A0A087XB27_POEFO Loading...

Protein arginine methyltransferase NDUFAF7

Arginine methyltransferase involved in the assembly or stability of mitochondrial NADH:ubiquinone oxidoreductase complex (complex I). Acts by mediating symmetric dimethylation of 'Arg-118' of NDUFS2 after it assembles into the complex I, stabilizing the early intermediate complex.

AlphaFold DB , UniProt , Accession A0A087XB27, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 461 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
1M31.7Very low49.5Very low140 Ų14071 Ų7169%0.6934%0.342SS*.  0-470-160.516916400112.3K4 V5 V452 A453M1-K4 WeakPolarHBondContact O-CB 3.39Å; M1-K4 PolarHBondContact O-N 3.07Å; M1-V5 PolarHBondContact O-N 2.97Å; M1-V452 HydrophobicContact CE-CG1 3.78Å; M1-V452 HydrophobicContact CG-CG1 4.02Å; M1-A453 HydrophobicContact CE-CB 3.93Å; M1-A453 WeakPolarHBondContact CE-O 3.33Å
2R46.9Very low50.7Low147 Ų14774 Ų7456%0.55535%0.347SS*.Hα-helixtrans-69.7-41.9-173.8-61177.3-175.7179.9-2.2115.8K4 V5 C6R2-K4 PolarHBondContact O-N 3.45Å; R2-V5 PolarHBondContact O-N 2.94Å; R2-C6 PolarHBondContact O-N 3.24Å; R2-C6 VanDerWaalsContact O-N 3.15Å
3M40.5Very low51Low105 Ų10568.8 Ų68.852%0.51732%0.324SS..Hα-helixtrans-55.9-35.1171.2-84.8175.970.800112.8V5 Q7M3-V5 VanDerWaalsContact C-N 3.33Å; M3-V5 PolarHBondContact O-N 3.2Å; M3-Q7 VanDerWaalsContact O-CB 3.32Å; M3-Q7 WeakPolarHBondContact O-CB 3.23Å; M3-Q7 WeakPolarHBondContact O-CG 3.45Å; M3-Q7 PolarHBondContact O-N 2.72Å
4K46.8Very low52.5Low114 Ų11464.9 Ų64.950%0.49631%0.306SS..Hα-helixtrans-67.8-34178.2-64.7-173.5176.8-1760111.8M1 R2 Q8 V452M1-K4 WeakPolarHBondContact O-CB 3.39Å; M1-K4 PolarHBondContact O-N 3.07Å; R2-K4 PolarHBondContact O-N 3.45Å; K4-Q8 WeakPolarHBondContact O-CB 3.21Å; K4-Q8 WeakPolarHBondContact O-CG 3.46Å; K4-Q8 PolarHBondContact O-N 2.86Å; K4-V452 HydrophobicContact CD-CG2 4.33Å
5V53.9Low52.4Low24 Ų2465.8 Ų65.815%0.14532%0.322CS..Hα-helixtrans-69.3-48.4176-179.40000110.6M1 R2 M3 Q7 Q8 L9 F455M1-V5 PolarHBondContact O-N 2.97Å; R2-V5 PolarHBondContact O-N 2.94Å; M3-V5 VanDerWaalsContact C-N 3.33Å; M3-V5 PolarHBondContact O-N 3.2Å; V5-Q7 VanDerWaalsContact C-N 3.32Å; V5-Q7 PolarHBondContact O-N 3.09Å; V5-Q8 PolarHBondContact O-N 3.14Å; V5-Q8 VanDerWaalsContact O-N 3.15Å; V5-L9 HydrophobicContact CG1-CD1 4.21Å; V5-L9 HydrophobicContact CG1-CG 4.47Å; V5-L9 WeakPolarHBondContact O-CG 3.36Å; V5-L9 PolarHBondContact O-N 3.43Å; V5-F455 HydrophobicContact CG1-CZ 4.41Å; V5-F455 HydrophobicContact CG2-CE2 4.01Å; V5-F455 HydrophobicContact CG2-CZ 4.44Å
6C44Very low51.8Low9 Ų971.4 Ų71.46%0.06135%0.347CS..Hα-helixtrans-60-43.3175.8-63.40000111.4R2 Q8 L9 L10 V117 M381R2-C6 PolarHBondContact O-N 3.24Å; R2-C6 VanDerWaalsContact O-N 3.15Å; C6-Q8 VanDerWaalsContact C-N 3.35Å; C6-Q8 PolarHBondContact O-N 3.12Å; C6-L9 PolarHBondContact O-N 3.41Å; C6-L10 WeakPolarHBondContact O-CB 3.21Å; C6-L10 VanDerWaalsContact O-CG 3.29Å; C6-L10 WeakPolarHBondContact O-CG 3.26Å; C6-L10 PolarHBondContact O-N 3.33Å; C6-V117 HydrophobicContact CB-CG1 4.34Å; C6-M381 HydrophobicContact CB-CE 4.09Å
7Q51.8Low51.3Low97 Ų9782.4 Ų82.445%0.45338%0.384SS..Hα-helixtrans-62.2-38.3175-75174.1-11.900112.9M3 V5 S11M3-Q7 VanDerWaalsContact O-CB 3.32Å; M3-Q7 WeakPolarHBondContact O-CB 3.23Å; M3-Q7 WeakPolarHBondContact O-CG 3.45Å; M3-Q7 PolarHBondContact O-N 2.72Å; V5-Q7 VanDerWaalsContact C-N 3.32Å; V5-Q7 PolarHBondContact O-N 3.09Å; Q7-S11 WeakPolarHBondContact O-CB 3.25Å; Q7-S11 PolarHBondContact O-N 3.19Å
8Q56.4Low50.4Low59 Ų5981.4 Ų81.428%0.27640%0.4SS..Hα-helixtrans-67.2-42.8174.2-78.6172.9-10.600112.1K4 V5 C6 S11 R12K4-Q8 WeakPolarHBondContact O-CB 3.21Å; K4-Q8 WeakPolarHBondContact O-CG 3.46Å; K4-Q8 PolarHBondContact O-N 2.86Å; V5-Q8 PolarHBondContact O-N 3.14Å; V5-Q8 VanDerWaalsContact O-N 3.15Å; C6-Q8 VanDerWaalsContact C-N 3.35Å; C6-Q8 PolarHBondContact O-N 3.12Å; Q8-S11 PolarHBondContact O-N 3.26Å; Q8-S11 PolarHBondContact O-OG 3.39Å; Q8-R12 PolarHBondContact O-N 3.31Å
9L54.5Low49.9Very low7 Ų778.5 Ų78.54%0.03739%0.39CS..Hα-helixtrans-62.5-44.1174.9-71.3174.4000111.3V5 C6 S11 R12 A13 V117 V120 M124 L155 V158V5-L9 HydrophobicContact CG1-CD1 4.21Å; V5-L9 HydrophobicContact CG1-CG 4.47Å; V5-L9 WeakPolarHBondContact O-CG 3.36Å; V5-L9 PolarHBondContact O-N 3.43Å; C6-L9 PolarHBondContact O-N 3.41Å; L9-S11 VanDerWaalsContact C-N 3.34Å; L9-S11 PolarHBondContact O-N 3.21Å; L9-R12 PolarHBondContact O-N 3.48Å; L9-A13 WeakPolarHBondContact O-CB 3.41Å; L9-A13 PolarHBondContact O-N 3.49Å; L9-V117 HydrophobicContact CB-CG1 3.82Å; L9-V117 HydrophobicContact CD1-CG1 4.17Å; L9-V120 HydrophobicContact CD1-CB 4.35Å; L9-V120 HydrophobicContact CD1-CG1 4Å; L9-V120 HydrophobicContact CD2-CG1 3.97Å; L9-M124 HydrophobicContact CD1-SD 4.22Å; L9-M124 HydrophobicContact CD2-SD 3.96Å; L9-L155 HydrophobicContact CD2-CD1 4.23Å; L9-V158 HydrophobicContact CD2-CG1 4.39Å
10L54.8Low49.5Very low10 Ų1079.5 Ų79.55%0.05241%0.405CS..Hα-helixtrans-57.6-46.3172.2-75.5177000111.6C6 R12 A13 F14 L114 V117 M381C6-L10 WeakPolarHBondContact O-CB 3.21Å; C6-L10 VanDerWaalsContact O-CG 3.29Å; C6-L10 WeakPolarHBondContact O-CG 3.26Å; C6-L10 PolarHBondContact O-N 3.33Å; L10-R12 VanDerWaalsContact C-N 3.27Å; L10-R12 PolarHBondContact O-N 2.93Å; L10-A13 PolarHBondContact O-N 3.05Å; L10-F14 HydrophobicContact CB-CD2 4.46Å; L10-F14 HydrophobicContact CD2-CD2 3.97Å; L10-F14 HydrophobicContact CD2-CE2 3.56Å; L10-F14 WeakPolarHBondContact O-CB 3.2Å; L10-F14 WeakPolarHBondContact O-CD2 3.43Å; L10-F14 PolarHBondContact O-N 3.03Å; L10-F14 VanDerWaalsContact O-N 3.07Å; L10-L114 HydrophobicContact CD1-CD2 4.4Å; L10-L114 HydrophobicContact CD2-CD2 4Å; L10-V117 HydrophobicContact CD2-CG2 3.89Å; L10-V117 HydrophobicContact CG-CG1 4.43Å; L10-V117 HydrophobicContact CG-CG2 4.46Å; L10-M381 WeakPolarHBondContact CD1-O 3.43Å
11S63.2Low48.8Very low69 Ų6977.8 Ų77.848%0.48340%0.4SS..Hα-helixtrans-60.4-38.5179.274.30000111.9Q7 Q8 L9 S15Q7-S11 WeakPolarHBondContact O-CB 3.25Å; Q7-S11 PolarHBondContact O-N 3.19Å; Q8-S11 PolarHBondContact O-N 3.26Å; Q8-S11 PolarHBondContact O-OG 3.39Å; L9-S11 VanDerWaalsContact C-N 3.34Å; L9-S11 PolarHBondContact O-N 3.21Å; S11-S15 WeakPolarHBondContact O-CA 3.33Å; S11-S15 WeakPolarHBondContact O-CB 3.32Å; S11-S15 PolarHBondContact O-N 2.9Å; S11-S15 PolarHBondContact O-OG 3.1Å
12R64.1Low49.1Very low107 Ų10774.7 Ų74.740%0.40440%0.396SS..Hα-helixtrans-76.6-41.8179.9-76179.1153-146.1-18.6113.4Q8 L9 L10 F14 S15 L155Q8-R12 PolarHBondContact O-N 3.31Å; L9-R12 PolarHBondContact O-N 3.48Å; L10-R12 VanDerWaalsContact C-N 3.27Å; L10-R12 PolarHBondContact O-N 2.93Å; R12-F14 PolarHBondContact O-N 3.11Å; R12-S15 PolarHBondContact O-OG 3.01Å; R12-L155 HydrophobicContact CB-CD2 3.8Å
13A54.5Low48.6Very low6 Ų670.9 Ų70.95%0.0538%0.384CS..Hα-helixtrans-60.5-32.7176.100000110.6L9 L10 Q154 L155L9-A13 WeakPolarHBondContact O-CB 3.41Å; L9-A13 PolarHBondContact O-N 3.49Å; L10-A13 PolarHBondContact O-N 3.05Å; A13-Q154 HydrophobicContact CB-CB 4.44Å; A13-Q154 PolarHBondContact O-OE1 2.99Å; A13-L155 HydrophobicContact CB-CD1 4.32Å; A13-L155 HydrophobicContact CB-CD2 4.01Å; A13-L155 HydrophobicContact CB-CG 4.05Å
14F71.9Confident48.5Very low14 Ų1474 Ų746%0.06139%0.39CS..THydrogen-bonded Turntrans-121.115.4-168.2-52.7-55.9000115.4L10 R12 E113 V151 R386 V389L10-F14 HydrophobicContact CB-CD2 4.46Å; L10-F14 HydrophobicContact CD2-CD2 3.97Å; L10-F14 HydrophobicContact CD2-CE2 3.56Å; L10-F14 WeakPolarHBondContact O-CB 3.2Å; L10-F14 WeakPolarHBondContact O-CD2 3.43Å; L10-F14 PolarHBondContact O-N 3.03Å; L10-F14 VanDerWaalsContact O-N 3.07Å; R12-F14 PolarHBondContact O-N 3.11Å; F14-E113 HydrophobicContact CE1-CG 4.18Å; F14-E113 HydrophobicContact CZ-CB 3.84Å; F14-E113 HydrophobicContact CZ-CG 3.77Å; F14-V151 HydrophobicContact CZ-CG2 4.15Å; F14-R386 VanDerWaalsContact CE1-CZ 3.48Å; F14-R386 HydrophobicContact CE2-CG 4.38Å; F14-V389 HydrophobicContact CB-CG1 4.43Å
15S50.6Low47.7Very low79 Ų7974.2 Ų74.255%0.55240%0.401SS*.  trans-78.6-21179.248.20000114.9S11 R12S11-S15 WeakPolarHBondContact O-CA 3.33Å; S11-S15 WeakPolarHBondContact O-CB 3.32Å; S11-S15 PolarHBondContact O-N 2.9Å; S11-S15 PolarHBondContact O-OG 3.1Å; R12-S15 PolarHBondContact O-OG 3.01Å
16H43.7Very low46.3Very low156 Ų15677.2 Ų77.272%0.72244%0.437SS*.SBendtrans-92.7140.2-179.3-73.9-71000112.1G18H16-G18 PolarHBondContact O-N 2.99Å
17R41.9Very low45.3Very low257 Ų25781.6 Ų81.697%0.9747%0.467SS*.THydrogen-bonded Turntrans-58.18.6-179.8-69.8-174.6179-157.61115.8
18G36.5Very low44.1Very low66 Ų6683.3 Ų83.368%0.6848%0.484SS*.THydrogen-bonded Turntrans-98.83.7-173.300000116.1H16 S20H16-G18 PolarHBondContact O-N 2.99Å; G18-S20 PolarHBondContact O-N 3.39Å
19A40.9Very low42.5Very low26 Ų2686.6 Ų86.622%0.21551%0.509CS..  trans-76.375.9173.800000110.2
20S40.8Very low41.1Very low97 Ų9793.9 Ų93.968%0.67855%0.547SS*.  trans-59.3137.4170.91750000110.4G18 A22G18-S20 PolarHBondContact O-N 3.39Å; S20-A22 PolarHBondContact O-N 3.3Å
21C35.4Very low39.6Very low45 Ų45101 Ų10130%0.30459%0.585SS.*  trans-72.389.8171.9-160.50000108F23C21-F23 PolarHBondContact O-N 3.12Å; C21-F23 VanDerWaalsContact O-N 3.09Å; C21-F23 WeakPolarHBondContact SG-CE2 3.42Å
22A38.8Very low37.9Very low74 Ų74104 Ų10461%0.61260%0.6SS**  trans-80.489.2177.300000109.4S20 R24S20-A22 PolarHBondContact O-N 3.3Å; A22-R24 PolarHBondContact O-N 2.68Å
23F35.5Very low36.1Very low68 Ų68101.8 Ų101.830%0.29861%0.611SS.*  trans-74.2119.8165.6-86.5-71.7000109.5C21 T25 S399 Q402C21-F23 PolarHBondContact O-N 3.12Å; C21-F23 VanDerWaalsContact O-N 3.09Å; C21-F23 WeakPolarHBondContact SG-CE2 3.42Å; F23-T25 PolarHBondContact O-N 3.07Å; F23-S399 VanDerWaalsContact CE2-CB 3.45Å; F23-S399 VanDerWaalsContact CE2-OG 3.24Å; F23-S399 WeakPolarHBondContact CE2-OG 3.29Å; F23-Q402 HydrophobicContact CE1-CB 4.27Å; F23-Q402 HydrophobicContact CE1-CG 3.8Å; F23-Q402 VanDerWaalsContact CE1-NE2 3.3Å; F23-Q402 HydrophobicContact CZ-CB 4.07Å; F23-Q402 HydrophobicContact CZ-CG 4.09Å
24R38.9Very low34.7Very low169 Ų169111.7 Ų111.764%0.63865%0.647SS**  trans-76.787.7171.5-63.9-174.6-172.6-159.55108.9A22A22-R24 PolarHBondContact O-N 2.68Å
25T28.7Very low32.6Very low120 Ų120122.6 Ų122.674%0.73669%0.688SS**  trans-103.6100.416452.80000108.5F23 S27F23-T25 PolarHBondContact O-N 3.07Å; T25-S27 PolarHBondContact O-N 3.13Å
26G25.9Very low31.3Very low86 Ų86129.7 Ų129.789%0.88770%0.702SS**  trans-80.8102.1169.400000109.8
27S23.1Very low30.5Very low101 Ų101128.6 Ų128.671%0.70671%0.711SS**  trans-106.4107.6164.164.20000108.6T25 T29T25-S27 PolarHBondContact O-N 3.13Å; S27-T29 PolarHBondContact O-N 3.44Å
28V25.9Very low29.8Very low133 Ų133121 Ų12181%0.80670%0.703SS**  trans-84.7107.8167.6178.20000107.2L30V28-L30 PolarHBondContact O-N 2.96Å
29T22.5Very low29.9Very low129 Ų129123.6 Ų123.679%0.79171%0.708SS**  trans-74.2112.3169.539.90000109.2S27S27-T29 PolarHBondContact O-N 3.44Å
30L25Very low29.3Very low159 Ų159128.1 Ų128.183%0.83274%0.738SS**  trans-83.6115168.3-79.9161.7000108.8V28V28-L30 PolarHBondContact O-N 2.96Å
31D24.6Very low28.9Very low159 Ų159128.1 Ų128.185%0.8574%0.744SS**  trans-77.5119.8177.3-1637.5000110.2G33D31-G33 PolarHBondContact O-N 3.32Å
32T27.9Very low28.8Very low133 Ų133132 Ų13282%0.81677%0.769SS**  trans-8886.5-177.7500000110.8
33G25.8Very low28.4Very low60 Ų60136.7 Ų136.762%0.61978%0.782SS**  trans-88.2109.7172.200000112.8D31D31-G33 PolarHBondContact O-N 3.32Å
34R24.9Very low28Very low214 Ų214139.1 Ų139.181%0.80881%0.807SS**  trans-79.6118.1-176.7-164.1-179.2-162.9-140.34.8111.6
35W27.2Very low27.9Very low244 Ų244136.9 Ų136.992%0.92482%0.817SS**  trans-120.7133.1169.6-68.289.6000111
36R24.5Very low28Very low227 Ų227136.3 Ų136.386%0.85782%0.818SS**  trans-85.3146.4-175.2-68.7-179.1-173.6-121.35.4111.7
37C26.8Very low28.5Very low133 Ų133138 Ų13890%0.89982%0.816SS**  trans-72.5152.9177-61.60000114.4
38A27.3Very low29.1Very low97 Ų97137.4 Ų137.480%0.80282%0.817SS**  trans-132.8145.8151.600000109.4
39P36.7Very low29.6Very low121 Ų121140 Ų14079%0.78682%0.821SS**  trans-103.9149.1-166.137.6-30.3000113.8
40S30.2Very low30.2Very low121 Ų121140.4 Ų140.485%0.84682%0.818SS**  trans-162.8116.2150.3-9.20000113.6
41A30.7Very low30.8Very low97 Ų97144 Ų14480%0.80282%0.82SS**  trans60.2144.3144.600000122.7
42P34.3Very low31.5Very low128 Ų128144.4 Ų144.483%0.83182%0.815SS**  trans-92.4132.4-162.136-28.8000111.7
43L29.4Very low32.6Very low171 Ų171143.4 Ų143.490%0.89581%0.813SS**  trans-125.1128.1168-89.2154.2000109.7
44C28Very low34.3Very low120 Ų120148.2 Ų148.281%0.81182%0.819SS**  trans-24.7127.2-175.2-64.80000116.4S46C44-S46 PolarHBondContact O-N 3.45Å
45S37Very low36.6Very low121 Ų121141.6 Ų141.685%0.84680%0.803SS**  trans-57.8102.616653.20000111.2
46S30.5Very low39.5Very low109 Ų109132.9 Ų132.976%0.76278%0.78SS**  trans-119.879152.562.30000108.3C44 A48C44-S46 PolarHBondContact O-N 3.45Å; S46-A48 PolarHBondContact O-N 2.93Å
47S36.1Very low42.8Very low122 Ų122122.3 Ų122.385%0.85374%0.74SS**  trans-74.174.3167.359.60000109.3
48A36.5Very low45.9Very low88 Ų88118.2 Ų118.273%0.72771%0.709SS**  trans-129.760.8160.600000107.1S46 D50S46-A48 PolarHBondContact O-N 2.93Å; A48-D50 VanDerWaalsContact C-N 3.35Å; A48-D50 PolarHBondContact O-N 3.15Å
49Q35.4Very low49Very low188 Ų188121.2 Ų121.288%0.87970%0.704SS**  trans-63106.5159.1-88.4176.3-17.900106.8R51Q49-R51 VanDerWaalsContact C-N 3.32Å; Q49-R51 PolarHBondContact O-N 2.84Å
50D34.3Very low51.8Low137 Ų137119 Ų11973%0.73368%0.683SS**  trans-44.887.3170.9-165.316.7000110.9A48 K52A48-D50 VanDerWaalsContact C-N 3.35Å; A48-D50 PolarHBondContact O-N 3.15Å; D50-K52 PolarHBondContact O-N 3.44Å
51R37.9Very low54.9Low233 Ų233113.2 Ų113.288%0.87964%0.643SS**  trans-70.488.3166-77.9-172.4179.5-162.60.6106.2Q49 S53Q49-R51 VanDerWaalsContact C-N 3.32Å; Q49-R51 PolarHBondContact O-N 2.84Å; R51-S53 PolarHBondContact O-N 3.29Å
52K40.8Very low58Low169 Ų169112 Ų11274%0.73562%0.617SS**  trans-46.1107.1167.9-73.5-177.2178.81790108.1D50 H54D50-K52 PolarHBondContact O-N 3.44Å; K52-H54 PolarHBondContact O-N 3.41Å
53S51.1Low60.8Low111 Ų111108.8 Ų108.878%0.77660%0.602SS**PPolyproline II helixtrans-58.6117.4-176.668.90000107.6R51R51-S53 PolarHBondContact O-N 3.29Å
54H60.1Low64Low162 Ų162102.3 Ų102.375%0.7557%0.566SS**PPolyproline II helixtrans-55.5138.4176.9-74.3-13.1000109.9K52 S56K52-H54 PolarHBondContact O-N 3.41Å; H54-S56 PolarHBondContact O-N 2.86Å; H54-S56 VanDerWaalsContact O-N 3.1Å
55P74.2Confident67.3Low74 Ų7496.9 Ų96.948%0.48153%0.529SS..PPolyproline II helixtrans-53.4120.9176.9-26.134.9000110.1M57 V85 R91P55-M57 PolarHBondContact O-N 3.24Å; P55-V85 HydrophobicContact CB-CG1 3.77Å; P55-V85 HydrophobicContact CG-CG1 3.61Å; P55-R91 PolarHBondContact O-NH1 3.15Å
56S88Confident70.1Confident61 Ų6198.9 Ų98.943%0.42752%0.518SS..PPolyproline II helixtrans-83.6116.3-178.7172.20000109.6H54 L58 K59 H60H54-S56 PolarHBondContact O-N 2.86Å; H54-S56 VanDerWaalsContact O-N 3.1Å; S56-L58 VanDerWaalsContact C-N 3.26Å; S56-L58 PolarHBondContact O-N 3.02Å; S56-K59 WeakPolarHBondContact O-CB 3.32Å; S56-K59 PolarHBondContact O-N 2.93Å; S56-K59 VanDerWaalsContact O-N 3.11Å; S56-K59 PolarHBondContact OG-N 2.91Å; S56-H60 PolarHBondContact O-N 3.33Å; S56-H60 VanDerWaalsContact O-N 3.09Å
57M92.4Very high73.2Confident5 Ų598.1 Ų98.13%0.02551%0.513CS..Hα-helixtrans-56-43.2174-179.254.871.400111.2P55 K59 H60 L61 E79 V80 N83 A86 P344P55-M57 PolarHBondContact O-N 3.24Å; M57-K59 VanDerWaalsContact C-N 3.34Å; M57-K59 PolarHBondContact O-N 2.67Å; M57-H60 WeakPolarHBondContact O-CB 3.46Å; M57-H60 PolarHBondContact O-N 2.99Å; M57-L61 HydrophobicContact CG-CD1 4Å; M57-L61 HydrophobicContact CG-CG 4.4Å; M57-L61 WeakPolarHBondContact O-CG 3.27Å; M57-L61 PolarHBondContact O-N 2.83Å; M57-L61 HydrophobicContact SD-CD1 4.32Å; M57-L61 HydrophobicContact SD-CG 4.17Å; M57-E79 WeakPolarHBondContact CE-O 3.45Å; M57-E79 HydrophobicContact SD-CB 4.43Å; M57-V80 HydrophobicContact CG-CG2 4.22Å; M57-N83 HydrophobicContact CE-CB 3.76Å; M57-A86 HydrophobicContact CB-CB 4.44Å; M57-A86 VanDerWaalsContact CE-C 3.41Å; M57-A86 HydrophobicContact CE-CB 3.63Å; M57-A86 VanDerWaalsContact CE-O 3.31Å; M57-A86 WeakPolarHBondContact CE-O 3.21Å; M57-P344 HydrophobicContact CB-CB 4.42Å; M57-P344 VanDerWaalsContact CB-O 3.25Å; M57-P344 WeakPolarHBondContact CB-O 3.41Å; M57-P344 HydrophobicContact CG-CB 3.78Å; M57-P344 WeakPolarHBondContact CG-O 3.42Å
58L93.1Very high76.1Confident47 Ų4796.9 Ų96.925%0.24650%0.5CS..Hα-helixtrans-59.9-42176-18063000112.1S56 H60 L61 R62 G263 L265 P344S56-L58 VanDerWaalsContact C-N 3.26Å; S56-L58 PolarHBondContact O-N 3.02Å; L58-H60 VanDerWaalsContact C-N 3.34Å; L58-H60 PolarHBondContact O-N 3.2Å; L58-L61 PolarHBondContact O-N 3.45Å; L58-R62 HydrophobicContact CD1-CG 4.25Å; L58-R62 HydrophobicContact CG-CG 4.44Å; L58-R62 WeakPolarHBondContact O-CB 3.32Å; L58-R62 WeakPolarHBondContact O-CG 3.13Å; L58-R62 PolarHBondContact O-N 3.18Å; L58-G263 WeakPolarHBondContact CD2-O 3.34Å; L58-L265 HydrophobicContact CD1-CD1 4.32Å; L58-L265 HydrophobicContact CD1-CD2 4.31Å; L58-L265 HydrophobicContact CD1-CG 4.1Å; L58-P344 HydrophobicContact CD1-CG 4.42Å
59K92.8Very high78.9Confident160 Ų16093.9 Ų93.970%0.69648%0.478SS*.Hα-helixtrans-62.9-41.1176.7-173-180178.1-178.40111.6S56 M57 A63S56-K59 WeakPolarHBondContact O-CB 3.32Å; S56-K59 PolarHBondContact O-N 2.93Å; S56-K59 VanDerWaalsContact O-N 3.11Å; S56-K59 PolarHBondContact OG-N 2.91Å; M57-K59 VanDerWaalsContact C-N 3.34Å; M57-K59 PolarHBondContact O-N 2.67Å; K59-A63 PolarHBondContact O-N 2.85Å
60H94.1Very high81.9Confident74 Ų7487.6 Ų87.634%0.34345%0.454SS..Hα-helixtrans-60.5-53.4175171.564.1000111.7S56 M57 L58 R62 A63 K64 E79S56-H60 PolarHBondContact O-N 3.33Å; S56-H60 VanDerWaalsContact O-N 3.09Å; M57-H60 WeakPolarHBondContact O-CB 3.46Å; M57-H60 PolarHBondContact O-N 2.99Å; L58-H60 VanDerWaalsContact C-N 3.34Å; L58-H60 PolarHBondContact O-N 3.2Å; H60-R62 VanDerWaalsContact C-N 3.3Å; H60-R62 PolarHBondContact O-N 3.5Å; H60-A63 WeakPolarHBondContact O-CB 3.47Å; H60-A63 PolarHBondContact O-N 3.48Å; H60-A63 VanDerWaalsContact O-N 3.12Å; H60-K64 PolarHBondContact O-N 2.85Å; H60-E79 IonicContact CD2-OE2 3.75Å; H60-E79 PolarHBondContact CD2-OE2 2.91Å; H60-E79 IonicContact CE1-OE2 3.1Å; H60-E79 VanDerWaalsContact NE2-CD 3.28Å; H60-E79 IonicContact NE2-OE1 2.6Å; H60-E79 PolarHBondContact NE2-OE1 3.38Å; H60-E79 IonicContact NE2-OE2 3.89Å; H60-E79 PolarHBondContact NE2-OE2 3.07Å
61L95.8Very high84.9Confident0 Ų081.2 Ų81.20%042%0.42CS..Hα-helixtrans-58.8-40.9178.2-68.2171.5000112.1M57 L58 A63 K64 I65 I71 Y76 E79 V80 L265 P344M57-L61 HydrophobicContact CG-CD1 4Å; M57-L61 HydrophobicContact CG-CG 4.4Å; M57-L61 WeakPolarHBondContact O-CG 3.27Å; M57-L61 PolarHBondContact O-N 2.83Å; M57-L61 HydrophobicContact SD-CD1 4.32Å; M57-L61 HydrophobicContact SD-CG 4.17Å; L58-L61 PolarHBondContact O-N 3.45Å; L61-A63 PolarHBondContact O-N 2.97Å; L61-K64 PolarHBondContact O-N 2.9Å; L61-I65 WeakPolarHBondContact O-CG1 3.42Å; L61-I65 PolarHBondContact O-N 3.44Å; L61-I71 HydrophobicContact CD2-CD1 3.96Å; L61-Y76 HydrophobicContact CD1-CD2 3.89Å; L61-Y76 HydrophobicContact CD1-CE2 3.58Å; L61-Y76 HydrophobicContact CD2-CD2 4.22Å; L61-E79 HydrophobicContact CD2-CB 3.93Å; L61-E79 HydrophobicContact CD2-CG 4.28Å; L61-V80 HydrophobicContact CD1-CG2 4.2Å; L61-L265 HydrophobicContact CD1-CD1 4.09Å; L61-P344 HydrophobicContact CD1-CB 3.66Å; L61-P344 HydrophobicContact CD1-CG 4.14Å
