SS**  cis97.7118.141.1-171.60000113.1
580C35.3Very low35.4Very low120 Ų120131.5 Ų131.581%0.81176%0.755SS**  trans155.282156.7-89.10000108
581D32.7Very low35.4Very low153 Ų153135.1 Ų135.182%0.81876%0.763SS**  83115.290.8-101.1-24.9000114.7
582P38.6Very low35.2Very low109 Ų109133.9 Ų133.971%0.70877%0.765SS**  trans-103.3106.8177.235.3-26.6000112.1
583N39.2Very low35.5Very low160 Ų160139.8 Ų139.886%0.85678%0.78SS**  trans-174.485.4160.9-96.6-39.5000113.4
584V37.1Very low36Very low143 Ų143138.6 Ų138.687%0.86778%0.782SS**  trans-140.8116.5157.9-179.30000110.2
585V33.4Very low36Very low131 Ų131137.6 Ų137.679%0.79478%0.782SS**  trans-98.5126.8170.6171.90000108.5
586C32.2Very low36.4Very low123 Ų123139.8 Ų139.883%0.83179%0.788SS**  trans-143.3126156.1-137.20000113.3
587T33.4Very low37Very low119 Ų119146.4 Ų146.473%0.7380%0.8SS**  trans-71.3170.9-169.951.80000116.2
588S32Very low37.4Very low107 Ų107148.3 Ų148.375%0.74881%0.81SS**  trans88.5106.2145.3-171.80000117.6
589K36.1Very low38Very low198 Ų198149.8 Ų149.886%0.86181%0.81SS**  8912171.7-120.1175.7-175.7173.90114.4
590A35.3Very low39.1Very low78 Ų78152.4 Ų152.465%0.64582%0.815SS**  trans63135.4165.800000116.5
591Y35.2Very low39.6Very low230 Ų230153.3 Ų153.390%0.90281%0.81SS**  -154.9170.753.2-90.5-84.3000113.9
592C30.2Very low41Very low118 Ų118154.2 Ų154.280%0.79781%0.807SS**  trans-85.2148.1-167-410000115.4
593K39.9Very low41.5Very low207 Ų207155.1 Ų155.190%0.981%0.813SS**  -179.1135126.5-103.4169.7-179178.80112.5
594L45.5Very low42Very low169 Ų169152.3 Ų152.389%0.88580%0.797SS**  trans-92.3129.9171.6-167.376.3000109.7
595P36.3Very low43Very low108 Ų108153.4 Ų153.470%0.70180%0.798SS**  trans-81.4141.4-172.829.6-33.6000114.7R597P595-R597 PolarHBondContact O-N 3.33Å; P595-R597 VanDerWaalsContact O-N 3.12Å
596Q45.9Very low44.5Very low183 Ų183150.2 Ų150.286%0.85579%0.791SS**  trans-88.939-160.2-165.1173.1-46.400114.7
597R49.6Very low46.4Very low226 Ų226146.1 Ų146.185%0.85376%0.764SS**  trans-105.3-1.4-161.5-71.4-171.967.7168.7-0.7118.8P595 K599P595-R597 PolarHBondContact O-N 3.33Å; P595-R597 VanDerWaalsContact O-N 3.12Å; R597-K599 PolarHBondContact O-N 2.98Å
598L45.4Very low48.4Very low180 Ų180146.7 Ų146.794%0.94276%0.763SS**  trans-95.562.6167.4-67.7177.7000111.2
599K51Low50.6Low183 Ų183146 Ų14680%0.79675%0.754SS**  trans-140.721.4177.6-131.9177.7-172.6179.70115.1R597R597-K599 PolarHBondContact O-N 2.98Å
600L57Low52.3Low155 Ų155142.1 Ų142.181%0.81274%0.742SS**  trans-135.4129.5155-68.9114.3000103.5
601I46.6Very low54.3Low140 Ų140143.3 Ų143.372%0.71873%0.734SS**  -144.7141.958.4-78.2148.5000109.5L604I601-L604 HydrophobicContact CG2-CD1 3.63Å; I601-L604 HydrophobicContact CG2-CG 3.9Å
602K61.4Low56.4Low172 Ų172137.9 Ų137.975%0.74872%0.717SS**  trans-60.2160172.8-66.8173.4178.1176.60110.5L604K602-L604 PolarHBondContact O-N 2.95Å
603P49.4Very low58.6Low127 Ų127140.5 Ų140.583%0.82571%0.71SS**  trans-56.7105.2160.725.9-33.4000108.5D605P603-D605 VanDerWaalsContact C-N 3.27Å; P603-D605 PolarHBondContact O-N 3.05Å; P603-D605 VanDerWaalsContact O-N 3.16Å
604L48.7Very low60.4Low102 Ų102136.7 Ų136.753%0.53470%0.696SS.*  trans-89.767.2-179.1-74.1176.7000109.9I601 K602 G606 S607I601-L604 HydrophobicContact CG2-CD1 3.63Å; I601-L604 HydrophobicContact CG2-CG 3.9Å; K602-L604 PolarHBondContact O-N 2.95Å; L604-G606 PolarHBondContact O-N 3.28Å; L604-S607 PolarHBondContact O-N 3.31Å
605D58.4Low61.8Low166 Ų166135 Ų13589%0.88868%0.683SS**THydrogen-bonded Turntrans-50121150.1-91.1-36.1000107.9P603P603-D605 VanDerWaalsContact C-N 3.27Å; P603-D605 PolarHBondContact O-N 3.05Å; P603-D605 VanDerWaalsContact O-N 3.16Å
606G64.6Low63.6Low63 Ų63134 Ų13465%0.64967%0.671SS**THydrogen-bonded Turntrans95.313.3-179.600000117L604 N608L604-G606 PolarHBondContact O-N 3.28Å; G606-N608 PolarHBondContact O-N 2.87Å; G606-N608 VanDerWaalsContact O-N 3.09Å
607S73.8Confident64.8Low38 Ų38128.9 Ų128.927%0.26666%0.66SS.*  trans-67.2107.3167.8-178.20000111.4L604 V609 L610 Q611L604-S607 PolarHBondContact O-N 3.31Å; S607-V609 PolarHBondContact O-N 3Å; S607-V609 VanDerWaalsContact O-N 3.14Å; S607-V609 PolarHBondContact OG-N 2.93Å; S607-L610 WeakPolarHBondContact O-CB 3.37Å; S607-L610 PolarHBondContact O-N 2.98Å; S607-L610 PolarHBondContact OG-N 2.84Å; S607-Q611 PolarHBondContact O-N 3.47Å
608N75.3Confident65.9Low130 Ų130121.9 Ų121.970%0.69564%0.643SS**Hα-helixtrans-52.1-32171.2-93.5-56.2000112.6G606 H612G606-N608 PolarHBondContact O-N 2.87Å; G606-N608 VanDerWaalsContact O-N 3.09Å; N608-H612 VanDerWaalsContact O-CB 3.3Å; N608-H612 WeakPolarHBondContact O-CB 3.36Å; N608-H612 PolarHBondContact O-N 2.82Å
609V76.8Confident66.5Low94 Ų94119.4 Ų119.457%0.5764%0.637SS**Hα-helixtrans-66.8-43.6175.7179.80000110.3S607 H612 W613S607-V609 PolarHBondContact O-N 3Å; S607-V609 VanDerWaalsContact O-N 3.14Å; S607-V609 PolarHBondContact OG-N 2.93Å; V609-H612 WeakPolarHBondContact O-CB 3.43Å; V609-H612 PolarHBondContact O-N 3.05Å; V609-W613 VanDerWaalsContact O-CD1 3.25Å; V609-W613 PolarHBondContact O-N 3.33Å
610L73.1Confident66.9Low116 Ų116113.6 Ų113.661%0.60762%0.62SS**Hα-helixtrans-65.3-41.4177.3-163.975.2000111.4S607 H612 W613 Q614S607-L610 WeakPolarHBondContact O-CB 3.37Å; S607-L610 PolarHBondContact O-N 2.98Å; S607-L610 PolarHBondContact OG-N 2.84Å; L610-H612 VanDerWaalsContact C-N 3.33Å; L610-H612 PolarHBondContact O-N 3.06Å; L610-W613 PolarHBondContact O-N 3.01Å; L610-Q614 WeakPolarHBondContact O-CB 3.41Å; L610-Q614 PolarHBondContact O-N 3.09Å
611Q77.1Confident66.7Low102 Ų102114.2 Ų114.248%0.47762%0.616SS.*Hα-helixtrans-61.5-39.6171.9-76.3-172.7-23.100112.3S607 Q614 H615S607-Q611 PolarHBondContact O-N 3.47Å; Q611-Q614 PolarHBondContact O-N 2.94Å; Q611-H615 WeakPolarHBondContact O-CB 3.39Å; Q611-H615 PolarHBondContact O-CD2 3.18Å; Q611-H615 VanDerWaalsContact O-CD2 3.29Å; Q611-H615 PolarHBondContact O-N 2.92Å
612H79.6Confident67.4Low117 Ų117111.7 Ų111.754%0.54261%0.608SS.*Hα-helixtrans-64.1-46.2176.2-172.473.7000111.8N608 V609 L610 Q614 H615 L616N608-H612 VanDerWaalsContact O-CB 3.3Å; N608-H612 WeakPolarHBondContact O-CB 3.36Å; N608-H612 PolarHBondContact O-N 2.82Å; V609-H612 WeakPolarHBondContact O-CB 3.43Å; V609-H612 PolarHBondContact O-N 3.05Å; L610-H612 VanDerWaalsContact C-N 3.33Å; L610-H612 PolarHBondContact O-N 3.06Å; H612-Q614 VanDerWaalsContact C-N 3.33Å; H612-Q614 PolarHBondContact O-N 3.24Å; H612-H615 PolarHBondContact O-N 3.47Å; H612-L616 WeakPolarHBondContact O-CG 3.33Å; H612-L616 PolarHBondContact O-N 3.12Å
