A0A087X3G8_POEFO Loading...

Coiled-coil domain containing 12

AlphaFold DB , UniProt , Accession A0A087X3G8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 163 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
1M44.7Very low69.7Low234 Ų234133.7 Ų133.7100%1.15369%0.688SS**  096.60-66.1-174.4-160.600107.7K3M1-K3 PolarHBondContact O-N 3Å
2E56.3Low71.5Confident184 Ų184127.3 Ų127.386%0.8667%0.669SS**  trans-72.8116.7179.8-64.1-178.4162.200108.9N4E2-N4 PolarHBondContact O-N 2.72Å
3K60.4Low73.1Confident196 Ų196125 Ų12585%0.85266%0.657SS**  trans-82.3100.7176.4-68.1179.7-177.8175.90107.7M1 V5M1-K3 PolarHBondContact O-N 3Å; K3-V5 PolarHBondContact O-N 3.25Å
4N59.7Low74.5Confident120 Ų120125.9 Ų125.964%0.64265%0.653SS**  trans-54.5101.9176.2-76.6-5.1000110.9E2 G6 S7E2-N4 PolarHBondContact O-N 2.72Å; N4-G6 PolarHBondContact O-N 3.24Å; N4-S7 WeakPolarHBondContact O-CB 3.35Å; N4-S7 PolarHBondContact O-N 2.66Å; N4-S7 PolarHBondContact O-OG 3.39Å
5V62.2Low75.7Confident127 Ų127128.9 Ų128.977%0.7765%0.653SS**Hα-helixtrans-55.4-22.4179-70.40000113.8K3 S7K3-V5 PolarHBondContact O-N 3.25Å; V5-S7 PolarHBondContact O-N 3.48Å
6G69.3Low76.9Confident41 Ų41130.4 Ų130.442%0.42365%0.653SS.*Hα-helixtrans-64.6-33.7172.500000114.1N4 L8 Q9 E10N4-G6 PolarHBondContact O-N 3.24Å; G6-L8 VanDerWaalsContact C-N 3.33Å; G6-L8 PolarHBondContact O-N 3.24Å; G6-Q9 PolarHBondContact O-N 3.18Å; G6-E10 PolarHBondContact O-N 2.96Å
7S74.7Confident77.9Confident61 Ų61130.7 Ų130.743%0.42765%0.652SS.*Hα-helixtrans-68.1-31.7-179.667.20000113.1N4 V5 Q11N4-S7 WeakPolarHBondContact O-CB 3.35Å; N4-S7 PolarHBondContact O-N 2.66Å; N4-S7 PolarHBondContact O-OG 3.39Å; V5-S7 PolarHBondContact O-N 3.48Å; S7-Q11 WeakPolarHBondContact O-CG 3.29Å; S7-Q11 PolarHBondContact O-N 3.49Å
8L79.7Confident78.8Confident123 Ų123134.1 Ų134.164%0.64466%0.656SS**Hα-helixtrans-73.2-39.4178.3-161.4106.1000111.1G6 Q11 A12G6-L8 VanDerWaalsContact C-N 3.33Å; G6-L8 PolarHBondContact O-N 3.24Å; L8-Q11 PolarHBondContact O-N 3.28Å; L8-A12 PolarHBondContact O-N 3.1Å
9Q84.6Confident79.5Confident134 Ų134131.7 Ų131.763%0.62665%0.646SS**Hα-helixtrans-62.8-44.9177.7-158.882.1-9.700111.1G6 A12 L13G6-Q9 PolarHBondContact O-N 3.18Å; Q9-A12 PolarHBondContact O-N 3.47Å; Q9-L13 WeakPolarHBondContact O-CG 3.43Å; Q9-L13 PolarHBondContact O-N 2.75Å; Q9-L13 VanDerWaalsContact O-N 3.11Å
10E87.1Confident80.2Confident118 Ų118132.1 Ų132.155%0.55164%0.644SS**Hα-helixtrans-63.3-41.1176.3-73.6179.1-169.200112.5G6 A12 L13 K14G6-E10 PolarHBondContact O-N 2.96Å; E10-A12 VanDerWaalsContact C-N 3.34Å; E10-A12 PolarHBondContact O-N 3.42Å; E10-L13 PolarHBondContact O-N 3.33Å; E10-K14 WeakPolarHBondContact O-CG 3.4Å; E10-K14 PolarHBondContact O-N 3.06Å
11Q88.3Confident80.7Confident133 Ų133128.7 Ų128.762%0.62164%0.637SS**Hα-helixtrans-65.1-37.4176.2-74.6-179.88.200112.2S7 L8 K14 R15S7-Q11 WeakPolarHBondContact O-CG 3.29Å; S7-Q11 PolarHBondContact O-N 3.49Å; L8-Q11 PolarHBondContact O-N 3.28Å; Q11-K14 PolarHBondContact O-N 3.11Å; Q11-R15 PolarHBondContact O-N 3.22Å
12A91.3Very high82.8Confident56 Ų56122.5 Ų122.546%0.46361%0.608SS.*Hα-helixtrans-64.5-41.5176.300000112.1L8 Q9 E10 R15 K16L8-A12 PolarHBondContact O-N 3.1Å; Q9-A12 PolarHBondContact O-N 3.47Å; E10-A12 VanDerWaalsContact C-N 3.34Å; E10-A12 PolarHBondContact O-N 3.42Å; A12-R15 PolarHBondContact O-N 3.16Å; A12-K16 WeakPolarHBondContact O-CB 3.49Å; A12-K16 PolarHBondContact O-N 3.04Å
13L92.3Very high84.3Confident98 Ų98123.1 Ų123.151%0.51360%0.603SS.*Hα-helixtrans-64.6-46.7175.8-68.8176.2000111.8Q9 E10 R15 K16 E17Q9-L13 WeakPolarHBondContact O-CG 3.43Å; Q9-L13 PolarHBondContact O-N 2.75Å; Q9-L13 VanDerWaalsContact O-N 3.11Å; E10-L13 PolarHBondContact O-N 3.33Å; L13-R15 VanDerWaalsContact C-N 3.28Å; L13-R15 PolarHBondContact O-N 3.15Å; L13-K16 WeakPolarHBondContact O-CB 3.22Å; L13-K16 PolarHBondContact O-N 3.22Å; L13-K16 VanDerWaalsContact O-N 3.08Å; L13-E17 PolarHBondContact O-N 3.46Å
14K92.7Very high85.6Confident137 Ų137117 Ų11760%0.59658%0.579SS**Hα-helixtrans-57.8-39.9175.5-72.1176.3-176174.10112.3E10 Q11 R18E10-K14 WeakPolarHBondContact O-CG 3.4Å; E10-K14 PolarHBondContact O-N 3.06Å; Q11-K14 PolarHBondContact O-N 3.11Å; K14-R18 WeakPolarHBondContact O-CB 3.5Å; K14-R18 PolarHBondContact O-N 3.04Å; K14-R18 VanDerWaalsContact O-N 3.13Å
15R92.3Very high86.7Confident172 Ų172119.2 Ų119.265%0.64958%0.583SS**Hα-helixtrans-65.4-43.6175.1-177.2178.9176.888.2-0.4111.7Q11 A12 L13 R18 L19Q11-R15 PolarHBondContact O-N 3.22Å; A12-R15 PolarHBondContact O-N 3.16Å; L13-R15 VanDerWaalsContact C-N 3.28Å; L13-R15 PolarHBondContact O-N 3.15Å; R15-R18 PolarHBondContact O-N 3.07Å; R15-L19 HydrophobicContact CG-CD1 4.12Å; R15-L19 HydrophobicContact CG-CG 4.48Å; R15-L19 WeakPolarHBondContact O-CG 3.42Å; R15-L19 PolarHBondContact O-N 3.04Å
16K94.9Very high87.8Confident153 Ų153120.9 Ų120.967%0.66558%0.58SS**Hα-helixtrans-60.2-45.2179.2-176.5-179.5177.3-177.70111.5A12 L13 L19 K20A12-K16 WeakPolarHBondContact O-CB 3.49Å; A12-K16 PolarHBondContact O-N 3.04Å; L13-K16 WeakPolarHBondContact O-CB 3.22Å; L13-K16 PolarHBondContact O-N 3.22Å; L13-K16 VanDerWaalsContact O-N 3.08Å; K16-L19 PolarHBondContact O-N 3.24Å; K16-K20 PolarHBondContact O-N 3.31Å
17E94.3Very high88.2Confident135 Ų135123.8 Ų123.863%0.63159%0.586SS**Hα-helixtrans-62.9-46177.2-70.8173.8174.600111.9L13 L19 K20 A21L13-E17 PolarHBondContact O-N 3.46Å; E17-L19 VanDerWaalsContact C-N 3.32Å; E17-L19 PolarHBondContact O-N 2.94Å; E17-K20 WeakPolarHBondContact O-CB 3.47Å; E17-K20 PolarHBondContact O-N 3.13Å; E17-K20 VanDerWaalsContact O-N 3.16Å; E17-A21 PolarHBondContact O-N 3.19Å
18R93.4Very high87.8Confident191 Ų191126.7 Ų126.772%0.72159%0.592SS**Hα-helixtrans-59.3-41.7177-173.7176.7-179.7153.90.5112.5K14 R15 L22K14-R18 WeakPolarHBondContact O-CB 3.5Å; K14-R18 PolarHBondContact O-N 3.04Å; K14-R18 VanDerWaalsContact O-N 3.13Å; R15-R18 PolarHBondContact O-N 3.07Å; R18-L22 PolarHBondContact O-N 3.27Å
19L93Very high87.2Confident90 Ų90122.7 Ų122.747%0.47158%0.581SS.*Hα-helixtrans-68.6-35.2177.6-72.7175.2000112.3R15 K16 E17 L22 R23R15-L19 HydrophobicContact CG-CD1 4.12Å; R15-L19 HydrophobicContact CG-CG 4.48Å; R15-L19 WeakPolarHBondContact O-CG 3.42Å; R15-L19 PolarHBondContact O-N 3.04Å; K16-L19 PolarHBondContact O-N 3.24Å; E17-L19 VanDerWaalsContact C-N 3.32Å; E17-L19 PolarHBondContact O-N 2.94Å; L19-L22 PolarHBondContact O-N 3.04Å; L19-R23 PolarHBondContact O-N 3.36Å; L19-R23 VanDerWaalsContact O-N 3.13Å
20K93.4Very high86.1Confident139 Ų139125.1 Ų125.160%0.60458%0.584SS**Hα-helixtrans-63.5-47.6175.1-171.7179.6174.2-174.30111.1K16 E17 L22 R23 D24K16-K20 PolarHBondContact O-N 3.31Å; E17-K20 WeakPolarHBondContact O-CB 3.47Å; E17-K20 PolarHBondContact O-N 3.13Å; E17-K20 VanDerWaalsContact O-N 3.16Å; K20-L22 VanDerWaalsContact C-N 3.29Å; K20-L22 PolarHBondContact O-N 3.23Å; K20-R23 WeakPolarHBondContact O-CB 3.45Å; K20-R23 PolarHBondContact O-N 3.13Å; K20-D24 PolarHBondContact O-N 2.93Å