62R95.3Very high87.8Confident71 Ų7171 Ų7127%0.26838%0.383SS..Hα-helixtrans-61.9-43.4175.5-74.1172.669.1178.56.8112.7L58 H60 K64 R66 L257 P262L58-R62 HydrophobicContact CD1-CG 4.25Å; L58-R62 HydrophobicContact CG-CG 4.44Å; L58-R62 WeakPolarHBondContact O-CB 3.32Å; L58-R62 WeakPolarHBondContact O-CG 3.13Å; L58-R62 PolarHBondContact O-N 3.18Å; H60-R62 VanDerWaalsContact C-N 3.3Å; H60-R62 PolarHBondContact O-N 3.5Å; R62-K64 VanDerWaalsContact C-N 3.31Å; R62-R66 WeakPolarHBondContact O-CB 3.42Å; R62-R66 VanDerWaalsContact O-CG 3.25Å; R62-R66 WeakPolarHBondContact O-CG 3.43Å; R62-R66 PolarHBondContact O-N 3.25Å; R62-R66 VanDerWaalsContact O-N 3.1Å; R62-L257 HydrophobicContact CB-CD2 4.37Å; R62-L257 HydrophobicContact CG-CD2 3.73Å; R62-P262 WeakPolarHBondContact CD-O 3.49Å; R62-P262 PolarHBondContact NE-O 3.3Å; R62-P262 PolarHBondContact NH2-O 2.93Å
63A94.4Very high90.6Very high61 Ų6162.9 Ų62.950%0.50435%0.348SS..Hα-helixtrans-62.8-42.517700000110.8K59 H60 L61 R66 S67K59-A63 PolarHBondContact O-N 2.85Å; H60-A63 WeakPolarHBondContact O-CB 3.47Å; H60-A63 PolarHBondContact O-N 3.48Å; H60-A63 VanDerWaalsContact O-N 3.12Å; L61-A63 PolarHBondContact O-N 2.97Å; A63-R66 PolarHBondContact O-N 2.86Å; A63-S67 PolarHBondContact O-N 2.94Å; A63-S67 VanDerWaalsContact O-N 3.15Å; A63-S67 PolarHBondContact O-OG 3.39Å
64K95.5Very high92.8Very high36 Ų3658 Ų5816%0.15731%0.314CS..Hα-helixtrans-64.7-47.8178.7-167.6174.7-171.2179.70113.1H60 L61 R62 R66 S67 T68 I71 E75 E79H60-K64 PolarHBondContact O-N 2.85Å; L61-K64 PolarHBondContact O-N 2.9Å; R62-K64 VanDerWaalsContact C-N 3.31Å; K64-R66 VanDerWaalsContact C-N 3.3Å; K64-R66 PolarHBondContact O-N 2.93Å; K64-S67 PolarHBondContact O-N 3.02Å; K64-S67 VanDerWaalsContact O-N 3.16Å; K64-S67 PolarHBondContact O-OG 2.84Å; K64-T68 PolarHBondContact O-N 3.16Å; K64-T68 PolarHBondContact O-OG1 3.35Å; K64-I71 HydrophobicContact CD-CG2 4.49Å; K64-I71 HydrophobicContact CG-CG2 4.35Å; K64-E75 WeakPolarHBondContact CE-OE1 3.42Å; K64-E75 VanDerWaalsContact NZ-CD 3.31Å; K64-E75 IonicContact NZ-OE1 3.25Å; K64-E75 PolarHBondContact NZ-OE1 2.89Å; K64-E79 IonicContact NZ-OE1 2.85Å; K64-E79 PolarHBondContact NZ-OE1 2.86Å
65I96.9Very high94.6Very high5 Ų553.7 Ų53.73%0.02629%0.294CS..Hα-helixtrans-65.1-37.1179.4-66.6164.7000110.7L61 S67 G69 I71 V255 D256 L257 L265L61-I65 WeakPolarHBondContact O-CG1 3.42Å; L61-I65 PolarHBondContact O-N 3.44Å; I65-S67 VanDerWaalsContact C-N 3.3Å; I65-S67 PolarHBondContact O-N 2.95Å; I65-G69 VanDerWaalsContact CA-O 3.31Å; I65-G69 WeakPolarHBondContact CA-O 3.39Å; I65-G69 CarbonylContact O-C 3.54Å; I65-G69 WeakPolarHBondContact O-CA 3.16Å; I65-G69 PolarHBondContact O-N 3.4Å; I65-I71 HydrophobicContact CD1-CD1 4.42Å; I65-I71 HydrophobicContact CD1-CG1 4.38Å; I65-I71 HydrophobicContact CG1-CD1 4.24Å; I65-I71 HydrophobicContact CG1-CG1 4.09Å; I65-I71 HydrophobicContact CG1-CG2 4.16Å; I65-V255 HydrophobicContact CD1-CG1 4.5Å; I65-D256 WeakPolarHBondContact CG2-OD1 3.48Å; I65-L257 HydrophobicContact CB-CD2 4.46Å; I65-L257 HydrophobicContact CB-CG 4.28Å; I65-L257 HydrophobicContact CD1-CD2 4.05Å; I65-L257 HydrophobicContact CG2-CD2 4.45Å; I65-L257 HydrophobicContact CG2-CG 3.86Å; I65-L265 HydrophobicContact CD1-CD2 3.86Å
66R95.9Very high95.7Very high163 Ų16350.2 Ų50.262%0.61527%0.271SS*.Hα-helixtrans-65.8-31.2175.1-75.6173.6175.6-178.1-5.5113.5R62 A63 K64 L257R62-R66 WeakPolarHBondContact O-CB 3.42Å; R62-R66 VanDerWaalsContact O-CG 3.25Å; R62-R66 WeakPolarHBondContact O-CG 3.43Å; R62-R66 PolarHBondContact O-N 3.25Å; R62-R66 VanDerWaalsContact O-N 3.1Å; A63-R66 PolarHBondContact O-N 2.86Å; K64-R66 VanDerWaalsContact C-N 3.3Å; K64-R66 PolarHBondContact O-N 2.93Å; R66-L257 HydrophobicContact CG-CD1 3.91Å
67S96.4Very high96.2Very high93 Ų9347.3 Ų47.365%0.6525%0.251SS*.Hα-helixtrans-88.1-31.8-178.461.10000113.5A63 K64 I65A63-S67 PolarHBondContact O-N 2.94Å; A63-S67 VanDerWaalsContact O-N 3.15Å; A63-S67 PolarHBondContact O-OG 3.39Å; K64-S67 PolarHBondContact O-N 3.02Å; K64-S67 VanDerWaalsContact O-N 3.16Å; K64-S67 PolarHBondContact O-OG 2.84Å; I65-S67 VanDerWaalsContact C-N 3.3Å; I65-S67 PolarHBondContact O-N 2.95Å
68T96Very high96.3Very high96 Ų9652.9 Ų52.959%0.58927%0.272SS*.Hα-helixtrans-114.7-10.5-172.1580000114.3K64K64-T68 PolarHBondContact O-N 3.16Å; K64-T68 PolarHBondContact O-OG1 3.35Å
69G96.4Very high96.4Very high26 Ų2652.2 Ų52.227%0.26827%0.268SS..  trans85.3-170-167.400000112.2I65 I71I65-G69 VanDerWaalsContact CA-O 3.31Å; I65-G69 WeakPolarHBondContact CA-O 3.39Å; I65-G69 CarbonylContact O-C 3.54Å; I65-G69 WeakPolarHBondContact O-CA 3.16Å; I65-G69 PolarHBondContact O-N 3.4Å; G69-I71 PolarHBondContact O-N 3.19Å
70P97.9Very high96.4Very high56 Ų5644.7 Ų44.736%0.36424%0.235SC..SBendtrans-56.5135.5177.7-23.933.6000111.9L254 V255 D256 V268P70-L254 HydrophobicContact CB-CB 3.73Å; P70-L254 HydrophobicContact CB-CD1 3.83Å; P70-L254 HydrophobicContact CB-CG 4.43Å; P70-V255 CarbonylContact C-O 3.17Å; P70-V255 WeakPolarHBondContact CA-O 3.42Å; P70-D256 HydrophobicContact CB-CB 4Å; P70-D256 HydrophobicContact CG-CB 3.97Å; P70-V268 HydrophobicContact CB-CG2 4.19Å; P70-V268 HydrophobicContact CG-CG2 4.4Å
71I98.3Very high96.2Very high3 Ų341.2 Ų41.22%0.01522%0.219CC..EExtended strand (participates in β ladder)trans-98.4154.7-178.660.9175.6000110.9L61 K64 I65 G69 E75 L254 V255L61-I71 HydrophobicContact CD2-CD1 3.96Å; K64-I71 HydrophobicContact CD-CG2 4.49Å; K64-I71 HydrophobicContact CG-CG2 4.35Å; I65-I71 HydrophobicContact CD1-CD1 4.42Å; I65-I71 HydrophobicContact CD1-CG1 4.38Å; I65-I71 HydrophobicContact CG1-CD1 4.24Å; I65-I71 HydrophobicContact CG1-CG1 4.09Å; I65-I71 HydrophobicContact CG1-CG2 4.16Å; G69-I71 PolarHBondContact O-N 3.19Å; I71-E75 HydrophobicContact CB-CB 4.43Å; I71-E75 HydrophobicContact CB-CG 4.39Å; I71-L254 CarbonylContact O-C 3.58Å; I71-L254 VanDerWaalsContact O-CA 3.25Å; I71-L254 WeakPolarHBondContact O-CA 3.05Å; I71-L254 WeakPolarHBondContact O-CB 3.45Å; I71-V255 HydrophobicContact CG1-CB 4.06Å; I71-V255 PolarHBondContact N-O 2.84Å; I71-V255 PolarHBondContact O-N 2.96Å
72S98.5Very high95.8Very high17 Ų1744.3 Ų44.312%0.11924%0.238CC..EExtended strand (participates in β ladder)trans-65.6156.1176.367.90000112S74 E75 Y76 E252S72-S74 PolarHBondContact O-N 2.81Å; S72-E75 PolarHBondContact O-N 3.46Å; S72-E75 VanDerWaalsContact O-N 3.16Å; S72-E75 WeakPolarHBondContact OG-CB 3.28Å; S72-E75 PolarHBondContact OG-N 3.06Å; S72-Y76 PolarHBondContact O-N 3.42Å; S72-E252 WeakPolarHBondContact CB-OE1 3.4Å
73V98.4Very high95.6Very high0 Ų042 Ų420%023%0.231CC..Hα-helixtrans-58.9-35.1170.8175.40000111E75 Y76 M77 V240 K242 V253 V255 L267 F329V73-E75 PolarHBondContact O-N 3.45Å; V73-Y76 PolarHBondContact O-N 3.46Å; V73-M77 VanDerWaalsContact O-CB 3.3Å; V73-M77 WeakPolarHBondContact O-CB 3.46Å; V73-M77 PolarHBondContact O-N 2.99Å; V73-V240 CarbonylContact C-O 3.59Å; V73-K242 HydrophobicContact CB-CB 4.5Å; V73-K242 HydrophobicContact CB-CD 4.34Å; V73-K242 HydrophobicContact CB-CG 4.03Å; V73-K242 HydrophobicContact CG1-CD 3.96Å; V73-K242 HydrophobicContact CG1-CG 3.95Å; V73-K242 HydrophobicContact CG2-CB 4.26Å; V73-K242 HydrophobicContact CG2-CD 4.05Å; V73-K242 HydrophobicContact CG2-CG 4.07Å; V73-V253 HydrophobicContact CG2-CG1 4.42Å; V73-V255 HydrophobicContact CG2-CG2 4.26Å; V73-L267 HydrophobicContact CG2-CD2 4.17Å; V73-F329 HydrophobicContact CG1-CD1 4.04Å; V73-F329 HydrophobicContact CG1-CD2 4.39Å; V73-F329 HydrophobicContact CG1-CE1 3.81Å; V73-F329 HydrophobicContact CG1-CE2 4.2Å; V73-F329 HydrophobicContact CG1-CG 4.31Å; V73-F329 HydrophobicContact CG1-CZ 3.9Å
74S98.1Very high95.1Very high7 Ų744.2 Ų44.25%0.04924%0.24CC..Hα-helixtrans-60.4-47.5175.4-178.10000111S72 M77 R78 P239 V240S72-S74 PolarHBondContact O-N 2.81Å; S74-M77 PolarHBondContact O-N 3.38Å; S74-R78 WeakPolarHBondContact O-CB 3.37Å; S74-R78 PolarHBondContact O-N 3.04Å; S74-P239 WeakPolarHBondContact O-CB 3.31Å; S74-P239 WeakPolarHBondContact OG-CB 3.47Å; S74-V240 WeakPolarHBondContact CA-O 3.34Å; S74-V240 WeakPolarHBondContact CB-O 3.39Å; S74-V240 PolarHBondContact N-O 2.99Å
75E97.6Very high94.6Very high72 Ų7246.7 Ų46.734%0.33626%0.258SS..Hα-helixtrans-67.1-40.9179.1-176.2163.4-153.600112.1K64 I71 S72 V73 R78 E79K64-E75 WeakPolarHBondContact CE-OE1 3.42Å; K64-E75 VanDerWaalsContact NZ-CD 3.31Å; K64-E75 IonicContact NZ-OE1 3.25Å; K64-E75 PolarHBondContact NZ-OE1 2.89Å; I71-E75 HydrophobicContact CB-CB 4.43Å; I71-E75 HydrophobicContact CB-CG 4.39Å; S72-E75 PolarHBondContact O-N 3.46Å; S72-E75 VanDerWaalsContact O-N 3.16Å; S72-E75 WeakPolarHBondContact OG-CB 3.28Å; S72-E75 PolarHBondContact OG-N 3.06Å; V73-E75 PolarHBondContact O-N 3.45Å; E75-R78 PolarHBondContact O-N 3.22Å; E75-E79 VanDerWaalsContact O-CG 3.31Å; E75-E79 WeakPolarHBondContact O-CG 3.45Å; E75-E79 PolarHBondContact O-N 2.83Å
76Y98.1Very high94.1Very high1 Ų146.7 Ų46.70%0.00426%0.259CS..Hα-helixtrans-57.3-50172.5173.4-105.7000112L61 S72 V73 R78 E79 V80 V255 L265 F329 V340 L341 P344 L349L61-Y76 HydrophobicContact CD1-CD2 3.89Å; L61-Y76 HydrophobicContact CD1-CE2 3.58Å; L61-Y76 HydrophobicContact CD2-CD2 4.22Å; S72-Y76 PolarHBondContact O-N 3.42Å; V73-Y76 PolarHBondContact O-N 3.46Å; Y76-R78 PolarHBondContact O-N 2.93Å; Y76-E79 PolarHBondContact O-N 3.4Å; Y76-V80 HydrophobicContact CD2-CG2 4.07Å; Y76-V80 HydrophobicContact CE1-CG2 4.21Å; Y76-V80 HydrophobicContact CE2-CG2 3.55Å; Y76-V80 WeakPolarHBondContact O-CB 3.44Å; Y76-V80 WeakPolarHBondContact O-CG2 3.41Å; Y76-V80 PolarHBondContact O-N 3.28Å; Y76-V255 HydrophobicContact CD1-CG2 4.24Å; Y76-V255 HydrophobicContact CD2-CG1 4.22Å; Y76-V255 HydrophobicContact CD2-CG2 4.38Å; Y76-V255 HydrophobicContact CG-CG2 3.87Å; Y76-L265 HydrophobicContact CD2-CD1 4.44Å; Y76-L265 HydrophobicContact CE2-CD1 3.73Å; Y76-F329 HydrophobicContact CD1-CZ 4.25Å; Y76-F329 HydrophobicContact CE1-CZ 4.32Å; Y76-V340 WeakPolarHBondContact CE1-O 3.06Å; Y76-V340 PolarHBondContact OH-O 2.74Å; Y76-L341 HydrophobicContact CD1-CD2 4.36Å; Y76-L341 HydrophobicContact CE1-CD2 3.78Å; Y76-L341 HydrophobicContact CE2-CD2 4.25Å; Y76-P344 HydrophobicContact CE2-CB 4.24Å; Y76-P344 HydrophobicContact CE2-CG 4.36Å; Y76-L349 HydrophobicContact CD1-CD1 4.25Å; Y76-L349 HydrophobicContact CE1-CD1 3.73Å
77M97.2Very high93.7Very high0 Ų038.9 Ų38.90%023%0.229CC..Hα-helixtrans-61.2-43.1179.9-171.7171.2173.200111.2V73 S74 V80 L81 D236 L238 V240 F329 L349V73-M77 VanDerWaalsContact O-CB 3.3Å; V73-M77 WeakPolarHBondContact O-CB 3.46Å; V73-M77 PolarHBondContact O-N 2.99Å; S74-M77 PolarHBondContact O-N 3.38Å; M77-V80 PolarHBondContact O-N 3.21Å; M77-L81 HydrophobicContact CE-CD1 3.75Å; M77-L81 HydrophobicContact CG-CD1 3.6Å; M77-L81 HydrophobicContact CG-CG 4.26Å; M77-L81 VanDerWaalsContact O-CB 3.28Å; M77-L81 WeakPolarHBondContact O-CB 3.15Å; M77-L81 VanDerWaalsContact O-CG 3.29Å; M77-L81 WeakPolarHBondContact O-CG 3.48Å; M77-L81 PolarHBondContact O-N 2.93Å; M77-D236 WeakPolarHBondContact CE-O 3.37Å; M77-L238 VanDerWaalsContact CE-O 3.3Å; M77-L238 WeakPolarHBondContact CE-O 3.36Å; M77-V240 HydrophobicContact SD-CG2 4.14Å; M77-F329 HydrophobicContact CG-CE2 4.39Å; M77-F329 HydrophobicContact SD-CD2 4.36Å; M77-F329 HydrophobicContact SD-CE2 3.94Å; M77-L349 HydrophobicContact CG-CB 4.32Å; M77-L349 HydrophobicContact CG-CD1 4.43Å
78R95.3Very high93.2Very high122 Ų12234.6 Ų34.646%0.4620%0.199SC..Hα-helixtrans-59.8-48.2176-175.3170.7-70.8160.4-0.5112.4S74 E75 Y76 T82 P239 E295S74-R78 WeakPolarHBondContact O-CB 3.37Å; S74-R78 PolarHBondContact O-N 3.04Å; E75-R78 PolarHBondContact O-N 3.22Å; Y76-R78 PolarHBondContact O-N 2.93Å; R78-T82 PolarHBondContact O-N 3.36Å; R78-T82 PolarHBondContact O-OG1 2.98Å; R78-P239 HydrophobicContact CB-CG 3.87Å; R78-P239 HydrophobicContact CG-CG 4.47Å; R78-E295 IonicContact CZ-OE2 2.73Å; R78-E295 IonicContact NH2-OE2 2.72Å; R78-E295 PolarHBondContact NH2-OE2 3.29Å
79E94.9Very high92.3Very high34 Ų3432.9 Ų32.916%0.15918%0.182CC..Hα-helixtrans-63-46.9178.2-69.1-73.8-177.400111.3M57 H60 L61 K64 E75 Y76 L81 N83M57-E79 WeakPolarHBondContact CE-O 3.45Å; M57-E79 HydrophobicContact SD-CB 4.43Å; H60-E79 IonicContact CD2-OE2 3.75Å; H60-E79 PolarHBondContact CD2-OE2 2.91Å; H60-E79 IonicContact CE1-OE2 3.1Å; H60-E79 VanDerWaalsContact NE2-CD 3.28Å; H60-E79 IonicContact NE2-OE1 2.6Å; H60-E79 PolarHBondContact NE2-OE1 3.38Å; H60-E79 IonicContact NE2-OE2 3.89Å; H60-E79 PolarHBondContact NE2-OE2 3.07Å; L61-E79 HydrophobicContact CD2-CB 3.93Å; L61-E79 HydrophobicContact CD2-CG 4.28Å; K64-E79 IonicContact NZ-OE1 2.85Å; K64-E79 PolarHBondContact NZ-OE1 2.86Å; E75-E79 VanDerWaalsContact O-CG 3.31Å; E75-E79 WeakPolarHBondContact O-CG 3.45Å; E75-E79 PolarHBondContact O-N 2.83Å; Y76-E79 PolarHBondContact O-N 3.4Å; E79-L81 PolarHBondContact O-N 3.28Å; E79-N83 WeakPolarHBondContact O-CB 3.14Å; E79-N83 PolarHBondContact O-N 3.07Å; E79-N83 PolarHBondContact OE2-ND2 3.33Å
80V93.6Very high91.4Very high1 Ų134.2 Ų34.21%0.00619%0.185CC..Hα-helixtrans-66.6-38.6-178.21620000112.6M57 L61 Y76 M77 G87 Y88 P344 G345 L349M57-V80 HydrophobicContact CG-CG2 4.22Å; L61-V80 HydrophobicContact CD1-CG2 4.2Å; Y76-V80 HydrophobicContact CD2-CG2 4.07Å; Y76-V80 HydrophobicContact CE1-CG2 4.21Å; Y76-V80 HydrophobicContact CE2-CG2 3.55Å; Y76-V80 WeakPolarHBondContact O-CB 3.44Å; Y76-V80 WeakPolarHBondContact O-CG2 3.41Å; Y76-V80 PolarHBondContact O-N 3.28Å; M77-V80 PolarHBondContact O-N 3.21Å; V80-G87 CarbonylContact O-C 3.54Å; V80-G87 WeakPolarHBondContact O-CA 3.48Å; V80-Y88 WeakPolarHBondContact O-CB 3.29Å; V80-Y88 PolarHBondContact O-N 3.27Å; V80-P344 HydrophobicContact CG2-CB 3.77Å; V80-G345 VanDerWaalsContact CG1-N 3.32Å; V80-L349 HydrophobicContact CB-CD1 3.94Å; V80-L349 HydrophobicContact CG1-CD1 3.49Å; V80-L349 VanDerWaalsContact CG1-CD1 3.49Å; V80-L349 HydrophobicContact CG1-CG 4.01Å
81L89.7Confident90.2Very high2 Ų237 Ų371%0.0119%0.188CC..Hα-helixtrans-86.3-46.2-175.2-65.9-179.6000113.3M77 E79 G87 Y88 Y89 A237 L349M77-L81 HydrophobicContact CE-CD1 3.75Å; M77-L81 HydrophobicContact CG-CD1 3.6Å; M77-L81 HydrophobicContact CG-CG 4.26Å; M77-L81 VanDerWaalsContact O-CB 3.28Å; M77-L81 WeakPolarHBondContact O-CB 3.15Å; M77-L81 VanDerWaalsContact O-CG 3.29Å; M77-L81 WeakPolarHBondContact O-CG 3.48Å; M77-L81 PolarHBondContact O-N 2.93Å; E79-L81 PolarHBondContact O-N 3.28Å; L81-G87 CarbonylContact O-C 3.59Å; L81-Y88 HydrophobicContact CD2-CD1 4.09Å; L81-Y88 HydrophobicContact CD2-CG 4.37Å; L81-Y88 PolarHBondContact O-N 2.81Å; L81-Y88 VanDerWaalsContact O-N 3.16Å; L81-Y89 HydrophobicContact CB-CD2 3.99Å; L81-Y89 HydrophobicContact CB-CE2 3.87Å; L81-Y89 HydrophobicContact CD1-CE2 4.17Å; L81-Y89 HydrophobicContact CD2-CE2 4Å; L81-Y89 HydrophobicContact CG-CE2 4.24Å; L81-Y89 PolarHBondContact O-N 2.95Å; L81-A237 WeakPolarHBondContact CD1-O 3.4Å; L81-L349 HydrophobicContact CD1-CB 4.27Å; L81-L349 HydrophobicContact CD2-CB 4.03Å; L81-L349 HydrophobicContact CD2-CG 4.33Å; L81-L349 HydrophobicContact CG-CB 4.3Å
82T88.1Confident88.4Confident65 Ų6541 Ų4140%0.39921%0.205SC..Hα-helixtrans-121.22.5-162.462.10000115R78 Y89R78-T82 PolarHBondContact O-N 3.36Å; R78-T82 PolarHBondContact O-OG1 2.98Å; T82-Y89 HydrophobicContact CG2-CD2 4.3Å
83N90.4Very high86.3Confident21 Ų2147 Ų4711%0.11223%0.233CC..  trans-54.8129.7176.6177.1-69.2000110.8M57 E79 V85 A86 G87 V90M57-N83 HydrophobicContact CE-CB 3.76Å; E79-N83 WeakPolarHBondContact O-CB 3.14Å; E79-N83 PolarHBondContact O-N 3.07Å; E79-N83 PolarHBondContact OE2-ND2 3.33Å; N83-V85 PolarHBondContact O-N 3.22Å; N83-V85 WeakPolarHBondContact OD1-CB 3.38Å; N83-V85 PolarHBondContact OD1-N 3.06Å; N83-A86 PolarHBondContact O-N 3.22Å; N83-A86 PolarHBondContact OD1-N 3.33Å; N83-G87 WeakPolarHBondContact O-CA 3.39Å; N83-G87 PolarHBondContact O-N 3.47Å; N83-V90 WeakPolarHBondContact O-CG2 3.04Å
84P84.3Confident84.3Confident108 Ų10847.6 Ų47.670%0.70124%0.236SC*.THydrogen-bonded Turntrans-67.1-11.4-17026.2-35.8000114.3
85V85.4Confident82.1Confident89 Ų8949.7 Ų49.754%0.53925%0.247SC..THydrogen-bonded Turntrans-106.9-45.6-179.1-177.80000111.3P55 N83P55-V85 HydrophobicContact CB-CG1 3.77Å; P55-V85 HydrophobicContact CG-CG1 3.61Å; N83-V85 PolarHBondContact O-N 3.22Å; N83-V85 WeakPolarHBondContact OD1-CB 3.38Å; N83-V85 PolarHBondContact OD1-N 3.06Å
86A85.6Confident79.7Confident4 Ų446.8 Ų46.83%0.03324%0.235CC..THydrogen-bonded Turntrans-131.37.4-168.700000114.7M57 N83 R91M57-A86 HydrophobicContact CB-CB 4.44Å; M57-A86 VanDerWaalsContact CE-C 3.41Å; M57-A86 HydrophobicContact CE-CB 3.63Å; M57-A86 VanDerWaalsContact CE-O 3.31Å; M57-A86 WeakPolarHBondContact CE-O 3.21Å; N83-A86 PolarHBondContact O-N 3.22Å; N83-A86 PolarHBondContact OD1-N 3.33Å; A86-R91 PolarHBondContact O-NE 3.38Å; A86-R91 PolarHBondContact O-NH2 3.25Å
87G87.3Confident77.2Confident0 Ų051 Ų510%027%0.27CS..  trans-61.2149.9177.100000112.4V80 L81 N83 Y89 V90 R91V80-G87 CarbonylContact O-C 3.54Å; V80-G87 WeakPolarHBondContact O-CA 3.48Å; L81-G87 CarbonylContact O-C 3.59Å; N83-G87 WeakPolarHBondContact O-CA 3.39Å; N83-G87 PolarHBondContact O-N 3.47Å; G87-Y89 PolarHBondContact O-N 3.27Å; G87-V90 PolarHBondContact O-N 3.06Å; G87-V90 VanDerWaalsContact O-N 3.16Å; G87-R91 PolarHBondContact O-N 3.32Å; G87-R91 VanDerWaalsContact O-N 3.12Å
88Y85.3Confident74.7Confident3 Ų360 Ų601%0.01231%0.313CS..Hα-helixtrans-53.4-52.5177.7179.7-104.6000111.4V80 L81 V90 R91 K92 M94 D100 A347 D348V80-Y88 WeakPolarHBondContact O-CB 3.29Å; V80-Y88 PolarHBondContact O-N 3.27Å; L81-Y88 HydrophobicContact CD2-CD1 4.09Å; L81-Y88 HydrophobicContact CD2-CG 4.37Å; L81-Y88 PolarHBondContact O-N 2.81Å; L81-Y88 VanDerWaalsContact O-N 3.16Å; Y88-V90 PolarHBondContact O-N 3.38Å; Y88-R91 PolarHBondContact O-N 3.42Å; Y88-K92 PolarHBondContact O-N 2.95Å; Y88-M94 HydrophobicContact CD1-CE 4.3Å; Y88-M94 HydrophobicContact CD1-SD 3.33Å; Y88-M94 WeakPolarHBondContact CD1-SD 3.46Å; Y88-M94 HydrophobicContact CD2-CE 3.95Å; Y88-M94 HydrophobicContact CD2-SD 3.75Å; Y88-M94 HydrophobicContact CE1-CE 3.65Å; Y88-M94 HydrophobicContact CE1-CG 4.48Å; Y88-M94 HydrophobicContact CE1-SD 3.09Å; Y88-M94 WeakPolarHBondContact CE1-SD 3.5Å; Y88-M94 HydrophobicContact CE2-CE 3.23Å; Y88-M94 HydrophobicContact CE2-SD 3.55Å; Y88-M94 VanDerWaalsContact CE2-SD 3.55Å; Y88-M94 HydrophobicContact CG-CE 4.42Å; Y88-M94 HydrophobicContact CG-SD 3.63Å; Y88-M94 WeakPolarHBondContact OH-CE 3.37Å; Y88-D100 WeakPolarHBondContact CE2-OD2 3.42Å; Y88-D100 VanDerWaalsContact OH-CB 3.26Å; Y88-D100 WeakPolarHBondContact OH-CB 3.41Å; Y88-D100 VanDerWaalsContact OH-CG 3.26Å; Y88-D100 PolarHBondContact OH-OD2 2.95Å; Y88-A347 VanDerWaalsContact CD2-C 3.45Å; Y88-A347 WeakPolarHBondContact CD2-O 3.34Å; Y88-D348 HydrophobicContact CD1-CB 4.33Å; Y88-D348 HydrophobicContact CE1-CB 3.47Å; Y88-D348 VanDerWaalsContact CE1-CB 3.47Å; Y88-D348 WeakPolarHBondContact CE1-OD1 3.19Å; Y88-D348 HydrophobicContact CE2-CB 4.26Å; Y88-D348 VanDerWaalsContact CE2-N 3.28Å; Y88-D348 VanDerWaalsContact CZ-CB 3.44Å; Y88-D348 WeakPolarHBondContact OH-CB 3.18Å
89Y78.9Confident73Confident60 Ų6054.4 Ų54.424%0.23529%0.293CS..Hα-helixtrans-73.8-5.6-179.6-60-51.2000114.9L81 T82 G87 M94 S172 A237 D348L81-Y89 HydrophobicContact CB-CD2 3.99Å; L81-Y89 HydrophobicContact CB-CE2 3.87Å; L81-Y89 HydrophobicContact CD1-CE2 4.17Å; L81-Y89 HydrophobicContact CD2-CE2 4Å; L81-Y89 HydrophobicContact CG-CE2 4.24Å; L81-Y89 PolarHBondContact O-N 2.95Å; T82-Y89 HydrophobicContact CG2-CD2 4.3Å; G87-Y89 PolarHBondContact O-N 3.27Å; Y89-M94 HydrophobicContact CD1-SD 4.37Å; Y89-S172 PolarHBondContact O-OG 3.18Å; Y89-A237 HydrophobicContact CE2-CB 4.4Å; Y89-D348 PolarHBondContact OH-OD1 2.91Å
90V77.4Confident71.2Confident53 Ų5353.1 Ų53.132%0.32129%0.287SS..Hα-helixtrans-95.5-40.8177.3178.50000111.4N83 G87 Y88N83-V90 WeakPolarHBondContact O-CG2 3.04Å; G87-V90 PolarHBondContact O-N 3.06Å; G87-V90 VanDerWaalsContact O-N 3.16Å; Y88-V90 PolarHBondContact O-N 3.38Å