613W74.4Confident67.1Low173 Ų173109.8 Ų109.866%0.65560%0.596SS**Hα-helixtrans-62.6-38.2173.8-83.486.4000112.2V609 L610 L616 A617V609-W613 VanDerWaalsContact O-CD1 3.25Å; V609-W613 PolarHBondContact O-N 3.33Å; L610-W613 PolarHBondContact O-N 3.01Å; W613-L616 PolarHBondContact O-N 2.87Å; W613-A617 VanDerWaalsContact O-CB 3.27Å; W613-A617 WeakPolarHBondContact O-CB 3.19Å; W613-A617 PolarHBondContact O-N 3.47Å
614Q78.7Confident67.2Low127 Ų127108 Ų10859%0.59359%0.591SS**Hα-helixtrans-67.3-35.7174.8-167.317314.500112.5L610 Q611 H612 L616 A617 T618L610-Q614 WeakPolarHBondContact O-CB 3.41Å; L610-Q614 PolarHBondContact O-N 3.09Å; Q611-Q614 PolarHBondContact O-N 2.94Å; H612-Q614 VanDerWaalsContact C-N 3.33Å; H612-Q614 PolarHBondContact O-N 3.24Å; Q614-L616 VanDerWaalsContact C-N 3.34Å; Q614-A617 PolarHBondContact O-N 3.18Å; Q614-T618 WeakPolarHBondContact O-CB 3.42Å; Q614-T618 WeakPolarHBondContact O-CG2 3.35Å; Q614-T618 PolarHBondContact O-N 2.87Å; Q614-T618 VanDerWaalsContact O-N 3.12Å; Q614-T618 PolarHBondContact O-OG1 2.93Å
615H75.1Confident67.6Low132 Ų132108.4 Ų108.461%0.61159%0.594SS**Hα-helixtrans-69.7-26.6171.8-91.1-66.3000113.8Q611 H612Q611-H615 WeakPolarHBondContact O-CB 3.39Å; Q611-H615 PolarHBondContact O-CD2 3.18Å; Q611-H615 VanDerWaalsContact O-CD2 3.29Å; Q611-H615 PolarHBondContact O-N 2.92Å; H612-H615 PolarHBondContact O-N 3.47Å
616L73Confident67.4Low88 Ų88107.7 Ų107.746%0.46158%0.583SS.*Hα-helixtrans-80.5-34.4172-68.6173.1000112H612 W613 Q614 L630H612-L616 WeakPolarHBondContact O-CG 3.33Å; H612-L616 PolarHBondContact O-N 3.12Å; W613-L616 PolarHBondContact O-N 2.87Å; Q614-L616 VanDerWaalsContact C-N 3.34Å; L616-L630 HydrophobicContact CD2-CD2 4.3Å
617A72.9Confident66.8Low76 Ų76113.2 Ų113.263%0.62860%0.598SS**Hα-helixtrans-86-8.2-176.500000115W613 Q614 P619W613-A617 VanDerWaalsContact O-CB 3.27Å; W613-A617 WeakPolarHBondContact O-CB 3.19Å; W613-A617 PolarHBondContact O-N 3.47Å; Q614-A617 PolarHBondContact O-N 3.18Å; A617-P619 VanDerWaalsContact O-CD 3.24Å; A617-P619 WeakPolarHBondContact O-CD 3.5Å
618T71Confident66.1Low78 Ų78115 Ų11548%0.47961%0.614SS.*SBendtrans-93.1108.1178.235.20000111.2Q614 S620Q614-T618 WeakPolarHBondContact O-CB 3.42Å; Q614-T618 WeakPolarHBondContact O-CG2 3.35Å; Q614-T618 PolarHBondContact O-N 2.87Å; Q614-T618 VanDerWaalsContact O-N 3.12Å; Q614-T618 PolarHBondContact O-OG1 2.93Å; T618-S620 PolarHBondContact O-N 3.38Å
619P59.7Low65.3Low128 Ų128113.9 Ų113.983%0.83161%0.614SS**  trans-71.990.5175.529.8-34.8000110.2A617 F621A617-P619 VanDerWaalsContact O-CD 3.24Å; A617-P619 WeakPolarHBondContact O-CD 3.5Å; P619-F621 PolarHBondContact O-N 3.04Å
620S57.7Low64.1Low61 Ų61112.9 Ų112.943%0.42761%0.606SS.*  trans-64.7120.6168.1172.40000109.5T618 T622 R623 A624T618-S620 PolarHBondContact O-N 3.38Å; S620-T622 PolarHBondContact O-N 2.91Å; S620-T622 VanDerWaalsContact O-N 3.16Å; S620-T622 PolarHBondContact OG-N 3.34Å; S620-R623 WeakPolarHBondContact O-CA 3.24Å; S620-R623 WeakPolarHBondContact O-CB 3.43Å; S620-R623 PolarHBondContact O-N 3.35Å; S620-A624 PolarHBondContact O-N 3.28Å
621F54.2Low63.5Low168 Ų168113.5 Ų113.574%0.73762%0.617SS**G310 helixtrans-51.6-36.3173.9-178.5-98.3000112.1P619 R623 A624 L625P619-F621 PolarHBondContact O-N 3.04Å; F621-R623 VanDerWaalsContact C-N 3.32Å; F621-R623 PolarHBondContact O-N 3.22Å; F621-A624 PolarHBondContact O-N 3.31Å; F621-L625 HydrophobicContact CD1-CD1 4.04Å; F621-L625 HydrophobicContact CE1-CD1 3.54Å; F621-L625 HydrophobicContact CZ-CD1 4Å
622T59.7Low62.6Low88 Ų88112.8 Ų112.854%0.5464%0.636SS.*G310 helixtrans-65.8-31.2175.7-390000112.8S620 A624 F626S620-T622 PolarHBondContact O-N 2.91Å; S620-T622 VanDerWaalsContact O-N 3.16Å; S620-T622 PolarHBondContact OG-N 3.34Å; T622-A624 VanDerWaalsContact C-N 3.33Å; T622-F626 HydrophobicContact CG2-CD2 4.35Å; T622-F626 HydrophobicContact CG2-CE2 4.24Å; T622-F626 WeakPolarHBondContact O-CD2 3.49Å
623R55.1Low61Low131 Ų131111.9 Ų111.949%0.49464%0.639SS.*G310 helixtrans-78.3-17.2178.6-161.4176.4-170.9178.74.9113.1S620 F621S620-R623 WeakPolarHBondContact O-CA 3.24Å; S620-R623 WeakPolarHBondContact O-CB 3.43Å; S620-R623 PolarHBondContact O-N 3.35Å; F621-R623 VanDerWaalsContact C-N 3.32Å; F621-R623 PolarHBondContact O-N 3.22Å
624A53.1Low59.8Low89 Ų89112.8 Ų112.874%0.73665%0.651SS**G310 helixtrans-85.3-11.8174.500000113.6S620 F621 T622S620-A624 PolarHBondContact O-N 3.28Å; F621-A624 PolarHBondContact O-N 3.31Å; T622-A624 VanDerWaalsContact C-N 3.33Å
625L55.5Low58.2Low112 Ų112111 Ų11159%0.58665%0.652SS**SBendtrans-102.5-10-176-83.8169.8000114.9F621F621-L625 HydrophobicContact CD1-CD1 4.04Å; F621-L625 HydrophobicContact CE1-CD1 3.54Å; F621-L625 HydrophobicContact CZ-CD1 4Å
626F56.1Low56.6Low150 Ų150116.9 Ų116.966%0.65867%0.669SS**SBendtrans-125.8110.8-179.9-65.5-72.8000109.9T622 A628T622-F626 HydrophobicContact CG2-CD2 4.35Å; T622-F626 HydrophobicContact CG2-CE2 4.24Å; T622-F626 WeakPolarHBondContact O-CD2 3.49Å; F626-A628 PolarHBondContact O-N 2.92Å
627D52.1Low55.2Low179 Ų179117.2 Ų117.296%0.95768%0.684SS**  trans-57.699.8-178.8-81.1-47.7000112.2
628A58.5Low53.6Low75 Ų75116.8 Ų116.862%0.6269%0.687SS**  trans-144103.5166.200000108.6F626 L630F626-A628 PolarHBondContact O-N 2.92Å; A628-L630 PolarHBondContact O-N 2.78Å
629P58.6Low52Low107 Ų107119.6 Ų119.670%0.69570%0.704SS**PPolyproline II helixtrans-61.8139.4179.125.2-33.1000110.5
630L52.1Low51Low73 Ų73118.7 Ų118.738%0.38270%0.701SS.*PPolyproline II helixtrans-65.3132.9179.4-74.498.5000110.5L616 A628 G632 V633L616-L630 HydrophobicContact CD2-CD2 4.3Å; A628-L630 PolarHBondContact O-N 2.78Å; L630-G632 PolarHBondContact O-N 2.97Å; L630-G632 VanDerWaalsContact O-N 3.13Å; L630-V633 PolarHBondContact O-N 3.24Å
631P60.5Low49.9Very low130 Ų130122.9 Ų122.984%0.84472%0.718SS**THydrogen-bonded Turntrans-56.6120.7171.7-22.632.9000110.3
632G56.3Low49Very low86 Ų86119.8 Ų119.889%0.88772%0.718SS**THydrogen-bonded Turntrans98.2-2.8178.700000116.5L630L630-G632 PolarHBondContact O-N 2.97Å; L630-G632 VanDerWaalsContact O-N 3.13Å
633V47.1Very low48.1Very low98 Ų98122.1 Ų122.159%0.59473%0.732SS**  trans-120.3110.9173.9-1760000110.2L630 S635L630-V633 PolarHBondContact O-N 3.24Å; V633-S635 PolarHBondContact O-N 3.41Å