21A91Very high84.6Confident61 Ų61126.5 Ų126.550%0.50459%0.591SS.*Hα-helixtrans-59.4-37.1177.600000113.4E17 K25E17-A21 PolarHBondContact O-N 3.19Å; A21-K25 WeakPolarHBondContact O-CB 3.49Å; A21-K25 PolarHBondContact O-N 3.28Å
22L87.3Confident83Confident104 Ų104128.5 Ų128.555%0.54560%0.6SS.*Hα-helixtrans-67.8-37.1174.7-75.1173.5000112.7R18 L19 K20 K26R18-L22 PolarHBondContact O-N 3.27Å; L19-L22 PolarHBondContact O-N 3.04Å; K20-L22 VanDerWaalsContact C-N 3.29Å; K20-L22 PolarHBondContact O-N 3.23Å; L22-K26 PolarHBondContact O-N 3.38Å; L22-K26 VanDerWaalsContact O-N 3.16Å
23R88.9Confident81Confident196 Ų196133.6 Ų133.674%0.7461%0.614SS**Hα-helixtrans-65-47.3174.9-105.1-172.9168.2129.8-2.7111.3L19 K20 K25 K26 L27L19-R23 PolarHBondContact O-N 3.36Å; L19-R23 VanDerWaalsContact O-N 3.13Å; K20-R23 WeakPolarHBondContact O-CB 3.45Å; K20-R23 PolarHBondContact O-N 3.13Å; R23-K25 VanDerWaalsContact C-N 3.34Å; R23-K25 PolarHBondContact O-N 3.13Å; R23-K26 PolarHBondContact O-N 3.16Å; R23-K26 VanDerWaalsContact O-N 3.15Å; R23-L27 PolarHBondContact O-N 3.37Å; R23-L27 VanDerWaalsContact O-N 3.07Å
24D87.3Confident79Confident67 Ų67135.8 Ų135.836%0.35863%0.626SS.*Hα-helixtrans-62.5-43.9-179.1-62.3-18.6000110.1K20 K26 L27 H28K20-D24 PolarHBondContact O-N 2.93Å; D24-K26 VanDerWaalsContact C-N 3.31Å; D24-K26 PolarHBondContact O-N 3.48Å; D24-L27 PolarHBondContact O-N 3.46Å; D24-H28 PolarHBondContact O-N 3.25Å; D24-H28 PolarHBondContact O-ND1 3.03Å
25K83.9Confident76.7Confident168 Ų168138.6 Ų138.673%0.7364%0.642SS**Hα-helixtrans-60.2-37175-171.6173.7-178.3177.80113.3A21 R23 G29A21-K25 WeakPolarHBondContact O-CB 3.49Å; A21-K25 PolarHBondContact O-N 3.28Å; R23-K25 VanDerWaalsContact C-N 3.34Å; R23-K25 PolarHBondContact O-N 3.13Å; K25-G29 PolarHBondContact O-N 3Å; K25-G29 VanDerWaalsContact O-N 3.1Å
26K85.4Confident74.6Confident162 Ų162139.8 Ų139.870%0.70466%0.655SS**Hα-helixtrans-70.8-34.3178.6-171.7176.5-179-178.80112.5L22 R23 D24 R30L22-K26 PolarHBondContact O-N 3.38Å; L22-K26 VanDerWaalsContact O-N 3.16Å; R23-K26 PolarHBondContact O-N 3.16Å; R23-K26 VanDerWaalsContact O-N 3.15Å; D24-K26 VanDerWaalsContact C-N 3.31Å; D24-K26 PolarHBondContact O-N 3.48Å; K26-R30 PolarHBondContact O-N 2.99Å
27L75.6Confident72.3Confident102 Ų102138.1 Ų138.153%0.53466%0.659SS.*Hα-helixtrans-70.6-48.9177-73.5165.9000111.1R23 D24 G29 R30 E31R23-L27 PolarHBondContact O-N 3.37Å; R23-L27 VanDerWaalsContact O-N 3.07Å; D24-L27 PolarHBondContact O-N 3.46Å; L27-G29 VanDerWaalsContact C-N 3.25Å; L27-G29 PolarHBondContact O-N 3.4Å; L27-R30 PolarHBondContact O-N 2.79Å; L27-E31 PolarHBondContact O-N 3.35Å
28H68.3Low70.1Confident121 Ų121141.4 Ų141.456%0.5668%0.675SS**Hα-helixtrans-64.4-30178.2-6877.6000112.7D24 R30D24-H28 PolarHBondContact O-N 3.25Å; D24-H28 PolarHBondContact O-ND1 3.03Å; H28-R30 VanDerWaalsContact C-N 3.27Å; H28-R30 PolarHBondContact O-N 3.15Å
29G65.6Low67.8Low40 Ų40137.4 Ų137.441%0.41268%0.676SS.*THydrogen-bonded Turntrans-72-17.7173.200000114.3K25 L27K25-G29 PolarHBondContact O-N 3Å; K25-G29 VanDerWaalsContact O-N 3.1Å; L27-G29 VanDerWaalsContact C-N 3.25Å; L27-G29 PolarHBondContact O-N 3.4Å
30R62Low65.6Low185 Ų185143.1 Ų143.170%0.69870%0.697SS**THydrogen-bonded Turntrans-94.3-25.5179.1-171.8159.7174.6147.6-4112.7K26 L27 H28 Q32K26-R30 PolarHBondContact O-N 2.99Å; L27-R30 PolarHBondContact O-N 2.79Å; H28-R30 VanDerWaalsContact C-N 3.27Å; H28-R30 PolarHBondContact O-N 3.15Å; R30-Q32 PolarHBondContact O-N 3.04Å
31E54.7Low63Low147 Ų147146.5 Ų146.569%0.68771%0.712SS**THydrogen-bonded Turntrans-74.2-10.3175.6-69.5174.5175.100113.4L27L27-E31 PolarHBondContact O-N 3.35Å
32Q54.5Low60.9Low175 Ų175148.5 Ų148.582%0.81873%0.729SS**THydrogen-bonded Turntrans-93.3-3.4177.6-70.9-175.7-6.200114.5R30R30-Q32 PolarHBondContact O-N 3.04Å
33E51.1Low58.6Low162 Ų162148.7 Ų148.776%0.75775%0.745SS**SBendtrans-1101.1-173.5-72.4-175.3164.800115.1E35E33-E35 PolarHBondContact O-N 3.08Å
34D48.5Very low56.7Low144 Ų144147 Ų14777%0.7775%0.749SS**  trans-99.673.5179.7-72-35.1000112.3
35E46.3Very low54.5Low196 Ų196152 Ų15292%0.91677%0.771SS**  trans-124.8110.7158.6-88.5-171.9166.700109.4E33E33-E35 PolarHBondContact O-N 3.08Å
36E47.6Very low52.6Low197 Ų197152.6 Ų152.692%0.92178%0.776SS**  trans-76.5143.1176.8-78.3-171.2143.600112.6
37P45.7Very low50.7Low118 Ų118151.6 Ų151.677%0.76678%0.784SS**  trans-94.9127.9173.233.5-29.5000113.9S39P37-S39 PolarHBondContact O-N 3.3Å
38E49.5Very low49.3Very low205 Ų205151.1 Ų151.196%0.95879%0.787SS**  trans-70.6101.7169.3-69.2-169.114900111.8
39S43.5Very low48.7Very low107 Ų107154.8 Ų154.875%0.74880%0.804SS**  trans-134.668171.272.40000112.7P37P37-S39 PolarHBondContact O-N 3.3Å
40K46.4Very low48.3Very low209 Ų209159 Ų15991%0.90981%0.813SS**  trans-143.482.2165.6-74-174.4-177.81710111.4
41K40.4Very low48.1Very low211 Ų211160.1 Ų160.192%0.91782%0.823SS**  trans-129.6116.7150.4-72.8-170.1-174.2178.50108.8
42A46Very low48.5Very low103 Ų103160.6 Ų160.685%0.85183%0.825SS**  trans-68.6132.6-179.700000111
43A39.6Very low49.2Very low107 Ų107163.9 Ų163.988%0.88483%0.83SS**  trans-107.6109.3162.100000107.2
44L48.1Very low50.3Low160 Ų160163.8 Ų163.884%0.83883%0.83SS**  trans-97.9138.4169.3-15088000106.6
45E42.7Very low51.6Low173 Ų173161.4 Ų161.481%0.80882%0.816SS**  trans113.8135.2164-60.3-160.415500119
46E42.3Very low53.2Low180 Ų180158.6 Ų158.684%0.84180%0.801SS**  trans89105166-54.1-162156.500119.3P48E46-P48 WeakPolarHBondContact O-CD 3.42Å
47T47Very low54.8Low141 Ų141150.4 Ų150.487%0.86576%0.763SS**  trans-66.9118.717045.90000111.9
48P45.1Very low56.5Low92 Ų92153.9 Ų153.960%0.59776%0.761SS**  trans-85.2147.714822.6-6.5000108.4E46 E50E46-P48 WeakPolarHBondContact O-CD 3.42Å; P48-E50 HydrophobicContact CG-CG 4.14Å; P48-E50 PolarHBondContact O-N 3.39Å
49E55.7Low58Low198 Ų198152 Ų15293%0.92576%0.758SS**  trans-62.982.5162-68.6-177.5162.300108.4K51E49-K51 PolarHBondContact O-N 3.02Å
50E57.1Low59.8Low130 Ų130153.9 Ų153.961%0.60775%0.75SS**  trans-65.7105.6168.5-67.7-172.1170.100105.8P48 H52P48-E50 HydrophobicContact CG-CG 4.14Å; P48-E50 PolarHBondContact O-N 3.39Å; E50-H52 PolarHBondContact O-CD2 3.48Å; E50-H52 PolarHBondContact O-N 3.08Å
51K59Low61.4Low208 Ų208148 Ų14890%0.90473%0.731SS**  trans-57.588.6161.9-70.1179.5-179179.90106.6E49 R53E49-K51 PolarHBondContact O-N 3.02Å; K51-R53 PolarHBondContact O-N 3.05Å
52H61.8Low63.4Low156 Ų156138.2 Ų138.272%0.72269%0.689SS**  trans-53.6130.5177.8-69.9-67.2000106.9E50 E54E50-H52 PolarHBondContact O-CD2 3.48Å; E50-H52 PolarHBondContact O-N 3.08Å; H52-E54 PolarHBondContact O-N 2.99Å
53R69.9Low64.9Low244 Ų244141.7 Ų141.792%0.92169%0.688SS**  trans-43.5129.9179.7-69174.7171178.8-3109.4K51 L55K51-R53 PolarHBondContact O-N 3.05Å; R53-L55 PolarHBondContact O-N 3.39Å