91R71.1Confident69.7Low114 Ų11455.1 Ų55.143%0.4330%0.296SS..Hα-helixtrans-88.9-27.2-169.9-72-168.2-65.6-173.86115.2P55 A86 G87 Y88 G345P55-R91 PolarHBondContact O-NH1 3.15Å; A86-R91 PolarHBondContact O-NE 3.38Å; A86-R91 PolarHBondContact O-NH2 3.25Å; G87-R91 PolarHBondContact O-N 3.32Å; G87-R91 VanDerWaalsContact O-N 3.12Å; Y88-R91 PolarHBondContact O-N 3.42Å; R91-G345 PolarHBondContact NH2-O 2.82Å
92K61.5Low69.1Low87 Ų8758.6 Ų58.638%0.37831%0.314SS..SBendtrans-118.4141.4-169.5-166.1170.8151.6-159.30109.1Y88 M94 D100Y88-K92 PolarHBondContact O-N 2.95Å; K92-M94 VanDerWaalsContact C-CG 3.5Å; K92-M94 HydrophobicContact CB-CE 3.52Å; K92-M94 HydrophobicContact CB-CG 3.92Å; K92-M94 HydrophobicContact CB-SD 3.72Å; K92-M94 HydrophobicContact CD-CE 3.23Å; K92-M94 HydrophobicContact CD-SD 4.49Å; K92-M94 VanDerWaalsContact CE-CE 3.45Å; K92-M94 HydrophobicContact CG-CE 3.43Å; K92-M94 VanDerWaalsContact CG-CE 3.43Å; K92-M94 HydrophobicContact CG-CG 4.38Å; K92-M94 HydrophobicContact CG-SD 4.3Å; K92-M94 WeakPolarHBondContact O-CG 3.29Å; K92-M94 PolarHBondContact O-N 3.5Å; K92-D100 VanDerWaalsContact NZ-CG 3.34Å; K92-D100 IonicContact NZ-OD1 3.42Å; K92-D100 PolarHBondContact NZ-OD1 3.3Å; K92-D100 IonicContact NZ-OD2 3.48Å; K92-D100 PolarHBondContact NZ-OD2 3.45Å
93M53.7Low68.9Low143 Ų14356.8 Ų56.870%0.70430%0.302SS*.  trans-78.5110.6164.9-90.9-173.1164.100106.9V174 V178M93-V174 HydrophobicContact CE-CG1 3.91Å; M93-V174 HydrophobicContact CG-CG1 4.08Å; M93-V178 HydrophobicContact CE-CG2 4.19Å
94M57.5Low68.9Low13 Ų1355.8 Ų55.86%0.06430%0.297CS..  trans-108.9-1.2-153.4-54.7-122.967.800115.8Y88 Y89 K92 G99Y88-M94 HydrophobicContact CD1-CE 4.3Å; Y88-M94 HydrophobicContact CD1-SD 3.33Å; Y88-M94 WeakPolarHBondContact CD1-SD 3.46Å; Y88-M94 HydrophobicContact CD2-CE 3.95Å; Y88-M94 HydrophobicContact CD2-SD 3.75Å; Y88-M94 HydrophobicContact CE1-CE 3.65Å; Y88-M94 HydrophobicContact CE1-CG 4.48Å; Y88-M94 HydrophobicContact CE1-SD 3.09Å; Y88-M94 WeakPolarHBondContact CE1-SD 3.5Å; Y88-M94 HydrophobicContact CE2-CE 3.23Å; Y88-M94 HydrophobicContact CE2-SD 3.55Å; Y88-M94 VanDerWaalsContact CE2-SD 3.55Å; Y88-M94 HydrophobicContact CG-CE 4.42Å; Y88-M94 HydrophobicContact CG-SD 3.63Å; Y88-M94 WeakPolarHBondContact OH-CE 3.37Å; Y89-M94 HydrophobicContact CD1-SD 4.37Å; K92-M94 VanDerWaalsContact C-CG 3.5Å; K92-M94 HydrophobicContact CB-CE 3.52Å; K92-M94 HydrophobicContact CB-CG 3.92Å; K92-M94 HydrophobicContact CB-SD 3.72Å; K92-M94 HydrophobicContact CD-CE 3.23Å; K92-M94 HydrophobicContact CD-SD 4.49Å; K92-M94 VanDerWaalsContact CE-CE 3.45Å; K92-M94 HydrophobicContact CG-CE 3.43Å; K92-M94 VanDerWaalsContact CG-CE 3.43Å; K92-M94 HydrophobicContact CG-CG 4.38Å; K92-M94 HydrophobicContact CG-SD 4.3Å; K92-M94 WeakPolarHBondContact O-CG 3.29Å; K92-M94 PolarHBondContact O-N 3.5Å; M94-G99 WeakPolarHBondContact O-CA 3.34Å
95L50.6Low69.3Low52 Ų5251.3 Ų51.327%0.27227%0.268SS..BIsolated β-bridgetrans-120.7135.1-168.8-61.9172.1000111G140 K141 L175L95-G140 VanDerWaalsContact CD1-CA 3.41Å; L95-K141 VanDerWaalsContact C-NZ 3.28Å; L95-K141 HydrophobicContact CB-CD 4.12Å; L95-K141 HydrophobicContact CB-CG 3.8Å; L95-K141 HydrophobicContact CD1-CG 3.92Å; L95-K141 WeakPolarHBondContact O-CE 3.45Å; L95-K141 PolarHBondContact O-NZ 2.94Å; L95-L175 HydrophobicContact CD1-CD2 3.87Å
96G47.2Very low69.6Low10 Ų1049.7 Ų49.710%0.10326%0.255CS..SBendtrans120.5-170.4177.500000114.1E98 G99G96-E98 PolarHBondContact O-N 2.88Å; G96-E98 VanDerWaalsContact O-N 3.1Å; G96-G99 PolarHBondContact O-N 3.48Å
97A45.7Very low69.9Low89 Ų8951 Ų5174%0.73626%0.26SS*.THydrogen-bonded Turntrans-60.4-21-17800000114.2
98E46.2Very low70.1Confident191 Ų19151.3 Ų51.389%0.89326%0.263SS*.THydrogen-bonded Turntrans-101.80.3174.2-58.2-163.6161.700113.5G96G96-E98 PolarHBondContact O-N 2.88Å; G96-E98 VanDerWaalsContact O-N 3.1Å
99G58.2Low70.5Confident4 Ų452.8 Ų52.84%0.04127%0.27CS..SBendtrans-78.6174.7173.600000112.7M94 G96 F101 H335M94-G99 WeakPolarHBondContact O-CA 3.34Å; G96-G99 PolarHBondContact O-N 3.48Å; G99-F101 VanDerWaalsContact C-N 3.31Å; G99-H335 PolarHBondContact O-CE1 3.26Å; G99-H335 VanDerWaalsContact O-CE1 3.3Å; G99-H335 PolarHBondContact O-NE2 3.22Å
100D57.4Low71.3Confident7 Ų750 Ų504%0.03726%0.259CS..SBendtrans-80.9-15.7176.2-65.5-45.6000112.2Y88 K92 G334 H335Y88-D100 WeakPolarHBondContact CE2-OD2 3.42Å; Y88-D100 VanDerWaalsContact OH-CB 3.26Å; Y88-D100 WeakPolarHBondContact OH-CB 3.41Å; Y88-D100 VanDerWaalsContact OH-CG 3.26Å; Y88-D100 PolarHBondContact OH-OD2 2.95Å; K92-D100 VanDerWaalsContact NZ-CG 3.34Å; K92-D100 IonicContact NZ-OD1 3.42Å; K92-D100 PolarHBondContact NZ-OD1 3.3Å; K92-D100 IonicContact NZ-OD2 3.48Å; K92-D100 PolarHBondContact NZ-OD2 3.45Å; D100-G334 PolarHBondContact OD1-N 2.58Å; D100-H335 PolarHBondContact O-CD2 2.73Å
101F62.6Low72.2Confident43 Ų4347.5 Ų47.519%0.18924%0.244CC..BIsolated β-bridgetrans-141.7152.7176.1-70.6-75.6000114.1G99 F332 D348G99-F101 VanDerWaalsContact C-N 3.31Å; F101-F332 HydrophobicContact CE1-CB 4.05Å; F101-F332 AromaticContact CE1-CD1 3.89Å; F101-F332 HydrophobicContact CE1-CD1 3.89Å; F101-F332 AromaticContact CE1-CD2 3.94Å; F101-F332 HydrophobicContact CE1-CD2 3.94Å; F101-F332 HydrophobicContact CE1-CE1 4.25Å; F101-F332 HydrophobicContact CE1-CE2 4.22Å; F101-F332 AromaticContact CE1-CG 3.71Å; F101-F332 HydrophobicContact CE1-CG 3.71Å; F101-F332 HydrophobicContact CE1-CZ 4.38Å; F101-F332 HydrophobicContact CE2-CB 3.63Å; F101-F332 HydrophobicContact CE2-CD2 4.1Å; F101-F332 HydrophobicContact CE2-CG 4.02Å; F101-F332 HydrophobicContact CZ-CB 3.34Å; F101-F332 AromaticContact CZ-CD1 3.89Å; F101-F332 HydrophobicContact CZ-CD1 3.89Å; F101-F332 AromaticContact CZ-CD2 3.21Å; F101-F332 HydrophobicContact CZ-CD2 3.21Å; F101-F332 HydrophobicContact CZ-CE1 4.44Å; F101-F332 AromaticContact CZ-CE2 3.8Å; F101-F332 HydrophobicContact CZ-CE2 3.8Å; F101-F332 AromaticContact CZ-CG 3.2Å; F101-F332 HydrophobicContact CZ-CG 3.2Å; F101-F332 HydrophobicContact CZ-CZ 4.39Å; F101-D348 HydrophobicContact CD2-CB 4.18Å; F101-D348 WeakPolarHBondContact CD2-OD2 3.44Å; F101-D348 HydrophobicContact CE2-CB 3.66Å; F101-D348 WeakPolarHBondContact CE2-OD2 3.45Å
102I76.8Confident73.5Confident75 Ų7542 Ų4239%0.38522%0.223SC..  trans-115.3115169-53.5177.6000107.6E106 I107I102-E106 HydrophobicContact CG2-CB 3.85Å; I102-I107 HydrophobicContact CG2-CG1 3.68Å
103T84.8Confident75.2Confident27 Ų2737.9 Ų37.917%0.16621%0.205CC..  trans-85.2163.4-177.660.60000112.2E106 I107 E233T103-E106 WeakPolarHBondContact O-CB 3.35Å; T103-E106 PolarHBondContact O-N 3.47Å; T103-E106 WeakPolarHBondContact OG1-CG 3.33Å; T103-I107 WeakPolarHBondContact O-CG1 3.3Å; T103-I107 PolarHBondContact O-N 2.89Å; T103-I107 VanDerWaalsContact O-N 3.15Å; T103-E233 WeakPolarHBondContact CA-OE1 3.33Å; T103-E233 WeakPolarHBondContact CB-OE1 3.32Å
104S90.3Very high77.3Confident0 Ų031.1 Ų31.10%017%0.172CC..Hα-helixtrans-52.8-43.8-176.9-62.30000115.1E106 I107 S108 E233 M416S104-E106 VanDerWaalsContact C-N 3.26Å; S104-E106 PolarHBondContact O-N 3.09Å; S104-I107 PolarHBondContact O-N 3.19Å; S104-S108 PolarHBondContact O-N 3.46Å; S104-E233 PolarHBondContact N-OE1 3.01Å; S104-M416 WeakPolarHBondContact OG-CE 3.5Å
105P92.5Very high79.2Confident13 Ų1330.5 Ų30.58%0.08417%0.169CC..Hα-helixtrans-62-30.5175.4-23.633.2000113.7F111 L144 H232P105-F111 HydrophobicContact CG-CD1 3.97Å; P105-F111 HydrophobicContact CG-CE1 4.09Å; P105-L144 HydrophobicContact CB-CB 4.03Å; P105-L144 HydrophobicContact CG-CB 3.75Å; P105-L144 HydrophobicContact CG-CD1 4.44Å; P105-L144 HydrophobicContact CG-CD2 4.46Å; P105-L144 HydrophobicContact CG-CG 4.44Å; P105-H232 WeakPolarHBondContact CD-CE1 3.36Å
106E90.6Very high81.5Confident56 Ų5628 Ų2826%0.26216%0.156SC..Hα-helixtrans-79.2-23.7178.4-57.5-69.3119.700112.1I102 T103 S104 K141 S143I102-E106 HydrophobicContact CG2-CB 3.85Å; T103-E106 WeakPolarHBondContact O-CB 3.35Å; T103-E106 PolarHBondContact O-N 3.47Å; T103-E106 WeakPolarHBondContact OG1-CG 3.33Å; S104-E106 VanDerWaalsContact C-N 3.26Å; S104-E106 PolarHBondContact O-N 3.09Å; E106-K141 WeakPolarHBondContact OE2-CD 3.27Å; E106-K141 IonicContact OE2-NZ 3.29Å; E106-K141 PolarHBondContact OE2-NZ 3.23Å; E106-S143 WeakPolarHBondContact OE1-CB 3.16Å; E106-S143 PolarHBondContact OE1-OG 3.27Å
107I91.4Very high83.8Confident30 Ų3027.5 Ų27.515%0.15415%0.151CC..Hα-helixtrans-75.2-47.3178-66.7170.7000110.8I102 T103 S104 S406 L409 L410 M416I102-I107 HydrophobicContact CG2-CG1 3.68Å; T103-I107 WeakPolarHBondContact O-CG1 3.3Å; T103-I107 PolarHBondContact O-N 2.89Å; T103-I107 VanDerWaalsContact O-N 3.15Å; S104-I107 PolarHBondContact O-N 3.19Å; I107-S406 WeakPolarHBondContact CG2-O 3.37Å; I107-S406 VanDerWaalsContact O-CB 3.27Å; I107-S406 WeakPolarHBondContact O-CB 3.42Å; I107-S406 PolarHBondContact O-OG 3.42Å; I107-L409 HydrophobicContact CG2-CB 4.14Å; I107-L409 HydrophobicContact CG2-CD1 4.21Å; I107-L410 HydrophobicContact CB-CD2 4.19Å; I107-L410 HydrophobicContact CD1-CD2 4.2Å; I107-L410 HydrophobicContact CG2-CD2 4.15Å; I107-L410 HydrophobicContact CG2-CG 4.04Å; I107-M416 HydrophobicContact CD1-CE 4.11Å; I107-M416 HydrophobicContact CD1-SD 3.31Å; I107-M416 WeakPolarHBondContact CD1-SD 3.32Å
108S93.3Very high86.3Confident8 Ų824 Ų246%0.05612%0.119CC..  trans-153.8132-176.7-169.20000113.4S104 V110 F111S104-S108 PolarHBondContact O-N 3.46Å; S108-V110 PolarHBondContact O-N 3.08Å; S108-V110 PolarHBondContact OG-N 3.38Å; S108-F111 WeakPolarHBondContact O-CB 3.47Å; S108-F111 PolarHBondContact O-N 2.84Å
109Q92.8Very high88.8Confident34 Ų3415 Ų1516%0.1598%0.076CC..Hα-helixtrans-55.1-24.3170.671177.948.500113.5F111 G112 E113 D147Q109-F111 PolarHBondContact O-N 3.23Å; Q109-G112 PolarHBondContact O-N 2.83Å; Q109-E113 PolarHBondContact NE2-OE1 2.91Å; Q109-E113 VanDerWaalsContact NE2-OE1 3.16Å; Q109-E113 WeakPolarHBondContact O-CB 3.44Å; Q109-E113 WeakPolarHBondContact O-CG 3.21Å; Q109-E113 PolarHBondContact O-N 2.97Å; Q109-D147 WeakPolarHBondContact CA-OD2 3.43Å
110V95.4Very high90.6Very high1 Ų114.8 Ų14.81%0.0067%0.074CC..Hα-helixtrans-60.7-33.2178.8175.60000110.5S108 L114 R386 L390 Y407S108-V110 PolarHBondContact O-N 3.08Å; S108-V110 PolarHBondContact OG-N 3.38Å; V110-L114 HydrophobicContact CG1-CD1 3.7Å; V110-L114 HydrophobicContact CG1-CG 4.19Å; V110-L114 WeakPolarHBondContact O-CB 3.39Å; V110-L114 WeakPolarHBondContact O-CD1 3.47Å; V110-L114 WeakPolarHBondContact O-CG 3.43Å; V110-L114 PolarHBondContact O-N 2.91Å; V110-R386 HydrophobicContact CG1-CG 4.34Å; V110-R386 HydrophobicContact CG2-CG 4.32Å; V110-L390 HydrophobicContact CG2-CD1 3.47Å; V110-L390 VanDerWaalsContact CG2-CD1 3.47Å; V110-Y407 HydrophobicContact CG1-CD2 4.09Å; V110-Y407 HydrophobicContact CG1-CE2 4.03Å
111F97.4Very high92.4Very high0 Ų015.2 Ų15.20%08%0.078CC..Hα-helixtrans-61.2-58.3177.7-174-94.7000111.2P105 S108 Q109 E113 L114 L115 L144 H232 L378 L410 F422P105-F111 HydrophobicContact CG-CD1 3.97Å; P105-F111 HydrophobicContact CG-CE1 4.09Å; S108-F111 WeakPolarHBondContact O-CB 3.47Å; S108-F111 PolarHBondContact O-N 2.84Å; Q109-F111 PolarHBondContact O-N 3.23Å; F111-E113 VanDerWaalsContact C-N 3.3Å; F111-E113 PolarHBondContact O-N 2.99Å; F111-L114 PolarHBondContact O-N 2.88Å; F111-L115 HydrophobicContact CD1-CD1 4.34Å; F111-L115 HydrophobicContact CD1-CD2 4.35Å; F111-L115 HydrophobicContact CE1-CD1 4.14Å; F111-L115 HydrophobicContact CE1-CD2 3.68Å; F111-L115 HydrophobicContact CE2-CD1 4.34Å; F111-L115 HydrophobicContact CZ-CD1 4.13Å; F111-L115 HydrophobicContact CZ-CD2 4.07Å; F111-L115 WeakPolarHBondContact O-CD1 3.36Å; F111-L115 PolarHBondContact O-N 3.33Å; F111-L115 VanDerWaalsContact O-N 3.09Å; F111-L144 HydrophobicContact CD1-CD1 4.22Å; F111-L144 HydrophobicContact CE1-CD1 4.31Å; F111-H232 AromaticContact CZ-CD2 3.64Å; F111-H232 AromaticContact CZ-NE2 3.69Å; F111-L378 HydrophobicContact CD2-CD1 4.21Å; F111-L378 HydrophobicContact CD2-CD2 3.92Å; F111-L378 HydrophobicContact CE2-CD2 4.29Å; F111-L410 HydrophobicContact CB-CD1 4Å; F111-L410 HydrophobicContact CD2-CD1 4.47Å; F111-F422 AromaticContact CE2-CZ 3.79Å; F111-F422 HydrophobicContact CE2-CZ 3.79Å; F111-F422 AromaticContact CZ-CZ 3.91Å; F111-F422 HydrophobicContact CZ-CZ 3.91Å
112G97.2Very high93.9Very high0 Ų014.2 Ų14.20%07%0.074CC..Hα-helixtrans-64.2-34.7-179.300000113.2Q109 L114 L115 G116Q109-G112 PolarHBondContact O-N 2.83Å; G112-L114 PolarHBondContact O-N 2.91Å; G112-L115 PolarHBondContact O-N 2.87Å; G112-G116 PolarHBondContact O-N 2.68Å
113E97.4Very high94.7Very high0 Ų010.8 Ų10.80%06%0.056CC..Hα-helixtrans-60.4-45.4173.9-77.2174.2174.500112.8F14 Q109 F111 G116 V117 R150 V151 R386F14-E113 HydrophobicContact CE1-CG 4.18Å; F14-E113 HydrophobicContact CZ-CB 3.84Å; F14-E113 HydrophobicContact CZ-CG 3.77Å; Q109-E113 PolarHBondContact NE2-OE1 2.91Å; Q109-E113 VanDerWaalsContact NE2-OE1 3.16Å; Q109-E113 WeakPolarHBondContact O-CB 3.44Å; Q109-E113 WeakPolarHBondContact O-CG 3.21Å; Q109-E113 PolarHBondContact O-N 2.97Å; F111-E113 VanDerWaalsContact C-N 3.3Å; F111-E113 PolarHBondContact O-N 2.99Å; E113-G116 PolarHBondContact O-N 3.1Å; E113-V117 WeakPolarHBondContact O-CG2 3.29Å; E113-V117 PolarHBondContact O-N 2.86Å; E113-R150 IonicContact OE1-CZ 3.42Å; E113-R150 VanDerWaalsContact OE1-CZ 3.27Å; E113-R150 IonicContact OE1-NH1 3.71Å; E113-R150 PolarHBondContact OE1-NH1 3.38Å; E113-R150 IonicContact OE1-NH2 3.86Å; E113-R150 PolarHBondContact OE1-NH2 3.16Å; E113-V151 HydrophobicContact CB-CG2 4.08Å; E113-V151 HydrophobicContact CG-CG2 3.99Å; E113-R386 IonicContact OE1-CZ 3.64Å; E113-R386 IonicContact OE1-NE 2.67Å; E113-R386 IonicContact OE1-NH2 3.23Å; E113-R386 PolarHBondContact OE1-NH2 2.97Å; E113-R386 IonicContact OE2-CZ 3.92Å; E113-R386 IonicContact OE2-NE 2.83Å; E113-R386 PolarHBondContact OE2-NE 3.41Å; E113-R386 IonicContact OE2-NH2 2.68Å; E113-R386 PolarHBondContact OE2-NH2 3.23Å
114L97.6Very high95.1Very high0 Ų010.9 Ų10.90%06%0.055CC..Hα-helixtrans-68.6-37.9179.6-68.6169000111.7L10 V110 F111 G112 V117 W118 L378 M381L10-L114 HydrophobicContact CD1-CD2 4.4Å; L10-L114 HydrophobicContact CD2-CD2 4Å; V110-L114 HydrophobicContact CG1-CD1 3.7Å; V110-L114 HydrophobicContact CG1-CG 4.19Å; V110-L114 WeakPolarHBondContact O-CB 3.39Å; V110-L114 WeakPolarHBondContact O-CD1 3.47Å; V110-L114 WeakPolarHBondContact O-CG 3.43Å; V110-L114 PolarHBondContact O-N 2.91Å; F111-L114 PolarHBondContact O-N 2.88Å; G112-L114 PolarHBondContact O-N 2.91Å; L114-V117 PolarHBondContact O-N 2.98Å; L114-W118 PolarHBondContact O-N 3.34Å; L114-L378 HydrophobicContact CB-CD2 4.43Å; L114-L378 HydrophobicContact CD1-CB 4.16Å; L114-L378 HydrophobicContact CD1-CD2 3.77Å; L114-M381 HydrophobicContact CB-CB 4.21Å; L114-M381 HydrophobicContact CD2-CB 3.95Å; L114-M381 WeakPolarHBondContact CD2-O 3.47Å
115L98.2Very high95.2Very high0 Ų013.2 Ų13.20%07%0.074CC..Hα-helixtrans-65.7-40.6174-90.165.6000111.1F111 G112 V117 W118 M119 L144 V230 L315 F377 F422F111-L115 HydrophobicContact CD1-CD1 4.34Å; F111-L115 HydrophobicContact CD1-CD2 4.35Å; F111-L115 HydrophobicContact CE1-CD1 4.14Å; F111-L115 HydrophobicContact CE1-CD2 3.68Å; F111-L115 HydrophobicContact CE2-CD1 4.34Å; F111-L115 HydrophobicContact CZ-CD1 4.13Å; F111-L115 HydrophobicContact CZ-CD2 4.07Å; F111-L115 WeakPolarHBondContact O-CD1 3.36Å; F111-L115 PolarHBondContact O-N 3.33Å; F111-L115 VanDerWaalsContact O-N 3.09Å; G112-L115 PolarHBondContact O-N 2.87Å; L115-V117 VanDerWaalsContact C-N 3.32Å; L115-V117 PolarHBondContact O-N 2.73Å; L115-W118 WeakPolarHBondContact O-CB 3.32Å; L115-W118 PolarHBondContact O-N 2.9Å; L115-W118 VanDerWaalsContact O-N 3.12Å; L115-M119 WeakPolarHBondContact O-CG 3.31Å; L115-M119 PolarHBondContact O-N 3.12Å; L115-L144 HydrophobicContact CB-CD1 4.27Å; L115-L144 HydrophobicContact CD2-CD1 3.85Å; L115-L144 HydrophobicContact CD2-CD2 4.07Å; L115-V230 HydrophobicContact CD2-CG1 4.32Å; L115-L315 HydrophobicContact CG-CD2 4.22Å; L115-F377 HydrophobicContact CD1-CE1 3.99Å; L115-F422 HydrophobicContact CD1-CE1 4.34Å
116G97.7Very high95.1Very high0 Ų014.7 Ų14.70%09%0.087CC..Hα-helixtrans-59.3-41.8173.300000112.5G112 E113 M119 V120G112-G116 PolarHBondContact O-N 2.68Å; E113-G116 PolarHBondContact O-N 3.1Å; G116-M119 PolarHBondContact O-N 2.93Å; G116-V120 WeakPolarHBondContact O-CG2 3.29Å; G116-V120 PolarHBondContact O-N 2.85Å
117V97Very high95.1Very high0 Ų015 Ų150%011%0.105CC..Hα-helixtrans-65.2-39.6173.7171.10000112C6 L9 L10 E113 L114 L115 V120 S121 V151 M381C6-V117 HydrophobicContact CB-CG1 4.34Å; L9-V117 HydrophobicContact CB-CG1 3.82Å; L9-V117 HydrophobicContact CD1-CG1 4.17Å; L10-V117 HydrophobicContact CD2-CG2 3.89Å; L10-V117 HydrophobicContact CG-CG1 4.43Å; L10-V117 HydrophobicContact CG-CG2 4.46Å; E113-V117 WeakPolarHBondContact O-CG2 3.29Å; E113-V117 PolarHBondContact O-N 2.86Å; L114-V117 PolarHBondContact O-N 2.98Å; L115-V117 VanDerWaalsContact C-N 3.32Å; L115-V117 PolarHBondContact O-N 2.73Å; V117-V120 PolarHBondContact O-N 3.42Å; V117-S121 WeakPolarHBondContact O-CB 3.26Å; V117-S121 PolarHBondContact O-N 3.22Å; V117-V151 HydrophobicContact CG2-CG1 4.02Å; V117-M381 HydrophobicContact CB-CE 4.26Å; V117-M381 HydrophobicContact CG1-CE 3.88Å
118W97.7Very high95.3Very high16 Ų1619.8 Ų19.86%0.06112%0.122CC..Hα-helixtrans-59.3-46.2174.3174.484.5000111.1L114 L115 V120 S121 E122 I228 V230 A313 L315 F377 M381L114-W118 PolarHBondContact O-N 3.34Å; L115-W118 WeakPolarHBondContact O-CB 3.32Å; L115-W118 PolarHBondContact O-N 2.9Å; L115-W118 VanDerWaalsContact O-N 3.12Å; W118-V120 PolarHBondContact O-N 3.39Å; W118-S121 WeakPolarHBondContact O-CB 3.37Å; W118-S121 PolarHBondContact O-N 3.29Å; W118-E122 HydrophobicContact CD2-CG 4.2Å; W118-E122 HydrophobicContact CH2-CG 4.25Å; W118-E122 HydrophobicContact CZ2-CG 3.66Å; W118-E122 PolarHBondContact O-N 2.93Å; W118-I228 HydrophobicContact CE3-CG2 4.42Å; W118-I228 HydrophobicContact CH2-CG2 3.93Å; W118-I228 HydrophobicContact CZ3-CG2 3.47Å; W118-I228 VanDerWaalsContact CZ3-CG2 3.47Å; W118-V230 HydrophobicContact CZ3-CG2 4.29Å; W118-A313 HydrophobicContact CH2-CB 4Å; W118-A313 HydrophobicContact CZ2-CB 4.26Å; W118-L315 HydrophobicContact CD2-CD2 4.05Å; W118-L315 HydrophobicContact CE3-CB 4.31Å; W118-L315 HydrophobicContact CE3-CD2 3.97Å; W118-L315 HydrophobicContact CH2-CB 3.56Å; W118-L315 HydrophobicContact CH2-CG 4.49Å; W118-L315 HydrophobicContact CZ2-CB 3.99Å; W118-L315 HydrophobicContact CZ2-CD1 4.25Å; W118-L315 HydrophobicContact CZ3-CB 3.72Å; W118-L315 HydrophobicContact CZ3-CD2 4.23Å; W118-F377 HydrophobicContact CB-CZ 4.33Å; W118-F377 AromaticContact CD1-CZ 3.87Å; W118-F377 HydrophobicContact CG-CZ 4.01Å; W118-M381 HydrophobicContact CB-CE 3.65Å; W118-M381 HydrophobicContact CB-SD 4.12Å
119M97.9Very high95.3Very high1 Ų121 Ų211%0.00513%0.13CC..Hα-helixtrans-60-46.8177.4-64.6175.7176.500112.2L115 G116 S121 E122 W123 L134 V148 F152 I228 V230L115-M119 WeakPolarHBondContact O-CG 3.31Å; L115-M119 PolarHBondContact O-N 3.12Å; G116-M119 PolarHBondContact O-N 2.93Å; M119-S121 VanDerWaalsContact C-N 3.29Å; M119-S121 PolarHBondContact O-N 3.41Å; M119-E122 PolarHBondContact O-N 3.47Å; M119-W123 PolarHBondContact O-N 2.78Å; M119-L134 HydrophobicContact SD-CD2 3.98Å; M119-V148 HydrophobicContact CE-CG1 4.24Å; M119-V148 HydrophobicContact CE-CG2 3.98Å; M119-V148 HydrophobicContact SD-CB 4.42Å; M119-V148 HydrophobicContact SD-CG1 3.44Å; M119-V148 WeakPolarHBondContact SD-CG1 3.28Å; M119-V148 HydrophobicContact SD-CG2 4.05Å; M119-F152 HydrophobicContact CB-CE2 4.17Å; M119-F152 HydrophobicContact CB-CZ 4.23Å; M119-F152 HydrophobicContact SD-CE2 4.42Å; M119-I228 HydrophobicContact CB-CD1 4.11Å; M119-I228 HydrophobicContact CB-CG2 4.24Å; M119-I228 HydrophobicContact CG-CG2 3.8Å; M119-I228 WeakPolarHBondContact O-CD1 3.34Å; M119-V230 HydrophobicContact CE-CB 4.17Å; M119-V230 HydrophobicContact CE-CG2 3.29Å
