A0A077Z0D2_TRITR Loading...

Dickkopf N-terminal cysteine-rich domain-containing protein

AlphaFold DB , UniProt , Accession A0A077Z0D2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 294 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
1M54.3Low59.6Low254 Ų254141.5 Ų141.5100%1.25183%0.827SS**  083.30-65.8-69.7-166.400108
2A54.8Low59.7Low101 Ų101139.5 Ų139.584%0.83581%0.808SS**  trans-121.5115.1-178.300000108.2
3L58.4Low59.8Low177 Ų177135.2 Ų135.293%0.92779%0.789SS**  trans-83.4123.3-178.5-80.4157.2000109.9
4L61.6Low59.9Low169 Ų169136.5 Ų136.589%0.88578%0.781SS**  trans-67.9127.4174.3-92.6130000111.7
5P60.1Low60Low129 Ų129131.3 Ų131.384%0.83876%0.761SS**  trans-96.4108169.133.7-23.7000109
6G61.4Low60Low64 Ų64130.3 Ų130.366%0.6675%0.751SS**  trans-160.739.4-173.500000115.8
7M62.3Low60Low167 Ų167129.5 Ų129.582%0.82374%0.743SS**  trans-143.213.9179.2-73.9-59.8-78.100116.1
8L60.1Low60.1Low158 Ų158127.2 Ų127.283%0.82774%0.735SS**  trans-102.13.1-171.5-88.1154.7000116.9
9C60.8Low60Low110 Ų110126.6 Ų126.674%0.74373%0.729SS**SBendtrans-94.4-1.8-173.7-91.50000117
10L60.6Low60Low135 Ų135125.8 Ų125.871%0.70772%0.72SS**Hα-helixtrans-84-20.2-173.9-78159.3000118.1
11P61Low59.7Low92 Ų92130.1 Ų130.160%0.59773%0.725SS**Hα-helixtrans-81.7-22.7-178.30.912.4000114.5
12I61.5Low59.7Low118 Ų118127.8 Ų127.861%0.60570%0.703SS**Hα-helixtrans-79.9-31.3-170.2-60.8173.7000111.7F14I12-F14 PolarHBondContact O-N 3.49Å
13C61Low59.8Low83 Ų83127 Ų12756%0.56169%0.688SS**Hα-helixtrans-71.7-29178.9-65.70000113.3L17C13-L17 PolarHBondContact O-N 3.44Å
14F61Low59.6Low154 Ų154123.7 Ų123.768%0.67567%0.674SS**Hα-helixtrans-72.4-33.9177.6-103-87.1000112.9I12 L16 L17 C18I12-F14 PolarHBondContact O-N 3.49Å; F14-L16 VanDerWaalsContact C-N 3.34Å; F14-L16 PolarHBondContact O-N 3.24Å; F14-L17 PolarHBondContact O-N 3.45Å; F14-C18 PolarHBondContact O-N 3.45Å
15A61.2Low59.3Low59 Ų59119 Ų11949%0.48866%0.66SS.*Hα-helixtrans-67.5-33178.800000112.9
16L60.2Low59Low114 Ų114117.1 Ų117.160%0.59764%0.643SS**Hα-helixtrans-75.6-35.3178.2-75.2166.8000112.4F14 N19 I20F14-L16 VanDerWaalsContact C-N 3.34Å; F14-L16 PolarHBondContact O-N 3.24Å; L16-N19 PolarHBondContact O-N 3.48Å; L16-I20 WeakPolarHBondContact O-CG1 3.49Å
17L60Low58.7Low118 Ų118122.3 Ų122.362%0.61865%0.648SS**Hα-helixtrans-72-31.2177.7-71.8169.8000112.9C13 F14 R21C13-L17 PolarHBondContact O-N 3.44Å; F14-L17 PolarHBondContact O-N 3.45Å; L17-R21 PolarHBondContact O-N 3.5Å
18C60.7Low58.3Low88 Ų88125 Ų12560%0.59565%0.648SS**Hα-helixtrans-68.7-33.9174.9-79.60000113.3F14F14-C18 PolarHBondContact O-N 3.45Å
19N59.8Low58.2Low116 Ų116121 Ų12162%0.6263%0.631SS**Hα-helixtrans-71.7-32.1178.9-97.4-49.3000113.3L16 T23L16-N19 PolarHBondContact O-N 3.48Å; N19-T23 PolarHBondContact O-OG1 3.49Å
20I58.3Low58Low109 Ų109120.8 Ų120.856%0.55962%0.622SS**Hα-helixtrans-74.2-33.6-179.4-60.9169.2000110.8L16 W22 T23L16-I20 WeakPolarHBondContact O-CG1 3.49Å; I20-W22 PolarHBondContact O-N 3.48Å; I20-T23 PolarHBondContact O-OG1 3.09Å; I20-T23 VanDerWaalsContact O-OG1 3.09Å
21R54.8Low58Low218 Ų218120 Ų12082%0.82361%0.614SS**Hα-helixtrans-75.2-24.7-178.8-152.5170.1178.2169.2-1.4113.6L17L17-R21 PolarHBondContact O-N 3.5Å
22W53.3Low58.1Low204 Ų204120.7 Ų120.777%0.77361%0.613SS**Hα-helixtrans-77.7-31176.9-13068.5000113.1I20I20-W22 PolarHBondContact O-N 3.48Å
23T56.9Low58.3Low86 Ų86117.8 Ų117.853%0.52860%0.603SS.*Hα-helixtrans-78-21-177.454.70000113.9N19 I20N19-T23 PolarHBondContact O-OG1 3.49Å; I20-T23 PolarHBondContact O-OG1 3.09Å; I20-T23 VanDerWaalsContact O-OG1 3.09Å
24V55.8Low58.7Low106 Ų106119.2 Ų119.264%0.64260%0.601SS**Hα-helixtrans-85.8-29.4177.6-1770000112.4N26V24-N26 VanDerWaalsContact C-N 3.32Å; V24-N26 PolarHBondContact O-N 3.47Å
25A53.7Low59.1Low70 Ų70120.1 Ų120.158%0.57960%0.6SS**Hα-helixtrans-72.6-23.3175.600000113.4
26N54Low59.6Low91 Ų91122.7 Ų122.749%0.48761%0.605SS.*Hα-helixtrans-88.1-5.5-174.3-149.710.7000114.6V24 T29V24-N26 VanDerWaalsContact C-N 3.32Å; V24-N26 PolarHBondContact O-N 3.47Å; N26-T29 PolarHBondContact O-OG1 3.16Å; N26-T29 VanDerWaalsContact O-OG1 3.06Å; N26-T29 PolarHBondContact OD1-OG1 3.03Å
27K55.3Low60.1Low173 Ų173122 Ų12275%0.75261%0.605SS**Hα-helixtrans-83.7-22.3178.2-72.7-174179.4-178.30113.6
28R55Low60.6Low222 Ų222125.3 Ų125.384%0.83861%0.61SS**Hα-helixtrans-83.5-30.5175.9-70.1-174.8-172.9176.92.6112.9L30R28-L30 VanDerWaalsContact C-N 3.33Å; R28-L30 PolarHBondContact O-N 3.06Å
29T56.8Low61Low75 Ų75124 Ų12446%0.4661%0.605SS.*Hα-helixtrans-71.7-24.1176.948.80000113.6N26 S33N26-T29 PolarHBondContact O-OG1 3.16Å; N26-T29 VanDerWaalsContact O-OG1 3.06Å; N26-T29 PolarHBondContact OD1-OG1 3.03Å; T29-S33 PolarHBondContact O-N 3.47Å; T29-S33 PolarHBondContact O-OG 3.21Å
30L56.6Low61.4Low105 Ų105124.3 Ų124.355%0.5560%0.602SS.*Hα-helixtrans-75-29.1-177.6-155131.1000113.2R28 S33 H34R28-L30 VanDerWaalsContact C-N 3.33Å; R28-L30 PolarHBondContact O-N 3.06Å; L30-S33 WeakPolarHBondContact CA-OG 3.28Å; L30-S33 PolarHBondContact O-OG 2.95Å; L30-H34 PolarHBondContact O-N 2.75Å
31H60.5Low61.9Low120 Ų120121.7 Ų121.756%0.55660%0.597SS**Hα-helixtrans-76.2-35.6177.2-164.5-87000112R35H31-R35 PolarHBondContact O-N 3.49Å
32D63Low62.2Low105 Ų105113 Ų11356%0.56158%0.576SS**Hα-helixtrans-73-36.2177-80.1-20.6000112.8H34 R35 L36D32-H34 PolarHBondContact O-N 3.33Å; D32-R35 PolarHBondContact O-N 3.32Å; D32-L36 PolarHBondContact O-N 3.17Å
33S66.2Low62.8Low58 Ų58107.9 Ų107.941%0.40656%0.563SS.*Hα-helixtrans-65.2-37.7173.737.70000112.1T29 L30 L36 V37T29-S33 PolarHBondContact O-N 3.47Å; T29-S33 PolarHBondContact O-OG 3.21Å; L30-S33 WeakPolarHBondContact CA-OG 3.28Å; L30-S33 PolarHBondContact O-OG 2.95Å; S33-L36 PolarHBondContact O-N 3.1Å; S33-V37 VanDerWaalsContact O-CG2 3.28Å; S33-V37 WeakPolarHBondContact O-CG2 3.34Å; S33-V37 PolarHBondContact O-N 2.91Å
34H68.8Low62.9Low112 Ų112106.5 Ų106.552%0.51956%0.56SS.*Hα-helixtrans-65.5-37.2172.6-105.7-73.6000113.3L30 D32 R38L30-H34 PolarHBondContact O-N 2.75Å; D32-H34 PolarHBondContact O-N 3.33Å; H34-R38 WeakPolarHBondContact O-CB 3.37Å; H34-R38 PolarHBondContact O-N 2.91Å; H34-R38 VanDerWaalsContact O-N 3.1Å
35R70.9Confident63.1Low173 Ų173111 Ų11165%0.65357%0.566SS**Hα-helixtrans-66.6-40.7173.3-83.2-173.1167.2-164.3-1.9111.8H31 D32 R38 A39H31-R35 PolarHBondContact O-N 3.49Å; D32-R35 PolarHBondContact O-N 3.32Å; R35-R38 PolarHBondContact O-N 3.25Å; R35-A39 WeakPolarHBondContact O-CB 3.44Å; R35-A39 PolarHBondContact O-N 2.93Å
36L70.7Confident63.5Low114 Ų114117 Ų11760%0.59757%0.573SS**Hα-helixtrans-65-44.3177.9-134.998.6000112D32 S33 R38 A39 H40D32-L36 PolarHBondContact O-N 3.17Å; S33-L36 PolarHBondContact O-N 3.1Å; L36-R38 VanDerWaalsContact C-N 3.32Å; L36-R38 PolarHBondContact O-N 3.44Å; L36-A39 PolarHBondContact O-N 3.44Å; L36-H40 PolarHBondContact O-N 3Å
37V71.6Confident63.7Low99 Ų99119.8 Ų119.860%0.658%0.581SS**Hα-helixtrans-62.6-40.1176.4171.90000110.9S33 H40 A41S33-V37 VanDerWaalsContact O-CG2 3.28Å; S33-V37 WeakPolarHBondContact O-CG2 3.34Å; S33-V37 PolarHBondContact O-N 2.91Å; V37-H40 PolarHBondContact O-N 3.29Å; V37-A41 WeakPolarHBondContact O-CB 3.44Å; V37-A41 PolarHBondContact O-N 3.29Å
38R70.8Confident64Low188 Ų188117.9 Ų117.971%0.70958%0.575SS**Hα-helixtrans-69-36.6178-150.5-180-71.6173.9-2.6112H34 R35 L36 G42H34-R38 WeakPolarHBondContact O-CB 3.37Å; H34-R38 PolarHBondContact O-N 2.91Å; H34-R38 VanDerWaalsContact O-N 3.1Å; R35-R38 PolarHBondContact O-N 3.25Å; L36-R38 VanDerWaalsContact C-N 3.32Å; L36-R38 PolarHBondContact O-N 3.44Å; R38-G42 PolarHBondContact O-N 3.23Å
39A69.4Low64.2Low59 Ų59111 Ų11149%0.48856%0.561SS.*Hα-helixtrans-66.6-43.5173.300000112.3R35 L36 A41 G42 L43R35-A39 WeakPolarHBondContact O-CB 3.44Å; R35-A39 PolarHBondContact O-N 2.93Å; L36-A39 PolarHBondContact O-N 3.44Å; A39-A41 PolarHBondContact O-N 3.35Å; A39-G42 PolarHBondContact O-N 2.97Å; A39-L43 PolarHBondContact O-N 3.19Å; A39-L43 VanDerWaalsContact O-N 3.13Å
40H68.1Low64.3Low124 Ų124113 Ų11357%0.57457%0.565SS**Hα-helixtrans-63.7-39.5175.5-95.1-83.2000112.8L36 V37 G42 L43 A44L36-H40 PolarHBondContact O-N 3Å; V37-H40 PolarHBondContact O-N 3.29Å; H40-G42 VanDerWaalsContact C-N 3.3Å; H40-G42 PolarHBondContact O-N 3.13Å; H40-L43 PolarHBondContact O-N 3.39Å; H40-A44 PolarHBondContact O-N 3.39Å
41A66.9Low64.6Low53 Ų53115.2 Ų115.244%0.43857%0.57SS.*Hα-helixtrans-63.5-35.317500000112.4V37 A39 R45V37-A41 WeakPolarHBondContact O-CB 3.44Å; V37-A41 PolarHBondContact O-N 3.29Å; A39-A41 PolarHBondContact O-N 3.35Å; A41-R45 PolarHBondContact O-N 3.42Å
42G62.7Low64.7Low37 Ų37112.4 Ų112.438%0.38156%0.562SS.*Hα-helixtrans-65.6-41.317400000113.3R38 A39 H40 R45 R46R38-G42 PolarHBondContact O-N 3.23Å; A39-G42 PolarHBondContact O-N 2.97Å; H40-G42 VanDerWaalsContact C-N 3.3Å; H40-G42 PolarHBondContact O-N 3.13Å; G42-R45 PolarHBondContact O-N 3.5Å; G42-R46 PolarHBondContact O-N 3.22Å
43L64.5Low64.5Low95 Ų95113.6 Ų113.650%0.49756%0.564SS.*Hα-helixtrans-67.4-41175.9-72.2171.8000112.2A39 H40 R45 R46 F47A39-L43 PolarHBondContact O-N 3.19Å; A39-L43 VanDerWaalsContact O-N 3.13Å; H40-L43 PolarHBondContact O-N 3.39Å; L43-R45 VanDerWaalsContact C-N 3.32Å; L43-R45 PolarHBondContact O-N 3.04Å; L43-R46 PolarHBondContact O-N 3.17Å; L43-R46 VanDerWaalsContact O-N 3.17Å; L43-F47 WeakPolarHBondContact O-CD2 3.42Å; L43-F47 PolarHBondContact O-N 3.5Å
44A59.7Low64.2Low57 Ų57115.8 Ų115.847%0.47157%0.571SS.*Hα-helixtrans-58.7-42.517600000111.9H40 R46 F47 E48H40-A44 PolarHBondContact O-N 3.39Å; A44-R46 PolarHBondContact O-N 3.25Å; A44-F47 PolarHBondContact O-N 3.48Å; A44-E48 PolarHBondContact O-N 2.94Å
45R60.5Low63.9Low202 Ų202112.7 Ų112.776%0.76257%0.565SS**Hα-helixtrans-64.2-37.6175.6-74.3-171.4-174.4-173.93.2113.2A41 G42 L43 E48 S49A41-R45 PolarHBondContact O-N 3.42Å; G42-R45 PolarHBondContact O-N 3.5Å; L43-R45 VanDerWaalsContact C-N 3.32Å; L43-R45 PolarHBondContact O-N 3.04Å; R45-E48 PolarHBondContact O-N 3.45Å; R45-S49 PolarHBondContact O-N 3.47Å; R45-S49 VanDerWaalsContact O-N 3.08Å
46R61.3Low63.4Low195 Ų195112.5 Ų112.574%0.73656%0.564SS**Hα-helixtrans-66.1-43.4176-76.1-171.8-177.7179.81.3112G42 L43 A44 E48 S49 Q50G42-R46 PolarHBondContact O-N 3.22Å; L43-R46 PolarHBondContact O-N 3.17Å; L43-R46 VanDerWaalsContact O-N 3.17Å; A44-R46 PolarHBondContact O-N 3.25Å; R46-E48 VanDerWaalsContact C-N 3.3Å; R46-E48 PolarHBondContact O-N 3.04Å; R46-S49 PolarHBondContact O-N 3.43Å; R46-Q50 PolarHBondContact O-N 3.05Å; R46-Q50 VanDerWaalsContact O-N 3.1Å
47F59.6Low62.8Low149 Ų149114.7 Ų114.765%0.65457%0.569SS**Hα-helixtrans-61.9-38.5175.7-94.1-82.5000112.4L43 A44 Q50 K51L43-F47 WeakPolarHBondContact O-CD2 3.42Å; L43-F47 PolarHBondContact O-N 3.5Å; A44-F47 PolarHBondContact O-N 3.48Å; F47-Q50 PolarHBondContact O-N 3.08Å; F47-K51 WeakPolarHBondContact O-CB 3.49Å; F47-K51 PolarHBondContact O-N 3.25Å
48E60.7Low62.8Low133 Ų133113.3 Ų113.362%0.62156%0.564SS**Hα-helixtrans-70.6-38.5-180-160.2144.2-149.400112.2A44 R45 R46 K51 V52A44-E48 PolarHBondContact O-N 2.94Å; R45-E48 PolarHBondContact O-N 3.45Å; R46-E48 VanDerWaalsContact C-N 3.3Å; R46-E48 PolarHBondContact O-N 3.04Å; E48-K51 PolarHBondContact O-N 2.91Å; E48-V52 WeakPolarHBondContact O-CG2 3.42Å; E48-V52 PolarHBondContact O-N 3.46Å; E48-V52 VanDerWaalsContact O-N 3.08Å
49S58.8Low63Low79 Ų79111.6 Ų111.655%0.55256%0.557SS**Hα-helixtrans-63.1-43.7174-139.30000112.1R45 R46 K51 V52 E53R45-S49 PolarHBondContact O-N 3.47Å; R45-S49 VanDerWaalsContact O-N 3.08Å; R46-S49 PolarHBondContact O-N 3.43Å; S49-K51 VanDerWaalsContact C-N 3.32Å; S49-K51 PolarHBondContact O-N 3.35Å; S49-V52 PolarHBondContact O-N 3.35Å; S49-E53 PolarHBondContact O-N 3.1Å; S49-E53 VanDerWaalsContact O-N 3.13Å
50Q59.5Low63.1Low115 Ų115113.8 Ų113.854%0.53756%0.56SS.*Hα-helixtrans-65.5-34.3177.6-157.4174.122.600112.3R46 F47 E53 N54R46-Q50 PolarHBondContact O-N 3.05Å; R46-Q50 VanDerWaalsContact O-N 3.1Å; F47-Q50 PolarHBondContact O-N 3.08Å; Q50-E53 PolarHBondContact O-N 3.38Å; Q50-N54 WeakPolarHBondContact O-CB 3.45Å; Q50-N54 PolarHBondContact O-N 3.42Å; Q50-N54 VanDerWaalsContact O-N 3.07Å; Q50-N54 PolarHBondContact O-ND2 3.1Å
51K62.3Low63.7Low152 Ų152110.8 Ų110.866%0.66155%0.553SS**Hα-helixtrans-67.5-35.7174.7-164175.2-177178.20112.3F47 E48 S49 A55F47-K51 WeakPolarHBondContact O-CB 3.49Å; F47-K51 PolarHBondContact O-N 3.25Å; E48-K51 PolarHBondContact O-N 2.91Å; S49-K51 VanDerWaalsContact C-N 3.32Å; S49-K51 PolarHBondContact O-N 3.35Å; K51-A55 WeakPolarHBondContact O-CB 3.37Å; K51-A55 PolarHBondContact O-N 3.2Å; K51-A55 VanDerWaalsContact O-N 3.1Å