54E73.1Confident66.8Low161 Ų161141.8 Ų141.875%0.75267%0.674SS**  trans-45.5125.5-178.5-65.9169.1176.800111.2H52 K56H52-E54 PolarHBondContact O-N 2.99Å; E54-K56 PolarHBondContact O-N 3.11Å; E54-K56 VanDerWaalsContact O-N 3.11Å
55L76.4Confident68Low93 Ų93141.8 Ų141.849%0.48767%0.669SS.*  trans-63.1110.4-177.4179.266.9000109.8R53 L57 L67 R70R53-L55 PolarHBondContact O-N 3.39Å; L55-L57 HydrophobicContact CD1-CD2 4.21Å; L55-L57 HydrophobicContact CD2-CD2 4.2Å; L55-L57 HydrophobicContact CG-CD2 4.05Å; L55-L57 HydrophobicContact CG-CG 4.35Å; L55-L67 HydrophobicContact CD2-CD2 4.3Å; L55-R70 VanDerWaalsContact O-CB 3.29Å; L55-R70 WeakPolarHBondContact O-CB 3.33Å
56K80.3Confident69.6Low137 Ų137140.8 Ų140.860%0.59666%0.664SS**  trans-105.6111.9177.6-71.3179.3-172.91800110.5E54 R58 V72E54-K56 PolarHBondContact O-N 3.11Å; E54-K56 VanDerWaalsContact O-N 3.11Å; K56-R58 PolarHBondContact O-N 3.29Å; K56-V72 HydrophobicContact CB-CG2 3.82Å; K56-V72 HydrophobicContact CG-CG2 4.37Å
57L81.2Confident71.1Confident25 Ų25134.6 Ų134.613%0.13164%0.637CS.*BIsolated β-bridgetrans-89.2109.9-177.6-59.9172.7000109.8L55 Y60 P62 L67 R70 Q71 V72L55-L57 HydrophobicContact CD1-CD2 4.21Å; L55-L57 HydrophobicContact CD2-CD2 4.2Å; L55-L57 HydrophobicContact CG-CD2 4.05Å; L55-L57 HydrophobicContact CG-CG 4.35Å; L57-Y60 HydrophobicContact CD1-CD1 4.42Å; L57-P62 HydrophobicContact CD1-CB 4.25Å; L57-P62 HydrophobicContact CD1-CG 3.62Å; L57-L67 HydrophobicContact CD1-CB 4.38Å; L57-R70 PolarHBondContact N-O 3.5Å; L57-R70 VanDerWaalsContact N-O 3.13Å; L57-Q71 WeakPolarHBondContact O-CA 3.49Å; L57-Q71 WeakPolarHBondContact O-CG 3.41Å; L57-V72 PolarHBondContact O-N 3.5Å
58R81.9Confident72.3Confident192 Ų192132.4 Ų132.473%0.72562%0.615SS**SBendtrans-99.7-33.9-178.7-58.3179.190.5113.8-0.8113.2K56 V72K56-R58 PolarHBondContact O-N 3.29Å; R58-V72 HydrophobicContact CG-CB 4.08Å; R58-V72 HydrophobicContact CG-CG2 3.79Å
59N80.8Confident73.7Confident165 Ų165136.4 Ų136.488%0.88263%0.626SS**SBendtrans-112.3-19.2-175.2-163.9-54.1000112.9
60Y81.7Confident74.5Confident147 Ų147133 Ų13358%0.57661%0.605SS**  trans-106.4143.5-177.4-173.9-111000111.8L57 P62 Q71L57-Y60 HydrophobicContact CD1-CD1 4.42Å; Y60-P62 HydrophobicContact CD1-CB 4.28Å; Y60-P62 HydrophobicContact CE1-CB 3.92Å; Y60-Q71 PolarHBondContact O-NE2 3.07Å
61T78.5Confident75.5Confident86 Ų86130 Ų13053%0.52859%0.59SS.*  trans-114.2104.7173-46.80000108.1Q71T61-Q71 PolarHBondContact OG1-NE2 3.48Å; T61-Q71 VanDerWaalsContact OG1-NE2 3.08Å
62P83Confident76.4Confident5 Ų5121.9 Ų121.93%0.03256%0.558CS.*  trans-74.9153.1-178.531.4-34.3000111.5L57 Y60 L67 K68L57-P62 HydrophobicContact CD1-CB 4.25Å; L57-P62 HydrophobicContact CD1-CG 3.62Å; Y60-P62 HydrophobicContact CD1-CB 4.28Å; Y60-P62 HydrophobicContact CE1-CB 3.92Å; P62-L67 HydrophobicContact CB-CB 3.67Å; P62-L67 HydrophobicContact CB-CD1 4.29Å; P62-L67 VanDerWaalsContact CG-C 3.43Å; P62-L67 HydrophobicContact CG-CB 3.5Å; P62-L67 WeakPolarHBondContact CG-O 3.03Å; P62-K68 HydrophobicContact CG-CG 4.15Å; P62-K68 WeakPolarHBondContact O-CE 3.39Å; P62-K68 WeakPolarHBondContact O-CG 3.37Å
63E76.8Confident77.1Confident176 Ų176119.9 Ų119.982%0.82256%0.559SS**SBendtrans-79.6-31.6175.1-66.6-174.6169.700112.1K68E63-K68 WeakPolarHBondContact O-CE 3.49Å; E63-K68 PolarHBondContact O-NZ 3.37Å
64D80.5Confident77.3Confident109 Ų109116.9 Ų116.958%0.58355%0.553SS**SBendtrans-69.3136.9178.1-63.4-43.1000113.1L67 K68D64-L67 HydrophobicContact CB-CB 4.49Å; D64-L67 HydrophobicContact CB-CD1 4.29Å; D64-L67 HydrophobicContact CB-CG 4.42Å; D64-L67 PolarHBondContact O-N 2.99Å; D64-K68 WeakPolarHBondContact O-CG 3.1Å; D64-K68 PolarHBondContact O-N 3.36Å
65E73.6Confident77.2Confident160 Ų160113.8 Ų113.875%0.74856%0.555SS**Hα-helixtrans-66.2-39.7-174.5-62.1-172.6157.900113.1L67 K68E65-L67 VanDerWaalsContact C-N 3.27Å; E65-L67 PolarHBondContact O-N 3.24Å; E65-K68 PolarHBondContact O-N 3.22Å
66E75.3Confident77Confident151 Ų151118.7 Ų118.771%0.70657%0.572SS**Hα-helixtrans-65.6-29179.2-60.6-174.3171.600113.4
67L74.3Confident76.4Confident50 Ų50118 Ų11826%0.26258%0.582SS.*Hα-helixtrans-86.9-22.8179.8-64.7178000112L55 L57 P62 D64 E65 R70L55-L67 HydrophobicContact CD2-CD2 4.3Å; L57-L67 HydrophobicContact CD1-CB 4.38Å; P62-L67 HydrophobicContact CB-CB 3.67Å; P62-L67 HydrophobicContact CB-CD1 4.29Å; P62-L67 VanDerWaalsContact CG-C 3.43Å; P62-L67 HydrophobicContact CG-CB 3.5Å; P62-L67 WeakPolarHBondContact CG-O 3.03Å; D64-L67 HydrophobicContact CB-CB 4.49Å; D64-L67 HydrophobicContact CB-CD1 4.29Å; D64-L67 HydrophobicContact CB-CG 4.42Å; D64-L67 PolarHBondContact O-N 2.99Å; E65-L67 VanDerWaalsContact C-N 3.27Å; E65-L67 PolarHBondContact O-N 3.24Å; L67-R70 PolarHBondContact O-N 3.41Å
68K73.3Confident75.7Confident96 Ų96120.6 Ų120.642%0.41761%0.607SS.*Hα-helixtrans-66.1-37.8174.1-75.3172.9-167.5158.80112P62 E63 D64 E65 R70 Q71P62-K68 HydrophobicContact CG-CG 4.15Å; P62-K68 WeakPolarHBondContact O-CE 3.39Å; P62-K68 WeakPolarHBondContact O-CG 3.37Å; E63-K68 WeakPolarHBondContact O-CE 3.49Å; E63-K68 PolarHBondContact O-NZ 3.37Å; D64-K68 WeakPolarHBondContact O-CG 3.1Å; D64-K68 PolarHBondContact O-N 3.36Å; E65-K68 PolarHBondContact O-N 3.22Å; K68-R70 PolarHBondContact O-N 2.97Å; K68-Q71 VanDerWaalsContact O-CB 3.22Å; K68-Q71 WeakPolarHBondContact O-CB 3.46Å; K68-Q71 PolarHBondContact O-N 3.19Å
69E73.9Confident75.2Confident175 Ų175114.1 Ų114.182%0.81859%0.591SS**THydrogen-bonded Turntrans-62.1-24.3176-64.1-171.9167.200112.6Q71E69-Q71 VanDerWaalsContact C-N 3.32Å
70R73Confident74.7Confident128 Ų128110.8 Ų110.848%0.48358%0.577SS.*THydrogen-bonded Turntrans-90.46.5178.4-54.6-178.6-175.6-177.61.1113.4L55 L57 L67 K68L55-R70 VanDerWaalsContact O-CB 3.29Å; L55-R70 WeakPolarHBondContact O-CB 3.33Å; L57-R70 PolarHBondContact N-O 3.5Å; L57-R70 VanDerWaalsContact N-O 3.13Å; L67-R70 PolarHBondContact O-N 3.41Å; K68-R70 PolarHBondContact O-N 2.97Å
71Q78.1Confident74.2Confident65 Ų65110 Ų11030%0.30458%0.578SS.*BIsolated β-bridgetrans-76.7129.8175.5-167.6174.950.800110.7L57 Y60 T61 K68 E69L57-Q71 WeakPolarHBondContact O-CA 3.49Å; L57-Q71 WeakPolarHBondContact O-CG 3.41Å; Y60-Q71 PolarHBondContact O-NE2 3.07Å; T61-Q71 PolarHBondContact OG1-NE2 3.48Å; T61-Q71 VanDerWaalsContact OG1-NE2 3.08Å; K68-Q71 VanDerWaalsContact O-CB 3.22Å; K68-Q71 WeakPolarHBondContact O-CB 3.46Å; K68-Q71 PolarHBondContact O-N 3.19Å; E69-Q71 VanDerWaalsContact C-N 3.32Å
72V76.8Confident73.8Confident38 Ų38110.6 Ų110.623%0.2358%0.578CS.*PPolyproline II helixtrans-73.3125.9177.4179.70000108.8K56 L57 R58 K74K56-V72 HydrophobicContact CB-CG2 3.82Å; K56-V72 HydrophobicContact CG-CG2 4.37Å; L57-V72 PolarHBondContact O-N 3.5Å; R58-V72 HydrophobicContact CG-CB 4.08Å; R58-V72 HydrophobicContact CG-CG2 3.79Å; V72-K74 PolarHBondContact O-N 3.48Å
73P77.9Confident73.2Confident115 Ų115116.6 Ų116.675%0.74760%0.604SS**PPolyproline II helixtrans-60.2133.3178.724-33.1000110A75P73-A75 PolarHBondContact O-N 3.21Å; P73-A75 VanDerWaalsContact O-N 3.15Å