120V96.4Very high95.5Very high0 Ų021.6 Ų21.60%014%0.144CC..Hα-helixtrans-61.3-41.1177.3174.20000110.9L9 G116 V117 W118 W123 M124 F152 L155 V158 V159L9-V120 HydrophobicContact CD1-CB 4.35Å; L9-V120 HydrophobicContact CD1-CG1 4Å; L9-V120 HydrophobicContact CD2-CG1 3.97Å; G116-V120 WeakPolarHBondContact O-CG2 3.29Å; G116-V120 PolarHBondContact O-N 2.85Å; V117-V120 PolarHBondContact O-N 3.42Å; W118-V120 PolarHBondContact O-N 3.39Å; V120-W123 PolarHBondContact O-N 3.35Å; V120-M124 HydrophobicContact CG1-CG 4.35Å; V120-M124 HydrophobicContact CG1-SD 4Å; V120-M124 WeakPolarHBondContact O-CB 3.44Å; V120-M124 VanDerWaalsContact O-CG 3.25Å; V120-M124 WeakPolarHBondContact O-CG 3.33Å; V120-M124 PolarHBondContact O-N 3.03Å; V120-F152 HydrophobicContact CG2-CD2 4.06Å; V120-F152 HydrophobicContact CG2-CE1 4.19Å; V120-F152 HydrophobicContact CG2-CE2 3.61Å; V120-F152 HydrophobicContact CG2-CZ 3.68Å; V120-L155 HydrophobicContact CB-CD1 4.48Å; V120-L155 HydrophobicContact CG1-CD1 4.28Å; V120-L155 HydrophobicContact CG2-CD1 4.16Å; V120-V158 HydrophobicContact CG1-CG1 4.2Å; V120-V159 HydrophobicContact CG2-CG1 4.36Å
121S94.4Very high95.6Very high15 Ų1530.6 Ų30.611%0.10518%0.178CC..Hα-helixtrans-60.7-44.4176.4176.10000112.1V117 W118 M119 M124 A125V117-S121 WeakPolarHBondContact O-CB 3.26Å; V117-S121 PolarHBondContact O-N 3.22Å; W118-S121 WeakPolarHBondContact O-CB 3.37Å; W118-S121 PolarHBondContact O-N 3.29Å; M119-S121 VanDerWaalsContact C-N 3.29Å; M119-S121 PolarHBondContact O-N 3.41Å; S121-M124 PolarHBondContact O-N 3.36Å; S121-A125 WeakPolarHBondContact O-CB 3.3Å; S121-A125 PolarHBondContact O-N 2.87Å
122E94.3Very high95.6Very high22 Ų2230.7 Ų30.710%0.10318%0.179CC..Hα-helixtrans-68.1-40.9178.1-69.5-50.6123.400112.9W118 M119 A125 A126 I228 A313 L426 R430W118-E122 HydrophobicContact CD2-CG 4.2Å; W118-E122 HydrophobicContact CH2-CG 4.25Å; W118-E122 HydrophobicContact CZ2-CG 3.66Å; W118-E122 PolarHBondContact O-N 2.93Å; M119-E122 PolarHBondContact O-N 3.47Å; E122-A125 PolarHBondContact O-N 3.4Å; E122-A126 WeakPolarHBondContact O-CB 3.35Å; E122-A126 PolarHBondContact O-N 3.5Å; E122-I228 HydrophobicContact CB-CD1 4.14Å; E122-A313 HydrophobicContact CB-CB 4.31Å; E122-A313 HydrophobicContact CG-CB 4.32Å; E122-L426 WeakPolarHBondContact OE2-CD2 3.45Å; E122-R430 IonicContact OE1-NH2 3.07Å; E122-R430 PolarHBondContact OE1-NH2 3.38Å; E122-R430 VanDerWaalsContact OE1-NH2 3.07Å; E122-R430 IonicContact OE2-CZ 3.32Å; E122-R430 IonicContact OE2-NE 3.13Å; E122-R430 PolarHBondContact OE2-NE 2.89Å; E122-R430 VanDerWaalsContact OE2-NE 3.13Å; E122-R430 IonicContact OE2-NH2 2.68Å; E122-R430 PolarHBondContact OE2-NH2 3.25Å
123W95.2Very high95.7Very high3 Ų331.5 Ų31.51%0.01118%0.183CC..Hα-helixtrans-60.4-45.6172.8168.976.8000112M119 V120 A125 A126 R128 P129 L132 V158 V159 A162 I228M119-W123 PolarHBondContact O-N 2.78Å; V120-W123 PolarHBondContact O-N 3.35Å; W123-A125 VanDerWaalsContact C-N 3.32Å; W123-A125 PolarHBondContact O-N 3.09Å; W123-A126 PolarHBondContact O-N 3.22Å; W123-R128 HydrophobicContact CE3-CG 4.36Å; W123-R128 HydrophobicContact CH2-CB 3.76Å; W123-R128 HydrophobicContact CH2-CG 3.74Å; W123-R128 HydrophobicContact CZ2-CB 3.52Å; W123-R128 HydrophobicContact CZ2-CG 4Å; W123-R128 HydrophobicContact CZ3-CB 4.39Å; W123-R128 HydrophobicContact CZ3-CG 3.93Å; W123-R128 PolarHBondContact O-N 3.2Å; W123-R128 VanDerWaalsContact O-N 3.12Å; W123-P129 PolarHBondContact NE1-O 3.04Å; W123-L132 HydrophobicContact CB-CD1 4.44Å; W123-L132 HydrophobicContact CB-CD2 4.14Å; W123-L132 HydrophobicContact CD2-CD2 4.45Å; W123-L132 HydrophobicContact CG-CD1 4.49Å; W123-L132 HydrophobicContact CG-CD2 3.87Å; W123-V158 WeakPolarHBondContact CH2-O 3.41Å; W123-V158 HydrophobicContact CZ3-CG1 4.38Å; W123-V158 WeakPolarHBondContact CZ3-O 3.5Å; W123-V159 HydrophobicContact CE3-CG1 4.28Å; W123-V159 HydrophobicContact CZ3-CG1 4.02Å; W123-A162 HydrophobicContact CZ2-CB 3.68Å; W123-I228 HydrophobicContact CB-CD1 4Å
124M93.3Very high95.7Very high30 Ų3031.5 Ų31.515%0.14818%0.183CC..Hα-helixtrans-61.5-43.4177-75177.163.400111.8L9 V120 S121 A126 G127 R128 V158 F455L9-M124 HydrophobicContact CD1-SD 4.22Å; L9-M124 HydrophobicContact CD2-SD 3.96Å; V120-M124 HydrophobicContact CG1-CG 4.35Å; V120-M124 HydrophobicContact CG1-SD 4Å; V120-M124 WeakPolarHBondContact O-CB 3.44Å; V120-M124 VanDerWaalsContact O-CG 3.25Å; V120-M124 WeakPolarHBondContact O-CG 3.33Å; V120-M124 PolarHBondContact O-N 3.03Å; S121-M124 PolarHBondContact O-N 3.36Å; M124-A126 PolarHBondContact O-N 3.06Å; M124-G127 PolarHBondContact O-N 3.04Å; M124-R128 HydrophobicContact CG-CG 4.41Å; M124-V158 HydrophobicContact SD-CG1 3.84Å; M124-F455 HydrophobicContact CE-CE1 4.47Å; M124-F455 HydrophobicContact CE-CZ 4.11Å
125A90.6Very high95.8Very high49 Ų4931.5 Ų31.541%0.40518%0.183SC..Hα-helixtrans-76.6-12.8-176.300000113.4S121 E122 W123 G127 R430S121-A125 WeakPolarHBondContact O-CB 3.3Å; S121-A125 PolarHBondContact O-N 2.87Å; E122-A125 PolarHBondContact O-N 3.4Å; W123-A125 VanDerWaalsContact C-N 3.32Å; W123-A125 PolarHBondContact O-N 3.09Å; A125-G127 VanDerWaalsContact C-N 3.27Å; A125-R430 VanDerWaalsContact CB-NH1 3.32Å
126A90.9Very high95.8Very high44 Ų4431.8 Ų31.836%0.36418%0.184SC..THydrogen-bonded Turntrans-84.55.5165.200000113.6E122 W123 M124 F226E122-A126 WeakPolarHBondContact O-CB 3.35Å; E122-A126 PolarHBondContact O-N 3.5Å; W123-A126 PolarHBondContact O-N 3.22Å; M124-A126 PolarHBondContact O-N 3.06Å; A126-F226 HydrophobicContact CB-CE2 3.43Å; A126-F226 VanDerWaalsContact CB-CE2 3.43Å; A126-F226 HydrophobicContact CB-CZ 3.39Å
127G91.9Very high95.9Very high62 Ų6231.9 Ų31.964%0.63918%0.184SC*.THydrogen-bonded Turntrans89.821.1177.900000114.6M124 A125M124-G127 PolarHBondContact O-N 3.04Å; A125-G127 VanDerWaalsContact C-N 3.27Å
128R94.6Very high95.8Very high130 Ų13033 Ų3349%0.49120%0.196SC..  trans55.855.6176.1-57.8-179.2-177.7-172.14.1113.9W123 M124 G130W123-R128 HydrophobicContact CE3-CG 4.36Å; W123-R128 HydrophobicContact CH2-CB 3.76Å; W123-R128 HydrophobicContact CH2-CG 3.74Å; W123-R128 HydrophobicContact CZ2-CB 3.52Å; W123-R128 HydrophobicContact CZ2-CG 4Å; W123-R128 HydrophobicContact CZ3-CB 4.39Å; W123-R128 HydrophobicContact CZ3-CG 3.93Å; W123-R128 PolarHBondContact O-N 3.2Å; W123-R128 VanDerWaalsContact O-N 3.12Å; M124-R128 HydrophobicContact CG-CG 4.41Å; R128-G130 PolarHBondContact O-N 2.94Å
129P94.3Very high95.7Very high35 Ų3532.7 Ų32.723%0.22720%0.196CC..  trans-55.5141.5177.421.5-31000111.7W123 R131 F226W123-P129 PolarHBondContact NE1-O 3.04Å; P129-R131 PolarHBondContact O-N 3.06Å; P129-F226 HydrophobicContact CB-CB 4.45Å; P129-F226 HydrophobicContact CB-CG 4.25Å; P129-F226 HydrophobicContact CG-CB 4.28Å; P129-F226 HydrophobicContact CG-CD1 3.54Å; P129-F226 HydrophobicContact CG-CD2 3.79Å; P129-F226 HydrophobicContact CG-CE1 3.73Å; P129-F226 HydrophobicContact CG-CE2 3.94Å; P129-F226 HydrophobicContact CG-CG 3.58Å; P129-F226 HydrophobicContact CG-CZ 3.92Å
130G96Very high95.4Very high45 Ų4533.4 Ų33.446%0.46420%0.204SC..SBendtrans-70.7-7.7-173.900000115.4R128 A162 S163R128-G130 PolarHBondContact O-N 2.94Å; G130-A162 WeakPolarHBondContact O-CA 3.46Å; G130-S163 PolarHBondContact O-N 2.92Å
131R96.9Very high95.2Very high190 Ų19035.5 Ų35.572%0.71721%0.213SC*.EExtended strand (participates in β ladder)trans-126.6133.9169.9-65.2-177.3-176.3-90.52.2108.6P129 S163P129-R131 PolarHBondContact O-N 3.06Å; R131-S163 WeakPolarHBondContact CA-O 3.37Å
132L98.1Very high95.2Very high2 Ų234.8 Ų34.81%0.0121%0.208CC..EExtended strand (participates in β ladder)trans-135.5116.5179.9170.660.2000109.8W123 L134 F152 S163 V164 S165 F226 I228W123-L132 HydrophobicContact CB-CD1 4.44Å; W123-L132 HydrophobicContact CB-CD2 4.14Å; W123-L132 HydrophobicContact CD2-CD2 4.45Å; W123-L132 HydrophobicContact CG-CD1 4.49Å; W123-L132 HydrophobicContact CG-CD2 3.87Å; L132-L134 HydrophobicContact CD1-CD2 4.18Å; L132-L134 HydrophobicContact CD2-CD2 4.13Å; L132-L134 HydrophobicContact CG-CD2 4.05Å; L132-F152 HydrophobicContact CD2-CE1 3.68Å; L132-F152 HydrophobicContact CD2-CZ 4.09Å; L132-S163 PolarHBondContact N-O 3.31Å; L132-V164 HydrophobicContact CB-CG2 4.48Å; L132-V164 HydrophobicContact CD2-CG2 4.34Å; L132-V164 WeakPolarHBondContact O-CA 3.05Å; L132-S165 PolarHBondContact O-N 3.41Å; L132-F226 HydrophobicContact CD1-CD1 3.88Å; L132-F226 HydrophobicContact CD1-CE1 3.86Å; L132-I228 HydrophobicContact CD1-CD1 3.91Å; L132-I228 HydrophobicContact CD1-CG1 3.91Å
133Q98.6Very high95.3Very high18 Ų1834 Ų348%0.08421%0.205CC..EExtended strand (participates in β ladder)trans-94.6125.6170-61.3178.1-13.100109.6V135 S165 P223 F226 S227 I228Q133-V135 HydrophobicContact CB-CG2 4.1Å; Q133-S165 WeakPolarHBondContact CA-O 3.4Å; Q133-P223 PolarHBondContact NE2-O 2.96Å; Q133-P223 PolarHBondContact OE1-O 3.46Å; Q133-P223 VanDerWaalsContact OE1-O 3.05Å; Q133-F226 PolarHBondContact N-O 3.5Å; Q133-S227 CarbonylContact O-C 3.45Å; Q133-S227 VanDerWaalsContact O-CA 3.32Å; Q133-S227 WeakPolarHBondContact O-CA 3.45Å; Q133-S227 PolarHBondContact OE1-OG 3.13Å; Q133-I228 PolarHBondContact O-N 3.07Å
134L98.8Very high95.4Very high0 Ų034 Ų340%021%0.205CC..EExtended strand (participates in β ladder)trans-95.1114.3167-56-179.2000107.5M119 L132 M145 V148 F152 V164 S165 V166 H167M119-L134 HydrophobicContact SD-CD2 3.98Å; L132-L134 HydrophobicContact CD1-CD2 4.18Å; L132-L134 HydrophobicContact CD2-CD2 4.13Å; L132-L134 HydrophobicContact CG-CD2 4.05Å; L134-M145 HydrophobicContact CB-CE 4.05Å; L134-M145 HydrophobicContact CB-SD 4.27Å; L134-M145 HydrophobicContact CD1-SD 4.28Å; L134-V148 HydrophobicContact CD1-CG1 4.03Å; L134-F152 HydrophobicContact CD1-CD1 4.4Å; L134-F152 HydrophobicContact CD1-CD2 4.44Å; L134-F152 HydrophobicContact CD1-CE1 4.07Å; L134-F152 HydrophobicContact CD1-CE2 4.09Å; L134-F152 HydrophobicContact CD1-CZ 3.9Å; L134-F152 HydrophobicContact CD2-CE1 4.27Å; L134-F152 HydrophobicContact CD2-CE2 4.42Å; L134-F152 HydrophobicContact CD2-CZ 3.76Å; L134-F152 HydrophobicContact CG-CZ 4.42Å; L134-V164 HydrophobicContact CD1-CG1 3.95Å; L134-V164 HydrophobicContact CG-CG1 4.12Å; L134-S165 PolarHBondContact N-O 3.03Å; L134-V166 HydrophobicContact CB-CG2 4.42Å; L134-V166 HydrophobicContact CD1-CG2 4.5Å; L134-V166 CarbonylContact O-C 3.26Å; L134-V166 WeakPolarHBondContact O-CA 3.36Å; L134-H167 PolarHBondContact O-N 3.04Å
135V98.9Very high95.6Very high0 Ų032.6 Ų32.60%020%0.198CC..EExtended strand (participates in β ladder)trans-116.1124-173.9-169.30000109.6Q133 L137 H167 V169 L219 V222 I228 F229 V230Q133-V135 HydrophobicContact CB-CG2 4.1Å; V135-L137 HydrophobicContact CG1-CD1 4.38Å; V135-H167 CarbonylContact C-O 3.54Å; V135-H167 VanDerWaalsContact CA-O 3.25Å; V135-H167 WeakPolarHBondContact CA-O 3.36Å; V135-H167 HydrophobicContact CG1-CB 4.34Å; V135-H167 HydrophobicContact CG2-CB 4.18Å; V135-V169 HydrophobicContact CG1-CG2 4.49Å; V135-L219 HydrophobicContact CG1-CD1 4.29Å; V135-V222 HydrophobicContact CG1-CG1 4.38Å; V135-V222 HydrophobicContact CG1-CG2 4.3Å; V135-V222 HydrophobicContact CG2-CG1 4.13Å; V135-I228 PolarHBondContact N-O 2.88Å; V135-F229 HydrophobicContact CB-CD1 3.49Å; V135-F229 VanDerWaalsContact CB-CD1 3.49Å; V135-F229 HydrophobicContact CB-CE1 3.9Å; V135-F229 HydrophobicContact CB-CG 4.28Å; V135-F229 HydrophobicContact CG1-CD1 3.63Å; V135-F229 HydrophobicContact CG1-CE1 3.92Å; V135-F229 HydrophobicContact CG2-CD1 3.92Å; V135-F229 HydrophobicContact CG2-CE1 3.82Å; V135-F229 CarbonylContact O-C 3.59Å; V135-F229 VanDerWaalsContact O-CA 3.29Å; V135-F229 WeakPolarHBondContact O-CA 3.36Å; V135-V230 PolarHBondContact O-N 3.11Å
136E98.8Very high96Very high6 Ų631.3 Ų31.33%0.02819%0.188CC..EExtended strand (participates in β ladder)trans-120.5127.7177.1-169.5174.7173.100110.6P139 L144 M145 H167 L168 V169 V230E136-P139 HydrophobicContact CB-CB 4.33Å; E136-P139 HydrophobicContact CG-CB 3.86Å; E136-P139 WeakPolarHBondContact OE1-CA 3.36Å; E136-L144 WeakPolarHBondContact OE1-CB 3.37Å; E136-L144 WeakPolarHBondContact OE1-CD2 3.37Å; E136-M145 HydrophobicContact CB-CE 3.94Å; E136-M145 WeakPolarHBondContact OE2-CB 3.32Å; E136-M145 PolarHBondContact OE2-N 2.86Å; E136-H167 PolarHBondContact N-O 3.34Å; E136-L168 HydrophobicContact CB-CD2 3.81Å; E136-V169 PolarHBondContact O-N 2.88Å; E136-V230 WeakPolarHBondContact CA-O 3.23Å
137L98.5Very high96.3Very high2 Ų230 Ų301%0.0117%0.174CC..EExtended strand (participates in β ladder)trans-95.9122.8176.6-71.472.2000108.6V135 V169 L219 F229 V230 A231 F234 I299V135-L137 HydrophobicContact CG1-CD1 4.38Å; L137-V169 HydrophobicContact CG-CB 4.49Å; L137-L219 HydrophobicContact CD1-CD1 4.36Å; L137-L219 HydrophobicContact CD2-CD2 4.31Å; L137-F229 HydrophobicContact CD1-CD1 4.49Å; L137-V230 PolarHBondContact N-O 3.1Å; L137-A231 HydrophobicContact CB-CB 4.14Å; L137-A231 HydrophobicContact CD2-CB 4.49Å; L137-F234 HydrophobicContact CB-CD1 4.11Å; L137-F234 HydrophobicContact CB-CD2 4.02Å; L137-F234 HydrophobicContact CB-CE1 4.2Å; L137-F234 HydrophobicContact CB-CE2 4.1Å; L137-F234 HydrophobicContact CB-CG 4.03Å; L137-F234 HydrophobicContact CB-CZ 4.19Å; L137-F234 HydrophobicContact CD2-CD1 4.2Å; L137-F234 HydrophobicContact CD2-CE1 3.78Å; L137-F234 HydrophobicContact CD2-CZ 4.13Å; L137-I299 HydrophobicContact CD2-CG2 3.76Å
138G95.4Very high96.6Very high24 Ų2427 Ų2725%0.24714%0.144CC..SBendtrans60.760.5-177.900000113.4G140 V169G138-G140 PolarHBondContact O-N 3.27Å; G138-V169 PolarHBondContact N-O 2.81Å
139P95.4Very high96.7Very high8 Ų822 Ų225%0.05213%0.127CC..  trans-70.5-0.6-17130.4-37.6000115.1E136 K141 G142 L168 Q179E136-P139 HydrophobicContact CB-CB 4.33Å; E136-P139 HydrophobicContact CG-CB 3.86Å; E136-P139 WeakPolarHBondContact OE1-CA 3.36Å; P139-K141 PolarHBondContact O-N 3.38Å; P139-K141 VanDerWaalsContact O-N 3.07Å; P139-G142 PolarHBondContact O-N 2.83Å; P139-L168 HydrophobicContact CB-CD2 4.13Å; P139-L168 HydrophobicContact CG-CB 4.17Å; P139-L168 HydrophobicContact CG-CD1 4.33Å; P139-L168 HydrophobicContact CG-CD2 4.25Å; P139-L168 HydrophobicContact CG-CG 4.47Å; P139-Q179 HydrophobicContact CG-CG 4.28Å
140G92.1Very high96.8Very high17 Ų1724.1 Ų24.118%0.17513%0.13CC..THydrogen-bonded Turntrans59-112.6-179.200000111.9L95 G138 Q179L95-G140 VanDerWaalsContact CD1-CA 3.41Å; G138-G140 PolarHBondContact O-N 3.27Å; G140-Q179 WeakPolarHBondContact O-CG 3.29Å; G140-Q179 PolarHBondContact O-NE2 3.22Å
141K91.4Very high96.8Very high44 Ų4422 Ų2219%0.19111%0.108CC..THydrogen-bonded Turntrans-84.6-7.6174.7-68.4-176.2-174.7163.10114.4L95 E106 P139 S143 V178 T182L95-K141 VanDerWaalsContact C-NZ 3.28Å; L95-K141 HydrophobicContact CB-CD 4.12Å; L95-K141 HydrophobicContact CB-CG 3.8Å; L95-K141 HydrophobicContact CD1-CG 3.92Å; L95-K141 WeakPolarHBondContact O-CE 3.45Å; L95-K141 PolarHBondContact O-NZ 2.94Å; E106-K141 WeakPolarHBondContact OE2-CD 3.27Å; E106-K141 IonicContact OE2-NZ 3.29Å; E106-K141 PolarHBondContact OE2-NZ 3.23Å; P139-K141 PolarHBondContact O-N 3.38Å; P139-K141 VanDerWaalsContact O-N 3.07Å; K141-S143 VanDerWaalsContact C-N 3.31Å; K141-V178 HydrophobicContact CB-CG1 4.28Å; K141-V178 HydrophobicContact CG-CG1 4.21Å; K141-T182 PolarHBondContact O-OG1 2.87Å
142G95.3Very high96.7Very high0 Ų013.4 Ų13.40%08%0.076CC..SBendtrans79.410.1-170.500000114P139 L144 M145 A146P139-G142 PolarHBondContact O-N 2.83Å; G142-L144 VanDerWaalsContact C-N 3.34Å; G142-L144 PolarHBondContact O-N 2.67Å; G142-M145 PolarHBondContact O-N 3.41Å; G142-A146 WeakPolarHBondContact O-CB 3.44Å; G142-A146 PolarHBondContact O-N 3.42Å
143S95.8Very high96.6Very high5 Ų515.3 Ų15.34%0.03510%0.096CC..Hα-helixtrans-63-38.1179.9-62.50000112.7E106 K141 A146 D147E106-S143 WeakPolarHBondContact OE1-CB 3.16Å; E106-S143 PolarHBondContact OE1-OG 3.27Å; K141-S143 VanDerWaalsContact C-N 3.31Å; S143-A146 PolarHBondContact O-N 2.77Å; S143-D147 PolarHBondContact O-N 2.89Å; S143-D147 VanDerWaalsContact O-N 3.09Å
144L97.8Very high96.3Very high3 Ų317.5 Ų17.52%0.01611%0.106CC..Hα-helixtrans-60.7-55175.6176.653000110.9P105 F111 L115 E136 G142 A146 D147 V148 V230 H232P105-L144 HydrophobicContact CB-CB 4.03Å; P105-L144 HydrophobicContact CG-CB 3.75Å; P105-L144 HydrophobicContact CG-CD1 4.44Å; P105-L144 HydrophobicContact CG-CD2 4.46Å; P105-L144 HydrophobicContact CG-CG 4.44Å; F111-L144 HydrophobicContact CD1-CD1 4.22Å; F111-L144 HydrophobicContact CE1-CD1 4.31Å; L115-L144 HydrophobicContact CB-CD1 4.27Å; L115-L144 HydrophobicContact CD2-CD1 3.85Å; L115-L144 HydrophobicContact CD2-CD2 4.07Å; E136-L144 WeakPolarHBondContact OE1-CB 3.37Å; E136-L144 WeakPolarHBondContact OE1-CD2 3.37Å; G142-L144 VanDerWaalsContact C-N 3.34Å; G142-L144 PolarHBondContact O-N 2.67Å; L144-A146 VanDerWaalsContact C-N 3.25Å; L144-A146 PolarHBondContact O-N 3.42Å; L144-D147 PolarHBondContact O-N 2.64Å; L144-D147 VanDerWaalsContact O-N 3.17Å; L144-V148 HydrophobicContact CD1-CG2 4.26Å; L144-V148 WeakPolarHBondContact O-CG2 3.35Å; L144-V148 PolarHBondContact O-N 3.12Å; L144-V230 HydrophobicContact CD2-CG1 3.95Å; L144-H232 HydrophobicContact CD2-CB 4.07Å
145M98.4Very high96Very high0 Ų017.6 Ų17.60%011%0.107CC..Hα-helixtrans-59.2-35.9176.7-166.952.567.400112.8L134 E136 G142 D147 V148 L149 V166 L168 L183L134-M145 HydrophobicContact CB-CE 4.05Å; L134-M145 HydrophobicContact CB-SD 4.27Å; L134-M145 HydrophobicContact CD1-SD 4.28Å; E136-M145 HydrophobicContact CB-CE 3.94Å; E136-M145 WeakPolarHBondContact OE2-CB 3.32Å; E136-M145 PolarHBondContact OE2-N 2.86Å; G142-M145 PolarHBondContact O-N 3.41Å; M145-D147 PolarHBondContact O-N 3.01Å; M145-V148 PolarHBondContact O-N 3.15Å; M145-V148 HydrophobicContact SD-CB 4.23Å; M145-V148 HydrophobicContact SD-CG1 4.08Å; M145-L149 HydrophobicContact CG-CD1 4.1Å; M145-L149 HydrophobicContact CG-CG 4.23Å; M145-L149 WeakPolarHBondContact O-CB 3.39Å; M145-L149 VanDerWaalsContact O-CG 3.3Å; M145-L149 WeakPolarHBondContact O-CG 3.28Å; M145-L149 PolarHBondContact O-N 2.92Å; M145-L149 HydrophobicContact SD-CG 4.27Å; M145-V166 HydrophobicContact CE-CG1 4.06Å; M145-V166 HydrophobicContact CG-CG1 3.73Å; M145-V166 HydrophobicContact CG-CG2 4.3Å; M145-V166 HydrophobicContact SD-CG1 3.97Å; M145-V166 HydrophobicContact SD-CG2 3.99Å; M145-L168 HydrophobicContact CE-CD2 4.38Å; M145-L183 HydrophobicContact CB-CD1 4.33Å; M145-L183 HydrophobicContact CB-CD2 4.04Å; M145-L183 HydrophobicContact CG-CD1 4.3Å; M145-L183 HydrophobicContact CG-CD2 4.21Å
146A97.6Very high95.6Very high23 Ų2326.9 Ų26.919%0.1914%0.142CC..Hα-helixtrans-61.4-43.7176.900000111.9G142 S143 L144 R150 T182 L183G142-A146 WeakPolarHBondContact O-CB 3.44Å; G142-A146 PolarHBondContact O-N 3.42Å; S143-A146 PolarHBondContact O-N 2.77Å; L144-A146 VanDerWaalsContact C-N 3.25Å; L144-A146 PolarHBondContact O-N 3.42Å; A146-R150 PolarHBondContact O-N 2.98Å; A146-T182 HydrophobicContact CB-CG2 4.17Å; A146-L183 HydrophobicContact CB-CD2 3.86Å
147D97.8Very high95.2Very high16 Ų1631.1 Ų31.19%0.08617%0.172CC..Hα-helixtrans-68.1-39.6175.4-80.2-34.8000112.5Q109 S143 L144 M145 R150 V151Q109-D147 WeakPolarHBondContact CA-OD2 3.43Å; S143-D147 PolarHBondContact O-N 2.89Å; S143-D147 VanDerWaalsContact O-N 3.09Å; L144-D147 PolarHBondContact O-N 2.64Å; L144-D147 VanDerWaalsContact O-N 3.17Å; M145-D147 PolarHBondContact O-N 3.01Å; D147-R150 WeakPolarHBondContact O-CB 3.17Å; D147-R150 PolarHBondContact O-N 3.23Å; D147-R150 IonicContact OD1-CZ 3.56Å; D147-R150 IonicContact OD1-NE 3.38Å; D147-R150 IonicContact OD1-NH2 2.73Å; D147-R150 PolarHBondContact OD1-NH2 3.42Å; D147-V151 PolarHBondContact O-N 3.31Å; D147-V151 VanDerWaalsContact O-N 3.08Å