52V62Low64.4Low62 Ų62111.7 Ų111.738%0.37655%0.55SS.*Hα-helixtrans-69.1-39.8176.5173.70000111.4E48 S49 A55 R56E48-V52 WeakPolarHBondContact O-CG2 3.42Å; E48-V52 PolarHBondContact O-N 3.46Å; E48-V52 VanDerWaalsContact O-N 3.08Å; S49-V52 PolarHBondContact O-N 3.35Å; V52-A55 PolarHBondContact O-N 3.07Å; V52-R56 WeakPolarHBondContact O-CG 3.36Å; V52-R56 PolarHBondContact O-N 3.32Å
53E60.2Low65.5Low130 Ų130117.6 Ų117.661%0.60757%0.565SS**Hα-helixtrans-67.3-44.2176.3-70.9-168.6150.300112.6S49 Q50 A55 R56 F57S49-E53 PolarHBondContact O-N 3.1Å; S49-E53 VanDerWaalsContact O-N 3.13Å; Q50-E53 PolarHBondContact O-N 3.38Å; E53-A55 VanDerWaalsContact C-N 3.26Å; E53-A55 PolarHBondContact O-N 3.48Å; E53-R56 WeakPolarHBondContact O-CB 3.4Å; E53-R56 PolarHBondContact O-N 2.87Å; E53-F57 PolarHBondContact O-N 3.18Å
54N59.9Low66.7Low103 Ų103120.2 Ų120.255%0.55157%0.573SS**Hα-helixtrans-60.1-36.7174.4-75.6-20.1000112.3Q50 S58Q50-N54 WeakPolarHBondContact O-CB 3.45Å; Q50-N54 PolarHBondContact O-N 3.42Å; Q50-N54 VanDerWaalsContact O-N 3.07Å; Q50-N54 PolarHBondContact O-ND2 3.1Å; N54-S58 WeakPolarHBondContact O-CB 3.4Å; N54-S58 PolarHBondContact O-N 3.08Å; N54-S58 PolarHBondContact O-OG 2.89Å
55A61.9Low67.8Low48 Ų48121.7 Ų121.740%0.39757%0.572SS.*Hα-helixtrans-68.9-36.117400000112.5K51 V52 E53 R59K51-A55 WeakPolarHBondContact O-CB 3.37Å; K51-A55 PolarHBondContact O-N 3.2Å; K51-A55 VanDerWaalsContact O-N 3.1Å; V52-A55 PolarHBondContact O-N 3.07Å; E53-A55 VanDerWaalsContact C-N 3.26Å; E53-A55 PolarHBondContact O-N 3.48Å; A55-R59 WeakPolarHBondContact O-CG 3.49Å; A55-R59 PolarHBondContact O-N 3.39Å
56R60.1Low69.1Low169 Ų169115.4 Ų115.464%0.63855%0.553SS**Hα-helixtrans-66.7-44.3174.4-75.5179.2177.8-172.50.1111.4V52 E53 S58 R59 L60V52-R56 WeakPolarHBondContact O-CG 3.36Å; V52-R56 PolarHBondContact O-N 3.32Å; E53-R56 WeakPolarHBondContact O-CB 3.4Å; E53-R56 PolarHBondContact O-N 2.87Å; R56-S58 VanDerWaalsContact C-N 3.31Å; R56-S58 PolarHBondContact O-N 3.29Å; R56-R59 PolarHBondContact O-N 3.3Å; R56-R59 VanDerWaalsContact O-N 3.15Å; R56-L60 PolarHBondContact O-N 3.49Å
57F59.3Low70.7Confident160 Ų160112.3 Ų112.370%0.70255%0.545SS*.Hα-helixtrans-62.5-40.7176.7-159.5-96.5000111.5E53 R59 L60 S61E53-F57 PolarHBondContact O-N 3.18Å; F57-R59 VanDerWaalsContact C-N 3.34Å; F57-R59 PolarHBondContact O-N 3.13Å; F57-L60 PolarHBondContact O-N 3.38Å; F57-S61 PolarHBondContact O-N 2.89Å; F57-S61 PolarHBondContact O-OG 3.3Å
58S70.9Confident72.1Confident69 Ų69114 Ų11448%0.48355%0.548SS..Hα-helixtrans-63.4-35.4174.2-61.20000113.1N54 R56 S61 L62N54-S58 WeakPolarHBondContact O-CB 3.4Å; N54-S58 PolarHBondContact O-N 3.08Å; N54-S58 PolarHBondContact O-OG 2.89Å; R56-S58 VanDerWaalsContact C-N 3.31Å; R56-S58 PolarHBondContact O-N 3.29Å; S58-S61 PolarHBondContact O-OG 2.98Å; S58-L62 WeakPolarHBondContact O-CB 3.49Å; S58-L62 PolarHBondContact O-N 2.86Å
59R74.4Confident73.4Confident152 Ų152114.2 Ų114.257%0.57455%0.546SS*.Hα-helixtrans-68.9-41.2175.3-77.4177.9179.1-161.3-0.3112.1A55 R56 F57 K63A55-R59 WeakPolarHBondContact O-CG 3.49Å; A55-R59 PolarHBondContact O-N 3.39Å; R56-R59 PolarHBondContact O-N 3.3Å; R56-R59 VanDerWaalsContact O-N 3.15Å; F57-R59 VanDerWaalsContact C-N 3.34Å; F57-R59 PolarHBondContact O-N 3.13Å; R59-K63 WeakPolarHBondContact O-CB 3.31Å; R59-K63 PolarHBondContact O-N 3.45Å
60L72.4Confident75Confident106 Ų106118.8 Ų118.856%0.55555%0.551SS**Hα-helixtrans-67.6-42.5177.5-70.8173.5000111.6R56 F57 K63 K64R56-L60 PolarHBondContact O-N 3.49Å; F57-L60 PolarHBondContact O-N 3.38Å; L60-K63 PolarHBondContact O-N 3.49Å; L60-K64 WeakPolarHBondContact O-CG 3.27Å; L60-K64 PolarHBondContact O-N 3.38Å
61S81.1Confident76.6Confident61 Ų61120.4 Ų120.443%0.42755%0.553SS.*Hα-helixtrans-64.8-4117672.90000111.6F57 S58 K64 L65F57-S61 PolarHBondContact O-N 2.89Å; F57-S61 PolarHBondContact O-OG 3.3Å; S58-S61 PolarHBondContact O-OG 2.98Å; S61-K64 PolarHBondContact O-N 2.89Å; S61-L65 WeakPolarHBondContact O-CB 3.36Å; S61-L65 PolarHBondContact O-N 2.91Å
62L80.4Confident78Confident72 Ų72119.5 Ų119.538%0.37755%0.548SS..Hα-helixtrans-64.5-42.9175.2-176.263.8000112.1S58 K64 L65 L66 M163S58-L62 WeakPolarHBondContact O-CB 3.49Å; S58-L62 PolarHBondContact O-N 2.86Å; L62-K64 VanDerWaalsContact C-N 3.33Å; L62-K64 PolarHBondContact O-N 3.41Å; L62-L65 PolarHBondContact O-N 3.5Å; L62-L66 HydrophobicContact CD1-CG 4.36Å; L62-L66 HydrophobicContact CG-CD1 4.15Å; L62-L66 HydrophobicContact CG-CG 4.42Å; L62-L66 WeakPolarHBondContact O-CB 3.39Å; L62-L66 WeakPolarHBondContact O-CG 3.46Å; L62-L66 PolarHBondContact O-N 2.95Å; L62-M163 HydrophobicContact CD2-CE 4.35Å
63K86.4Confident79.4Confident160 Ų160121 Ų12170%0.69655%0.554SS**Hα-helixtrans-61.1-42.7175.6-170.6177.7-178.8-179.40111.1R59 L60 K67R59-K63 WeakPolarHBondContact O-CB 3.31Å; R59-K63 PolarHBondContact O-N 3.45Å; L60-K63 PolarHBondContact O-N 3.49Å; K63-K67 WeakPolarHBondContact O-CB 3.36Å; K63-K67 PolarHBondContact O-N 3.38Å
64K88.7Confident81Confident151 Ų151122.2 Ų122.266%0.65756%0.557SS**Hα-helixtrans-62.1-43.8173.8-73.3179.5-178.7-178.20111.4L60 S61 L62 K67 R68L60-K64 WeakPolarHBondContact O-CG 3.27Å; L60-K64 PolarHBondContact O-N 3.38Å; S61-K64 PolarHBondContact O-N 2.89Å; L62-K64 VanDerWaalsContact C-N 3.33Å; L62-K64 PolarHBondContact O-N 3.41Å; K64-K67 PolarHBondContact O-N 3.4Å; K64-R68 WeakPolarHBondContact O-CG 3.45Å; K64-R68 PolarHBondContact O-N 3.03Å
65L83Confident82.5Confident87 Ų87125.7 Ų125.746%0.45556%0.563SS.*Hα-helixtrans-63.4-46.3177.6-177.264.6000112.1S61 L62 K67 R68 K69S61-L65 WeakPolarHBondContact O-CB 3.36Å; S61-L65 PolarHBondContact O-N 2.91Å; L62-L65 PolarHBondContact O-N 3.5Å; L65-K67 VanDerWaalsContact C-N 3.33Å; L65-K67 PolarHBondContact O-N 3.35Å; L65-R68 WeakPolarHBondContact O-CB 3.42Å; L65-R68 PolarHBondContact O-N 3Å; L65-K69 WeakPolarHBondContact O-CG 3.35Å; L65-K69 PolarHBondContact O-N 3.45Å
66L89.2Confident83.9Confident70 Ų70127 Ų12737%0.36656%0.563SS.*Hα-helixtrans-62.4-40.2176.6-71.7173.5000111.5L62 R68 K69 R70L62-L66 HydrophobicContact CD1-CG 4.36Å; L62-L66 HydrophobicContact CG-CD1 4.15Å; L62-L66 HydrophobicContact CG-CG 4.42Å; L62-L66 WeakPolarHBondContact O-CB 3.39Å; L62-L66 WeakPolarHBondContact O-CG 3.46Å; L62-L66 PolarHBondContact O-N 2.95Å; L66-R68 PolarHBondContact O-N 2.99Å; L66-K69 PolarHBondContact O-N 3.06Å; L66-R70 WeakPolarHBondContact O-CB 3.36Å; L66-R70 PolarHBondContact O-N 3.3Å
67K93.3Very high85.5Confident131 Ų131122 Ų12257%0.5755%0.553SS**Hα-helixtrans-61-43.3173.8-167.5175.5-177.2178.50111.3K63 K64 L65 R71K63-K67 WeakPolarHBondContact O-CB 3.36Å; K63-K67 PolarHBondContact O-N 3.38Å; K64-K67 PolarHBondContact O-N 3.4Å; L65-K67 VanDerWaalsContact C-N 3.33Å; L65-K67 PolarHBondContact O-N 3.35Å; K67-R71 WeakPolarHBondContact O-CG 3.5Å; K67-R71 PolarHBondContact O-N 2.93Å; K67-R71 VanDerWaalsContact O-N 3.08Å
68R89.3Confident87.2Confident185 Ų185120.6 Ų120.670%0.69855%0.549SS*.Hα-helixtrans-62.2-46.5174.3-73.3179.3179.3179.1-0.5112K64 L65 L66 R71 K72K64-R68 WeakPolarHBondContact O-CG 3.45Å; K64-R68 PolarHBondContact O-N 3.03Å; L65-R68 WeakPolarHBondContact O-CB 3.42Å; L65-R68 PolarHBondContact O-N 3Å; L66-R68 PolarHBondContact O-N 2.99Å; R68-R71 PolarHBondContact O-N 2.81Å; R68-K72 PolarHBondContact O-N 3.03Å
69K88.8Confident88.2Confident136 Ų136122.2 Ų122.259%0.59155%0.549SS*.Hα-helixtrans-63.9-41178.5-68.7-71.6-175.5178.20112.1L65 L66 R71 K72 L73L65-K69 WeakPolarHBondContact O-CG 3.35Å; L65-K69 PolarHBondContact O-N 3.45Å; L66-K69 PolarHBondContact O-N 3.06Å; K69-R71 PolarHBondContact O-N 3.17Å; K69-K72 PolarHBondContact O-N 3.09Å; K69-L73 PolarHBondContact O-N 3.02Å
70R92.9Very high89.1Confident175 Ų175118.3 Ų118.366%0.6654%0.538SS*.Hα-helixtrans-62.4-40.7175-174.7-179.7-81.6-171.9-4.5112L66 L73 K74L66-R70 WeakPolarHBondContact O-CB 3.36Å; L66-R70 PolarHBondContact O-N 3.3Å; R70-L73 PolarHBondContact O-N 2.91Å; R70-K74 PolarHBondContact O-N 3.35Å; R70-K74 VanDerWaalsContact O-N 3.07Å
71R92.3Very high90.1Very high150 Ų150117.8 Ų117.857%0.56654%0.536SS*.Hα-helixtrans-62.5-45.2173.9-73.7176.5177.3-175.2-3.6111.9K67 R68 K69 L73 K74 R75K67-R71 WeakPolarHBondContact O-CG 3.5Å; K67-R71 PolarHBondContact O-N 2.93Å; K67-R71 VanDerWaalsContact O-N 3.08Å; R68-R71 PolarHBondContact O-N 2.81Å; K69-R71 PolarHBondContact O-N 3.17Å; R71-L73 VanDerWaalsContact C-N 3.33Å; R71-L73 PolarHBondContact O-N 3.04Å; R71-K74 PolarHBondContact O-N 3.3Å; R71-R75 PolarHBondContact O-N 2.95Å
72K91.4Very high90.6Very high132 Ų132117.1 Ų117.157%0.57453%0.53SS*.Hα-helixtrans-61-41.5176.4-173.3167.8-177.3168.90111.9R68 K69 K74 R75 L76R68-K72 PolarHBondContact O-N 3.03Å; K69-K72 PolarHBondContact O-N 3.09Å; K72-K74 VanDerWaalsContact C-N 3.34Å; K72-K74 PolarHBondContact O-N 3.4Å; K72-R75 PolarHBondContact O-N 2.95Å; K72-L76 HydrophobicContact CG-CD1 4.3Å; K72-L76 WeakPolarHBondContact O-CG 3.37Å; K72-L76 PolarHBondContact O-N 3.11Å
73L91.8Very high91.1Very high95 Ų95119.1 Ų119.150%0.49754%0.54SS..Hα-helixtrans-62.2-40.7176.3-172.267.8000112.2K69 R70 R71 S77 L135K69-L73 PolarHBondContact O-N 3.02Å; R70-L73 PolarHBondContact O-N 2.91Å; R71-L73 VanDerWaalsContact C-N 3.33Å; R71-L73 PolarHBondContact O-N 3.04Å; L73-S77 WeakPolarHBondContact O-CB 3.48Å; L73-S77 PolarHBondContact O-N 3.39Å; L73-L135 HydrophobicContact CD1-CD2 4.03Å
74K94Very high91.4Very high155 Ų155118 Ų11867%0.67454%0.536SS*.Hα-helixtrans-63-41.6174.8-74.3-170.9174-1630112.6R70 R71 K72 S77 H78R70-K74 PolarHBondContact O-N 3.35Å; R70-K74 VanDerWaalsContact O-N 3.07Å; R71-K74 PolarHBondContact O-N 3.3Å; K72-K74 VanDerWaalsContact C-N 3.34Å; K72-K74 PolarHBondContact O-N 3.4Å; K74-S77 PolarHBondContact O-N 3.25Å; K74-H78 PolarHBondContact O-N 3.43Å
75R90.9Very high91.5Very high176 Ų176116.7 Ų116.766%0.66453%0.532SS*.Hα-helixtrans-61.3-51.1175.9-71.2-177.5-175.5175.5-2.8111.7R71 K72 S77 H78 E79R71-R75 PolarHBondContact O-N 2.95Å; K72-R75 PolarHBondContact O-N 2.95Å; R75-S77 VanDerWaalsContact C-N 3.27Å; R75-S77 PolarHBondContact O-N 3.01Å; R75-H78 WeakPolarHBondContact O-CA 3.43Å; R75-H78 WeakPolarHBondContact O-CB 3.44Å; R75-H78 PolarHBondContact O-N 3Å; R75-E79 WeakPolarHBondContact O-CG 3.43Å; R75-E79 PolarHBondContact O-N 2.96Å
76L92.1Very high91.7Very high75 Ų75118 Ų11839%0.39354%0.535SS..Hα-helixtrans-59.5-38.6177.1-69.4172.8000112.2K72 H78 E79 I80K72-L76 HydrophobicContact CG-CD1 4.3Å; K72-L76 WeakPolarHBondContact O-CG 3.37Å; K72-L76 PolarHBondContact O-N 3.11Å; L76-H78 VanDerWaalsContact C-N 3.3Å; L76-H78 PolarHBondContact O-N 2.98Å; L76-E79 PolarHBondContact O-N 2.84Å; L76-I80 WeakPolarHBondContact O-CB 3.31Å; L76-I80 VanDerWaalsContact O-CG1 3.25Å; L76-I80 WeakPolarHBondContact O-CG1 3.17Å; L76-I80 PolarHBondContact O-N 3.28Å
77S93.5Very high91.7Very high63 Ų63118.9 Ų118.944%0.44154%0.54SS..Hα-helixtrans-64.2-36175.1-1710000112.5L73 K74 R75 N81L73-S77 WeakPolarHBondContact O-CB 3.48Å; L73-S77 PolarHBondContact O-N 3.39Å; K74-S77 PolarHBondContact O-N 3.25Å; R75-S77 VanDerWaalsContact C-N 3.27Å; R75-S77 PolarHBondContact O-N 3.01Å; S77-N81 VanDerWaalsContact O-CG 3.27Å; S77-N81 PolarHBondContact O-N 3.02Å; S77-N81 PolarHBondContact O-ND2 3.44Å
78H93.6Very high91.4Very high131 Ų131116.8 Ų116.861%0.60654%0.535SS*.Hα-helixtrans-70.5-46.9175.9-173.261.1000110.9K74 R75 L76 I80 N81 T82K74-H78 PolarHBondContact O-N 3.43Å; R75-H78 WeakPolarHBondContact O-CA 3.43Å; R75-H78 WeakPolarHBondContact O-CB 3.44Å; R75-H78 PolarHBondContact O-N 3Å; L76-H78 VanDerWaalsContact C-N 3.3Å; L76-H78 PolarHBondContact O-N 2.98Å; H78-I80 VanDerWaalsContact C-N 3.32Å; H78-I80 PolarHBondContact O-N 3.4Å; H78-N81 WeakPolarHBondContact O-CB 3.28Å; H78-N81 PolarHBondContact O-N 3.03Å; H78-T82 PolarHBondContact O-N 3.34Å; H78-T82 PolarHBondContact O-OG1 2.76Å; H78-T82 VanDerWaalsContact O-OG1 3.04Å
79E92.3Very high91.1Very high103 Ų103110.6 Ų110.648%0.48152%0.516SS..Hα-helixtrans-55.6-44.5175.5-70.7165.1-146.200112R75 L76 N81 T82 L83R75-E79 WeakPolarHBondContact O-CG 3.43Å; R75-E79 PolarHBondContact O-N 2.96Å; L76-E79 PolarHBondContact O-N 2.84Å; E79-N81 VanDerWaalsContact C-N 3.34Å; E79-N81 PolarHBondContact O-N 3.18Å; E79-T82 PolarHBondContact O-N 3.41Å; E79-L83 WeakPolarHBondContact O-CB 3.35Å; E79-L83 WeakPolarHBondContact O-CG 3.41Å; E79-L83 PolarHBondContact O-N 3.28Å