634Q48.1Very low47.2Very low193 Ų193123.9 Ų123.990%0.90275%0.751SS**  trans-84.797.1-179.9-163.117238.700109.8R636Q634-R636 PolarHBondContact O-N 2.81Å
635S45.1Very low46.8Very low89 Ų89125 Ų12562%0.62275%0.749SS**  trans-60.9107.9174.2-60.20000110.3V633 A637V633-S635 PolarHBondContact O-N 3.41Å; S635-A637 PolarHBondContact O-N 3.36Å
636R42.9Very low46Very low255 Ų255126.6 Ų126.696%0.96276%0.758SS**SBendtrans-76.161.6178.4-169.3179.1170.5-165.7-4.9111.1Q634Q634-R636 PolarHBondContact O-N 2.81Å
637A42.5Very low45Very low96 Ų96125.1 Ų125.179%0.79377%0.765SS**  trans-142.973.2177.200000108.8S635S635-A637 PolarHBondContact O-N 3.36Å
638G39.2Very low44.2Very low66 Ų66124.3 Ų124.368%0.6876%0.76SS**  trans-176.474.9-173.600000110.7S640G638-S640 PolarHBondContact O-N 2.87Å
639V37.7Very low43.1Very low138 Ų138126.1 Ų126.184%0.83676%0.763SS**  trans-77.485.8165.4-179.60000106.8D641V639-D641 PolarHBondContact O-N 3.1Å
640S40Very low42.1Very low109 Ų109129.4 Ų129.476%0.76277%0.771SS**  trans-80.694.9170.753.60000109.3G638 S642G638-S640 PolarHBondContact O-N 2.87Å; S640-S642 PolarHBondContact O-N 3.02Å; S640-S642 VanDerWaalsContact O-N 3.08Å
641D33.5Very low41.4Very low149 Ų149129.2 Ų129.280%0.79778%0.78SS**  trans-63.4103161.8-78.5-36.7000109.2V639V639-D641 PolarHBondContact O-N 3.1Å
642S36.1Very low40.3Very low103 Ų103128.6 Ų128.672%0.7278%0.779SS**  trans169.9104.2145.838.90000112.5S640S640-S642 PolarHBondContact O-N 3.02Å; S640-S642 VanDerWaalsContact O-N 3.08Å
643T39.2Very low39.5Very low136 Ų136128.4 Ų128.483%0.83477%0.769SS**  trans-165.177142.624.20000108.8
644N37.2Very low39.3Very low168 Ų168130.4 Ų130.490%0.89878%0.781SS**  trans-12287151.1-111.2-19.2000107.5N646N644-N646 PolarHBondContact O-N 2.96Å
645T43.7Very low38.8Very low113 Ų113128 Ų12869%0.69378%0.775SS**  trans-66.5114.7166.446.30000108.8
646N39.6Very low38.6Very low146 Ų146127.8 Ų127.878%0.78177%0.774SS**  160.2155.9126.6-77.3-27.7000112.5N644N644-N646 PolarHBondContact O-N 2.96Å
647C34.2Very low38.3Very low119 Ų119126.7 Ų126.780%0.80477%0.769SS**  trans74.567.9168.5-59.90000118.3
648L36.1Very low38.2Very low162 Ų162131.6 Ų131.685%0.84878%0.776SS**  39.7127.3110.5-74.8167.4000120.4
649T35.5Very low38Very low112 Ų112139.4 Ų139.469%0.68779%0.785SS**  trans92.8102.1132.2-60.20000119.6
650M36.9Very low38Very low177 Ų177137.9 Ų137.987%0.87278%0.778SS**  trans72.1145.4142.2-56.7-74.4-84.500118.7
651A38Very low37.9Very low68 Ų68139 Ų13956%0.56278%0.78SS**  cis-166.1152.8-15.700000111.9
652S36.6Very low38Very low117 Ų117137.4 Ų137.482%0.81878%0.78SS**  trans62152143.560.10000123.5
653A40Very low38Very low82 Ų82139.4 Ų139.468%0.67879%0.788SS**  trans81104.9161.800000117.1
654T44.1Very low37.7Very low140 Ų140136.5 Ų136.586%0.85979%0.785SS**  62.6135.978.862.70000113.6
655D37.6Very low37.9Very low144 Ų144134.2 Ų134.277%0.7778%0.782SS**  cis-170.1177.94.5163.552.9000109.2
656S39.2Very low37.4Very low84 Ų84134.3 Ų134.359%0.58779%0.787SS**  trans77.295.9154.2-83.30000121.4
657R37.9Very low37.4Very low231 Ų231133 Ų13387%0.87279%0.787SS**  26.9120.2120.7-60176177-123.5-1.7118.8
658Q40.3Very low37.1Very low199 Ų199133 Ų13393%0.9379%0.786SS**  -173.8140115.3-100.7167.925.800113.3
659R33.8Very low37.1Very low230 Ų230132.8 Ų132.887%0.86879%0.785SS**  trans-84.4174.4158.3-116.5-172.7177.1172.2-0.6107.7
660P38.8Very low36.8Very low106 Ų106132.6 Ų132.669%0.68879%0.788SS**  cis-141.9175.813.828.8-3.1000117.6
661V37.2Very low36.6Very low133 Ų133132.4 Ų132.481%0.80679%0.79SS**  trans28.8117.3140.2-175.90000119.3
662S36Very low36.3Very low116 Ų116134 Ų13481%0.81180%0.797SS**  -158.6161.9123.6-157.70000112.9
663V36.2Very low36.4Very low145 Ų145133.8 Ų133.888%0.87980%0.796SS**  trans-81.1142.8-178.6-145.90000110.2
664G33.8Very low36.4Very low74 Ų74137.8 Ų137.876%0.76380%0.801SS**  trans-170.2116.3175.600000112.7
665S39.6Very low36.2Very low120 Ų120137.3 Ų137.384%0.83980%0.797SS**  trans-64.4155.2-179.3-52.20000113.3
666S33.1Very low36.2Very low116 Ų116135.5 Ų135.581%0.81179%0.793SS**  trans-51.2151.3163.1-44.20000111.4
667P39.6Very low35.8Very low118 Ų118139.1 Ų139.177%0.76681%0.805SS**  -139.1162.388.636-22.2000115
668C28.9Very low35.4Very low118 Ų118137.8 Ų137.880%0.79781%0.806SS**  trans-72.4139.3173.347.30000112.7
669I35.4Very low34.6Very low159 Ų159134 Ų13482%0.81580%0.8SS**  trans-136.6120.7153.7-61.2-177.3000107.6
670S30.1Very low34.8Very low107 Ų107129 Ų12975%0.74880%0.8SS**  trans-77.5142.7172-52.40000110.6
671N32.6Very low34.2Very low173 Ų173129 Ų12993%0.92580%0.803SS**  trans-156.2155.1148.5-108.9-24.5000112.9
672S32.4Very low34.1Very low101 Ų101131.3 Ų131.371%0.70681%0.81SS**  trans-117.2141.4-160.7169.60000113.1
673S38.6Very low33.8Very low113 Ų113132 Ų13279%0.7981%0.809SS**  trans-169.6113.6151.3-80.20000107.7
674Q38.5Very low33.6Very low167 Ų167128.7 Ų128.778%0.7880%0.797SS**  90.7152.366.3-84.6-158.99.800114.5
675V40Very low33.8Very low130 Ų130134.2 Ų134.279%0.78880%0.802SS**  trans74.5151.1169.1-114.10000118
676P37.3Very low33.4Very low106 Ų106133.8 Ų133.869%0.68880%0.799SS**  -139166.4-86.446.1-31.7000118.8
677L30.8Very low33.7Very low160 Ų160133.6 Ų133.684%0.83880%0.796SS**  trans9132143.9-54.6173.5000122.4
678K30.1Very low33.5Very low202 Ų202132.8 Ų132.888%0.87879%0.793SS**  trans-154.1128.7130.2-158.692.9178.4-169.50111.1
679C24.4Very low33.9Very low119 Ų119135 Ų13580%0.80480%0.796SS**  trans-105.5151.8170.1-66.90000110.4
680S36.9Very low33.8Very low125 Ų125134.9 Ų134.987%0.87480%0.797SS**  trans-152.4128.6156.5-77.40000110.5
681S27.6Very low34.1Very low107 Ų107134.7 Ų134.775%0.74879%0.793SS**  trans-93.6153.1174.847.70000111.7
682L34.1Very low34.1Very low182 Ų182135.3 Ų135.395%0.95379%0.79SS**  trans-147.5154.3152.5-81.8-173.9000111
683T29.2Very low34.2Very low131 Ų131134.3 Ų134.380%0.80480%0.796SS**  trans-135.3163-166.6-54.50000110.5
684A32.8Very low33.9Very low75 Ų75138.1 Ų138.162%0.6280%0.801SS**  trans75.3141.7169.300000115.6
685H38.1Very low33.9Very low189 Ų189135.6 Ų135.688%0.87580%0.799SS**  cis-159.3162.443.2-82-89.1000112.8
686S31.9Very low33.6Very low111 Ų111136.3 Ų136.378%0.77680%0.799SS**  trans-118.8148.7166.243.90000111.3
687P39.3Very low33.1Very low113 Ų113139.5 Ų139.573%0.73481%0.806SS**  -142.7145.6119.828.6-9.6000112.5
688S35.3Very low33.3Very low101 Ų101142.4 Ų142.471%0.70681%0.806SS**  64.2106.473.9-49.10000115.4
689D36.2Very low33.4Very low163 Ų163140.1 Ų140.187%0.87280%0.803SS**  169.9154.9109.6-85.2-25000115.2