148V98.2Very high94.7Very high0 Ų031.7 Ų31.70%018%0.176CC..Hα-helixtrans-58.2-51.5173.4167.60000110.3M119 L134 L144 M145 R150 V151 F152M119-V148 HydrophobicContact CE-CG1 4.24Å; M119-V148 HydrophobicContact CE-CG2 3.98Å; M119-V148 HydrophobicContact SD-CB 4.42Å; M119-V148 HydrophobicContact SD-CG1 3.44Å; M119-V148 WeakPolarHBondContact SD-CG1 3.28Å; M119-V148 HydrophobicContact SD-CG2 4.05Å; L134-V148 HydrophobicContact CD1-CG1 4.03Å; L144-V148 HydrophobicContact CD1-CG2 4.26Å; L144-V148 WeakPolarHBondContact O-CG2 3.35Å; L144-V148 PolarHBondContact O-N 3.12Å; M145-V148 PolarHBondContact O-N 3.15Å; M145-V148 HydrophobicContact SD-CB 4.23Å; M145-V148 HydrophobicContact SD-CG1 4.08Å; V148-R150 VanDerWaalsContact C-N 3.26Å; V148-R150 PolarHBondContact O-N 3.43Å; V148-V151 WeakPolarHBondContact O-CA 3.17Å; V148-V151 WeakPolarHBondContact O-CB 3.46Å; V148-V151 PolarHBondContact O-N 3.32Å; V148-F152 HydrophobicContact CG1-CD2 3.86Å; V148-F152 HydrophobicContact CG1-CE2 3.79Å; V148-F152 VanDerWaalsContact O-CD2 3.3Å; V148-F152 WeakPolarHBondContact O-CD2 3.38Å; V148-F152 PolarHBondContact O-N 3.19Å
149L97.3Very high94.5Very high25 Ų2531.1 Ų31.113%0.13117%0.167CC..Hα-helixtrans-61.5-34.7179.9-74.1173.7000112.4M145 F152 G153 V166 L183 T207 V211M145-L149 HydrophobicContact CG-CD1 4.1Å; M145-L149 HydrophobicContact CG-CG 4.23Å; M145-L149 WeakPolarHBondContact O-CB 3.39Å; M145-L149 VanDerWaalsContact O-CG 3.3Å; M145-L149 WeakPolarHBondContact O-CG 3.28Å; M145-L149 PolarHBondContact O-N 2.92Å; M145-L149 HydrophobicContact SD-CG 4.27Å; L149-F152 PolarHBondContact O-N 3.39Å; L149-G153 PolarHBondContact O-N 2.76Å; L149-V166 HydrophobicContact CD1-CG2 4.29Å; L149-V166 HydrophobicContact CD2-CG2 3.85Å; L149-V166 HydrophobicContact CG-CG2 4.4Å; L149-L183 HydrophobicContact CD1-CD2 4.12Å; L149-T207 HydrophobicContact CD1-CG2 3.63Å; L149-V211 HydrophobicContact CD2-CB 4.43Å; L149-V211 HydrophobicContact CD2-CG1 4.16Å; L149-V211 HydrophobicContact CD2-CG2 4.41Å
150R96.2Very high94Very high78 Ų7834.7 Ų34.729%0.29420%0.197SC..Hα-helixtrans-63-41.5172.9-175.7169.754.879.1-4.2112E113 A146 D147 V148 G153 Q154E113-R150 IonicContact OE1-CZ 3.42Å; E113-R150 VanDerWaalsContact OE1-CZ 3.27Å; E113-R150 IonicContact OE1-NH1 3.71Å; E113-R150 PolarHBondContact OE1-NH1 3.38Å; E113-R150 IonicContact OE1-NH2 3.86Å; E113-R150 PolarHBondContact OE1-NH2 3.16Å; A146-R150 PolarHBondContact O-N 2.98Å; D147-R150 WeakPolarHBondContact O-CB 3.17Å; D147-R150 PolarHBondContact O-N 3.23Å; D147-R150 IonicContact OD1-CZ 3.56Å; D147-R150 IonicContact OD1-NE 3.38Å; D147-R150 IonicContact OD1-NH2 2.73Å; D147-R150 PolarHBondContact OD1-NH2 3.42Å; V148-R150 VanDerWaalsContact C-N 3.26Å; V148-R150 PolarHBondContact O-N 3.43Å; R150-G153 PolarHBondContact O-N 3.25Å; R150-Q154 WeakPolarHBondContact O-CG 3.24Å; R150-Q154 PolarHBondContact O-N 3.19Å
151V96.3Very high93.6Very high0 Ų037.2 Ų37.20%022%0.224CC..Hα-helixtrans-63.8-43.7172.7170.40000111.3F14 E113 V117 D147 V148 G153 Q154 L155F14-V151 HydrophobicContact CZ-CG2 4.15Å; E113-V151 HydrophobicContact CB-CG2 4.08Å; E113-V151 HydrophobicContact CG-CG2 3.99Å; V117-V151 HydrophobicContact CG2-CG1 4.02Å; D147-V151 PolarHBondContact O-N 3.31Å; D147-V151 VanDerWaalsContact O-N 3.08Å; V148-V151 WeakPolarHBondContact O-CA 3.17Å; V148-V151 WeakPolarHBondContact O-CB 3.46Å; V148-V151 PolarHBondContact O-N 3.32Å; V151-G153 VanDerWaalsContact C-N 3.31Å; V151-G153 PolarHBondContact O-N 2.97Å; V151-Q154 PolarHBondContact O-N 3.26Å; V151-L155 HydrophobicContact CG1-CD1 3.78Å; V151-L155 HydrophobicContact CG1-CG 4.4Å; V151-L155 WeakPolarHBondContact O-CB 3.05Å; V151-L155 WeakPolarHBondContact O-CG 3.42Å; V151-L155 PolarHBondContact O-N 3.46Å
152F95.3Very high93.7Very high11 Ų1135.9 Ų35.95%0.04822%0.221CC..Hα-helixtrans-60.8-40.1176.2-87.3-112.5000112M119 V120 L132 L134 V148 L149 L155 R156 V159 V164M119-F152 HydrophobicContact CB-CE2 4.17Å; M119-F152 HydrophobicContact CB-CZ 4.23Å; M119-F152 HydrophobicContact SD-CE2 4.42Å; V120-F152 HydrophobicContact CG2-CD2 4.06Å; V120-F152 HydrophobicContact CG2-CE1 4.19Å; V120-F152 HydrophobicContact CG2-CE2 3.61Å; V120-F152 HydrophobicContact CG2-CZ 3.68Å; L132-F152 HydrophobicContact CD2-CE1 3.68Å; L132-F152 HydrophobicContact CD2-CZ 4.09Å; L134-F152 HydrophobicContact CD1-CD1 4.4Å; L134-F152 HydrophobicContact CD1-CD2 4.44Å; L134-F152 HydrophobicContact CD1-CE1 4.07Å; L134-F152 HydrophobicContact CD1-CE2 4.09Å; L134-F152 HydrophobicContact CD1-CZ 3.9Å; L134-F152 HydrophobicContact CD2-CE1 4.27Å; L134-F152 HydrophobicContact CD2-CE2 4.42Å; L134-F152 HydrophobicContact CD2-CZ 3.76Å; L134-F152 HydrophobicContact CG-CZ 4.42Å; V148-F152 HydrophobicContact CG1-CD2 3.86Å; V148-F152 HydrophobicContact CG1-CE2 3.79Å; V148-F152 VanDerWaalsContact O-CD2 3.3Å; V148-F152 WeakPolarHBondContact O-CD2 3.38Å; V148-F152 PolarHBondContact O-N 3.19Å; L149-F152 PolarHBondContact O-N 3.39Å; F152-L155 CarbonylContact O-C 3.54Å; F152-L155 VanDerWaalsContact O-C 3.26Å; F152-L155 PolarHBondContact O-N 2.66Å; F152-R156 PolarHBondContact O-N 3.4Å; F152-V159 HydrophobicContact CD1-CG1 4.16Å; F152-V159 HydrophobicContact CD1-CG2 4.39Å; F152-V159 HydrophobicContact CE1-CG1 4.21Å; F152-V164 HydrophobicContact CD1-CG1 4.29Å; F152-V164 HydrophobicContact CD1-CG2 4.36Å; F152-V164 HydrophobicContact CE1-CG1 4.33Å; F152-V164 HydrophobicContact CE1-CG2 4.43Å
153G94Very high93.8Very high41 Ų4139.2 Ų39.242%0.42324%0.244SC..Hα-helixtrans-62.9-41.1173.900000113.1L149 R150 V151 L155 R156L149-G153 PolarHBondContact O-N 2.76Å; R150-G153 PolarHBondContact O-N 3.25Å; V151-G153 VanDerWaalsContact C-N 3.31Å; V151-G153 PolarHBondContact O-N 2.97Å; G153-L155 VanDerWaalsContact C-N 3.29Å; G153-L155 PolarHBondContact O-N 3.48Å; G153-R156 WeakPolarHBondContact O-CB 3.46Å; G153-R156 PolarHBondContact O-N 3.25Å
154Q93.3Very high93.9Very high65 Ų6540 Ų4030%0.30425%0.249SC..Hα-helixtrans-66.7-31.9174.3-71.1173.5-2300112.4A13 R150 V151A13-Q154 HydrophobicContact CB-CB 4.44Å; A13-Q154 PolarHBondContact O-OE1 2.99Å; R150-Q154 WeakPolarHBondContact O-CG 3.24Å; R150-Q154 PolarHBondContact O-N 3.19Å; V151-Q154 PolarHBondContact O-N 3.26Å
155L93.3Very high93.9Very high2 Ų241 Ų411%0.0126%0.256CS..THydrogen-bonded Turntrans-98.421.3179-63.9178000113L9 R12 A13 V120 V151 F152 G153 S157 V158 V159L9-L155 HydrophobicContact CD2-CD1 4.23Å; R12-L155 HydrophobicContact CB-CD2 3.8Å; A13-L155 HydrophobicContact CB-CD1 4.32Å; A13-L155 HydrophobicContact CB-CD2 4.01Å; A13-L155 HydrophobicContact CB-CG 4.05Å; V120-L155 HydrophobicContact CB-CD1 4.48Å; V120-L155 HydrophobicContact CG1-CD1 4.28Å; V120-L155 HydrophobicContact CG2-CD1 4.16Å; V151-L155 HydrophobicContact CG1-CD1 3.78Å; V151-L155 HydrophobicContact CG1-CG 4.4Å; V151-L155 WeakPolarHBondContact O-CB 3.05Å; V151-L155 WeakPolarHBondContact O-CG 3.42Å; V151-L155 PolarHBondContact O-N 3.46Å; F152-L155 CarbonylContact O-C 3.54Å; F152-L155 VanDerWaalsContact O-C 3.26Å; F152-L155 PolarHBondContact O-N 2.66Å; G153-L155 VanDerWaalsContact C-N 3.29Å; G153-L155 PolarHBondContact O-N 3.48Å; L155-S157 PolarHBondContact O-N 2.88Å; L155-V158 HydrophobicContact CB-CB 4.36Å; L155-V158 HydrophobicContact CB-CG2 4.47Å; L155-V158 HydrophobicContact CD2-CG2 4.33Å; L155-V158 WeakPolarHBondContact O-CA 3.25Å; L155-V158 WeakPolarHBondContact O-CB 3.5Å; L155-V158 PolarHBondContact O-N 2.74Å; L155-V159 PolarHBondContact O-N 3.05Å; L155-V159 VanDerWaalsContact O-N 3.16Å
156R89.6Confident93.9Very high194 Ų19441 Ų4173%0.73226%0.256SS*.Hα-helixtrans-50-37.6-176.868.6-178.6-174.9179.10.7113.8F152 G153 V158 V159 A160F152-R156 PolarHBondContact O-N 3.4Å; G153-R156 WeakPolarHBondContact O-CB 3.46Å; G153-R156 PolarHBondContact O-N 3.25Å; R156-V158 VanDerWaalsContact C-N 3.28Å; R156-V158 PolarHBondContact O-N 2.83Å; R156-V159 CarbonylContact O-C 3.28Å; R156-V159 PolarHBondContact O-N 3Å; R156-A160 WeakPolarHBondContact O-CA 3.49Å; R156-A160 VanDerWaalsContact O-CB 3.28Å; R156-A160 WeakPolarHBondContact O-CB 3.38Å; R156-A160 PolarHBondContact O-N 2.79Å
157S89.8Confident94Very high96 Ų9640.4 Ų40.467%0.67125%0.249SC*.Hα-helixtrans-69.6-25.4179.157.30000113.2L155L155-S157 PolarHBondContact O-N 2.88Å
158V88.8Confident94Very high14 Ų1439.6 Ų39.69%0.08525%0.245CC..Hα-helixtrans-79.4-38.3175.6-178.50000110.5L9 V120 W123 M124 L155 R156L9-V158 HydrophobicContact CD2-CG1 4.39Å; V120-V158 HydrophobicContact CG1-CG1 4.2Å; W123-V158 WeakPolarHBondContact CH2-O 3.41Å; W123-V158 HydrophobicContact CZ3-CG1 4.38Å; W123-V158 WeakPolarHBondContact CZ3-O 3.5Å; M124-V158 HydrophobicContact SD-CG1 3.84Å; L155-V158 HydrophobicContact CB-CB 4.36Å; L155-V158 HydrophobicContact CB-CG2 4.47Å; L155-V158 HydrophobicContact CD2-CG2 4.33Å; L155-V158 WeakPolarHBondContact O-CA 3.25Å; L155-V158 WeakPolarHBondContact O-CB 3.5Å; L155-V158 PolarHBondContact O-N 2.74Å; R156-V158 VanDerWaalsContact C-N 3.28Å; R156-V158 PolarHBondContact O-N 2.83Å
159V90.6Very high94Very high12 Ų1240.2 Ų40.27%0.07325%0.249CC..Hα-helixtrans-96.81.4-177.1-59.60000114.3V120 W123 F152 L155 R156 G161 A162V120-V159 HydrophobicContact CG2-CG1 4.36Å; W123-V159 HydrophobicContact CE3-CG1 4.28Å; W123-V159 HydrophobicContact CZ3-CG1 4.02Å; F152-V159 HydrophobicContact CD1-CG1 4.16Å; F152-V159 HydrophobicContact CD1-CG2 4.39Å; F152-V159 HydrophobicContact CE1-CG1 4.21Å; L155-V159 PolarHBondContact O-N 3.05Å; L155-V159 VanDerWaalsContact O-N 3.16Å; R156-V159 CarbonylContact O-C 3.28Å; R156-V159 PolarHBondContact O-N 3Å; V159-G161 PolarHBondContact O-N 3.33Å; V159-A162 PolarHBondContact O-N 2.97Å
160A85.1Confident93.8Very high82 Ų8239.7 Ų39.768%0.67825%0.245SC*.THydrogen-bonded Turntrans-56.2-26.5-172.600000115R156 A162R156-A160 WeakPolarHBondContact O-CA 3.49Å; R156-A160 VanDerWaalsContact O-CB 3.28Å; R156-A160 WeakPolarHBondContact O-CB 3.38Å; R156-A160 PolarHBondContact O-N 2.79Å; A160-A162 VanDerWaalsContact C-N 3.3Å
161G84.9Confident93.4Very high71 Ų7140.1 Ų40.173%0.73226%0.257SS*.THydrogen-bonded Turntrans-82.7-1.1178.100000114.8V159V159-G161 PolarHBondContact O-N 3.33Å
162A93.3Very high92.7Very high16 Ų1640.5 Ų40.513%0.13226%0.259CS..SBendtrans-114.5136.4-179.300000112W123 G130 V159 A160 V164W123-A162 HydrophobicContact CZ2-CB 3.68Å; G130-A162 WeakPolarHBondContact O-CA 3.46Å; V159-A162 PolarHBondContact O-N 2.97Å; A160-A162 VanDerWaalsContact C-N 3.3Å; A162-V164 HydrophobicContact CB-CG2 4.45Å; A162-V164 PolarHBondContact O-N 2.97Å
163S96.8Very high92Very high70 Ų7042.6 Ų42.649%0.4927%0.274SS..EExtended strand (participates in β ladder)trans-77.7108.6162.3-179.70000108.4G130 R131 L132G130-S163 PolarHBondContact O-N 2.92Å; R131-S163 WeakPolarHBondContact CA-O 3.37Å; L132-S163 PolarHBondContact N-O 3.31Å
164V97.8Very high91.5Very high21 Ų2143 Ų4313%0.12727%0.268CS..EExtended strand (participates in β ladder)trans-95.4135.3-179.5-175.90000109.8L132 L134 F152 A162 V211L132-V164 HydrophobicContact CB-CG2 4.48Å; L132-V164 HydrophobicContact CD2-CG2 4.34Å; L132-V164 WeakPolarHBondContact O-CA 3.05Å; L134-V164 HydrophobicContact CD1-CG1 3.95Å; L134-V164 HydrophobicContact CG-CG1 4.12Å; F152-V164 HydrophobicContact CD1-CG1 4.29Å; F152-V164 HydrophobicContact CD1-CG2 4.36Å; F152-V164 HydrophobicContact CE1-CG1 4.33Å; F152-V164 HydrophobicContact CE1-CG2 4.43Å; A162-V164 HydrophobicContact CB-CG2 4.45Å; A162-V164 PolarHBondContact O-N 2.97Å; V164-V211 HydrophobicContact CG1-CG1 4.34Å
165S98.3Very high91.2Very high24 Ų2441.2 Ų41.217%0.16826%0.26CS..EExtended strand (participates in β ladder)trans-136.2149.5172.558.80000111.3L132 Q133 L134 H167L132-S165 PolarHBondContact O-N 3.41Å; Q133-S165 WeakPolarHBondContact CA-O 3.4Å; L134-S165 PolarHBondContact N-O 3.03Å; S165-H167 PolarHBondContact OG-NE2 2.89Å
166V98.6Very high91Very high0 Ų041.1 Ų41.10%026%0.26CS..EExtended strand (participates in β ladder)trans-107.5133.4178.3177.30000110.1L134 M145 L149 L168 V211 P212 V213 S214L134-V166 HydrophobicContact CB-CG2 4.42Å; L134-V166 HydrophobicContact CD1-CG2 4.5Å; L134-V166 CarbonylContact O-C 3.26Å; L134-V166 WeakPolarHBondContact O-CA 3.36Å; M145-V166 HydrophobicContact CE-CG1 4.06Å; M145-V166 HydrophobicContact CG-CG1 3.73Å; M145-V166 HydrophobicContact CG-CG2 4.3Å; M145-V166 HydrophobicContact SD-CG1 3.97Å; M145-V166 HydrophobicContact SD-CG2 3.99Å; L149-V166 HydrophobicContact CD1-CG2 4.29Å; L149-V166 HydrophobicContact CD2-CG2 3.85Å; L149-V166 HydrophobicContact CG-CG2 4.4Å; V166-L168 HydrophobicContact CG1-CD2 3.75Å; V166-L168 HydrophobicContact CG1-CG 3.98Å; V166-V211 HydrophobicContact CG2-CG1 4Å; V166-P212 PolarHBondContact N-O 3.01Å; V166-V213 HydrophobicContact CB-CB 4.38Å; V166-V213 HydrophobicContact CB-CG1 4.06Å; V166-V213 HydrophobicContact CB-CG2 4.16Å; V166-V213 HydrophobicContact CG1-CG1 3.86Å; V166-V213 CarbonylContact O-C 3.58Å; V166-V213 WeakPolarHBondContact O-CA 3.35Å; V166-S214 PolarHBondContact O-N 3.46Å
167H98.6Very high90.9Very high10 Ų1037.6 Ų37.65%0.04625%0.247CC..EExtended strand (participates in β ladder)trans-129.1119.6179.4-57.7-94.2000109.5L134 V135 E136 S165 S214 Y216 V222L134-H167 PolarHBondContact O-N 3.04Å; V135-H167 CarbonylContact C-O 3.54Å; V135-H167 VanDerWaalsContact CA-O 3.25Å; V135-H167 WeakPolarHBondContact CA-O 3.36Å; V135-H167 HydrophobicContact CG1-CB 4.34Å; V135-H167 HydrophobicContact CG2-CB 4.18Å; E136-H167 PolarHBondContact N-O 3.34Å; S165-H167 PolarHBondContact OG-NE2 2.89Å; H167-S214 CarbonylContact C-O 3.46Å; H167-S214 WeakPolarHBondContact CA-O 3.25Å; H167-Y216 HydrophobicContact CB-CD2 4.26Å; H167-Y216 HydrophobicContact CB-CE2 3.73Å; H167-Y216 AromaticContact CG-CE2 3.94Å; H167-Y216 AromaticContact ND1-CE2 3.36Å; H167-Y216 WeakPolarHBondContact ND1-CE2 3.47Å; H167-Y216 AromaticContact ND1-CZ 3.61Å; H167-Y216 PolarHBondContact ND1-OH 3.47Å; H167-V222 HydrophobicContact CB-CG1 3.88Å; H167-V222 HydrophobicContact CB-CG2 4.46Å
168L98.4Very high91Very high0 Ų034.5 Ų34.50%022%0.224CC..EExtended strand (participates in β ladder)trans-113.5124.2-174.5-61-174.5000109.9E136 P139 M145 V166 Q179 L183 V213 S214 W215 Y216E136-L168 HydrophobicContact CB-CD2 3.81Å; P139-L168 HydrophobicContact CB-CD2 4.13Å; P139-L168 HydrophobicContact CG-CB 4.17Å; P139-L168 HydrophobicContact CG-CD1 4.33Å; P139-L168 HydrophobicContact CG-CD2 4.25Å; P139-L168 HydrophobicContact CG-CG 4.47Å; M145-L168 HydrophobicContact CE-CD2 4.38Å; V166-L168 HydrophobicContact CG1-CD2 3.75Å; V166-L168 HydrophobicContact CG1-CG 3.98Å; L168-Q179 HydrophobicContact CD1-CB 4.46Å; L168-L183 HydrophobicContact CD1-CD1 3.59Å; L168-V213 HydrophobicContact CD1-CG1 4.07Å; L168-V213 HydrophobicContact CG-CG1 4.32Å; L168-S214 PolarHBondContact N-O 2.82Å; L168-W215 HydrophobicContact CB-CG 4.2Å; L168-W215 HydrophobicContact CD1-CD2 4.46Å; L168-W215 HydrophobicContact CD1-CZ2 3.9Å; L168-W215 CarbonylContact O-C 3.55Å; L168-W215 VanDerWaalsContact O-CA 3.29Å; L168-W215 WeakPolarHBondContact O-CA 3.4Å; L168-Y216 PolarHBondContact O-N 3.17Å
169V97.6Very high91.2Very high13 Ų1333.9 Ų33.98%0.07922%0.22CC..EExtended strand (participates in β ladder)trans-97.4105.9176.6-1740000108.4V135 E136 L137 G138 Y216 L219 V222V135-V169 HydrophobicContact CG1-CG2 4.49Å; E136-V169 PolarHBondContact O-N 2.88Å; L137-V169 HydrophobicContact CG-CB 4.49Å; G138-V169 PolarHBondContact N-O 2.81Å; V169-Y216 CarbonylContact C-O 3.54Å; V169-Y216 WeakPolarHBondContact CA-O 3.06Å; V169-L219 HydrophobicContact CG2-CD1 4.19Å; V169-V222 HydrophobicContact CG2-CG2 3.89Å
170E92.9Very high91.3Very high13 Ų1333.5 Ų33.56%0.06122%0.218CC..  trans-145125-171.3176.159.7-100.900111.8S172 L175 Q179 Y202 Y216 R217E170-S172 VanDerWaalsContact OE1-CB 3.29Å; E170-S172 WeakPolarHBondContact OE1-CB 3.48Å; E170-S172 PolarHBondContact OE1-N 3.09Å; E170-L175 HydrophobicContact CG-CB 4.36Å; E170-Q179 PolarHBondContact OE2-NE2 2.86Å; E170-Y202 WeakPolarHBondContact O-CE1 3.45Å; E170-Y202 PolarHBondContact O-OH 2.81Å; E170-Y216 PolarHBondContact N-O 3.39Å; E170-R217 PolarHBondContact O-NH1 3.43Å
171V87.5Confident91.7Very high88 Ų8835.9 Ų35.953%0.53322%0.215SC..  trans-95.4-19.2-179.3-61.80000113P173 R217V171-P173 WeakPolarHBondContact O-CD 3.4Å; V171-R217 PolarHBondContact O-NH1 3.27Å
172S83.1Confident92.1Very high7 Ų734.8 Ų34.85%0.04920%0.195CC..  trans-84.1116177.9-179.60000111.3Y89 E170 V174 L175 S176Y89-S172 PolarHBondContact O-OG 3.18Å; E170-S172 VanDerWaalsContact OE1-CB 3.29Å; E170-S172 WeakPolarHBondContact OE1-CB 3.48Å; E170-S172 PolarHBondContact OE1-N 3.09Å; S172-V174 PolarHBondContact O-N 3.36Å; S172-L175 PolarHBondContact O-N 3.03Å; S172-L175 PolarHBondContact OG-N 3.47Å; S172-S176 PolarHBondContact O-N 3.21Å
173P80.5Confident92.2Very high55 Ų5534.8 Ų34.836%0.35719%0.192SC..Hα-helixtrans-63.1-32.217625.6-32.2000111.8V171 S176 R177V171-P173 WeakPolarHBondContact O-CD 3.4Å; P173-S176 PolarHBondContact O-OG 3.09Å; P173-R177 WeakPolarHBondContact O-CG 3.21Å; P173-R177 PolarHBondContact O-N 2.98Å
174V83Confident91.9Very high49 Ų4932.1 Ų32.130%0.29717%0.173SC..Hα-helixtrans-66.3-50.6178.1178.40000110.6M93 S172 S176 R177 V178M93-V174 HydrophobicContact CE-CG1 3.91Å; M93-V174 HydrophobicContact CG-CG1 4.08Å; S172-V174 PolarHBondContact O-N 3.36Å; V174-S176 VanDerWaalsContact C-N 3.31Å; V174-S176 PolarHBondContact O-N 3.04Å; V174-R177 PolarHBondContact O-N 2.82Å; V174-V178 PolarHBondContact O-N 2.57Å
175L86.6Confident91.3Very high28 Ų2832.9 Ų32.915%0.14719%0.185CC..Hα-helixtrans-64.8-37178.9-66.8177.5000111.8L95 E170 S172 R177 V178 Q179L95-L175 HydrophobicContact CD1-CD2 3.87Å; E170-L175 HydrophobicContact CG-CB 4.36Å; S172-L175 PolarHBondContact O-N 3.03Å; S172-L175 PolarHBondContact OG-N 3.47Å; L175-R177 PolarHBondContact O-N 3.06Å; L175-V178 PolarHBondContact O-N 3.02Å; L175-V178 VanDerWaalsContact O-N 3.12Å; L175-Q179 WeakPolarHBondContact O-CB 3.34Å; L175-Q179 VanDerWaalsContact O-CD 3.24Å; L175-Q179 WeakPolarHBondContact O-CG 3.33Å; L175-Q179 PolarHBondContact O-N 3.1Å; L175-Q179 PolarHBondContact O-NE2 3.25Å
176S89.3Confident89.7Confident0 Ų039.3 Ų39.30%022%0.224CC..Hα-helixtrans-57.3-33.3175.882.20000113.2S172 P173 V174 A180 Y202 R203S172-S176 PolarHBondContact O-N 3.21Å; P173-S176 PolarHBondContact O-OG 3.09Å; V174-S176 VanDerWaalsContact C-N 3.31Å; V174-S176 PolarHBondContact O-N 3.04Å; S176-A180 WeakPolarHBondContact O-CB 3.25Å; S176-A180 PolarHBondContact O-N 2.88Å; S176-Y202 VanDerWaalsContact CB-OH 3.24Å; S176-Y202 WeakPolarHBondContact CB-OH 3.39Å; S176-R203 PolarHBondContact OG-NE 3.1Å; S176-R203 PolarHBondContact OG-NH2 2.85Å; S176-R203 VanDerWaalsContact OG-NH2 3.08Å
177R88.5Confident87.7Confident120 Ų12041.8 Ų41.845%0.45325%0.249SC..Hα-helixtrans-73-45.7176-69176-176163.4-0.1111.3P173 V174 L175 Q179 A180 E181 E190P173-R177 WeakPolarHBondContact O-CG 3.21Å; P173-R177 PolarHBondContact O-N 2.98Å; V174-R177 PolarHBondContact O-N 2.82Å; L175-R177 PolarHBondContact O-N 3.06Å; R177-Q179 VanDerWaalsContact C-N 3.27Å; R177-Q179 PolarHBondContact O-N 2.89Å; R177-A180 PolarHBondContact O-N 2.83Å; R177-A180 VanDerWaalsContact O-N 3.13Å; R177-E181 WeakPolarHBondContact O-CG 3.18Å; R177-E181 PolarHBondContact O-N 3.01Å; R177-E190 IonicContact CZ-OE1 2.62Å; R177-E190 IonicContact NE-OE1 2.83Å; R177-E190 PolarHBondContact NE-OE1 3.09Å; R177-E190 IonicContact NE-OE2 3.49Å; R177-E190 IonicContact NH2-OE1 2.71Å; R177-E190 PolarHBondContact NH2-OE1 2.86Å; R177-E190 IonicContact NH2-OE2 3.96Å; R177-E190 PolarHBondContact NH2-OE2 3.28Å