74K72.9Confident73Confident180 Ų180111.5 Ų111.578%0.78359%0.585SS**PPolyproline II helixtrans-62.6119176.9-67.1-178.9-179.3178.10108.4V72 K76V72-K74 PolarHBondContact O-N 3.48Å; K74-K76 PolarHBondContact O-N 2.76Å
75A71.1Confident72.8Confident97 Ų97112.7 Ų112.780%0.80259%0.585SS**PPolyproline II helixtrans-60.4123.8176.400000109.1P73P73-A75 PolarHBondContact O-N 3.21Å; P73-A75 VanDerWaalsContact O-N 3.15Å
76K72.4Confident72.8Confident195 Ų195110.1 Ų110.185%0.84858%0.576SS**PPolyproline II helixtrans-69.5128.3168.8-67.7178.3-178.6178.20107.2K74 A78K74-K76 PolarHBondContact O-N 2.76Å; K76-A78 PolarHBondContact O-N 2.94Å
77P67.4Low72.7Confident123 Ų123109.5 Ų109.580%0.79957%0.573SS**PPolyproline II helixtrans-58.6141.5174.925.6-32.5000109.1S79P77-S79 PolarHBondContact O-N 2.57Å
78A67.3Low72.5Confident79 Ų79112.5 Ų112.565%0.65359%0.588SS**PPolyproline II helixtrans-54.5139.2177.300000110K76 V80K76-A78 PolarHBondContact O-N 2.94Å; A78-V80 PolarHBondContact O-N 3.26Å
79S71.1Confident72.3Confident56 Ų56114.9 Ų114.939%0.39260%0.601SS.*PPolyproline II helixtrans-55.7126.2-179.5-178.70000110P77 E81P77-S79 PolarHBondContact O-N 2.57Å; S79-E81 WeakPolarHBondContact OG-CB 3.34Å; S79-E81 WeakPolarHBondContact OG-CG 3.43Å; S79-E81 PolarHBondContact OG-N 3.3Å; S79-E81 PolarHBondContact OG-OE2 3.26Å
80V70.8Confident72Confident95 Ų95110.7 Ų110.758%0.57660%0.596SS**SBendtrans-82.3-6.2178.8-66.70000111.9A78 D82 K83 V84A78-V80 PolarHBondContact O-N 3.26Å; V80-D82 VanDerWaalsContact C-N 3.33Å; V80-D82 PolarHBondContact O-N 3.41Å; V80-K83 PolarHBondContact O-N 3.38Å; V80-V84 VanDerWaalsContact O-CG2 3.26Å; V80-V84 WeakPolarHBondContact O-CG2 3.26Å; V80-V84 PolarHBondContact O-N 3.21Å
81E71.1Confident71.6Confident131 Ų131107.9 Ų107.961%0.61260%0.601SS**Hα-helixtrans-60.4-41.4-174.1-68.1145.3-177.100112S79 V84 K85S79-E81 WeakPolarHBondContact OG-CB 3.34Å; S79-E81 WeakPolarHBondContact OG-CG 3.43Å; S79-E81 PolarHBondContact OG-N 3.3Å; S79-E81 PolarHBondContact OG-OE2 3.26Å; E81-V84 PolarHBondContact O-N 2.89Å; E81-K85 WeakPolarHBondContact O-CG 3.29Å; E81-K85 PolarHBondContact O-N 3.03Å
82D68.8Low70.9Confident98 Ų98110.6 Ų110.652%0.52462%0.618SS.*Hα-helixtrans-70.6-39.3179.1-60.5-33.2000111.1V80 V84 K85 D86V80-D82 VanDerWaalsContact C-N 3.33Å; V80-D82 PolarHBondContact O-N 3.41Å; D82-V84 VanDerWaalsContact C-N 3.32Å; D82-V84 PolarHBondContact O-N 2.94Å; D82-K85 PolarHBondContact O-N 3.37Å; D82-D86 VanDerWaalsContact O-CG 3.23Å; D82-D86 PolarHBondContact O-N 2.9Å
83K70.4Confident70.2Confident132 Ų132114.1 Ų114.157%0.57464%0.641SS**Hα-helixtrans-66.5-34.1175.4-64.3-178.6-179.6178.50112.6V80 Q87V80-K83 PolarHBondContact O-N 3.38Å; K83-Q87 WeakPolarHBondContact O-CB 3.25Å; K83-Q87 VanDerWaalsContact O-CG 3.25Å; K83-Q87 WeakPolarHBondContact O-CG 3.37Å; K83-Q87 PolarHBondContact O-N 2.98Å
84V73.8Confident69.4Low69 Ų69115.9 Ų115.942%0.41864%0.639SS.*Hα-helixtrans-70.1-39.7176.3170.20000110.2V80 E81 D82 Q87 L88V80-V84 VanDerWaalsContact O-CG2 3.26Å; V80-V84 WeakPolarHBondContact O-CG2 3.26Å; V80-V84 PolarHBondContact O-N 3.21Å; E81-V84 PolarHBondContact O-N 2.89Å; D82-V84 VanDerWaalsContact C-N 3.32Å; D82-V84 PolarHBondContact O-N 2.94Å; V84-Q87 PolarHBondContact O-N 3.09Å; V84-L88 HydrophobicContact CG1-CD1 3.67Å; V84-L88 VanDerWaalsContact O-CD1 3.29Å; V84-L88 WeakPolarHBondContact O-CD1 3.49Å; V84-L88 PolarHBondContact O-N 3.3Å
85K76Confident68.8Low134 Ų134113.6 Ų113.658%0.58364%0.643SS**Hα-helixtrans-62.4-47.7173.4-75.1173.5-178172.30111.8E81 D82 Q87 L88 E89E81-K85 WeakPolarHBondContact O-CG 3.29Å; E81-K85 PolarHBondContact O-N 3.03Å; D82-K85 PolarHBondContact O-N 3.37Å; K85-Q87 PolarHBondContact O-N 2.91Å; K85-L88 PolarHBondContact O-N 3.36Å; K85-L88 VanDerWaalsContact O-N 3.09Å; K85-E89 WeakPolarHBondContact O-CB 3.41Å; K85-E89 PolarHBondContact O-N 3.4Å
86D73.2Confident68.2Low105 Ų105115 Ų11556%0.56164%0.636SS**Hα-helixtrans-59.4-38.1177.4-66.5-14.7000111.5D82 A90D82-D86 VanDerWaalsContact O-CG 3.23Å; D82-D86 PolarHBondContact O-N 2.9Å; D86-A90 VanDerWaalsContact O-CB 3.24Å; D86-A90 WeakPolarHBondContact O-CB 3.24Å; D86-A90 PolarHBondContact O-N 3.05Å
87Q72.6Confident67.6Low139 Ų139112.2 Ų112.265%0.6563%0.629SS**Hα-helixtrans-71.1-35.9175.6-75.8177.95.500113.2K83 V84 K85 A91K83-Q87 WeakPolarHBondContact O-CB 3.25Å; K83-Q87 VanDerWaalsContact O-CG 3.25Å; K83-Q87 WeakPolarHBondContact O-CG 3.37Å; K83-Q87 PolarHBondContact O-N 2.98Å; V84-Q87 PolarHBondContact O-N 3.09Å; K85-Q87 PolarHBondContact O-N 2.91Å; Q87-A91 WeakPolarHBondContact O-CB 3.42Å; Q87-A91 PolarHBondContact O-N 3.32Å
88L70.7Confident67.4Low112 Ų112115.2 Ų115.259%0.58663%0.632SS**Hα-helixtrans-69.1-38.6175.3-102.6109.5000111.9V84 K85 A91 N92V84-L88 HydrophobicContact CG1-CD1 3.67Å; V84-L88 VanDerWaalsContact O-CD1 3.29Å; V84-L88 WeakPolarHBondContact O-CD1 3.49Å; V84-L88 PolarHBondContact O-N 3.3Å; K85-L88 PolarHBondContact O-N 3.36Å; K85-L88 VanDerWaalsContact O-N 3.09Å; L88-A91 PolarHBondContact O-N 3.26Å; L88-N92 PolarHBondContact O-N 3.28Å
89E69Low67Low146 Ų146120.2 Ų120.268%0.68264%0.642SS**Hα-helixtrans-70.1-41177.2-166.1166.8-164.900111K85 A91 N92K85-E89 WeakPolarHBondContact O-CB 3.41Å; K85-E89 PolarHBondContact O-N 3.4Å; E89-A91 PolarHBondContact O-N 3.14Å; E89-N92 PolarHBondContact O-N 3.18Å
90A68.3Low66.5Low87 Ų87122.8 Ų122.872%0.71966%0.655SS**Hα-helixtrans-66.8-21.8171.500000113.8D86D86-A90 VanDerWaalsContact O-CB 3.24Å; D86-A90 WeakPolarHBondContact O-CB 3.24Å; D86-A90 PolarHBondContact O-N 3.05Å
91A64.3Low66.2Low70 Ų70122.6 Ų122.658%0.57965%0.651SS**THydrogen-bonded Turntrans-88.1-3.6175.800000113.6Q87 L88 E89 P93Q87-A91 WeakPolarHBondContact O-CB 3.42Å; Q87-A91 PolarHBondContact O-N 3.32Å; L88-A91 PolarHBondContact O-N 3.26Å; E89-A91 PolarHBondContact O-N 3.14Å; A91-P93 VanDerWaalsContact C-CD 3.46Å; A91-P93 WeakPolarHBondContact O-CD 3.19Å
92N62.8Low65.5Low122 Ų122123.2 Ų123.265%0.65266%0.658SS**SBendtrans-94.288.9167-76.5-31.7000108.5L88 E89 E94L88-N92 PolarHBondContact O-N 3.28Å; E89-N92 PolarHBondContact O-N 3.18Å; N92-E94 PolarHBondContact O-N 3Å; N92-E94 VanDerWaalsContact O-N 3.14Å
93P61.8Low65.1Low112 Ų112121.8 Ų121.873%0.72766%0.659SS**  trans-63.1120.2171.728-34000108.2A91 P95A91-P93 VanDerWaalsContact C-CD 3.46Å; A91-P93 WeakPolarHBondContact O-CD 3.19Å; P93-P95 WeakPolarHBondContact O-CD 2.96Å
94E62.6Low64.8Low151 Ų151119.7 Ų119.771%0.70665%0.654SS**  trans-53.6126.4161.5-65.6-175.7161.100107.2N92 I96N92-E94 PolarHBondContact O-N 3Å; N92-E94 VanDerWaalsContact O-N 3.14Å; E94-I96 HydrophobicContact CB-CD1 4.07Å; E94-I96 HydrophobicContact CB-CG1 4.03Å; E94-I96 PolarHBondContact O-N 2.72Å; E94-I96 WeakPolarHBondContact OE2-CD1 3.48Å
95P59.1Low64.3Low133 Ų133123 Ų12386%0.86467%0.669SS**  trans-73.670.7178.930.4-34.1000109.3P93 I97P93-P95 WeakPolarHBondContact O-CD 2.96Å; P95-I97 PolarHBondContact O-N 3.4Å