690L33.2Very low33.8Very low158 Ų158140.3 Ų140.383%0.82780%0.8SS**  trans-89.6-160.9-177.5-12078.6000110.8
691P37.9Very low33.4Very low103 Ų103142.4 Ų142.467%0.66980%0.796SS**  cis-140.91742.621.86.1000118.8
692H32.2Very low33.6Very low186 Ų186146.1 Ų146.186%0.86180%0.801SS**  trans71.6124.6138.9-79.736.5000123.4
693G34.2Very low33.5Very low80 Ų80142.2 Ų142.283%0.82579%0.79SS**  trans-161.4129.2157.900000110.2
694Q32.7Very low33.4Very low192 Ų192143.7 Ų143.790%0.89779%0.791SS**  trans-86.8165.5-158.7-99.2-168.3-44.700117
695P37.6Very low33.4Very low115 Ų115146.8 Ų146.875%0.74779%0.793SS**  trans-92.2174.2-167.938.7-38.2000114.4
696N33.7Very low33Very low145 Ų145145.8 Ų145.878%0.77579%0.786SS**  trans-133.9108167.9-155.9-22.8000111.7
697M27.4Very low32.7Very low172 Ų172146 Ų14685%0.84779%0.787SS**  trans-98.6117.5173.4-88.9-83.6-76.800110
698R34.2Very low32.5Very low222 Ų222146.3 Ų146.384%0.83879%0.787SS**  trans-137.6109155.2-77.5-175.2167.1152.9-3.1107.2
699L32.6Very low32.3Very low153 Ų153148.4 Ų148.480%0.80179%0.79SS**  60107.292-149.199.6000109.4
700V31.8Very low32Very low124 Ų124147.5 Ų147.575%0.75278%0.784SS**  cis-151.1132.145.3170.10000106.6
701Q28.5Very low32Very low168 Ų168147 Ų14779%0.78578%0.782SS**  68.775.651.1-166.4163.2-15.900116.7
702E31.8Very low31.6Very low185 Ų185152.4 Ų152.486%0.86479%0.789SS**  trans-154.594.9136.8-111.3179161.800107.4
703S31.9Very low31.4Very low101 Ų101151.4 Ų151.471%0.70678%0.783SS**  69.989.9102.4-60.30000112
704L28.5Very low31.1Very low161 Ų161149 Ų14984%0.84376%0.758SS**  73.5143.971.3-167.167.3000112.7
705E31.6Very low31Very low141 Ų141148.2 Ų148.266%0.65975%0.752SS**  trans77129.7178.1-50.9-158.1143.700116.4
706K30.2Very low30.4Very low167 Ų167147 Ų14773%0.72675%0.746SS**  cis-148.1130.5-0.9-106.6147.2-175.9150.40109.8
707C25.3Very low30.2Very low116 Ų116145.7 Ų145.778%0.78475%0.749SS**  trans-80.1157.9157.4-61.80000109.3
708T36.2Very low30.3Very low120 Ų120143.2 Ų143.274%0.73675%0.748SS**  163.3140.2127.845.90000111.8
709N31.1Very low29.9Very low144 Ų144139.2 Ų139.277%0.7775%0.748SS**  trans65.4108.8157.5-47.6-24.2000116.8
710L30.1Very low29.8Very low144 Ų144137.2 Ų137.275%0.75475%0.746SS**  cis71.690.417.3-125.9170.3000114.8
711N32.4Very low29.6Very low147 Ų147141 Ų14179%0.78675%0.753SS**  trans160.8131132.8-86.9-42.1000113.7
712R29.4Very low29.9Very low218 Ų218140.1 Ų140.182%0.82375%0.753SS**  153.597.7122.1-178.5155.2-81.7-120.33.4115.1
713F28.8Very low29.8Very low165 Ų165139.5 Ų139.572%0.72476%0.755SS**  trans57.6115.6144.1-74.3-105.9000123.1
714G28.3Very low29.9Very low29 Ų29140.4 Ų140.430%0.29975%0.752SS.*  121.5117.185.200000120.6L546L546-G714 WeakPolarHBondContact CD1-O 3.49Å; L546-G714 WeakPolarHBondContact CD2-O 3.44Å
715F28.9Very low30.1Very low175 Ų175136.2 Ų136.277%0.76875%0.748SS**  trans68.9153.3157.1-49.4-69.7000118.1
716S24.9Very low30.3Very low91 Ų91137.5 Ų137.564%0.63676%0.758SS**  cis-168.3131.8-18.8-960000109.4
717S29.4Very low30.6Very low117 Ų117139.3 Ų139.382%0.81876%0.761SS**  trans161.7109.5144.5-79.70000112
718S30.3Very low31Very low120 Ų120140.4 Ų140.484%0.83976%0.764SS**  trans-107106.9157.8-66.90000108.3C720S718-C720 PolarHBondContact O-N 2.85Å; S718-C720 VanDerWaalsContact O-N 3.16Å
719T26.6Very low31.2Very low137 Ų137144.5 Ų144.584%0.8477%0.766SS**  trans-76.395.2170.5460000109.5
720C30.9Very low31.3Very low112 Ų112142.3 Ų142.376%0.75776%0.762SS**  trans-112119.4165.953.90000110S718 L722S718-C720 PolarHBondContact O-N 2.85Å; S718-C720 VanDerWaalsContact O-N 3.16Å; C720-L722 PolarHBondContact O-N 2.89Å
721F27.1Very low31.5Very low203 Ų203143.6 Ų143.689%0.8977%0.768SS**  trans-61.3119.3178.6-72.5-103.7000111.4
722L33.5Very low31.5Very low150 Ų150143.3 Ų143.379%0.78577%0.767SS**  trans-140.7115.1152.4-79.5-176.5000110.6C720 N724C720-L722 PolarHBondContact O-N 2.89Å; L722-N724 VanDerWaalsContact C-N 3.32Å; L722-N724 PolarHBondContact O-N 3.38Å
723N31Very low31.8Very low171 Ų171141.4 Ų141.491%0.91477%0.767SS**  trans-75.779.8176.9-129.5-13.4000109.5G725N723-G725 PolarHBondContact O-N 3.12Å
724N34.4Very low32.1Very low121 Ų121141.7 Ų141.765%0.64778%0.775SS**  trans-90.990.8173.8-87.82.8000110.2L722 L726L722-N724 VanDerWaalsContact C-N 3.32Å; L722-N724 PolarHBondContact O-N 3.38Å; N724-L726 PolarHBondContact O-N 2.95Å
725G32.2Very low32.5Very low73 Ų73147.1 Ų147.175%0.75380%0.802SS**  trans-62.599.4167.100000110.6N723 R727N723-G725 PolarHBondContact O-N 3.12Å; G725-R727 PolarHBondContact O-N 2.76Å
726L34.4Very low32.7Very low167 Ų167144 Ų14487%0.87481%0.808SS**  trans-63.494.2175.2-77.8168.2000110.2N724 T728N724-L726 PolarHBondContact O-N 2.95Å; L726-T728 PolarHBondContact O-N 2.79Å
727R37.8Very low33.1Very low206 Ų206142.8 Ų142.878%0.77781%0.811SS**  trans-66.6102163.7-85.9-176162.6-163.1-4.1108.9G725 R729G725-R727 PolarHBondContact O-N 2.76Å; R727-R729 PolarHBondContact O-N 3.23Å
728T33.9Very low33.4Very low138 Ų138142.9 Ų142.985%0.84781%0.811SS**  trans-52.1117.8164.245.40000109.9L726L726-T728 PolarHBondContact O-N 2.79Å
729R40.2Very low33.5Very low206 Ų206142.9 Ų142.978%0.77781%0.811SS**  trans-144.8128.7171.4-73.7-164.8168.8-139.7-6.4111.3R727R727-R729 PolarHBondContact O-N 3.23Å
730S32.2Very low33.6Very low98 Ų98142.1 Ų142.169%0.68581%0.811SS**  trans72.293.2158.5-164.60000117.8
731L35.9Very low33.5Very low171 Ų171142.7 Ų142.790%0.89582%0.817SS**  trans-129.942.9147.7-161.391000110.4
732D31.4Very low33.4Very low141 Ų141137.2 Ų137.275%0.75480%0.804SS**  trans-122.450.2-173.5-68.2-63000112.7
733H36.4Very low33.5Very low179 Ų179141 Ų14183%0.82981%0.81SS**  trans-15165.2171.5-82.6-53.7000112.5
734L34.9Very low33.4Very low171 Ų171139.7 Ų139.790%0.89580%0.802SS**  trans-161.3158.5160-100.4153.4000107.4
735V36.4Very low33.4Very low143 Ų143141.8 Ų141.887%0.86781%0.813SS**  trans72.781.1-169.8-166.60000114.3
736A32.9Very low33.5Very low108 Ų108147.3 Ų147.389%0.89382%0.817SS**  trans-141119.6155.800000108.7
737G32.9Very low33.7Very low67 Ų67147.2 Ų147.269%0.69182%0.817SS**  trans114.6112.8-165.800000109.5
738S35.6Very low33.5Very low118 Ų118141.3 Ų141.383%0.82581%0.808SS**  cis-144.9145.132.3-58.30000114.8
739S32.9Very low33.5Very low120 Ų120141.3 Ų141.384%0.83980%0.802SS**  trans39.2116.8141.9-53.10000121.8
740S27.9Very low33.2Very low121 Ų121138.6 Ų138.685%0.84680%0.803SS**  trans-46.8147.5164.3550000117.7