178V90.3Very high85.8Confident32 Ų3242.5 Ų42.519%0.19426%0.26CS..Hα-helixtrans-58.3-41.2175.2176.30000111.2M93 K141 V174 L175 T182M93-V178 HydrophobicContact CE-CG2 4.19Å; K141-V178 HydrophobicContact CB-CG1 4.28Å; K141-V178 HydrophobicContact CG-CG1 4.21Å; V174-V178 PolarHBondContact O-N 2.57Å; L175-V178 PolarHBondContact O-N 3.02Å; L175-V178 VanDerWaalsContact O-N 3.12Å; V178-T182 VanDerWaalsContact O-CB 3.31Å; V178-T182 WeakPolarHBondContact O-CB 3.39Å; V178-T182 PolarHBondContact O-N 2.88Å; V178-T182 PolarHBondContact O-OG1 3.37Å
179Q93.6Very high84Confident0 Ų050.3 Ų50.30%030%0.296CS..Hα-helixtrans-65.1-43.8175.8-66.9154.321.900111.5P139 G140 L168 E170 L175 R177 T182 L183 W215P139-Q179 HydrophobicContact CG-CG 4.28Å; G140-Q179 WeakPolarHBondContact O-CG 3.29Å; G140-Q179 PolarHBondContact O-NE2 3.22Å; L168-Q179 HydrophobicContact CD1-CB 4.46Å; E170-Q179 PolarHBondContact OE2-NE2 2.86Å; L175-Q179 WeakPolarHBondContact O-CB 3.34Å; L175-Q179 VanDerWaalsContact O-CD 3.24Å; L175-Q179 WeakPolarHBondContact O-CG 3.33Å; L175-Q179 PolarHBondContact O-N 3.1Å; L175-Q179 PolarHBondContact O-NE2 3.25Å; R177-Q179 VanDerWaalsContact C-N 3.27Å; R177-Q179 PolarHBondContact O-N 2.89Å; Q179-T182 PolarHBondContact O-N 3.34Å; Q179-L183 WeakPolarHBondContact O-CB 3.39Å; Q179-L183 VanDerWaalsContact O-CG 3.31Å; Q179-L183 WeakPolarHBondContact O-CG 3.38Å; Q179-L183 PolarHBondContact O-N 3.24Å; Q179-W215 HydrophobicContact CB-CZ2 4.23Å; Q179-W215 VanDerWaalsContact OE1-CD1 3.31Å
180A93Very high82.2Confident5 Ų554 Ų544%0.04131%0.312CS..Hα-helixtrans-62-45.6177.300000111.5S176 R177 T182 L183 T184 G185 W215S176-A180 WeakPolarHBondContact O-CB 3.25Å; S176-A180 PolarHBondContact O-N 2.88Å; R177-A180 PolarHBondContact O-N 2.83Å; R177-A180 VanDerWaalsContact O-N 3.13Å; A180-T182 VanDerWaalsContact C-N 3.31Å; A180-T182 PolarHBondContact O-N 3.03Å; A180-L183 PolarHBondContact O-N 3.3Å; A180-T184 WeakPolarHBondContact O-CA 3.33Å; A180-T184 WeakPolarHBondContact O-CB 3.44Å; A180-T184 PolarHBondContact O-N 3Å; A180-T184 PolarHBondContact O-OG1 3.08Å; A180-G185 PolarHBondContact O-N 3.07Å; A180-W215 HydrophobicContact CB-CH2 4.02Å; A180-W215 HydrophobicContact CB-CZ2 3.94Å
181E92.2Very high80.4Confident132 Ų13255.3 Ų55.362%0.61733%0.325SS*.Hα-helixtrans-58.8-43.9173.7-71.4171-173.400111.5R177 G185R177-E181 WeakPolarHBondContact O-CG 3.18Å; R177-E181 PolarHBondContact O-N 3.01Å; E181-G185 VanDerWaalsContact O-CA 3.31Å; E181-G185 WeakPolarHBondContact O-CA 3.47Å; E181-G185 PolarHBondContact O-N 3.32Å; E181-G185 VanDerWaalsContact O-N 3.12Å
182T93.8Very high78.5Confident48 Ų4856.6 Ų56.629%0.29434%0.338SS..Hα-helixtrans-65.8-39.7-179.2-62.40000112.9K141 A146 V178 Q179 A180K141-T182 PolarHBondContact O-OG1 2.87Å; A146-T182 HydrophobicContact CB-CG2 4.17Å; V178-T182 VanDerWaalsContact O-CB 3.31Å; V178-T182 WeakPolarHBondContact O-CB 3.39Å; V178-T182 PolarHBondContact O-N 2.88Å; V178-T182 PolarHBondContact O-OG1 3.37Å; Q179-T182 PolarHBondContact O-N 3.34Å; A180-T182 VanDerWaalsContact C-N 3.31Å; A180-T182 PolarHBondContact O-N 3.03Å
183L95.2Very high77.1Confident15 Ų1566.7 Ų66.78%0.07938%0.375CS..Hα-helixtrans-98.2-29.8-171.1-62.5174.5000113.9M145 A146 L149 L168 Q179 A180 T207 V213M145-L183 HydrophobicContact CB-CD1 4.33Å; M145-L183 HydrophobicContact CB-CD2 4.04Å; M145-L183 HydrophobicContact CG-CD1 4.3Å; M145-L183 HydrophobicContact CG-CD2 4.21Å; A146-L183 HydrophobicContact CB-CD2 3.86Å; L149-L183 HydrophobicContact CD1-CD2 4.12Å; L168-L183 HydrophobicContact CD1-CD1 3.59Å; Q179-L183 WeakPolarHBondContact O-CB 3.39Å; Q179-L183 VanDerWaalsContact O-CG 3.31Å; Q179-L183 WeakPolarHBondContact O-CG 3.38Å; Q179-L183 PolarHBondContact O-N 3.24Å; A180-L183 PolarHBondContact O-N 3.3Å; L183-T207 WeakPolarHBondContact O-CA 3.47Å; L183-T207 WeakPolarHBondContact O-CB 3.38Å; L183-T207 VanDerWaalsContact O-CG2 3.23Å; L183-T207 WeakPolarHBondContact O-CG2 3.43Å; L183-V213 HydrophobicContact CD1-CG1 4.37Å
184T92.1Very high75.8Confident14 Ų1472.5 Ų72.59%0.08640%0.398CS..Hα-helixtrans-120.5-5.4-171.272.90000113.1A180 G187 G188 E206 V213 W215A180-T184 WeakPolarHBondContact O-CA 3.33Å; A180-T184 WeakPolarHBondContact O-CB 3.44Å; A180-T184 PolarHBondContact O-N 3Å; A180-T184 PolarHBondContact O-OG1 3.08Å; T184-G187 PolarHBondContact O-N 3.39Å; T184-G188 PolarHBondContact OG1-N 3.2Å; T184-E206 WeakPolarHBondContact CA-O 3.33Å; T184-E206 WeakPolarHBondContact CB-O 3.38Å; T184-E206 WeakPolarHBondContact CG2-O 3.41Å; T184-V213 HydrophobicContact CG2-CB 4.43Å; T184-V213 HydrophobicContact CG2-CG2 4.11Å; T184-W215 HydrophobicContact CG2-CH2 4.14Å
185G84.1Confident74.6Confident38 Ų3876.3 Ų76.339%0.39242%0.423SS..G310 helixtrans65.5-144.4-170.600000111.2A180 E181 G187A180-G185 PolarHBondContact O-N 3.07Å; E181-G185 VanDerWaalsContact O-CA 3.31Å; E181-G185 WeakPolarHBondContact O-CA 3.47Å; E181-G185 PolarHBondContact O-N 3.32Å; E181-G185 VanDerWaalsContact O-N 3.12Å; G185-G187 PolarHBondContact O-N 3.17Å
186T64.8Low73.6Confident158 Ų15879.2 Ų79.297%0.96944%0.439SS*.G310 helixtrans-77.81.8177.853.20000113.9
187G57.1Low72.5Confident52 Ų5285.4 Ų85.454%0.53648%0.479SS..G310 helixtrans-83-6.5-175.400000115.6T184 G185 Q189T184-G187 PolarHBondContact O-N 3.39Å; G185-G187 PolarHBondContact O-N 3.17Å; G187-Q189 PolarHBondContact O-N 3.29Å; G187-Q189 VanDerWaalsContact O-N 3.16Å
188G58.2Low71.8Confident26 Ų2683.9 Ų83.927%0.26849%0.492SS..  trans-67.6109.7179.400000112T184T184-G188 PolarHBondContact OG1-N 3.2Å
189Q60Low71.4Confident163 Ų16385 Ų8576%0.76250%0.497SS*.EExtended strand (participates in β ladder)trans-83.3119170.2-67.6-172.2-14.700109.1G187 A191 R204G187-Q189 PolarHBondContact O-N 3.29Å; G187-Q189 VanDerWaalsContact O-N 3.16Å; Q189-A191 PolarHBondContact O-N 3.02Å; Q189-R204 VanDerWaalsContact O-O 3.12Å
190E60.6Low71.1Confident90 Ų9087.6 Ų87.642%0.42151%0.514SS..EExtended strand (participates in β ladder)trans-66.2117.4166.9-161.6159.8-138.300106.8R177 S192 R203R177-E190 IonicContact CZ-OE1 2.62Å; R177-E190 IonicContact NE-OE1 2.83Å; R177-E190 PolarHBondContact NE-OE1 3.09Å; R177-E190 IonicContact NE-OE2 3.49Å; R177-E190 IonicContact NH2-OE1 2.71Å; R177-E190 PolarHBondContact NH2-OE1 2.86Å; R177-E190 IonicContact NH2-OE2 3.96Å; R177-E190 PolarHBondContact NH2-OE2 3.28Å; E190-S192 PolarHBondContact O-N 3.03Å; E190-R203 IonicContact OE1-CZ 3.79Å; E190-R203 IonicContact OE1-NH1 3.21Å; E190-R203 IonicContact OE1-NH2 3.74Å; E190-R203 PolarHBondContact OE1-NH2 3.14Å
191A54.8Low71Confident41 Ų4187.6 Ų87.634%0.33951%0.514SS..  trans-71.781.5170.600000107.1Q189 R193Q189-A191 PolarHBondContact O-N 3.02Å; A191-R193 PolarHBondContact O-N 3.34Å
192S47.3Very low70.9Confident115 Ų11583.5 Ų83.580%0.80449%0.493SS*.  trans-72.170.1164.164.80000107.9E190E190-S192 PolarHBondContact O-N 3.03Å
193R53.3Low70.7Confident220 Ų22081.7 Ų81.783%0.8348%0.481SS*.  trans-120143.7168.4-75.1-176.2171.8165.3-1.7107.4A191A191-R193 PolarHBondContact O-N 3.34Å
194E54.4Low70.6Confident177 Ų17786.5 Ų86.583%0.82750%0.498SS*.  trans-50.6146.7164.8-67.3-159.915700108.7D196E194-D196 PolarHBondContact O-N 2.89Å
195P56.4Low70.5Confident128 Ų12886.7 Ų86.783%0.83150%0.503SS*.  trans-51.6109.4-179.3-21.229.9000109.6P197P195-P197 WeakPolarHBondContact O-CD 3.49Å
196D65.9Low71Confident90 Ų9090.5 Ų90.548%0.48151%0.51SS..BIsolated β-bridgetrans-83.7115.2168.8-176.3-11000106E194 A198 D199E194-D196 PolarHBondContact O-N 2.89Å; D196-A198 PolarHBondContact O-N 3.16Å; D196-A198 VanDerWaalsContact OD1-CB 3.28Å; D196-A198 WeakPolarHBondContact OD1-CB 3.3Å; D196-A198 PolarHBondContact OD1-N 2.74Å; D196-D199 HydrophobicContact CB-CB 4.37Å; D196-D199 CarbonylContact O-C 3.57Å; D196-D199 VanDerWaalsContact O-C 3.28Å; D196-D199 PolarHBondContact O-N 2.87Å
197P66.4Low72.4Confident130 Ų13083.7 Ų83.784%0.84447%0.468SS*.THydrogen-bonded Turntrans-56.3-20.4176.1-22.433.5000113P195P195-P197 WeakPolarHBondContact O-CD 3.49Å
198A74.5Confident74Confident87 Ų8786.6 Ų86.672%0.71949%0.488SS*.THydrogen-bonded Turntrans-85.9-17.3175.800000114.2D196D196-A198 PolarHBondContact O-N 3.16Å; D196-A198 VanDerWaalsContact OD1-CB 3.28Å; D196-A198 WeakPolarHBondContact OD1-CB 3.3Å; D196-A198 PolarHBondContact OD1-N 2.74Å
199D81.3Confident75.4Confident55 Ų5589.3 Ų89.329%0.29451%0.508SS..BIsolated β-bridgetrans-12989.1174-169.74.4000111.1D196 A201 R204D196-D199 HydrophobicContact CB-CB 4.37Å; D196-D199 CarbonylContact O-C 3.57Å; D196-D199 VanDerWaalsContact O-C 3.28Å; D196-D199 PolarHBondContact O-N 2.87Å; D199-A201 PolarHBondContact O-N 3.25Å; D199-A201 WeakPolarHBondContact OD1-CB 3.4Å; D199-A201 PolarHBondContact OD1-N 2.77Å; D199-R204 IonicContact OD1-CZ 3.74Å; D199-R204 IonicContact OD1-NE 2.8Å; D199-R204 IonicContact OD1-NH2 3.5Å; D199-R204 PolarHBondContact OD1-NH2 3.2Å; D199-R204 IonicContact OD2-CZ 3.5Å; D199-R204 IonicContact OD2-NE 2.62Å; D199-R204 PolarHBondContact OD2-NE 3.04Å; D199-R204 VanDerWaalsContact OD2-NE 3.13Å; D199-R204 IonicContact OD2-NH2 3.95Å; D199-R204 PolarHBondContact OD2-NH2 3.33Å
200P88Confident76.9Confident56 Ų5683.5 Ų83.536%0.36449%0.491SS..  trans-76.2-3.3-176.634.6-38.4000113.1Y202 Y216 D221P200-Y202 PolarHBondContact O-N 3.05Å; P200-Y216 HydrophobicContact CG-CE1 4.39Å; P200-D221 HydrophobicContact CB-CB 3.76Å; P200-D221 HydrophobicContact CG-CB 4.02Å
201A91.4Very high78.6Confident5 Ų580.4 Ų80.44%0.04148%0.478CS..  trans-76.2116175.300000110.7D199 R204 W215 Y216D199-A201 PolarHBondContact O-N 3.25Å; D199-A201 WeakPolarHBondContact OD1-CB 3.4Å; D199-A201 PolarHBondContact OD1-N 2.77Å; A201-R204 HydrophobicContact CB-CG 4.35Å; A201-W215 CarbonylContact C-O 3.57Å; A201-W215 VanDerWaalsContact CA-O 3.28Å; A201-W215 WeakPolarHBondContact CA-O 3.46Å; A201-Y216 HydrophobicContact CB-CD1 4.2Å; A201-Y216 HydrophobicContact CB-CE1 3.68Å
202Y89.5Confident80.5Confident46 Ų4681.2 Ų81.218%0.1848%0.48CS..SBendtrans-84.4-12-178.873.7-95.9000113.6E170 S176 P200 W215 Y216 R217E170-Y202 WeakPolarHBondContact O-CE1 3.45Å; E170-Y202 PolarHBondContact O-OH 2.81Å; S176-Y202 VanDerWaalsContact CB-OH 3.24Å; S176-Y202 WeakPolarHBondContact CB-OH 3.39Å; P200-Y202 PolarHBondContact O-N 3.05Å; Y202-W215 HydrophobicContact CD1-CB 4.35Å; Y202-W215 WeakPolarHBondContact CD1-O 3.5Å; Y202-W215 HydrophobicContact CE1-CB 3.8Å; Y202-W215 HydrophobicContact CE2-CB 4.15Å; Y202-W215 PolarHBondContact N-O 3.35Å; Y202-Y216 VanDerWaalsContact CE1-C 3.47Å; Y202-R217 HydrophobicContact CD1-CG 3.83Å; Y202-R217 HydrophobicContact CE1-CG 4.07Å
203R89.9Confident82.9Confident9 Ų975.8 Ų75.83%0.03444%0.442CS..EExtended strand (participates in β ladder)trans-146.1147.1173.2-177.5-172.7-59.6-71.4-6.2109.5S176 E190 W215S176-R203 PolarHBondContact OG-NE 3.1Å; S176-R203 PolarHBondContact OG-NH2 2.85Å; S176-R203 VanDerWaalsContact OG-NH2 3.08Å; E190-R203 IonicContact OE1-CZ 3.79Å; E190-R203 IonicContact OE1-NH1 3.21Å; E190-R203 IonicContact OE1-NH2 3.74Å; E190-R203 PolarHBondContact OE1-NH2 3.14Å; R203-W215 HydrophobicContact CB-CB 3.98Å; R203-W215 HydrophobicContact CB-CD2 4.1Å; R203-W215 HydrophobicContact CB-CE3 3.88Å; R203-W215 HydrophobicContact CB-CG 4.16Å; R203-W215 HydrophobicContact CG-CD2 4.08Å; R203-W215 HydrophobicContact CG-CE3 3.68Å; R203-W215 HydrophobicContact CG-CZ3 4.08Å; R203-W215 PolarHBondContact O-N 2.9Å
204R91.6Very high85Confident117 Ų11765.8 Ų65.844%0.44241%0.406SS..EExtended strand (participates in β ladder)trans-137156.9173.5-67.2175.7177.3-110.20.3110.3Q189 D199 A201 V213Q189-R204 VanDerWaalsContact O-O 3.12Å; D199-R204 IonicContact OD1-CZ 3.74Å; D199-R204 IonicContact OD1-NE 2.8Å; D199-R204 IonicContact OD1-NH2 3.5Å; D199-R204 PolarHBondContact OD1-NH2 3.2Å; D199-R204 IonicContact OD2-CZ 3.5Å; D199-R204 IonicContact OD2-NE 2.62Å; D199-R204 PolarHBondContact OD2-NE 3.04Å; D199-R204 VanDerWaalsContact OD2-NE 3.13Å; D199-R204 IonicContact OD2-NH2 3.95Å; D199-R204 PolarHBondContact OD2-NH2 3.33Å; A201-R204 HydrophobicContact CB-CG 4.35Å; R204-V213 CarbonylContact C-O 3.59Å; R204-V213 WeakPolarHBondContact CA-O 3.22Å
205G91.8Very high86.9Confident17 Ų1757.4 Ų57.418%0.17537%0.367CS..EExtended strand (participates in β ladder)trans-168.5179.7174.100000110.8V213G205-V213 PolarHBondContact N-O 3.43Å; G205-V213 PolarHBondContact O-N 3.31Å
206E94.3Very high88.8Confident119 Ų11951.5 Ų51.556%0.55633%0.328SS*.EExtended strand (participates in β ladder)trans-137.1134.4-179.6-167.1176.1133.400108.7T184 G210T184-E206 WeakPolarHBondContact CA-O 3.33Å; T184-E206 WeakPolarHBondContact CB-O 3.38Å; T184-E206 WeakPolarHBondContact CG2-O 3.41Å; E206-G210 VanDerWaalsContact OE1-CA 3.31Å; E206-G210 WeakPolarHBondContact OE1-CA 3.32Å
207T94Very high90Very high14 Ų1451.1 Ų51.19%0.08632%0.32CS..  trans-72.8163.4177.664.70000110.6L149 L183 A209 G210 V211 V213L149-T207 HydrophobicContact CD1-CG2 3.63Å; L183-T207 WeakPolarHBondContact O-CA 3.47Å; L183-T207 WeakPolarHBondContact O-CB 3.38Å; L183-T207 VanDerWaalsContact O-CG2 3.23Å; L183-T207 WeakPolarHBondContact O-CG2 3.43Å; T207-A209 PolarHBondContact O-N 3.42Å; T207-G210 PolarHBondContact O-N 3.01Å; T207-V211 HydrophobicContact CG2-CB 4.35Å; T207-V211 PolarHBondContact N-O 3.38Å; T207-V211 WeakPolarHBondContact OG1-CB 3.34Å; T207-V211 PolarHBondContact OG1-N 3.05Å; T207-V211 PolarHBondContact OG1-O 2.96Å; T207-V213 HydrophobicContact CG2-CG2 3.61Å
208A89.6Confident91.3Very high114 Ų11450.2 Ų50.294%0.94230%0.304SS*.THydrogen-bonded Turntrans-58.1-18.817500000114
209A88.8Confident92.3Very high83 Ų8346.5 Ų46.569%0.68627%0.272SS*.THydrogen-bonded Turntrans-92.25.9176.400000113.6T207T207-A209 PolarHBondContact O-N 3.42Å
210G91.4Very high93Very high40 Ų4050 Ų5041%0.41229%0.287SS..SBendtrans80.113.9179.800000115E206 T207E206-G210 VanDerWaalsContact OE1-CA 3.31Å; E206-G210 WeakPolarHBondContact OE1-CA 3.32Å; T207-G210 PolarHBondContact O-N 3.01Å
211V95.2Very high93.3Very high26 Ų2649.7 Ų49.716%0.15828%0.282CS..  trans-84.5122.1177.6-177.50000109.2L149 V164 V166 T207L149-V211 HydrophobicContact CD2-CB 4.43Å; L149-V211 HydrophobicContact CD2-CG1 4.16Å; L149-V211 HydrophobicContact CD2-CG2 4.41Å; V164-V211 HydrophobicContact CG1-CG1 4.34Å; V166-V211 HydrophobicContact CG2-CG1 4Å; T207-V211 HydrophobicContact CG2-CB 4.35Å; T207-V211 PolarHBondContact N-O 3.38Å; T207-V211 WeakPolarHBondContact OG1-CB 3.34Å; T207-V211 PolarHBondContact OG1-N 3.05Å; T207-V211 PolarHBondContact OG1-O 2.96Å
212P96.6Very high93.5Very high57 Ų5749.6 Ų49.637%0.3728%0.281SS..EExtended strand (participates in β ladder)trans-70.5140.4177.928.8-34.5000111.2V166V166-P212 PolarHBondContact N-O 3.01Å
213V97.3Very high93.8Very high1 Ų150.2 Ų50.21%0.00629%0.29CS..EExtended strand (participates in β ladder)trans-123.9131.8179-167.50000109.1V166 L168 L183 T184 R204 G205 T207 W215V166-V213 HydrophobicContact CB-CB 4.38Å; V166-V213 HydrophobicContact CB-CG1 4.06Å; V166-V213 HydrophobicContact CB-CG2 4.16Å; V166-V213 HydrophobicContact CG1-CG1 3.86Å; V166-V213 CarbonylContact O-C 3.58Å; V166-V213 WeakPolarHBondContact O-CA 3.35Å; L168-V213 HydrophobicContact CD1-CG1 4.07Å; L168-V213 HydrophobicContact CG-CG1 4.32Å; L183-V213 HydrophobicContact CD1-CG1 4.37Å; T184-V213 HydrophobicContact CG2-CB 4.43Å; T184-V213 HydrophobicContact CG2-CG2 4.11Å; R204-V213 CarbonylContact C-O 3.59Å; R204-V213 WeakPolarHBondContact CA-O 3.22Å; G205-V213 PolarHBondContact N-O 3.43Å; G205-V213 PolarHBondContact O-N 3.31Å; T207-V213 HydrophobicContact CG2-CG2 3.61Å; V213-W215 HydrophobicContact CB-CH2 3.73Å; V213-W215 HydrophobicContact CB-CZ3 3.69Å; V213-W215 HydrophobicContact CG1-CD2 4.45Å; V213-W215 HydrophobicContact CG1-CE3 4.04Å; V213-W215 HydrophobicContact CG1-CH2 3.29Å; V213-W215 HydrophobicContact CG1-CZ2 3.73Å; V213-W215 HydrophobicContact CG1-CZ3 3.47Å; V213-W215 VanDerWaalsContact CG1-CZ3 3.47Å
214S96.3Very high94.1Very high11 Ų1153.3 Ų53.38%0.07732%0.318CS..EExtended strand (participates in β ladder)trans-130.9140.9178-59.90000110.8V166 H167 L168 Y216V166-S214 PolarHBondContact O-N 3.46Å; H167-S214 CarbonylContact C-O 3.46Å; H167-S214 WeakPolarHBondContact CA-O 3.25Å; L168-S214 PolarHBondContact N-O 2.82Å; S214-Y216 WeakPolarHBondContact CB-OH 3.44Å
215W95.6Very high94.4Very high0 Ų048.8 Ų48.80%031%0.307CS..EExtended strand (participates in β ladder)trans-113139.4178.9-67.5-109.5000111.5L168 Q179 A180 T184 A201 Y202 R203 V213L168-W215 HydrophobicContact CB-CG 4.2Å; L168-W215 HydrophobicContact CD1-CD2 4.46Å; L168-W215 HydrophobicContact CD1-CZ2 3.9Å; L168-W215 CarbonylContact O-C 3.55Å; L168-W215 VanDerWaalsContact O-CA 3.29Å; L168-W215 WeakPolarHBondContact O-CA 3.4Å; Q179-W215 HydrophobicContact CB-CZ2 4.23Å; Q179-W215 VanDerWaalsContact OE1-CD1 3.31Å; A180-W215 HydrophobicContact CB-CH2 4.02Å; A180-W215 HydrophobicContact CB-CZ2 3.94Å; T184-W215 HydrophobicContact CG2-CH2 4.14Å; A201-W215 CarbonylContact C-O 3.57Å; A201-W215 VanDerWaalsContact CA-O 3.28Å; A201-W215 WeakPolarHBondContact CA-O 3.46Å; Y202-W215 HydrophobicContact CD1-CB 4.35Å; Y202-W215 WeakPolarHBondContact CD1-O 3.5Å; Y202-W215 HydrophobicContact CE1-CB 3.8Å; Y202-W215 HydrophobicContact CE2-CB 4.15Å; Y202-W215 PolarHBondContact N-O 3.35Å; R203-W215 HydrophobicContact CB-CB 3.98Å; R203-W215 HydrophobicContact CB-CD2 4.1Å; R203-W215 HydrophobicContact CB-CE3 3.88Å; R203-W215 HydrophobicContact CB-CG 4.16Å; R203-W215 HydrophobicContact CG-CD2 4.08Å; R203-W215 HydrophobicContact CG-CE3 3.68Å; R203-W215 HydrophobicContact CG-CZ3 4.08Å; R203-W215 PolarHBondContact O-N 2.9Å; V213-W215 HydrophobicContact CB-CH2 3.73Å; V213-W215 HydrophobicContact CB-CZ3 3.69Å; V213-W215 HydrophobicContact CG1-CD2 4.45Å; V213-W215 HydrophobicContact CG1-CE3 4.04Å; V213-W215 HydrophobicContact CG1-CH2 3.29Å; V213-W215 HydrophobicContact CG1-CZ2 3.73Å; V213-W215 HydrophobicContact CG1-CZ3 3.47Å; V213-W215 VanDerWaalsContact CG1-CZ3 3.47Å
216Y94.9Very high94.6Very high4 Ų449.3 Ų49.32%0.01631%0.305CS..EExtended strand (participates in β ladder)trans-130.9150.1-175.1-55.5-85.5000110.5H167 L168 V169 E170 P200 A201 Y202 S214 H218 D221 V222 P223H167-Y216 HydrophobicContact CB-CD2 4.26Å; H167-Y216 HydrophobicContact CB-CE2 3.73Å; H167-Y216 AromaticContact CG-CE2 3.94Å; H167-Y216 AromaticContact ND1-CE2 3.36Å; H167-Y216 WeakPolarHBondContact ND1-CE2 3.47Å; H167-Y216 AromaticContact ND1-CZ 3.61Å; H167-Y216 PolarHBondContact ND1-OH 3.47Å; L168-Y216 PolarHBondContact O-N 3.17Å; V169-Y216 CarbonylContact C-O 3.54Å; V169-Y216 WeakPolarHBondContact CA-O 3.06Å; E170-Y216 PolarHBondContact N-O 3.39Å; P200-Y216 HydrophobicContact CG-CE1 4.39Å; A201-Y216 HydrophobicContact CB-CD1 4.2Å; A201-Y216 HydrophobicContact CB-CE1 3.68Å; Y202-Y216 VanDerWaalsContact CE1-C 3.47Å; S214-Y216 WeakPolarHBondContact CB-OH 3.44Å; Y216-H218 WeakPolarHBondContact CB-O 3.38Å; Y216-D221 HydrophobicContact CD1-CB 3.65Å; Y216-D221 WeakPolarHBondContact CE1-O 3.48Å; Y216-D221 HydrophobicContact CG-CB 4.23Å; Y216-V222 HydrophobicContact CD2-CG2 3.78Å; Y216-V222 HydrophobicContact CE2-CG2 4.23Å; Y216-V222 HydrophobicContact CG-CG2 4.06Å; Y216-P223 VanDerWaalsContact OH-CD 3.23Å; Y216-P223 WeakPolarHBondContact OH-CD 3.38Å
217R91Very high94.8Very high83 Ų8343.7 Ų43.731%0.31328%0.279SS..SBendtrans-81.6-34.5174.4-64-58.3-169.1178.814.2111.3E170 V171 Y202E170-R217 PolarHBondContact O-NH1 3.43Å; V171-R217 PolarHBondContact O-NH1 3.27Å; Y202-R217 HydrophobicContact CD1-CG 3.83Å; Y202-R217 HydrophobicContact CE1-CG 4.07Å