96I58.8Low64Low126 Ų126119 Ų11965%0.64666%0.661SS**  trans-9486.3170-57.2170.4000105.7E94E94-I96 HydrophobicContact CB-CD1 4.07Å; E94-I96 HydrophobicContact CB-CG1 4.03Å; E94-I96 PolarHBondContact O-N 2.72Å; E94-I96 WeakPolarHBondContact OE2-CD1 3.48Å
97I59.1Low64.4Low137 Ų137120.6 Ų120.670%0.70368%0.677SS**SBendtrans165.4111137.5-79149.6000105.1P95 E99 V100P95-I97 PolarHBondContact O-N 3.4Å; I97-E99 PolarHBondContact O-N 2.99Å; I97-E99 VanDerWaalsContact O-N 3.13Å; I97-V100 HydrophobicContact CG2-CG2 4.38Å
98E63.5Low64.7Low185 Ų185118.8 Ų118.886%0.86466%0.664SS**  trans-39.9118.5161.2-66.2171.3158.200108.7V100E98-V100 PolarHBondContact O-N 3.13Å
99E60.3Low65.4Low185 Ų185121 Ų12186%0.86467%0.669SS**  trans-35.3111.8176.6-66.1168156.400110I97 D101I97-E99 PolarHBondContact O-N 2.99Å; I97-E99 VanDerWaalsContact O-N 3.13Å; E99-D101 VanDerWaalsContact C-N 3.35Å; E99-D101 PolarHBondContact O-N 3Å
100V60.5Low66.2Low109 Ų109120 Ų12066%0.66168%0.676SS**  trans-60.7104.8172.8179.20000106.1I97 E98 L102I97-V100 HydrophobicContact CG2-CG2 4.38Å; E98-V100 PolarHBondContact O-N 3.13Å; V100-L102 PolarHBondContact O-N 3.38Å
101D63.4Low67.1Low92 Ų92119.9 Ų119.949%0.49266%0.663SS.*  trans-54.3101.8-176.218011.4000110E99 A103 N104E99-D101 VanDerWaalsContact C-N 3.35Å; E99-D101 PolarHBondContact O-N 3Å; D101-A103 PolarHBondContact O-N 2.87Å; D101-A103 WeakPolarHBondContact OD1-CB 3.44Å; D101-A103 PolarHBondContact OD1-N 2.84Å; D101-N104 WeakPolarHBondContact O-CB 3.39Å; D101-N104 PolarHBondContact O-N 3.47Å; D101-N104 PolarHBondContact OD2-ND2 3.04Å
102L57.3Low68.4Low144 Ų144121.4 Ų121.475%0.75465%0.653SS**THydrogen-bonded Turntrans-59.7-18.2-174.6-72.1139.5000112.2V100 N104 L105V100-L102 PolarHBondContact O-N 3.38Å; L102-N104 VanDerWaalsContact C-N 3.28Å; L102-N104 PolarHBondContact O-N 2.89Å; L102-L105 PolarHBondContact O-N 2.67Å
103A60.1Low69.6Low68 Ų68119.5 Ų119.556%0.56264%0.643SS**THydrogen-bonded Turntrans-68.7-25.1172.800000113D101D101-A103 PolarHBondContact O-N 2.87Å; D101-A103 WeakPolarHBondContact OD1-CB 3.44Å; D101-A103 PolarHBondContact OD1-N 2.84Å
104N63Low71Confident88 Ų88119.5 Ų119.547%0.47164%0.636SS.*THydrogen-bonded Turntrans-83.3-17.7176.7-68-50.4000113.5D101 L102 R108D101-N104 WeakPolarHBondContact O-CB 3.39Å; D101-N104 PolarHBondContact O-N 3.47Å; D101-N104 PolarHBondContact OD2-ND2 3.04Å; L102-N104 VanDerWaalsContact C-N 3.28Å; L102-N104 PolarHBondContact O-N 2.89Å; N104-R108 PolarHBondContact OD1-NH2 3.36Å
105L63.8Low72.3Confident138 Ų138118.6 Ų118.672%0.72363%0.63SS**THydrogen-bonded Turntrans-89.9-15.7-179.5-164.466000113L102L102-L105 PolarHBondContact O-N 2.67Å
106A69.8Low73.9Confident50 Ų50118.7 Ų118.741%0.41361%0.614SS.*SBendtrans-64.8151.4177.300000112.1R108A106-R108 PolarHBondContact O-N 2.95Å
107P81.6Confident75.3Confident138 Ų138116.7 Ų116.790%0.89660%0.604SS**  trans-58.5108.9174.9-20.231.3000110.3
108R79.6Confident77Confident101 Ų101112.7 Ų112.738%0.38159%0.586SS.*  trans-74.5162.3178.1-62.6-113.2-157.4167.5-4.3110.1N104 A106 W112N104-R108 PolarHBondContact OD1-NH2 3.36Å; A106-R108 PolarHBondContact O-N 2.95Å; R108-W112 HydrophobicContact CB-CB 4.1Å; R108-W112 HydrophobicContact CB-CD2 3.82Å; R108-W112 HydrophobicContact CB-CE3 3.24Å; R108-W112 HydrophobicContact CB-CG 4.17Å; R108-W112 HydrophobicContact CB-CZ3 3.89Å; R108-W112 HydrophobicContact CG-CD2 3.87Å; R108-W112 HydrophobicContact CG-CE3 3.23Å; R108-W112 HydrophobicContact CG-CH2 4.15Å; R108-W112 HydrophobicContact CG-CZ3 3.35Å; R108-W112 VanDerWaalsContact CZ-CE2 3.41Å; R108-W112 VanDerWaalsContact NE-CZ2 3.34Å
109K84.3Confident78.5Confident159 Ų159106.3 Ų106.369%0.69157%0.565SS**  trans-56.6140.5174.1-65.6-176.3179.9-178.80109.6D111 W112K109-D111 PolarHBondContact O-N 2.69Å; K109-D111 VanDerWaalsContact O-N 3.07Å; K109-W112 WeakPolarHBondContact O-CB 3.46Å; K109-W112 PolarHBondContact O-N 3.27Å
110P85.6Confident80.1Confident126 Ų126104.4 Ų104.482%0.81855%0.554SS**THydrogen-bonded Turntrans-52.3-33.5178.4-28.234.8000113.8W112P110-W112 VanDerWaalsContact C-N 3.3Å; P110-W112 PolarHBondContact O-N 3.01Å
111D88.3Confident81.8Confident84 Ų84106.7 Ų106.745%0.44956%0.555SS.*THydrogen-bonded Turntrans-83.2-0.3-180-47.5-43.2000114.2K109 D113 L114 K115K109-D111 PolarHBondContact O-N 2.69Å; K109-D111 VanDerWaalsContact O-N 3.07Å; D111-D113 VanDerWaalsContact C-N 3.33Å; D111-D113 PolarHBondContact O-N 3.46Å; D111-L114 PolarHBondContact O-N 2.88Å; D111-K115 WeakPolarHBondContact O-CB 3.13Å; D111-K115 VanDerWaalsContact O-CG 3.32Å; D111-K115 WeakPolarHBondContact O-CG 3.44Å; D111-K115 PolarHBondContact O-N 2.92Å
112W90.3Very high83.3Confident101 Ų101107 Ų10738%0.38356%0.556SS.*Hα-helixtrans-62.9-42.6-173.6171.946000111.9R108 K109 P110 K115 R116R108-W112 HydrophobicContact CB-CB 4.1Å; R108-W112 HydrophobicContact CB-CD2 3.82Å; R108-W112 HydrophobicContact CB-CE3 3.24Å; R108-W112 HydrophobicContact CB-CG 4.17Å; R108-W112 HydrophobicContact CB-CZ3 3.89Å; R108-W112 HydrophobicContact CG-CD2 3.87Å; R108-W112 HydrophobicContact CG-CE3 3.23Å; R108-W112 HydrophobicContact CG-CH2 4.15Å; R108-W112 HydrophobicContact CG-CZ3 3.35Å; R108-W112 VanDerWaalsContact CZ-CE2 3.41Å; R108-W112 VanDerWaalsContact NE-CZ2 3.34Å; K109-W112 WeakPolarHBondContact O-CB 3.46Å; K109-W112 PolarHBondContact O-N 3.27Å; P110-W112 VanDerWaalsContact C-N 3.3Å; P110-W112 PolarHBondContact O-N 3.01Å; W112-K115 PolarHBondContact O-N 3.29Å; W112-R116 PolarHBondContact O-N 2.96Å
113D88.6Confident85.1Confident82 Ų82104.3 Ų104.344%0.43954%0.539SS..Hα-helixtrans-65.8-44.5178-163.746.6000111D111 K115 R116 D117D111-D113 VanDerWaalsContact C-N 3.33Å; D111-D113 PolarHBondContact O-N 3.46Å; D113-K115 VanDerWaalsContact C-N 3.33Å; D113-K115 PolarHBondContact O-N 3.5Å; D113-R116 PolarHBondContact O-N 3.03Å; D113-R116 IonicContact OD1-CZ 3.22Å; D113-R116 IonicContact OD1-NE 3.91Å; D113-R116 IonicContact OD1-NH1 3.67Å; D113-R116 IonicContact OD1-NH2 2.67Å; D113-R116 PolarHBondContact OD1-NH2 3.18Å; D113-D117 PolarHBondContact O-N 3.39Å
114L90.7Very high86.8Confident112 Ų112107.1 Ų107.159%0.58654%0.539SS*.Hα-helixtrans-57.9-45.2175.5-176.664.4000111.7D111 D117 V118D111-L114 PolarHBondContact O-N 2.88Å; L114-D117 PolarHBondContact O-N 2.99Å; L114-V118 HydrophobicContact CD1-CG2 3.93Å; L114-V118 HydrophobicContact CG-CG2 4.4Å; L114-V118 VanDerWaalsContact O-CB 3.23Å; L114-V118 WeakPolarHBondContact O-CB 3.23Å; L114-V118 WeakPolarHBondContact O-CG2 3.16Å; L114-V118 PolarHBondContact O-N 3.36Å
115K90.1Very high88.5Confident133 Ų133107.6 Ų107.658%0.57854%0.541SS*.Hα-helixtrans-64-42.1178.1-74177.2-176.3-177.90111.8D111 W112 D113 A119D111-K115 WeakPolarHBondContact O-CB 3.13Å; D111-K115 VanDerWaalsContact O-CG 3.32Å; D111-K115 WeakPolarHBondContact O-CG 3.44Å; D111-K115 PolarHBondContact O-N 2.92Å; W112-K115 PolarHBondContact O-N 3.29Å; D113-K115 VanDerWaalsContact C-N 3.33Å; D113-K115 PolarHBondContact O-N 3.5Å; K115-A119 WeakPolarHBondContact O-CB 3.16Å; K115-A119 PolarHBondContact O-N 3.35Å
