A0A096NDH8_PAPAN Loading...

Transcription initiation factor IIE subunit beta

Recruits TFIIH to the initiation complex and stimulates the RNA polymerase II C-terminal domain kinase and DNA-dependent ATPase activities of TFIIH. Both TFIIH and TFIIE are required for promoter clearance by RNA polymerase.

AlphaFold DB (A0A2K5NBF6), UniProt , Accession A0A096NDH8, Species PAPAN (Papio anubis, Olive baboon), Gene GTF2E2, Length 291 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
1M57.9Low79Confident219 Ų219132.7 Ų132.7100%1.07965%0.652SS**  0111.90-77.9-65.1-175.100106.8L6M1-L6 HydrophobicContact CB-CD1 4.26Å
2D71.1Confident79.4Confident112 Ų112134.8 Ų134.860%0.59966%0.655SS**  trans-66.7128.8-171.8-68.8-41.4000111.7S4 L5D2-S4 PolarHBondContact O-N 3.16Å; D2-S4 VanDerWaalsContact O-N 3.13Å; D2-L5 HydrophobicContact CB-CD1 4.35Å; D2-L5 PolarHBondContact O-N 3.11Å; D2-L5 VanDerWaalsContact O-N 3.09Å
3P78.8Confident79.8Confident107 Ų107135 Ų13570%0.69565%0.651SS**Hα-helixtrans-63.7-21.6-175.224.3-33.3000113.1R7P3-R7 PolarHBondContact O-N 2.95Å
4S79.1Confident80.1Confident81 Ų81136.2 Ų136.257%0.56665%0.652SS**Hα-helixtrans-67.3-41.4174.8-163.40000112.3D2 R7 E8D2-S4 PolarHBondContact O-N 3.16Å; D2-S4 VanDerWaalsContact O-N 3.13Å; S4-R7 PolarHBondContact O-N 3.02Å; S4-E8 PolarHBondContact O-N 3.13Å
5L79.6Confident80.2Confident110 Ų110139.7 Ų139.758%0.57666%0.655SS**Hα-helixtrans-70.1-34.1-178.9-74.9172000112.3D2 R7 R9D2-L5 HydrophobicContact CB-CD1 4.35Å; D2-L5 PolarHBondContact O-N 3.11Å; D2-L5 VanDerWaalsContact O-N 3.09Å; L5-R7 VanDerWaalsContact C-N 3.35Å; L5-R9 WeakPolarHBondContact O-CB 3.32Å; L5-R9 PolarHBondContact O-N 3.47Å; L5-R9 VanDerWaalsContact O-N 3.07Å
6L79.9Confident80.1Confident93 Ų93134.4 Ų134.449%0.48764%0.643SS.*Hα-helixtrans-63.7-42.4172.7-83.9128.2000111.4M1 R9 E10M1-L6 HydrophobicContact CB-CD1 4.26Å; L6-R9 PolarHBondContact O-N 3.26Å; L6-E10 WeakPolarHBondContact O-CG 3.21Å; L6-E10 PolarHBondContact O-N 2.84Å
7R82.1Confident79.9Confident184 Ų184134.5 Ų134.569%0.69465%0.647SS**Hα-helixtrans-66.4-41.7179.4-162.2177.5-174.7115.5-2.1112.1P3 S4 L5 E10 L11P3-R7 PolarHBondContact O-N 2.95Å; S4-R7 PolarHBondContact O-N 3.02Å; L5-R7 VanDerWaalsContact C-N 3.35Å; R7-E10 PolarHBondContact O-N 2.88Å; R7-L11 HydrophobicContact CG-CD1 4.48Å; R7-L11 VanDerWaalsContact O-CG 3.31Å; R7-L11 WeakPolarHBondContact O-CG 3.41Å; R7-L11 PolarHBondContact O-N 3.26Å
8E84.9Confident79.5Confident126 Ų126132 Ų13259%0.58965%0.646SS**Hα-helixtrans-63.8-41.8175-80.1-171.2156.200112.4S4 E10 L11 F12S4-E8 PolarHBondContact O-N 3.13Å; E8-E10 VanDerWaalsContact C-N 3.34Å; E8-E10 PolarHBondContact O-N 3.41Å; E8-L11 PolarHBondContact O-N 2.9Å; E8-F12 WeakPolarHBondContact O-CB 3.33Å; E8-F12 PolarHBondContact O-N 3.33Å
9R84.4Confident79Confident194 Ų194129.1 Ų129.173%0.73264%0.637SS**Hα-helixtrans-61.6-42.3176.7-179.8-178.6161.7158.2-2.5111.9L5 L6 K13L5-R9 WeakPolarHBondContact O-CB 3.32Å; L5-R9 PolarHBondContact O-N 3.47Å; L5-R9 VanDerWaalsContact O-N 3.07Å; L6-R9 PolarHBondContact O-N 3.26Å; R9-K13 WeakPolarHBondContact O-CB 3.33Å; R9-K13 PolarHBondContact O-N 3.37Å
10E86Confident77.8Confident125 Ų125128.7 Ų128.758%0.58464%0.644SS**Hα-helixtrans-66.3-40.7177.4-74.2179.6-177.500112.2L6 R7 E8 K13 K14L6-E10 WeakPolarHBondContact O-CG 3.21Å; L6-E10 PolarHBondContact O-N 2.84Å; R7-E10 PolarHBondContact O-N 2.88Å; E8-E10 VanDerWaalsContact C-N 3.34Å; E8-E10 PolarHBondContact O-N 3.41Å; E10-K13 PolarHBondContact O-N 3.46Å; E10-K14 WeakPolarHBondContact O-CB 3.5Å; E10-K14 WeakPolarHBondContact O-CG 3.42Å; E10-K14 PolarHBondContact O-N 3.22Å
11L85.5Confident76.7Confident109 Ų109128.3 Ų128.357%0.57165%0.648SS**Hα-helixtrans-65.5-41.7176.2-73.3172.4000112R7 E8 K14 R15R7-L11 HydrophobicContact CG-CD1 4.48Å; R7-L11 VanDerWaalsContact O-CG 3.31Å; R7-L11 WeakPolarHBondContact O-CG 3.41Å; R7-L11 PolarHBondContact O-N 3.26Å; E8-L11 PolarHBondContact O-N 2.9Å; L11-K14 PolarHBondContact O-N 3.05Å; L11-R15 WeakPolarHBondContact O-CB 3.36Å; L11-R15 PolarHBondContact O-N 3.37Å
12F83.3Confident76.4Confident157 Ų157124.3 Ų124.369%0.68964%0.636SS**Hα-helixtrans-61.9-46175.5-178.6-98.3000111.5E8 K14 R15 A16E8-F12 WeakPolarHBondContact O-CB 3.33Å; E8-F12 PolarHBondContact O-N 3.33Å; F12-K14 PolarHBondContact O-N 3.01Å; F12-R15 PolarHBondContact O-N 3.43Å; F12-A16 PolarHBondContact O-N 2.9Å
13K85.3Confident75.7Confident138 Ų138126.5 Ų126.560%0.664%0.642SS**Hα-helixtrans-63.1-41.9178-169177.1179.2-176.50111.9R9 E10 A16 L17R9-K13 WeakPolarHBondContact O-CB 3.33Å; R9-K13 PolarHBondContact O-N 3.37Å; E10-K13 PolarHBondContact O-N 3.46Å; K13-A16 PolarHBondContact O-N 3.46Å; K13-L17 HydrophobicContact CG-CD1 4.19Å; K13-L17 WeakPolarHBondContact O-CD1 3.34Å; K13-L17 PolarHBondContact O-N 2.65Å; K13-L17 VanDerWaalsContact O-N 3.13Å
14K84.3Confident74.2Confident152 Ų152131.3 Ų131.366%0.66165%0.653SS**Hα-helixtrans-63.5-40.1175.3-80.1-171175.2-178.40112.1E10 L11 F12 L17 S18E10-K14 WeakPolarHBondContact O-CB 3.5Å; E10-K14 WeakPolarHBondContact O-CG 3.42Å; E10-K14 PolarHBondContact O-N 3.22Å; L11-K14 PolarHBondContact O-N 3.05Å; F12-K14 PolarHBondContact O-N 3.01Å; K14-L17 PolarHBondContact O-N 3.12Å; K14-S18 WeakPolarHBondContact O-CB 3.41Å; K14-S18 PolarHBondContact O-N 3.41Å; K14-S18 VanDerWaalsContact O-N 3.11Å; K14-S18 PolarHBondContact O-OG 3.2Å
15R80.4Confident72.2Confident188 Ų188138.4 Ų138.471%0.70967%0.667SS**Hα-helixtrans-65.5-44178.3-167.6172-177.8128-0.8111.8L11 F12 L17 S18 T19L11-R15 WeakPolarHBondContact O-CB 3.36Å; L11-R15 PolarHBondContact O-N 3.37Å; F12-R15 PolarHBondContact O-N 3.43Å; R15-L17 VanDerWaalsContact C-N 3.33Å; R15-L17 PolarHBondContact O-N 3.44Å; R15-S18 PolarHBondContact O-N 3.34Å; R15-S18 PolarHBondContact O-OG 2.88Å; R15-T19 PolarHBondContact O-N 3.22Å
16A79.8Confident70.1Confident55 Ų55138.4 Ų138.446%0.45568%0.676SS.*Hα-helixtrans-63.3-36.1177.500000113.1F12 K13 T19F12-A16 PolarHBondContact O-N 2.9Å; K13-A16 PolarHBondContact O-N 3.46Å; A16-T19 PolarHBondContact O-OG1 3.5Å; A16-T19 VanDerWaalsContact O-OG1 3.07Å
17L76.5Confident68.2Low137 Ų137139.1 Ų139.172%0.71770%0.696SS**Hα-helixtrans-71.2-30.2174.9-80.3157.7000113.1K13 K14 R15K13-L17 HydrophobicContact CG-CD1 4.19Å; K13-L17 WeakPolarHBondContact O-CD1 3.34Å; K13-L17 PolarHBondContact O-N 2.65Å; K13-L17 VanDerWaalsContact O-N 3.13Å; K14-L17 PolarHBondContact O-N 3.12Å; R15-L17 VanDerWaalsContact C-N 3.33Å; R15-L17 PolarHBondContact O-N 3.44Å
18S72Confident65.9Low89 Ų89136 Ų13662%0.62270%0.702SS**Hα-helixtrans-83-17.6-177.770.10000114.2K14 R15 P20K14-S18 WeakPolarHBondContact O-CB 3.41Å; K14-S18 PolarHBondContact O-N 3.41Å; K14-S18 VanDerWaalsContact O-N 3.11Å; K14-S18 PolarHBondContact O-OG 3.2Å; R15-S18 PolarHBondContact O-N 3.34Å; R15-S18 PolarHBondContact O-OG 2.88Å; S18-P20 WeakPolarHBondContact O-CD 3.22Å
19T70.8Confident63.5Low77 Ų77135.2 Ų135.247%0.47271%0.71SS.*SBendtrans-84.1117.7176.548.60000109.6R15 A16 V21R15-T19 PolarHBondContact O-N 3.22Å; A16-T19 PolarHBondContact O-OG1 3.5Å; A16-T19 VanDerWaalsContact O-OG1 3.07Å; T19-V21 PolarHBondContact O-N 2.66Å; T19-V21 VanDerWaalsContact O-N 3.15Å
20P55.6Low60.9Low120 Ų120134.4 Ų134.478%0.77972%0.715SS**  trans-62.8119.7176.725.2-32.4000109.7S18 V22S18-P20 WeakPolarHBondContact O-CD 3.22Å; P20-V22 PolarHBondContact O-N 3.17Å
21V54.5Low58.2Low121 Ų121133.4 Ų133.473%0.73372%0.722SS**  trans-67.1115.8173.6166.60000108.2T19 E23T19-V21 PolarHBondContact O-N 2.66Å; T19-V21 VanDerWaalsContact O-N 3.15Å; V21-E23 HydrophobicContact CG1-CG 4.02Å; V21-E23 PolarHBondContact O-N 3.3Å
22V51.7Low55.5Low136 Ų136133.2 Ų133.282%0.82473%0.73SS**  trans-79.294.5169.6176.90000107.7P20 K24P20-V22 PolarHBondContact O-N 3.17Å; V22-K24 PolarHBondContact O-N 3.09Å
23E54.7Low52.9Low157 Ų157130.8 Ų130.873%0.73473%0.732SS**  trans-70.5117.7168.4-71-171.3154.800109.8V21 R25V21-E23 HydrophobicContact CG1-CG 4.02Å; V21-E23 PolarHBondContact O-N 3.3Å; E23-R25 PolarHBondContact O-N 3.03Å; E23-R25 VanDerWaalsContact O-N 3.16Å
24K47.6Very low50.2Low209 Ų209130 Ų13091%0.90974%0.743SS**  trans-70.7103.6162.4-89.5-177.5175177.10108.4V22V22-K24 PolarHBondContact O-N 3.09Å
25R37.1Very low47.7Very low229 Ų229127.7 Ų127.786%0.86475%0.747SS**PPolyproline II helixtrans-69.1137.2169.5-93.9-175.9-178.2176.70.6111.8E23E23-R25 PolarHBondContact O-N 3.03Å; E23-R25 VanDerWaalsContact O-N 3.16Å
26S36.7Very low45.3Very low110 Ų110124.2 Ų124.277%0.76975%0.751SS**PPolyproline II helixtrans-58.7146.1164.247.20000112.4
27A39.7Very low43.1Very low109 Ų109130.3 Ų130.390%0.90177%0.768SS**PPolyproline II helixtrans-69.4131.8179.500000112.5
28S32.8Very low41.1Very low117 Ų117132.9 Ų132.982%0.81877%0.773SS**  trans-135.6143.8161.756.20000109.7
29S34.1Very low39.1Very low110 Ų110138.3 Ų138.377%0.76979%0.785SS**  trans-69.4156.1-170.742.90000116.4
30E30.2Very low37.4Very low178 Ų178143.9 Ų143.983%0.83280%0.803SS**  trans124.3120.2143.8-65.5-160142.600118.7
31S29.9Very low36.2Very low104 Ų104145.3 Ų145.373%0.72781%0.809SS**  trans43.9130.2143.962.70000124.2
32S29.2Very low35.2Very low105 Ų105148.6 Ų148.673%0.73481%0.814SS**  trans111.8120.413074.50000119.8
33S27.7Very low34.2Very low105 Ų105148 Ų14873%0.73481%0.81SS**  trans48.7118.7142.661.20000121
34S29.6Very low32.9Very low121 Ų121148.7 Ų148.785%0.84681%0.813SS**  169.9143.310053.30000113
35S30.3Very low32.1Very low105 Ų105147.9 Ų147.973%0.73481%0.812SS**  trans-65.4146.2174.2520000114
36S31.9Very low31.5Very low114 Ų114140.8 Ų140.880%0.79781%0.811SS**  163.8128.6110.951.40000116
37K32.7Very low31Very low184 Ų184139.1 Ų139.180%0.881%0.811SS**  trans39.7127.8138-84.3170.9177.91640123.6
38K34Very low30.5Very low190 Ų190139.9 Ų139.983%0.82681%0.81SS**  trans72.5133.3141.5-65.7179.3178.3-179.50115.5
39K31.1Very low30.4Very low203 Ų203140 Ų14088%0.88381%0.811SS**  -171.3149.860.9-172.8174.5179.7-179.30111.3
40K34.5Very low30.2Very low194 Ų194138 Ų13884%0.84381%0.807SS**  trans-53.6150.4174.9-66.8172.8171.1179.60114.3
41T30.3Very low30.2Very low150 Ų150134.8 Ų134.892%0.9281%0.805SS**  -156.7137.7121.434.80000110.6
42K32.8Very low30.2Very low191 Ų191139.1 Ų139.183%0.8381%0.811SS**  trans-104.8164.8171.8173.7176.6176.2-178.80107.2
43V31.3Very low30.7Very low122 Ų122143.5 Ų143.574%0.73982%0.819SS**  trans116.4131.2163.7177.80000111.2
44E26.9Very low30.6Very low172 Ų172144.6 Ų144.680%0.80482%0.817SS**  cis-160.2176.6-9.6-112.1-174.9-172.400110.8
45H30.7Very low31.3Very low192 Ų192143.5 Ų143.589%0.88981%0.809SS**  trans-34.9145.6179.4-100.354.3000119.7
46G26.3Very low31.3Very low80 Ų80144.3 Ų144.383%0.82581%0.805SS**  trans-174.9116.7154.400000110.5
47G25.7Very low32.1Very low76 Ų76147.8 Ų147.878%0.78481%0.809SS**  trans-93.1-162.4-160.400000118.2
48S28.3Very low32.3Very low124 Ų124144 Ų14487%0.86781%0.805SS**  trans85.6110.5164.6-66.60000120
49S31Very low32.7Very low120 Ų120142.8 Ų142.884%0.83981%0.808SS**  69102.7120.5176.40000119
50G30.1Very low33.2Very low68 Ų68136 Ų13670%0.70180%0.796SS**  98.5117.4124.300000115.7
51S30.5Very low33.7Very low111 Ų111132 Ų13278%0.77679%0.792SS**  trans179.2128.3131.330.70000113.4
52K30.2Very low34.7Very low195 Ų195134.2 Ų134.285%0.84879%0.789SS**  trans63104.7130.8-69.4170.6172.5170.90118.6N54K52-N54 PolarHBondContact O-N 2.89Å
53Q38.5Very low35.5Very low197 Ų197130.6 Ų130.692%0.92178%0.779SS**  trans-40.5117.1137.9-70.4169.2-2900109.8
54N26.7Very low36.6Very low128 Ų128130.4 Ų130.468%0.68477%0.773SS**  trans-111.8101.5160.3-150.239.9000107.1K52 D56K52-N54 PolarHBondContact O-N 2.89Å; N54-D56 VanDerWaalsContact C-N 3.32Å; N54-D56 PolarHBondContact ND2-OD2 3.5Å; N54-D56 PolarHBondContact O-N 3.4Å; N54-D56 VanDerWaalsContact O-N 3.13Å
55S43.3Very low37.7Very low98 Ų98131.2 Ų131.269%0.68577%0.774SS**  trans-7586.3168.352.50000108.5
56D30.6Very low38.4Very low122 Ų122126 Ų12665%0.65276%0.764SS**  trans-89.6105.3166.6-90.4-46.2000109.8N54 S58N54-D56 VanDerWaalsContact C-N 3.32Å; N54-D56 PolarHBondContact ND2-OD2 3.5Å; N54-D56 PolarHBondContact O-N 3.4Å; N54-D56 VanDerWaalsContact O-N 3.13Å; D56-S58 PolarHBondContact O-N 3.15Å
57H48.7Very low39.5Very low187 Ų187126 Ų12687%0.86675%0.745SS**  trans-53.696.1163.1-74.2-80.9000109.9
58S37.8Very low40.4Very low104 Ų104128.3 Ų128.373%0.72775%0.749SS**  trans-114.9103.2166.947.40000109.1D56 G60D56-S58 PolarHBondContact O-N 3.15Å; S58-G60 PolarHBondContact O-N 3.35Å
59N41.4Very low41.3Very low165 Ų165124.5 Ų124.588%0.88273%0.73SS**  trans-1.3105.2155.8-149.36000114.5S61N59-S61 VanDerWaalsContact C-N 3.32Å; N59-S61 PolarHBondContact O-N 3.28Å
60G40.5Very low42.5Very low61 Ų61122.4 Ų122.463%0.62972%0.715SS**  trans-64.879.9-172.300000114.2S58 F62S58-G60 PolarHBondContact O-N 3.35Å; G60-F62 PolarHBondContact O-N 2.89Å
61S45.8Very low44Very low110 Ų110121.5 Ų121.577%0.76970%0.698SS**  trans-75.895.2149.5-1790000106.8N59 N63N59-S61 VanDerWaalsContact C-N 3.32Å; N59-S61 PolarHBondContact O-N 3.28Å; S61-N63 PolarHBondContact O-N 3.02Å
62F52Low45.7Very low195 Ų195116.8 Ų116.886%0.85567%0.667SS**  trans-53.6107.5174.6-75.2-88.7000109.2G60 L64G60-F62 PolarHBondContact O-N 2.89Å; F62-L64 VanDerWaalsContact C-N 3.27Å; F62-L64 PolarHBondContact O-N 2.91Å
63N48.3Very low48Very low116 Ų116113.6 Ų113.662%0.6265%0.65SS**  trans-77.182-178.1-155.5-28.5000108.8S61 K65 A66S61-N63 PolarHBondContact O-N 3.02Å; N63-K65 PolarHBondContact O-N 2.69Å; N63-K65 VanDerWaalsContact O-N 3.09Å; N63-A66 PolarHBondContact O-N 3.48Å
64L55.9Low49.8Very low117 Ų117106.5 Ų106.561%0.61362%0.617SS**G310 helixtrans-57.1-23.5-178.6-17168.8000112.5F62 A66 L67F62-L64 VanDerWaalsContact C-N 3.27Å; F62-L64 PolarHBondContact O-N 2.91Å; L64-A66 VanDerWaalsContact C-N 3.29Å; L64-A66 PolarHBondContact O-N 2.77Å; L64-L67 PolarHBondContact O-N 3.29Å
65K49.5Very low52.4Low189 Ų189105.2 Ų105.282%0.82261%0.605SS**G310 helixtrans-71-18177.1-86.1-179.9174.9168.50114.1N63 L67N63-K65 PolarHBondContact O-N 2.69Å; N63-K65 VanDerWaalsContact O-N 3.09Å; K65-L67 VanDerWaalsContact C-N 3.32Å
66A45.8Very low54.2Low83 Ų83102.1 Ų102.169%0.68659%0.588SS**G310 helixtrans-82.5-8.1179.500000113.7N63 L64N63-A66 PolarHBondContact O-N 3.48Å; L64-A66 VanDerWaalsContact C-N 3.29Å; L64-A66 PolarHBondContact O-N 2.77Å
67L49.7Very low56.5Low81 Ų8196.5 Ų96.542%0.42456%0.558SS.*G310 helixtrans-105.234-178.7-69164.9000112.4L64 K65 G69 G72L64-L67 PolarHBondContact O-N 3.29Å; K65-L67 VanDerWaalsContact C-N 3.32Å; L67-G69 PolarHBondContact O-N 3.41Å; L67-G72 WeakPolarHBondContact O-CA 3.46Å; L67-G72 PolarHBondContact O-N 2.91Å
68S44.3Very low58.1Low124 Ų12488.7 Ų88.787%0.86752%0.523SS*.THydrogen-bonded Turntrans-71.158.1176.7-173.80000112.5
69G47.3Very low60.2Low44 Ų4486.6 Ų86.645%0.45451%0.512SS..THydrogen-bonded Turntrans-138.7163.8160.400000106.9L67 S71 G72L67-G69 PolarHBondContact O-N 3.41Å; G69-S71 PolarHBondContact O-N 3.02Å; G69-G72 PolarHBondContact O-N 3.41Å