741S29.9Very low33.4Very low124 Ų124141.9 Ų141.987%0.86781%0.805SS**  -145.8148.3127.2-168.90000110.1
742S25.8Very low33Very low89 Ų89142.4 Ų142.462%0.62280%0.801SS**  trans-123.7131-171.1137.70000110.1
743Y33.9Very low33.1Very low230 Ų230143 Ų14390%0.90280%0.802SS**  trans-143.7129.3149.6-101.8-81.1000110.4
744N29.4Very low32.8Very low143 Ų143141.3 Ų141.377%0.76579%0.794SS**  trans-83.6147.4166.1-61.5-80.9000108.3
745D35Very low32.6Very low164 Ų164142.8 Ų142.888%0.87779%0.794SS**  -152.7156.1115.6-132.6-27.5000112.5
746K33.8Very low32.3Very low189 Ų189141 Ų14182%0.82278%0.779SS**  trans-105.5129.3171.5-73.9-179.6176.8179.40108.2
747D38.3Very low32.3Very low166 Ų166143.8 Ų143.889%0.88877%0.774SS**  trans-151.1164.8146-125.3-31.3000113.9
748S34.5Very low32.3Very low82 Ų82146.2 Ų146.257%0.57378%0.778SS**  trans-125156.1-157.557.60000114.6
749N33.5Very low32Very low137 Ų137149.1 Ų149.173%0.73378%0.776SS**  trans75.3104.9165.7-43.4-61000118.1
750N33.8Very low31.8Very low149 Ų149151.1 Ų151.180%0.79778%0.777SS**  -176.8110.8107-96.7-43.3000114.7
751K35.7Very low32.1Very low167 Ų167153.2 Ų153.273%0.72677%0.773SS**  45.4134.6119-117.8175-178.9175.30121.9
752F27.9Very low32.3Very low183 Ų183151.8 Ų151.880%0.80377%0.769SS**  trans71.3142.2164.7-70.6-79000115.7
753I34.3Very low32.4Very low152 Ų152157.4 Ų157.478%0.77978%0.782SS**  cis-129.9145.718.5-67.5174.4000111.7
754Q29.1Very low32.5Very low144 Ų144151.4 Ų151.467%0.67377%0.774SS**  trans-100.5140.7173.6171178.1-4.700110.3N756Q754-N756 PolarHBondContact NE2-OD1 3.39Å
755F30.7Very low32.6Very low202 Ų202151.7 Ų151.789%0.88678%0.775SS**  trans-126.3127.2160.2-120.2-88.7000110.1
756N30.5Very low32.4Very low105 Ų105152.6 Ų152.656%0.56177%0.774SS**  trans-83.2178.9-179.2-56.6-57.1000109.7Q754Q754-N756 PolarHBondContact NE2-OD1 3.39Å
757Q32.7Very low32.2Very low167 Ų167149.1 Ų149.178%0.7877%0.774SS**  cis-168.5149.921.4-155160-300110.6
758P33.2Very low31.7Very low118 Ų118145.9 Ų145.977%0.76677%0.77SS**  trans-86.2157.6165.235.4-33.2000111.7
759F29.8Very low31.5Very low180 Ų180147.3 Ų147.379%0.78978%0.78SS**  trans-110.2123.6177.6-103.9-86.1000112.2H761F759-H761 AromaticContact CE1-NE2 3.77Å
760D28Very low31.1Very low162 Ų162145.7 Ų145.787%0.86678%0.78SS**  trans-120.4127.8165.8-102-40000109.4
761H34Very low30.9Very low164 Ų164142.5 Ų142.576%0.75977%0.769SS**  trans-151143171.8-81.4-28.2000107.8F759F759-H761 AromaticContact CE1-NE2 3.77Å
762A33.9Very low30.5Very low94 Ų94143.6 Ų143.678%0.77777%0.77SS**  cis-159.9163.6-14.800000108.3
763K28.6Very low30.8Very low208 Ų208142.9 Ų142.990%0.90477%0.773SS**  trans-79137.5178.1-76.1178.5172.8179.10113.1
764S35.5Very low30.7Very low104 Ų104141 Ų14173%0.72777%0.77SS**  trans177.8155144.853.30000108.2
765D32.5Very low30.9Very low149 Ų149140 Ų14080%0.79778%0.778SS**  cis-152.3156.2-35.5-102-35.6000107.8
766E30.1Very low31.2Very low182 Ų182139.7 Ų139.785%0.8578%0.777SS**  trans20111.4149.2-164.2168-135.600120.5
767S30.3Very low31.6Very low116 Ų116139.8 Ų139.881%0.81179%0.786SS**  178.6137.5119.340.60000112.8
768A27.4Very low31.6Very low98 Ų98139.8 Ų139.881%0.8179%0.79SS**  trans-86133.817500000111.2
769S30.6Very low31.8Very low112 Ų112140.3 Ų140.378%0.78379%0.791SS**  trans-152100.4159.1-840000111.1S771S769-S771 PolarHBondContact O-N 3.19Å
770S25.2Very low32.2Very low104 Ų104136.3 Ų136.373%0.72779%0.786SS**  trans-65.6112.8163.7171.10000109.4Y772S770-Y772 PolarHBondContact O-OH 3.16Å; S770-Y772 VanDerWaalsContact O-OH 3.08Å
771S28.9Very low32.6Very low81 Ų81135.5 Ų135.557%0.56678%0.78SS**  trans-158.298.4166.953.20000114.2S769S769-S771 PolarHBondContact O-N 3.19Å
772Y27.5Very low33Very low190 Ų190134.5 Ų134.575%0.74579%0.786SS**  trans39.8161.3130.5-9.4-65.9000121.4S770S770-Y772 PolarHBondContact O-OH 3.16Å; S770-Y772 VanDerWaalsContact O-OH 3.08Å
773L32.9Very low33.4Very low168 Ų168135.9 Ų135.988%0.8879%0.79SS**  trans81.1129.6179.1-44.8173000113.2
774T33.4Very low34Very low114 Ų114128.6 Ų128.670%0.69977%0.768SS**  cis-133.6124.812.846.40000112
775S33.8Very low34Very low123 Ų123131.3 Ų131.386%0.8677%0.774SS**PPolyproline II helixtrans-84.9116.2163.934.50000109.1
776F36.8Very low34.4Very low195 Ų195131 Ų13186%0.85577%0.771SS**PPolyproline II helixtrans-66.1137.9176.9-91.8-95000111.4L778F776-L778 PolarHBondContact O-N 2.9Å
777S37.6Very low35Very low106 Ų106127.6 Ų127.674%0.74177%0.765SS**PPolyproline II helixtrans-67.4125.2-175-1720000112.3T779S777-T779 PolarHBondContact O-N 3.3Å
778L33Very low35.3Very low167 Ų167131 Ų13187%0.87477%0.765SS**  trans-67.4107.7165.3-68.5167.5000109.3F776F776-L778 PolarHBondContact O-N 2.9Å
779T37.5Very low35.6Very low130 Ų130132.4 Ų132.480%0.79876%0.764SS**  trans178.970.4154.9200000112.7S777S777-T779 PolarHBondContact O-N 3.3Å
780S38.3Very low35.7Very low95 Ų95132.7 Ų132.766%0.66476%0.762SS**SBendtrans-163.3-5.6166-163.70000117.3
781L36.9Very low36Very low145 Ų145134.1 Ų134.176%0.75977%0.766SS**  trans-135.441-160.5-120.6165.9000114.8
782V42.9Very low36.3Very low143 Ų143136.4 Ų136.487%0.86778%0.776SS**SBendtrans-109.86.7177.6-1790000112.2
783S42.3Very low36.6Very low123 Ų123134.1 Ų134.186%0.8678%0.776SS**SBendtrans-119.111.8-170.2-52.80000115.6
784A39.8Very low36.6Very low55 Ų55132 Ų13246%0.45577%0.773SS.*SBendtrans-124.5-4.7-170.400000116.2
785L36.6Very low36.5Very low161 Ų161131.5 Ų131.584%0.84377%0.774SS**  trans-136.571.5-177.2-69.6174.4000111.7
786L41.5Very low36.5Very low143 Ų143131.3 Ų131.375%0.74977%0.773SS**  trans-107.9106.9163.5-128.278.9000108.8F788L786-F788 PolarHBondContact O-N 3.18Å
787P42.8Very low36.2Very low111 Ų111129.1 Ų129.172%0.72178%0.775SS**  trans-73.4116158.30.317000107.3T789P787-T789 PolarHBondContact O-N 2.83Å
788F35Very low36Very low186 Ų186129.1 Ų129.182%0.81677%0.774SS**  trans-63.4106.9173.7-76.9-94000110.3L786 T790L786-F788 PolarHBondContact O-N 3.18Å; F788-T790 PolarHBondContact O-N 2.96Å
789T34Very low35.8Very low129 Ų129127 Ų12779%0.79177%0.773SS**  trans-87.992.4164.945.40000109.3P787 T791P787-T789 PolarHBondContact O-N 2.83Å; T789-T791 PolarHBondContact O-N 3.48Å; T789-T791 VanDerWaalsContact O-N 3.1Å
790T32.4Very low35.7Very low118 Ų118129.3 Ų129.372%0.72477%0.773SS**  trans-71.6102.8170.647.60000110.1F788 V792F788-T790 PolarHBondContact O-N 2.96Å; T790-V792 PolarHBondContact O-N 2.79Å; T790-V792 VanDerWaalsContact O-N 3.1Å