80I93.4Very high90.7Very high70 Ų70109.7 Ų109.736%0.35951%0.513SS..Hα-helixtrans-61.6-42.2175.6-70.9167000111.2L76 H78 L83 K84 L128L76-I80 WeakPolarHBondContact O-CB 3.31Å; L76-I80 VanDerWaalsContact O-CG1 3.25Å; L76-I80 WeakPolarHBondContact O-CG1 3.17Å; L76-I80 PolarHBondContact O-N 3.28Å; H78-I80 VanDerWaalsContact C-N 3.32Å; H78-I80 PolarHBondContact O-N 3.4Å; I80-L83 PolarHBondContact O-N 3.2Å; I80-K84 WeakPolarHBondContact O-CB 3.19Å; I80-K84 PolarHBondContact O-N 2.95Å; I80-L128 HydrophobicContact CG2-CD1 4.47Å
81N93.6Very high90Very high95 Ų95103.6 Ų103.651%0.50850%0.495SS..Hα-helixtrans-67.3-40.7178.5-74-13.4000111.8S77 H78 E79 K84 Q85S77-N81 VanDerWaalsContact O-CG 3.27Å; S77-N81 PolarHBondContact O-N 3.02Å; S77-N81 PolarHBondContact O-ND2 3.44Å; H78-N81 WeakPolarHBondContact O-CB 3.28Å; H78-N81 PolarHBondContact O-N 3.03Å; E79-N81 VanDerWaalsContact C-N 3.34Å; E79-N81 PolarHBondContact O-N 3.18Å; N81-K84 WeakPolarHBondContact O-CB 3.38Å; N81-K84 PolarHBondContact O-N 2.97Å; N81-Q85 PolarHBondContact O-N 2.73Å
82T91.9Very high89.4Confident48 Ų48102.4 Ų102.429%0.29449%0.494SS..Hα-helixtrans-61.7-48.1174.8-55.70000110.8H78 E79 K84 Q85 H86H78-T82 PolarHBondContact O-N 3.34Å; H78-T82 PolarHBondContact O-OG1 2.76Å; H78-T82 VanDerWaalsContact O-OG1 3.04Å; E79-T82 PolarHBondContact O-N 3.41Å; T82-K84 VanDerWaalsContact C-N 3.31Å; T82-K84 PolarHBondContact O-N 3.03Å; T82-Q85 WeakPolarHBondContact O-CB 3.31Å; T82-Q85 PolarHBondContact O-N 3.4Å; T82-Q85 VanDerWaalsContact O-N 3.11Å; T82-H86 PolarHBondContact O-CD2 3.15Å; T82-H86 PolarHBondContact O-N 3.3Å
83L91.3Very high88.6Confident113 Ų113104 Ų10459%0.59250%0.497SS*.Hα-helixtrans-59.7-41.4175.4-73.2172.1000112E79 I80 Q85 H86 L87E79-L83 WeakPolarHBondContact O-CB 3.35Å; E79-L83 WeakPolarHBondContact O-CG 3.41Å; E79-L83 PolarHBondContact O-N 3.28Å; I80-L83 PolarHBondContact O-N 3.2Å; L83-Q85 VanDerWaalsContact C-N 3.31Å; L83-Q85 PolarHBondContact O-N 3.43Å; L83-H86 PolarHBondContact O-N 3.43Å; L83-L87 WeakPolarHBondContact O-CG 3.5Å; L83-L87 PolarHBondContact O-N 3.16Å
84K92.1Very high87.6Confident138 Ų138102.9 Ų102.960%0.649%0.493SS*.Hα-helixtrans-61.8-39.2175.4-172.1177.4179.9-178.80111.8I80 N81 T82 N88I80-K84 WeakPolarHBondContact O-CB 3.19Å; I80-K84 PolarHBondContact O-N 2.95Å; N81-K84 WeakPolarHBondContact O-CB 3.38Å; N81-K84 PolarHBondContact O-N 2.97Å; T82-K84 VanDerWaalsContact C-N 3.31Å; T82-K84 PolarHBondContact O-N 3.03Å; K84-N88 WeakPolarHBondContact O-CB 3.35Å; K84-N88 PolarHBondContact O-N 2.9Å; K84-N88 VanDerWaalsContact O-N 3.1Å
85Q90.1Very high86.2Confident123 Ų123101.7 Ų101.758%0.57549%0.494SS*.Hα-helixtrans-67.1-47.9176.2-173.5171.6-2.600111.5N81 T82 L83 L87 N88 D89N81-Q85 PolarHBondContact O-N 2.73Å; T82-Q85 WeakPolarHBondContact O-CB 3.31Å; T82-Q85 PolarHBondContact O-N 3.4Å; T82-Q85 VanDerWaalsContact O-N 3.11Å; L83-Q85 VanDerWaalsContact C-N 3.31Å; L83-Q85 PolarHBondContact O-N 3.43Å; Q85-L87 VanDerWaalsContact C-N 3.3Å; Q85-L87 PolarHBondContact O-N 3.45Å; Q85-N88 WeakPolarHBondContact O-CB 3.3Å; Q85-N88 PolarHBondContact O-N 3.39Å; Q85-D89 PolarHBondContact O-N 2.95Å
86H88.6Confident85Confident114 Ų11497.5 Ų97.553%0.52849%0.492SS..Hα-helixtrans-57.7-41.5176.1-76.4-72.9000112.7T82 L83 N88 D89 H90T82-H86 PolarHBondContact O-CD2 3.15Å; T82-H86 PolarHBondContact O-N 3.3Å; L83-H86 PolarHBondContact O-N 3.43Å; H86-N88 VanDerWaalsContact C-N 3.32Å; H86-N88 PolarHBondContact O-N 2.86Å; H86-D89 PolarHBondContact O-N 3.06Å; H86-H90 VanDerWaalsContact O-CB 3.31Å; H86-H90 WeakPolarHBondContact O-CB 3.36Å; H86-H90 PolarHBondContact O-N 2.92Å
87L87.9Confident83.5Confident89 Ų89100.4 Ų100.447%0.46651%0.507SS..Hα-helixtrans-64.5-37.3175.6-73.5172.7000112.2L83 Q85 T91L83-L87 WeakPolarHBondContact O-CG 3.5Å; L83-L87 PolarHBondContact O-N 3.16Å; Q85-L87 VanDerWaalsContact C-N 3.3Å; Q85-L87 PolarHBondContact O-N 3.45Å; L87-T91 WeakPolarHBondContact O-CB 3.38Å; L87-T91 PolarHBondContact O-N 3.45Å; L87-T91 PolarHBondContact O-OG1 3.32Å
88N87.7Confident81.8Confident86 Ų86101.8 Ų101.846%0.4651%0.51SS..Hα-helixtrans-70.9-41.9177.6-157.824000111.7K84 Q85 H86 T91 K92K84-N88 WeakPolarHBondContact O-CB 3.35Å; K84-N88 PolarHBondContact O-N 2.9Å; K84-N88 VanDerWaalsContact O-N 3.1Å; Q85-N88 WeakPolarHBondContact O-CB 3.3Å; Q85-N88 PolarHBondContact O-N 3.39Å; H86-N88 VanDerWaalsContact C-N 3.32Å; H86-N88 PolarHBondContact O-N 2.86Å; N88-T91 WeakPolarHBondContact O-CB 2.97Å; N88-T91 PolarHBondContact O-N 3.45Å; N88-K92 WeakPolarHBondContact O-CG 3.44Å; N88-K92 PolarHBondContact O-N 3.32Å
89D83.6Confident80Confident56 Ų56101 Ų10130%0.29952%0.519SS..Hα-helixtrans-67.7-36.7177.7-65.9-19.5000111.9Q85 H86 K92 R93Q85-D89 PolarHBondContact O-N 2.95Å; H86-D89 PolarHBondContact O-N 3.06Å; D89-K92 PolarHBondContact O-N 3.35Å; D89-R93 PolarHBondContact O-N 2.91Å
90H80Confident78.2Confident117 Ų117100.8 Ų100.854%0.54253%0.529SS..Hα-helixtrans-66-42.5171.7-167.1-81.6000111.2H86 K92 R93 V94H86-H90 VanDerWaalsContact O-CB 3.31Å; H86-H90 WeakPolarHBondContact O-CB 3.36Å; H86-H90 PolarHBondContact O-N 2.92Å; H90-K92 VanDerWaalsContact C-N 3.31Å; H90-K92 PolarHBondContact O-N 3.35Å; H90-R93 PolarHBondContact O-N 3.49Å; H90-V94 WeakPolarHBondContact O-CG2 3.42Å; H90-V94 PolarHBondContact O-N 2.66Å
91T78.9Confident76.5Confident46 Ų46104.1 Ų104.128%0.28255%0.552SS.*Hα-helixtrans-60-42175.6-560000111L87 N88 L95 K121L87-T91 WeakPolarHBondContact O-CB 3.38Å; L87-T91 PolarHBondContact O-N 3.45Å; L87-T91 PolarHBondContact O-OG1 3.32Å; N88-T91 WeakPolarHBondContact O-CB 2.97Å; N88-T91 PolarHBondContact O-N 3.45Å; T91-L95 HydrophobicContact CG2-CD1 4.24Å; T91-L95 WeakPolarHBondContact O-CG 3.22Å; T91-L95 PolarHBondContact O-N 2.91Å; T91-K121 PolarHBondContact OG1-NZ 3.46Å
92K78.7Confident74.4Confident125 Ų125107.8 Ų107.854%0.54357%0.567SS.*Hα-helixtrans-65.7-45.8176.8-73.4-180179.7-175.90112.6N88 D89 H90 V94 L95 S96N88-K92 WeakPolarHBondContact O-CG 3.44Å; N88-K92 PolarHBondContact O-N 3.32Å; D89-K92 PolarHBondContact O-N 3.35Å; H90-K92 VanDerWaalsContact C-N 3.31Å; H90-K92 PolarHBondContact O-N 3.35Å; K92-V94 PolarHBondContact O-N 3.36Å; K92-L95 PolarHBondContact O-N 3.09Å; K92-S96 PolarHBondContact O-N 3.47Å; K92-S96 PolarHBondContact O-OG 2.87Å
93R73.7Confident72.5Confident167 Ų167112.3 Ų112.363%0.6359%0.589SS**Hα-helixtrans-62.7-39.5179.3-81.9-172-87.3174.8-9.5113.1D89 H90 L95 S96 N97D89-R93 PolarHBondContact O-N 2.91Å; H90-R93 PolarHBondContact O-N 3.49Å; R93-L95 VanDerWaalsContact C-N 3.28Å; R93-L95 PolarHBondContact O-N 3.03Å; R93-S96 PolarHBondContact O-N 3.26Å; R93-N97 PolarHBondContact O-N 3.35Å
94V71.2Confident70.8Confident70 Ų70109.9 Ų109.942%0.42459%0.592SS.*Hα-helixtrans-65.7-33177.1173.10000111.6H90 K92H90-V94 WeakPolarHBondContact O-CG2 3.42Å; H90-V94 PolarHBondContact O-N 2.66Å; K92-V94 PolarHBondContact O-N 3.36Å
95L65.7Low69Low130 Ų130112.8 Ų112.868%0.68161%0.605SS**Hα-helixtrans-76.4-25178.2-70.4168.2000113.5T91 K92 R93T91-L95 HydrophobicContact CG2-CD1 4.24Å; T91-L95 WeakPolarHBondContact O-CG 3.22Å; T91-L95 PolarHBondContact O-N 2.91Å; K92-L95 PolarHBondContact O-N 3.09Å; R93-L95 VanDerWaalsContact C-N 3.28Å; R93-L95 PolarHBondContact O-N 3.03Å
96S64.6Low67.4Low89 Ų89110.8 Ų110.862%0.62260%0.598SS**Hα-helixtrans-85.7-17.6-178.6-64.20000114.9K92 R93K92-S96 PolarHBondContact O-N 3.47Å; K92-S96 PolarHBondContact O-OG 2.87Å; R93-S96 PolarHBondContact O-N 3.26Å
97N60.4Low65.8Low135 Ų135111.3 Ų111.372%0.72260%0.602SS**SBendtrans-96.91.6-175.3-82.47.3000115R93 S99R93-N97 PolarHBondContact O-N 3.35Å; N97-S99 VanDerWaalsContact C-N 3.32Å; N97-S99 PolarHBondContact O-N 2.9Å
98D58.3Low64.3Low92 Ų92113.4 Ų113.449%0.49261%0.613SS.*THydrogen-bonded Turntrans-87.117.7-175.1-97.9-7.6000113.9K114D98-K114 IonicContact OD2-NZ 3.62Å; D98-K114 PolarHBondContact OD2-NZ 2.79Å
99S56.1Low63Low114 Ų114112.7 Ų112.780%0.79761%0.614SS**THydrogen-bonded Turntrans-96.410.4-179.161.10000116.1N97N97-S99 VanDerWaalsContact C-N 3.32Å; N97-S99 PolarHBondContact O-N 2.9Å
100S54.2Low62Low100 Ų100114.5 Ų114.570%0.69962%0.619SS**SBendtrans-121108.1-176.9-174.40000113.1
101V57.8Low61.1Low139 Ų139116.6 Ų116.684%0.84263%0.626SS**  trans52.8117149.5-164.50000118.1
102E49.3Very low60.4Low173 Ų173124.2 Ų124.281%0.80865%0.65SS**  trans-70.4133.3-171.2-56.7-170.7133.900114.2
103N52.4Low59.7Low142 Ų142127 Ų12776%0.75966%0.657SS**  trans-128.2105.9152.4-101.3-17.9000107.5F105 D106N103-F105 PolarHBondContact O-N 3.25Å; N103-D106 PolarHBondContact O-N 2.54Å; N103-D106 VanDerWaalsContact O-N 3.1Å
104G56.4Low59.7Low63 Ų63123.8 Ų123.865%0.64965%0.648SS**THydrogen-bonded Turntrans-60.2-15.2-165.500000116.7
105F54.1Low59.6Low199 Ų199122.6 Ų122.687%0.87365%0.645SS**THydrogen-bonded Turntrans-81.8-23.2176.8-113-94.5000113.9N103 M107N103-F105 PolarHBondContact O-N 3.25Å; F105-M107 VanDerWaalsContact C-N 3.34Å
106D56.5Low60Low81 Ų81120.7 Ų120.743%0.43364%0.639SS.*Hα-helixtrans-83.8-13.3-178.5-152.820.5000112.5N103 L108 K110N103-D106 PolarHBondContact O-N 2.54Å; N103-D106 VanDerWaalsContact O-N 3.1Å; D106-L108 PolarHBondContact O-N 2.87Å; D106-K110 WeakPolarHBondContact O-CB 3.3Å; D106-K110 VanDerWaalsContact O-CG 3.31Å; D106-K110 WeakPolarHBondContact O-CG 3.04Å; D106-K110 PolarHBondContact O-N 2.96Å; D106-K110 WeakPolarHBondContact OD2-CE 3.39Å; D106-K110 IonicContact OD2-NZ 3.53Å
107M54Low60.6Low125 Ų125121 Ų12162%0.61663%0.634SS**Hα-helixtrans-64.1-37.4179-87.7-80.6-121.300113.3F105 K111F105-M107 VanDerWaalsContact C-N 3.34Å; M107-K111 WeakPolarHBondContact O-CB 3.06Å; M107-K111 PolarHBondContact O-N 2.03Å
108L56.3Low61.6Low133 Ų133118.9 Ų118.970%0.69663%0.625SS**Hα-helixtrans-72.4-39.8-179.5-70.2174.4000111.9D106 K111 R112D106-L108 PolarHBondContact O-N 2.87Å; L108-K111 PolarHBondContact O-N 2.99Å; L108-R112 PolarHBondContact O-N 3.49Å; L108-R112 VanDerWaalsContact O-N 3.08Å
109C60.4Low62.8Low71 Ų71120 Ų12048%0.4863%0.631SS.*Hα-helixtrans-65.9-42.3173.8-77.90000111.7R112 R113C109-R112 PolarHBondContact O-N 3.46Å; C109-R113 WeakPolarHBondContact O-CG 3.43Å; C109-R113 PolarHBondContact O-N 2.64Å
110K62.4Low63.9Low94 Ų94121.8 Ų121.841%0.40962%0.62SS.*Hα-helixtrans-63.2-42.1175-75.2175.8-178.9174.80112.2D106 R112 R113 K114D106-K110 WeakPolarHBondContact O-CB 3.3Å; D106-K110 VanDerWaalsContact O-CG 3.31Å; D106-K110 WeakPolarHBondContact O-CG 3.04Å; D106-K110 PolarHBondContact O-N 2.96Å; D106-K110 WeakPolarHBondContact OD2-CE 3.39Å; D106-K110 IonicContact OD2-NZ 3.53Å; K110-R112 PolarHBondContact O-N 3.04Å; K110-R113 PolarHBondContact O-N 3.17Å; K110-K114 WeakPolarHBondContact O-CB 2.98Å; K110-K114 VanDerWaalsContact O-CG 3.3Å; K110-K114 WeakPolarHBondContact O-CG 3.01Å; K110-K114 PolarHBondContact O-N 3.31Å
111K61.9Low65.4Low160 Ų160121 Ų12170%0.69660%0.604SS**Hα-helixtrans-65.8-38.8178.7-159.8170.9-173.3176.10112.1M107 L108 A115M107-K111 WeakPolarHBondContact O-CB 3.06Å; M107-K111 PolarHBondContact O-N 2.03Å; L108-K111 PolarHBondContact O-N 2.99Å; K111-A115 PolarHBondContact O-N 3.07Å; K111-A115 VanDerWaalsContact O-N 3.08Å
112R63.9Low66.8Low206 Ų206120.5 Ų120.578%0.77759%0.59SS**Hα-helixtrans-69.8-39.8176.7-147.2175.4-175.8-175.21.5112.2L108 C109 K110 A115 V116L108-R112 PolarHBondContact O-N 3.49Å; L108-R112 VanDerWaalsContact O-N 3.08Å; C109-R112 PolarHBondContact O-N 3.46Å; K110-R112 PolarHBondContact O-N 3.04Å; R112-A115 PolarHBondContact O-N 3.03Å; R112-V116 WeakPolarHBondContact O-CG2 3.31Å; R112-V116 PolarHBondContact O-N 2.04Å; R112-V116 VanDerWaalsContact O-N 3.12Å
113R64.8Low68.7Low183 Ų183118.6 Ų118.669%0.69158%0.579SS**Hα-helixtrans-63.4-46.6172.9-72.1-176.6-167.4-178.66.4112C109 K110 A115 V116 D117C109-R113 WeakPolarHBondContact O-CG 3.43Å; C109-R113 PolarHBondContact O-N 2.64Å; K110-R113 PolarHBondContact O-N 3.17Å; R113-A115 VanDerWaalsContact C-N 3.27Å; R113-A115 PolarHBondContact O-N 3Å; R113-V116 PolarHBondContact O-N 3.14Å; R113-V116 VanDerWaalsContact O-N 3.1Å; R113-D117 PolarHBondContact O-N 2.73Å
114K72.4Confident70.1Confident101 Ų101114.6 Ų114.644%0.43956%0.557SS.*Hα-helixtrans-57.7-36.9175.4-73.1178.4-179.8-176.40112.2D98 K110 T118D98-K114 IonicContact OD2-NZ 3.62Å; D98-K114 PolarHBondContact OD2-NZ 2.79Å; K110-K114 WeakPolarHBondContact O-CB 2.98Å; K110-K114 VanDerWaalsContact O-CG 3.3Å; K110-K114 WeakPolarHBondContact O-CG 3.01Å; K110-K114 PolarHBondContact O-N 3.31Å; K114-T118 VanDerWaalsContact O-CG2 3.27Å; K114-T118 WeakPolarHBondContact O-CG2 3.37Å; K114-T118 PolarHBondContact O-N 2.98Å; K114-T118 PolarHBondContact O-OG1 2.85Å