70S55.8Low62.2Low75 Ų7584.2 Ų84.252%0.52449%0.494SS..Hα-helixtrans-40.1-24.6-173.1-172.40000117K74S70-K74 WeakPolarHBondContact O-CG 3.49Å
71S60.6Low64.2Low49 Ų4981.5 Ų81.534%0.34347%0.465SS..Hα-helixtrans-65.4-39.2174.354.20000114.8G69 Y73 K74 F75G69-S71 PolarHBondContact O-N 3.02Å; S71-Y73 VanDerWaalsContact C-N 3.27Å; S71-Y73 PolarHBondContact O-N 3.18Å; S71-K74 WeakPolarHBondContact O-CB 3.44Å; S71-K74 PolarHBondContact O-N 2.76Å; S71-F75 WeakPolarHBondContact O-CD2 3.34Å; S71-F75 PolarHBondContact O-N 3.36Å
72G67.7Low65.9Low13 Ų1377.4 Ų77.413%0.13444%0.435CS..Hα-helixtrans-61-36.3-178.800000112.9L67 G69 G76L67-G72 WeakPolarHBondContact O-CA 3.46Å; L67-G72 PolarHBondContact O-N 2.91Å; G69-G72 PolarHBondContact O-N 3.41Å; G72-G76 PolarHBondContact O-N 2.94Å
73Y78.6Confident67.4Low128 Ų12872.9 Ų72.950%0.50242%0.42SS..Hα-helixtrans-65.3-42.6173-180-104.7000112.2S71 F75 G76 V77 I111S71-Y73 VanDerWaalsContact C-N 3.27Å; S71-Y73 PolarHBondContact O-N 3.18Å; Y73-F75 PolarHBondContact O-N 3.39Å; Y73-G76 PolarHBondContact O-N 2.74Å; Y73-V77 HydrophobicContact CD1-CG2 4.32Å; Y73-V77 HydrophobicContact CD2-CG2 4.41Å; Y73-V77 HydrophobicContact CE1-CG2 3.92Å; Y73-V77 HydrophobicContact CE2-CG2 4.02Å; Y73-V77 WeakPolarHBondContact O-CG2 3.44Å; Y73-V77 PolarHBondContact O-N 3.46Å; Y73-I111 HydrophobicContact CE1-CD1 4.45Å
74K76Confident69Low48 Ų4870.1 Ų70.121%0.20940%0.401CS..Hα-helixtrans-61.5-42.9177.8-59.9-177.1-164.5-172.50112S70 S71 L78 Q115 W118S70-K74 WeakPolarHBondContact O-CG 3.49Å; S71-K74 WeakPolarHBondContact O-CB 3.44Å; S71-K74 PolarHBondContact O-N 2.76Å; K74-L78 WeakPolarHBondContact O-CB 3.48Å; K74-L78 PolarHBondContact O-N 3.29Å; K74-Q115 HydrophobicContact CD-CG 4.02Å; K74-Q115 HydrophobicContact CG-CB 4.41Å; K74-Q115 HydrophobicContact CG-CG 3.66Å; K74-W118 HydrophobicContact CB-CE3 3.89Å; K74-W118 HydrophobicContact CB-CH2 4.25Å; K74-W118 HydrophobicContact CB-CZ3 3.65Å; K74-W118 HydrophobicContact CD-CD2 4.32Å; K74-W118 HydrophobicContact CD-CE3 4.2Å; K74-W118 HydrophobicContact CG-CE3 4.5Å
75F80.1Confident70Confident101 Ų10164.8 Ų64.844%0.44337%0.373SS..Hα-helixtrans-70-35.5175.3-71.3-68.9000112.6S71 Y73 L78 A79 W118S71-F75 WeakPolarHBondContact O-CD2 3.34Å; S71-F75 PolarHBondContact O-N 3.36Å; Y73-F75 PolarHBondContact O-N 3.39Å; F75-L78 PolarHBondContact O-N 2.65Å; F75-A79 WeakPolarHBondContact O-CB 3.47Å; F75-A79 PolarHBondContact O-N 3.38Å; F75-W118 AromaticContact CD1-CH2 3.9Å; F75-W118 HydrophobicContact CD1-CH2 3.9Å; F75-W118 AromaticContact CE1-CH2 3.7Å; F75-W118 HydrophobicContact CE1-CH2 3.7Å; F75-W118 AromaticContact CE1-CZ2 3.88Å; F75-W118 HydrophobicContact CE1-CZ2 3.88Å; F75-W118 HydrophobicContact CG-CH2 4.48Å; F75-W118 HydrophobicContact CZ-CH2 4.11Å; F75-W118 AromaticContact CZ-CZ2 3.95Å; F75-W118 HydrophobicContact CZ-CZ2 3.95Å
76G81.3Confident71.4Confident32 Ų3258.7 Ų58.733%0.3335%0.347SS..Hα-helixtrans-62.2-43.8173.400000112.5G72 Y73 A79 K80G72-G76 PolarHBondContact O-N 2.94Å; Y73-G76 PolarHBondContact O-N 2.74Å; G76-A79 PolarHBondContact O-N 2.99Å; G76-K80 PolarHBondContact O-N 2.92Å
77V80.1Confident73.1Confident4 Ų456.8 Ų56.82%0.02433%0.326CS..Hα-helixtrans-66.6-42.6175.9177.30000111Y73 A79 K80 I81 I111 L119Y73-V77 HydrophobicContact CD1-CG2 4.32Å; Y73-V77 HydrophobicContact CD2-CG2 4.41Å; Y73-V77 HydrophobicContact CE1-CG2 3.92Å; Y73-V77 HydrophobicContact CE2-CG2 4.02Å; Y73-V77 WeakPolarHBondContact O-CG2 3.44Å; Y73-V77 PolarHBondContact O-N 3.46Å; V77-A79 VanDerWaalsContact C-N 3.34Å; V77-A79 PolarHBondContact O-N 2.87Å; V77-K80 PolarHBondContact O-N 3.31Å; V77-K80 VanDerWaalsContact O-N 3.17Å; V77-I81 HydrophobicContact CG1-CD1 3.86Å; V77-I81 HydrophobicContact CG1-CG1 4.33Å; V77-I81 WeakPolarHBondContact O-CG1 3.23Å; V77-I81 PolarHBondContact O-N 3.46Å; V77-I111 HydrophobicContact CB-CD1 3.97Å; V77-I111 HydrophobicContact CG1-CD1 3.53Å; V77-I111 HydrophobicContact CG2-CD1 3.93Å; V77-L119 HydrophobicContact CG1-CD1 4.36Å
78L81.7Confident74.3Confident24 Ų2453.9 Ų53.913%0.12631%0.31CS..Hα-helixtrans-57.6-45.9173.9-179.366.4000111.8K74 F75 K80 I81 V82 W118 L119 A123 L124K74-L78 WeakPolarHBondContact O-CB 3.48Å; K74-L78 PolarHBondContact O-N 3.29Å; F75-L78 PolarHBondContact O-N 2.65Å; L78-K80 VanDerWaalsContact C-N 3.28Å; L78-K80 PolarHBondContact O-N 3.07Å; L78-I81 PolarHBondContact O-N 3.47Å; L78-V82 HydrophobicContact CD1-CG2 4.36Å; L78-V82 HydrophobicContact CG-CG2 4.45Å; L78-V82 VanDerWaalsContact O-CG2 3.27Å; L78-V82 WeakPolarHBondContact O-CG2 3.42Å; L78-V82 PolarHBondContact O-N 3.01Å; L78-W118 HydrophobicContact CD2-CH2 4.4Å; L78-L119 HydrophobicContact CB-CD2 3.97Å; L78-L119 HydrophobicContact CD1-CD2 3.81Å; L78-L119 HydrophobicContact CG-CD2 4.46Å; L78-A123 HydrophobicContact CD1-CB 3.87Å; L78-A123 HydrophobicContact CD2-CB 3.97Å; L78-A123 HydrophobicContact CG-CB 4.48Å; L78-L124 HydrophobicContact CD1-CD2 4.27Å
79A82.1Confident75.8Confident60 Ų6048.6 Ų48.650%0.49627%0.271SS..Hα-helixtrans-61.8-38.317800000111.9F75 G76 V77 V82 N83F75-A79 WeakPolarHBondContact O-CB 3.47Å; F75-A79 PolarHBondContact O-N 3.38Å; G76-A79 PolarHBondContact O-N 2.99Å; V77-A79 VanDerWaalsContact C-N 3.34Å; V77-A79 PolarHBondContact O-N 2.87Å; A79-V82 PolarHBondContact O-N 3.37Å; A79-N83 VanDerWaalsContact O-CB 3.29Å; A79-N83 WeakPolarHBondContact O-CB 3.46Å; A79-N83 PolarHBondContact O-N 3.07Å
80K83.1Confident77Confident114 Ų11449.8 Ų49.850%0.49627%0.265SS..Hα-helixtrans-67.7-41.6176.5-165.5164176.6-1780111.9G76 V77 L78 N83 Y84 H108G76-K80 PolarHBondContact O-N 2.92Å; V77-K80 PolarHBondContact O-N 3.31Å; V77-K80 VanDerWaalsContact O-N 3.17Å; L78-K80 VanDerWaalsContact C-N 3.28Å; L78-K80 PolarHBondContact O-N 3.07Å; K80-N83 PolarHBondContact O-N 3.21Å; K80-Y84 WeakPolarHBondContact O-CB 3.35Å; K80-Y84 PolarHBondContact O-N 3.09Å; K80-H108 VanDerWaalsContact CD-CE1 3.5Å; K80-H108 WeakPolarHBondContact CD-CE1 2.91Å; K80-H108 VanDerWaalsContact CE-CE1 3.47Å; K80-H108 WeakPolarHBondContact CE-CE1 3.38Å; K80-H108 PolarHBondContact NZ-CE1 3.26Å; K80-H108 VanDerWaalsContact NZ-CE1 3.29Å
81I82.1Confident77.7Confident4 Ų454.9 Ų54.92%0.02127%0.273CS..Hα-helixtrans-58.9-50.9172.1-71.8167.2000110.6V77 L78 N83 Y84 M85 I102 L103 L119V77-I81 HydrophobicContact CG1-CD1 3.86Å; V77-I81 HydrophobicContact CG1-CG1 4.33Å; V77-I81 WeakPolarHBondContact O-CG1 3.23Å; V77-I81 PolarHBondContact O-N 3.46Å; L78-I81 PolarHBondContact O-N 3.47Å; I81-N83 VanDerWaalsContact C-N 3.31Å; I81-N83 PolarHBondContact O-N 2.98Å; I81-Y84 WeakPolarHBondContact O-CB 3.26Å; I81-Y84 PolarHBondContact O-N 3.13Å; I81-M85 HydrophobicContact CG2-CG 4.44Å; I81-M85 HydrophobicContact CG2-SD 4.19Å; I81-M85 WeakPolarHBondContact O-CG 3.46Å; I81-M85 PolarHBondContact O-N 3.41Å; I81-I102 HydrophobicContact CB-CG2 4.29Å; I81-I102 HydrophobicContact CG1-CG2 3.99Å; I81-I102 HydrophobicContact CG2-CG2 3.78Å; I81-L103 HydrophobicContact CD1-CD2 4.1Å; I81-L119 HydrophobicContact CD1-CD1 3.89Å; I81-L119 HydrophobicContact CD1-CD2 4.34Å
82V81.4Confident77.9Confident25 Ų2554.9 Ų54.915%0.15228%0.281CS..Hα-helixtrans-62-40.6179.4174.50000111L78 A79 Y84 M85 K86 N127 I130 F139L78-V82 HydrophobicContact CD1-CG2 4.36Å; L78-V82 HydrophobicContact CG-CG2 4.45Å; L78-V82 VanDerWaalsContact O-CG2 3.27Å; L78-V82 WeakPolarHBondContact O-CG2 3.42Å; L78-V82 PolarHBondContact O-N 3.01Å; A79-V82 PolarHBondContact O-N 3.37Å; V82-Y84 VanDerWaalsContact C-N 3.34Å; V82-M85 PolarHBondContact O-N 3.05Å; V82-K86 VanDerWaalsContact O-CB 3.32Å; V82-K86 WeakPolarHBondContact O-CB 3.42Å; V82-K86 PolarHBondContact O-N 3.03Å; V82-N127 WeakPolarHBondContact CG2-ND2 3.32Å; V82-I130 HydrophobicContact CG2-CD1 4.18Å; V82-F139 HydrophobicContact CG1-CE2 4.25Å
83N83.3Confident77.9Confident99 Ų9958.3 Ų58.353%0.52930%0.296SS..Hα-helixtrans-66.5-37.2177.1-169.354.3000112.2A79 K80 I81 K86 T87A79-N83 VanDerWaalsContact O-CB 3.29Å; A79-N83 WeakPolarHBondContact O-CB 3.46Å; A79-N83 PolarHBondContact O-N 3.07Å; K80-N83 PolarHBondContact O-N 3.21Å; I81-N83 VanDerWaalsContact C-N 3.31Å; I81-N83 PolarHBondContact O-N 2.98Å; N83-K86 PolarHBondContact O-N 3.26Å; N83-T87 WeakPolarHBondContact O-CB 3.47Å; N83-T87 PolarHBondContact O-N 3.04Å; N83-T87 PolarHBondContact O-OG1 3.17Å
84Y82.5Confident77.3Confident59 Ų5955.6 Ų55.623%0.23129%0.293CS..Hα-helixtrans-64.1-49.9174-178.8-103.2000111.2K80 I81 V82 K86 T87 R88 I102 E105 T106K80-Y84 WeakPolarHBondContact O-CB 3.35Å; K80-Y84 PolarHBondContact O-N 3.09Å; I81-Y84 WeakPolarHBondContact O-CB 3.26Å; I81-Y84 PolarHBondContact O-N 3.13Å; V82-Y84 VanDerWaalsContact C-N 3.34Å; Y84-K86 VanDerWaalsContact C-N 3.29Å; Y84-K86 PolarHBondContact O-N 3.3Å; Y84-T87 PolarHBondContact O-N 2.96Å; Y84-T87 VanDerWaalsContact O-N 3.13Å; Y84-R88 WeakPolarHBondContact O-CB 3.49Å; Y84-R88 PolarHBondContact O-N 2.64Å; Y84-I102 HydrophobicContact CD1-CG2 4.32Å; Y84-E105 HydrophobicContact CE1-CB 4.03Å; Y84-E105 WeakPolarHBondContact CE1-OE2 3.24Å; Y84-E105 PolarHBondContact OH-OE2 2.95Å; Y84-T106 HydrophobicContact CD1-CG2 3.96Å; Y84-T106 HydrophobicContact CD2-CG2 4.21Å; Y84-T106 HydrophobicContact CG-CG2 3.69Å
85M77.6Confident76.9Confident5 Ų558 Ų583%0.02530%0.304CS..Hα-helixtrans-58.9-39.6175.2-68.7-173.48000112.2I81 V82 R88 H89 I102 I130 Y137 A138 F139I81-M85 HydrophobicContact CG2-CG 4.44Å; I81-M85 HydrophobicContact CG2-SD 4.19Å; I81-M85 WeakPolarHBondContact O-CG 3.46Å; I81-M85 PolarHBondContact O-N 3.41Å; V82-M85 PolarHBondContact O-N 3.05Å; M85-R88 PolarHBondContact O-N 3.3Å; M85-H89 WeakPolarHBondContact O-CB 3.11Å; M85-H89 PolarHBondContact O-N 3.08Å; M85-I102 HydrophobicContact CE-CD1 4.36Å; M85-I102 HydrophobicContact CG-CD1 4.23Å; M85-I102 HydrophobicContact SD-CD1 3.99Å; M85-I130 HydrophobicContact SD-CD1 4.04Å; M85-I130 HydrophobicContact SD-CG1 4.45Å; M85-Y137 VanDerWaalsContact CE-O 3.26Å; M85-Y137 WeakPolarHBondContact CE-O 3.43Å; M85-A138 VanDerWaalsContact CE-C 3.4Å; M85-F139 HydrophobicContact CB-CB 4.17Å; M85-F139 HydrophobicContact CB-CD2 4.19Å; M85-F139 HydrophobicContact CE-CB 4.44Å
86K78.6Confident76.7Confident61 Ų6155 Ų5527%0.26530%0.296SS..Hα-helixtrans-63-46.9173.4-178.8179.6178178.20111.8V82 N83 Y84 R88 H89 Q90 F139V82-K86 VanDerWaalsContact O-CB 3.32Å; V82-K86 WeakPolarHBondContact O-CB 3.42Å; V82-K86 PolarHBondContact O-N 3.03Å; N83-K86 PolarHBondContact O-N 3.26Å; Y84-K86 VanDerWaalsContact C-N 3.29Å; Y84-K86 PolarHBondContact O-N 3.3Å; K86-R88 VanDerWaalsContact C-N 3.26Å; K86-R88 PolarHBondContact O-N 3.1Å; K86-H89 PolarHBondContact O-N 2.81Å; K86-Q90 WeakPolarHBondContact O-CG 3.31Å; K86-Q90 PolarHBondContact O-N 3.17Å; K86-F139 HydrophobicContact CB-CE1 4.43Å; K86-F139 HydrophobicContact CB-CE2 4.08Å; K86-F139 HydrophobicContact CB-CZ 4.01Å; K86-F139 HydrophobicContact CG-CE1 4.38Å; K86-F139 HydrophobicContact CG-CZ 4.12Å
87T80.8Confident76.5Confident42 Ų4253.7 Ų53.726%0.25828%0.281SS..Hα-helixtrans-62.1-38179.2-560000111N83 Y84 Q90 R91N83-T87 WeakPolarHBondContact O-CB 3.47Å; N83-T87 PolarHBondContact O-N 3.04Å; N83-T87 PolarHBondContact O-OG1 3.17Å; Y84-T87 PolarHBondContact O-N 2.96Å; Y84-T87 VanDerWaalsContact O-N 3.13Å; T87-Q90 WeakPolarHBondContact O-CB 3.48Å; T87-Q90 PolarHBondContact O-N 3.12Å; T87-R91 WeakPolarHBondContact O-CG 3.05Å; T87-R91 PolarHBondContact O-N 3.37Å; T87-R91 VanDerWaalsContact O-N 3.09Å
88R75.5Confident76.5Confident21 Ų2155.6 Ų55.68%0.07929%0.293CS..Hα-helixtrans-68-43.8176.1-163.8-178.2-149.8-122.111.1112.6Y84 M85 K86 Q90 R91 G92 D93 H95 L97 E105Y84-R88 WeakPolarHBondContact O-CB 3.49Å; Y84-R88 PolarHBondContact O-N 2.64Å; M85-R88 PolarHBondContact O-N 3.3Å; K86-R88 VanDerWaalsContact C-N 3.26Å; K86-R88 PolarHBondContact O-N 3.1Å; R88-Q90 VanDerWaalsContact C-N 3.25Å; R88-Q90 PolarHBondContact O-N 2.88Å; R88-R91 WeakPolarHBondContact O-CA 3.17Å; R88-R91 WeakPolarHBondContact O-CB 3.35Å; R88-R91 PolarHBondContact O-N 2.95Å; R88-G92 PolarHBondContact O-N 2.89Å; R88-D93 HydrophobicContact CG-CB 3.85Å; R88-D93 PolarHBondContact O-N 3.39Å; R88-H95 PolarHBondContact NH1-CD2 3.13Å; R88-H95 PolarHBondContact NH1-CE1 3.44Å; R88-H95 VanDerWaalsContact NH1-CG 3.25Å; R88-H95 PolarHBondContact NH1-ND1 3.07Å; R88-H95 VanDerWaalsContact NH1-ND1 3.12Å; R88-H95 PolarHBondContact NH1-NE2 3.13Å; R88-H95 PolarHBondContact NH1-O 3.44Å; R88-H95 VanDerWaalsContact NH1-O 3.1Å; R88-H95 PolarHBondContact NH2-CE1 3.43Å; R88-H95 PolarHBondContact NH2-NE2 3.47Å; R88-L97 VanDerWaalsContact CZ-CD2 3.43Å; R88-L97 VanDerWaalsContact CZ-CG 3.47Å; R88-E105 IonicContact NE-OE2 2.81Å; R88-E105 IonicContact NH2-OE1 3.33Å; R88-E105 IonicContact NH2-OE2 3.98Å
89H75.8Confident76.1Confident13 Ų1355 Ų556%0.0629%0.29CS..Hα-helixtrans-58.8-39171.4-176.179.3000111.6M85 K86 R91 G92 T94 F139 A174M85-H89 WeakPolarHBondContact O-CB 3.11Å; M85-H89 PolarHBondContact O-N 3.08Å; K86-H89 PolarHBondContact O-N 2.81Å; H89-R91 PolarHBondContact O-N 3.13Å; H89-G92 PolarHBondContact O-N 2.91Å; H89-G92 VanDerWaalsContact O-N 3.12Å; H89-T94 WeakPolarHBondContact ND1-CG2 3.15Å; H89-F139 HydrophobicContact CB-CB 4.22Å; H89-F139 HydrophobicContact CB-CD1 3.77Å; H89-F139 HydrophobicContact CB-CG 4.31Å; H89-F139 AromaticContact CG-CD1 3.73Å; H89-A174 PolarHBondContact NE2-O 3.46Å
90Q72.1Confident75.8Confident68 Ų6855.8 Ų55.832%0.31829%0.285SS..Hα-helixtrans-68.7-18.4172.8-71.6178.4-9.900113.9K86 T87 R88 G92 E172 P176K86-Q90 WeakPolarHBondContact O-CG 3.31Å; K86-Q90 PolarHBondContact O-N 3.17Å; T87-Q90 WeakPolarHBondContact O-CB 3.48Å; T87-Q90 PolarHBondContact O-N 3.12Å; R88-Q90 VanDerWaalsContact C-N 3.25Å; R88-Q90 PolarHBondContact O-N 2.88Å; Q90-G92 VanDerWaalsContact C-N 3.27Å; Q90-E172 PolarHBondContact NE2-O 3.09Å; Q90-P176 HydrophobicContact CB-CB 4.33Å; Q90-P176 WeakPolarHBondContact O-CB 3.2Å; Q90-P176 WeakPolarHBondContact O-CG 3.43Å
91R70.8Confident75.7Confident182 Ų18254.6 Ų54.669%0.68728%0.281SS*.THydrogen-bonded Turntrans-84.5-4.9172.9-71.3171.3-177.7-1750.4112.7T87 R88 H89 D93T87-R91 WeakPolarHBondContact O-CG 3.05Å; T87-R91 PolarHBondContact O-N 3.37Å; T87-R91 VanDerWaalsContact O-N 3.09Å; R88-R91 WeakPolarHBondContact O-CA 3.17Å; R88-R91 WeakPolarHBondContact O-CB 3.35Å; R88-R91 PolarHBondContact O-N 2.95Å; H89-R91 PolarHBondContact O-N 3.13Å; R91-D93 VanDerWaalsContact C-N 3.33Å
92G65.3Low75.6Confident50 Ų5054.5 Ų54.552%0.51528%0.281SS..THydrogen-bonded Turntrans89.4-0.5-175.900000113.5R88 H89 Q90 T94R88-G92 PolarHBondContact O-N 2.89Å; H89-G92 PolarHBondContact O-N 2.91Å; H89-G92 VanDerWaalsContact O-N 3.12Å; Q90-G92 VanDerWaalsContact C-N 3.27Å; G92-T94 PolarHBondContact O-N 2.86Å
93D67.2Low75.4Confident84 Ų8453.4 Ų53.445%0.44927%0.274SS..  trans-90.382.3-179.8-68-39.8000110.1R88 R91 H95R88-D93 HydrophobicContact CG-CB 3.85Å; R88-D93 PolarHBondContact O-N 3.39Å; R91-D93 VanDerWaalsContact C-N 3.33Å; D93-H95 PolarHBondContact O-N 2.94Å