791T32.3Very low35.5Very low133 Ų133130.9 Ų130.982%0.81677%0.774SS**  trans-58.3108.5167.3-530000110T789T789-T791 PolarHBondContact O-N 3.48Å; T789-T791 VanDerWaalsContact O-N 3.1Å
792V34.9Very low35.7Very low130 Ų130128.2 Ų128.279%0.78877%0.765SS**  trans-95.6108.3169.6179.90000108.7T790T790-V792 PolarHBondContact O-N 2.79Å; T790-V792 VanDerWaalsContact O-N 3.1Å
793L33.1Very low35.4Very low141 Ų141131.1 Ų131.174%0.73877%0.766SS**  trans-72.7134.5174.7-160.476.6000109.7S795L793-S795 PolarHBondContact O-N 3.08Å
794P33.3Very low34.9Very low125 Ų125129.1 Ų129.181%0.81277%0.765SS**  trans-79.788.3177.831.5-33.5000110.8
795S32.6Very low34.7Very low102 Ų102133 Ų13371%0.71378%0.783SS**PPolyproline II helixtrans-87.1124.1169.260.40000111.1L793 V797L793-S795 PolarHBondContact O-N 3.08Å; S795-V797 PolarHBondContact O-N 3.47Å
796S32.7Very low34.3Very low120 Ų120130.7 Ų130.784%0.83978%0.776SS**PPolyproline II helixtrans-54.2122.1176.740.40000113S798S796-S798 PolarHBondContact O-N 3Å
797V31.3Very low34.2Very low149 Ų149131.3 Ų131.390%0.90378%0.778SS**PPolyproline II helixtrans-71.2117.5170.3-87.50000110.5S795S795-V797 PolarHBondContact O-N 3.47Å
798S32.3Very low33.6Very low105 Ų105132.9 Ų132.973%0.73478%0.78SS**PPolyproline II helixtrans-81.2131.4166.848.80000109.8S796S796-S798 PolarHBondContact O-N 3Å
799S30.4Very low33.7Very low122 Ų122130.8 Ų130.885%0.85378%0.778SS**  trans-93.7101.5171.3-175.70000109.7
800F33.6Very low33.7Very low180 Ų180133.3 Ų133.379%0.78978%0.778SS**  trans-84.9145.1144.5-87.8-101.5000106.1
801D35.8Very low33.6Very low128 Ų128134.2 Ų134.268%0.68478%0.778SS**  -179.3-17459.3-130.2-11.3000107.1
802P41.3Very low33.9Very low89 Ų89133.6 Ų133.658%0.57877%0.773SS**  cis-135.8171.7-26.335-17.2000114.5
803K34.6Very low33.8Very low203 Ų203136.7 Ų136.788%0.88378%0.776SS**  trans47.8114.3144.7-64.9159.3-170.5169.60119.9
804G32.6Very low34Very low81 Ų81136.5 Ų136.584%0.83578%0.781SS**  trans-173.684.9167.100000115.7
805V34.7Very low34.1Very low136 Ų136139.3 Ų139.382%0.82478%0.781SS**  trans-37.9129.7177.8177.40000116.3
806T29.1Very low34.1Very low114 Ų114139.3 Ų139.370%0.69978%0.776SS**  trans4.7130142.4-41.80000118.8
807I39.8Very low34.1Very low156 Ų156141 Ų14180%0.877%0.771SS**  179.9135122.6-90.1151.4000110.5
808N29.9Very low34.3Very low143 Ų143141.9 Ų141.977%0.76577%0.765SS**  trans-79151.3177-54.6-57.5000112.2
809N36.4Very low34.4Very low143 Ų143140.1 Ų140.177%0.76576%0.764SS**  trans180124.8143.4-93.8-35.2000110
810K35.4Very low34.5Very low182 Ų182143.2 Ų143.279%0.79177%0.765SS**  70.3126.188.2-165.4-176.8-176.9-175.50111.1
811L30.2Very low34.6Very low137 Ų137139.2 Ų139.272%0.71776%0.759SS**  cis1731769.2174.366.4000106.6
812T37.9Very low34.7Very low119 Ų119138.5 Ų138.573%0.7376%0.759SS**  trans76.7124.5169.772.90000115.6
813K32.7Very low34.3Very low196 Ų196141.9 Ų141.985%0.85277%0.767SS**  cis76.2109.538.7-76.9-168.3173.3179.90116.1
814T36.7Very low34.5Very low136 Ų136138.9 Ų138.983%0.83476%0.759SS**  -176.1124.812030.50000109.4
815K35.4Very low34.3Very low184 Ų184146.2 Ų146.280%0.876%0.761SS**  75.8135.887.7-131.8-160.5172-173.70112.1
816T33.7Very low34.3Very low102 Ų102144.3 Ų144.363%0.62675%0.754SS**  cis-154.5171.425.4-41.30000113
817Q33.6Very low34.4Very low155 Ų155148.2 Ų148.272%0.72476%0.762SS**  trans-54.6174.3176.1-58.3147.9-62.300114.5
818H33.9Very low33.9Very low169 Ų169146.3 Ų146.378%0.78276%0.76SS**  cis-171.6147.238.7-141.9-70.9000113.4
819G34.6Very low34Very low68 Ų68144.7 Ų144.770%0.70176%0.758SS**  trans59.9162.8153.900000120.6
820E33.9Very low33.7Very low187 Ų187142.7 Ų142.787%0.87476%0.755SS**  cis-165.7159.7-19.1-161.1161.8-14500109.6
821S35Very low33.4Very low95 Ų95138.7 Ų138.766%0.66475%0.75SS**  trans69.3108.2158.3-87.70000124.4
822T37.2Very low33.4Very low113 Ų113137.5 Ų137.569%0.69375%0.753SS**  83.5123.5120.156.70000125.3
823H34Very low32.9Very low160 Ų160136.8 Ų136.874%0.74175%0.753SS**  trans98.5116.3131.1-84.8-55.7000123.3
824I37.9Very low32.7Very low140 Ų140134 Ų13472%0.71875%0.752SS**  trans78.998.7141.1-60.3166.8000116.1
825R29.2Very low32.3Very low235 Ų235132.1 Ų132.189%0.88775%0.751SS**  76.212789.6-163.4178.4-157.6-147.87.4111.8
826S34.3Very low32.2Very low96 Ų96127.5 Ų127.567%0.67175%0.747SS**  cis-163.2156.116.128.40000113.9
827K31.2Very low32.2Very low197 Ų197129.7 Ų129.786%0.85776%0.761SS**  trans30137.1136.9-63.2-176.2176.3-173.20119.4
828C29.2Very low32.2Very low115 Ų115126.1 Ų126.178%0.77777%0.766SS**  cis-156.9169.37.1-1000000110.3
829P32.9Very low32.4Very low110 Ų110125.8 Ų125.871%0.71477%0.769SS**  trans-106.8166.1-173.540.6-34.5000116.4
830S29.5Very low32.3Very low100 Ų100130.9 Ų130.970%0.69977%0.774SS**  trans62.5121.9141.162.90000123.2
831S29.5Very low32.5Very low98 Ų98125.1 Ų125.169%0.68577%0.765SS**  77.7112.5125.767.80000122.9
832S28.7Very low32.5Very low113 Ų113128 Ų12879%0.7977%0.773SS**  76.3135.9121.5680000123.4
833S28.5Very low32.6Very low104 Ų104129.4 Ų129.473%0.72778%0.775SS**  trans87.494.5143.5-165.40000120.3
834T27.8Very low32.8Very low136 Ų136128 Ų12883%0.83477%0.773SS**  45.9109.8119.1-44.40000120.1
835A28.4Very low32.8Very low97 Ų97126.2 Ų126.280%0.80277%0.768SS**  trans-169.7151.2133.200000113.4
836A33.9Very low33.1Very low88 Ų88121.7 Ų121.773%0.72776%0.762SS**  trans60.2103.8147.400000122.1
837T32.2Very low33.2Very low147 Ų147125 Ų12590%0.90276%0.764SS**  33.6123.5125.9540000121.4
838G34Very low33.5Very low81 Ų81123 Ų12384%0.83576%0.757SS**  trans-149.3149.4163.600000111.6
839L37.9Very low33.6Very low161 Ų161128.6 Ų128.684%0.84376%0.764SS**  trans-96.1164.2-161.6-76160.8000116.1
840Q34Very low33.7Very low176 Ų176129 Ų12982%0.82277%0.77SS**  trans82.3131.5143.4-127.566.213.100122.6
841G36.4Very low33.8Very low66 Ų66132.1 Ų132.168%0.6878%0.779SS**  trans104.8141.416100000114.6
842L36.2Very low34.2Very low156 Ų156132.9 Ų132.982%0.81778%0.784SS**  cis-168.7140.7-8.9-158.477.2000106.7
843L38.3Very low34.4Very low142 Ų142132.8 Ų132.874%0.74378%0.783SS**  trans38.3136.8154.8-61.4166.1000119.4
844D37.8Very low34.8Very low131 Ų131137.1 Ų137.170%0.70179%0.789SS**  cis175.9174.242.4-140.1-23000112.3
845V38.9Very low35.2Very low102 Ų102135.8 Ų135.862%0.61879%0.785SS**  trans65.8109.4149.21720000120.8
846N35.4Very low35.4Very low140 Ų140138.5 Ų138.575%0.74979%0.786SS**  41140128.9-43.6-32.1000119.9
847K37.4Very low35.5Very low164 Ų164141.3 Ų141.371%0.71379%0.787SS**  cis-177145.645-165.8149.6174.4169.20112.2