218H93.5Very high95.1Very high110 Ų11043 Ų4351%0.50928%0.275SS..SBendtrans-124.9154.2-176.4-53-70.4000110.6Y216 E220 D221Y216-H218 WeakPolarHBondContact CB-O 3.38Å; H218-E220 VanDerWaalsContact C-N 3.27Å; H218-E220 WeakPolarHBondContact CB-OE2 3.39Å; H218-E220 PolarHBondContact O-N 2.99Å; H218-D221 WeakPolarHBondContact CB-OD2 3.48Å; H218-D221 IonicContact CD2-OD2 3.81Å; H218-D221 IonicContact CG-OD2 3.62Å; H218-D221 PolarHBondContact N-OD2 3.42Å; H218-D221 WeakPolarHBondContact O-CB 3.41Å; H218-D221 PolarHBondContact O-N 3.17Å
219L96.3Very high95.5Very high10 Ų1037.7 Ų37.75%0.05223%0.23CC..G310 helixtrans-69.6-31.6178.8175.560.6000111.1V135 L137 V169 D221 V222 F229 I299 L302 L303V135-L219 HydrophobicContact CG1-CD1 4.29Å; L137-L219 HydrophobicContact CD1-CD1 4.36Å; L137-L219 HydrophobicContact CD2-CD2 4.31Å; V169-L219 HydrophobicContact CG2-CD1 4.19Å; L219-D221 PolarHBondContact O-N 2.92Å; L219-V222 HydrophobicContact CD1-CG2 4.23Å; L219-V222 WeakPolarHBondContact O-CB 3.49Å; L219-V222 WeakPolarHBondContact O-CG2 3.38Å; L219-V222 PolarHBondContact O-N 3.47Å; L219-V222 VanDerWaalsContact O-N 3.13Å; L219-F229 HydrophobicContact CD1-CD1 4.22Å; L219-F229 HydrophobicContact CD1-CE1 3.99Å; L219-I299 HydrophobicContact CD2-CG2 4.18Å; L219-L302 HydrophobicContact CB-CD2 4.05Å; L219-L302 HydrophobicContact CD2-CD2 3.78Å; L219-L302 HydrophobicContact CD2-CG 4.07Å; L219-L302 HydrophobicContact CG-CD2 3.81Å; L219-L302 HydrophobicContact CG-CG 4.41Å; L219-L303 HydrophobicContact CD2-CD2 3.76Å; L219-L303 HydrophobicContact CD2-CG 4.05Å
220E95.3Very high96Very high129 Ų12933.8 Ų33.860%0.60320%0.198SC*.G310 helixtrans-58.6-30177.7-67.479.517800112.5H218 V222 L302H218-E220 VanDerWaalsContact C-N 3.27Å; H218-E220 WeakPolarHBondContact CB-OE2 3.39Å; H218-E220 PolarHBondContact O-N 2.99Å; E220-V222 VanDerWaalsContact C-N 3.28Å; E220-V222 PolarHBondContact O-N 2.73Å; E220-L302 VanDerWaalsContact CD-CD2 3.48Å; E220-L302 HydrophobicContact CG-CD2 3.69Å; E220-L302 WeakPolarHBondContact OE1-CD2 3.43Å
221D95Very high96.3Very high49 Ų4932 Ų3226%0.26218%0.179SC..G310 helixtrans-76.1-17-179.1-62.9-30.1000112.8P200 Y216 H218 L219 P223P200-D221 HydrophobicContact CB-CB 3.76Å; P200-D221 HydrophobicContact CG-CB 4.02Å; Y216-D221 HydrophobicContact CD1-CB 3.65Å; Y216-D221 WeakPolarHBondContact CE1-O 3.48Å; Y216-D221 HydrophobicContact CG-CB 4.23Å; H218-D221 WeakPolarHBondContact CB-OD2 3.48Å; H218-D221 IonicContact CD2-OD2 3.81Å; H218-D221 IonicContact CG-OD2 3.62Å; H218-D221 PolarHBondContact N-OD2 3.42Å; H218-D221 WeakPolarHBondContact O-CB 3.41Å; H218-D221 PolarHBondContact O-N 3.17Å; L219-D221 PolarHBondContact O-N 2.92Å; D221-P223 WeakPolarHBondContact O-CD 3.36Å
222V96.6Very high96.4Very high3 Ų331.3 Ų31.32%0.01817%0.174CC..SBendtrans-67.4125179.2-179.50000109.1V135 H167 V169 Y216 L219 E220 R306V135-V222 HydrophobicContact CG1-CG1 4.38Å; V135-V222 HydrophobicContact CG1-CG2 4.3Å; V135-V222 HydrophobicContact CG2-CG1 4.13Å; H167-V222 HydrophobicContact CB-CG1 3.88Å; H167-V222 HydrophobicContact CB-CG2 4.46Å; V169-V222 HydrophobicContact CG2-CG2 3.89Å; Y216-V222 HydrophobicContact CD2-CG2 3.78Å; Y216-V222 HydrophobicContact CE2-CG2 4.23Å; Y216-V222 HydrophobicContact CG-CG2 4.06Å; L219-V222 HydrophobicContact CD1-CG2 4.23Å; L219-V222 WeakPolarHBondContact O-CB 3.49Å; L219-V222 WeakPolarHBondContact O-CG2 3.38Å; L219-V222 PolarHBondContact O-N 3.47Å; L219-V222 VanDerWaalsContact O-N 3.13Å; E220-V222 VanDerWaalsContact C-N 3.28Å; E220-V222 PolarHBondContact O-N 2.73Å; V222-R306 PolarHBondContact O-NH1 3.2Å
223P95.9Very high96.3Very high58 Ų5830.1 Ų30.138%0.37716%0.164SC..PPolyproline II helixtrans-54.1142.7-176.5-27.533.8000113.1Q133 Y216 D221 R306Q133-P223 PolarHBondContact NE2-O 2.96Å; Q133-P223 PolarHBondContact OE1-O 3.46Å; Q133-P223 VanDerWaalsContact OE1-O 3.05Å; Y216-P223 VanDerWaalsContact OH-CD 3.23Å; Y216-P223 WeakPolarHBondContact OH-CD 3.38Å; D221-P223 WeakPolarHBondContact O-CD 3.36Å; P223-R306 PolarHBondContact O-NH1 3.46Å; P223-R306 PolarHBondContact O-NH2 2.89Å
224A96.1Very high96.2Very high75 Ų7531.9 Ų31.962%0.6217%0.171SC*.SBendtrans-61137.717500000111.6Q310A224-Q310 HydrophobicContact CB-CG 4.46Å
225G96.3Very high96.3Very high21 Ų2131.7 Ų31.722%0.21617%0.169CC..SBendtrans167.7173.7179.900000112.1S227 Q310G225-S227 PolarHBondContact O-N 3.15Å; G225-S227 PolarHBondContact O-OG 3.33Å; G225-S227 VanDerWaalsContact O-OG 3.09Å; G225-Q310 WeakPolarHBondContact O-CB 3.43Å
226F97.7Very high96.3Very high28 Ų2832.6 Ų32.612%0.12317%0.174CC..SBendtrans-65.8115.8171.2-178.4-86.7000109A126 P129 L132 Q133 I228 G312A126-F226 HydrophobicContact CB-CE2 3.43Å; A126-F226 VanDerWaalsContact CB-CE2 3.43Å; A126-F226 HydrophobicContact CB-CZ 3.39Å; P129-F226 HydrophobicContact CB-CB 4.45Å; P129-F226 HydrophobicContact CB-CG 4.25Å; P129-F226 HydrophobicContact CG-CB 4.28Å; P129-F226 HydrophobicContact CG-CD1 3.54Å; P129-F226 HydrophobicContact CG-CD2 3.79Å; P129-F226 HydrophobicContact CG-CE1 3.73Å; P129-F226 HydrophobicContact CG-CE2 3.94Å; P129-F226 HydrophobicContact CG-CG 3.58Å; P129-F226 HydrophobicContact CG-CZ 3.92Å; L132-F226 HydrophobicContact CD1-CD1 3.88Å; L132-F226 HydrophobicContact CD1-CE1 3.86Å; Q133-F226 PolarHBondContact N-O 3.5Å; F226-I228 HydrophobicContact CE1-CG1 4.21Å; F226-G312 VanDerWaalsContact CE2-CA 3.45Å
227S98.4Very high96.2Very high1 Ų133.4 Ų33.41%0.00718%0.181CC..EExtended strand (participates in β ladder)trans-126.7142.9-173.1-47.30000111.4Q133 G225 F229 R306 G312 A313Q133-S227 CarbonylContact O-C 3.45Å; Q133-S227 VanDerWaalsContact O-CA 3.32Å; Q133-S227 WeakPolarHBondContact O-CA 3.45Å; Q133-S227 PolarHBondContact OE1-OG 3.13Å; G225-S227 PolarHBondContact O-N 3.15Å; G225-S227 PolarHBondContact O-OG 3.33Å; G225-S227 VanDerWaalsContact O-OG 3.09Å; S227-F229 VanDerWaalsContact CB-CE2 3.43Å; S227-R306 PolarHBondContact OG-NH2 2.64Å; S227-G312 WeakPolarHBondContact O-CA 3.32Å; S227-A313 PolarHBondContact O-N 3.1Å
228I98.6Very high96.5Very high0 Ų030.1 Ų30.10%017%0.17CC..EExtended strand (participates in β ladder)trans-108.6114163.5-59.8179.9000107.6W118 M119 E122 W123 L132 Q133 V135 F226 A313W118-I228 HydrophobicContact CE3-CG2 4.42Å; W118-I228 HydrophobicContact CH2-CG2 3.93Å; W118-I228 HydrophobicContact CZ3-CG2 3.47Å; W118-I228 VanDerWaalsContact CZ3-CG2 3.47Å; M119-I228 HydrophobicContact CB-CD1 4.11Å; M119-I228 HydrophobicContact CB-CG2 4.24Å; M119-I228 HydrophobicContact CG-CG2 3.8Å; M119-I228 WeakPolarHBondContact O-CD1 3.34Å; E122-I228 HydrophobicContact CB-CD1 4.14Å; W123-I228 HydrophobicContact CB-CD1 4Å; L132-I228 HydrophobicContact CD1-CD1 3.91Å; L132-I228 HydrophobicContact CD1-CG1 3.91Å; Q133-I228 PolarHBondContact O-N 3.07Å; V135-I228 PolarHBondContact N-O 2.88Å; F226-I228 HydrophobicContact CE1-CG1 4.21Å; I228-A313 CarbonylContact C-O 3.58Å; I228-A313 WeakPolarHBondContact CA-O 3.28Å
229F98.8Very high96.7Very high2 Ų225.4 Ų25.41%0.00915%0.149CC..EExtended strand (participates in β ladder)trans-95.2139.2-178.2-54.4-90.5000110.9V135 L137 L219 S227 L303 R306 I307 A313 A314 L315V135-F229 HydrophobicContact CB-CD1 3.49Å; V135-F229 VanDerWaalsContact CB-CD1 3.49Å; V135-F229 HydrophobicContact CB-CE1 3.9Å; V135-F229 HydrophobicContact CB-CG 4.28Å; V135-F229 HydrophobicContact CG1-CD1 3.63Å; V135-F229 HydrophobicContact CG1-CE1 3.92Å; V135-F229 HydrophobicContact CG2-CD1 3.92Å; V135-F229 HydrophobicContact CG2-CE1 3.82Å; V135-F229 CarbonylContact O-C 3.59Å; V135-F229 VanDerWaalsContact O-CA 3.29Å; V135-F229 WeakPolarHBondContact O-CA 3.36Å; L137-F229 HydrophobicContact CD1-CD1 4.49Å; L219-F229 HydrophobicContact CD1-CD1 4.22Å; L219-F229 HydrophobicContact CD1-CE1 3.99Å; S227-F229 VanDerWaalsContact CB-CE2 3.43Å; F229-L303 HydrophobicContact CB-CD2 3.8Å; F229-L303 HydrophobicContact CD1-CD2 3.48Å; F229-L303 VanDerWaalsContact CD1-CD2 3.48Å; F229-L303 HydrophobicContact CD2-CD2 3.87Å; F229-L303 HydrophobicContact CE1-CD2 3.99Å; F229-L303 HydrophobicContact CE2-CD2 4.31Å; F229-L303 HydrophobicContact CG-CD2 3.44Å; F229-L303 VanDerWaalsContact CG-CD2 3.44Å; F229-L303 HydrophobicContact CZ-CD2 4.37Å; F229-R306 HydrophobicContact CE2-CB 4.2Å; F229-R306 HydrophobicContact CZ-CB 4Å; F229-R306 HydrophobicContact CZ-CG 4.36Å; F229-I307 HydrophobicContact CD2-CG1 4.41Å; F229-I307 HydrophobicContact CE2-CG1 4.25Å; F229-A313 WeakPolarHBondContact CD2-O 3.44Å; F229-A313 PolarHBondContact N-O 2.99Å; F229-A314 HydrophobicContact CB-CB 3.88Å; F229-A314 HydrophobicContact CD2-CB 4.41Å; F229-A314 CarbonylContact O-C 3.52Å; F229-A314 VanDerWaalsContact O-CA 3.29Å; F229-A314 WeakPolarHBondContact O-CA 3.17Å; F229-L315 PolarHBondContact O-N 2.82Å
230V98.7Very high96.7Very high2 Ų225.3 Ų25.31%0.01215%0.149CC..EExtended strand (participates in β ladder)trans-130133.7168.8175.70000109.7L115 W118 M119 V135 E136 L137 L144 H232 L315L115-V230 HydrophobicContact CD2-CG1 4.32Å; W118-V230 HydrophobicContact CZ3-CG2 4.29Å; M119-V230 HydrophobicContact CE-CB 4.17Å; M119-V230 HydrophobicContact CE-CG2 3.29Å; V135-V230 PolarHBondContact O-N 3.11Å; E136-V230 WeakPolarHBondContact CA-O 3.23Å; L137-V230 PolarHBondContact N-O 3.1Å; L144-V230 HydrophobicContact CD2-CG1 3.95Å; V230-H232 HydrophobicContact CG1-CB 4.35Å; V230-L315 WeakPolarHBondContact CA-O 3.37Å; V230-L315 HydrophobicContact CG2-CB 4.31Å
231A98.4Very high96.9Very high2 Ų220.6 Ų20.62%0.01713%0.127CC..EExtended strand (participates in β ladder)trans-129.9103.5171.800000107.1L137 F234 F235 L315 I316 A317L137-A231 HydrophobicContact CB-CB 4.14Å; L137-A231 HydrophobicContact CD2-CB 4.49Å; A231-F234 HydrophobicContact CB-CB 4.13Å; A231-F234 HydrophobicContact CB-CD1 4.19Å; A231-F234 HydrophobicContact CB-CG 4.42Å; A231-F235 HydrophobicContact CB-CD2 4.08Å; A231-F235 HydrophobicContact CB-CE2 3.65Å; A231-L315 PolarHBondContact N-O 3.07Å; A231-I316 WeakPolarHBondContact O-CA 3.47Å; A231-A317 PolarHBondContact O-N 2.78Å
232H97.1Very high97Very high12 Ų1218.9 Ų18.96%0.05612%0.117CC..EExtended strand (participates in β ladder)trans-117.3120.6-177.6173.4-108.6000109P105 F111 L144 V230 F234 A317 F420P105-H232 WeakPolarHBondContact CD-CE1 3.36Å; F111-H232 AromaticContact CZ-CD2 3.64Å; F111-H232 AromaticContact CZ-NE2 3.69Å; L144-H232 HydrophobicContact CD2-CB 4.07Å; V230-H232 HydrophobicContact CG1-CB 4.35Å; H232-F234 VanDerWaalsContact C-N 3.29Å; H232-F234 PolarHBondContact O-N 3.35Å; H232-A317 WeakPolarHBondContact CA-O 3.4Å; H232-F420 AromaticContact NE2-CE1 3.93Å
233E95.2Very high97.1Very high32 Ų3218.8 Ų18.815%0.1512%0.116CC..SBendtrans51.349.9-173.7-65.2-179.1-117.200111.4T103 S104 A317 F420T103-E233 WeakPolarHBondContact CA-OE1 3.33Å; T103-E233 WeakPolarHBondContact CB-OE1 3.32Å; S104-E233 PolarHBondContact N-OE1 3.01Å; E233-A317 PolarHBondContact N-O 2.89Å; E233-F420 VanDerWaalsContact CD-CZ 3.5Å; E233-F420 HydrophobicContact CG-CE1 3.45Å; E233-F420 VanDerWaalsContact CG-CE1 3.45Å; E233-F420 HydrophobicContact CG-CZ 3.76Å; E233-F420 WeakPolarHBondContact OE1-CZ 3.16Å
234F95.6Very high97.2Very high37 Ų3718.9 Ų18.916%0.16211%0.112CC..  trans-118.3-39.5-176.4171.6-99.4000111.7L137 A231 H232 L238 I299 D318L137-F234 HydrophobicContact CB-CD1 4.11Å; L137-F234 HydrophobicContact CB-CD2 4.02Å; L137-F234 HydrophobicContact CB-CE1 4.2Å; L137-F234 HydrophobicContact CB-CE2 4.1Å; L137-F234 HydrophobicContact CB-CG 4.03Å; L137-F234 HydrophobicContact CB-CZ 4.19Å; L137-F234 HydrophobicContact CD2-CD1 4.2Å; L137-F234 HydrophobicContact CD2-CE1 3.78Å; L137-F234 HydrophobicContact CD2-CZ 4.13Å; A231-F234 HydrophobicContact CB-CB 4.13Å; A231-F234 HydrophobicContact CB-CD1 4.19Å; A231-F234 HydrophobicContact CB-CG 4.42Å; H232-F234 VanDerWaalsContact C-N 3.29Å; H232-F234 PolarHBondContact O-N 3.35Å; F234-L238 HydrophobicContact CD1-CD1 4.49Å; F234-L238 HydrophobicContact CE1-CD1 4Å; F234-L238 HydrophobicContact CE1-CD2 4.38Å; F234-L238 HydrophobicContact CE1-CG 4.48Å; F234-L238 HydrophobicContact CZ-CD2 4.17Å; F234-I299 HydrophobicContact CE1-CD1 3.68Å; F234-I299 HydrophobicContact CZ-CD1 3.88Å; F234-D318 PolarHBondContact N-OD2 2.94Å
235F97.5Very high97.2Very high8 Ų821 Ų214%0.03510%0.104CC..SBendtrans-81.1-27.4-172.8-81.2-93.7000112.1A231 A237 L238 G296 I299 V300 I316 D318 V353 L358A231-F235 HydrophobicContact CB-CD2 4.08Å; A231-F235 HydrophobicContact CB-CE2 3.65Å; F235-A237 VanDerWaalsContact C-N 3.28Å; F235-A237 PolarHBondContact O-N 3Å; F235-L238 HydrophobicContact CD1-CD1 3.86Å; F235-L238 HydrophobicContact CE1-CD1 4.36Å; F235-L238 HydrophobicContact CG-CD1 4.38Å; F235-L238 WeakPolarHBondContact O-CB 3.37Å; F235-L238 PolarHBondContact O-N 2.9Å; F235-G296 WeakPolarHBondContact CE1-O 3.43Å; F235-I299 HydrophobicContact CE1-CB 4.46Å; F235-I299 HydrophobicContact CE1-CG2 4.41Å; F235-I299 HydrophobicContact CZ-CB 4.49Å; F235-I299 HydrophobicContact CZ-CG2 3.96Å; F235-V300 HydrophobicContact CE1-CG2 3.82Å; F235-V300 HydrophobicContact CZ-CG2 3.78Å; F235-I316 HydrophobicContact CD2-CG2 3.55Å; F235-I316 HydrophobicContact CE2-CB 4.42Å; F235-I316 HydrophobicContact CE2-CD1 3.96Å; F235-I316 HydrophobicContact CE2-CG1 3.96Å; F235-I316 HydrophobicContact CE2-CG2 3.63Å; F235-I316 HydrophobicContact CG-CG2 4.41Å; F235-I316 HydrophobicContact CZ-CD1 4.01Å; F235-I316 HydrophobicContact CZ-CG1 4.49Å; F235-D318 PolarHBondContact N-OD2 2.85Å; F235-V353 HydrophobicContact CB-CG1 4.28Å; F235-V353 HydrophobicContact CB-CG2 3.55Å; F235-L358 HydrophobicContact CD1-CD1 4.16Å; F235-L358 HydrophobicContact CD1-CD2 4.12Å; F235-L358 HydrophobicContact CE1-CD1 4.33Å; F235-L358 HydrophobicContact CE1-CD2 4.12Å; F235-L358 HydrophobicContact CG-CD1 4.41Å
236D95.7Very high97.2Very high18 Ų1822 Ų2210%0.09611%0.106CC..THydrogen-bonded Turntrans-69.4-25.817975.7-39.1000113.5M77 L238 D318 T350 A351 V353M77-D236 WeakPolarHBondContact CE-O 3.37Å; D236-L238 VanDerWaalsContact C-N 3.34Å; D236-D318 VanDerWaalsContact CB-OD1 3.31Å; D236-D318 WeakPolarHBondContact CB-OD1 3.22Å; D236-D318 PolarHBondContact N-OD2 3.12Å; D236-T350 WeakPolarHBondContact CB-OG1 3.22Å; D236-T350 WeakPolarHBondContact O-CA 3.45Å; D236-T350 PolarHBondContact OD2-OG1 2.81Å; D236-A351 VanDerWaalsContact CA-O 3.3Å; D236-A351 WeakPolarHBondContact CA-O 3.2Å; D236-A351 VanDerWaalsContact CB-O 3.3Å; D236-A351 WeakPolarHBondContact CB-O 3.24Å; D236-A351 PolarHBondContact O-N 2.91Å; D236-A351 VanDerWaalsContact O-N 3.1Å; D236-V353 HydrophobicContact CB-CG2 4.18Å
237A93.6Very high97.1Very high21 Ų2130.3 Ų30.317%0.17415%0.145CC..THydrogen-bonded Turntrans-83.6-5.2173.900000113.6L81 Y89 F235L81-A237 WeakPolarHBondContact CD1-O 3.4Å; Y89-A237 HydrophobicContact CE2-CB 4.4Å; F235-A237 VanDerWaalsContact C-N 3.28Å; F235-A237 PolarHBondContact O-N 3Å
238L95.9Very high96.9Very high15 Ų1538.5 Ų38.58%0.07918%0.181CC..SBendtrans-79.1144179.1-64.2179.7000111.6M77 F234 F235 D236 V240 C293 I299M77-L238 VanDerWaalsContact CE-O 3.3Å; M77-L238 WeakPolarHBondContact CE-O 3.36Å; F234-L238 HydrophobicContact CD1-CD1 4.49Å; F234-L238 HydrophobicContact CE1-CD1 4Å; F234-L238 HydrophobicContact CE1-CD2 4.38Å; F234-L238 HydrophobicContact CE1-CG 4.48Å; F234-L238 HydrophobicContact CZ-CD2 4.17Å; F235-L238 HydrophobicContact CD1-CD1 3.86Å; F235-L238 HydrophobicContact CE1-CD1 4.36Å; F235-L238 HydrophobicContact CG-CD1 4.38Å; F235-L238 WeakPolarHBondContact O-CB 3.37Å; F235-L238 PolarHBondContact O-N 2.9Å; D236-L238 VanDerWaalsContact C-N 3.34Å; L238-V240 PolarHBondContact O-N 3.26Å; L238-C293 WeakPolarHBondContact CB-SG 3.49Å; L238-I299 HydrophobicContact CD1-CD1 4Å
239P97.3Very high96.7Very high10 Ų1040 Ų407%0.06520%0.196CC..  trans-55127.5179.7-29.938000114.5S74 R78 C293S74-P239 WeakPolarHBondContact O-CB 3.31Å; S74-P239 WeakPolarHBondContact OG-CB 3.47Å; R78-P239 HydrophobicContact CB-CG 3.87Å; R78-P239 HydrophobicContact CG-CG 4.47Å; P239-C293 PolarHBondContact O-SG 3.38Å
240V98Very high96.7Very high9 Ų942 Ų426%0.05520%0.203CC..  trans-111136.2176.8-62.70000112.6V73 S74 M77 L238 V292 C293 F329 A351V73-V240 CarbonylContact C-O 3.59Å; S74-V240 WeakPolarHBondContact CA-O 3.34Å; S74-V240 WeakPolarHBondContact CB-O 3.39Å; S74-V240 PolarHBondContact N-O 2.99Å; M77-V240 HydrophobicContact SD-CG2 4.14Å; L238-V240 PolarHBondContact O-N 3.26Å; V240-V292 WeakPolarHBondContact CA-O 3.27Å; V240-C293 HydrophobicContact CG1-CB 4.06Å; V240-F329 HydrophobicContact CG2-CD2 4.37Å; V240-A351 HydrophobicContact CB-CB 4.42Å; V240-A351 HydrophobicContact CG1-CB 3.82Å; V240-A351 HydrophobicContact CG2-CB 3.76Å
241H98.6Very high96.6Very high30 Ų3042.9 Ų42.914%0.13921%0.206CC..EExtended strand (participates in β ladder)trans-82.5140.8162-69.1-97.7000109.4F243 E252 L280 E291 V292H241-F243 HydrophobicContact CB-CD2 4.43Å; H241-F243 HydrophobicContact CB-CE1 4.33Å; H241-F243 HydrophobicContact CB-CE2 3.51Å; H241-F243 HydrophobicContact CB-CZ 3.44Å; H241-F243 VanDerWaalsContact CB-CZ 3.44Å; H241-E252 IonicContact CE1-OE1 3.24Å; H241-E252 IonicContact CG-OE1 3.49Å; H241-E252 IonicContact ND1-OE1 3.3Å; H241-E252 PolarHBondContact ND1-OE1 2.94Å; H241-L280 HydrophobicContact CB-CD1 4.45Å; H241-E291 CarbonylContact O-C 3.44Å; H241-E291 VanDerWaalsContact O-CA 3.28Å; H241-E291 WeakPolarHBondContact O-CA 3.43Å; H241-V292 PolarHBondContact N-O 3Å; H241-V292 PolarHBondContact O-N 2.87Å
242K98.3Very high96.7Very high12 Ų1243.2 Ų43.25%0.05221%0.208CC..EExtended strand (participates in β ladder)trans-111.2130.9175.8-62.9-165.464.2168.50109.6V73 V253 E291 D327 F329V73-K242 HydrophobicContact CB-CB 4.5Å; V73-K242 HydrophobicContact CB-CD 4.34Å; V73-K242 HydrophobicContact CB-CG 4.03Å; V73-K242 HydrophobicContact CG1-CD 3.96Å; V73-K242 HydrophobicContact CG1-CG 3.95Å; V73-K242 HydrophobicContact CG2-CB 4.26Å; V73-K242 HydrophobicContact CG2-CD 4.05Å; V73-K242 HydrophobicContact CG2-CG 4.07Å; K242-V253 HydrophobicContact CB-CB 3.87Å; K242-V253 HydrophobicContact CB-CG2 4.1Å; K242-V253 PolarHBondContact O-N 3.46Å; K242-E291 VanDerWaalsContact CE-OE1 3.25Å; K242-E291 WeakPolarHBondContact CE-OE1 3.12Å; K242-E291 HydrophobicContact CG-CG 4.13Å; K242-E291 IonicContact NZ-OE1 2.7Å; K242-D327 IonicContact NZ-OD1 3.4Å; K242-D327 PolarHBondContact NZ-OD1 2.72Å; K242-D327 IonicContact NZ-OD2 3.9Å; K242-D327 PolarHBondContact NZ-OD2 2.87Å; K242-F329 HydrophobicContact CD-CB 3.84Å; K242-F329 HydrophobicContact CD-CD1 4.11Å; K242-F329 HydrophobicContact CD-CG 4.19Å
243F98.3Very high96.7Very high1 Ų143.3 Ų43.30%0.00421%0.209CC..EExtended strand (participates in β ladder)trans-126.4145.5178.8-54.4-75.4000111.5H241 W250 R251 E252 A276 S277 L280 V281 H289 V290 V292H241-F243 HydrophobicContact CB-CD2 4.43Å; H241-F243 HydrophobicContact CB-CE1 4.33Å; H241-F243 HydrophobicContact CB-CE2 3.51Å; H241-F243 HydrophobicContact CB-CZ 3.44Å; H241-F243 VanDerWaalsContact CB-CZ 3.44Å; F243-W250 HydrophobicContact CB-CE3 3.82Å; F243-W250 HydrophobicContact CB-CZ3 4.18Å; F243-R251 CarbonylContact C-O 3.47Å; F243-R251 VanDerWaalsContact CA-O 3.28Å; F243-R251 WeakPolarHBondContact CA-O 3.23Å; F243-E252 HydrophobicContact CD1-CB 3.92Å; F243-E252 HydrophobicContact CD1-CG 4.06Å; F243-E252 HydrophobicContact CE1-CB 3.87Å; F243-E252 HydrophobicContact CE1-CG 3.73Å; F243-A276 HydrophobicContact CE1-CB 4.06Å; F243-A276 HydrophobicContact CZ-CB 3.95Å; F243-S277 VanDerWaalsContact CE1-N 3.32Å; F243-L280 HydrophobicContact CE2-CB 4.12Å; F243-L280 HydrophobicContact CE2-CD1 4.46Å; F243-L280 HydrophobicContact CZ-CB 4.15Å; F243-L280 HydrophobicContact CZ-CD1 4.09Å; F243-V281 HydrophobicContact CB-CG2 3.85Å; F243-V281 HydrophobicContact CD1-CG2 4.01Å; F243-V281 HydrophobicContact CD2-CG2 3.46Å; F243-V281 VanDerWaalsContact CD2-CG2 3.46Å; F243-V281 HydrophobicContact CE1-CG2 4.47Å; F243-V281 HydrophobicContact CE2-CG2 3.94Å; F243-V281 HydrophobicContact CG-CG2 3.48Å; F243-V281 VanDerWaalsContact CG-CG2 3.48Å; F243-V281 HydrophobicContact CZ-CG2 4.42Å; F243-H289 CarbonylContact O-C 3.54Å; F243-H289 WeakPolarHBondContact O-CA 3.17Å; F243-V290 HydrophobicContact CB-CG1 3.89Å; F243-V290 HydrophobicContact CD2-CG1 4.06Å; F243-V290 HydrophobicContact CG-CG1 4.44Å; F243-V290 PolarHBondContact N-O 3.34Å; F243-V290 PolarHBondContact O-N 2.78Å; F243-V292 HydrophobicContact CD2-CG2 4.12Å; F243-V292 HydrophobicContact CE2-CB 4.11Å; F243-V292 HydrophobicContact CE2-CG2 3.98Å