116R92.2Very high90Very high135 Ų135106.2 Ų106.251%0.50953%0.531SS..Hα-helixtrans-62.9-47.7178.8-172.7-165.267.7-160.9-8111.3W112 D113 A119W112-R116 PolarHBondContact O-N 2.96Å; D113-R116 PolarHBondContact O-N 3.03Å; D113-R116 IonicContact OD1-CZ 3.22Å; D113-R116 IonicContact OD1-NE 3.91Å; D113-R116 IonicContact OD1-NH1 3.67Å; D113-R116 IonicContact OD1-NH2 2.67Å; D113-R116 PolarHBondContact OD1-NH2 3.18Å; R116-A119 PolarHBondContact O-N 3.44Å
117D90.1Very high91.3Very high83 Ų83110.6 Ų110.644%0.44454%0.537SS..Hα-helixtrans-73.3-30.8-174.7-71.54.2000112.3D113 L114D113-D117 PolarHBondContact O-N 3.39Å; L114-D117 PolarHBondContact O-N 2.99Å
118V94.8Very high92.1Very high54 Ų54112.1 Ų112.133%0.32752%0.524SS..Hα-helixtrans-82.9-28.8176.5177.20000112.2L114 K120 K121 L122L114-V118 HydrophobicContact CD1-CG2 3.93Å; L114-V118 HydrophobicContact CG-CG2 4.4Å; L114-V118 VanDerWaalsContact O-CB 3.23Å; L114-V118 WeakPolarHBondContact O-CB 3.23Å; L114-V118 WeakPolarHBondContact O-CG2 3.16Å; L114-V118 PolarHBondContact O-N 3.36Å; V118-K120 PolarHBondContact O-N 2.89Å; V118-K121 WeakPolarHBondContact O-CB 3.32Å; V118-K121 PolarHBondContact O-N 3.42Å; V118-L122 HydrophobicContact CG1-CD1 3.73Å; V118-L122 HydrophobicContact CG1-CG 3.78Å; V118-L122 PolarHBondContact O-N 2.9Å
119A94.3Very high92.9Very high51 Ų51110.4 Ų110.442%0.42153%0.526SS..Hα-helixtrans-54.6-46.6-177.700000112.9K115 R116 K121 L122 E123K115-A119 WeakPolarHBondContact O-CB 3.16Å; K115-A119 PolarHBondContact O-N 3.35Å; R116-A119 PolarHBondContact O-N 3.44Å; A119-K121 PolarHBondContact O-N 3.07Å; A119-L122 PolarHBondContact O-N 2.68Å; A119-E123 WeakPolarHBondContact O-CB 3.43Å; A119-E123 PolarHBondContact O-N 3.36Å
120K94.3Very high93.5Very high145 Ų145108 Ų10863%0.6352%0.517SS*.Hα-helixtrans-64.2-29.2179.3-172.4172.8-175.9173.80113.1V118 K124V118-K120 PolarHBondContact O-N 2.89Å; K120-K124 WeakPolarHBondContact O-CG 3.34Å
121K95.2Very high94Very high157 Ų157110 Ų11068%0.68351%0.508SS*.Hα-helixtrans-77.3-43.3176-64.2179.1-177172.70110.6V118 A119 K124 L125V118-K121 WeakPolarHBondContact O-CB 3.32Å; V118-K121 PolarHBondContact O-N 3.42Å; A119-K121 PolarHBondContact O-N 3.07Å; K121-K124 PolarHBondContact O-N 3.47Å; K121-L125 PolarHBondContact O-N 2.86Å
122L95.9Very high94.5Very high98 Ų98108.1 Ų108.151%0.51350%0.504SS..Hα-helixtrans-61.6-43.7175.6-73.8175.5000111.6V118 A119 K124 L125 E126V118-L122 HydrophobicContact CG1-CD1 3.73Å; V118-L122 HydrophobicContact CG1-CG 3.78Å; V118-L122 PolarHBondContact O-N 2.9Å; A119-L122 PolarHBondContact O-N 2.68Å; L122-K124 VanDerWaalsContact C-N 3.33Å; L122-K124 PolarHBondContact O-N 3.1Å; L122-L125 CarbonylContact O-C 3.56Å; L122-L125 PolarHBondContact O-N 2.74Å; L122-L125 VanDerWaalsContact O-N 3.1Å; L122-E126 VanDerWaalsContact O-CB 3.26Å; L122-E126 WeakPolarHBondContact O-CB 3.47Å; L122-E126 PolarHBondContact O-N 3.37Å
123E95.6Very high94.8Very high88 Ų88107.4 Ų107.441%0.41151%0.507SS..Hα-helixtrans-58.7-44.4177.8-172.4-166.5176.300111.8A119 L125 E126 R127A119-E123 WeakPolarHBondContact O-CB 3.43Å; A119-E123 PolarHBondContact O-N 3.36Å; E123-L125 VanDerWaalsContact C-N 3.33Å; E123-L125 PolarHBondContact O-N 3.38Å; E123-E126 PolarHBondContact O-N 3.01Å; E123-R127 WeakPolarHBondContact O-CG 3.26Å; E123-R127 PolarHBondContact O-N 3.47Å; E123-R127 IonicContact OE1-CZ 3.39Å; E123-R127 IonicContact OE1-NE 3.53Å; E123-R127 IonicContact OE1-NH2 2.68Å; E123-R127 PolarHBondContact OE1-NH2 3.23Å
124K95.8Very high95.1Very high126 Ų126105.1 Ų105.155%0.54850%0.5SS..Hα-helixtrans-63.2-40.6176-73.6179.9180-174.50112.1K120 K121 L122 R128K120-K124 WeakPolarHBondContact O-CG 3.34Å; K121-K124 PolarHBondContact O-N 3.47Å; L122-K124 VanDerWaalsContact C-N 3.33Å; L122-K124 PolarHBondContact O-N 3.1Å; K124-R128 WeakPolarHBondContact O-CG 3.31Å; K124-R128 PolarHBondContact O-N 3.04Å
125L96.8Very high95.4Very high99 Ų99104.9 Ų104.952%0.51850%0.495SS..Hα-helixtrans-67.7-47.9178.4-175.363.8000110.4K121 L122 E123 R127 R128 T129K121-L125 PolarHBondContact O-N 2.86Å; L122-L125 CarbonylContact O-C 3.56Å; L122-L125 PolarHBondContact O-N 2.74Å; L122-L125 VanDerWaalsContact O-N 3.1Å; E123-L125 VanDerWaalsContact C-N 3.33Å; E123-L125 PolarHBondContact O-N 3.38Å; L125-R127 VanDerWaalsContact C-N 3.33Å; L125-R127 PolarHBondContact O-N 3.29Å; L125-R128 CarbonylContact O-C 3.38Å; L125-R128 WeakPolarHBondContact O-CA 3.49Å; L125-R128 WeakPolarHBondContact O-CB 3.49Å; L125-R128 PolarHBondContact O-N 3.42Å; L125-T129 PolarHBondContact O-N 2.79Å; L125-T129 PolarHBondContact O-OG1 3.31Å
126E96.3Very high95.6Very high109 Ų109104.2 Ų104.251%0.50950%0.497SS..Hα-helixtrans-56.1-45.1178.1-175.1178.1-174.200111.6L122 E123 R128 T129 Q130L122-E126 VanDerWaalsContact O-CB 3.26Å; L122-E126 WeakPolarHBondContact O-CB 3.47Å; L122-E126 PolarHBondContact O-N 3.37Å; E123-E126 PolarHBondContact O-N 3.01Å; E126-R128 VanDerWaalsContact C-N 3.27Å; E126-R128 PolarHBondContact O-N 3.21Å; E126-T129 PolarHBondContact O-N 3.23Å; E126-Q130 HydrophobicContact CG-CG 4.43Å; E126-Q130 WeakPolarHBondContact O-CB 3.4Å; E126-Q130 VanDerWaalsContact O-CG 3.31Å; E126-Q130 WeakPolarHBondContact O-CG 3.48Å; E126-Q130 PolarHBondContact O-N 2.96Å; E126-Q130 PolarHBondContact OE1-NE2 2.88Å
127R97.2Very high95.7Very high141 Ų141102.2 Ų102.253%0.53250%0.496SS..Hα-helixtrans-59.4-36.6174.2-72.6178.7-174.6-162.43.5113E123 L125 R131E123-R127 WeakPolarHBondContact O-CG 3.26Å; E123-R127 PolarHBondContact O-N 3.47Å; E123-R127 IonicContact OE1-CZ 3.39Å; E123-R127 IonicContact OE1-NE 3.53Å; E123-R127 IonicContact OE1-NH2 2.68Å; E123-R127 PolarHBondContact OE1-NH2 3.23Å; L125-R127 VanDerWaalsContact C-N 3.33Å; L125-R127 PolarHBondContact O-N 3.29Å; R127-R131 VanDerWaalsContact O-CG 3.26Å; R127-R131 WeakPolarHBondContact O-CG 3.26Å; R127-R131 PolarHBondContact O-N 3.36Å
128R97.3Very high95.9Very high170 Ų170105.6 Ų105.664%0.64250%0.503SS*.Hα-helixtrans-74.3-41.1176.4-68.8172.7179.9171.9-2.5111.2K124 L125 E126 R131 A132K124-R128 WeakPolarHBondContact O-CG 3.31Å; K124-R128 PolarHBondContact O-N 3.04Å; L125-R128 CarbonylContact O-C 3.38Å; L125-R128 WeakPolarHBondContact O-CA 3.49Å; L125-R128 WeakPolarHBondContact O-CB 3.49Å; L125-R128 PolarHBondContact O-N 3.42Å; E126-R128 VanDerWaalsContact C-N 3.27Å; E126-R128 PolarHBondContact O-N 3.21Å; R128-R131 WeakPolarHBondContact O-CB 3.41Å; R128-R131 PolarHBondContact O-N 3.21Å; R128-A132 WeakPolarHBondContact O-CB 3.44Å; R128-A132 PolarHBondContact O-N 2.98Å
129T97.3Very high95.8Very high66 Ų66107.7 Ų107.741%0.40551%0.512SS..Hα-helixtrans-61.7-45.5176.3-53.70000110.7L125 E126 R131 A132 I133L125-T129 PolarHBondContact O-N 2.79Å; L125-T129 PolarHBondContact O-OG1 3.31Å; E126-T129 PolarHBondContact O-N 3.23Å; T129-R131 VanDerWaalsContact C-N 3.33Å; T129-R131 PolarHBondContact O-N 3.42Å; T129-A132 PolarHBondContact O-N 2.8Å; T129-I133 HydrophobicContact CG2-CD1 3.85Å; T129-I133 HydrophobicContact CG2-CG1 4.41Å; T129-I133 WeakPolarHBondContact O-CB 3.38Å; T129-I133 WeakPolarHBondContact O-CG1 3.44Å; T129-I133 PolarHBondContact O-N 3.35Å