94T65.3Low75.2Confident72 Ų7253.5 Ų53.544%0.44228%0.275SS..  trans-86.418.6178.269.40000113.1H89 G92H89-T94 WeakPolarHBondContact ND1-CG2 3.15Å; G92-T94 PolarHBondContact O-N 2.86Å
95H69.3Low74.9Confident97 Ų9754.8 Ų54.845%0.44928%0.283SS..  trans-74.4136.5-175.971.2-95.8000110.9R88 D93 L97R88-H95 PolarHBondContact NH1-CD2 3.13Å; R88-H95 PolarHBondContact NH1-CE1 3.44Å; R88-H95 VanDerWaalsContact NH1-CG 3.25Å; R88-H95 PolarHBondContact NH1-ND1 3.07Å; R88-H95 VanDerWaalsContact NH1-ND1 3.12Å; R88-H95 PolarHBondContact NH1-NE2 3.13Å; R88-H95 PolarHBondContact NH1-O 3.44Å; R88-H95 VanDerWaalsContact NH1-O 3.1Å; R88-H95 PolarHBondContact NH2-CE1 3.43Å; R88-H95 PolarHBondContact NH2-NE2 3.47Å; D93-H95 PolarHBondContact O-N 2.94Å; H95-L97 PolarHBondContact O-N 3.13Å
96P75.9Confident74.8Confident40 Ų4055.2 Ų55.226%0.2629%0.286SS..  trans-66.1130.8179.4-18.632.1000110.3I133 K136 A138P96-I133 HydrophobicContact CG-CB 4.4Å; P96-I133 HydrophobicContact CG-CD1 4.23Å; P96-K136 HydrophobicContact CB-CB 3.35Å; P96-K136 HydrophobicContact CB-CD 3.88Å; P96-K136 HydrophobicContact CB-CG 4.26Å; P96-A138 HydrophobicContact CB-CB 4.37Å; P96-A138 HydrophobicContact CG-CB 4.37Å
97L75.6Confident74.4Confident4 Ų460.9 Ų60.92%0.02131%0.313CS..BIsolated β-bridgetrans-108.3155.7170.5-49.893.2000111.4R88 H95 E101 I102 E105 K136 Y137R88-L97 VanDerWaalsContact CZ-CD2 3.43Å; R88-L97 VanDerWaalsContact CZ-CG 3.47Å; H95-L97 PolarHBondContact O-N 3.13Å; L97-E101 WeakPolarHBondContact CA-OE2 2.95Å; L97-E101 HydrophobicContact CB-CB 4.19Å; L97-E101 HydrophobicContact CD2-CB 3.88Å; L97-I102 HydrophobicContact CB-CD1 4.09Å; L97-I102 HydrophobicContact CB-CG1 3.74Å; L97-I102 HydrophobicContact CD1-CD1 4.32Å; L97-I102 HydrophobicContact CD1-CG1 4.02Å; L97-I102 HydrophobicContact CD2-CG1 4Å; L97-I102 HydrophobicContact CG-CG1 4.18Å; L97-E105 WeakPolarHBondContact CD2-OE2 3.39Å; L97-K136 CarbonylContact O-C 3.6Å; L97-K136 WeakPolarHBondContact O-CA 3.46Å; L97-Y137 PolarHBondContact N-O 2.99Å; L97-Y137 VanDerWaalsContact N-O 3.14Å; L97-Y137 PolarHBondContact O-N 3.21Å
98T79.9Confident73.7Confident44 Ų4460.3 Ų60.327%0.2731%0.308SS..  trans-71.2156.2162.863.80000110.8D100 E101 I102 K136T98-D100 PolarHBondContact O-N 3.42Å; T98-E101 PolarHBondContact N-OE2 3.4Å; T98-E101 PolarHBondContact O-N 3.3Å; T98-E101 VanDerWaalsContact OG1-CD 3.23Å; T98-E101 VanDerWaalsContact OG1-CG 3.26Å; T98-E101 WeakPolarHBondContact OG1-CG 3.34Å; T98-E101 PolarHBondContact OG1-N 3.19Å; T98-E101 PolarHBondContact OG1-OE2 3.4Å; T98-I102 WeakPolarHBondContact O-CG1 3.46Å; T98-I102 PolarHBondContact O-N 3.33Å; T98-I102 VanDerWaalsContact O-N 3.16Å; T98-K136 HydrophobicContact CG2-CG 4.18Å
99L73.4Confident73.1Confident12 Ų1264.4 Ų64.46%0.06333%0.331CS..Hα-helixtrans-61-29.5175.2172.3144000111.7I102 L103 K116 L119 M120 L124 Y137L99-I102 PolarHBondContact O-N 3.42Å; L99-L103 HydrophobicContact CD2-CD1 3.47Å; L99-L103 VanDerWaalsContact CD2-CD1 3.47Å; L99-L103 HydrophobicContact CD2-CG 4.21Å; L99-L103 HydrophobicContact CG-CD1 4.15Å; L99-L103 HydrophobicContact CG-CG 4.38Å; L99-L103 WeakPolarHBondContact O-CB 2.8Å; L99-L103 WeakPolarHBondContact O-CG 3.32Å; L99-L103 PolarHBondContact O-N 3.17Å; L99-K116 HydrophobicContact CD2-CD 4.28Å; L99-K116 HydrophobicContact CD2-CG 3.72Å; L99-L119 HydrophobicContact CD1-CB 3.7Å; L99-M120 HydrophobicContact CD1-CB 4.42Å; L99-L124 HydrophobicContact CB-CD1 4.47Å; L99-L124 HydrophobicContact CD1-CD1 3.51Å; L99-Y137 HydrophobicContact CB-CD2 4.06Å; L99-Y137 HydrophobicContact CB-CE2 3.77Å
100D76.8Confident72.6Confident76 Ų7671.5 Ų71.541%0.40637%0.369SS..Hα-helixtrans-70.9-42177.2-81.1-28.6000113.1T98 I102 L103 D104 K116T98-D100 PolarHBondContact O-N 3.42Å; D100-I102 VanDerWaalsContact C-N 3.3Å; D100-I102 PolarHBondContact O-N 3.47Å; D100-L103 PolarHBondContact O-N 3.24Å; D100-D104 WeakPolarHBondContact O-CB 3.4Å; D100-D104 PolarHBondContact O-N 3.44Å; D100-K116 WeakPolarHBondContact OD1-CE 2.92Å; D100-K116 IonicContact OD1-NZ 3.5Å; D100-K116 PolarHBondContact OD1-NZ 3.28Å; D100-K116 IonicContact OD2-NZ 2.57Å; D100-K116 PolarHBondContact OD2-NZ 2.87Å
101E81.3Confident72.5Confident88 Ų8868.8 Ų68.841%0.41136%0.356SS..Hα-helixtrans-61.8-39.1172.8-70.1160.1153.500111.4L97 T98 D104 E105L97-E101 WeakPolarHBondContact CA-OE2 2.95Å; L97-E101 HydrophobicContact CB-CB 4.19Å; L97-E101 HydrophobicContact CD2-CB 3.88Å; T98-E101 PolarHBondContact N-OE2 3.4Å; T98-E101 PolarHBondContact O-N 3.3Å; T98-E101 VanDerWaalsContact OG1-CD 3.23Å; T98-E101 VanDerWaalsContact OG1-CG 3.26Å; T98-E101 WeakPolarHBondContact OG1-CG 3.34Å; T98-E101 PolarHBondContact OG1-N 3.19Å; T98-E101 PolarHBondContact OG1-OE2 3.4Å; E101-D104 PolarHBondContact O-N 3.11Å; E101-E105 WeakPolarHBondContact O-CB 3.48Å; E101-E105 VanDerWaalsContact O-CG 3.31Å; E101-E105 WeakPolarHBondContact O-CG 3.44Å; E101-E105 PolarHBondContact O-N 2.95Å
102I78.4Confident72.7Confident2 Ų261.7 Ų61.71%0.0134%0.34CS..Hα-helixtrans-67.1-41.6176.3-62.6167.2000111I81 Y84 M85 L97 T98 L99 D100 D104 T106I81-I102 HydrophobicContact CB-CG2 4.29Å; I81-I102 HydrophobicContact CG1-CG2 3.99Å; I81-I102 HydrophobicContact CG2-CG2 3.78Å; Y84-I102 HydrophobicContact CD1-CG2 4.32Å; M85-I102 HydrophobicContact CE-CD1 4.36Å; M85-I102 HydrophobicContact CG-CD1 4.23Å; M85-I102 HydrophobicContact SD-CD1 3.99Å; L97-I102 HydrophobicContact CB-CD1 4.09Å; L97-I102 HydrophobicContact CB-CG1 3.74Å; L97-I102 HydrophobicContact CD1-CD1 4.32Å; L97-I102 HydrophobicContact CD1-CG1 4.02Å; L97-I102 HydrophobicContact CD2-CG1 4Å; L97-I102 HydrophobicContact CG-CG1 4.18Å; T98-I102 WeakPolarHBondContact O-CG1 3.46Å; T98-I102 PolarHBondContact O-N 3.33Å; T98-I102 VanDerWaalsContact O-N 3.16Å; L99-I102 PolarHBondContact O-N 3.42Å; D100-I102 VanDerWaalsContact C-N 3.3Å; D100-I102 PolarHBondContact O-N 3.47Å; I102-D104 VanDerWaalsContact C-N 3.32Å; I102-T106 HydrophobicContact CG2-CG2 4.18Å; I102-T106 VanDerWaalsContact O-CB 3.26Å; I102-T106 WeakPolarHBondContact O-CB 3.28Å; I102-T106 WeakPolarHBondContact O-CG2 3.37Å; I102-T106 PolarHBondContact O-N 3.48Å; I102-T106 PolarHBondContact O-OG1 3.22Å
103L77.3Confident73.3Confident2 Ų266.4 Ų66.41%0.0135%0.353CS..Hα-helixtrans-67.4-34.6178.5-73.8176.7000112.1I81 L99 D100 T106 Q107 H108 L109 I111 K116I81-L103 HydrophobicContact CD1-CD2 4.1Å; L99-L103 HydrophobicContact CD2-CD1 3.47Å; L99-L103 VanDerWaalsContact CD2-CD1 3.47Å; L99-L103 HydrophobicContact CD2-CG 4.21Å; L99-L103 HydrophobicContact CG-CD1 4.15Å; L99-L103 HydrophobicContact CG-CG 4.38Å; L99-L103 WeakPolarHBondContact O-CB 2.8Å; L99-L103 WeakPolarHBondContact O-CG 3.32Å; L99-L103 PolarHBondContact O-N 3.17Å; D100-L103 PolarHBondContact O-N 3.24Å; L103-T106 PolarHBondContact O-OG1 2.88Å; L103-Q107 PolarHBondContact O-N 3.37Å; L103-H108 HydrophobicContact CD2-CB 4.16Å; L103-H108 PolarHBondContact O-N 2.95Å; L103-L109 PolarHBondContact O-N 3.05Å; L103-I111 HydrophobicContact CD1-CG2 3.64Å; L103-I111 HydrophobicContact CD2-CG2 3.94Å; L103-I111 HydrophobicContact CG-CG2 4.41Å; L103-K116 HydrophobicContact CD1-CD 4.43Å; L103-K116 HydrophobicContact CD1-CG 4.3Å
104D80Confident73.8Confident101 Ų10170.7 Ų70.754%0.5437%0.367SS..Hα-helixtrans-68.4-51.9174.6-165.439.1000111D100 E101 I102 T106 Q107D100-D104 WeakPolarHBondContact O-CB 3.4Å; D100-D104 PolarHBondContact O-N 3.44Å; E101-D104 PolarHBondContact O-N 3.11Å; I102-D104 VanDerWaalsContact C-N 3.32Å; D104-T106 VanDerWaalsContact C-N 3.28Å; D104-T106 PolarHBondContact O-N 2.99Å; D104-Q107 PolarHBondContact O-N 3.46Å
105E76.4Confident74.4Confident86 Ų8668.9 Ų68.940%0.40235%0.354SS..Hα-helixtrans-63.7-31.6178.2-72.2179.8168.900112.8Y84 R88 L97 E101 Q107Y84-E105 HydrophobicContact CE1-CB 4.03Å; Y84-E105 WeakPolarHBondContact CE1-OE2 3.24Å; Y84-E105 PolarHBondContact OH-OE2 2.95Å; R88-E105 IonicContact NE-OE2 2.81Å; R88-E105 IonicContact NH2-OE1 3.33Å; R88-E105 IonicContact NH2-OE2 3.98Å; L97-E105 WeakPolarHBondContact CD2-OE2 3.39Å; E101-E105 WeakPolarHBondContact O-CB 3.48Å; E101-E105 VanDerWaalsContact O-CG 3.31Å; E101-E105 WeakPolarHBondContact O-CG 3.44Å; E101-E105 PolarHBondContact O-N 2.95Å; E105-Q107 VanDerWaalsContact C-N 3.31Å
106T74.5Confident74.8Confident14 Ų1467.2 Ų67.29%0.08635%0.345CS..THydrogen-bonded Turntrans-85-0.8175.860.60000113.7Y84 I102 L103 D104 H108Y84-T106 HydrophobicContact CD1-CG2 3.96Å; Y84-T106 HydrophobicContact CD2-CG2 4.21Å; Y84-T106 HydrophobicContact CG-CG2 3.69Å; I102-T106 HydrophobicContact CG2-CG2 4.18Å; I102-T106 VanDerWaalsContact O-CB 3.26Å; I102-T106 WeakPolarHBondContact O-CB 3.28Å; I102-T106 WeakPolarHBondContact O-CG2 3.37Å; I102-T106 PolarHBondContact O-N 3.48Å; I102-T106 PolarHBondContact O-OG1 3.22Å; L103-T106 PolarHBondContact O-OG1 2.88Å; D104-T106 VanDerWaalsContact C-N 3.28Å; D104-T106 PolarHBondContact O-N 2.99Å; T106-H108 VanDerWaalsContact C-N 3.3Å; T106-H108 PolarHBondContact O-CE1 2.97Å; T106-H108 PolarHBondContact O-N 3.41Å; T106-H108 PolarHBondContact O-ND1 3.34Å
107Q69.9Low75Confident180 Ų18070.6 Ų70.684%0.84136%0.358SS*.THydrogen-bonded Turntrans55.837.1-176.2-54.7-177.8-56.300113.8L103 D104 E105L103-Q107 PolarHBondContact O-N 3.37Å; D104-Q107 PolarHBondContact O-N 3.46Å; E105-Q107 VanDerWaalsContact C-N 3.31Å
108H66.1Low75.4Confident31 Ų3172.1 Ų72.114%0.14436%0.363CS..  trans-113.932.8171.9-61.571.9000111.6K80 L103 T106 D110 I111K80-H108 VanDerWaalsContact CD-CE1 3.5Å; K80-H108 WeakPolarHBondContact CD-CE1 2.91Å; K80-H108 VanDerWaalsContact CE-CE1 3.47Å; K80-H108 WeakPolarHBondContact CE-CE1 3.38Å; K80-H108 PolarHBondContact NZ-CE1 3.26Å; K80-H108 VanDerWaalsContact NZ-CE1 3.29Å; L103-H108 HydrophobicContact CD2-CB 4.16Å; L103-H108 PolarHBondContact O-N 2.95Å; T106-H108 VanDerWaalsContact C-N 3.3Å; T106-H108 PolarHBondContact O-CE1 2.97Å; T106-H108 PolarHBondContact O-N 3.41Å; T106-H108 PolarHBondContact O-ND1 3.34Å; H108-D110 PolarHBondContact O-N 2.74Å; H108-D110 VanDerWaalsContact O-N 3.13Å; H108-I111 VanDerWaalsContact O-CB 3.31Å; H108-I111 WeakPolarHBondContact O-CB 3.38Å; H108-I111 WeakPolarHBondContact O-CG2 3.46Å; H108-I111 PolarHBondContact O-N 2.8Å
109L64.4Low75.4Confident107 Ų10770.1 Ų70.156%0.5635%0.351SS*.THydrogen-bonded Turntrans-56.7-28.8177-164.464.5000111.9L103 I111L103-L109 PolarHBondContact O-N 3.05Å; L109-I111 PolarHBondContact O-N 2.91Å; L109-I111 VanDerWaalsContact O-N 3.14Å
110D63.9Low75.5Confident162 Ų16274.3 Ų74.387%0.86637%0.371SS*.THydrogen-bonded Turntrans-78.318.6174.6-64.4-37.6000114.5H108 G112H108-D110 PolarHBondContact O-N 2.74Å; H108-D110 VanDerWaalsContact O-N 3.13Å; D110-G112 PolarHBondContact O-N 2.92Å
111I71.1Confident75.6Confident10 Ų1074.4 Ų74.45%0.05138%0.375CS..  trans-69.7124173-166.5143.4000109.8Y73 V77 L103 H108 L109 L113 Q115 K116 L119Y73-I111 HydrophobicContact CE1-CD1 4.45Å; V77-I111 HydrophobicContact CB-CD1 3.97Å; V77-I111 HydrophobicContact CG1-CD1 3.53Å; V77-I111 HydrophobicContact CG2-CD1 3.93Å; L103-I111 HydrophobicContact CD1-CG2 3.64Å; L103-I111 HydrophobicContact CD2-CG2 3.94Å; L103-I111 HydrophobicContact CG-CG2 4.41Å; H108-I111 VanDerWaalsContact O-CB 3.31Å; H108-I111 WeakPolarHBondContact O-CB 3.38Å; H108-I111 WeakPolarHBondContact O-CG2 3.46Å; H108-I111 PolarHBondContact O-N 2.8Å; L109-I111 PolarHBondContact O-N 2.91Å; L109-I111 VanDerWaalsContact O-N 3.14Å; I111-L113 PolarHBondContact O-N 2.93Å; I111-Q115 HydrophobicContact CD1-CB 3.9Å; I111-Q115 HydrophobicContact CG1-CB 3.41Å; I111-Q115 VanDerWaalsContact CG1-CB 3.41Å; I111-Q115 HydrophobicContact CG1-CG 4.3Å; I111-K116 HydrophobicContact CG2-CB 4.26Å; I111-L119 HydrophobicContact CD1-CD1 3.97Å
112G75.1Confident75.5Confident34 Ų3475.2 Ų75.235%0.35138%0.379SS..  trans-53.2143.3-179.200000112.3D110 K114 Q115 K116D110-G112 PolarHBondContact O-N 2.92Å; G112-K114 PolarHBondContact O-N 3.02Å; G112-Q115 VanDerWaalsContact C-OE1 3.24Å; G112-Q115 VanDerWaalsContact CA-OE1 3.25Å; G112-Q115 WeakPolarHBondContact O-CA 3.45Å; G112-Q115 WeakPolarHBondContact O-CB 3.32Å; G112-Q115 PolarHBondContact O-N 3.4Å; G112-Q115 PolarHBondContact O-OE1 2.93Å; G112-K116 PolarHBondContact O-N 2.79Å
113L77.6Confident75.5Confident149 Ų14975.5 Ų75.578%0.7838%0.381SS*.Hα-helixtrans-50.1-36.3-176.2-111.573.2000113.4I111 Q115 K116 Q117I111-L113 PolarHBondContact O-N 2.93Å; L113-Q115 VanDerWaalsContact C-N 3.32Å; L113-Q115 PolarHBondContact O-N 2.88Å; L113-K116 PolarHBondContact O-N 2.93Å; L113-Q117 WeakPolarHBondContact O-CB 3.31Å; L113-Q117 PolarHBondContact O-N 3.13Å
114K77.6Confident75.3Confident173 Ų17375.5 Ų75.575%0.75238%0.382SS*.Hα-helixtrans-67.1-33.6178.4-64.8-179.2-179176.20112.4G112 W118G112-K114 PolarHBondContact O-N 3.02Å; K114-W118 WeakPolarHBondContact O-CB 3.23Å; K114-W118 PolarHBondContact O-N 3.15Å
115Q77.3Confident75.1Confident34 Ų3475.6 Ų75.616%0.15939%0.385CS..Hα-helixtrans-76.6-41.9176.9-68.379.6-0.500110.6K74 I111 G112 L113 W118 L119K74-Q115 HydrophobicContact CD-CG 4.02Å; K74-Q115 HydrophobicContact CG-CB 4.41Å; K74-Q115 HydrophobicContact CG-CG 3.66Å; I111-Q115 HydrophobicContact CD1-CB 3.9Å; I111-Q115 HydrophobicContact CG1-CB 3.41Å; I111-Q115 VanDerWaalsContact CG1-CB 3.41Å; I111-Q115 HydrophobicContact CG1-CG 4.3Å; G112-Q115 VanDerWaalsContact C-OE1 3.24Å; G112-Q115 VanDerWaalsContact CA-OE1 3.25Å; G112-Q115 WeakPolarHBondContact O-CA 3.45Å; G112-Q115 WeakPolarHBondContact O-CB 3.32Å; G112-Q115 PolarHBondContact O-N 3.4Å; G112-Q115 PolarHBondContact O-OE1 2.93Å; L113-Q115 VanDerWaalsContact C-N 3.32Å; L113-Q115 PolarHBondContact O-N 2.88Å; Q115-W118 PolarHBondContact O-N 3.35Å; Q115-L119 WeakPolarHBondContact O-CG 3.35Å; Q115-L119 PolarHBondContact O-N 3.16Å
116K78.2Confident75.1Confident62 Ų6277.7 Ų77.727%0.2740%0.399SS..Hα-helixtrans-57.3-48.4172.1-175.1175.6171.8174.10111.6L99 D100 L103 I111 G112 L113 W118 L119 M120L99-K116 HydrophobicContact CD2-CD 4.28Å; L99-K116 HydrophobicContact CD2-CG 3.72Å; D100-K116 WeakPolarHBondContact OD1-CE 2.92Å; D100-K116 IonicContact OD1-NZ 3.5Å; D100-K116 PolarHBondContact OD1-NZ 3.28Å; D100-K116 IonicContact OD2-NZ 2.57Å; D100-K116 PolarHBondContact OD2-NZ 2.87Å; L103-K116 HydrophobicContact CD1-CD 4.43Å; L103-K116 HydrophobicContact CD1-CG 4.3Å; I111-K116 HydrophobicContact CG2-CB 4.26Å; G112-K116 PolarHBondContact O-N 2.79Å; L113-K116 PolarHBondContact O-N 2.93Å; K116-W118 PolarHBondContact O-N 3.41Å; K116-L119 PolarHBondContact O-N 3.18Å; K116-M120 PolarHBondContact O-N 3.12Å
117Q80.9Confident75.1Confident112 Ų11278.3 Ų78.352%0.52340%0.402SS..Hα-helixtrans-59.7-47.8178-171.366.720.700111.6L113 L119 M120 T121L113-Q117 WeakPolarHBondContact O-CB 3.31Å; L113-Q117 PolarHBondContact O-N 3.13Å; Q117-L119 VanDerWaalsContact C-N 3.32Å; Q117-L119 PolarHBondContact O-N 2.8Å; Q117-M120 PolarHBondContact O-N 3.07Å; Q117-T121 HydrophobicContact CG-CG2 4.48Å; Q117-T121 VanDerWaalsContact NE2-CG2 3.32Å; Q117-T121 PolarHBondContact O-N 3.22Å; Q117-T121 PolarHBondContact O-OG1 3.41Å