115A70.7Confident71.7Confident45 Ų45116.7 Ų116.737%0.37255%0.55SS.*Hα-helixtrans-68.8-41175.200000112.8K111 R112 R113 T118 I119K111-A115 PolarHBondContact O-N 3.07Å; K111-A115 VanDerWaalsContact O-N 3.08Å; R112-A115 PolarHBondContact O-N 3.03Å; R113-A115 VanDerWaalsContact C-N 3.27Å; R113-A115 PolarHBondContact O-N 3Å; A115-T118 WeakPolarHBondContact CA-OG1 2.99Å; A115-T118 PolarHBondContact O-OG1 2.86Å; A115-I119 WeakPolarHBondContact O-CD1 3.36Å; A115-I119 VanDerWaalsContact O-CG1 3.26Å; A115-I119 WeakPolarHBondContact O-CG1 3.39Å; A115-I119 PolarHBondContact O-N 3.21Å; A115-I119 VanDerWaalsContact O-N 3.12Å
116V73.3Confident73.3Confident90 Ų90112.3 Ų112.355%0.54553%0.532SS..Hα-helixtrans-66.4-41.9176.2174.80000111R112 R113 T118 I119 W120R112-V116 WeakPolarHBondContact O-CG2 3.31Å; R112-V116 PolarHBondContact O-N 2.04Å; R112-V116 VanDerWaalsContact O-N 3.12Å; R113-V116 PolarHBondContact O-N 3.14Å; R113-V116 VanDerWaalsContact O-N 3.1Å; V116-T118 PolarHBondContact O-N 3.28Å; V116-I119 PolarHBondContact O-N 3.32Å; V116-W120 WeakPolarHBondContact O-CB 3.26Å; V116-W120 PolarHBondContact O-N 2.88Å
117D76.9Confident74.8Confident96 Ų96113.2 Ų113.251%0.51353%0.534SS..Hα-helixtrans-65-39.2179-70.8-20.9000112R113 W120 K121R113-D117 PolarHBondContact O-N 2.73Å; D117-W120 PolarHBondContact O-N 3.19Å; D117-K121 WeakPolarHBondContact O-CB 3.42Å; D117-K121 PolarHBondContact O-N 2.83Å
118T82.5Confident76.5Confident89 Ų89110.8 Ų110.855%0.54652%0.523SS..Hα-helixtrans-67.5-39.8175.850.60000112K114 A115 V116 K122K114-T118 VanDerWaalsContact O-CG2 3.27Å; K114-T118 WeakPolarHBondContact O-CG2 3.37Å; K114-T118 PolarHBondContact O-N 2.98Å; K114-T118 PolarHBondContact O-OG1 2.85Å; A115-T118 WeakPolarHBondContact CA-OG1 2.99Å; A115-T118 PolarHBondContact O-OG1 2.86Å; V116-T118 PolarHBondContact O-N 3.28Å; T118-K122 VanDerWaalsContact O-CB 3.32Å; T118-K122 WeakPolarHBondContact O-CB 3.22Å; T118-K122 PolarHBondContact O-N 2.99Å
119I82Confident78.2Confident117 Ų117109.2 Ų109.260%0.652%0.519SS*.Hα-helixtrans-63.6-45.8174.3-67.4166000110.8A115 V116 K122 K123A115-I119 WeakPolarHBondContact O-CD1 3.36Å; A115-I119 VanDerWaalsContact O-CG1 3.26Å; A115-I119 WeakPolarHBondContact O-CG1 3.39Å; A115-I119 PolarHBondContact O-N 3.21Å; A115-I119 VanDerWaalsContact O-N 3.12Å; V116-I119 PolarHBondContact O-N 3.32Å; I119-K122 PolarHBondContact O-N 2.97Å; I119-K123 WeakPolarHBondContact O-CB 3.45Å; I119-K123 PolarHBondContact O-N 2.93Å
120W80.2Confident79.5Confident151 Ų151109.3 Ų109.357%0.57251%0.514SS*.Hα-helixtrans-65.8-42.6179.4-173.680.2000111.9V116 D117 K123 I124V116-W120 WeakPolarHBondContact O-CB 3.26Å; V116-W120 PolarHBondContact O-N 2.88Å; D117-W120 PolarHBondContact O-N 3.19Å; W120-K123 PolarHBondContact O-N 3.34Å; W120-I124 HydrophobicContact CD2-CD1 3.63Å; W120-I124 HydrophobicContact CD2-CG1 4.4Å; W120-I124 HydrophobicContact CE3-CD1 3.69Å; W120-I124 HydrophobicContact CH2-CD1 3.29Å; W120-I124 HydrophobicContact CZ2-CD1 3.23Å; W120-I124 HydrophobicContact CZ2-CG1 4.48Å; W120-I124 HydrophobicContact CZ3-CD1 3.52Å; W120-I124 WeakPolarHBondContact O-CG1 3.36Å; W120-I124 PolarHBondContact O-N 3.46Å
121K85.2Confident80.7Confident82 Ų82108.8 Ų108.836%0.35752%0.515SS..Hα-helixtrans-60.1-47.4174.9-174.4173.7-179.7175.50111.4T91 D117 K123 I124 E125T91-K121 PolarHBondContact OG1-NZ 3.46Å; D117-K121 WeakPolarHBondContact O-CB 3.42Å; D117-K121 PolarHBondContact O-N 2.83Å; K121-K123 VanDerWaalsContact C-N 3.34Å; K121-K123 PolarHBondContact O-N 2.88Å; K121-I124 PolarHBondContact O-N 3.33Å; K121-E125 WeakPolarHBondContact CE-OE1 3.4Å; K121-E125 WeakPolarHBondContact O-CG 3.38Å; K121-E125 PolarHBondContact O-N 3.47Å
122K87.9Confident82Confident130 Ų130107.2 Ų107.257%0.56551%0.51SS*.Hα-helixtrans-59.8-43.7176.5-171.5178.7178.9-179.40111.7T118 I119 I124 E125 E126T118-K122 VanDerWaalsContact O-CB 3.32Å; T118-K122 WeakPolarHBondContact O-CB 3.22Å; T118-K122 PolarHBondContact O-N 2.99Å; I119-K122 PolarHBondContact O-N 2.97Å; K122-I124 PolarHBondContact O-N 3.39Å; K122-E125 PolarHBondContact O-N 2.89Å; K122-E126 WeakPolarHBondContact CE-OE1 3.47Å; K122-E126 WeakPolarHBondContact O-CG 3.34Å; K122-E126 PolarHBondContact O-N 3.4Å
123K87.7Confident83.3Confident133 Ų13399.5 Ų99.558%0.57849%0.487SS*.Hα-helixtrans-62.5-40.7177.1-172173.1-175171.70112.4I119 W120 K121 E127I119-K123 WeakPolarHBondContact O-CB 3.45Å; I119-K123 PolarHBondContact O-N 2.93Å; W120-K123 PolarHBondContact O-N 3.34Å; K121-K123 VanDerWaalsContact C-N 3.34Å; K121-K123 PolarHBondContact O-N 2.88Å; K123-E127 WeakPolarHBondContact O-CG 3.39Å; K123-E127 PolarHBondContact O-N 3.05Å
124I83.7Confident84.5Confident57 Ų5796.6 Ų96.629%0.29248%0.479SS..Hα-helixtrans-66.9-43175.6-74-178.7000111.2W120 K121 K122 E126 E127 L128W120-I124 HydrophobicContact CD2-CD1 3.63Å; W120-I124 HydrophobicContact CD2-CG1 4.4Å; W120-I124 HydrophobicContact CE3-CD1 3.69Å; W120-I124 HydrophobicContact CH2-CD1 3.29Å; W120-I124 HydrophobicContact CZ2-CD1 3.23Å; W120-I124 HydrophobicContact CZ2-CG1 4.48Å; W120-I124 HydrophobicContact CZ3-CD1 3.52Å; W120-I124 WeakPolarHBondContact O-CG1 3.36Å; W120-I124 PolarHBondContact O-N 3.46Å; K121-I124 PolarHBondContact O-N 3.33Å; K122-I124 PolarHBondContact O-N 3.39Å; I124-E126 VanDerWaalsContact C-N 3.33Å; I124-E126 PolarHBondContact O-N 3.24Å; I124-E127 PolarHBondContact O-N 3.38Å; I124-L128 VanDerWaalsContact O-CB 3.28Å; I124-L128 WeakPolarHBondContact O-CB 3.39Å; I124-L128 PolarHBondContact O-N 3.48Å
125E88.7Confident85.3Confident108 Ų10895.1 Ų95.151%0.50548%0.476SS..Hα-helixtrans-60.9-42.8177.1-74.7174.3179.600111.4K121 K122 L128 V129K121-E125 WeakPolarHBondContact CE-OE1 3.4Å; K121-E125 WeakPolarHBondContact O-CG 3.38Å; K121-E125 PolarHBondContact O-N 3.47Å; K122-E125 PolarHBondContact O-N 2.89Å; E125-L128 PolarHBondContact O-N 2.97Å; E125-V129 VanDerWaalsContact O-CG2 3.32Å; E125-V129 WeakPolarHBondContact O-CG2 3.36Å; E125-V129 PolarHBondContact O-N 3.35Å
126E88.6Confident86.2Confident106 Ų10695.5 Ų95.550%0.49548%0.476SS..Hα-helixtrans-60.4-47.9174.3-74.9172.9-172.200112.2K122 I124 L128 V129 I130K122-E126 WeakPolarHBondContact CE-OE1 3.47Å; K122-E126 WeakPolarHBondContact O-CG 3.34Å; K122-E126 PolarHBondContact O-N 3.4Å; I124-E126 VanDerWaalsContact C-N 3.33Å; I124-E126 PolarHBondContact O-N 3.24Å; E126-L128 VanDerWaalsContact C-N 3.3Å; E126-L128 PolarHBondContact O-N 3.34Å; E126-V129 PolarHBondContact O-N 3.03Å; E126-I130 WeakPolarHBondContact O-CG1 3.39Å; E126-I130 PolarHBondContact O-N 2.96Å
127E87.8Confident87Confident100 Ų10099.2 Ų99.247%0.46748%0.48SS..Hα-helixtrans-61.7-38.5175.7-75.5-64.3154.100112K123 I124 I130 I131K123-E127 WeakPolarHBondContact O-CG 3.39Å; K123-E127 PolarHBondContact O-N 3.05Å; I124-E127 PolarHBondContact O-N 3.38Å; E127-I130 PolarHBondContact O-N 2.86Å; E127-I131 VanDerWaalsContact O-CG1 3.27Å; E127-I131 WeakPolarHBondContact O-CG1 3.35Å; E127-I131 PolarHBondContact O-N 3.08Å
128L88.9Confident87.5Confident75 Ų7599.4 Ų99.439%0.39348%0.48SS..Hα-helixtrans-67.5-38179.4-156.5147.5000111.3I80 I124 E125 E126 I131 H132I80-L128 HydrophobicContact CG2-CD1 4.47Å; I124-L128 VanDerWaalsContact O-CB 3.28Å; I124-L128 WeakPolarHBondContact O-CB 3.39Å; I124-L128 PolarHBondContact O-N 3.48Å; E125-L128 PolarHBondContact O-N 2.97Å; E126-L128 VanDerWaalsContact C-N 3.3Å; E126-L128 PolarHBondContact O-N 3.34Å; L128-I131 PolarHBondContact O-N 3.43Å; L128-H132 VanDerWaalsContact O-CB 3.31Å; L128-H132 WeakPolarHBondContact O-CB 3.36Å; L128-H132 PolarHBondContact O-N 2.85Å
129V91.8Very high87.7Confident100 Ų10099.2 Ų99.261%0.60648%0.475SS*.Hα-helixtrans-62.6-42.6171.7170.70000111.2E125 E126 H132 S133E125-V129 VanDerWaalsContact O-CG2 3.32Å; E125-V129 WeakPolarHBondContact O-CG2 3.36Å; E125-V129 PolarHBondContact O-N 3.35Å; E126-V129 PolarHBondContact O-N 3.03Å; V129-H132 PolarHBondContact O-N 3.24Å; V129-S133 WeakPolarHBondContact O-CB 2.92Å; V129-S133 PolarHBondContact O-N 2.88Å
130I88.9Confident88.1Confident73 Ų7397.3 Ų97.337%0.37447%0.467SS..Hα-helixtrans-63.3-45.6176.8-66.9166.6000110.7E126 E127 S133 K134E126-I130 WeakPolarHBondContact O-CG1 3.39Å; E126-I130 PolarHBondContact O-N 2.96Å; E127-I130 PolarHBondContact O-N 2.86Å; I130-S133 PolarHBondContact O-N 3.38Å; I130-K134 HydrophobicContact CG2-CD 4.12Å; I130-K134 WeakPolarHBondContact O-CG 3.43Å; I130-K134 PolarHBondContact O-N 3.34Å
131I87.8Confident88.3Confident82 Ų8293 Ų9342%0.42146%0.463SS..Hα-helixtrans-61.6-45.7177.5-69.5165.3000110.3E127 L128 S133 K134 L135E127-I131 VanDerWaalsContact O-CG1 3.27Å; E127-I131 WeakPolarHBondContact O-CG1 3.35Å; E127-I131 PolarHBondContact O-N 3.08Å; L128-I131 PolarHBondContact O-N 3.43Å; I131-S133 PolarHBondContact O-N 2.79Å; I131-K134 PolarHBondContact O-N 2.85Å; I131-L135 HydrophobicContact CG2-CD1 3.91Å; I131-L135 HydrophobicContact CG2-CG 4.44Å; I131-L135 WeakPolarHBondContact O-CB 3.44Å; I131-L135 WeakPolarHBondContact O-CG 3.17Å; I131-L135 PolarHBondContact O-N 2.79Å
132H88.7Confident88.1Confident128 Ų12893.2 Ų93.259%0.59347%0.468SS*.Hα-helixtrans-62.5-41.9177.6-170.5-100.7000111.9L128 V129 K134 L135 S136L128-H132 VanDerWaalsContact O-CB 3.31Å; L128-H132 WeakPolarHBondContact O-CB 3.36Å; L128-H132 PolarHBondContact O-N 2.85Å; V129-H132 PolarHBondContact O-N 3.24Å; H132-K134 PolarHBondContact O-N 3.01Å; H132-L135 PolarHBondContact O-N 2.95Å; H132-S136 WeakPolarHBondContact O-CB 3.48Å; H132-S136 PolarHBondContact O-N 3.3Å
133S90.1Very high88Confident43 Ų4392.8 Ų92.830%0.30147%0.466SS..Hα-helixtrans-59.7-45.7173.6-175.70000111.7V129 I130 I131 S136 R137V129-S133 WeakPolarHBondContact O-CB 2.92Å; V129-S133 PolarHBondContact O-N 2.88Å; I130-S133 PolarHBondContact O-N 3.38Å; I131-S133 PolarHBondContact O-N 2.79Å; S133-S136 PolarHBondContact O-N 3.21Å; S133-R137 WeakPolarHBondContact O-CG 3.03Å; S133-R137 PolarHBondContact O-N 3.42Å; S133-R137 PolarHBondContact OG-NE 3.45Å; S133-R137 PolarHBondContact OG-NH2 3.41Å; S133-R137 VanDerWaalsContact OG-NH2 3.16Å
134K90.6Very high87.7Confident122 Ų12293.7 Ų93.753%0.5347%0.47SS..Hα-helixtrans-62.4-44.5176.9-73.6171.8-178.8169.40111.5I130 I131 H132 R137 I138I130-K134 HydrophobicContact CG2-CD 4.12Å; I130-K134 WeakPolarHBondContact O-CG 3.43Å; I130-K134 PolarHBondContact O-N 3.34Å; I131-K134 PolarHBondContact O-N 2.85Å; H132-K134 PolarHBondContact O-N 3.01Å; K134-R137 PolarHBondContact O-N 3.48Å; K134-I138 VanDerWaalsContact O-CG1 3.31Å; K134-I138 WeakPolarHBondContact O-CG1 3.45Å; K134-I138 PolarHBondContact O-N 3.4Å
135L88.5Confident87.3Confident71 Ų7192.9 Ų92.937%0.37247%0.469SS..Hα-helixtrans-62.1-42.6176.4-76.4170000111.8L73 I131 H132 I138 N139L73-L135 HydrophobicContact CD1-CD2 4.03Å; I131-L135 HydrophobicContact CG2-CD1 3.91Å; I131-L135 HydrophobicContact CG2-CG 4.44Å; I131-L135 WeakPolarHBondContact O-CB 3.44Å; I131-L135 WeakPolarHBondContact O-CG 3.17Å; I131-L135 PolarHBondContact O-N 2.79Å; H132-L135 PolarHBondContact O-N 2.95Å; L135-I138 PolarHBondContact O-N 3.29Å; L135-N139 WeakPolarHBondContact O-CB 3.41Å; L135-N139 PolarHBondContact O-N 3.3Å
136S91.4Very high86.3Confident52 Ų5294.4 Ų94.436%0.36447%0.471SS..Hα-helixtrans-62-44.2176.4-174.70000111.9H132 S133 I138 N139 N140H132-S136 WeakPolarHBondContact O-CB 3.48Å; H132-S136 PolarHBondContact O-N 3.3Å; S133-S136 PolarHBondContact O-N 3.21Å; S136-I138 PolarHBondContact O-N 3.49Å; S136-N139 PolarHBondContact O-N 3.08Å; S136-N140 WeakPolarHBondContact O-CB 3.45Å; S136-N140 PolarHBondContact O-N 2.87Å
137R89.7Confident85.3Confident169 Ų16997.8 Ų97.864%0.63849%0.485SS*.Hα-helixtrans-60-45174.6-70.3179.4-139.7-164.83112.2S133 K134 N139 N140 A141S133-R137 WeakPolarHBondContact O-CG 3.03Å; S133-R137 PolarHBondContact O-N 3.42Å; S133-R137 PolarHBondContact OG-NE 3.45Å; S133-R137 PolarHBondContact OG-NH2 3.41Å; S133-R137 VanDerWaalsContact OG-NH2 3.16Å; K134-R137 PolarHBondContact O-N 3.48Å; R137-N139 VanDerWaalsContact C-N 3.35Å; R137-N140 PolarHBondContact O-N 3.25Å; R137-A141 WeakPolarHBondContact O-CB 3.33Å; R137-A141 PolarHBondContact O-N 2.93Å