130Q97.2Very high95.6Very high109 Ų109115 Ų11551%0.50953%0.529SS..Hα-helixtrans-61.4-39.3175-73175.4-2.700112.1E126 I133 A134E126-Q130 HydrophobicContact CG-CG 4.43Å; E126-Q130 WeakPolarHBondContact O-CB 3.4Å; E126-Q130 VanDerWaalsContact O-CG 3.31Å; E126-Q130 WeakPolarHBondContact O-CG 3.48Å; E126-Q130 PolarHBondContact O-N 2.96Å; E126-Q130 PolarHBondContact OE1-NE2 2.88Å; Q130-I133 PolarHBondContact O-N 2.88Å; Q130-A134 WeakPolarHBondContact O-CB 3.29Å; Q130-A134 PolarHBondContact O-N 3.33Å
131R96.8Very high95.3Very high167 Ų167112.8 Ų112.863%0.6352%0.523SS*.Hα-helixtrans-64.1-47.2173.8-75.3172-175.6177.3-0.9112.3R127 R128 T129 I133 A134 E135R127-R131 VanDerWaalsContact O-CG 3.26Å; R127-R131 WeakPolarHBondContact O-CG 3.26Å; R127-R131 PolarHBondContact O-N 3.36Å; R128-R131 WeakPolarHBondContact O-CB 3.41Å; R128-R131 PolarHBondContact O-N 3.21Å; T129-R131 VanDerWaalsContact C-N 3.33Å; T129-R131 PolarHBondContact O-N 3.42Å; R131-I133 VanDerWaalsContact C-N 3.33Å; R131-I133 PolarHBondContact O-N 3.44Å; R131-A134 PolarHBondContact O-N 2.88Å; R131-E135 WeakPolarHBondContact O-CG 3.2Å; R131-E135 PolarHBondContact O-N 3.19Å
132A97.4Very high94.8Very high44 Ų44113.7 Ų113.736%0.36452%0.522SS..Hα-helixtrans-62.7-41.2177.100000111.5R128 T129 E135 L136R128-A132 WeakPolarHBondContact O-CB 3.44Å; R128-A132 PolarHBondContact O-N 2.98Å; T129-A132 PolarHBondContact O-N 2.8Å; A132-E135 PolarHBondContact O-N 2.88Å; A132-L136 WeakPolarHBondContact O-CB 3.34Å; A132-L136 VanDerWaalsContact O-CG 3.29Å; A132-L136 WeakPolarHBondContact O-CG 3.43Å; A132-L136 PolarHBondContact O-N 3.5Å
133I96.3Very high94Very high86 Ų86111.4 Ų111.444%0.44152%0.523SS..Hα-helixtrans-60.3-46.5173.2-71.7167.2000110.2T129 Q130 R131 E135 L136 I137T129-I133 HydrophobicContact CG2-CD1 3.85Å; T129-I133 HydrophobicContact CG2-CG1 4.41Å; T129-I133 WeakPolarHBondContact O-CB 3.38Å; T129-I133 WeakPolarHBondContact O-CG1 3.44Å; T129-I133 PolarHBondContact O-N 3.35Å; Q130-I133 PolarHBondContact O-N 2.88Å; R131-I133 VanDerWaalsContact C-N 3.33Å; R131-I133 PolarHBondContact O-N 3.44Å; I133-E135 VanDerWaalsContact C-N 3.33Å; I133-E135 PolarHBondContact O-N 3.48Å; I133-L136 PolarHBondContact O-N 2.81Å; I133-I137 HydrophobicContact CG2-CD1 3.7Å; I133-I137 HydrophobicContact CG2-CG1 4.4Å; I133-I137 WeakPolarHBondContact O-CB 3.47Å; I133-I137 VanDerWaalsContact O-CG1 3.24Å; I133-I137 WeakPolarHBondContact O-CG1 3.24Å; I133-I137 PolarHBondContact O-N 2.88Å
134A96.3Very high93Very high35 Ų35108.3 Ų108.329%0.28951%0.511SS..Hα-helixtrans-63.1-38.7178.500000112.3Q130 R131 I137 R138Q130-A134 WeakPolarHBondContact O-CB 3.29Å; Q130-A134 PolarHBondContact O-N 3.33Å; R131-A134 PolarHBondContact O-N 2.88Å; A134-I137 PolarHBondContact O-N 3.32Å; A134-R138 WeakPolarHBondContact O-CG 3.48Å; A134-R138 PolarHBondContact O-N 2.88Å
135E95.6Very high91.6Very high106 Ų106108.1 Ų108.150%0.49551%0.512SS..Hα-helixtrans-64.8-48.4174.2-75.2168.6-174.800111.6R131 A132 I133 I137 R138 D139R131-E135 WeakPolarHBondContact O-CG 3.2Å; R131-E135 PolarHBondContact O-N 3.19Å; A132-E135 PolarHBondContact O-N 2.88Å; I133-E135 VanDerWaalsContact C-N 3.33Å; I133-E135 PolarHBondContact O-N 3.48Å; E135-I137 VanDerWaalsContact C-N 3.28Å; E135-I137 PolarHBondContact O-N 3.46Å; E135-R138 WeakPolarHBondContact O-CB 3.24Å; E135-R138 PolarHBondContact O-N 3.05Å; E135-D139 PolarHBondContact O-N 3.31Å
136L95.9Very high90.1Very high119 Ų119111.1 Ų111.162%0.62352%0.523SS*.Hα-helixtrans-59.1-38.3175.8-72.8172.6000112.5A132 I133 R140A132-L136 WeakPolarHBondContact O-CB 3.34Å; A132-L136 VanDerWaalsContact O-CG 3.29Å; A132-L136 WeakPolarHBondContact O-CG 3.43Å; A132-L136 PolarHBondContact O-N 3.5Å; I133-L136 PolarHBondContact O-N 2.81Å; L136-R140 VanDerWaalsContact O-CB 3.24Å; L136-R140 WeakPolarHBondContact O-CB 3.39Å; L136-R140 PolarHBondContact O-N 3.5Å
137I94.6Very high88.8Confident93 Ų93113 Ų11348%0.47753%0.532SS..Hα-helixtrans-66-42.8174.8-69.8167.4000110.6I133 A134 E135 R140 L141I133-I137 HydrophobicContact CG2-CD1 3.7Å; I133-I137 HydrophobicContact CG2-CG1 4.4Å; I133-I137 WeakPolarHBondContact O-CB 3.47Å; I133-I137 VanDerWaalsContact O-CG1 3.24Å; I133-I137 WeakPolarHBondContact O-CG1 3.24Å; I133-I137 PolarHBondContact O-N 2.88Å; A134-I137 PolarHBondContact O-N 3.32Å; E135-I137 VanDerWaalsContact C-N 3.28Å; E135-I137 PolarHBondContact O-N 3.46Å; I137-R140 PolarHBondContact O-N 2.9Å; I137-L141 HydrophobicContact CG2-CD1 3.82Å; I137-L141 HydrophobicContact CG2-CG 4.35Å; I137-L141 WeakPolarHBondContact O-CB 3.41Å; I137-L141 VanDerWaalsContact O-CG 3.32Å; I137-L141 WeakPolarHBondContact O-CG 3.33Å; I137-L141 PolarHBondContact O-N 2.94Å
138R92.9Very high87.4Confident155 Ų155110.6 Ų110.659%0.58553%0.529SS*.Hα-helixtrans-63-44.5176.5-74.8-175.3-146124.72.5112.2A134 E135 R140 L141 R142A134-R138 WeakPolarHBondContact O-CG 3.48Å; A134-R138 PolarHBondContact O-N 2.88Å; E135-R138 WeakPolarHBondContact O-CB 3.24Å; E135-R138 PolarHBondContact O-N 3.05Å; R138-R140 VanDerWaalsContact C-N 3.35Å; R138-L141 PolarHBondContact O-N 3.01Å; R138-R142 WeakPolarHBondContact O-CB 3.34Å; R138-R142 PolarHBondContact O-N 2.84Å
139D92.1Very high86.1Confident97 Ų97105.5 Ų105.552%0.51952%0.523SS..Hα-helixtrans-65.9-41.2179.3-70.4-18000111.1E135 R142 G143E135-D139 PolarHBondContact O-N 3.31Å; D139-R142 PolarHBondContact O-N 3.4Å; D139-G143 PolarHBondContact O-N 3.16Å
140R90.8Very high84.7Confident206 Ų206105.4 Ų105.478%0.77753%0.529SS*.Hα-helixtrans-62.6-44.9173.6-172.2175.2-175.3179.20.7111.5L136 I137 R138 G143 S144L136-R140 VanDerWaalsContact O-CB 3.24Å; L136-R140 WeakPolarHBondContact O-CB 3.39Å; L136-R140 PolarHBondContact O-N 3.5Å; I137-R140 PolarHBondContact O-N 2.9Å; R138-R140 VanDerWaalsContact C-N 3.35Å; R140-G143 PolarHBondContact O-N 3.44Å; R140-S144 WeakPolarHBondContact O-CB 3.43Å; R140-S144 PolarHBondContact O-N 2.93Å; R140-S144 PolarHBondContact O-OG 2.79Å
141L87.8Confident83.5Confident98 Ų98103 Ų10351%0.51353%0.527SS..Hα-helixtrans-62.5-43.5178-80.2169.5000111.7I137 R138 S144 E145I137-L141 HydrophobicContact CG2-CD1 3.82Å; I137-L141 HydrophobicContact CG2-CG 4.35Å; I137-L141 WeakPolarHBondContact O-CB 3.41Å; I137-L141 VanDerWaalsContact O-CG 3.32Å; I137-L141 WeakPolarHBondContact O-CG 3.33Å; I137-L141 PolarHBondContact O-N 2.94Å; R138-L141 PolarHBondContact O-N 3.01Å; L141-S144 WeakPolarHBondContact CA-OG 3.34Å; L141-S144 CarbonylContact O-C 3.58Å; L141-S144 PolarHBondContact O-N 3.34Å; L141-S144 PolarHBondContact O-OG 2.97Å; L141-E145 WeakPolarHBondContact O-CA 3.32Å; L141-E145 WeakPolarHBondContact O-CB 3.32Å; L141-E145 PolarHBondContact O-N 2.84Å