118W84.1Confident75.2Confident36 Ų3675 Ų7514%0.13640%0.397CS..Hα-helixtrans-60.7-39.4178177.376.7000112.5K74 F75 L78 K114 Q115 K116 E122 A123K74-W118 HydrophobicContact CB-CE3 3.89Å; K74-W118 HydrophobicContact CB-CH2 4.25Å; K74-W118 HydrophobicContact CB-CZ3 3.65Å; K74-W118 HydrophobicContact CD-CD2 4.32Å; K74-W118 HydrophobicContact CD-CE3 4.2Å; K74-W118 HydrophobicContact CG-CE3 4.5Å; F75-W118 AromaticContact CD1-CH2 3.9Å; F75-W118 HydrophobicContact CD1-CH2 3.9Å; F75-W118 AromaticContact CE1-CH2 3.7Å; F75-W118 HydrophobicContact CE1-CH2 3.7Å; F75-W118 AromaticContact CE1-CZ2 3.88Å; F75-W118 HydrophobicContact CE1-CZ2 3.88Å; F75-W118 HydrophobicContact CG-CH2 4.48Å; F75-W118 HydrophobicContact CZ-CH2 4.11Å; F75-W118 AromaticContact CZ-CZ2 3.95Å; F75-W118 HydrophobicContact CZ-CZ2 3.95Å; L78-W118 HydrophobicContact CD2-CH2 4.4Å; K114-W118 WeakPolarHBondContact O-CB 3.23Å; K114-W118 PolarHBondContact O-N 3.15Å; Q115-W118 PolarHBondContact O-N 3.35Å; K116-W118 PolarHBondContact O-N 3.41Å; W118-E122 PolarHBondContact NE1-OE1 3.23Å; W118-E122 VanDerWaalsContact NE1-OE1 3.09Å; W118-E122 PolarHBondContact NE1-OE2 2.93Å; W118-E122 WeakPolarHBondContact O-CB 3.43Å; W118-E122 PolarHBondContact O-N 3.12Å; W118-A123 HydrophobicContact CD2-CB 4.39Å; W118-A123 HydrophobicContact CE3-CB 4.02Å; W118-A123 HydrophobicContact CH2-CB 3.84Å; W118-A123 HydrophobicContact CZ2-CB 4.2Å; W118-A123 HydrophobicContact CZ3-CB 3.74Å; W118-A123 PolarHBondContact O-N 3.29Å
119L78.8Confident75.4Confident2 Ų276.2 Ų76.21%0.0140%0.401CS..Iπ-helixtrans-62.1-46175-72.4167.7000111.4V77 L78 I81 L99 I111 Q115 K116 Q117 A123 L124V77-L119 HydrophobicContact CG1-CD1 4.36Å; L78-L119 HydrophobicContact CB-CD2 3.97Å; L78-L119 HydrophobicContact CD1-CD2 3.81Å; L78-L119 HydrophobicContact CG-CD2 4.46Å; I81-L119 HydrophobicContact CD1-CD1 3.89Å; I81-L119 HydrophobicContact CD1-CD2 4.34Å; L99-L119 HydrophobicContact CD1-CB 3.7Å; I111-L119 HydrophobicContact CD1-CD1 3.97Å; Q115-L119 WeakPolarHBondContact O-CG 3.35Å; Q115-L119 PolarHBondContact O-N 3.16Å; K116-L119 PolarHBondContact O-N 3.18Å; Q117-L119 VanDerWaalsContact C-N 3.32Å; Q117-L119 PolarHBondContact O-N 2.8Å; L119-A123 HydrophobicContact CD2-CB 3.89Å; L119-L124 WeakPolarHBondContact O-CB 3.44Å; L119-L124 WeakPolarHBondContact O-CG 3.34Å; L119-L124 PolarHBondContact O-N 3.22Å
120M76.7Confident75.9Confident99 Ų9971.8 Ų71.849%0.48838%0.378SS..Iπ-helixtrans-67.1-45.4-177.7-169.9179.1-17100113.2L99 K116 Q117 Y137L99-M120 HydrophobicContact CD1-CB 4.42Å; K116-M120 PolarHBondContact O-N 3.12Å; Q117-M120 PolarHBondContact O-N 3.07Å; M120-Y137 PolarHBondContact O-OH 2.98Å
121T77.6Confident76.4Confident79 Ų7968.6 Ų68.649%0.48536%0.358SS..Iπ-helixtrans-90.4-31-17257.70000114.1Q117 V125Q117-T121 HydrophobicContact CG-CG2 4.48Å; Q117-T121 VanDerWaalsContact NE2-CG2 3.32Å; Q117-T121 PolarHBondContact O-N 3.22Å; Q117-T121 PolarHBondContact O-OG1 3.41Å; T121-V125 WeakPolarHBondContact O-CG2 3.37Å
122E80.5Confident76.7Confident104 Ų10471.8 Ų71.849%0.48638%0.378SS..Iπ-helixtrans-119.9-54.7-168.7-164.6-177.4135.800111.3W118 L124 N126W118-E122 PolarHBondContact NE1-OE1 3.23Å; W118-E122 VanDerWaalsContact NE1-OE1 3.09Å; W118-E122 PolarHBondContact NE1-OE2 2.93Å; W118-E122 WeakPolarHBondContact O-CB 3.43Å; W118-E122 PolarHBondContact O-N 3.12Å; E122-L124 PolarHBondContact O-N 3.21Å; E122-N126 WeakPolarHBondContact O-CB 3.3Å; E122-N126 PolarHBondContact O-N 2.98Å
123A76.8Confident76.5Confident8 Ų873.7 Ų73.77%0.06638%0.379CS..Iπ-helixtrans-69.5-41.2-169.300000113.4L78 W118 L119 N127L78-A123 HydrophobicContact CD1-CB 3.87Å; L78-A123 HydrophobicContact CD2-CB 3.97Å; L78-A123 HydrophobicContact CG-CB 4.48Å; W118-A123 HydrophobicContact CD2-CB 4.39Å; W118-A123 HydrophobicContact CE3-CB 4.02Å; W118-A123 HydrophobicContact CH2-CB 3.84Å; W118-A123 HydrophobicContact CZ2-CB 4.2Å; W118-A123 HydrophobicContact CZ3-CB 3.74Å; W118-A123 PolarHBondContact O-N 3.29Å; L119-A123 HydrophobicContact CD2-CB 3.89Å; A123-N127 WeakPolarHBondContact O-CB 3.43Å; A123-N127 PolarHBondContact O-N 3.09Å
124L73.4Confident75.9Confident3 Ų374 Ų742%0.01638%0.381CS..THydrogen-bonded Turntrans-79.4-30.2-179.2-64.7177.3000112.4L78 L99 L119 E122 I130 Y137L78-L124 HydrophobicContact CD1-CD2 4.27Å; L99-L124 HydrophobicContact CB-CD1 4.47Å; L99-L124 HydrophobicContact CD1-CD1 3.51Å; L119-L124 WeakPolarHBondContact O-CB 3.44Å; L119-L124 WeakPolarHBondContact O-CG 3.34Å; L119-L124 PolarHBondContact O-N 3.22Å; E122-L124 PolarHBondContact O-N 3.21Å; L124-I130 HydrophobicContact CD2-CD1 3.25Å; L124-Y137 HydrophobicContact CB-CD1 3.79Å; L124-Y137 HydrophobicContact CB-CE1 3.42Å; L124-Y137 VanDerWaalsContact CB-CE1 3.42Å; L124-Y137 HydrophobicContact CD1-CD1 3.66Å; L124-Y137 HydrophobicContact CD1-CD2 3.62Å; L124-Y137 HydrophobicContact CD1-CE1 3.46Å; L124-Y137 VanDerWaalsContact CD1-CE1 3.46Å; L124-Y137 HydrophobicContact CD1-CE2 3.43Å; L124-Y137 VanDerWaalsContact CD1-CE2 3.43Å; L124-Y137 HydrophobicContact CD1-CG 3.72Å; L124-Y137 HydrophobicContact CG-CD1 4.22Å; L124-Y137 HydrophobicContact CG-CE1 4.05Å
125V75.2Confident75.4Confident102 Ų10268.4 Ų68.462%0.61837%0.373SS*.THydrogen-bonded Turntrans-73.1-36.3175.9-178.70000111.2T121 N127T121-V125 WeakPolarHBondContact O-CG2 3.37Å; V125-N127 VanDerWaalsContact C-N 3.33Å
126N76.8Confident75.3Confident130 Ų13070.7 Ų70.770%0.69538%0.383SS*.SBendtrans-84.4-5-178.8-162.421.2000113.4E122 P128E122-N126 WeakPolarHBondContact O-CB 3.3Å; E122-N126 PolarHBondContact O-N 2.98Å; N126-P128 WeakPolarHBondContact O-CD 3.45Å
127N75.3Confident75.2Confident28 Ų2868.4 Ų68.415%0.1537%0.372CS..  trans-92.3113.5-176.4-168.9-15.8000111.6V82 A123 V125 K129 I130V82-N127 WeakPolarHBondContact CG2-ND2 3.32Å; A123-N127 WeakPolarHBondContact O-CB 3.43Å; A123-N127 PolarHBondContact O-N 3.09Å; V125-N127 VanDerWaalsContact C-N 3.33Å; N127-K129 PolarHBondContact O-N 2.92Å; N127-K129 WeakPolarHBondContact OD1-CB 3.39Å; N127-K129 PolarHBondContact OD1-N 3.36Å; N127-I130 HydrophobicContact CB-CB 4.48Å; N127-I130 HydrophobicContact CB-CD1 4.34Å; N127-I130 HydrophobicContact CB-CG1 4.34Å; N127-I130 PolarHBondContact O-N 3.35Å; N127-I130 VanDerWaalsContact O-N 3.12Å
128P71.9Confident74.9Confident111 Ų11163.5 Ų63.572%0.72135%0.351SS*.THydrogen-bonded Turntrans-66.8-11.9179.629.2-36.5000113.6N126N126-P128 WeakPolarHBondContact O-CD 3.45Å
129K69.8Low74.4Confident55 Ų5562.7 Ų62.724%0.23935%0.348CS..THydrogen-bonded Turntrans-90.15.2177-58.9-161.2176.2-153.40113.9N127 F139 K140 E173N127-K129 PolarHBondContact O-N 2.92Å; N127-K129 WeakPolarHBondContact OD1-CB 3.39Å; N127-K129 PolarHBondContact OD1-N 3.36Å; K129-F139 HydrophobicContact CB-CE2 4.19Å; K129-F139 HydrophobicContact CD-CE2 4.47Å; K129-K140 CarbonylContact C-O 3.53Å; K129-K140 WeakPolarHBondContact CA-O 3.44Å; K129-K140 PolarHBondContact O-N 2.93Å; K129-E173 IonicContact NZ-OE1 3.84Å; K129-E173 PolarHBondContact NZ-OE1 2.75Å; K129-E173 IonicContact NZ-OE2 2.74Å; K129-E173 PolarHBondContact NZ-OE2 3.13Å
130I75.8Confident74.2Confident14 Ų1467.6 Ų67.67%0.07237%0.37CS..EExtended strand (participates in β ladder)trans-126.7134.6-179.7-61.3-177.6000109V82 M85 L124 N127 Y137 A138V82-I130 HydrophobicContact CG2-CD1 4.18Å; M85-I130 HydrophobicContact SD-CD1 4.04Å; M85-I130 HydrophobicContact SD-CG1 4.45Å; L124-I130 HydrophobicContact CD2-CD1 3.25Å; N127-I130 HydrophobicContact CB-CB 4.48Å; N127-I130 HydrophobicContact CB-CD1 4.34Å; N127-I130 HydrophobicContact CB-CG1 4.34Å; N127-I130 PolarHBondContact O-N 3.35Å; N127-I130 VanDerWaalsContact O-N 3.12Å; I130-Y137 HydrophobicContact CG2-CD1 3.89Å; I130-Y137 HydrophobicContact CG2-CG 4.37Å; I130-A138 CarbonylContact C-O 3.48Å; I130-A138 WeakPolarHBondContact CA-O 3.35Å
131E74.4Confident73.9Confident95 Ų9563.3 Ų63.344%0.44435%0.349SS..EExtended strand (participates in β ladder)trans-106.5128.2173.3-170.7169.3-157.400108.7I133 A138 K140E131-I133 HydrophobicContact CG-CD1 4.29Å; E131-I133 HydrophobicContact CG-CG1 3.87Å; E131-A138 PolarHBondContact N-O 3.2Å; E131-A138 PolarHBondContact O-N 3.36Å; E131-K140 HydrophobicContact CB-CB 4.26Å
132V76.2Confident73.4Confident78 Ų7865.3 Ų65.347%0.47335%0.351SS..EExtended strand (participates in β ladder)trans-92.1106.5176.4-174.10000107.6K136 Y137V132-K136 CarbonylContact C-O 3.51Å; V132-K136 WeakPolarHBondContact CA-O 3.46Å; V132-Y137 HydrophobicContact CG1-CE1 4.36Å; V132-Y137 HydrophobicContact CG2-CD1 3.91Å; V132-Y137 HydrophobicContact CG2-CE1 3.8Å
133I72.2Confident72.8Confident74 Ų7463.1 Ų63.138%0.37934%0.339SS..EExtended strand (participates in β ladder)trans-111.4106.5177.5-54177.5000106.9P96 E131 G135 K136 A138P96-I133 HydrophobicContact CG-CB 4.4Å; P96-I133 HydrophobicContact CG-CD1 4.23Å; E131-I133 HydrophobicContact CG-CD1 4.29Å; E131-I133 HydrophobicContact CG-CG1 3.87Å; I133-G135 PolarHBondContact O-N 3.36Å; I133-K136 PolarHBondContact N-O 2.95Å; I133-K136 WeakPolarHBondContact O-CA 2.98Å; I133-K136 WeakPolarHBondContact O-CB 3.4Å; I133-K136 PolarHBondContact O-N 2.91Å; I133-A138 HydrophobicContact CD1-CB 4.07Å
134D64.3Low72.3Confident155 Ų15567.6 Ų67.683%0.82936%0.361SS*.THydrogen-bonded Turntrans51.748.5171.7-16235.5000114.5K136D134-K136 PolarHBondContact O-N 2.9Å
135G66.8Low72Confident56 Ų5667.6 Ų67.658%0.57736%0.362SS*.THydrogen-bonded Turntrans74.63-178.300000115I133I133-G135 PolarHBondContact O-N 3.36Å
136K75.8Confident71.6Confident82 Ų8270.9 Ų70.936%0.35736%0.363SS..EExtended strand (participates in β ladder)trans-108.9151.7171.6-56.6169.6-167.7-82.60110P96 L97 T98 V132 I133 D134P96-K136 HydrophobicContact CB-CB 3.35Å; P96-K136 HydrophobicContact CB-CD 3.88Å; P96-K136 HydrophobicContact CB-CG 4.26Å; L97-K136 CarbonylContact O-C 3.6Å; L97-K136 WeakPolarHBondContact O-CA 3.46Å; T98-K136 HydrophobicContact CG2-CG 4.18Å; V132-K136 CarbonylContact C-O 3.51Å; V132-K136 WeakPolarHBondContact CA-O 3.46Å; I133-K136 PolarHBondContact N-O 2.95Å; I133-K136 WeakPolarHBondContact O-CA 2.98Å; I133-K136 WeakPolarHBondContact O-CB 3.4Å; I133-K136 PolarHBondContact O-N 2.91Å; D134-K136 PolarHBondContact O-N 2.9Å
137Y75.4Confident71.4Confident13 Ų1368.7 Ų68.75%0.05135%0.352CS..EExtended strand (participates in β ladder)trans-106.8124.1-178-57.6-77.2000109.4M85 L97 L99 M120 L124 I130 V132M85-Y137 VanDerWaalsContact CE-O 3.26Å; M85-Y137 WeakPolarHBondContact CE-O 3.43Å; L97-Y137 PolarHBondContact N-O 2.99Å; L97-Y137 VanDerWaalsContact N-O 3.14Å; L97-Y137 PolarHBondContact O-N 3.21Å; L99-Y137 HydrophobicContact CB-CD2 4.06Å; L99-Y137 HydrophobicContact CB-CE2 3.77Å; M120-Y137 PolarHBondContact O-OH 2.98Å; L124-Y137 HydrophobicContact CB-CD1 3.79Å; L124-Y137 HydrophobicContact CB-CE1 3.42Å; L124-Y137 VanDerWaalsContact CB-CE1 3.42Å; L124-Y137 HydrophobicContact CD1-CD1 3.66Å; L124-Y137 HydrophobicContact CD1-CD2 3.62Å; L124-Y137 HydrophobicContact CD1-CE1 3.46Å; L124-Y137 VanDerWaalsContact CD1-CE1 3.46Å; L124-Y137 HydrophobicContact CD1-CE2 3.43Å; L124-Y137 VanDerWaalsContact CD1-CE2 3.43Å; L124-Y137 HydrophobicContact CD1-CG 3.72Å; L124-Y137 HydrophobicContact CG-CD1 4.22Å; L124-Y137 HydrophobicContact CG-CE1 4.05Å; I130-Y137 HydrophobicContact CG2-CD1 3.89Å; I130-Y137 HydrophobicContact CG2-CG 4.37Å; V132-Y137 HydrophobicContact CG1-CE1 4.36Å; V132-Y137 HydrophobicContact CG2-CD1 3.91Å; V132-Y137 HydrophobicContact CG2-CE1 3.8Å
138A75.1Confident71.3Confident9 Ų971.4 Ų71.47%0.07436%0.362CS..EExtended strand (participates in β ladder)trans-114.9150.3173.300000110.2M85 P96 I130 E131 I133 K140M85-A138 VanDerWaalsContact CE-C 3.4Å; P96-A138 HydrophobicContact CB-CB 4.37Å; P96-A138 HydrophobicContact CG-CB 4.37Å; I130-A138 CarbonylContact C-O 3.48Å; I130-A138 WeakPolarHBondContact CA-O 3.35Å; E131-A138 PolarHBondContact N-O 3.2Å; E131-A138 PolarHBondContact O-N 3.36Å; I133-A138 HydrophobicContact CD1-CB 4.07Å; A138-K140 PolarHBondContact O-N 3.35Å
139F74.6Confident71.7Confident19 Ų1973.8 Ų73.88%0.08336%0.361CS..EExtended strand (participates in β ladder)trans-76.8125.7176.7-173.9-107.4000109.9V82 M85 K86 H89 K129 P141 E173V82-F139 HydrophobicContact CG1-CE2 4.25Å; M85-F139 HydrophobicContact CB-CB 4.17Å; M85-F139 HydrophobicContact CB-CD2 4.19Å; M85-F139 HydrophobicContact CE-CB 4.44Å; K86-F139 HydrophobicContact CB-CE1 4.43Å; K86-F139 HydrophobicContact CB-CE2 4.08Å; K86-F139 HydrophobicContact CB-CZ 4.01Å; K86-F139 HydrophobicContact CG-CE1 4.38Å; K86-F139 HydrophobicContact CG-CZ 4.12Å; H89-F139 HydrophobicContact CB-CB 4.22Å; H89-F139 HydrophobicContact CB-CD1 3.77Å; H89-F139 HydrophobicContact CB-CG 4.31Å; H89-F139 AromaticContact CG-CD1 3.73Å; K129-F139 HydrophobicContact CB-CE2 4.19Å; K129-F139 HydrophobicContact CD-CE2 4.47Å; F139-P141 HydrophobicContact CD1-CB 4.43Å; F139-P141 HydrophobicContact CE1-CB 4.01Å; F139-P141 VanDerWaalsContact O-CD 3.26Å; F139-P141 WeakPolarHBondContact O-CD 3.43Å; F139-E173 HydrophobicContact CE1-CG 4.03Å; F139-E173 HydrophobicContact CZ-CG 3.97Å; F139-E173 WeakPolarHBondContact CZ-OE1 3.33Å
140K73.9Confident72.3Confident106 Ų10672.8 Ų72.846%0.46136%0.363SS..  trans-102.996.9174.3-171.3174.7-177.8173.10109.2K129 E131 A138K129-K140 CarbonylContact C-O 3.53Å; K129-K140 WeakPolarHBondContact CA-O 3.44Å; K129-K140 PolarHBondContact O-N 2.93Å; E131-K140 HydrophobicContact CB-CB 4.26Å; A138-K140 PolarHBondContact O-N 3.35Å
141P70.8Confident72.6Confident9 Ų972.1 Ų72.16%0.05836%0.36CS..  trans-62.515017128.3-34.7000109.7F139 Y143 A174F139-P141 HydrophobicContact CD1-CB 4.43Å; F139-P141 HydrophobicContact CE1-CB 4.01Å; F139-P141 VanDerWaalsContact O-CD 3.26Å; F139-P141 WeakPolarHBondContact O-CD 3.43Å; P141-Y143 WeakPolarHBondContact CB-O 3.39Å; P141-Y143 WeakPolarHBondContact CG-O 3.41Å; P141-Y143 PolarHBondContact O-N 2.92Å; P141-Y143 VanDerWaalsContact O-N 3.09Å; P141-A174 HydrophobicContact CB-CB 4.01Å
142K66.5Low73Confident120 Ų12069.7 Ų69.752%0.52235%0.35SS..SBendtrans-53.5-33.3177.6-68.3-179.8-176.9174.70112.4D170K142-D170 WeakPolarHBondContact CD-OD1 3.45Å; K142-D170 IonicContact NZ-OD1 2.86Å; K142-D170 PolarHBondContact NZ-OD1 3.44Å; K142-D170 IonicContact NZ-OD2 3.56Å
143Y67.8Low73.4Confident59 Ų5974.4 Ų74.423%0.23136%0.359CS..SBendtrans-122.6124.8172.8-60.7-71.6000108.9P141 V145 L154 H158 I166 D170 A174P141-Y143 WeakPolarHBondContact CB-O 3.39Å; P141-Y143 WeakPolarHBondContact CG-O 3.41Å; P141-Y143 PolarHBondContact O-N 2.92Å; P141-Y143 VanDerWaalsContact O-N 3.09Å; Y143-V145 PolarHBondContact O-N 3.24Å; Y143-L154 HydrophobicContact CD1-CD1 4.11Å; Y143-L154 HydrophobicContact CD1-CD2 3.58Å; Y143-L154 HydrophobicContact CD1-CG 4.42Å; Y143-L154 HydrophobicContact CE1-CD2 4.29Å; Y143-L154 HydrophobicContact CG-CD2 3.8Å; Y143-H158 AromaticContact CE1-NE2 3.71Å; Y143-I166 HydrophobicContact CD2-CG2 4.01Å; Y143-I166 HydrophobicContact CE1-CD1 4.38Å; Y143-I166 HydrophobicContact CE2-CG2 3.53Å; Y143-D170 HydrophobicContact CD2-CB 3.9Å; Y143-D170 HydrophobicContact CE2-CB 3.78Å; Y143-A174 WeakPolarHBondContact O-CB 3.26Å