138I87Confident83.8Confident100 Ų10099 Ų9951%0.51349%0.493SS..Hα-helixtrans-62.2-45177-68165.7000110.2K134 L135 S136 N140 A141 L142K134-I138 VanDerWaalsContact O-CG1 3.31Å; K134-I138 WeakPolarHBondContact O-CG1 3.45Å; K134-I138 PolarHBondContact O-N 3.4Å; L135-I138 PolarHBondContact O-N 3.29Å; S136-I138 PolarHBondContact O-N 3.49Å; I138-N140 PolarHBondContact O-N 3.33Å; I138-A141 PolarHBondContact O-N 3.49Å; I138-L142 HydrophobicContact CG2-CD1 4.09Å; I138-L142 HydrophobicContact CG2-CG 4.48Å; I138-L142 WeakPolarHBondContact O-CB 3.25Å; I138-L142 VanDerWaalsContact O-CG 3.3Å; I138-L142 WeakPolarHBondContact O-CG 3.31Å; I138-L142 PolarHBondContact O-N 3.37Å
139N87.2Confident82.1Confident84 Ų8498.6 Ų98.645%0.44950%0.501SS..Hα-helixtrans-63.2-41.7179.3-164.921.2000111.9L135 S136 R137 L142 K143L135-N139 WeakPolarHBondContact O-CB 3.41Å; L135-N139 PolarHBondContact O-N 3.3Å; S136-N139 PolarHBondContact O-N 3.08Å; R137-N139 VanDerWaalsContact C-N 3.35Å; N139-L142 PolarHBondContact O-N 3.06Å; N139-K143 WeakPolarHBondContact O-CG 3.26Å; N139-K143 PolarHBondContact O-N 3.4Å
140N88.7Confident80.1Confident78 Ų7898 Ų9842%0.41750%0.499SS..Hα-helixtrans-67-40.3176-74-18.6000112.3S136 R137 I138 L142 K143 K144S136-N140 WeakPolarHBondContact O-CB 3.45Å; S136-N140 PolarHBondContact O-N 2.87Å; R137-N140 PolarHBondContact O-N 3.25Å; I138-N140 PolarHBondContact O-N 3.33Å; N140-L142 VanDerWaalsContact C-N 3.33Å; N140-L142 PolarHBondContact O-N 3.33Å; N140-K143 PolarHBondContact O-N 3.27Å; N140-K144 WeakPolarHBondContact O-CB 3.46Å; N140-K144 WeakPolarHBondContact O-CG 3.45Å; N140-K144 PolarHBondContact O-N 3.01Å
141A84.7Confident78.5Confident60 Ų60103.5 Ų103.550%0.49652%0.523SS..Hα-helixtrans-61.6-42.4173.700000111.4R137 I138 K144 S145R137-A141 WeakPolarHBondContact O-CB 3.33Å; R137-A141 PolarHBondContact O-N 2.93Å; I138-A141 PolarHBondContact O-N 3.49Å; A141-K144 PolarHBondContact O-N 2.98Å; A141-S145 PolarHBondContact O-N 3.29Å
142L82.4Confident76.8Confident86 Ų86106.6 Ų106.645%0.4554%0.54SS..Hα-helixtrans-63.2-48.9174.3-70.6173.7000111.3I138 N139 N140 K144 S145 Y146I138-L142 HydrophobicContact CG2-CD1 4.09Å; I138-L142 HydrophobicContact CG2-CG 4.48Å; I138-L142 WeakPolarHBondContact O-CB 3.25Å; I138-L142 VanDerWaalsContact O-CG 3.3Å; I138-L142 WeakPolarHBondContact O-CG 3.31Å; I138-L142 PolarHBondContact O-N 3.37Å; N139-L142 PolarHBondContact O-N 3.06Å; N140-L142 VanDerWaalsContact C-N 3.33Å; N140-L142 PolarHBondContact O-N 3.33Å; L142-K144 VanDerWaalsContact C-N 3.33Å; L142-K144 PolarHBondContact O-N 2.87Å; L142-S145 PolarHBondContact O-N 2.95Å; L142-S145 VanDerWaalsContact O-N 3.11Å; L142-S145 PolarHBondContact O-OG 2.87Å; L142-Y146 WeakPolarHBondContact O-CD2 3.38Å; L142-Y146 PolarHBondContact O-N 3.21Å
143K83.9Confident75Confident121 Ų121105.5 Ų105.553%0.52655%0.554SS.*Hα-helixtrans-56.4-44.4176.3-77-178.4179.2-178.70112.3N139 N140 Y146 K147N139-K143 WeakPolarHBondContact O-CG 3.26Å; N139-K143 PolarHBondContact O-N 3.4Å; N140-K143 PolarHBondContact O-N 3.27Å; K143-Y146 PolarHBondContact O-N 3.06Å; K143-K147 PolarHBondContact O-N 2.96Å; K143-K147 VanDerWaalsContact O-N 3.09Å
144K82Confident73.3Confident152 Ų152108.8 Ų108.866%0.66158%0.576SS**Hα-helixtrans-60.8-43.5175.2-74.1-179.1178.6-172.60111.7N140 A141 L142 Y146 K147 I148N140-K144 WeakPolarHBondContact O-CB 3.46Å; N140-K144 WeakPolarHBondContact O-CG 3.45Å; N140-K144 PolarHBondContact O-N 3.01Å; A141-K144 PolarHBondContact O-N 2.98Å; L142-K144 VanDerWaalsContact C-N 3.33Å; L142-K144 PolarHBondContact O-N 2.87Å; K144-Y146 VanDerWaalsContact C-N 3.28Å; K144-Y146 PolarHBondContact O-N 3.23Å; K144-K147 PolarHBondContact O-N 3.24Å; K144-I148 WeakPolarHBondContact O-CG1 3.4Å; K144-I148 PolarHBondContact O-N 3.07Å
145S76Confident71.4Confident41 Ų41106 Ų10629%0.28757%0.573SS.*Hα-helixtrans-63.8-31.3177.673.60000113.5A141 L142A141-S145 PolarHBondContact O-N 3.29Å; L142-S145 PolarHBondContact O-N 2.95Å; L142-S145 VanDerWaalsContact O-N 3.11Å; L142-S145 PolarHBondContact O-OG 2.87Å
146Y68.4Low69.9Low139 Ų139110 Ų11055%0.54559%0.587SS.*Hα-helixtrans-76.2-34.6176-90-82.8000113L142 K143 K144 I148 A149L142-Y146 WeakPolarHBondContact O-CD2 3.38Å; L142-Y146 PolarHBondContact O-N 3.21Å; K143-Y146 PolarHBondContact O-N 3.06Å; K144-Y146 VanDerWaalsContact C-N 3.28Å; K144-Y146 PolarHBondContact O-N 3.23Å; Y146-I148 VanDerWaalsContact C-N 3.3Å; Y146-I148 PolarHBondContact O-N 3.39Å; Y146-A149 WeakPolarHBondContact O-CB 3.38Å; Y146-A149 PolarHBondContact O-N 3.26Å
147K66.2Low68.3Low178 Ų178112.6 Ų112.677%0.77460%0.6SS**Hα-helixtrans-71.4-20.5178.7-73.9-170.7176.6-168.10114.1K143 K144 A149 P150K143-K147 PolarHBondContact O-N 2.96Å; K143-K147 VanDerWaalsContact O-N 3.09Å; K144-K147 PolarHBondContact O-N 3.24Å; K147-A149 VanDerWaalsContact C-N 3.26Å; K147-P150 VanDerWaalsContact O-CD 3.31Å; K147-P150 WeakPolarHBondContact O-CD 3.43Å
148I57.7Low66.9Low124 Ų124107.5 Ų107.564%0.63659%0.589SS**THydrogen-bonded Turntrans-83.1-5.9176.1-58.5163.3000111.2K144 Y146K144-I148 WeakPolarHBondContact O-CG1 3.4Å; K144-I148 PolarHBondContact O-N 3.07Å; Y146-I148 VanDerWaalsContact C-N 3.3Å; Y146-I148 PolarHBondContact O-N 3.39Å
149A52.9Low65.7Low68 Ų68106.6 Ų106.656%0.56259%0.587SS**SBendtrans-93.1-11.9-171.400000117.8Y146 K147Y146-A149 WeakPolarHBondContact O-CB 3.38Å; Y146-A149 PolarHBondContact O-N 3.26Å; K147-A149 VanDerWaalsContact C-N 3.26Å
150P49.3Very low64.7Low87 Ų87107 Ų10757%0.56560%0.596SS**SBendtrans-107.4114.6166.533.1-18.9000108.2K147K147-P150 VanDerWaalsContact O-CD 3.31Å; K147-P150 WeakPolarHBondContact O-CD 3.43Å
151Q55.8Low63.8Low188 Ų188110.4 Ų110.488%0.87961%0.605SS**SBendtrans171.3-21.9142.4-76.6-130.7-9.100112.1
152N50.8Low62.9Low147 Ų147114.9 Ų114.979%0.78661%0.609SS**  trans-118.386.9177.8-65.6-14.9000112.3S154N152-S154 PolarHBondContact O-N 2.03Å
153A51.4Low62.4Low106 Ų106114.6 Ų114.688%0.87661%0.606SS**THydrogen-bonded Turntrans-71.617.1-175.500000116.1
154S54.7Low61.9Low111 Ų111110.9 Ų110.978%0.77660%0.598SS**THydrogen-bonded Turntrans-106.8-21.9-172.2-175.70000115.3N152N152-S154 PolarHBondContact O-N 2.03Å
155S51.6Low61.6Low65 Ų65111.7 Ų111.746%0.45560%0.597SS.*  trans-112.677.9-172.6-38.60000112.8T157 T158S155-T157 PolarHBondContact O-N 3.12Å; S155-T158 PolarHBondContact O-N 3.18Å; S155-T158 PolarHBondContact O-OG1 3Å
156K56.5Low61.6Low154 Ų154114.4 Ų114.467%0.6761%0.608SS**THydrogen-bonded Turntrans-62.2-11.4-178.4-75.6172.3-177.6162.60114.7
157T57.6Low62Low106 Ų106113.2 Ų113.265%0.6561%0.61SS**THydrogen-bonded Turntrans-90.1-24.7-177.148.30000114.4S155S155-T157 PolarHBondContact O-N 3.12Å
158T60.1Low62.5Low63 Ų63109.5 Ų109.539%0.38760%0.599SS.*Hα-helixtrans-79.4-30.7-171.737.40000114.1S155 R162S155-T158 PolarHBondContact O-N 3.18Å; S155-T158 PolarHBondContact O-OG1 3Å; T158-R162 WeakPolarHBondContact O-CB 3.43Å; T158-R162 VanDerWaalsContact O-CG 3.27Å; T158-R162 WeakPolarHBondContact O-CG 3.27Å; T158-R162 PolarHBondContact O-N 3.28Å
159V62.1Low63.3Low81 Ų81106.7 Ų106.749%0.49159%0.59SS.*Hα-helixtrans-69.6-41.8-178.6-179.20000111.6R162 M163V159-R162 PolarHBondContact O-N 3.07Å; V159-M163 WeakPolarHBondContact O-CB 3.36Å; V159-M163 PolarHBondContact O-N 3.47Å
160S66.2Low64.2Low91 Ų91108.3 Ų108.364%0.63659%0.589SS**Hα-helixtrans-64.8-44.8177.7-170.90000111.3R162 M163 A164S160-R162 PolarHBondContact O-N 3.42Å; S160-M163 PolarHBondContact O-N 3.02Å; S160-A164 WeakPolarHBondContact O-CB 3.32Å; S160-A164 PolarHBondContact O-N 3.23Å
161Y68.8Low65.5Low151 Ų151110.9 Ų110.959%0.59259%0.591SS**Hα-helixtrans-63.1-42.9177-175.9-97.3000112.3A164 R165Y161-A164 PolarHBondContact O-N 3.31Å; Y161-R165 VanDerWaalsContact O-CB 3.31Å; Y161-R165 WeakPolarHBondContact O-CB 3.31Å; Y161-R165 PolarHBondContact O-N 3.3Å
162R67.3Low66.2Low154 Ų154109 Ų10958%0.58158%0.58SS**Hα-helixtrans-65.1-40177-75.7179.6-179.8-167.70.6112.4T158 V159 S160 R165 L166T158-R162 WeakPolarHBondContact O-CB 3.43Å; T158-R162 VanDerWaalsContact O-CG 3.27Å; T158-R162 WeakPolarHBondContact O-CG 3.27Å; T158-R162 PolarHBondContact O-N 3.28Å; V159-R162 PolarHBondContact O-N 3.07Å; S160-R162 PolarHBondContact O-N 3.42Å; R162-R165 PolarHBondContact O-N 2.97Å; R162-L166 PolarHBondContact O-N 2.92Å
163M71.2Confident66.8Low79 Ų79108.8 Ų108.839%0.38957%0.574SS.*Hα-helixtrans-67.6-42.3177-148.891.897.200111.4L62 V159 S160 R165 L166 L167L62-M163 HydrophobicContact CD2-CE 4.35Å; V159-M163 WeakPolarHBondContact O-CB 3.36Å; V159-M163 PolarHBondContact O-N 3.47Å; S160-M163 PolarHBondContact O-N 3.02Å; M163-R165 VanDerWaalsContact C-N 3.33Å; M163-R165 PolarHBondContact O-N 3.43Å; M163-L166 PolarHBondContact O-N 3.27Å; M163-L167 WeakPolarHBondContact O-CG 3.44Å; M163-L167 PolarHBondContact O-N 3.45Å
164A72.6Confident67.1Low44 Ų44113.3 Ų113.336%0.36457%0.569SS.*Hα-helixtrans-62.6-39.3174.100000111.8S160 Y161 L167 N168S160-A164 WeakPolarHBondContact O-CB 3.32Å; S160-A164 PolarHBondContact O-N 3.23Å; Y161-A164 PolarHBondContact O-N 3.31Å; A164-L167 PolarHBondContact O-N 3.12Å; A164-N168 WeakPolarHBondContact O-CB 3.34Å; A164-N168 PolarHBondContact O-N 3.44Å
165R76.4Confident67.3Low168 Ų168114.8 Ų114.863%0.63457%0.567SS**Hα-helixtrans-63.7-41.7175.1-162.2174.6-176.7176.71.8111.8Y161 R162 M163 N168 S169Y161-R165 VanDerWaalsContact O-CB 3.31Å; Y161-R165 WeakPolarHBondContact O-CB 3.31Å; Y161-R165 PolarHBondContact O-N 3.3Å; R162-R165 PolarHBondContact O-N 2.97Å; M163-R165 VanDerWaalsContact C-N 3.33Å; M163-R165 PolarHBondContact O-N 3.43Å; R165-N168 PolarHBondContact O-N 2.93Å; R165-S169 WeakPolarHBondContact O-CB 3Å; R165-S169 PolarHBondContact O-N 2.95Å; R165-S169 PolarHBondContact O-OG 2.88Å
166L75.7Confident67.5Low99 Ų99121.2 Ų121.252%0.51858%0.581SS.*Hα-helixtrans-64.8-43.9174.3-82166.9000112.5R162 M163 N168 S169 L170R162-L166 PolarHBondContact O-N 2.92Å; M163-L166 PolarHBondContact O-N 3.27Å; L166-N168 VanDerWaalsContact C-N 3.34Å; L166-N168 PolarHBondContact O-N 2.83Å; L166-S169 PolarHBondContact O-N 3.45Å; L166-L170 WeakPolarHBondContact O-CG 3.14Å; L166-L170 PolarHBondContact O-N 2.9Å
167L76.8Confident67Low114 Ų114116.5 Ų116.560%0.59758%0.577SS**Hα-helixtrans-63-40.8176.4-73.6170.6000111.7M163 A164 L170 K171M163-L167 WeakPolarHBondContact O-CG 3.44Å; M163-L167 PolarHBondContact O-N 3.45Å; A164-L167 PolarHBondContact O-N 3.12Å; L167-L170 PolarHBondContact O-N 3.48Å; L167-K171 WeakPolarHBondContact O-CB 3.41Å; L167-K171 PolarHBondContact O-N 3.23Å
168N75.8Confident66.6Low99 Ų99119.6 Ų119.653%0.52959%0.59SS.*Hα-helixtrans-67.4-38.5174.9-80.4-20.2000112.5A164 R165 L166 K171 K172A164-N168 WeakPolarHBondContact O-CB 3.34Å; A164-N168 PolarHBondContact O-N 3.44Å; R165-N168 PolarHBondContact O-N 2.93Å; L166-N168 VanDerWaalsContact C-N 3.34Å; L166-N168 PolarHBondContact O-N 2.83Å; N168-K171 PolarHBondContact O-N 3.37Å; N168-K172 WeakPolarHBondContact O-CB 3.47Å; N168-K172 WeakPolarHBondContact O-CG 3.45Å; N168-K172 PolarHBondContact O-N 2.95Å
169S75.9Confident65.9Low66 Ų66121.9 Ų121.946%0.46260%0.603SS.*Hα-helixtrans-63.6-41.6173.6-75.90000112.3R165 L166 K172 Q173R165-S169 WeakPolarHBondContact O-CB 3Å; R165-S169 PolarHBondContact O-N 2.95Å; R165-S169 PolarHBondContact O-OG 2.88Å; L166-S169 PolarHBondContact O-N 3.45Å; S169-K172 PolarHBondContact O-N 3.47Å; S169-Q173 PolarHBondContact O-N 3.08Å
170L72.1Confident65.5Low102 Ų102126.2 Ų126.253%0.53462%0.618SS.*Hα-helixtrans-66.7-38175.1-75.3168.4000112.1L166 L167 Q173 R174L166-L170 WeakPolarHBondContact O-CG 3.14Å; L166-L170 PolarHBondContact O-N 2.9Å; L167-L170 PolarHBondContact O-N 3.48Å; L170-Q173 PolarHBondContact O-N 3.27Å; L170-R174 PolarHBondContact O-N 2.02Å; L170-R174 VanDerWaalsContact O-N 3.09Å
171K74.9Confident64.6Low140 Ų140127.1 Ų127.161%0.60962%0.622SS**Hα-helixtrans-64.9-40.7174.2-166.6175.8-179.3-177.30111.4L167 N168 R174 L175L167-K171 WeakPolarHBondContact O-CB 3.41Å; L167-K171 PolarHBondContact O-N 3.23Å; N168-K171 PolarHBondContact O-N 3.37Å; K171-R174 PolarHBondContact O-N 2.77Å; K171-L175 PolarHBondContact O-N 2.98Å; K171-L175 VanDerWaalsContact O-N 3.17Å
172K70.8Confident63.4Low150 Ų150131.4 Ų131.465%0.65264%0.637SS**Hα-helixtrans-66.7-37.3173.9-77.3-175.2176.6-172.20112.7N168 S169 R174 L175 R176N168-K172 WeakPolarHBondContact O-CB 3.47Å; N168-K172 WeakPolarHBondContact O-CG 3.45Å; N168-K172 PolarHBondContact O-N 2.95Å; S169-K172 PolarHBondContact O-N 3.47Å; K172-R174 VanDerWaalsContact C-N 3.3Å; K172-R174 PolarHBondContact O-N 2.97Å; K172-L175 PolarHBondContact O-N 3.03Å; K172-R176 PolarHBondContact O-N 3.3Å