142R84.9Confident82.3Confident175 Ų175100 Ų10066%0.6653%0.528SS*.Hα-helixtrans-63.8-43.7176-173.6-174.3-69.3170-3.7112R138 D139 S144 E145R138-R142 WeakPolarHBondContact O-CB 3.34Å; R138-R142 PolarHBondContact O-N 2.84Å; D139-R142 PolarHBondContact O-N 3.4Å; R142-S144 VanDerWaalsContact C-N 3.32Å; R142-E145 VanDerWaalsContact O-CB 3.27Å; R142-E145 WeakPolarHBondContact O-CB 3.14Å; R142-E145 PolarHBondContact O-N 2.91Å; R142-E145 VanDerWaalsContact O-N 3.16Å
143G79.7Confident80.9Confident51 Ų5199.9 Ų99.953%0.52653%0.53SS..Hα-helixtrans-67.3-33.6176.100000112.8D139 R140 E145D139-G143 PolarHBondContact O-N 3.16Å; R140-G143 PolarHBondContact O-N 3.44Å; G143-E145 VanDerWaalsContact C-N 3.34Å
144S73.6Confident79.4Confident23 Ų2398.6 Ų98.616%0.16153%0.533CS..THydrogen-bonded Turntrans-84.4-4.1171.966.80000113.3R140 L141 R142 E146 E147 L148R140-S144 WeakPolarHBondContact O-CB 3.43Å; R140-S144 PolarHBondContact O-N 2.93Å; R140-S144 PolarHBondContact O-OG 2.79Å; L141-S144 WeakPolarHBondContact CA-OG 3.34Å; L141-S144 CarbonylContact O-C 3.58Å; L141-S144 PolarHBondContact O-N 3.34Å; L141-S144 PolarHBondContact O-OG 2.97Å; R142-S144 VanDerWaalsContact C-N 3.32Å; S144-E146 VanDerWaalsContact C-N 3.31Å; S144-E146 PolarHBondContact O-N 3.28Å; S144-E147 PolarHBondContact O-N 2.71Å; S144-L148 WeakPolarHBondContact O-CA 3.27Å; S144-L148 WeakPolarHBondContact O-CB 3.16Å; S144-L148 WeakPolarHBondContact O-CG 3.15Å; S144-L148 PolarHBondContact O-N 3.5Å
145E67.7Low77.8Confident122 Ų12299.9 Ų99.957%0.5754%0.544SS*.Hα-helixtrans-69.4-35.8-175.4-162.4170.4-173.100110L141 R142 G143 A149L141-E145 WeakPolarHBondContact O-CA 3.32Å; L141-E145 WeakPolarHBondContact O-CB 3.32Å; L141-E145 PolarHBondContact O-N 2.84Å; R142-E145 VanDerWaalsContact O-CB 3.27Å; R142-E145 WeakPolarHBondContact O-CB 3.14Å; R142-E145 PolarHBondContact O-N 2.91Å; R142-E145 VanDerWaalsContact O-N 3.16Å; G143-E145 VanDerWaalsContact C-N 3.34Å; E145-A149 WeakPolarHBondContact O-CA 3.47Å; E145-A149 WeakPolarHBondContact O-CB 3Å; E145-A149 PolarHBondContact O-N 2.77Å
146E65.4Low76.1Confident162 Ų16297.3 Ų97.376%0.75755%0.545SS*.Hα-helixtrans-66.7-42.1172.2-65.6178.2178.500111.5S144 A150S144-E146 VanDerWaalsContact C-N 3.31Å; S144-E146 PolarHBondContact O-N 3.28Å; E146-A150 WeakPolarHBondContact O-CB 3.22Å; E146-A150 PolarHBondContact O-N 3.36Å
147E69.1Low74.3Confident147 Ų14796.8 Ų96.869%0.68755%0.547SS*.Hα-helixtrans-70.2-39.4177.1-65-179.5172.100112.4S144 A151S144-E147 PolarHBondContact O-N 2.71Å; E147-A151 WeakPolarHBondContact O-CB 3.17Å; E147-A151 PolarHBondContact O-N 2.87Å
148L67.6Low72.5Confident92 Ų92100.6 Ų100.648%0.48256%0.563SS.*Hα-helixtrans-73.7-40.9177.6-73.9170000111.2S144 A150 A151 V152S144-L148 WeakPolarHBondContact O-CA 3.27Å; S144-L148 WeakPolarHBondContact O-CB 3.16Å; S144-L148 WeakPolarHBondContact O-CG 3.15Å; S144-L148 PolarHBondContact O-N 3.5Å; L148-A150 VanDerWaalsContact C-N 3.35Å; L148-A151 PolarHBondContact O-N 2.82Å; L148-V152 VanDerWaalsContact O-CB 3.3Å; L148-V152 WeakPolarHBondContact O-CB 3.27Å; L148-V152 WeakPolarHBondContact O-CG2 3.3Å; L148-V152 PolarHBondContact O-N 2.95Å
149A68.5Low70.7Confident63 Ų63101.7 Ų101.752%0.52157%0.574SS.*Hα-helixtrans-66.1-38.8174.200000111.1E145 G153E145-A149 WeakPolarHBondContact O-CA 3.47Å; E145-A149 WeakPolarHBondContact O-CB 3Å; E145-A149 PolarHBondContact O-N 2.77Å; A149-G153 PolarHBondContact O-N 2.88Å
150A69.3Low69Low64 Ų64100.3 Ų100.353%0.52958%0.583SS.*Hα-helixtrans-65.3-43.2172.100000112.1E146 L148 G153 A154E146-A150 WeakPolarHBondContact O-CB 3.22Å; E146-A150 PolarHBondContact O-N 3.36Å; L148-A150 VanDerWaalsContact C-N 3.35Å; A150-G153 PolarHBondContact O-N 3.01Å; A150-A154 WeakPolarHBondContact O-CB 3.38Å; A150-A154 PolarHBondContact O-N 2.97Å
151A71.3Confident67.2Low57 Ų5798 Ų9847%0.47159%0.586SS.*Hα-helixtrans-67.1-39.5177.800000112.9E147 L148 A155E147-A151 WeakPolarHBondContact O-CB 3.17Å; E147-A151 PolarHBondContact O-N 2.87Å; L148-A151 PolarHBondContact O-N 2.82Å; A151-A155 WeakPolarHBondContact O-CB 3.49Å; A151-A155 PolarHBondContact O-N 2.89Å
152V71.1Confident65.6Low106 Ų10698.5 Ų98.564%0.64260%0.598SS**Hα-helixtrans-71.4-38.2176.2172.40000111.1L148 A155 G156L148-V152 VanDerWaalsContact O-CB 3.3Å; L148-V152 WeakPolarHBondContact O-CB 3.27Å; L148-V152 WeakPolarHBondContact O-CG2 3.3Å; L148-V152 PolarHBondContact O-N 2.95Å; V152-A155 PolarHBondContact O-N 3.3Å; V152-G156 PolarHBondContact O-N 3.47Å
153G68Low63.7Low40 Ų40101.5 Ų101.541%0.41263%0.627SS.*Hα-helixtrans-63.8-40.7172.300000112.8A149 A150 V157A149-G153 PolarHBondContact O-N 2.88Å; A150-G153 PolarHBondContact O-N 3.01Å; G153-V157 VanDerWaalsContact O-CG2 3.27Å; G153-V157 WeakPolarHBondContact O-CG2 3.33Å; G153-V157 PolarHBondContact O-N 3.46Å
154A65.3Low62.9Low60 Ų60104 Ų10450%0.49663%0.632SS.*Hα-helixtrans-67.1-41.8175.200000112.2A150 G156 V157 E158A150-A154 WeakPolarHBondContact O-CB 3.38Å; A150-A154 PolarHBondContact O-N 2.97Å; A154-G156 VanDerWaalsContact C-N 3.34Å; A154-G156 PolarHBondContact O-N 3.38Å; A154-V157 PolarHBondContact O-N 3.33Å; A154-E158 PolarHBondContact O-N 3.46Å
155A62.8Low62.3Low62 Ų62108.3 Ų108.351%0.51266%0.656SS.*Hα-helixtrans-64.7-36.1176.700000112.8A151 V152 V157A151-A155 WeakPolarHBondContact O-CB 3.49Å; A151-A155 PolarHBondContact O-N 2.89Å; V152-A155 PolarHBondContact O-N 3.3Å; A155-V157 VanDerWaalsContact C-N 3.35Å
156G59.5Low62Low51 Ų51107.5 Ų107.553%0.52666%0.661SS.*Hα-helixtrans-75.4-17.3177.800000115.1V152 A154V152-G156 PolarHBondContact O-N 3.47Å; A154-G156 VanDerWaalsContact C-N 3.34Å; A154-G156 PolarHBondContact O-N 3.38Å
157V59.1Low61.9Low109 Ų109104.3 Ų104.366%0.66166%0.656SS**Hα-helixtrans-86.3-32.9177172.80000111.5G153 A154 A155 G160G153-V157 VanDerWaalsContact O-CG2 3.27Å; G153-V157 WeakPolarHBondContact O-CG2 3.33Å; G153-V157 PolarHBondContact O-N 3.46Å; A154-V157 PolarHBondContact O-N 3.33Å; A155-V157 VanDerWaalsContact C-N 3.35Å; V157-G160 PolarHBondContact O-N 3.45Å
158E55.9Low61.4Low173 Ų173101.6 Ų101.681%0.80865%0.654SS**Hα-helixtrans-74.1-25.5178.6-62-126.2150.900113.5A154 G160A154-E158 PolarHBondContact O-N 3.46Å; E158-G160 VanDerWaalsContact C-N 3.29Å; E158-G160 PolarHBondContact O-N 3.46Å
159E55.8Low61Low178 Ų178102.3 Ų102.383%0.83267%0.665SS**THydrogen-bonded Turntrans-79.1-5.9176.3-103.2-178.3166.100114.1
160G55.6Low60.4Low67 Ų67105.1 Ų105.169%0.69168%0.675SS**THydrogen-bonded Turntrans-106-4.9-172.600000117V157 E158V157-G160 PolarHBondContact O-N 3.45Å; E158-G160 VanDerWaalsContact C-N 3.29Å; E158-G160 PolarHBondContact O-N 3.46Å
161D53.4Low59.8Low157 Ų157108.2 Ų108.284%0.8469%0.687SS**SBendtrans-12127.2-170.5-150.124.3000113.7
162S54.7Low58.8Low110 Ų110112.5 Ų112.577%0.76971%0.705SS**  trans-11684.4169.484.20000112.1
163D44.3Very low57.7Low237 Ų237113.1 Ų113.1100%1.26771%0.71SS**  trans-141.20154.9-160.231.8000109.7

Retrieved 163 of 163 residues in 81.8 ms (Link to these results)