144N65.5Low74Confident101 Ų10172.1 Ų72.154%0.5435%0.347SS..  trans-82.363.9174.6-17522.7000110.1R146N144-R146 PolarHBondContact OD1-NE 3.16Å
145V68.9Low74.9Confident4 Ų464.9 Ų64.92%0.02431%0.308CS..  trans-98.5103175.4-71.10000109.7Y143 A150 L154 A174Y143-V145 PolarHBondContact O-N 3.24Å; V145-A150 HydrophobicContact CG1-CB 4.47Å; V145-L154 HydrophobicContact CG1-CB 4.09Å; V145-L154 HydrophobicContact CG1-CD2 3.52Å; V145-L154 HydrophobicContact CG1-CG 4.42Å; V145-A174 HydrophobicContact CG2-CB 3.32Å
146R65.6Low75.8Confident170 Ų17064.7 Ų64.764%0.64229%0.294SS*.  trans-97.5-13.6178.6-57.3-176.2-158165.5-0.2113.6N144 L175N144-R146 PolarHBondContact OD1-NE 3.16Å; R146-L175 VanDerWaalsContact O-CD1 3.24Å; R146-L175 WeakPolarHBondContact O-CD1 3.26Å
147D72.4Confident76.2Confident85 Ų8564.8 Ų64.846%0.45530%0.296SS..SBendtrans-139.3155.9-173-171.524.1000112.2K149 A150 L151D147-K149 PolarHBondContact O-N 3.37Å; D147-A150 HydrophobicContact CB-CB 4.24Å; D147-A150 WeakPolarHBondContact O-CB 3.37Å; D147-A150 PolarHBondContact O-N 2.97Å; D147-L151 PolarHBondContact O-N 2.98Å
148K73.9Confident76.6Confident84 Ų8465.2 Ų65.237%0.36530%0.298SS..Hα-helixtrans-52.7-42.8172.4159.5162-160.5-158.20111.6L151 L152 A184 L185K148-L151 PolarHBondContact O-N 3.49Å; K148-L152 PolarHBondContact O-N 3.23Å; K148-A184 HydrophobicContact CD-CB 4.3Å; K148-A184 WeakPolarHBondContact CE-O 3.43Å; K148-A184 VanDerWaalsContact NZ-C 3.33Å; K148-A184 PolarHBondContact NZ-O 3.44Å; K148-L185 HydrophobicContact CB-CD1 4.17Å; K148-L185 HydrophobicContact CD-CD1 3.84Å; K148-L185 HydrophobicContact CD-CG 4.23Å; K148-L185 VanDerWaalsContact CE-CG 3.4Å; K148-L185 HydrophobicContact CG-CD1 3.46Å; K148-L185 VanDerWaalsContact CG-CD1 3.46Å; K148-L185 HydrophobicContact CG-CD2 4.47Å; K148-L185 HydrophobicContact CG-CG 4.01Å
149K80.3Confident77Confident161 Ų16168.8 Ų68.870%0.732%0.316SS*.Hα-helixtrans-69.8-35.4177.5-66.8-177.8177.8-179.40112.3D147 L151 L152 R153D147-K149 PolarHBondContact O-N 3.37Å; K149-L151 VanDerWaalsContact C-N 3.33Å; K149-L152 PolarHBondContact O-N 2.89Å; K149-R153 WeakPolarHBondContact O-CB 3.44Å; K149-R153 PolarHBondContact O-N 3.26Å
150A82.3Confident77.5Confident35 Ų3574.5 Ų74.529%0.28934%0.343SS..Hα-helixtrans-66.2-37.8175.900000111.3V145 D147 R153 L154V145-A150 HydrophobicContact CG1-CB 4.47Å; D147-A150 HydrophobicContact CB-CB 4.24Å; D147-A150 WeakPolarHBondContact O-CB 3.37Å; D147-A150 PolarHBondContact O-N 2.97Å; A150-R153 PolarHBondContact O-N 2.89Å; A150-L154 WeakPolarHBondContact O-CB 3.26Å; A150-L154 PolarHBondContact O-N 3.23Å
151L81.7Confident78Confident0 Ų078.1 Ų78.10%035%0.354CS..Hα-helixtrans-62.4-46.1173.3178.761000111.8D147 K148 K149 R153 L154 L155 I171 V182 L185 I189D147-L151 PolarHBondContact O-N 2.98Å; K148-L151 PolarHBondContact O-N 3.49Å; K149-L151 VanDerWaalsContact C-N 3.33Å; L151-R153 PolarHBondContact O-N 3.05Å; L151-L154 PolarHBondContact O-N 3.04Å; L151-L155 HydrophobicContact CD1-CD1 4.27Å; L151-L155 HydrophobicContact CD1-CG 4.31Å; L151-L155 HydrophobicContact CG-CD1 4.21Å; L151-L155 WeakPolarHBondContact O-CG 3.5Å; L151-L155 PolarHBondContact O-N 2.98Å; L151-I171 HydrophobicContact CD1-CD1 3.63Å; L151-I171 HydrophobicContact CD1-CG1 3.96Å; L151-I171 HydrophobicContact CD1-CG2 4.02Å; L151-I171 HydrophobicContact CD2-CG2 4.2Å; L151-V182 HydrophobicContact CD2-CG2 4.03Å; L151-L185 HydrophobicContact CD2-CD1 4.31Å; L151-I189 HydrophobicContact CD2-CD1 4.41Å
152L82.9Confident78.5Confident44 Ų4480.8 Ų80.823%0.2338%0.383CS..Hα-helixtrans-60.9-46177.3-171.363.6000111.8K148 K149 L154 L155 D156 L185 Q188 F203K148-L152 PolarHBondContact O-N 3.23Å; K149-L152 PolarHBondContact O-N 2.89Å; L152-L154 VanDerWaalsContact C-N 3.29Å; L152-L154 PolarHBondContact O-N 3.32Å; L152-L155 PolarHBondContact O-N 3.21Å; L152-D156 WeakPolarHBondContact O-CB 3.2Å; L152-D156 PolarHBondContact O-N 3.11Å; L152-L185 HydrophobicContact CB-CD2 3.79Å; L152-L185 HydrophobicContact CD1-CD2 3.83Å; L152-L185 HydrophobicContact CG-CD2 4.26Å; L152-Q188 HydrophobicContact CD1-CB 3.88Å; L152-Q188 HydrophobicContact CD1-CG 4.42Å; L152-F203 HydrophobicContact CD1-CD2 4.02Å; L152-F203 HydrophobicContact CD1-CE2 3.6Å; L152-F203 HydrophobicContact CG-CE2 4.32Å
153R85.2Confident79Confident176 Ų17679.6 Ų79.666%0.66438%0.382SS*.Hα-helixtrans-63.5-36.2178.8-171.6175.7-177165.82.1112.1K149 A150 L151 Q157K149-R153 WeakPolarHBondContact O-CB 3.44Å; K149-R153 PolarHBondContact O-N 3.26Å; A150-R153 PolarHBondContact O-N 2.89Å; L151-R153 PolarHBondContact O-N 3.05Å; R153-Q157 WeakPolarHBondContact O-CB 3.23Å; R153-Q157 VanDerWaalsContact O-CG 3.3Å; R153-Q157 WeakPolarHBondContact O-CG 3.42Å; R153-Q157 PolarHBondContact O-N 3.05Å
154L84.7Confident79.6Confident27 Ų2778.5 Ų78.514%0.14139%0.388CS..Hα-helixtrans-66-45.6174.9-17967.5000110.9Y143 V145 A150 L151 L152 Q157 H158 I166Y143-L154 HydrophobicContact CD1-CD1 4.11Å; Y143-L154 HydrophobicContact CD1-CD2 3.58Å; Y143-L154 HydrophobicContact CD1-CG 4.42Å; Y143-L154 HydrophobicContact CE1-CD2 4.29Å; Y143-L154 HydrophobicContact CG-CD2 3.8Å; V145-L154 HydrophobicContact CG1-CB 4.09Å; V145-L154 HydrophobicContact CG1-CD2 3.52Å; V145-L154 HydrophobicContact CG1-CG 4.42Å; A150-L154 WeakPolarHBondContact O-CB 3.26Å; A150-L154 PolarHBondContact O-N 3.23Å; L151-L154 PolarHBondContact O-N 3.04Å; L152-L154 VanDerWaalsContact C-N 3.29Å; L152-L154 PolarHBondContact O-N 3.32Å; L154-Q157 PolarHBondContact O-N 3.12Å; L154-H158 WeakPolarHBondContact O-CB 3.29Å; L154-H158 PolarHBondContact O-CD2 2.81Å; L154-H158 VanDerWaalsContact O-CD2 3.24Å; L154-H158 PolarHBondContact O-N 3.3Å; L154-I166 HydrophobicContact CD2-CD1 3.52Å; L154-I166 HydrophobicContact CG-CD1 3.69Å
155L83.1Confident80.2Confident2 Ų275 Ų751%0.0138%0.376CS..Hα-helixtrans-63.4-42177.7-70.6172.8000111.9L151 L152 H158 D159 I166 I189 L201 F203L151-L155 HydrophobicContact CD1-CD1 4.27Å; L151-L155 HydrophobicContact CD1-CG 4.31Å; L151-L155 HydrophobicContact CG-CD1 4.21Å; L151-L155 WeakPolarHBondContact O-CG 3.5Å; L151-L155 PolarHBondContact O-N 2.98Å; L152-L155 PolarHBondContact O-N 3.21Å; L155-H158 WeakPolarHBondContact O-CB 3.36Å; L155-H158 PolarHBondContact O-N 3.32Å; L155-D159 PolarHBondContact O-N 2.93Å; L155-I166 HydrophobicContact CD2-CB 4.5Å; L155-I166 HydrophobicContact CD2-CD1 3.95Å; L155-I166 HydrophobicContact CD2-CG1 4.24Å; L155-I189 HydrophobicContact CD1-CD1 3.8Å; L155-I189 HydrophobicContact CD1-CG1 3.81Å; L155-I189 HydrophobicContact CD1-CG2 4.32Å; L155-L201 HydrophobicContact CD2-CB 4.43Å; L155-F203 HydrophobicContact CB-CB 4.05Å; L155-F203 HydrophobicContact CB-CD2 4.07Å
156D84.9Confident80.9Confident53 Ų5374.8 Ų74.828%0.28338%0.375SS..Hα-helixtrans-61.2-44.9174.317833.5000111.8L152 H158 D159 Q160 F203L152-D156 WeakPolarHBondContact O-CB 3.2Å; L152-D156 PolarHBondContact O-N 3.11Å; D156-H158 VanDerWaalsContact C-N 3.29Å; D156-H158 PolarHBondContact O-N 3.01Å; D156-D159 PolarHBondContact O-N 3.12Å; D156-Q160 VanDerWaalsContact CG-NE2 3.27Å; D156-Q160 WeakPolarHBondContact O-CG 3.24Å; D156-Q160 PolarHBondContact O-N 3.24Å; D156-Q160 PolarHBondContact OD1-NE2 3.23Å; D156-Q160 PolarHBondContact OD2-NE2 3.03Å; D156-F203 HydrophobicContact CB-CD2 4.27Å; D156-F203 HydrophobicContact CB-CE2 4.04Å; D156-F203 HydrophobicContact CB-CZ 4.37Å
157Q85.1Confident81.8Confident84 Ų8468.4 Ų68.439%0.39335%0.353SS..Hα-helixtrans-62.9-35.6173.7-77.2-178.6-300113.1R153 L154 D159 R161R153-Q157 WeakPolarHBondContact O-CB 3.23Å; R153-Q157 VanDerWaalsContact O-CG 3.3Å; R153-Q157 WeakPolarHBondContact O-CG 3.42Å; R153-Q157 PolarHBondContact O-N 3.05Å; L154-Q157 PolarHBondContact O-N 3.12Å; Q157-D159 VanDerWaalsContact C-N 3.33Å; Q157-R161 VanDerWaalsContact O-CB 3.23Å; Q157-R161 WeakPolarHBondContact O-CB 3.32Å; Q157-R161 WeakPolarHBondContact O-CG 3.44Å; Q157-R161 PolarHBondContact O-N 3.42Å; Q157-R161 VanDerWaalsContact O-N 3.08Å
158H84Confident82.2Confident21 Ų2165.4 Ų65.410%0.09734%0.337CS..Hα-helixtrans-66.4-37.9176.5-96.1-103.4000111.8Y143 L154 L155 D156 G162 L163 G164Y143-H158 AromaticContact CE1-NE2 3.71Å; L154-H158 WeakPolarHBondContact O-CB 3.29Å; L154-H158 PolarHBondContact O-CD2 2.81Å; L154-H158 VanDerWaalsContact O-CD2 3.24Å; L154-H158 PolarHBondContact O-N 3.3Å; L155-H158 WeakPolarHBondContact O-CB 3.36Å; L155-H158 PolarHBondContact O-N 3.32Å; D156-H158 VanDerWaalsContact C-N 3.29Å; D156-H158 PolarHBondContact O-N 3.01Å; H158-G162 CarbonylContact O-C 3.24Å; H158-G162 PolarHBondContact O-N 3.12Å; H158-L163 PolarHBondContact O-N 2.91Å; H158-G164 PolarHBondContact ND1-O 2.96Å; H158-G164 VanDerWaalsContact ND1-O 3.11Å
159D83.1Confident82.5Confident84 Ų8465.8 Ų65.845%0.44934%0.34SS..Hα-helixtrans-69.9-51.6176.9-16741.2000111.5L155 D156 Q157 R161 G162 F203L155-D159 PolarHBondContact O-N 2.93Å; D156-D159 PolarHBondContact O-N 3.12Å; Q157-D159 VanDerWaalsContact C-N 3.33Å; D159-R161 PolarHBondContact O-N 3.32Å; D159-R161 VanDerWaalsContact O-N 3.16Å; D159-G162 PolarHBondContact O-N 3.21Å; D159-F203 HydrophobicContact CB-CB 4.01Å; D159-F203 HydrophobicContact CB-CD1 4.19Å; D159-F203 HydrophobicContact CB-CG 4.4Å
160Q84.1Confident82.6Confident139 Ų13959.3 Ų59.365%0.6531%0.313SS*.Hα-helixtrans-58.4-33.2177.9-70.217618.800113.3D156D156-Q160 VanDerWaalsContact CG-NE2 3.27Å; D156-Q160 WeakPolarHBondContact O-CG 3.24Å; D156-Q160 PolarHBondContact O-N 3.24Å; D156-Q160 PolarHBondContact OD1-NE2 3.23Å; D156-Q160 PolarHBondContact OD2-NE2 3.03Å
161R85.3Confident82.5Confident183 Ų18357.6 Ų57.669%0.69130%0.299SS*.THydrogen-bonded Turntrans-91.9-5.8179.1-63.818069.8-174.81.5113.3Q157 D159 L163Q157-R161 VanDerWaalsContact O-CB 3.23Å; Q157-R161 WeakPolarHBondContact O-CB 3.32Å; Q157-R161 WeakPolarHBondContact O-CG 3.44Å; Q157-R161 PolarHBondContact O-N 3.42Å; Q157-R161 VanDerWaalsContact O-N 3.08Å; D159-R161 PolarHBondContact O-N 3.32Å; D159-R161 VanDerWaalsContact O-N 3.16Å; R161-L163 HydrophobicContact CB-CD1 3.78Å; R161-L163 HydrophobicContact CB-CG 3.83Å; R161-L163 PolarHBondContact O-N 2.95Å
162G81.1Confident82.2Confident64 Ų6462.2 Ų62.266%0.6632%0.321SS*.THydrogen-bonded Turntrans62.227.4-176.200000113.9H158 D159 G164H158-G162 CarbonylContact O-C 3.24Å; H158-G162 PolarHBondContact O-N 3.12Å; D159-G162 PolarHBondContact O-N 3.21Å; G162-G164 PolarHBondContact O-N 2.88Å
163L77.3Confident82Confident95 Ų9560.6 Ų60.650%0.49731%0.312SS..  trans-77.4-0.2-179-69.3166.5000112.8H158 R161H158-L163 PolarHBondContact O-N 2.91Å; R161-L163 HydrophobicContact CB-CD1 3.78Å; R161-L163 HydrophobicContact CB-CG 3.83Å; R161-L163 PolarHBondContact O-N 2.95Å
164G79.5Confident81.3Confident36 Ų3652.3 Ų52.337%0.37128%0.281SS..  trans76.1-171.2-179.900000113.4H158 G162H158-G164 PolarHBondContact ND1-O 2.96Å; H158-G164 VanDerWaalsContact ND1-O 3.11Å; G162-G164 PolarHBondContact O-N 2.88Å
165G79.9Confident80.5Confident27 Ų2751.7 Ų51.728%0.27828%0.278SS..PPolyproline II helixtrans-83.4157.3-174.900000113.5L201 F202G165-L201 CarbonylContact C-O 3.53Å; G165-L201 WeakPolarHBondContact CA-O 3.39Å; G165-F202 VanDerWaalsContact CA-CE1 3.43Å
166I82.8Confident79.8Confident1 Ų154.2 Ų54.21%0.00529%0.294CS..EExtended strand (participates in β ladder)trans-101138.6-178.4-55.8176.1000109.3Y143 L154 L155 D170 I171 L201Y143-I166 HydrophobicContact CD2-CG2 4.01Å; Y143-I166 HydrophobicContact CE1-CD1 4.38Å; Y143-I166 HydrophobicContact CE2-CG2 3.53Å; L154-I166 HydrophobicContact CD2-CD1 3.52Å; L154-I166 HydrophobicContact CG-CD1 3.69Å; L155-I166 HydrophobicContact CD2-CB 4.5Å; L155-I166 HydrophobicContact CD2-CD1 3.95Å; L155-I166 HydrophobicContact CD2-CG1 4.24Å; I166-D170 HydrophobicContact CG2-CB 4.32Å; I166-I171 HydrophobicContact CB-CD1 3.84Å; I166-I171 HydrophobicContact CB-CG1 4.5Å; I166-I171 HydrophobicContact CG2-CD1 3.55Å; I166-I171 HydrophobicContact CG2-CG1 3.68Å; I166-L201 PolarHBondContact N-O 2.88Å; I166-L201 PolarHBondContact O-N 3.37Å
167L84.5Confident79Confident36 Ų3656.6 Ų56.619%0.18831%0.307CS..EExtended strand (participates in β ladder)trans-72.2139.5178.1-148.565.7000110.6E169 D170 I171 K198 I200L167-E169 HydrophobicContact CD2-CB 4.42Å; L167-E169 PolarHBondContact O-N 2.76Å; L167-D170 PolarHBondContact O-N 3.29Å; L167-I171 PolarHBondContact O-N 3.39Å; L167-K198 HydrophobicContact CD1-CB 4.19Å; L167-K198 HydrophobicContact CD2-CD 4.22Å; L167-I200 HydrophobicContact CD1-CG1 3.68Å
168L81.5Confident78.3Confident21 Ų2152.7 Ų52.711%0.1129%0.289CS..Hα-helixtrans-58.3-35.3178.8-179.166.5000112.5D170 I171 E172 K199 L201L168-D170 VanDerWaalsContact C-N 3.29Å; L168-D170 PolarHBondContact O-N 2.88Å; L168-I171 PolarHBondContact O-N 2.89Å; L168-E172 WeakPolarHBondContact O-CB 3.31Å; L168-E172 PolarHBondContact O-N 2.97Å; L168-K199 HydrophobicContact CB-CB 4.16Å; L168-K199 VanDerWaalsContact CB-O 3.31Å; L168-K199 WeakPolarHBondContact CB-O 3.37Å; L168-K199 HydrophobicContact CD2-CB 4.01Å; L168-K199 HydrophobicContact CD2-CD 4.1Å; L168-K199 HydrophobicContact CD2-CG 4.49Å; L168-K199 PolarHBondContact N-O 2.88Å; L168-L201 HydrophobicContact CB-CD1 4.42Å; L168-L201 HydrophobicContact CD1-CD1 3.68Å; L168-L201 HydrophobicContact CD1-CG 4.45Å
169E80.1Confident77.9Confident93 Ų9355.6 Ų55.644%0.43530%0.303SS..Hα-helixtrans-60.1-38.3176.5-64.8173-168.900112.1L167 I171 E173 K198L167-E169 HydrophobicContact CD2-CB 4.42Å; L167-E169 PolarHBondContact O-N 2.76Å; E169-I171 VanDerWaalsContact C-N 3.33Å; E169-E173 WeakPolarHBondContact O-CB 3.36Å; E169-E173 PolarHBondContact O-N 3.08Å; E169-K198 VanDerWaalsContact CD-NZ 3.34Å; E169-K198 WeakPolarHBondContact OE1-CE 3.01Å; E169-K198 IonicContact OE1-NZ 3.95Å; E169-K198 PolarHBondContact OE1-NZ 2.48Å; E169-K198 IonicContact OE2-NZ 3.24Å; E169-K198 PolarHBondContact OE2-NZ 2.91Å
170D81.6Confident77.7Confident24 Ų2458.5 Ų58.513%0.12831%0.311CS..Hα-helixtrans-73.8-28.5-179.6-65.6-36.5000111.3K142 Y143 I166 L167 L168 A174K142-D170 WeakPolarHBondContact CD-OD1 3.45Å; K142-D170 IonicContact NZ-OD1 2.86Å; K142-D170 PolarHBondContact NZ-OD1 3.44Å; K142-D170 IonicContact NZ-OD2 3.56Å; Y143-D170 HydrophobicContact CD2-CB 3.9Å; Y143-D170 HydrophobicContact CE2-CB 3.78Å; I166-D170 HydrophobicContact CG2-CB 4.32Å; L167-D170 PolarHBondContact O-N 3.29Å; L168-D170 VanDerWaalsContact C-N 3.29Å; L168-D170 PolarHBondContact O-N 2.88Å; D170-A174 PolarHBondContact O-N 2.89Å