173Q63.9Low62.6Low141 Ų141129 Ų12966%0.65964%0.644SS**Hα-helixtrans-65.2-32.3173.3-81-171.4-25.200112.8S169 L170S169-Q173 PolarHBondContact O-N 3.08Å; L170-Q173 PolarHBondContact O-N 3.27Å
174R58.7Low61.3Low202 Ų202128.8 Ų128.876%0.76266%0.662SS**Hα-helixtrans-69.2-33171.5-82.3-176.1172.6-176.7-4.5113.4L170 K171 K172L170-R174 PolarHBondContact O-N 2.02Å; L170-R174 VanDerWaalsContact O-N 3.09Å; K171-R174 PolarHBondContact O-N 2.77Å; K172-R174 VanDerWaalsContact C-N 3.3Å; K172-R174 PolarHBondContact O-N 2.97Å
175L57.6Low60.3Low142 Ų142132.4 Ų132.474%0.74368%0.682SS**Hα-helixtrans-79.3-26176.3-68.1169.1000112.7K171 K172 G177K171-L175 PolarHBondContact O-N 2.98Å; K171-L175 VanDerWaalsContact O-N 3.17Å; K172-L175 PolarHBondContact O-N 3.03Å; L175-G177 PolarHBondContact O-N 3.09Å
176R55.8Low58.7Low199 Ų199134.3 Ų134.375%0.75170%0.695SS**THydrogen-bonded Turntrans-8830.6169.7-87.4-169.9173.2-137.32113.1K172 N178K172-R176 PolarHBondContact O-N 3.3Å; R176-N178 PolarHBondContact O-N 2.9Å
177G47.1Very low57.9Low56 Ų56135.8 Ų135.858%0.57771%0.708SS**THydrogen-bonded Turntrans-54.8116.2167.800000110.2L175L175-G177 PolarHBondContact O-N 3.09Å
178N49Very low56.4Low171 Ų171136 Ų13691%0.91472%0.716SS**THydrogen-bonded Turntrans77.232.1157.7-115.730.4000120.2R176R176-N178 PolarHBondContact O-N 2.9Å
179T45.4Very low55.1Low110 Ų110142.9 Ų142.968%0.67573%0.734SS**  trans-111.897.8153.736.80000109.1P181T179-P181 WeakPolarHBondContact O-CD 3.47Å
180Q53Low53.9Low173 Ų173149.9 Ų149.981%0.80876%0.757SS**  trans-52.8125162.4-110.4-159.61.700108.2R182Q180-R182 PolarHBondContact O-N 2.04Å
181P48.2Very low52.5Low109 Ų109148.6 Ų148.671%0.70877%0.767SS**  trans-76.7103.6157.626.2-17.4000106.7T179 S183T179-P181 WeakPolarHBondContact O-CD 3.47Å; P181-S183 PolarHBondContact O-N 2.86Å
182R43.5Very low51.2Low241 Ų241148 Ų14891%0.90978%0.778SS**  trans-60.993.1156.8-100.2-175167-160.3-1.6106.8Q180Q180-R182 PolarHBondContact O-N 2.04Å
183S50.8Low50.1Low105 Ų105150.6 Ų150.673%0.73479%0.789SS**  trans-105.496.9159.954.70000106.9P181P181-S183 PolarHBondContact O-N 2.86Å
184G43Very low49Very low73 Ų73149.1 Ų149.175%0.75379%0.792SS**  trans-77.8157167.300000111
185P51.7Low48.4Very low121 Ų121144.1 Ų144.179%0.78679%0.788SS**  trans-108.1136.6142.42.417.9000109.9
186F44.1Very low47.7Very low208 Ų208144.1 Ų144.191%0.91279%0.789SS**  trans-35.2126.8175.4-73.9-102.8000116.1
187V58.8Low47.1Very low130 Ų130142.9 Ų142.979%0.78880%0.796SS**  trans-138.7117146.8-176.50000107.6
188P43.5Very low46.6Very low118 Ų118148 Ų14877%0.76681%0.809SS**  trans-91.8113.5171.931.9-24.5000109.2
189R49.6Very low46.2Very low244 Ų244147.7 Ų147.792%0.92181%0.807SS**  trans-141.6116.2160.6-123.9178.5-176.3-166.60.3112.2
190K49.5Very low45.6Very low213 Ų213148.5 Ų148.593%0.92682%0.817SS**  trans-34.2145.7172-67.1169.1170.3-178.70115.9
191G44.1Very low44.9Very low74 Ų74146.2 Ų146.276%0.76382%0.815SS**  trans137.1103.6144.800000115.8
192P46.8Very low44.4Very low127 Ų127144.5 Ų144.583%0.82582%0.817SS**  trans-100.4154-177.337.4-30000113
193K48.5Very low44.5Very low206 Ų206138.3 Ų138.390%0.89681%0.811SS**  trans-157.6127.6143.3-129.7173-176.1176.70111
194P40.7Very low44Very low110 Ų110137.8 Ų137.871%0.71481%0.805SS**  trans-95.6173.8177.138.9-32.7000111.6
195S45.5Very low44.2Very low97 Ų97142.2 Ų142.268%0.67880%0.803SS**  trans116.7126155.3-54.70000115.2
196D43.7Very low43.8Very low142 Ų142141.2 Ų141.276%0.75981%0.805SS**  trans79.498151.7-47.7-28.8000117.1
197L43Very low44.4Very low172 Ų172139.7 Ų139.790%0.90180%0.798SS**  179.4124.393.3-85.6168.2000110.5
198L37Very low44.2Very low163 Ų163142.5 Ų142.585%0.85380%0.8SS**  trans-53.8129.4167.7-64.3159000110.2
199L40.1Very low44.7Very low165 Ų165142 Ų14286%0.86480%0.797SS**  trans-156.5108.4141.4-115.3100.3000108.2T201L199-T201 PolarHBondContact O-N 2.97Å
200S31.8Very low44.7Very low127 Ų127138 Ų13889%0.88879%0.793SS**  trans-76.6105.6178.1-169.70000109.3
201T39.8Very low44.7Very low126 Ų126133.1 Ų133.177%0.77378%0.776SS**  trans-129.683.7165.1-13.80000108.1L199 S203L199-T201 PolarHBondContact O-N 2.97Å; T201-S203 PolarHBondContact O-N 3.01Å
202G37.6Very low45Very low72 Ų72138 Ų13874%0.74278%0.776SS**PPolyproline II helixtrans-58.7116.8174.100000110.7
203S45.2Very low44.9Very low112 Ų112137.9 Ų137.978%0.78377%0.769SS**PPolyproline II helixtrans-53.9134.8-176.662.30000114T201T201-S203 PolarHBondContact O-N 3.01Å
204P40.4Very low45.1Very low94 Ų94134.8 Ų134.861%0.6176%0.761SS**PPolyproline II helixtrans-98.9150.9154.834.4-24.4000109.9
205F46.8Very low45.6Very low165 Ų165132.5 Ų132.572%0.72475%0.748SS**  trans89.955.1164.2-44.6-66.5000119.4K207F205-K207 HydrophobicContact CB-CG 4.27Å; F205-K207 PolarHBondContact O-N 3.12Å
206A43.8Very low46.2Very low100 Ų100132.1 Ų132.183%0.82674%0.741SS**  trans-71.377.5142.900000109.5K208A206-K208 PolarHBondContact O-N 3.37Å
207K56.7Low47Very low176 Ų176135.5 Ų135.577%0.76575%0.749SS**  trans-66.196.9173.3-74.9177.5-179.1-179.20109.1F205F205-K207 HydrophobicContact CB-CG 4.27Å; F205-K207 PolarHBondContact O-N 3.12Å
208K53.3Low48.5Very low189 Ų189135.6 Ų135.682%0.82274%0.742SS**  trans-57.7131.1168.5-71171-179.5173.90108.6A206 L210A206-K208 PolarHBondContact O-N 3.37Å; K208-L210 PolarHBondContact O-N 2.89Å
209P54.1Low50.8Low107 Ų107132.2 Ų132.270%0.69572%0.719SS**  trans-63.1125.6176.424.5-31.4000109.7I211P209-I211 VanDerWaalsContact C-N 3.28Å; P209-I211 PolarHBondContact O-N 3.1Å
210L50.8Low52.8Low162 Ų162125.3 Ų125.385%0.84869%0.687SS**  trans-63.386.9170.6-73.8166.6000109.3K208K208-L210 PolarHBondContact O-N 2.89Å
211I49.7Very low55.5Low109 Ų109123 Ų12356%0.55967%0.671SS**  trans-87.5106.9163.1-61.4175.9000105.6P209 D213P209-I211 VanDerWaalsContact C-N 3.28Å; P209-I211 PolarHBondContact O-N 3.1Å; I211-D213 PolarHBondContact O-N 3.27Å
212F49.4Very low57.9Low176 Ų176123.4 Ų123.477%0.77266%0.659SS**  trans-62.180.1162.6-71.8-89.7000108.7L214F212-L214 VanDerWaalsContact C-N 3.31Å; F212-L214 HydrophobicContact CB-CD1 4.26Å; F212-L214 PolarHBondContact O-N 2.89Å; F212-L214 VanDerWaalsContact O-N 3.07Å
213D46.1Very low60.3Low125 Ų125121 Ų12167%0.66863%0.633SS**  trans-69.399.2158.1-100.9-25.6000106I211 S215I211-D213 PolarHBondContact O-N 3.27Å; D213-S215 PolarHBondContact O-N 3.35Å
214L52.4Low62.3Low142 Ų142117.2 Ų117.274%0.74361%0.607SS**  trans-64.768.7166-92.593.5000109.1F212 V216F212-L214 VanDerWaalsContact C-N 3.31Å; F212-L214 HydrophobicContact CB-CD1 4.26Å; F212-L214 PolarHBondContact O-N 2.89Å; F212-L214 VanDerWaalsContact O-N 3.07Å; L214-V216 HydrophobicContact CB-CG2 3.81Å; L214-V216 HydrophobicContact CD2-CG2 3.75Å; L214-V216 HydrophobicContact CG-CG2 4.1Å; L214-V216 PolarHBondContact O-N 2.9Å
215S49.5Very low64.7Low61 Ų61117.3 Ų117.343%0.42761%0.605SS.*  trans-74.768.7155.1166.90000107.4D213 K217 K218 Y219D213-S215 PolarHBondContact O-N 3.35Å; S215-K217 PolarHBondContact O-N 3.46Å; S215-K218 PolarHBondContact O-N 3.46Å; S215-Y219 WeakPolarHBondContact O-CE2 3.26Å
216V58.2Low66.8Low89 Ų89109.5 Ų109.554%0.53957%0.572SS.*G310 helixtrans-60.3-17.2-176.6-171.60000112.1L214 K218L214-V216 HydrophobicContact CB-CG2 3.81Å; L214-V216 HydrophobicContact CD2-CG2 3.75Å; L214-V216 HydrophobicContact CG-CG2 4.1Å; L214-V216 PolarHBondContact O-N 2.9Å; V216-K218 VanDerWaalsContact C-N 3.33Å; V216-K218 PolarHBondContact O-N 2.99Å
217K60.5Low69Low213 Ų213113.2 Ų113.293%0.92657%0.569SS**G310 helixtrans-77.9-6.7-178.6-71.2-167.2173.3-1680115.6S215S215-K217 PolarHBondContact O-N 3.46Å
218K76.4Confident70.6Confident175 Ų175108.3 Ų108.376%0.76155%0.551SS**G310 helixtrans-106.4-1.2-174-139.9-177.3-175.7-1760114.6S215 V216S215-K218 PolarHBondContact O-N 3.46Å; V216-K218 VanDerWaalsContact C-N 3.33Å; V216-K218 PolarHBondContact O-N 2.99Å
219Y83.5Confident72.4Confident92 Ų92102.7 Ų102.736%0.36153%0.528SS..SBendtrans-101.8132.5-178.3-59.2-76.9000110.3S215 R230 Q231 C232S215-Y219 WeakPolarHBondContact O-CE2 3.26Å; Y219-R230 WeakPolarHBondContact CD1-O 3.47Å; Y219-R230 VanDerWaalsContact CE1-O 3.26Å; Y219-R230 WeakPolarHBondContact CE1-O 3.33Å; Y219-Q231 CarbonylContact C-O 3.54Å; Y219-Q231 WeakPolarHBondContact CA-O 3.33Å; Y219-C232 VanDerWaalsContact CD1-O 3.22Å; Y219-C232 WeakPolarHBondContact CD1-O 2.95Å
220G83.6Confident74.2Confident19 Ų19108 Ų10820%0.19653%0.534CS..BIsolated β-bridgetrans-67.1140.917200000112.4S224 Q231 K233G220-S224 WeakPolarHBondContact CA-OG 3.32Å; G220-Q231 PolarHBondContact N-O 3.04Å; G220-K233 PolarHBondContact O-N 3.3Å
221S87.9Confident76.1Confident79 Ų79103.8 Ų103.855%0.55251%0.51SS*.PPolyproline II helixtrans-79.8173.2172.3-630000111G223 S224 C255S221-G223 PolarHBondContact O-N 3.08Å; S221-S224 PolarHBondContact N-OG 3.48Å; S221-S224 VanDerWaalsContact O-CB 3.31Å; S221-S224 WeakPolarHBondContact O-CB 3.36Å; S221-S224 PolarHBondContact O-N 2.89Å; S221-S224 PolarHBondContact O-OG 3.05Å; S221-C255 WeakPolarHBondContact O-CB 3.27Å
222R89.5Confident78Confident135 Ų13598.8 Ų98.851%0.50948%0.484SS..THydrogen-bonded Turntrans-51.4131.5171.6-175.8178.8167.4179.2-6.7109.9S224 L236 D246 F247 C255R222-S224 VanDerWaalsContact C-N 3.33Å; R222-S224 PolarHBondContact O-N 3.01Å; R222-L236 HydrophobicContact CB-CD2 4.41Å; R222-D246 IonicContact NH2-OD2 2.72Å; R222-F247 HydrophobicContact CG-CZ 4.03Å; R222-C255 CarbonylContact C-O 3.55Å; R222-C255 WeakPolarHBondContact CA-O 3.35Å
223G87.6Confident80Confident20 Ų2095.7 Ų95.721%0.20647%0.471CS..THydrogen-bonded Turntrans83.1-4.8-177.300000115.7S221 C255S221-G223 PolarHBondContact O-N 3.08Å; G223-C255 PolarHBondContact N-O 3.49Å
224S89.1Confident81.9Confident33 Ų3394.9 Ų94.923%0.23147%0.472CS..  trans-75.9145.3174.963.10000111.9G220 S221 R222 V254 C255G220-S224 WeakPolarHBondContact CA-OG 3.32Å; S221-S224 PolarHBondContact N-OG 3.48Å; S221-S224 VanDerWaalsContact O-CB 3.31Å; S221-S224 WeakPolarHBondContact O-CB 3.36Å; S221-S224 PolarHBondContact O-N 2.89Å; S221-S224 PolarHBondContact O-OG 3.05Å; R222-S224 VanDerWaalsContact C-N 3.33Å; R222-S224 PolarHBondContact O-N 3.01Å; S224-V254 CarbonylContact O-C 3.49Å; S224-V254 VanDerWaalsContact O-CA 3.3Å; S224-V254 WeakPolarHBondContact O-CA 3.48Å; S224-C255 PolarHBondContact O-N 2.93Å
225V90Very high83.6Confident96 Ų9689.8 Ų89.858%0.58245%0.454SS*.BIsolated β-bridgetrans-66.1134.2175.6-177.70000110S253V225-S253 CarbonylContact C-O 3.55Å; V225-S253 VanDerWaalsContact CA-O 3.28Å; V225-S253 WeakPolarHBondContact CA-O 3.28Å
226C91.2Very high85.5Confident2 Ų287.7 Ų87.71%0.01444%0.438CS..  trans-133.2164178.560.40000110.6Q231 C232 C238 S253C226-Q231 HydrophobicContact CB-CB 4.14Å; C226-C232 VanDerWaalsContact SG-SG 3.69Å; C226-C238 VanDerWaalsContact C-SG 3.59Å; C226-C238 HydrophobicContact CB-CB 3.99Å; C226-C238 WeakPolarHBondContact CB-SG 3.42Å; C226-C238 WeakPolarHBondContact SG-CA 3.25Å; C226-C238 WeakPolarHBondContact SG-CB 3.41Å; C226-C238 CovalentContact SG-SG 2.03Å; C226-C238 PolarHBondContact SG-SG 3.04Å; C226-S253 PolarHBondContact N-O 3.38Å; C226-S253 WeakPolarHBondContact O-CB 3.38Å; C226-S253 PolarHBondContact O-OG 3.31Å
227K90.2Very high87.1Confident177 Ų17783.5 Ų83.577%0.7741%0.412SS*.SBendtrans-115.6-13.7170.1-60.7-172.7176.9-171.60112.8
228N90.6Very high88.6Confident73 Ų7373.9 Ų73.939%0.3937%0.372SS..SBendtrans-165.4162.8177.555.361.5000110.3R230 Q231 C238N228-R230 PolarHBondContact O-N 2.93Å; N228-R230 WeakPolarHBondContact OD1-CB 3.48Å; N228-R230 PolarHBondContact OD1-N 2.86Å; N228-Q231 PolarHBondContact O-N 3.49Å; N228-Q231 PolarHBondContact OD1-N 2.93Å; N228-C238 PolarHBondContact N-SG 3.49Å
229H90.4Very high89.2Confident72 Ų7267.6 Ų67.633%0.33335%0.345SS..G310 helixtrans-55.8-25.5-179.4-58.3-83.2000114.2Q231 C232 C237 C238 D268 C270H229-Q231 PolarHBondContact O-N 3.34Å; H229-C232 PolarHBondContact O-N 3.44Å; H229-C232 VanDerWaalsContact O-N 3.14Å; H229-C237 WeakPolarHBondContact ND1-CA 3.39Å; H229-C238 PolarHBondContact CE1-N 2.99Å; H229-C238 PolarHBondContact CE1-O 2.9Å; H229-C238 PolarHBondContact ND1-N 2.51Å; H229-D268 IonicContact CD2-OD2 3.86Å; H229-D268 IonicContact CE1-OD2 3.79Å; H229-D268 IonicContact NE2-OD2 3.48Å; H229-D268 PolarHBondContact NE2-OD2 3.21Å; H229-C270 VanDerWaalsContact CE1-SG 3.52Å; H229-C270 PolarHBondContact ND1-SG 3.03Å; H229-C270 VanDerWaalsContact ND1-SG 3.4Å