848E36.4Very low35.7Very low155 Ų155142.3 Ų142.372%0.72478%0.782SS**  trans30.5129.8153.2-66.9158.7-179.800122.6
849Y30.7Very low35.6Very low233 Ų233149.3 Ų149.391%0.91478%0.783SS**  trans-57.2139.8151.5-74.4-107.8000111.4
850S36.2Very low35.4Very low120 Ų120146.9 Ų146.984%0.83978%0.775SS**  trans-155.6128.1148.6-80.70000110.2
851D32.2Very low35.5Very low165 Ų165143.5 Ų143.588%0.88277%0.77SS**  trans-62.4152.2170.1-67.2-66.8000111.5
852S36.5Very low35.6Very low114 Ų114147 Ų14780%0.79778%0.778SS**  167.4119.6113.6-172.50000110.8
853S32.4Very low35.4Very low111 Ų111144.9 Ų144.978%0.77678%0.777SS**  trans-95.3115.3162.7-67.30000109.4
854K38.9Very low35.4Very low194 Ų194147.4 Ų147.484%0.84378%0.782SS**  trans178.1149.9147.3-96.8145.8-168.1176.70112.3
855S36.1Very low35.1Very low109 Ų109145.8 Ų145.876%0.76278%0.781SS**  trans48.5110.1168.254.30000116.8
856L31.1Very low35.3Very low154 Ų154148.9 Ų148.981%0.80679%0.792SS**  cis49.685.847.4-152170.8000111.6
857L37.8Very low35.1Very low146 Ų146148.7 Ų148.776%0.76479%0.791SS**  trans-177.8146.6131.7-93.4171.7000110.7
858H35.3Very low35.2Very low169 Ų169152.8 Ų152.878%0.78280%0.802SS**  trans-42.3148.2175.6-46.9-94.9000113.9
859R32.6Very low35Very low228 Ų228150.6 Ų150.686%0.8680%0.804SS**  -178.9137.870.4-130178.2176.4-167.8-2.6113.1
860T33.9Very low35.2Very low110 Ų110143.6 Ų143.668%0.67579%0.794SS**  trans43.5111.2140.256.40000123
861S34.7Very low35.2Very low104 Ų104146.1 Ų146.173%0.72780%0.797SS**  82.6148.2116.2-53.90000123.3
862T39.1Very low35.4Very low139 Ų139143.5 Ų143.585%0.85379%0.792SS**  trans89.5109.317171.40000115.2
863S31.4Very low35.7Very low112 Ų112143.4 Ų143.478%0.78379%0.789SS**  cis95.2112.336.6-171.60000114.4
864K38.9Very low35.7Very low195 Ų195144.7 Ų144.785%0.84879%0.787SS**  trans156.8105.7157.9-89.9160.6-175.81800106.3
865S31.7Very low35.6Very low97 Ų97140 Ų14068%0.67878%0.779SS**  56.1114.755.6-174.60000113.6
866I42.5Very low35.6Very low168 Ų168142.2 Ų142.286%0.86278%0.782SS**  trans-161119.7137.3-93.9147000107.3
867D32.6Very low35.8Very low136 Ų136139 Ų13973%0.72778%0.778SS**  trans-75.2160.6169.9-67.1-73.1000112
868R38Very low35.8Very low250 Ų250138.1 Ų138.194%0.94378%0.781SS**  -160.3115.8127.4-109.5163.5-164.5-148.52.2113.4
869S33Very low35.9Very low109 Ų109137.3 Ų137.376%0.76278%0.782SS**  trans-71.6160.216743.40000112.4
870A34.3Very low36.3Very low86 Ų86131.9 Ų131.971%0.71178%0.777SS**  159.1161106.800000114.4
871L36.8Very low36.4Very low172 Ų172134.6 Ų134.690%0.90179%0.785SS**  trans83.893159.2-53.5176.6000120.3
872S35Very low36.3Very low110 Ų110134 Ų13477%0.76979%0.787SS**  trans-75.7-176.3137.3-1380000109
873P44.2Very low36.3Very low112 Ų112135.2 Ų135.273%0.72779%0.787SS**  cis-152.2-174.22346.7-25.2000118.9
874N31.1Very low36.7Very low138 Ų138135.3 Ų135.374%0.73879%0.785SS**  trans67.4119.6139.9-14713.1000122
875S37Very low36.7Very low97 Ų97133.2 Ų133.268%0.67878%0.783SS**  169.4136103.950.90000116.3
876N37.1Very low37.4Very low154 Ų154133.9 Ų133.982%0.82479%0.785SS**  trans62.7117.3146.2-56.8-16.2000122.4
877A35.3Very low37.6Very low87 Ų87134.6 Ų134.672%0.71979%0.785SS**  trans-80175164.100000112.3
878P37.8Very low38.1Very low128 Ų128133.4 Ų133.483%0.83178%0.784SS**  -143.6157.282.736.8-19.7000117
879N37.7Very low38.8Very low151 Ų151127.7 Ų127.781%0.80778%0.78SS**  trans-82.7-171.1166.3-71.1-29.5000110.9
880P41.4Very low39.3Very low115 Ų115128.6 Ų128.675%0.74778%0.781SS**  -131.8163.1-61.237.7-23.5000112.5
881I34.5Very low39.4Very low167 Ų167132.5 Ų132.586%0.85679%0.789SS**  trans-135.1131.5158-62.2-176.5000109.6
882A32.8Very low39.5Very low91 Ų91132 Ų13275%0.75279%0.785SS**  trans-100.7139.6-175.100000112.5
883L39.2Very low39.6Very low164 Ų164131.7 Ų131.786%0.85978%0.784SS**  trans-147.4156.3156.8-96.8119.1000110.3
884P39Very low39.7Very low115 Ų115132.4 Ų132.475%0.74779%0.788SS**PPolyproline II helixtrans-101.3160.2-147.237.6-35.7000116.5
885N39Very low40Very low151 Ų151131.2 Ų131.281%0.80779%0.79SS**PPolyproline II helixtrans-68.9134.4176.9-166.330.2000112.6
886P47.7Very low39.9Very low111 Ų111132.3 Ų132.372%0.72179%0.793SS**PPolyproline II helixtrans-77.4137.7177.630.4-34.3000112.9
887Q46Very low39.8Very low182 Ų182132.7 Ų132.785%0.8580%0.795SS**PPolyproline II helixtrans-81149.6174-72.7-177.7-53.100112.4
888P42.8Very low39.5Very low111 Ų111139.6 Ų139.672%0.72180%0.802SS**PPolyproline II helixtrans-73.4149.7161.732.5-33.6000111.2
889P53.2Low39.4Very low131 Ų131139.7 Ų139.785%0.85180%0.801SS**PPolyproline II helixtrans-76.8145.5-169.529.4-35.4000114.9
890T42.7Very low39.3Very low128 Ų128139 Ų13979%0.78580%0.802SS**PPolyproline II helixtrans-78.5135.8-176.4-49.20000113.3I892T890-I892 PolarHBondContact O-N 3.33Å
891L36.5Very low39Very low167 Ų167140.7 Ų140.787%0.87480%0.803SS**PPolyproline II helixtrans-67.1125.8167.5-73.2168.7000111.3
892I39.9Very low39.1Very low161 Ų161138.1 Ų138.183%0.82680%0.8SS**PPolyproline II helixtrans-88.8116.1174.1-62.9174.4000109.4T890T890-I892 PolarHBondContact O-N 3.33Å
893S36Very low39.2Very low105 Ų105141.6 Ų141.673%0.73480%0.8SS**PPolyproline II helixtrans-92.1133.3165.3-58.90000110.1S895S893-S895 PolarHBondContact O-N 2.94Å
894P48.2Very low39.1Very low127 Ų127139.1 Ų139.183%0.82580%0.797SS**  trans-74.2113.4172.329.4-31.7000110
895S36.3Very low39Very low112 Ų112144 Ų14478%0.78380%0.801SS**  trans-74.1139.9176.1-175.20000111.8S893S893-S895 PolarHBondContact O-N 2.94Å
896V34.6Very low38.9Very low120 Ų120143 Ų14373%0.72780%0.802SS**  trans-54.4135.9167.4176.30000110.6
897N36.3Very low38.5Very low162 Ų162142.4 Ų142.487%0.86680%0.796SS**  trans-132.5122.8156.9-99.3-28.1000110.3
898R28.5Very low38.1Very low232 Ų232144.1 Ų144.188%0.87580%0.795SS**  trans-86.2122.2175.2-82.4176.2159.6-159.6-1.7110.6
899T35.1Very low37.6Very low131 Ų131144.4 Ų144.480%0.80480%0.795SS**  trans176.4148141.425.50000106.8
900T36.4Very low37Very low135 Ų135142.9 Ų142.983%0.82879%0.787SS**  cis-149162.98.6-5.70000109.5
901I34.8Very low36.7Very low152 Ų152143 Ų14378%0.77978%0.783SS**  trans-85.6129.8179.9-64.3157.2000110.9
902S35.9Very low36.8Very low112 Ų112142 Ų14278%0.78378%0.778SS**  trans-162.8136.8145.8490000114.2
903H34.5Very low36.9Very low164 Ų164139.1 Ų139.176%0.75977%0.768SS**  trans-52.7151.8178.4-47.2-85.3000113.3
904S37.3Very low37.1Very low113 Ų113142.5 Ų142.579%0.7977%0.772SS**  -173.9130.871.1-64.10000115.7