171I79.6Confident77.3Confident0 Ų052.5 Ų52.50%029%0.285CS..Hα-helixtrans-79.9-35.4175.4-70.5164.1000111.2L151 I166 L167 L168 E169 E173 A174 L175 L201L151-I171 HydrophobicContact CD1-CD1 3.63Å; L151-I171 HydrophobicContact CD1-CG1 3.96Å; L151-I171 HydrophobicContact CD1-CG2 4.02Å; L151-I171 HydrophobicContact CD2-CG2 4.2Å; I166-I171 HydrophobicContact CB-CD1 3.84Å; I166-I171 HydrophobicContact CB-CG1 4.5Å; I166-I171 HydrophobicContact CG2-CD1 3.55Å; I166-I171 HydrophobicContact CG2-CG1 3.68Å; L167-I171 PolarHBondContact O-N 3.39Å; L168-I171 PolarHBondContact O-N 2.89Å; E169-I171 VanDerWaalsContact C-N 3.33Å; I171-E173 VanDerWaalsContact C-N 3.31Å; I171-A174 PolarHBondContact O-N 3.34Å; I171-L175 PolarHBondContact O-N 2.85Å; I171-L201 HydrophobicContact CB-CD1 4.42Å; I171-L201 HydrophobicContact CD1-CB 4.21Å; I171-L201 HydrophobicContact CD1-CD1 3.28Å; I171-L201 HydrophobicContact CD1-CG 4.31Å; I171-L201 HydrophobicContact CG1-CD1 4.4Å
172E76.3Confident77.1Confident97 Ų9743.9 Ų43.945%0.45325%0.253SS..Hα-helixtrans-68.8-28.8171.9-174.3173.4-167.100112.8Q90 L168 A174Q90-E172 PolarHBondContact NE2-O 3.09Å; L168-E172 WeakPolarHBondContact O-CB 3.31Å; L168-E172 PolarHBondContact O-N 2.97Å; E172-A174 VanDerWaalsContact C-N 3.32Å
173E77.3Confident77Confident10 Ų1048.9 Ų48.95%0.04726%0.256CS..Hα-helixtrans-68-33.1170.2178.1162-126.300112.3K129 F139 E169 I171K129-E173 IonicContact NZ-OE1 3.84Å; K129-E173 PolarHBondContact NZ-OE1 2.75Å; K129-E173 IonicContact NZ-OE2 2.74Å; K129-E173 PolarHBondContact NZ-OE2 3.13Å; F139-E173 HydrophobicContact CE1-CG 4.03Å; F139-E173 HydrophobicContact CZ-CG 3.97Å; F139-E173 WeakPolarHBondContact CZ-OE1 3.33Å; E169-E173 WeakPolarHBondContact O-CB 3.36Å; E169-E173 PolarHBondContact O-N 3.08Å; I171-E173 VanDerWaalsContact C-N 3.31Å
174A70.4Confident77.3Confident1 Ų147.1 Ų47.11%0.00826%0.256CS..Hα-helixtrans-88-40.4-175.600000114.5H89 P141 Y143 V145 D170 I171 E172H89-A174 PolarHBondContact NE2-O 3.46Å; P141-A174 HydrophobicContact CB-CB 4.01Å; Y143-A174 WeakPolarHBondContact O-CB 3.26Å; V145-A174 HydrophobicContact CG2-CB 3.32Å; D170-A174 PolarHBondContact O-N 2.89Å; I171-A174 PolarHBondContact O-N 3.34Å; E172-A174 VanDerWaalsContact C-N 3.32Å
175L69.5Low77.2Confident15 Ų1545.6 Ų45.68%0.07924%0.239CC..SBendtrans-121116.8-172.6-171.472.1000110.9R146 I171 N177 S178 A181R146-L175 VanDerWaalsContact O-CD1 3.24Å; R146-L175 WeakPolarHBondContact O-CD1 3.26Å; I171-L175 PolarHBondContact O-N 2.85Å; L175-N177 PolarHBondContact O-N 3.17Å; L175-S178 PolarHBondContact O-N 3.32Å; L175-A181 HydrophobicContact CD2-CB 3.64Å
176P67.8Low76.9Confident54 Ų5445.8 Ų45.835%0.35124%0.241SC..THydrogen-bonded Turntrans-65.9128.9165.725.2-28.2000109.7Q90Q90-P176 HydrophobicContact CB-CB 4.33Å; Q90-P176 WeakPolarHBondContact O-CB 3.2Å; Q90-P176 WeakPolarHBondContact O-CG 3.43Å
177N67.9Low76.7Confident103 Ų10350.2 Ų50.255%0.55127%0.265SS*.THydrogen-bonded Turntrans75.433.2-172.4-146.81.2000115.6L175 Q179 K180 A181L175-N177 PolarHBondContact O-N 3.17Å; N177-Q179 PolarHBondContact O-N 2.88Å; N177-Q179 VanDerWaalsContact O-N 3.17Å; N177-K180 VanDerWaalsContact CG-CB 3.43Å; N177-K180 WeakPolarHBondContact ND2-CD 3.36Å; N177-K180 PolarHBondContact O-N 2.68Å; N177-K180 VanDerWaalsContact O-N 3.08Å; N177-K180 WeakPolarHBondContact OD1-CB 3.37Å; N177-A181 PolarHBondContact O-N 2.79Å; N177-A181 VanDerWaalsContact O-N 3.1Å
178S70.9Confident76.4Confident3 Ų351.6 Ų51.62%0.02127%0.27CS..Hα-helixtrans-46.5-41.2169.760.80000112.9L175 K180 A181 V182L175-S178 PolarHBondContact O-N 3.32Å; S178-K180 PolarHBondContact O-N 2.74Å; S178-A181 PolarHBondContact O-N 3.06Å; S178-V182 WeakPolarHBondContact O-CB 3.43Å; S178-V182 WeakPolarHBondContact O-CG2 3.35Å; S178-V182 PolarHBondContact O-N 2.88Å
179Q75.2Confident76.5Confident82 Ų8250.9 Ų50.938%0.38327%0.266SS..Hα-helixtrans-60-44.6178.8-66-62.1-47.800113.2N177 K183N177-Q179 PolarHBondContact O-N 2.88Å; N177-Q179 VanDerWaalsContact O-N 3.17Å; Q179-K183 WeakPolarHBondContact O-CB 3.36Å; Q179-K183 VanDerWaalsContact O-CG 3.26Å; Q179-K183 WeakPolarHBondContact O-CG 3.47Å; Q179-K183 PolarHBondContact O-N 3.19Å
180K79.3Confident76.6Confident145 Ų14550.5 Ų50.563%0.6327%0.267SS*.Hα-helixtrans-70.5-39.8178-173.7179.9-177.7-179.80111.2N177 S178 A184N177-K180 VanDerWaalsContact CG-CB 3.43Å; N177-K180 WeakPolarHBondContact ND2-CD 3.36Å; N177-K180 PolarHBondContact O-N 2.68Å; N177-K180 VanDerWaalsContact O-N 3.08Å; N177-K180 WeakPolarHBondContact OD1-CB 3.37Å; S178-K180 PolarHBondContact O-N 2.74Å; K180-A184 VanDerWaalsContact O-CB 3.23Å; K180-A184 WeakPolarHBondContact O-CB 3.27Å; K180-A184 PolarHBondContact O-N 2.88Å
181A75.6Confident76.8Confident12 Ų1254.4 Ų54.410%0.09928%0.283CS..Hα-helixtrans-60.4-54.6175.700000110.3L175 N177 S178 K183 A184 L185L175-A181 HydrophobicContact CD2-CB 3.64Å; N177-A181 PolarHBondContact O-N 2.79Å; N177-A181 VanDerWaalsContact O-N 3.1Å; S178-A181 PolarHBondContact O-N 3.06Å; A181-K183 PolarHBondContact O-N 2.87Å; A181-A184 CarbonylContact O-C 3.6Å; A181-A184 WeakPolarHBondContact O-CA 3.5Å; A181-A184 WeakPolarHBondContact O-CB 3.43Å; A181-A184 PolarHBondContact O-N 3.1Å; A181-L185 HydrophobicContact CB-CD1 4.36Å; A181-L185 WeakPolarHBondContact O-CD1 3.26Å; A181-L185 PolarHBondContact O-N 3.45Å
182V80.1Confident77Confident2 Ų257.6 Ų57.61%0.01230%0.302CS..Hα-helixtrans-59.5-44.1-180177.80000111.3L151 S178 A184 L185 G186 I189 F191 L201L151-V182 HydrophobicContact CD2-CG2 4.03Å; S178-V182 WeakPolarHBondContact O-CB 3.43Å; S178-V182 WeakPolarHBondContact O-CG2 3.35Å; S178-V182 PolarHBondContact O-N 2.88Å; V182-A184 VanDerWaalsContact C-N 3.32Å; V182-A184 PolarHBondContact O-N 3.1Å; V182-L185 CarbonylContact O-C 3.59Å; V182-L185 PolarHBondContact O-N 2.91Å; V182-L185 VanDerWaalsContact O-N 3.12Å; V182-G186 WeakPolarHBondContact O-CA 3.49Å; V182-G186 PolarHBondContact O-N 3.49Å; V182-I189 HydrophobicContact CG1-CD1 4.17Å; V182-I189 HydrophobicContact CG2-CD1 4.48Å; V182-F191 HydrophobicContact CG1-CE1 3.61Å; V182-F191 HydrophobicContact CG1-CE2 4.23Å; V182-F191 HydrophobicContact CG1-CZ 3.24Å; V182-L201 HydrophobicContact CG1-CD2 3.78Å; V182-L201 HydrophobicContact CG2-CD1 3.98Å; V182-L201 HydrophobicContact CG2-CD2 4.44Å
183K80.8Confident77.4Confident169 Ų16957.2 Ų57.274%0.73531%0.31SS*.Hα-helixtrans-59.5-41.7173.5-77.6-178.6178.7-172.90112.3Q179 A181 L185 G186Q179-K183 WeakPolarHBondContact O-CB 3.36Å; Q179-K183 VanDerWaalsContact O-CG 3.26Å; Q179-K183 WeakPolarHBondContact O-CG 3.47Å; Q179-K183 PolarHBondContact O-N 3.19Å; A181-K183 PolarHBondContact O-N 2.87Å; K183-L185 VanDerWaalsContact C-N 3.26Å; K183-L185 PolarHBondContact O-N 3.39Å; K183-G186 PolarHBondContact O-N 2.74Å
184A81.8Confident77.5Confident59 Ų5962.7 Ų62.749%0.48833%0.33SS..Hα-helixtrans-70.8-21.5177.700000113.1K148 K180 A181 V182K148-A184 HydrophobicContact CD-CB 4.3Å; K148-A184 WeakPolarHBondContact CE-O 3.43Å; K148-A184 VanDerWaalsContact NZ-C 3.33Å; K148-A184 PolarHBondContact NZ-O 3.44Å; K180-A184 VanDerWaalsContact O-CB 3.23Å; K180-A184 WeakPolarHBondContact O-CB 3.27Å; K180-A184 PolarHBondContact O-N 2.88Å; A181-A184 CarbonylContact O-C 3.6Å; A181-A184 WeakPolarHBondContact O-CA 3.5Å; A181-A184 WeakPolarHBondContact O-CB 3.43Å; A181-A184 PolarHBondContact O-N 3.1Å; V182-A184 VanDerWaalsContact C-N 3.32Å; V182-A184 PolarHBondContact O-N 3.1Å
185L77.7Confident78Confident4 Ų469 Ų692%0.02137%0.371CS..Hα-helixtrans-90.8-7.7171.7-79.1109.5000112.9K148 L151 L152 A181 V182 K183 D187 Q188 I189K148-L185 HydrophobicContact CB-CD1 4.17Å; K148-L185 HydrophobicContact CD-CD1 3.84Å; K148-L185 HydrophobicContact CD-CG 4.23Å; K148-L185 VanDerWaalsContact CE-CG 3.4Å; K148-L185 HydrophobicContact CG-CD1 3.46Å; K148-L185 VanDerWaalsContact CG-CD1 3.46Å; K148-L185 HydrophobicContact CG-CD2 4.47Å; K148-L185 HydrophobicContact CG-CG 4.01Å; L151-L185 HydrophobicContact CD2-CD1 4.31Å; L152-L185 HydrophobicContact CB-CD2 3.79Å; L152-L185 HydrophobicContact CD1-CD2 3.83Å; L152-L185 HydrophobicContact CG-CD2 4.26Å; A181-L185 HydrophobicContact CB-CD1 4.36Å; A181-L185 WeakPolarHBondContact O-CD1 3.26Å; A181-L185 PolarHBondContact O-N 3.45Å; V182-L185 CarbonylContact O-C 3.59Å; V182-L185 PolarHBondContact O-N 2.91Å; V182-L185 VanDerWaalsContact O-N 3.12Å; K183-L185 VanDerWaalsContact C-N 3.26Å; K183-L185 PolarHBondContact O-N 3.39Å; L185-D187 PolarHBondContact O-N 3Å; L185-Q188 WeakPolarHBondContact O-CB 3.47Å; L185-Q188 PolarHBondContact O-N 3.28Å; L185-I189 HydrophobicContact CB-CD1 3.52Å; L185-I189 HydrophobicContact CB-CG1 3.96Å; L185-I189 HydrophobicContact CD1-CD1 4.4Å; L185-I189 HydrophobicContact CD2-CD1 4.08Å; L185-I189 HydrophobicContact CD2-CG1 4.47Å; L185-I189 HydrophobicContact CG-CD1 4.18Å
186G75.1Confident78.5Confident31 Ų3171.2 Ų71.232%0.3238%0.383SS..G310 helixtrans-43.4-34.6-152.700000117.5V182 K183 Q188 I189V182-G186 WeakPolarHBondContact O-CA 3.49Å; V182-G186 PolarHBondContact O-N 3.49Å; K183-G186 PolarHBondContact O-N 2.74Å; G186-Q188 VanDerWaalsContact C-N 3.29Å; G186-Q188 PolarHBondContact O-N 3.21Å; G186-I189 PolarHBondContact O-N 2.78Å
187D77.8Confident79Confident93 Ų9377.7 Ų77.750%0.49741%0.406SS..G310 helixtrans-72.4-18.1179.1-147.340.3000114.5L185 N204 K206L185-D187 PolarHBondContact O-N 3Å; D187-N204 PolarHBondContact O-ND2 3.39Å; D187-K206 WeakPolarHBondContact O-CE 3.42Å; D187-K206 IonicContact OD2-NZ 2.69Å; D187-K206 PolarHBondContact OD2-NZ 3.03Å
188Q78.9Confident79.7Confident66 Ų6676.2 Ų76.231%0.30839%0.394SS..G310 helixtrans-97.3-3.1177.7-65.4176-25.200112.9L152 L185 G186 N204L152-Q188 HydrophobicContact CD1-CB 3.88Å; L152-Q188 HydrophobicContact CD1-CG 4.42Å; L185-Q188 WeakPolarHBondContact O-CB 3.47Å; L185-Q188 PolarHBondContact O-N 3.28Å; G186-Q188 VanDerWaalsContact C-N 3.29Å; G186-Q188 PolarHBondContact O-N 3.21Å; Q188-N204 VanDerWaalsContact C-CB 3.46Å; Q188-N204 WeakPolarHBondContact O-CB 3.2Å; Q188-N204 PolarHBondContact O-N 3.47Å
189I82.4Confident80.3Confident5 Ų580.8 Ų80.83%0.02641%0.414CS..EExtended strand (participates in β ladder)trans-129.9126.5-174.9-54.3178.3000109.9L151 L155 V182 L185 G186 L201 F202L151-I189 HydrophobicContact CD2-CD1 4.41Å; L155-I189 HydrophobicContact CD1-CD1 3.8Å; L155-I189 HydrophobicContact CD1-CG1 3.81Å; L155-I189 HydrophobicContact CD1-CG2 4.32Å; V182-I189 HydrophobicContact CG1-CD1 4.17Å; V182-I189 HydrophobicContact CG2-CD1 4.48Å; L185-I189 HydrophobicContact CB-CD1 3.52Å; L185-I189 HydrophobicContact CB-CG1 3.96Å; L185-I189 HydrophobicContact CD1-CD1 4.4Å; L185-I189 HydrophobicContact CD2-CD1 4.08Å; L185-I189 HydrophobicContact CD2-CG1 4.47Å; L185-I189 HydrophobicContact CG-CD1 4.18Å; G186-I189 PolarHBondContact O-N 2.78Å; I189-L201 HydrophobicContact CG2-CB 3.95Å; I189-L201 HydrophobicContact CG2-CD2 3.58Å; I189-L201 HydrophobicContact CG2-CG 4.34Å; I189-F202 CarbonylContact C-O 3.58Å; I189-F202 VanDerWaalsContact CA-O 3.28Å; I189-F202 WeakPolarHBondContact CA-O 3.34Å; I189-F202 WeakPolarHBondContact CG2-O 3.43Å
190L83.2Confident80.8Confident85 Ų8578.1 Ų78.145%0.44540%0.402SS..EExtended strand (participates in β ladder)trans-89.7135.5171.7-73.7160.3000110.1F202 N204L190-F202 HydrophobicContact CB-CB 4.04Å; L190-F202 PolarHBondContact N-O 2.69Å; L190-F202 PolarHBondContact O-N 3.42Å; L190-N204 HydrophobicContact CD1-CB 4.12Å; L190-N204 HydrophobicContact CG-CB 3.84Å
191F85.1Confident81.1Confident107 Ų10771.2 Ų71.247%0.46937%0.372SS..EExtended strand (participates in β ladder)trans-101.1121.5174.2-67.3-87.4000110.5V182 L201V182-F191 HydrophobicContact CG1-CE1 3.61Å; V182-F191 HydrophobicContact CG1-CE2 4.23Å; V182-F191 HydrophobicContact CG1-CZ 3.24Å; F191-L201 HydrophobicContact CD1-CD2 3.51Å; F191-L201 HydrophobicContact CE1-CD2 3.35Å; F191-L201 HydrophobicContact CG-CD2 4.44Å; F191-L201 HydrophobicContact CZ-CD2 4.17Å
192V84.1Confident81.5Confident67 Ų6774 Ų7441%0.40638%0.382SS..EExtended strand (participates in β ladder)trans-108.1113.2169.3178.50000108.2I200 F202V192-I200 HydrophobicContact CB-CB 4.37Å; V192-I200 PolarHBondContact N-O 2.89Å; V192-I200 PolarHBondContact O-N 3.28Å; V192-F202 HydrophobicContact CB-CD2 4.2Å; V192-F202 HydrophobicContact CB-CE2 3.95Å; V192-F202 HydrophobicContact CG2-CD2 3.6Å; V192-F202 HydrophobicContact CG2-CE2 3.61Å
193S84Confident81.7Confident88 Ų8876 Ų7662%0.61539%0.391SS*.EExtended strand (participates in β ladder)trans-85117.8172.7-1710000109.1
194R81.1Confident81.9Confident125 Ų12569.3 Ų69.347%0.47236%0.363SS..  trans-80.6161.2170.3-84-179.763.3173.63.4110.6D196 K197 K198 I200R194-D196 WeakPolarHBondContact CB-OD1 3.4Å; R194-D196 IonicContact CZ-OD2 2.88Å; R194-D196 IonicContact NE-OD2 3.87Å; R194-D196 PolarHBondContact NE-OD2 3.38Å; R194-D196 IonicContact NH1-OD2 3.04Å; R194-D196 IonicContact NH2-OD2 2.68Å; R194-D196 PolarHBondContact O-N 3.44Å; R194-D196 VanDerWaalsContact O-N 3.13Å; R194-K197 PolarHBondContact O-N 2.88Å; R194-K197 VanDerWaalsContact O-N 3.13Å; R194-K198 PolarHBondContact N-O 3.4Å; R194-I200 VanDerWaalsContact CD-CD1 3.45Å; R194-I200 HydrophobicContact CG-CD1 3.92Å
195P79.6Confident81.8Confident134 Ų13470 Ų7087%0.8736%0.358SS*.THydrogen-bonded Turntrans-63-15.9176.725.8-35.6000113.4K197P195-K197 PolarHBondContact O-N 3.1Å
196D79.7Confident81.5Confident62 Ų6274.2 Ų74.233%0.33238%0.377SS..THydrogen-bonded Turntrans-81.19.5175.760.87.5000113.7R194 K198R194-D196 WeakPolarHBondContact CB-OD1 3.4Å; R194-D196 IonicContact CZ-OD2 2.88Å; R194-D196 IonicContact NE-OD2 3.87Å; R194-D196 PolarHBondContact NE-OD2 3.38Å; R194-D196 IonicContact NH1-OD2 3.04Å; R194-D196 IonicContact NH2-OD2 2.68Å; R194-D196 PolarHBondContact O-N 3.44Å; R194-D196 VanDerWaalsContact O-N 3.13Å; D196-K198 HydrophobicContact CB-CG 4.34Å; D196-K198 PolarHBondContact O-N 3.29Å; D196-K198 VanDerWaalsContact O-N 3.13Å; D196-K198 VanDerWaalsContact OD1-CB 3.23Å; D196-K198 WeakPolarHBondContact OD1-CB 3.36Å; D196-K198 PolarHBondContact OD1-N 2.75Å
197K78.7Confident81.4Confident189 Ų18977.4 Ų77.482%0.82239%0.394SS*.SBendtrans62.46.7-173.5-54.9177.2-179.5176.20114.2R194 P195R194-K197 PolarHBondContact O-N 2.88Å; R194-K197 VanDerWaalsContact O-N 3.13Å; P195-K197 PolarHBondContact O-N 3.1Å
198K82.5Confident80.9Confident72 Ų7278.2 Ų78.231%0.31341%0.406SS..PPolyproline II helixtrans-82.9139.6174.7-56.2-173.4176.3-129.40109.2L167 E169 R194 D196L167-K198 HydrophobicContact CD1-CB 4.19Å; L167-K198 HydrophobicContact CD2-CD 4.22Å; E169-K198 VanDerWaalsContact CD-NZ 3.34Å; E169-K198 WeakPolarHBondContact OE1-CE 3.01Å; E169-K198 IonicContact OE1-NZ 3.95Å; E169-K198 PolarHBondContact OE1-NZ 2.48Å; E169-K198 IonicContact OE2-NZ 3.24Å; E169-K198 PolarHBondContact OE2-NZ 2.91Å; R194-K198 PolarHBondContact N-O 3.4Å; D196-K198 HydrophobicContact CB-CG 4.34Å; D196-K198 PolarHBondContact O-N 3.29Å; D196-K198 VanDerWaalsContact O-N 3.13Å; D196-K198 VanDerWaalsContact OD1-CB 3.23Å; D196-K198 WeakPolarHBondContact OD1-CB 3.36Å; D196-K198 PolarHBondContact OD1-N 2.75Å