230R90.7Very high89.3Confident218 Ų21869.3 Ų69.382%0.82336%0.36SS*.G310 helixtrans-72.6-16.2-179.8-57-177.2177.9-1771.5113.4Y219 N228 C232Y219-R230 WeakPolarHBondContact CD1-O 3.47Å; Y219-R230 VanDerWaalsContact CE1-O 3.26Å; Y219-R230 WeakPolarHBondContact CE1-O 3.33Å; N228-R230 PolarHBondContact O-N 2.93Å; N228-R230 WeakPolarHBondContact OD1-CB 3.48Å; N228-R230 PolarHBondContact OD1-N 2.86Å; R230-C232 VanDerWaalsContact C-N 3.33Å
231Q90.8Very high88.6Confident73 Ų7371.7 Ų71.734%0.34139%0.385SS..G310 helixtrans-84.5-13.6174.3-66.6179.6200111.8Y219 G220 C226 N228 H229Y219-Q231 CarbonylContact C-O 3.54Å; Y219-Q231 WeakPolarHBondContact CA-O 3.33Å; G220-Q231 PolarHBondContact N-O 3.04Å; C226-Q231 HydrophobicContact CB-CB 4.14Å; N228-Q231 PolarHBondContact O-N 3.49Å; N228-Q231 PolarHBondContact OD1-N 2.93Å; H229-Q231 PolarHBondContact O-N 3.34Å
232C90.8Very high87.3Confident4 Ų470.1 Ų70.13%0.02737%0.372CS..BIsolated β-bridgetrans-91.4150.4177.8-57.90000111.4Y219 C226 H229 R230 L236 C255Y219-C232 VanDerWaalsContact CD1-O 3.22Å; Y219-C232 WeakPolarHBondContact CD1-O 2.95Å; C226-C232 VanDerWaalsContact SG-SG 3.69Å; H229-C232 PolarHBondContact O-N 3.44Å; H229-C232 VanDerWaalsContact O-N 3.14Å; R230-C232 VanDerWaalsContact C-N 3.33Å; C232-L236 HydrophobicContact CB-CB 3.7Å; C232-C255 WeakPolarHBondContact CA-SG 3.5Å; C232-C255 HydrophobicContact CB-CB 3.77Å; C232-C255 WeakPolarHBondContact CB-SG 3.34Å; C232-C255 VanDerWaalsContact SG-CA 3.52Å; C232-C255 WeakPolarHBondContact SG-CB 3.14Å; C232-C255 CovalentContact SG-SG 2.04Å; C232-C255 PolarHBondContact SG-SG 2.93Å
233K90.4Very high85.9Confident112 Ų11269.3 Ų69.349%0.48738%0.384SS..PPolyproline II helixtrans-59.7145.3174.5-168177.1178-173.30109.7G220 G235 L236G220-K233 PolarHBondContact O-N 3.3Å; K233-G235 PolarHBondContact O-N 3.4Å; K233-L236 HydrophobicContact CB-CD1 3.88Å; K233-L236 HydrophobicContact CB-CG 4.42Å; K233-L236 VanDerWaalsContact O-CB 3.31Å; K233-L236 WeakPolarHBondContact O-CB 3.42Å; K233-L236 PolarHBondContact O-N 3.08Å
234P86.6Confident84.4Confident108 Ų10870.8 Ų70.870%0.70139%0.387SS*.THydrogen-bonded Turntrans-50.2129.9175.4-28.434.9000111.8
235G87.3Confident83Confident34 Ų3477 Ų7735%0.35142%0.418SS..THydrogen-bonded Turntrans94.11.7-171.500000115K233K233-G235 PolarHBondContact O-N 3.4Å
236L90.5Very high81.5Confident18 Ų1878 Ų789%0.09442%0.42CS..  trans-116.2141.6173.9-59.1178.4000110.7R222 C232 K233 C255 V256 Q257R222-L236 HydrophobicContact CB-CD2 4.41Å; C232-L236 HydrophobicContact CB-CB 3.7Å; K233-L236 HydrophobicContact CB-CD1 3.88Å; K233-L236 HydrophobicContact CB-CG 4.42Å; K233-L236 VanDerWaalsContact O-CB 3.31Å; K233-L236 WeakPolarHBondContact O-CB 3.42Å; K233-L236 PolarHBondContact O-N 3.08Å; L236-C255 HydrophobicContact CB-CB 4.31Å; L236-C255 HydrophobicContact CD1-CB 4.06Å; L236-V256 CarbonylContact C-O 3.56Å; L236-V256 VanDerWaalsContact CA-O 3.26Å; L236-V256 WeakPolarHBondContact CA-O 3.48Å; L236-Q257 HydrophobicContact CD2-CB 3.42Å; L236-Q257 VanDerWaalsContact CD2-CB 3.42Å; L236-Q257 HydrophobicContact CD2-CG 4.01Å
237C91.8Very high79.9Confident0 Ų081.6 Ų81.60%044%0.435CS..EExtended strand (participates in β ladder)trans-98.3148.8171.5-64.70000111H229 H239 C255 V256 C270 Q271H229-C237 WeakPolarHBondContact ND1-CA 3.39Å; C237-H239 VanDerWaalsContact CB-CD2 3.45Å; C237-H239 WeakPolarHBondContact CB-CD2 3.46Å; C237-H239 WeakPolarHBondContact CB-NE2 3.14Å; C237-C255 CarbonylContact O-C 3.57Å; C237-C255 VanDerWaalsContact O-CA 3.25Å; C237-C255 WeakPolarHBondContact O-CA 3.47Å; C237-V256 PolarHBondContact N-O 3.49Å; C237-V256 PolarHBondContact O-N 2.98Å; C237-C270 HydrophobicContact CB-CB 4.19Å; C237-C270 WeakPolarHBondContact CB-SG 3.09Å; C237-C270 WeakPolarHBondContact SG-CB 3.24Å; C237-C270 PolarHBondContact SG-O 2.86Å; C237-C270 CovalentContact SG-SG 2.03Å; C237-C270 PolarHBondContact SG-SG 3.11Å; C237-Q271 VanDerWaalsContact SG-CG 3.58Å; C237-Q271 PolarHBondContact SG-N 3.38Å; C237-Q271 VanDerWaalsContact SG-N 3.39Å
238C92.2Very high78.3Confident11 Ų1178.9 Ų78.97%0.07444%0.436CS..EExtended strand (participates in β ladder)trans-95.3115.6168.4-171.50000108.4C226 N228 H229 S253C226-C238 VanDerWaalsContact C-SG 3.59Å; C226-C238 HydrophobicContact CB-CB 3.99Å; C226-C238 WeakPolarHBondContact CB-SG 3.42Å; C226-C238 WeakPolarHBondContact SG-CA 3.25Å; C226-C238 WeakPolarHBondContact SG-CB 3.41Å; C226-C238 CovalentContact SG-SG 2.03Å; C226-C238 PolarHBondContact SG-SG 3.04Å; N228-C238 PolarHBondContact N-SG 3.49Å; H229-C238 PolarHBondContact CE1-N 2.99Å; H229-C238 PolarHBondContact CE1-O 2.9Å; H229-C238 PolarHBondContact ND1-N 2.51Å; C238-S253 WeakPolarHBondContact SG-CB 3.48Å
239H89.1Confident76.4Confident43 Ų4380.4 Ų80.420%0.19945%0.453CS..EExtended strand (participates in β ladder)trans-124.7136.7179.1-79.2-69.4000110.8C237 V242 S253 V254 H258 Q271C237-H239 VanDerWaalsContact CB-CD2 3.45Å; C237-H239 WeakPolarHBondContact CB-CD2 3.46Å; C237-H239 WeakPolarHBondContact CB-NE2 3.14Å; H239-V242 HydrophobicContact CB-CG2 3.73Å; H239-S253 CarbonylContact O-C 3.42Å; H239-S253 WeakPolarHBondContact O-CA 3.34Å; H239-V254 PolarHBondContact N-O 3.25Å; H239-V254 VanDerWaalsContact N-O 3.08Å; H239-V254 PolarHBondContact O-N 3.1Å; H239-H258 AromaticContact CD2-NE2 3.34Å; H239-H258 PolarHBondContact CD2-NE2 3.27Å; H239-H258 VanDerWaalsContact CD2-NE2 3.34Å; H239-H258 AromaticContact NE2-NE2 3.51Å; H239-Q271 PolarHBondContact CE1-NE2 3.45Å; H239-Q271 PolarHBondContact NE2-NE2 3.04Å
240D85.3Confident74.7Confident128 Ų12879 Ų7968%0.68445%0.45SS*.SBendtrans-79.5142169.7-65.1-41.7000109.9V242 S253D240-V242 PolarHBondContact O-N 2.71Å; D240-S253 WeakPolarHBondContact OD1-CA 3.47Å; D240-S253 WeakPolarHBondContact OD1-CB 3.41Å; D240-S253 PolarHBondContact OD1-OG 3.43Å
241G68.7Low73.6Confident70 Ų7077.1 Ų77.172%0.72246%0.457SS*.SBendtrans67.132.6166.800000115.6P243G241-P243 WeakPolarHBondContact O-CD 3.01Å
242V60.8Low73Confident45 Ų4575.1 Ų75.127%0.27346%0.456SS..  trans-63.8122.7174.4-178.20000108.3H239 D240 L244 V254 V256H239-V242 HydrophobicContact CB-CG2 3.73Å; D240-V242 PolarHBondContact O-N 2.71Å; V242-L244 WeakPolarHBondContact O-CD1 3.46Å; V242-L244 WeakPolarHBondContact O-CG 3.07Å; V242-L244 PolarHBondContact O-N 3.08Å; V242-V254 HydrophobicContact CB-CG2 4.2Å; V242-V254 HydrophobicContact CG2-CG2 3.93Å; V242-V256 HydrophobicContact CB-CG2 4.48Å; V242-V256 HydrophobicContact CG1-CG2 4.26Å; V242-V256 HydrophobicContact CG2-CG2 3.66Å
243P58.9Low72.9Confident118 Ų11875.7 Ų75.777%0.76646%0.46SS*.  trans-59.2111.517617.5-24000108.7G241 D245G241-P243 WeakPolarHBondContact O-CD 3.01Å; P243-D245 PolarHBondContact O-N 3.39Å
244L56.4Low72.9Confident52 Ų5270.6 Ų70.627%0.27244%0.438SS..  trans-87.877.4-167.2-86.1123.5000110.2V242 D246 F247V242-L244 WeakPolarHBondContact O-CD1 3.46Å; V242-L244 WeakPolarHBondContact O-CG 3.07Å; V242-L244 PolarHBondContact O-N 3.08Å; L244-D246 VanDerWaalsContact C-N 3.32Å; L244-F247 WeakPolarHBondContact CB-O 3.45Å; L244-F247 HydrophobicContact CD2-CB 3.45Å; L244-F247 VanDerWaalsContact CD2-CB 3.45Å; L244-F247 WeakPolarHBondContact CD2-O 3.45Å
245D59.4Low73.2Confident164 Ų16465.5 Ų65.588%0.87741%0.405SS*.SBendtrans-79.7-20.6159.8-77.9-36.1000111.4P243P243-D245 PolarHBondContact O-N 3.39Å
246D59.3Low73.3Confident117 Ų11765.1 Ų65.163%0.62640%0.396SS*.SBendtrans-110.2-8-171.1-85.3-15.2000115.7R222 L244R222-D246 IonicContact NH2-OD2 2.72Å; L244-D246 VanDerWaalsContact C-N 3.32Å
247F56.6Low73.4Confident76 Ų7669.3 Ų69.333%0.33342%0.415SS..SBendtrans-138.6150.3179.2-53.9-89.2000111.7R222 L244 S249R222-F247 HydrophobicContact CG-CZ 4.03Å; L244-F247 WeakPolarHBondContact CB-O 3.45Å; L244-F247 HydrophobicContact CD2-CB 3.45Å; L244-F247 VanDerWaalsContact CD2-CB 3.45Å; L244-F247 WeakPolarHBondContact CD2-O 3.45Å; F247-S249 PolarHBondContact O-N 3.46Å
248P57.5Low73.3Confident120 Ų12071.9 Ų71.978%0.77943%0.427SS*.  trans-66.2123.4176.224.6-31.7000109.6S250P248-S250 PolarHBondContact O-N 3Å
249S51Low73.1Confident106 Ų10674.9 Ų74.974%0.74145%0.448SS*.  trans-32.899.1177.3-830000112.9F247F247-S249 PolarHBondContact O-N 3.46Å
250S55.1Low73.2Confident41 Ų4174.5 Ų74.529%0.28745%0.447SS..  trans-108.1121.1163.567.20000106.5P248 G252P248-S250 PolarHBondContact O-N 3Å; S250-G252 PolarHBondContact O-N 3.41Å
251N68Low73.6Confident179 Ų17974.9 Ų74.996%0.95744%0.443SS*.SBendtrans-68.271.6175.4-68.9-15.4000109.5
252G77Confident74.6Confident31 Ų3179.2 Ų79.232%0.3244%0.444SS..SBendtrans-175.4165.4-175.700000112.9S250S250-G252 PolarHBondContact O-N 3.41Å
253S88.9Confident76Confident16 Ų1679.7 Ų79.711%0.11246%0.459CS..  trans-63.9140.4175.6-9.70000110.7V225 C226 C238 H239 D240V225-S253 CarbonylContact C-O 3.55Å; V225-S253 VanDerWaalsContact CA-O 3.28Å; V225-S253 WeakPolarHBondContact CA-O 3.28Å; C226-S253 PolarHBondContact N-O 3.38Å; C226-S253 WeakPolarHBondContact O-CB 3.38Å; C226-S253 PolarHBondContact O-OG 3.31Å; C238-S253 WeakPolarHBondContact SG-CB 3.48Å; H239-S253 CarbonylContact O-C 3.42Å; H239-S253 WeakPolarHBondContact O-CA 3.34Å; D240-S253 WeakPolarHBondContact OD1-CA 3.47Å; D240-S253 WeakPolarHBondContact OD1-CB 3.41Å; D240-S253 PolarHBondContact OD1-OG 3.43Å
254V90.6Very high77.5Confident5 Ų578.3 Ų78.33%0.0344%0.442CS..EExtended strand (participates in β ladder)trans-125.6153175.9-660000112S224 H239 V242 V256S224-V254 CarbonylContact O-C 3.49Å; S224-V254 VanDerWaalsContact O-CA 3.3Å; S224-V254 WeakPolarHBondContact O-CA 3.48Å; H239-V254 PolarHBondContact N-O 3.25Å; H239-V254 VanDerWaalsContact N-O 3.08Å; H239-V254 PolarHBondContact O-N 3.1Å; V242-V254 HydrophobicContact CB-CG2 4.2Å; V242-V254 HydrophobicContact CG2-CG2 3.93Å; V254-V256 HydrophobicContact CG2-CG2 4.04Å; V254-V256 PolarHBondContact O-N 2.71Å
255C92.2Very high79Confident1 Ų179.7 Ų79.71%0.00746%0.456CS..EExtended strand (participates in β ladder)trans-77.2115.4174.6-64.10000110.8S221 R222 G223 S224 C232 L236 C237S221-C255 WeakPolarHBondContact O-CB 3.27Å; R222-C255 CarbonylContact C-O 3.55Å; R222-C255 WeakPolarHBondContact CA-O 3.35Å; G223-C255 PolarHBondContact N-O 3.49Å; S224-C255 PolarHBondContact O-N 2.93Å; C232-C255 WeakPolarHBondContact CA-SG 3.5Å; C232-C255 HydrophobicContact CB-CB 3.77Å; C232-C255 WeakPolarHBondContact CB-SG 3.34Å; C232-C255 VanDerWaalsContact SG-CA 3.52Å; C232-C255 WeakPolarHBondContact SG-CB 3.14Å; C232-C255 CovalentContact SG-SG 2.04Å; C232-C255 PolarHBondContact SG-SG 2.93Å; L236-C255 HydrophobicContact CB-CB 4.31Å; L236-C255 HydrophobicContact CD1-CB 4.06Å; C237-C255 CarbonylContact O-C 3.57Å; C237-C255 VanDerWaalsContact O-CA 3.25Å; C237-C255 WeakPolarHBondContact O-CA 3.47Å
256V90.9Very high80.5Confident27 Ų2772.1 Ų72.116%0.16442%0.416CS..EExtended strand (participates in β ladder)trans-115143.3179.8-175.10000110.3L236 C237 V242 V254L236-V256 CarbonylContact C-O 3.56Å; L236-V256 VanDerWaalsContact CA-O 3.26Å; L236-V256 WeakPolarHBondContact CA-O 3.48Å; C237-V256 PolarHBondContact N-O 3.49Å; C237-V256 PolarHBondContact O-N 2.98Å; V242-V256 HydrophobicContact CB-CG2 4.48Å; V242-V256 HydrophobicContact CG1-CG2 4.26Å; V242-V256 HydrophobicContact CG2-CG2 3.66Å; V254-V256 HydrophobicContact CG2-CG2 4.04Å; V254-V256 PolarHBondContact O-N 2.71Å
257Q91.3Very high81.8Confident106 Ų10672.8 Ų72.850%0.49542%0.419SS..  trans-92.6122.7171-168.3169.3-6.700109L236L236-Q257 HydrophobicContact CD2-CB 3.42Å; L236-Q257 VanDerWaalsContact CD2-CB 3.42Å; L236-Q257 HydrophobicContact CD2-CG 4.01Å
258H89.3Confident83.2Confident54 Ų5472.2 Ų72.225%0.2542%0.419CS..  trans-106.7162.8164.2-62.8-89.9000108.6H239 Q271H239-H258 AromaticContact CD2-NE2 3.34Å; H239-H258 PolarHBondContact CD2-NE2 3.27Å; H239-H258 VanDerWaalsContact CD2-NE2 3.34Å; H239-H258 AromaticContact NE2-NE2 3.51Å; H258-Q271 CarbonylContact C-O 3.53Å; H258-Q271 HydrophobicContact CB-CB 3.92Å; H258-Q271 HydrophobicContact CB-CG 4.37Å; H258-Q271 WeakPolarHBondContact CB-O 3.4Å
259S89.8Confident84.7Confident74 Ų7468.7 Ų68.752%0.51740%0.397SS..  trans-15154.8176.2-61.80000108.1K261S259-K261 PolarHBondContact O-N 3.03Å