905R37.8Very low36.7Very low218 Ų218143 Ų14382%0.82377%0.767SS**  trans56.5123133-154-174.9-156-1546.7121.8V907R905-V907 HydrophobicContact CG-CG2 4Å
906P37.1Very low37.1Very low128 Ų128142.9 Ų142.983%0.83176%0.761SS**  trans-101.6144.1145.934.4-27.8000112.4
907V39Very low37.4Very low100 Ų100145 Ų14561%0.60676%0.763SS**  trans-119.7110.7173.5178.60000105.8R905R905-V907 HydrophobicContact CG-CG2 4Å
908R36.3Very low37.7Very low217 Ų217145.9 Ų145.982%0.81976%0.762SS**  72.412675.6-144.4-156.6-177.2100.60.6114.2
909T34.1Very low38.3Very low117 Ų117139.6 Ų139.672%0.71875%0.754SS**  trans63.4149.9170.859.80000115
910S39.7Very low38.4Very low100 Ų100138.6 Ų138.670%0.69975%0.752SS**  cis-163.3173.816.7-9.60000107.7
911N36.7Very low38.5Very low130 Ų130137.6 Ų137.670%0.69575%0.751SS**  cis-169.5149.6-7.2-11711.4000109.6
912L39.2Very low38.7Very low146 Ų146136.1 Ų136.176%0.76475%0.751SS**  trans65.4158.7151.6-57165.7000117.1
913T42.1Very low39.4Very low101 Ų101137 Ų13762%0.6275%0.754SS**  cis-159.4150.914.3-18.70000110.4
914E38.8Very low39.3Very low175 Ų175138.9 Ų138.982%0.81876%0.76SS**  trans64.6147.6144.3-106.9152.7-158.400118.3
915I41.1Very low39.5Very low139 Ų139139.1 Ų139.171%0.71376%0.761SS**  cis-151.7135.632.3-63.6172.8000109
916T43.1Very low39.4Very low108 Ų108137.2 Ų137.266%0.66376%0.762SS**  trans24.7163.8153.968.50000122.6
917E42.6Very low39.4Very low165 Ų165139 Ų13977%0.77177%0.765SS**  cis-159.9157.6-7.5-108.7144.4-149.300103.1
918E42Very low39.4Very low180 Ų180137.7 Ų137.784%0.84177%0.771SS**  cis-163.9165.837.6-146179.2-174.300110.3
919S39.8Very low39.5Very low100 Ų100135.1 Ų135.170%0.69977%0.768SS**  trans-67161.4-179.269.20000114.8
920S37.6Very low39.6Very low111 Ų111137.5 Ų137.578%0.77677%0.768SS**  -173.8166.359.8-95.90000114
921S39.5Very low39.4Very low114 Ų114137.7 Ų137.780%0.79777%0.77SS**PPolyproline II helixtrans-95.5173.7-168-46.20000115.4
922P38Very low39.2Very low120 Ų120138.1 Ų138.178%0.77977%0.772SS**PPolyproline II helixtrans-91.9162-171.437.1-34.8000114.8
923P51.8Low39.1Very low130 Ų130137.4 Ų137.484%0.84477%0.767SS**PPolyproline II helixtrans-91.7154.7-176.635.5-34.8000115.3
924K32.5Very low38.6Very low204 Ų204142.3 Ų142.389%0.88778%0.776SS**  trans-108.6145.2169.4-68.2175.81741790111.4
925S40.8Very low38.2Very low118 Ų118138.3 Ų138.383%0.82577%0.767SS**  trans163.1130.7144.848.10000107.5
926E36.2Very low37.8Very low179 Ų179139.4 Ų139.484%0.83677%0.769SS**  cis86.3136.529.9-161.8167.7-157.300115
927N36.4Very low37.2Very low166 Ų166139.6 Ų139.689%0.88877%0.766SS**  trans73.6129-164.6-59.7-38000115
928G38.3Very low36.8Very low71 Ų71137.6 Ų137.673%0.73276%0.757SS**  cis-174.3178-500000107.8
929Q38.6Very low36.6Very low163 Ų163137 Ų13776%0.76275%0.751SS**  cis-152.1155.15.7-78.4-176-20.700109.4
930K36.7Very low36.2Very low167 Ų167140.8 Ų140.873%0.72676%0.758SS**  trans49.9105142.3-64.9170.9-176.6176.50118.1
931S35.7Very low35.9Very low104 Ų104140.3 Ų140.373%0.72775%0.754SS**  96.6153.891.680.20000112.2
932L33.3Very low35.5Very low140 Ų140144.9 Ų144.973%0.73375%0.754SS**  cis-159.4151.612.7-160.879.5000108.6
933I36.5Very low35.2Very low131 Ų131143.4 Ų143.467%0.67275%0.747SS**  trans62.8106.8146.6-86.8171.3000118.2
934Y30.9Very low34.2Very low204 Ų204144.3 Ų144.380%0.874%0.74SS**  78.4111.391.9-96.8-121.2000111.5
935S31Very low34.2Very low90 Ų90142.4 Ų142.463%0.62973%0.734SS**  77.1116.385.9-62.20000111.6
936E31.7Very low34.1Very low162 Ų162143.2 Ų143.276%0.75773%0.734SS**  167.8142.4117.3-98.6-165.510600111.7
937N31.3Very low34.1Very low112 Ų112140.2 Ų140.260%0.59973%0.727SS**  trans67.9150.9142.8-64.8-23.9000118.1
938Q34.3Very low34.3Very low124 Ų124138.5 Ų138.558%0.57972%0.722SS**  cis-162.2162.73.8-125.316664.200109.3
939K38.2Very low34.4Very low167 Ų167140.8 Ų140.873%0.72672%0.722SS**  trans51121.1142.9-73.5165.2-169.9164.40118.8
940Q30Very low34.7Very low180 Ų180138.1 Ų138.184%0.84172%0.719SS**  cis58.7121.436.3-151.2177.67.200114.6
941S32.8Very low34.9Very low100 Ų100137.1 Ų137.170%0.69972%0.717SS**  trans7787.7166.5-53.10000118.8
942R30.7Very low35.2Very low210 Ų210139.4 Ų139.479%0.79271%0.714SS**  -151.1106.9127.8-151.6171.9179.3167.11.4106.3E944R942-E944 IonicContact NE-OE2 3.47Å; R942-E944 PolarHBondContact NE-OE2 3.04Å; R942-E944 IonicContact NH2-OE2 3.73Å
943S31.4Very low35.5Very low90 Ų90137.1 Ų137.163%0.62971%0.709SS**  cis72.263.635.9-44.70000113.3
944E31.5Very low35.9Very low149 Ų149139.7 Ų139.770%0.69672%0.716SS**  trans176.9142.3160.2-95139.5-166.700103.7R942R942-E944 IonicContact NE-OE2 3.47Å; R942-E944 PolarHBondContact NE-OE2 3.04Å; R942-E944 IonicContact NH2-OE2 3.73Å
945E32.8Very low36.5Very low163 Ų163137.2 Ų137.276%0.76272%0.716SS**  cis-155129.513.7-158.2172.5152.100109.9
946V37.7Very low36.9Very low136 Ų136138.2 Ų138.282%0.82472%0.723SS**  trans-91.7108.7166170.30000107.4V948V946-V948 HydrophobicContact CG1-CG2 4.46Å; V946-V948 PolarHBondContact O-N 3.21Å; V946-V948 VanDerWaalsContact O-N 3.09Å
947V37.2Very low37.3Very low115 Ų115143.8 Ų143.870%0.69775%0.745SS**  trans-73.5100.2177.7177.60000110
948V39.8Very low37.6Very low130 Ų130145.4 Ų145.479%0.78875%0.752SS**  trans-132.4115.4153-1790000108.6V946V946-V948 HydrophobicContact CG1-CG2 4.46Å; V946-V948 PolarHBondContact O-N 3.21Å; V946-V948 VanDerWaalsContact O-N 3.09Å
949V41Very low37.8Very low119 Ų119146.5 Ų146.572%0.72176%0.761SS**  trans-120.1142.2175.1163.50000104.6
950P44Very low37.7Very low108 Ų108145.3 Ų145.370%0.70176%0.763SS**  cis-135.9165.437.718.38.3000118.5
951E40.6Very low38.2Very low146 Ų146143.3 Ų143.368%0.68276%0.758SS**  26145.3129.9-52.8-153.2138.800121
952K41.7Very low38.5Very low152 Ų152146 Ų14666%0.66176%0.762SS**  cis-163.8141.36.8-126.6166.6-169.5145.10111.5
953S41.2Very low39.1Very low91 Ų91141.7 Ų141.764%0.63676%0.76SS**  trans56.4122.5139.768.50000123.1
954K45.2Very low39.6Very low186 Ų186145.4 Ų145.481%0.80977%0.769SS**  trans89.7110.8132.4-70.8167-176.9178.70120.9
955N41.6Very low40.2Very low152 Ų152145.2 Ų145.281%0.81378%0.775SS**  trans71.3111.5130.4-70.512.1000121.4
956S41Very low40.9Very low110 Ų110143.7 Ų143.777%0.76978%0.776SS**  6884.7121.5-177.50000118.6
957K39.3Very low41.1Very low279 Ų279144.4 Ų144.4100%1.21377%0.772SS**  -159.70105.6-115.3175.7-179.8178.80111.6

Retrieved 957 of 957 residues in 298.6 ms (Link to these results)