199K84.8Confident80.5Confident99 Ų9980.7 Ų80.743%0.4342%0.417SS..EExtended strand (participates in β ladder)trans-101.2130.1177.9-63-179.6-176.9178.90109L168L168-K199 HydrophobicContact CB-CB 4.16Å; L168-K199 VanDerWaalsContact CB-O 3.31Å; L168-K199 WeakPolarHBondContact CB-O 3.37Å; L168-K199 HydrophobicContact CD2-CB 4.01Å; L168-K199 HydrophobicContact CD2-CD 4.1Å; L168-K199 HydrophobicContact CD2-CG 4.49Å; L168-K199 PolarHBondContact N-O 2.88Å
200I85.5Confident80.4Confident26 Ų2688.9 Ų88.913%0.13345%0.453CS..EExtended strand (participates in β ladder)trans-103.1136.3170.7-57.6167.8000107.8L167 V192 R194 F202L167-I200 HydrophobicContact CD1-CG1 3.68Å; V192-I200 HydrophobicContact CB-CB 4.37Å; V192-I200 PolarHBondContact N-O 2.89Å; V192-I200 PolarHBondContact O-N 3.28Å; R194-I200 VanDerWaalsContact CD-CD1 3.45Å; R194-I200 HydrophobicContact CG-CD1 3.92Å; I200-F202 HydrophobicContact CB-CD2 4.41Å; I200-F202 HydrophobicContact CB-CE2 3.94Å; I200-F202 HydrophobicContact CG2-CD2 3.79Å; I200-F202 HydrophobicContact CG2-CE2 3.32Å; I200-F202 HydrophobicContact CG2-CZ 3.87Å
201L84.1Confident80.2Confident0 Ų090.1 Ų90.10%047%0.469CS..EExtended strand (participates in β ladder)trans-101.8121.6177.5-63.1167.3000108.3L155 G165 I166 L168 I171 V182 I189 F191L155-L201 HydrophobicContact CD2-CB 4.43Å; G165-L201 CarbonylContact C-O 3.53Å; G165-L201 WeakPolarHBondContact CA-O 3.39Å; I166-L201 PolarHBondContact N-O 2.88Å; I166-L201 PolarHBondContact O-N 3.37Å; L168-L201 HydrophobicContact CB-CD1 4.42Å; L168-L201 HydrophobicContact CD1-CD1 3.68Å; L168-L201 HydrophobicContact CD1-CG 4.45Å; I171-L201 HydrophobicContact CB-CD1 4.42Å; I171-L201 HydrophobicContact CD1-CB 4.21Å; I171-L201 HydrophobicContact CD1-CD1 3.28Å; I171-L201 HydrophobicContact CD1-CG 4.31Å; I171-L201 HydrophobicContact CG1-CD1 4.4Å; V182-L201 HydrophobicContact CG1-CD2 3.78Å; V182-L201 HydrophobicContact CG2-CD1 3.98Å; V182-L201 HydrophobicContact CG2-CD2 4.44Å; I189-L201 HydrophobicContact CG2-CB 3.95Å; I189-L201 HydrophobicContact CG2-CD2 3.58Å; I189-L201 HydrophobicContact CG2-CG 4.34Å; F191-L201 HydrophobicContact CD1-CD2 3.51Å; F191-L201 HydrophobicContact CE1-CD2 3.35Å; F191-L201 HydrophobicContact CG-CD2 4.44Å; F191-L201 HydrophobicContact CZ-CD2 4.17Å
202F85.2Confident80.3Confident70 Ų7087.4 Ų87.431%0.30746%0.461SS..EExtended strand (participates in β ladder)trans-113.4152.4173.5-74.8-88.5000110G165 I189 L190 V192 I200G165-F202 VanDerWaalsContact CA-CE1 3.43Å; I189-F202 CarbonylContact C-O 3.58Å; I189-F202 VanDerWaalsContact CA-O 3.28Å; I189-F202 WeakPolarHBondContact CA-O 3.34Å; I189-F202 WeakPolarHBondContact CG2-O 3.43Å; L190-F202 HydrophobicContact CB-CB 4.04Å; L190-F202 PolarHBondContact N-O 2.69Å; L190-F202 PolarHBondContact O-N 3.42Å; V192-F202 HydrophobicContact CB-CD2 4.2Å; V192-F202 HydrophobicContact CB-CE2 3.95Å; V192-F202 HydrophobicContact CG2-CD2 3.6Å; V192-F202 HydrophobicContact CG2-CE2 3.61Å; I200-F202 HydrophobicContact CB-CD2 4.41Å; I200-F202 HydrophobicContact CB-CE2 3.94Å; I200-F202 HydrophobicContact CG2-CD2 3.79Å; I200-F202 HydrophobicContact CG2-CE2 3.32Å; I200-F202 HydrophobicContact CG2-CZ 3.87Å
203F84.6Confident80.6Confident46 Ų4689.6 Ų89.620%0.20247%0.471CS..EExtended strand (participates in β ladder)trans-68135.2167.6-172.9-107000109.5L152 L155 D156 D159 D205L152-F203 HydrophobicContact CD1-CD2 4.02Å; L152-F203 HydrophobicContact CD1-CE2 3.6Å; L152-F203 HydrophobicContact CG-CE2 4.32Å; L155-F203 HydrophobicContact CB-CB 4.05Å; L155-F203 HydrophobicContact CB-CD2 4.07Å; D156-F203 HydrophobicContact CB-CD2 4.27Å; D156-F203 HydrophobicContact CB-CE2 4.04Å; D156-F203 HydrophobicContact CB-CZ 4.37Å; D159-F203 HydrophobicContact CB-CB 4.01Å; D159-F203 HydrophobicContact CB-CD1 4.19Å; D159-F203 HydrophobicContact CB-CG 4.4Å; F203-D205 HydrophobicContact CE1-CB 4.48Å
204N83.6Confident80.7Confident27 Ų2793.3 Ų93.314%0.14448%0.478CS..  trans-97.3107.7172.3-168.519.7000109.1D187 Q188 L190 K206D187-N204 PolarHBondContact O-ND2 3.39Å; Q188-N204 VanDerWaalsContact C-CB 3.46Å; Q188-N204 WeakPolarHBondContact O-CB 3.2Å; Q188-N204 PolarHBondContact O-N 3.47Å; L190-N204 HydrophobicContact CD1-CB 4.12Å; L190-N204 HydrophobicContact CG-CB 3.84Å; N204-K206 PolarHBondContact O-N 2.88Å; N204-K206 VanDerWaalsContact O-N 3.13Å
205D79.4Confident81.1Confident73 Ų7394.7 Ų94.739%0.3949%0.49SS..  trans-72.7106.7170.6-173.24.4000109.8F203 S207 C208F203-D205 HydrophobicContact CE1-CB 4.48Å; D205-S207 PolarHBondContact O-N 3.37Å; D205-S207 VanDerWaalsContact O-N 3.17Å; D205-S207 WeakPolarHBondContact OD1-CB 3.33Å; D205-S207 PolarHBondContact OD1-N 3.27Å; D205-S207 PolarHBondContact OD1-OG 3.09Å; D205-C208 PolarHBondContact O-N 2.88Å
206K72.5Confident81.6Confident94 Ų9493.8 Ų93.841%0.40947%0.473SS..G310 helixtrans-67.2-11.2178.6-64.9-166.5170.8-146.50113.2D187 N204 C208D187-K206 WeakPolarHBondContact O-CE 3.42Å; D187-K206 IonicContact OD2-NZ 2.69Å; D187-K206 PolarHBondContact OD2-NZ 3.03Å; N204-K206 PolarHBondContact O-N 2.88Å; N204-K206 VanDerWaalsContact O-N 3.13Å; K206-C208 PolarHBondContact O-N 3.17Å
207S72.4Confident82.1Confident98 Ų9894.4 Ų94.469%0.68547%0.473SS*.G310 helixtrans-64.2-25.6179.3-48.90000112.5D205D205-S207 PolarHBondContact O-N 3.37Å; D205-S207 VanDerWaalsContact O-N 3.17Å; D205-S207 WeakPolarHBondContact OD1-CB 3.33Å; D205-S207 PolarHBondContact OD1-N 3.27Å; D205-S207 PolarHBondContact OD1-OG 3.09Å
208C67.3Low82.6Confident110 Ų11093.1 Ų93.174%0.74347%0.468SS*.G310 helixtrans-125.941-175.6-66.40000112.3D205 K206 F210D205-C208 PolarHBondContact O-N 2.88Å; K206-C208 PolarHBondContact O-N 3.17Å; C208-F210 PolarHBondContact O-N 2.91Å
209Q70.5Confident83.1Confident117 Ų11794.7 Ų94.755%0.54748%0.479SS..  trans-80.6109.6177.2-164.8168.318.100110.5
210F80.5Confident83.3Confident177 Ų177100.2 Ų100.278%0.77650%0.497SS*.  trans-124.6112.6173.1-175.8-118000109.4C208 V212C208-F210 PolarHBondContact O-N 2.91Å; F210-V212 HydrophobicContact CD1-CG2 3.49Å; F210-V212 VanDerWaalsContact CD1-CG2 3.49Å; F210-V212 HydrophobicContact CE1-CB 4.49Å; F210-V212 HydrophobicContact CE1-CG2 3.01Å; F210-V212 HydrophobicContact CE2-CG2 4.35Å; F210-V212 HydrophobicContact CG-CG2 4.35Å; F210-V212 HydrophobicContact CZ-CG2 3.51Å
211S78.3Confident83.4Confident111 Ų111107.7 Ų107.778%0.77652%0.524SS*.  trans-103.3132.7174.256.10000109.6
212V87.6Confident83.6Confident51 Ų51111.2 Ų111.231%0.30955%0.548SS..  trans-128.3140.7176.1-158.80000108.7F210 F216 Q217F210-V212 HydrophobicContact CD1-CG2 3.49Å; F210-V212 VanDerWaalsContact CD1-CG2 3.49Å; F210-V212 HydrophobicContact CE1-CB 4.49Å; F210-V212 HydrophobicContact CE1-CG2 3.01Å; F210-V212 HydrophobicContact CE2-CG2 4.35Å; F210-V212 HydrophobicContact CG-CG2 4.35Å; F210-V212 HydrophobicContact CZ-CG2 3.51Å; V212-F216 HydrophobicContact CG1-CB 3.41Å; V212-F216 VanDerWaalsContact CG1-CB 3.41Å; V212-F216 HydrophobicContact CG1-CD2 3.76Å; V212-F216 HydrophobicContact CG1-CG 3.91Å; V212-Q217 PolarHBondContact O-NE2 3.29Å
213D91.3Very high83.7Confident113 Ų113112 Ų11260%0.60456%0.559SS**  trans-58.1150.4177.7-55.7-46000112E215 F216 Q217D213-E215 PolarHBondContact O-N 2.93Å; D213-E215 VanDerWaalsContact O-N 3.16Å; D213-F216 HydrophobicContact CB-CD2 3.96Å; D213-F216 HydrophobicContact CB-CE2 4.45Å; D213-F216 PolarHBondContact O-N 2.91Å; D213-F216 VanDerWaalsContact O-N 3.11Å; D213-Q217 PolarHBondContact O-N 3.3Å; D213-Q217 VanDerWaalsContact O-N 3.13Å
214E86.6Confident83.5Confident165 Ų165114.4 Ų114.477%0.77158%0.577SS**Hα-helixtrans-60-29.1-177.2-67.1-168.8163.300112.8Q217 K218E214-Q217 PolarHBondContact O-N 3.13Å; E214-K218 WeakPolarHBondContact O-CB 3.31Å; E214-K218 PolarHBondContact O-N 3.33Å
215E89.4Confident83.3Confident155 Ų155117.4 Ų117.472%0.72460%0.597SS**Hα-helixtrans-62.1-46.6176.1-175174.5-175.800111.7D213 K218 L219D213-E215 PolarHBondContact O-N 2.93Å; D213-E215 VanDerWaalsContact O-N 3.16Å; E215-K218 PolarHBondContact O-N 3.27Å; E215-L219 WeakPolarHBondContact O-CB 3.36Å; E215-L219 PolarHBondContact O-N 2.78Å
216F89.9Confident83.1Confident115 Ų115120.3 Ų120.350%0.50461%0.612SS.*Hα-helixtrans-68.3-35.2176.2-66.3-62.5000112V212 D213 K218 L219 W220V212-F216 HydrophobicContact CG1-CB 3.41Å; V212-F216 VanDerWaalsContact CG1-CB 3.41Å; V212-F216 HydrophobicContact CG1-CD2 3.76Å; V212-F216 HydrophobicContact CG1-CG 3.91Å; D213-F216 HydrophobicContact CB-CD2 3.96Å; D213-F216 HydrophobicContact CB-CE2 4.45Å; D213-F216 PolarHBondContact O-N 2.91Å; D213-F216 VanDerWaalsContact O-N 3.11Å; F216-K218 VanDerWaalsContact C-N 3.3Å; F216-K218 PolarHBondContact O-N 3.32Å; F216-L219 PolarHBondContact O-N 2.87Å; F216-W220 VanDerWaalsContact O-CB 3.32Å; F216-W220 WeakPolarHBondContact O-CB 3.49Å; F216-W220 PolarHBondContact O-N 2.82Å
217Q88.9Confident83.2Confident75 Ų75121 Ų12135%0.3563%0.629SS.*Hα-helixtrans-63.1-39.7173.5-64.3-177.934.400111.5V212 D213 E214 R221V212-Q217 PolarHBondContact O-NE2 3.29Å; D213-Q217 PolarHBondContact O-N 3.3Å; D213-Q217 VanDerWaalsContact O-N 3.13Å; E214-Q217 PolarHBondContact O-N 3.13Å; Q217-R221 WeakPolarHBondContact O-CG 3.35Å; Q217-R221 PolarHBondContact O-N 3.14Å
218K90.6Very high83.4Confident161 Ų161120.1 Ų120.170%0.762%0.615SS**Hα-helixtrans-67.8-43.4176.5-171.9179.4179.8-1760111.1E214 E215 F216 R221 S222E214-K218 WeakPolarHBondContact O-CB 3.31Å; E214-K218 PolarHBondContact O-N 3.33Å; E215-K218 PolarHBondContact O-N 3.27Å; F216-K218 VanDerWaalsContact C-N 3.3Å; F216-K218 PolarHBondContact O-N 3.32Å; K218-R221 PolarHBondContact O-N 2.9Å; K218-S222 WeakPolarHBondContact O-CB 3.38Å; K218-S222 PolarHBondContact O-N 3.25Å
219L91.1Very high84Confident105 Ų105120.6 Ų120.655%0.5561%0.61SS.*Hα-helixtrans-59.8-47.3174.9-175.563.7000110.7E215 F216 R221 S222 V223E215-L219 WeakPolarHBondContact O-CB 3.36Å; E215-L219 PolarHBondContact O-N 2.78Å; F216-L219 PolarHBondContact O-N 2.87Å; L219-R221 PolarHBondContact O-N 3.42Å; L219-S222 PolarHBondContact O-N 3.16Å; L219-S222 VanDerWaalsContact O-N 3.12Å; L219-S222 PolarHBondContact O-OG 2.74Å; L219-V223 PolarHBondContact O-N 2.84Å
220W89.6Confident84.5Confident215 Ų215123.3 Ų123.381%0.81462%0.622SS**Hα-helixtrans-57.6-46.6177.1-177.2-98.5000112.4F216 S222 V223F216-W220 VanDerWaalsContact O-CB 3.32Å; F216-W220 WeakPolarHBondContact O-CB 3.49Å; F216-W220 PolarHBondContact O-N 2.82Å; W220-S222 VanDerWaalsContact C-N 3.3Å; W220-S222 PolarHBondContact O-N 3.46Å; W220-V223 PolarHBondContact O-N 2.86Å
221R87.5Confident84.6Confident184 Ų184122.7 Ų122.769%0.69462%0.622SS**Hα-helixtrans-71.7-22.1177.8-68176.9-167.6139.710.6113.6Q217 K218 L219 V223Q217-R221 WeakPolarHBondContact O-CG 3.35Å; Q217-R221 PolarHBondContact O-N 3.14Å; K218-R221 PolarHBondContact O-N 2.9Å; L219-R221 PolarHBondContact O-N 3.42Å; R221-V223 VanDerWaalsContact C-N 3.28Å
222S88.4Confident84.7Confident73 Ų73123.3 Ų123.351%0.5161%0.611SS.*Hα-helixtrans-74-21.6179.8740000113.1K218 L219 W220 T224K218-S222 WeakPolarHBondContact O-CB 3.38Å; K218-S222 PolarHBondContact O-N 3.25Å; L219-S222 PolarHBondContact O-N 3.16Å; L219-S222 VanDerWaalsContact O-N 3.12Å; L219-S222 PolarHBondContact O-OG 2.74Å; W220-S222 VanDerWaalsContact C-N 3.3Å; W220-S222 PolarHBondContact O-N 3.46Å; S222-T224 PolarHBondContact O-N 3.27Å
223V87Confident84.6Confident88 Ų88123.3 Ų123.353%0.53361%0.608SS.*SBendtrans-77.3104.9175.3-173.10000108.7L219 W220 R221 V225L219-V223 PolarHBondContact O-N 2.84Å; W220-V223 PolarHBondContact O-N 2.86Å; R221-V223 VanDerWaalsContact C-N 3.28Å; V223-V225 HydrophobicContact CG1-CG1 4Å; V223-V225 PolarHBondContact O-N 2.88Å; V223-V225 VanDerWaalsContact O-N 3.15Å
224T81.9Confident84.1Confident96 Ų96120.6 Ų120.659%0.58959%0.592SS**  trans-77.696.1179.852.10000110.4S222S222-T224 PolarHBondContact O-N 3.27Å
225V79.2Confident84Confident90 Ų90117.2 Ų117.255%0.54558%0.576SS.*  trans-100.7-9.5175.1-630000113.2V223 S227V223-V225 HydrophobicContact CG1-CG1 4Å; V223-V225 PolarHBondContact O-N 2.88Å; V223-V225 VanDerWaalsContact O-N 3.15Å; V225-S227 VanDerWaalsContact C-N 3.34Å; V225-S227 PolarHBondContact O-N 3.46Å
226D73.8Confident83.7Confident134 Ų134116.6 Ų116.672%0.71757%0.568SS**THydrogen-bonded Turntrans-70.2-27-176.759.8-9.7000114.1
227S74.9Confident83.5Confident108 Ų108113.6 Ų113.676%0.75556%0.557SS**THydrogen-bonded Turntrans-105.27.3-176.3-49.80000113.1V225V225-S227 VanDerWaalsContact C-N 3.34Å; V225-S227 PolarHBondContact O-N 3.46Å
228M76Confident83.3Confident80 Ų80115.6 Ų115.639%0.39457%0.565SS.*SBendtrans-109.1140.4-177.9-65.9-162.571.900111.4K232 I233M228-K232 HydrophobicContact CE-CD 3.81Å; M228-K232 HydrophobicContact CE-CG 3.98Å; M228-I233 HydrophobicContact CB-CD1 4.06Å; M228-I233 HydrophobicContact CB-CG1 4Å
229D81.1Confident83Confident120 Ų120116.9 Ų116.964%0.64257%0.565SS**  trans-69.4138.4174-61.3-46000111.1E231 K232 I233D229-E231 PolarHBondContact O-N 3.06Å; D229-K232 HydrophobicContact CB-CB 4.38Å; D229-K232 WeakPolarHBondContact O-CB 3.35Å; D229-K232 PolarHBondContact O-N 2.93Å; D229-I233 PolarHBondContact O-N 2.96Å; D229-I233 VanDerWaalsContact O-N 3.07Å
230E81.3Confident82.6Confident173 Ų173117.5 Ų117.581%0.80857%0.565SS**Hα-helixtrans-52.9-38.3177.5-105.6174.8169.600112.5K232 I233 E234E230-K232 PolarHBondContact O-N 3.12Å; E230-I233 PolarHBondContact O-N 3.13Å; E230-E234 PolarHBondContact O-N 2.97Å
231E81.9Confident82.1Confident164 Ų164110.4 Ų110.477%0.76656%0.559SS**Hα-helixtrans-63.8-38.7176.8-73.6-176.5158.400112.5D229 E234 E235D229-E231 PolarHBondContact O-N 3.06Å; E231-E234 PolarHBondContact O-N 3.41Å; E231-E235 WeakPolarHBondContact O-CB 3.46Å; E231-E235 PolarHBondContact O-N 3.41Å
232K81.8Confident81.7Confident125 Ų125106.3 Ų106.354%0.54355%0.55SS.*Hα-helixtrans-72.5-33.7179-168.7174.4-177.9175.20111.3M228 D229 E230 Y236M228-K232 HydrophobicContact CE-CD 3.81Å; M228-K232 HydrophobicContact CE-CG 3.98Å; D229-K232 HydrophobicContact CB-CB 4.38Å; D229-K232 WeakPolarHBondContact O-CB 3.35Å; D229-K232 PolarHBondContact O-N 2.93Å; E230-K232 PolarHBondContact O-N 3.12Å; K232-Y236 WeakPolarHBondContact O-CB 3.09Å; K232-Y236 PolarHBondContact O-N 2.89Å
233I84.4Confident80.5Confident50 Ų50107.2 Ų107.226%0.25656%0.557SS.*Hα-helixtrans-65.8-46.1172-61.7169.5000109.5M228 D229 E230 E235 Y236 L237M228-I233 HydrophobicContact CB-CD1 4.06Å; M228-I233 HydrophobicContact CB-CG1 4Å; D229-I233 PolarHBondContact O-N 2.96Å; D229-I233 VanDerWaalsContact O-N 3.07Å; E230-I233 PolarHBondContact O-N 3.13Å; I233-E235 PolarHBondContact O-N 3Å; I233-Y236 PolarHBondContact O-N 3.21Å; I233-L237 HydrophobicContact CG2-CD1 4.01Å; I233-L237 HydrophobicContact CG2-CG 4.37Å; I233-L237 WeakPolarHBondContact O-CB 3.18Å; I233-L237 WeakPolarHBondContact O-CG 3.39Å; I233-L237 PolarHBondContact O-N 2.91Å