260L91.3Very high86.5Confident34 Ų3465.2 Ų65.218%0.17837%0.373CS..BIsolated β-bridgetrans-68130.6179.6-62.3175.5000109.8Q264 S265 C266 Q271 E273 C294L260-Q264 HydrophobicContact CB-CB 4.2Å; L260-Q264 HydrophobicContact CD2-CB 4.26Å; L260-S265 VanDerWaalsContact CD1-O 3.24Å; L260-S265 WeakPolarHBondContact CD1-O 3.26Å; L260-C266 HydrophobicContact CD1-CB 3.67Å; L260-Q271 WeakPolarHBondContact CB-O 3.4Å; L260-Q271 HydrophobicContact CD1-CB 3.55Å; L260-Q271 HydrophobicContact CG-CB 4.24Å; L260-Q271 WeakPolarHBondContact CG-O 3.33Å; L260-Q271 PolarHBondContact N-O 3Å; L260-E273 PolarHBondContact O-N 3.24Å; L260-C294 VanDerWaalsContact CB-SG 3.51Å
261K92.4Very high88.2Confident137 Ų13764 Ų6460%0.59636%0.362SS*.PPolyproline II helixtrans-83.6163.4178.6-62.9-177.2179.6-1790110.8S259 G263 Q264 C294S259-K261 PolarHBondContact O-N 3.03Å; K261-G263 PolarHBondContact O-N 3.1Å; K261-Q264 HydrophobicContact CB-CG 4.41Å; K261-Q264 VanDerWaalsContact O-CB 3.32Å; K261-Q264 WeakPolarHBondContact O-CB 3.13Å; K261-Q264 PolarHBondContact O-N 3.32Å; K261-C294 WeakPolarHBondContact O-CB 3.32Å
262E91.1Very high89.3Confident160 Ų16056 Ų5675%0.74832%0.32SS*.THydrogen-bonded Turntrans-52.2132.4172.1-172171.3-167.600110.6L276E262-L276 HydrophobicContact CB-CD1 4.21Å; E262-L276 HydrophobicContact CB-CD2 4.35Å
263G88.6Confident89.9Confident56 Ų5659.6 Ų59.658%0.57733%0.329SS*.THydrogen-bonded Turntrans87.8-8.6-174.600000115.6K261 C294K261-G263 PolarHBondContact O-N 3.1Å; G263-C294 WeakPolarHBondContact CA-OXT 3.22Å; G263-C294 PolarHBondContact N-OXT 3.43Å
264Q90.2Very high89.8Confident88 Ų8866.6 Ų66.641%0.41136%0.364SS..SBendtrans-84.3145.2177.9-65.3-169.2-4100111.9L260 K261 V293 C294L260-Q264 HydrophobicContact CB-CB 4.2Å; L260-Q264 HydrophobicContact CD2-CB 4.26Å; K261-Q264 HydrophobicContact CB-CG 4.41Å; K261-Q264 VanDerWaalsContact O-CB 3.32Å; K261-Q264 WeakPolarHBondContact O-CB 3.13Å; K261-Q264 PolarHBondContact O-N 3.32Å; Q264-V293 CarbonylContact O-C 3.47Å; Q264-V293 VanDerWaalsContact O-CA 3.26Å; Q264-V293 WeakPolarHBondContact O-CA 3.31Å; Q264-C294 PolarHBondContact O-N 2.99Å
265S89.1Confident89.6Confident81 Ų8169.9 Ų69.957%0.56640%0.399SS*.EExtended strand (participates in β ladder)trans-69.9134.4178.855.30000112.1L260 Q292L260-S265 VanDerWaalsContact CD1-O 3.24Å; L260-S265 WeakPolarHBondContact CD1-O 3.26Å; S265-Q292 CarbonylContact C-O 3.57Å; S265-Q292 WeakPolarHBondContact CA-O 3.4Å
266C89.6Confident89.5Confident6 Ų672 Ų724%0.04141%0.411CS..EExtended strand (participates in β ladder)trans-131.8158.2-178.8550000110.9L260 C278 Q292 C294L260-C266 HydrophobicContact CD1-CB 3.67Å; C266-C278 VanDerWaalsContact C-SG 3.56Å; C266-C278 HydrophobicContact CB-CB 3.95Å; C266-C278 WeakPolarHBondContact CB-SG 3.13Å; C266-C278 WeakPolarHBondContact SG-CA 3.32Å; C266-C278 WeakPolarHBondContact SG-CB 3.46Å; C266-C278 CovalentContact SG-SG 2.02Å; C266-C278 PolarHBondContact SG-SG 2.91Å; C266-Q292 PolarHBondContact N-O 3.45Å; C266-Q292 WeakPolarHBondContact O-CB 3.47Å; C266-C294 VanDerWaalsContact CB-SG 3.56Å; C266-C294 PolarHBondContact SG-N 3.39Å
267L86.6Confident89.5Confident131 Ų13175 Ų7569%0.68643%0.425SS*.SBendtrans-105.4-33172.3-67.1173.7000111.6
268D86.2Confident89.4Confident64 Ų6470.7 Ų70.734%0.34241%0.407SS..SBendtrans-143151.2178.8-162.3-10.4000109.9H229 C270 Q271H229-D268 IonicContact CD2-OD2 3.86Å; H229-D268 IonicContact CE1-OD2 3.79Å; H229-D268 IonicContact NE2-OD2 3.48Å; H229-D268 PolarHBondContact NE2-OD2 3.21Å; D268-C270 PolarHBondContact O-N 2.91Å; D268-C270 VanDerWaalsContact O-N 3.12Å; D268-Q271 WeakPolarHBondContact O-CB 3.48Å; D268-Q271 PolarHBondContact O-N 3.12Å
269S89Confident89.4Confident46 Ų4674.2 Ų74.232%0.32242%0.422SS..G310 helixtrans-62.6-19.6-179.2-63.40000113.1Q271 C272 C278S269-Q271 PolarHBondContact O-N 3.47Å; S269-C272 PolarHBondContact O-N 2.85Å; S269-C278 PolarHBondContact OG-N 3.44Å
270C89.5Confident89.1Confident33 Ų3380.3 Ų80.322%0.22343%0.433CS..G310 helixtrans-65.9-18.7173.772.40000112.6H229 C237 D268H229-C270 VanDerWaalsContact CE1-SG 3.52Å; H229-C270 PolarHBondContact ND1-SG 3.03Å; H229-C270 VanDerWaalsContact ND1-SG 3.4Å; C237-C270 HydrophobicContact CB-CB 4.19Å; C237-C270 WeakPolarHBondContact CB-SG 3.09Å; C237-C270 WeakPolarHBondContact SG-CB 3.24Å; C237-C270 PolarHBondContact SG-O 2.86Å; C237-C270 CovalentContact SG-SG 2.03Å; C237-C270 PolarHBondContact SG-SG 3.11Å; D268-C270 PolarHBondContact O-N 2.91Å; D268-C270 VanDerWaalsContact O-N 3.12Å
271Q91Very high87.9Confident15 Ų1579.6 Ų79.67%0.0744%0.435CS..G310 helixtrans-81.2-23.2-177-61.5-178.5-31.900112.7C237 H239 H258 L260 D268 S269C237-Q271 VanDerWaalsContact SG-CG 3.58Å; C237-Q271 PolarHBondContact SG-N 3.38Å; C237-Q271 VanDerWaalsContact SG-N 3.39Å; H239-Q271 PolarHBondContact CE1-NE2 3.45Å; H239-Q271 PolarHBondContact NE2-NE2 3.04Å; H258-Q271 CarbonylContact C-O 3.53Å; H258-Q271 HydrophobicContact CB-CB 3.92Å; H258-Q271 HydrophobicContact CB-CG 4.37Å; H258-Q271 WeakPolarHBondContact CB-O 3.4Å; L260-Q271 WeakPolarHBondContact CB-O 3.4Å; L260-Q271 HydrophobicContact CD1-CB 3.55Å; L260-Q271 HydrophobicContact CG-CB 4.24Å; L260-Q271 WeakPolarHBondContact CG-O 3.33Å; L260-Q271 PolarHBondContact N-O 3Å; D268-Q271 WeakPolarHBondContact O-CB 3.48Å; D268-Q271 PolarHBondContact O-N 3.12Å; S269-Q271 PolarHBondContact O-N 3.47Å
272C91.2Very high86.2Confident11 Ų1184.8 Ų84.87%0.07445%0.45CS..BIsolated β-bridgetrans-76.7156.1-178.5-52.30000112.5S269 L276 C294S269-C272 PolarHBondContact O-N 2.85Å; C272-L276 HydrophobicContact CB-CB 3.68Å; C272-C294 WeakPolarHBondContact CA-SG 3.36Å; C272-C294 HydrophobicContact CB-CB 3.74Å; C272-C294 WeakPolarHBondContact CB-SG 3.45Å; C272-C294 WeakPolarHBondContact SG-CB 3.3Å; C272-C294 CovalentContact SG-SG 2.04Å; C272-C294 PolarHBondContact SG-SG 3.34Å
273E90.1Very high84.2Confident107 Ų10780 Ų8050%0.543%0.434SS..  trans-58.6151.5172.1-168.2171.4-176.400111.6L260 G275 L276L260-E273 PolarHBondContact O-N 3.24Å; E273-G275 PolarHBondContact O-N 3.35Å; E273-L276 HydrophobicContact CB-CD1 4.05Å; E273-L276 WeakPolarHBondContact O-CB 3.42Å; E273-L276 PolarHBondContact O-N 3.42Å
274L85.7Confident82.2Confident162 Ų16283.3 Ų83.385%0.84844%0.444SS*.THydrogen-bonded Turntrans-55.7112.8-177.3-71173.3000111.4
275G87.5Confident80.2Confident75 Ų7585 Ų8577%0.77346%0.46SS*.THydrogen-bonded Turntrans112.4-13.5179.800000113.8E273E273-G275 PolarHBondContact O-N 3.35Å
276L90.2Very high78Confident46 Ų4689.1 Ų89.124%0.24147%0.47CS..  trans-90.1156.4171-60.1178.6000110.5E262 C272 E273 C294E262-L276 HydrophobicContact CB-CD1 4.21Å; E262-L276 HydrophobicContact CB-CD2 4.35Å; C272-L276 HydrophobicContact CB-CB 3.68Å; E273-L276 HydrophobicContact CB-CD1 4.05Å; E273-L276 WeakPolarHBondContact O-CB 3.42Å; E273-L276 PolarHBondContact O-N 3.42Å; L276-C294 HydrophobicContact CD1-CB 4.2Å
277N90.2Very high75.8Confident89 Ų8997.5 Ų97.548%0.47651%0.51SS..  trans-126.8145.9171.1-60.2-62.1000108.2F279N277-F279 HydrophobicContact CB-CD2 4.31Å; N277-F279 HydrophobicContact CB-CE1 4.3Å; N277-F279 HydrophobicContact CB-CE2 3.7Å; N277-F279 HydrophobicContact CB-CZ 3.7Å; N277-F279 WeakPolarHBondContact O-CD2 3.41Å; N277-F279 WeakPolarHBondContact O-CE2 3.31Å; N277-F279 PolarHBondContact O-N 2.99Å
278C89.4Confident74.3Confident15 Ų1597.7 Ų97.710%0.10151%0.512CS..  trans-78.1111.6174.4-170.10000108.5C266 S269 Q292C266-C278 VanDerWaalsContact C-SG 3.56Å; C266-C278 HydrophobicContact CB-CB 3.95Å; C266-C278 WeakPolarHBondContact CB-SG 3.13Å; C266-C278 WeakPolarHBondContact SG-CA 3.32Å; C266-C278 WeakPolarHBondContact SG-CB 3.46Å; C266-C278 CovalentContact SG-SG 2.02Å; C266-C278 PolarHBondContact SG-SG 2.91Å; S269-C278 PolarHBondContact OG-N 3.44Å; C278-Q292 VanDerWaalsContact SG-CB 3.52Å
279F88.3Confident73.1Confident128 Ų128100.2 Ų100.256%0.56153%0.532SS*.BIsolated β-bridgetrans-103.5134.6177.3-63.8-77.8000109.5N277 G281 Q292 V293N277-F279 HydrophobicContact CB-CD2 4.31Å; N277-F279 HydrophobicContact CB-CE1 4.3Å; N277-F279 HydrophobicContact CB-CE2 3.7Å; N277-F279 HydrophobicContact CB-CZ 3.7Å; N277-F279 WeakPolarHBondContact O-CD2 3.41Å; N277-F279 WeakPolarHBondContact O-CE2 3.31Å; N277-F279 PolarHBondContact O-N 2.99Å; F279-G281 PolarHBondContact O-N 2.72Å; F279-G281 VanDerWaalsContact O-N 3.09Å; F279-Q292 WeakPolarHBondContact O-CA 3.45Å; F279-Q292 WeakPolarHBondContact O-CB 3.48Å; F279-V293 PolarHBondContact N-O 3.45Å; F279-V293 PolarHBondContact O-N 3.49Å
280R83.4Confident71.6Confident202 Ų202101.7 Ų101.776%0.76254%0.536SS*.PPolyproline II helixtrans-59.1117.5166.5-76.2-176.9179.2-179.9-1.5107.8R282 Q292R280-R282 PolarHBondContact O-N 3.2Å; R280-Q292 HydrophobicContact CG-CG 4.02Å
281G66.5Low70.6Confident20 Ų20103.7 Ų103.721%0.20655%0.549CS..PPolyproline II helixtrans-52128.3173.800000108.9F279 S283F279-G281 PolarHBondContact O-N 2.72Å; F279-G281 VanDerWaalsContact O-N 3.09Å; G281-S283 PolarHBondContact O-N 3.33Å
282R56.1Low70.1Confident246 Ų246105.4 Ų105.493%0.92856%0.557SS**  trans-8668.5162.2-74.5-174.8178.4-170.9-0.9106.4R280 T284R280-R282 PolarHBondContact O-N 3.2Å; R282-T284 PolarHBondContact O-N 3.38Å; R282-T284 VanDerWaalsContact O-N 3.12Å
283S50.3Low69.9Low59 Ų59107.2 Ų107.241%0.41357%0.567SS.*  trans-75.5103.2169.4-14.80000106.8G281 V285 D290G281-S283 PolarHBondContact O-N 3.33Å; S283-V285 PolarHBondContact O-N 3.2Å; S283-D290 WeakPolarHBondContact CB-OD1 3.48Å; S283-D290 VanDerWaalsContact OG-CG 3.26Å; S283-D290 PolarHBondContact OG-OD1 3.1Å
284T46.6Very low69.6Low126 Ų126102.8 Ų102.877%0.77355%0.548SS*.  trans-63122.7155.648.10000107.3R282R282-T284 PolarHBondContact O-N 3.38Å; R282-T284 VanDerWaalsContact O-N 3.12Å
285V47.1Very low68.8Low124 Ų12499.8 Ų99.875%0.75253%0.533SS*.SBendtrans91.6118.7167.1-163.90000115.9S283S283-V285 PolarHBondContact O-N 3.2Å
286H44Very low67.8Low167 Ų167101.1 Ų101.177%0.77352%0.521SS*.  trans84.595.5160.5-103.8-67.3000120.8D288H286-D288 PolarHBondContact O-N 2.91Å; H286-D288 VanDerWaalsContact O-N 3.08Å
287M43.3Very low66.6Low181 Ų181104.2 Ų104.289%0.89254%0.536SS*.SBendtrans25.165136.4-60.5-67.7140.900119
288D55.5Low65.2Low135 Ų135105.1 Ų105.172%0.72254%0.54SS*.SBendtrans-153.5154.1146.8-117.5-39.5000106.6H286 D290H286-D288 PolarHBondContact O-N 2.91Å; H286-D288 VanDerWaalsContact O-N 3.08Å; D288-D290 PolarHBondContact O-N 3.01Å
289P60Low63.7Low118 Ų118110.7 Ų110.777%0.76657%0.567SS**  trans-62.6107-178.925.3-27.8000108.4
290D56.8Low62Low76 Ų76109.5 Ų109.541%0.40657%0.567SS.*  trans-41.5121-170.5-82.4-38.6000111.9S283 D288 Q292S283-D290 WeakPolarHBondContact CB-OD1 3.48Å; S283-D290 VanDerWaalsContact OG-CG 3.26Å; S283-D290 PolarHBondContact OG-OD1 3.1Å; D288-D290 PolarHBondContact O-N 3.01Å; D290-Q292 PolarHBondContact O-N 3.35Å; D290-Q292 VanDerWaalsContact O-N 3.08Å
291P69.3Low60.5Low76 Ų76102.9 Ų102.949%0.49455%0.553SS.*  trans-62.5118.9174.724.9-30.6000107.6
292Q80.3Confident60.1Low51 Ų51109.3 Ų109.324%0.23858%0.58CS.*EExtended strand (participates in β ladder)trans-69141.8167.6-36.1-177.618.400106.8S265 C266 C278 F279 R280 D290S265-Q292 CarbonylContact C-O 3.57Å; S265-Q292 WeakPolarHBondContact CA-O 3.4Å; C266-Q292 PolarHBondContact N-O 3.45Å; C266-Q292 WeakPolarHBondContact O-CB 3.47Å; C278-Q292 VanDerWaalsContact SG-CB 3.52Å; F279-Q292 WeakPolarHBondContact O-CA 3.45Å; F279-Q292 WeakPolarHBondContact O-CB 3.48Å; R280-Q292 HydrophobicContact CG-CG 4.02Å; D290-Q292 PolarHBondContact O-N 3.35Å; D290-Q292 VanDerWaalsContact O-N 3.08Å
293V86.5Confident60.4Low48 Ų4897.9 Ų97.929%0.29155%0.551SS.*EExtended strand (participates in β ladder)trans-124.1144.8-177.8-680000110.6Q264 F279Q264-V293 CarbonylContact O-C 3.47Å; Q264-V293 VanDerWaalsContact O-CA 3.26Å; Q264-V293 WeakPolarHBondContact O-CA 3.31Å; F279-V293 PolarHBondContact N-O 3.45Å; F279-V293 PolarHBondContact O-N 3.49Å
294C84.9Confident61.3Low14 Ų14101.5 Ų101.510%0.09556%0.564CS.*  trans-70.20158.3-55.90000108.7L260 K261 G263 Q264 C266 C272 L276L260-C294 VanDerWaalsContact CB-SG 3.51Å; K261-C294 WeakPolarHBondContact O-CB 3.32Å; G263-C294 WeakPolarHBondContact CA-OXT 3.22Å; G263-C294 PolarHBondContact N-OXT 3.43Å; Q264-C294 PolarHBondContact O-N 2.99Å; C266-C294 VanDerWaalsContact CB-SG 3.56Å; C266-C294 PolarHBondContact SG-N 3.39Å; C272-C294 WeakPolarHBondContact CA-SG 3.36Å; C272-C294 HydrophobicContact CB-CB 3.74Å; C272-C294 WeakPolarHBondContact CB-SG 3.45Å; C272-C294 WeakPolarHBondContact SG-CB 3.3Å; C272-C294 CovalentContact SG-SG 2.04Å; C272-C294 PolarHBondContact SG-SG 3.34Å; L276-C294 HydrophobicContact CD1-CB 4.2Å

Retrieved 294 of 294 residues in 152.9 ms (Link to these results)