234E81.6Confident79Confident56 Ų56105.5 Ų105.526%0.26255%0.548SS..Hα-helixtrans-62.9-41.8177.7-168.8-175.7162.500112.5E230 E231 L237 K238E230-E234 PolarHBondContact O-N 2.97Å; E231-E234 PolarHBondContact O-N 3.41Å; E234-L237 PolarHBondContact O-N 2.92Å; E234-K238 HydrophobicContact CG-CD 4.49Å; E234-K238 WeakPolarHBondContact O-CB 3.34Å; E234-K238 WeakPolarHBondContact O-CG 3.09Å; E234-K238 PolarHBondContact O-N 3.3Å; E234-K238 WeakPolarHBondContact OE1-CE 3.45Å; E234-K238 IonicContact OE1-NZ 2.65Å; E234-K238 PolarHBondContact OE1-NZ 3.4Å
235E84.3Confident77.7Confident95 Ų95108.1 Ų108.144%0.44456%0.555SS.*Hα-helixtrans-63.9-41.3175.9-166.3-171.9174.300111.7E231 I233 K238 R239E231-E235 WeakPolarHBondContact O-CB 3.46Å; E231-E235 PolarHBondContact O-N 3.41Å; I233-E235 PolarHBondContact O-N 3Å; E235-K238 PolarHBondContact O-N 3.49Å; E235-R239 WeakPolarHBondContact O-CB 3.44Å; E235-R239 WeakPolarHBondContact O-CG 3.13Å; E235-R239 PolarHBondContact O-N 3.04Å; E235-R239 IonicContact OE1-CZ 3.33Å; E235-R239 IonicContact OE1-NE 3.17Å; E235-R239 PolarHBondContact OE1-NE 3.13Å; E235-R239 IonicContact OE1-NH2 2.66Å; E235-R239 PolarHBondContact OE1-NH2 3.23Å
236Y83.2Confident76.6Confident142 Ų142111.4 Ų111.456%0.55757%0.565SS**Hα-helixtrans-62.8-44.1174.7-179.2-97.9000111.7K232 I233 R239 Q240K232-Y236 WeakPolarHBondContact O-CB 3.09Å; K232-Y236 PolarHBondContact O-N 2.89Å; I233-Y236 PolarHBondContact O-N 3.21Å; Y236-R239 PolarHBondContact O-N 3.45Å; Y236-Q240 HydrophobicContact CD1-CG 4.44Å; Y236-Q240 HydrophobicContact CE1-CG 4.08Å; Y236-Q240 HydrophobicContact CE2-CG 4.38Å; Y236-Q240 WeakPolarHBondContact O-CG 3.44Å; Y236-Q240 PolarHBondContact O-N 3.21Å
237L85.6Confident75.4Confident52 Ų52111.3 Ų111.327%0.27256%0.56SS.*Hα-helixtrans-60.2-46.4175.2-70.6171.9000111.3I233 E234 R239 Q240 G241 I242I233-L237 HydrophobicContact CG2-CD1 4.01Å; I233-L237 HydrophobicContact CG2-CG 4.37Å; I233-L237 WeakPolarHBondContact O-CB 3.18Å; I233-L237 WeakPolarHBondContact O-CG 3.39Å; I233-L237 PolarHBondContact O-N 2.91Å; E234-L237 PolarHBondContact O-N 2.92Å; L237-R239 PolarHBondContact O-N 3.06Å; L237-Q240 CarbonylContact O-C 3.53Å; L237-Q240 PolarHBondContact O-N 2.89Å; L237-G241 PolarHBondContact O-N 2.86Å; L237-I242 CarbonylContact C-O 3.54Å; L237-I242 VanDerWaalsContact C-O 3.24Å; L237-I242 HydrophobicContact CB-CG1 4.08Å; L237-I242 WeakPolarHBondContact CB-O 3.37Å; L237-I242 HydrophobicContact CD2-CD1 3.28Å; L237-I242 HydrophobicContact CD2-CG1 3.69Å; L237-I242 CarbonylContact O-C 3.59Å; L237-I242 WeakPolarHBondContact O-CG1 3.33Å; L237-I242 PolarHBondContact O-N 3.03Å; L237-I242 VanDerWaalsContact O-O 3.07Å
238K83.9Confident74.1Confident116 Ų116110.5 Ų110.550%0.50456%0.555SS.*Hα-helixtrans-62.7-41.5175.9-76.4177.4-175.2164.70112.7E234 E235 Q240 G241E234-K238 HydrophobicContact CG-CD 4.49Å; E234-K238 WeakPolarHBondContact O-CB 3.34Å; E234-K238 WeakPolarHBondContact O-CG 3.09Å; E234-K238 PolarHBondContact O-N 3.3Å; E234-K238 WeakPolarHBondContact OE1-CE 3.45Å; E234-K238 IonicContact OE1-NZ 2.65Å; E234-K238 PolarHBondContact OE1-NZ 3.4Å; E235-K238 PolarHBondContact O-N 3.49Å; K238-Q240 VanDerWaalsContact C-N 3.29Å; K238-Q240 PolarHBondContact O-N 3.28Å; K238-G241 PolarHBondContact O-N 3.26Å
239R84.3Confident72.8Confident188 Ų188109 Ų10971%0.70956%0.56SS**Hα-helixtrans-63.5-33.8175.7-77.6176.4-170.2-120.28.7112.3E235 Y236 L237 G241E235-R239 WeakPolarHBondContact O-CB 3.44Å; E235-R239 WeakPolarHBondContact O-CG 3.13Å; E235-R239 PolarHBondContact O-N 3.04Å; E235-R239 IonicContact OE1-CZ 3.33Å; E235-R239 IonicContact OE1-NE 3.17Å; E235-R239 PolarHBondContact OE1-NE 3.13Å; E235-R239 IonicContact OE1-NH2 2.66Å; E235-R239 PolarHBondContact OE1-NH2 3.23Å; Y236-R239 PolarHBondContact O-N 3.45Å; L237-R239 PolarHBondContact O-N 3.06Å; R239-G241 PolarHBondContact O-N 2.57Å
240Q82.3Confident71.6Confident118 Ų118109.3 Ų109.355%0.55157%0.568SS**THydrogen-bonded Turntrans-82.13.7174.4-65.3-61.1-33.600113.2Y236 L237 K238 I242Y236-Q240 HydrophobicContact CD1-CG 4.44Å; Y236-Q240 HydrophobicContact CE1-CG 4.08Å; Y236-Q240 HydrophobicContact CE2-CG 4.38Å; Y236-Q240 WeakPolarHBondContact O-CG 3.44Å; Y236-Q240 PolarHBondContact O-N 3.21Å; L237-Q240 CarbonylContact O-C 3.53Å; L237-Q240 PolarHBondContact O-N 2.89Å; K238-Q240 VanDerWaalsContact C-N 3.29Å; K238-Q240 PolarHBondContact O-N 3.28Å; Q240-I242 HydrophobicContact CB-CD1 4.38Å; Q240-I242 HydrophobicContact CB-CG1 4.07Å; Q240-I242 PolarHBondContact O-N 3.01Å
241G79.7Confident70.1Confident67 Ų67108.5 Ų108.569%0.69156%0.562SS**THydrogen-bonded Turntrans74.54177.900000114.7L237 K238 R239 S243L237-G241 PolarHBondContact O-N 2.86Å; K238-G241 PolarHBondContact O-N 3.26Å; R239-G241 PolarHBondContact O-N 2.57Å; G241-S243 PolarHBondContact O-N 3.2Å
242I79.7Confident68.7Low98 Ų98110.5 Ų110.550%0.50357%0.568SS.*  trans-91.891.4172.946.1-177.6000108.2L237 Q240 S244L237-I242 CarbonylContact C-O 3.54Å; L237-I242 VanDerWaalsContact C-O 3.24Å; L237-I242 HydrophobicContact CB-CG1 4.08Å; L237-I242 WeakPolarHBondContact CB-O 3.37Å; L237-I242 HydrophobicContact CD2-CD1 3.28Å; L237-I242 HydrophobicContact CD2-CG1 3.69Å; L237-I242 CarbonylContact O-C 3.59Å; L237-I242 WeakPolarHBondContact O-CG1 3.33Å; L237-I242 PolarHBondContact O-N 3.03Å; L237-I242 VanDerWaalsContact O-O 3.07Å; Q240-I242 HydrophobicContact CB-CD1 4.38Å; Q240-I242 HydrophobicContact CB-CG1 4.07Å; Q240-I242 PolarHBondContact O-N 3.01Å; I242-S244 PolarHBondContact O-N 3.49Å
243S63.8Low67.3Low92 Ų92110.8 Ų110.864%0.64358%0.58SS**  trans-69.2124.4176.2-163.40000109.6G241 M245G241-S243 PolarHBondContact O-N 3.2Å; S243-M245 PolarHBondContact O-N 2.94Å; S243-M245 VanDerWaalsContact O-N 3.09Å
244S53.8Low65.8Low51 Ų51112 Ų11236%0.35760%0.597SS.*  trans-49116.7165.8170.70000108.7I242 Q246I242-S244 PolarHBondContact O-N 3.49Å; S244-Q246 PolarHBondContact O-N 3.39Å
245M55.4Low64.2Low151 Ų151115 Ų11574%0.74462%0.622SS**  trans-75.180.6179.9-169.517069.400108.7S243 E247S243-M245 PolarHBondContact O-N 2.94Å; S243-M245 VanDerWaalsContact O-N 3.09Å; M245-E247 PolarHBondContact O-N 3.14Å
246Q55.3Low62.8Low159 Ų159117.6 Ų117.674%0.74364%0.637SS**  trans-80.511.9170-80.4-170.5-17.600113.3S244S244-Q246 PolarHBondContact O-N 3.39Å
247E48.6Very low61.5Low132 Ų132119.2 Ų119.262%0.61765%0.65SS**  trans-135.859.9-177.3-154.4167-169.900113.6M245 K251M245-E247 PolarHBondContact O-N 3.14Å; E247-K251 WeakPolarHBondContact OE1-CE 3.41Å; E247-K251 IonicContact OE1-NZ 3.65Å
248S47.9Very low60Low92 Ų92128.3 Ų128.364%0.64368%0.681SS**  trans-120.823.6153.672.80000112.5
249G49.6Very low58.5Low49 Ų49134.4 Ų134.451%0.50570%0.7SS.*SBendtrans-76.2136.3157.700000108.5K251G249-K251 PolarHBondContact O-N 3.33Å
250P55.9Low56.9Low125 Ų125135.2 Ų135.281%0.81271%0.709SS**  trans-55.4115.1173.823.1-32.1000107.8K252P250-K252 PolarHBondContact O-N 3.36Å
251K48.9Very low55.5Low157 Ų157138.8 Ų138.868%0.68372%0.723SS**  trans-43.9114.3171.3-83.5179.2175.1174.90106.7E247 G249 V253E247-K251 WeakPolarHBondContact OE1-CE 3.41Å; E247-K251 IonicContact OE1-NZ 3.65Å; G249-K251 PolarHBondContact O-N 3.33Å; K251-V253 PolarHBondContact O-N 3.48Å
252K52.1Low53.8Low206 Ų206142 Ų14290%0.89673%0.732SS**  trans-57.399.4171.7-75.4-173.7179.11790105.7P250 A254P250-K252 PolarHBondContact O-N 3.36Å; K252-A254 PolarHBondContact O-N 2.96Å
253V52.4Low52.3Low130 Ų130141.8 Ų141.879%0.78874%0.744SS**  trans-54.5115.2172.4-159.30000104.3K251K251-V253 PolarHBondContact O-N 3.48Å
254A53.5Low51.8Low75 Ų75142.4 Ų142.462%0.6275%0.749SS**  trans-47.5137.1179.600000108.5K252 I256K252-A254 PolarHBondContact O-N 2.96Å; A254-I256 PolarHBondContact O-N 3.4Å
255P47.4Very low51.8Low121 Ų121149.3 Ų149.379%0.78678%0.775SS**  trans-61111.9-177.824.8-30.8000107.2Q257P255-Q257 PolarHBondContact O-N 3.06Å
256I55.8Low51.8Low148 Ų148151.3 Ų151.376%0.75978%0.78SS**  trans-50.5110170.4-75.5164.2000105.9A254 R258A254-I256 PolarHBondContact O-N 3.4Å; I256-R258 PolarHBondContact O-N 2.98Å
257Q55.4Low51.9Low177 Ų177153.4 Ų153.483%0.82779%0.786SS**  trans-52.3115.4174.1-73.1-179.5-12.900106.8P255 R259P255-Q257 PolarHBondContact O-N 3.06Å; Q257-R259 VanDerWaalsContact C-N 3.3Å; Q257-R259 PolarHBondContact O-N 2.69Å
258R54.7Low52.4Low243 Ų243157.3 Ų157.392%0.91780%0.795SS**  trans-55.395.9175.3-77.3-179.7151.5-165.2-5.7108.3I256 K260I256-R258 PolarHBondContact O-N 2.98Å; R258-K260 PolarHBondContact O-N 3.42Å
259R51.2Low52.8Low243 Ų243164.8 Ų164.892%0.91781%0.81SS**  trans-61.6130.4167.5-96.3179.5143.9178.9-6.1107.9Q257Q257-R259 VanDerWaalsContact C-N 3.3Å; Q257-R259 PolarHBondContact O-N 2.69Å
260K52.1Low53.3Low205 Ų205170.3 Ų170.389%0.89182%0.82SS**  trans-51.1144.4179.5-68.1176.4175.8177.90111.2R258R258-K260 PolarHBondContact O-N 3.42Å
261K52.3Low53.7Low194 Ų194173.9 Ų173.984%0.84382%0.823SS**  trans-18.2129.2176.1-63.7175.7177.2179.70115.4A263K261-A263 PolarHBondContact O-N 2.92Å
262P44.7Very low54.4Low134 Ų134172.1 Ų172.187%0.8783%0.825SS**  trans-74.3118.6169.729.3-29.5000110
263A48.2Very low54.6Low93 Ų93170 Ų17077%0.76982%0.818SS**  trans-67.4132.4163.400000109.4K261K261-A263 PolarHBondContact O-N 2.92Å
264S51.8Low54.9Low105 Ų105168.5 Ų168.573%0.73481%0.806SS**  trans54.7100.9160.5-171.60000116.6K266S264-K266 VanDerWaalsContact C-N 3.34Å; S264-K266 PolarHBondContact O-N 2.72Å
265Q55.1Low55.5Low197 Ų197173 Ų17392%0.92181%0.814SS**  trans-61.593.2163.3-74.1-172.2-14.800109.9K267Q265-K267 PolarHBondContact O-N 3.47Å
266K54.3Low56.4Low193 Ų193174.3 Ų174.384%0.83981%0.809SS**  trans-65.2113.5160.5-90.7-178.3175.5176.70108S264 R268S264-K266 VanDerWaalsContact C-N 3.34Å; S264-K266 PolarHBondContact O-N 2.72Å; K266-R268 PolarHBondContact O-N 3.25Å
267K58.3Low56.8Low202 Ų202170.8 Ų170.888%0.87879%0.792SS**  trans-46.2114.4171.7-74.9-177.7176-176.40109.3Q265 R269Q265-K267 PolarHBondContact O-N 3.47Å; K267-R269 PolarHBondContact O-N 2.95Å; K267-R269 VanDerWaalsContact O-N 3.12Å
268R57.8Low57.1Low214 Ų214166.1 Ų166.181%0.80878%0.784SS**  trans-59.6113.5168.1-89.1178.6151.4-176.4-7.2107.4K266 F270K266-R268 PolarHBondContact O-N 3.25Å; R268-F270 HydrophobicContact CB-CD2 4.34Å; R268-F270 HydrophobicContact CB-CE2 4.13Å; R268-F270 PolarHBondContact O-N 3.02Å
269R56.8Low57.4Low250 Ų250158.5 Ų158.594%0.94378%0.781SS**  trans-67.597.4166.1-80.7-177.4164.7-164-5.2107.5K267K267-R269 PolarHBondContact O-N 2.95Å; K267-R269 VanDerWaalsContact O-N 3.12Å
270F61.3Low58.1Low164 Ų164152.7 Ų152.772%0.71977%0.772SS**  trans-67.8133.4163.1-79.5-88000107.9R268 T272R268-F270 HydrophobicContact CB-CD2 4.34Å; R268-F270 HydrophobicContact CB-CE2 4.13Å; R268-F270 PolarHBondContact O-N 3.02Å; F270-T272 PolarHBondContact O-N 2.91Å
271K64.3Low58.6Low200 Ų200148.3 Ų148.387%0.8776%0.757SS**  trans-74.899.8179.1-164.3153.1-178.1173.70107.7H273K271-H273 PolarHBondContact O-N 3.43Å; K271-H273 VanDerWaalsContact O-N 3.12Å
272T62.7Low59.2Low120 Ų120147 Ų14774%0.73675%0.752SS**  trans-72.398174.8470000108.4F270F270-T272 PolarHBondContact O-N 2.91Å
273H55.8Low60Low162 Ų162147.2 Ų147.275%0.7575%0.746SS**SBendtrans-76.7130.5158.2-124.2-87000105.9K271K271-H273 PolarHBondContact O-N 3.43Å; K271-H273 VanDerWaalsContact O-N 3.12Å
274N59.1Low60.5Low98 Ų98150.1 Ų150.152%0.52474%0.738SS.*  trans105.143.6-178.2-45.8-29.7000116.3H276 L277N274-H276 PolarHBondContact O-N 3.47Å; N274-L277 PolarHBondContact O-N 3.01Å
275E66.3Low61Low171 Ų171149.3 Ų149.380%0.79973%0.732SS**G310 helixtrans-59.2-24.9171.7-167.4171.7179.400113.6L277 A278E275-L277 VanDerWaalsContact C-N 3.27Å; E275-L277 PolarHBondContact O-N 3.02Å; E275-A278 WeakPolarHBondContact O-CB 3.41Å; E275-A278 PolarHBondContact O-N 2.82Å
276H66.1Low61.1Low147 Ų147146.9 Ų146.968%0.68173%0.725SS**G310 helixtrans-74.8-8-179.263.1-84.6000114.9N274N274-H276 PolarHBondContact O-N 3.47Å
277L64.1Low61.1Low74 Ų74143.6 Ų143.639%0.38772%0.716SS.*G310 helixtrans-108.13.5177.4-64.3175.3000113.3N274 E275 G279 V280 L281N274-L277 PolarHBondContact O-N 3.01Å; E275-L277 VanDerWaalsContact C-N 3.27Å; E275-L277 PolarHBondContact O-N 3.02Å; L277-G279 PolarHBondContact O-N 3.19Å; L277-G279 VanDerWaalsContact O-N 3.12Å; L277-V280 PolarHBondContact O-N 3.01Å; L277-L281 HydrophobicContact CB-CD1 4.02Å; L277-L281 PolarHBondContact O-N 2.97Å
278A61.3Low60.7Low80 Ų80140.1 Ų140.166%0.66171%0.712SS**THydrogen-bonded Turntrans-62-21.6-17500000114.2E275E275-A278 WeakPolarHBondContact O-CB 3.41Å; E275-A278 PolarHBondContact O-N 2.82Å
279G62.6Low60.4Low83 Ų83135.3 Ų135.386%0.85671%0.711SS**THydrogen-bonded Turntrans-93.9-5.6176.500000115.1L277L277-G279 PolarHBondContact O-N 3.19Å; L277-G279 VanDerWaalsContact O-N 3.12Å
280V65.9Low59.9Low120 Ų120126.6 Ų126.673%0.72770%0.699SS**THydrogen-bonded Turntrans-107.2-31.8-177.2-1790000111.3L277L277-V280 PolarHBondContact O-N 3.01Å
281L62.1Low58.7Low113 Ų113132.3 Ų132.359%0.59272%0.723SS**SBendtrans-82.5126.3177-9078.8000111.1L277L277-L281 HydrophobicContact CB-CD1 4.02Å; L277-L281 PolarHBondContact O-N 2.97Å
282K65.2Low58.5Low168 Ų168129 Ų12973%0.7372%0.716SS**  trans-84.5113170.2-126.2167.8-178.1171.10108.3Y284K282-Y284 HydrophobicContact CB-CD2 4.46Å; K282-Y284 HydrophobicContact CB-CE2 3.81Å; K282-Y284 VanDerWaalsContact O-CD2 3.24Å; K282-Y284 WeakPolarHBondContact O-CD2 3.39Å
283D59.9Low58.2Low137 Ų137129.4 Ų129.473%0.73372%0.715SS**  trans-79.1121.3176.4-77.3-23.3000110.5
284Y60Low58.4Low155 Ų155127.6 Ų127.661%0.60871%0.713SS**  trans-102.216178.7-72.1-88.8000112.9K282 D286 I287K282-Y284 HydrophobicContact CB-CD2 4.46Å; K282-Y284 HydrophobicContact CB-CE2 3.81Å; K282-Y284 VanDerWaalsContact O-CD2 3.24Å; K282-Y284 WeakPolarHBondContact O-CD2 3.39Å; Y284-D286 PolarHBondContact O-N 3.18Å; Y284-D286 VanDerWaalsContact O-N 3.13Å; Y284-I287 HydrophobicContact CD1-CD1 3.56Å; Y284-I287 HydrophobicContact CE1-CD1 4.23Å; Y284-I287 PolarHBondContact O-N 3.09Å
285S62.4Low58.3Low88 Ų88129.4 Ų129.462%0.61572%0.724SS**THydrogen-bonded Turntrans-64.7-14.3-177.750.40000114.6
286D57.1Low57.8Low145 Ų145126.8 Ų126.878%0.77572%0.72SS**THydrogen-bonded Turntrans-91.8-4-178.7-68.4-19.6000114Y284Y284-D286 PolarHBondContact O-N 3.18Å; Y284-D286 VanDerWaalsContact O-N 3.13Å
287I54.3Low57.3Low124 Ų124125.4 Ų125.464%0.63672%0.722SS**THydrogen-bonded Turntrans-91.9-10.4-173.3-80.2151.4000114.5Y284Y284-I287 HydrophobicContact CD1-CD1 3.56Å; Y284-I287 HydrophobicContact CE1-CD1 4.23Å; Y284-I287 PolarHBondContact O-N 3.09Å
288T50.3Low56.8Low129 Ų129129.1 Ų129.179%0.79175%0.746SS**THydrogen-bonded Turntrans-9615.1-17761.60000115.1
289S50.9Low56.4Low113 Ų113132.8 Ų132.879%0.7975%0.753SS**SBendtrans-108.362.9176.2-39.70000110.9
290G45.9Very low55.9Low67 Ų67137 Ų13769%0.69174%0.744SS**  trans-175.161.9-17700000115.8
291K37.2Very low55Low285 Ų285138.5 Ų138.5100%1.23975%0.746SS**  trans-179.10140.2-104.3173.1-178.4177.90110.4

Retrieved 291 of 291 residues in 269.2 ms (Link to these results)