244Q97.8Very high96.9Very high61 Ų6142.6 Ų42.629%0.28521%0.206SC..EExtended strand (participates in β ladder)trans-126.1134.6175.9179.5174.2-18.300110.1R251 V253 L269 S288 H289Q244-R251 PolarHBondContact N-O 2.99Å; Q244-R251 PolarHBondContact O-N 2.93Å; Q244-V253 HydrophobicContact CB-CG2 4.39Å; Q244-L269 HydrophobicContact CB-CD2 3.83Å; Q244-L269 HydrophobicContact CG-CD2 4.46Å; Q244-S288 CarbonylContact C-O 3.53Å; Q244-S288 WeakPolarHBondContact CA-O 3.29Å; Q244-H289 VanDerWaalsContact CD-NE2 3.3Å; Q244-H289 WeakPolarHBondContact CG-NE2 3.28Å; Q244-H289 PolarHBondContact OE1-NE2 2.98Å
245R96.6Very high97Very high119 Ų11940.9 Ų40.945%0.44920%0.199SC..EExtended strand (participates in β ladder)trans-79.9128.7175.5-167.4169.869.4-162.3-1.5109.8W250 G286 R287 S288R245-W250 HydrophobicContact CB-CD2 4.15Å; R245-W250 HydrophobicContact CB-CE3 3.97Å; R245-W250 HydrophobicContact CB-CH2 3.88Å; R245-W250 HydrophobicContact CB-CZ2 4.02Å; R245-W250 HydrophobicContact CB-CZ3 3.84Å; R245-W250 HydrophobicContact CG-CD2 4.48Å; R245-W250 HydrophobicContact CG-CZ2 4.32Å; R245-G286 PolarHBondContact NH1-O 3.29Å; R245-R287 PolarHBondContact NH1-O 2.85Å; R245-S288 PolarHBondContact N-O 3.21Å
246T96.3Very high97.1Very high42 Ų4242 Ų4226%0.25821%0.205SC..EExtended strand (participates in β ladder)trans-120.2171.6174.475.90000110.1K248 G249 R251T246-K248 PolarHBondContact O-N 2.95Å; T246-K248 PolarHBondContact OG1-N 3.42Å; T246-G249 WeakPolarHBondContact CB-O 3.37Å; T246-G249 PolarHBondContact N-O 2.93Å; T246-G249 PolarHBondContact O-N 2.94Å; T246-G249 PolarHBondContact OG1-O 3.3Å; T246-R251 HydrophobicContact CG2-CB 4.27Å; T246-R251 HydrophobicContact CG2-CG 3.77Å
247E95.3Very high97.1Very high203 Ų20342.1 Ų42.195%0.94921%0.206SC*.THydrogen-bonded Turntrans-57.1-28.3172.1-63.5178.2176.600112.7G249E247-G249 VanDerWaalsContact C-N 3.35Å
248K93.4Very high97.1Very high172 Ų17243.1 Ų43.175%0.74821%0.208SC*.THydrogen-bonded Turntrans-97.122.2179.3-60.2-177.2-179.3178.70112.6T246 R251T246-K248 PolarHBondContact O-N 2.95Å; T246-K248 PolarHBondContact OG1-N 3.42Å; K248-R251 VanDerWaalsContact CB-NH2 3.28Å; K248-R251 PolarHBondContact O-NH1 3.1Å; K248-R251 PolarHBondContact O-NH2 3.32Å; K248-R251 VanDerWaalsContact O-NH2 3.17Å
249G95.1Very high97Very high31 Ų3147 Ų4732%0.3223%0.234SC..EExtended strand (participates in β ladder)trans91.6-167.8-178.600000114.1T246 E247T246-G249 WeakPolarHBondContact CB-O 3.37Å; T246-G249 PolarHBondContact N-O 2.93Å; T246-G249 PolarHBondContact O-N 2.94Å; T246-G249 PolarHBondContact OG1-O 3.3Å; E247-G249 VanDerWaalsContact C-N 3.35Å
250W97.8Very high96.7Very high44 Ų4451.6 Ų51.617%0.16727%0.266CS..EExtended strand (participates in β ladder)trans-69.5141.5-178.6-70.3101.5000112.2F243 R245 V281 E285 R287 V290F243-W250 HydrophobicContact CB-CE3 3.82Å; F243-W250 HydrophobicContact CB-CZ3 4.18Å; R245-W250 HydrophobicContact CB-CD2 4.15Å; R245-W250 HydrophobicContact CB-CE3 3.97Å; R245-W250 HydrophobicContact CB-CH2 3.88Å; R245-W250 HydrophobicContact CB-CZ2 4.02Å; R245-W250 HydrophobicContact CB-CZ3 3.84Å; R245-W250 HydrophobicContact CG-CD2 4.48Å; R245-W250 HydrophobicContact CG-CZ2 4.32Å; W250-V281 HydrophobicContact CD2-CG1 3.76Å; W250-V281 HydrophobicContact CD2-CG2 4.36Å; W250-V281 HydrophobicContact CE3-CG1 4.38Å; W250-V281 HydrophobicContact CG-CB 4.38Å; W250-V281 HydrophobicContact CG-CG1 3.97Å; W250-V281 HydrophobicContact CG-CG2 4.35Å; W250-V281 HydrophobicContact CZ2-CG1 3.97Å; W250-E285 HydrophobicContact CH2-CG 3.91Å; W250-E285 HydrophobicContact CZ2-CB 3.95Å; W250-E285 HydrophobicContact CZ2-CG 3.58Å; W250-R287 WeakPolarHBondContact CH2-O 3.27Å; W250-R287 WeakPolarHBondContact CZ2-O 3.28Å; W250-V290 HydrophobicContact CE3-CG1 4.46Å; W250-V290 HydrophobicContact CH2-CG1 4Å; W250-V290 HydrophobicContact CZ3-CG1 3.84Å
251R98.1Very high96.4Very high21 Ų2154 Ų548%0.07928%0.279CS..EExtended strand (participates in β ladder)trans-127.8142.5171.7-65.9-60.2-179.1-83.3-1.3109.1F243 Q244 T246 K248 L269 S270 G272F243-R251 CarbonylContact C-O 3.47Å; F243-R251 VanDerWaalsContact CA-O 3.28Å; F243-R251 WeakPolarHBondContact CA-O 3.23Å; Q244-R251 PolarHBondContact N-O 2.99Å; Q244-R251 PolarHBondContact O-N 2.93Å; T246-R251 HydrophobicContact CG2-CB 4.27Å; T246-R251 HydrophobicContact CG2-CG 3.77Å; K248-R251 VanDerWaalsContact CB-NH2 3.28Å; K248-R251 PolarHBondContact O-NH1 3.1Å; K248-R251 PolarHBondContact O-NH2 3.32Å; K248-R251 VanDerWaalsContact O-NH2 3.17Å; R251-L269 HydrophobicContact CB-CD2 4.28Å; R251-S270 WeakPolarHBondContact CD-O 3.42Å; R251-G272 VanDerWaalsContact CD-C 3.44Å; R251-G272 WeakPolarHBondContact CD-O 3.3Å
252E98.6Very high95.4Very high10 Ų1055.2 Ų55.25%0.04729%0.289CS..EExtended strand (participates in β ladder)trans-79.2138.6170.8-167.3170.7-171.400110.2S72 H241 F243 L254 S270 T274S72-E252 WeakPolarHBondContact CB-OE1 3.4Å; H241-E252 IonicContact CE1-OE1 3.24Å; H241-E252 IonicContact CG-OE1 3.49Å; H241-E252 IonicContact ND1-OE1 3.3Å; H241-E252 PolarHBondContact ND1-OE1 2.94Å; F243-E252 HydrophobicContact CD1-CB 3.92Å; F243-E252 HydrophobicContact CD1-CG 4.06Å; F243-E252 HydrophobicContact CE1-CB 3.87Å; F243-E252 HydrophobicContact CE1-CG 3.73Å; E252-L254 HydrophobicContact CB-CD2 4.2Å; E252-L254 HydrophobicContact CG-CD2 3.74Å; E252-S270 PolarHBondContact N-OG 3.45Å; E252-S270 WeakPolarHBondContact O-CB 3.49Å; E252-S270 PolarHBondContact O-N 2.75Å; E252-S270 PolarHBondContact O-OG 3.09Å; E252-T274 HydrophobicContact CB-CG2 3.89Å; E252-T274 VanDerWaalsContact OE2-CB 3.22Å; E252-T274 WeakPolarHBondContact OE2-CB 3.28Å; E252-T274 VanDerWaalsContact OE2-CG2 3.29Å; E252-T274 WeakPolarHBondContact OE2-CG2 3.37Å; E252-T274 PolarHBondContact OE2-OG1 3.36Å
253V98.6Very high94.8Very high13 Ų1355.9 Ų55.98%0.07930%0.3CS..EExtended strand (participates in β ladder)trans-85.2127.4168.5-176.30000107.8V73 K242 Q244 L267 V268 L269V73-V253 HydrophobicContact CG2-CG1 4.42Å; K242-V253 HydrophobicContact CB-CB 3.87Å; K242-V253 HydrophobicContact CB-CG2 4.1Å; K242-V253 PolarHBondContact O-N 3.46Å; Q244-V253 HydrophobicContact CB-CG2 4.39Å; V253-L267 HydrophobicContact CG1-CB 4.06Å; V253-L267 HydrophobicContact CG1-CD2 4.19Å; V253-L267 HydrophobicContact CG1-CG 4.48Å; V253-V268 CarbonylContact C-O 3.52Å; V253-V268 WeakPolarHBondContact CA-O 3.17Å; V253-L269 HydrophobicContact CG2-CD2 3.81Å
254L98.7Very high94.5Very high18 Ų1863.7 Ų63.79%0.09433%0.33CS..EExtended strand (participates in β ladder)trans-120.3160.8-175.3-53.3178.5000110.2P70 I71 E252 L267 V268P70-L254 HydrophobicContact CB-CB 3.73Å; P70-L254 HydrophobicContact CB-CD1 3.83Å; P70-L254 HydrophobicContact CB-CG 4.43Å; I71-L254 CarbonylContact O-C 3.58Å; I71-L254 VanDerWaalsContact O-CA 3.25Å; I71-L254 WeakPolarHBondContact O-CA 3.05Å; I71-L254 WeakPolarHBondContact O-CB 3.45Å; E252-L254 HydrophobicContact CB-CD2 4.2Å; E252-L254 HydrophobicContact CG-CD2 3.74Å; L254-L267 CarbonylContact O-C 3.56Å; L254-L267 WeakPolarHBondContact O-CA 3.46Å; L254-V268 HydrophobicContact CB-CG2 4.01Å; L254-V268 PolarHBondContact N-O 3.34Å; L254-V268 PolarHBondContact O-N 2.65Å
255V98.4Very high94.5Very high0 Ų061.5 Ų61.50%032%0.32CS..EExtended strand (participates in β ladder)trans-101.6124.8171.8-175.30000108.7I65 P70 I71 V73 Y76 L265 R266 L267 L341I65-V255 HydrophobicContact CD1-CG1 4.5Å; P70-V255 CarbonylContact C-O 3.17Å; P70-V255 WeakPolarHBondContact CA-O 3.42Å; I71-V255 HydrophobicContact CG1-CB 4.06Å; I71-V255 PolarHBondContact N-O 2.84Å; I71-V255 PolarHBondContact O-N 2.96Å; V73-V255 HydrophobicContact CG2-CG2 4.26Å; Y76-V255 HydrophobicContact CD1-CG2 4.24Å; Y76-V255 HydrophobicContact CD2-CG1 4.22Å; Y76-V255 HydrophobicContact CD2-CG2 4.38Å; Y76-V255 HydrophobicContact CG-CG2 3.87Å; V255-L265 HydrophobicContact CG1-CB 4.02Å; V255-L265 HydrophobicContact CG1-CD1 4.15Å; V255-L265 HydrophobicContact CG1-CD2 4.44Å; V255-L265 HydrophobicContact CG1-CG 4.43Å; V255-R266 WeakPolarHBondContact CA-O 3.46Å; V255-L267 HydrophobicContact CG2-CD2 3.98Å; V255-L341 HydrophobicContact CG1-CD2 4Å; V255-L341 HydrophobicContact CG2-CD2 4.3Å
256D98.1Very high94.5Very high32 Ų3260 Ų6017%0.17131%0.314CS..EExtended strand (participates in β ladder)trans-130168.1-178.9-170.523.4000110.9I65 P70 L265 R266 V268I65-D256 WeakPolarHBondContact CG2-OD1 3.48Å; P70-D256 HydrophobicContact CB-CB 4Å; P70-D256 HydrophobicContact CG-CB 3.97Å; D256-L265 CarbonylContact O-C 3.6Å; D256-L265 VanDerWaalsContact O-CA 3.31Å; D256-L265 WeakPolarHBondContact O-CA 3.38Å; D256-R266 HydrophobicContact CB-CG 4.4Å; D256-R266 PolarHBondContact N-O 3.31Å; D256-R266 PolarHBondContact O-N 3.22Å; D256-R266 IonicContact OD2-CZ 3.56Å; D256-R266 IonicContact OD2-NE 2.65Å; D256-R266 IonicContact OD2-NH2 2.94Å; D256-R266 PolarHBondContact OD2-NH2 3.02Å; D256-R266 VanDerWaalsContact OD2-NH2 3.1Å; D256-V268 HydrophobicContact CB-CG1 3.99Å; D256-V268 HydrophobicContact CB-CG2 3.75Å
257L96.9Very high94.6Very high21 Ų2161.6 Ų61.611%0.1132%0.32CS..EExtended strand (participates in β ladder)trans-73.8143.7168.8-57.3-174000110.4R62 I65 R66 P259 L265 R266R62-L257 HydrophobicContact CB-CD2 4.37Å; R62-L257 HydrophobicContact CG-CD2 3.73Å; I65-L257 HydrophobicContact CB-CD2 4.46Å; I65-L257 HydrophobicContact CB-CG 4.28Å; I65-L257 HydrophobicContact CD1-CD2 4.05Å; I65-L257 HydrophobicContact CG2-CD2 4.45Å; I65-L257 HydrophobicContact CG2-CG 3.86Å; R66-L257 HydrophobicContact CG-CD1 3.91Å; L257-P259 WeakPolarHBondContact O-CD 3.12Å; L257-L265 HydrophobicContact CD2-CD2 3.65Å; L257-R266 PolarHBondContact O-NE 3.44Å; L257-R266 VanDerWaalsContact O-NE 3.17Å
258D94Very high94.7Very high42 Ų4253.2 Ų53.223%0.22528%0.283CS..  trans-70.5125168.2-166.7-54000109.6S260 D261 R264D258-S260 PolarHBondContact O-N 3.08Å; D258-S260 WeakPolarHBondContact OD1-CA 3.41Å; D258-S260 WeakPolarHBondContact OD1-CB 3.31Å; D258-S260 PolarHBondContact OD1-N 3.4Å; D258-S260 PolarHBondContact OD1-OG 3.49Å; D258-D261 WeakPolarHBondContact CB-O 3.32Å; D258-D261 CarbonylContact O-C 3.56Å; D258-D261 PolarHBondContact O-N 2.98Å; D258-D261 PolarHBondContact OD1-N 3.42Å; D258-R264 HydrophobicContact CB-CB 4.05Å; D258-R264 PolarHBondContact N-O 3.05Å
259P91.9Very high95Very high97 Ų9748.4 Ų48.463%0.6327%0.265SS*.SBendtrans-63.6-27.7179.1-22.533.4000113.4L257L257-P259 WeakPolarHBondContact O-CD 3.12Å
260S92.8Very high95.1Very high105 Ų10547.3 Ų47.373%0.73425%0.253SS*.SBendtrans-84.7-27.7179.871.20000112.9D258D258-S260 PolarHBondContact O-N 3.08Å; D258-S260 WeakPolarHBondContact OD1-CA 3.41Å; D258-S260 WeakPolarHBondContact OD1-CB 3.31Å; D258-S260 PolarHBondContact OD1-N 3.4Å; D258-S260 PolarHBondContact OD1-OG 3.49Å
261D90.4Very high95Very high60 Ų6051.6 Ų51.632%0.32129%0.286SS..  trans-142.495176.3-178.3-2.5000110.2D258 G263 R264D258-D261 WeakPolarHBondContact CB-O 3.32Å; D258-D261 CarbonylContact O-C 3.56Å; D258-D261 PolarHBondContact O-N 2.98Å; D258-D261 PolarHBondContact OD1-N 3.42Å; D261-G263 PolarHBondContact O-N 3.17Å; D261-G263 WeakPolarHBondContact OD1-CA 3.47Å; D261-G263 PolarHBondContact OD1-N 3.34Å; D261-R264 HydrophobicContact CB-CB 4.41Å; D261-R264 HydrophobicContact CB-CG 4.27Å; D261-R264 PolarHBondContact O-N 2.97Å; D261-R264 VanDerWaalsContact OD2-CD 3.28Å; D261-R264 WeakPolarHBondContact OD2-CD 3.39Å; D261-R264 WeakPolarHBondContact OD2-CG 3.38Å; D261-R264 IonicContact OD2-NE 3.54Å; D261-R264 PolarHBondContact OD2-NE 3.48Å
262P77.5Confident95Very high55 Ų5551.9 Ų51.936%0.35730%0.295SS..THydrogen-bonded Turntrans-62.7-5.6178.8-24.134.2000114.7R62R62-P262 WeakPolarHBondContact CD-O 3.49Å; R62-P262 PolarHBondContact NE-O 3.3Å; R62-P262 PolarHBondContact NH2-O 2.93Å
263G85.6Confident94.9Very high27 Ų2755.2 Ų55.228%0.27832%0.318SS..THydrogen-bonded Turntrans-82.2-10169.600000113.9L58 D261L58-G263 WeakPolarHBondContact CD2-O 3.34Å; D261-G263 PolarHBondContact O-N 3.17Å; D261-G263 WeakPolarHBondContact OD1-CA 3.47Å; D261-G263 PolarHBondContact OD1-N 3.34Å
264R93.3Very high94.8Very high165 Ų16556.2 Ų56.262%0.62332%0.324SS*.SBendtrans-110.4147.6178.7-68177.9-173.9-149.1-7.1111.4D258 D261D258-R264 HydrophobicContact CB-CB 4.05Å; D258-R264 PolarHBondContact N-O 3.05Å; D261-R264 HydrophobicContact CB-CB 4.41Å; D261-R264 HydrophobicContact CB-CG 4.27Å; D261-R264 PolarHBondContact O-N 2.97Å; D261-R264 VanDerWaalsContact OD2-CD 3.28Å; D261-R264 WeakPolarHBondContact OD2-CD 3.39Å; D261-R264 WeakPolarHBondContact OD2-CG 3.38Å; D261-R264 IonicContact OD2-NE 3.54Å; D261-R264 PolarHBondContact OD2-NE 3.48Å
265L97.1Very high94.7Very high14 Ų1462.8 Ų62.87%0.07336%0.359CS..EExtended strand (participates in β ladder)trans-99153.5171-56.1176.7000109.1L58 L61 I65 Y76 V255 D256 L257 L341 P344L58-L265 HydrophobicContact CD1-CD1 4.32Å; L58-L265 HydrophobicContact CD1-CD2 4.31Å; L58-L265 HydrophobicContact CD1-CG 4.1Å; L61-L265 HydrophobicContact CD1-CD1 4.09Å; I65-L265 HydrophobicContact CD1-CD2 3.86Å; Y76-L265 HydrophobicContact CD2-CD1 4.44Å; Y76-L265 HydrophobicContact CE2-CD1 3.73Å; V255-L265 HydrophobicContact CG1-CB 4.02Å; V255-L265 HydrophobicContact CG1-CD1 4.15Å; V255-L265 HydrophobicContact CG1-CD2 4.44Å; V255-L265 HydrophobicContact CG1-CG 4.43Å; D256-L265 CarbonylContact O-C 3.6Å; D256-L265 VanDerWaalsContact O-CA 3.31Å; D256-L265 WeakPolarHBondContact O-CA 3.38Å; L257-L265 HydrophobicContact CD2-CD2 3.65Å; L265-L341 HydrophobicContact CB-CB 4.08Å; L265-L341 HydrophobicContact CB-CD1 4.08Å; L265-L341 HydrophobicContact CB-CD2 4.3Å; L265-L341 HydrophobicContact CB-CG 4.37Å; L265-P344 HydrophobicContact CD1-CG 3.82Å
266R97.3Very high94.6Very high88 Ų8863.6 Ų63.633%0.33237%0.365SS..EExtended strand (participates in β ladder)trans-139.615717460.6171.1-174.6167.77.5111.3V255 D256 L257 V268V255-R266 WeakPolarHBondContact CA-O 3.46Å; D256-R266 HydrophobicContact CB-CG 4.4Å; D256-R266 PolarHBondContact N-O 3.31Å; D256-R266 PolarHBondContact O-N 3.22Å; D256-R266 IonicContact OD2-CZ 3.56Å; D256-R266 IonicContact OD2-NE 2.65Å; D256-R266 IonicContact OD2-NH2 2.94Å; D256-R266 PolarHBondContact OD2-NH2 3.02Å; D256-R266 VanDerWaalsContact OD2-NH2 3.1Å; L257-R266 PolarHBondContact O-NE 3.44Å; L257-R266 VanDerWaalsContact O-NE 3.17Å; R266-V268 HydrophobicContact CG-CG1 3.97Å
267L98Very high94.5Very high75 Ų7562.4 Ų62.439%0.39336%0.36SS..EExtended strand (participates in β ladder)trans-84.8134.5167.7-62.3178000110V73 V253 L254 V255 L341V73-L267 HydrophobicContact CG2-CD2 4.17Å; V253-L267 HydrophobicContact CG1-CB 4.06Å; V253-L267 HydrophobicContact CG1-CD2 4.19Å; V253-L267 HydrophobicContact CG1-CG 4.48Å; L254-L267 CarbonylContact O-C 3.56Å; L254-L267 WeakPolarHBondContact O-CA 3.46Å; V255-L267 HydrophobicContact CG2-CD2 3.98Å; L267-L341 HydrophobicContact CD2-CD1 4.26Å; L267-L341 HydrophobicContact CG-CD1 4.09Å
268V98Very high94.4Very high28 Ų2865.5 Ų65.517%0.1738%0.383CS..EExtended strand (participates in β ladder)trans-134.6158.2177.5-60.50000110.6P70 V253 L254 D256 R266P70-V268 HydrophobicContact CB-CG2 4.19Å; P70-V268 HydrophobicContact CG-CG2 4.4Å; V253-V268 CarbonylContact C-O 3.52Å; V253-V268 WeakPolarHBondContact CA-O 3.17Å; L254-V268 HydrophobicContact CB-CG2 4.01Å; L254-V268 PolarHBondContact N-O 3.34Å; L254-V268 PolarHBondContact O-N 2.65Å; D256-V268 HydrophobicContact CB-CG1 3.99Å; D256-V268 HydrophobicContact CB-CG2 3.75Å; R266-V268 HydrophobicContact CG-CG1 3.97Å
269L98.3Very high94.4Very high71 Ų7167.7 Ų67.737%0.37240%0.401SS..EExtended strand (participates in β ladder)trans-90.2138.1170.2-69.7174.9000110.5Q244 R251 V253Q244-L269 HydrophobicContact CB-CD2 3.83Å; Q244-L269 HydrophobicContact CG-CD2 4.46Å; R251-L269 HydrophobicContact CB-CD2 4.28Å; V253-L269 HydrophobicContact CG2-CD2 3.81Å
270S98.1Very high94.6Very high7 Ų765 Ų655%0.04938%0.382CS..  trans-54.7139.1166.348.60000110.9R251 E252 G272R251-S270 WeakPolarHBondContact CD-O 3.42Å; E252-S270 PolarHBondContact N-OG 3.45Å; E252-S270 WeakPolarHBondContact O-CB 3.49Å; E252-S270 PolarHBondContact O-N 2.75Å; E252-S270 PolarHBondContact O-OG 3.09Å; S270-G272 VanDerWaalsContact C-N 3.28Å; S270-G272 WeakPolarHBondContact CB-O 3.42Å; S270-G272 PolarHBondContact O-N 3.2Å; S270-G272 PolarHBondContact OG-O 3.35Å
271P96.3Very high94.7Very high135 Ų13560.8 Ų60.888%0.87735%0.351SS*.SBendtrans-68.9-28-178.426.1-33.7000112.7
272G96.6Very high94.6Very high26 Ų2660.3 Ų60.327%0.26835%0.347SS..SBendtrans-136.6174.6177.700000111.7R251 S270 T274R251-G272 VanDerWaalsContact CD-C 3.44Å; R251-G272 WeakPolarHBondContact CD-O 3.3Å; S270-G272 VanDerWaalsContact C-N 3.28Å; S270-G272 WeakPolarHBondContact CB-O 3.42Å; S270-G272 PolarHBondContact O-N 3.2Å; S270-G272 PolarHBondContact OG-O 3.35Å; G272-T274 PolarHBondContact O-N 3.31Å
273P96.9Very high95.1Very high81 Ų8162.9 Ų62.953%0.52637%0.373SS..  trans-58.5130.5172.3-18.730.9000110.8S277P273-S277 WeakPolarHBondContact CA-OG 3.31Å
274T97.1Very high95.2Very high34 Ų3465.6 Ų65.621%0.20940%0.401CS..  trans-87164.8166.668.80000110E252 G272 A276 S277 S278E252-T274 HydrophobicContact CB-CG2 3.89Å; E252-T274 VanDerWaalsContact OE2-CB 3.22Å; E252-T274 WeakPolarHBondContact OE2-CB 3.28Å; E252-T274 VanDerWaalsContact OE2-CG2 3.29Å; E252-T274 WeakPolarHBondContact OE2-CG2 3.37Å; E252-T274 PolarHBondContact OE2-OG1 3.36Å; G272-T274 PolarHBondContact O-N 3.31Å; T274-A276 PolarHBondContact O-N 3.1Å; T274-S277 PolarHBondContact N-OG 3.32Å; T274-S277 PolarHBondContact O-N 3.37Å; T274-S277 PolarHBondContact O-OG 2.95Å; T274-S277 PolarHBondContact OG1-N 3.4Å; T274-S277 PolarHBondContact OG1-OG 3.4Å; T274-S278 PolarHBondContact O-N 3.44Å; T274-S278 PolarHBondContact O-OG 3.09Å
275L96.1Very high95.3Very high156 Ų15659.1 Ų59.182%0.81738%0.378SS*.Hα-helixtrans-55-44.4171.5-71.1175.8000111.1S278 S279L275-S278 PolarHBondContact O-N 2.68Å; L275-S279 WeakPolarHBondContact O-CB 3.4Å; L275-S279 PolarHBondContact O-N 2.87Å; L275-S279 PolarHBondContact O-OG 3.4Å
276A96.3Very high95Very high17 Ų1761.1 Ų61.114%0.1440%0.402CS..Hα-helixtrans-59.7-46.8177.500000111.7F243 T274 S278 S279 L280F243-A276 HydrophobicContact CE1-CB 4.06Å; F243-A276 HydrophobicContact CZ-CB 3.95Å; T274-A276 PolarHBondContact O-N 3.1Å; A276-S278 PolarHBondContact O-N 3.45Å; A276-S279 PolarHBondContact O-N 2.96Å; A276-L280 HydrophobicContact CB-CD1 3.93Å; A276-L280 WeakPolarHBondContact O-CB 3.24Å; A276-L280 WeakPolarHBondContact O-CG 2.99Å; A276-L280 PolarHBondContact O-N 3.42Å
277S96.3Very high94.9Very high7 Ų758.5 Ų58.55%0.04939%0.392CS..Hα-helixtrans-65.5-25.6178.570.50000113.6F243 P273 T274F243-S277 VanDerWaalsContact CE1-N 3.32Å; P273-S277 WeakPolarHBondContact CA-OG 3.31Å; T274-S277 PolarHBondContact N-OG 3.32Å; T274-S277 PolarHBondContact O-N 3.37Å; T274-S277 PolarHBondContact O-OG 2.95Å; T274-S277 PolarHBondContact OG1-N 3.4Å; T274-S277 PolarHBondContact OG1-OG 3.4Å
278S94.6Very high94.8Very high85 Ų8557.6 Ų57.659%0.59439%0.392SS*.Hα-helixtrans-88-25-178.7-53.20000112.9T274 L275 A276T274-S278 PolarHBondContact O-N 3.44Å; T274-S278 PolarHBondContact O-OG 3.09Å; L275-S278 PolarHBondContact O-N 2.68Å; A276-S278 PolarHBondContact O-N 3.45Å
279S94.7Very high94.8Very high88 Ų8859 Ų5962%0.61540%0.396SS*.Hα-helixtrans-110.2-31-174.165.70000114.5L275 A276L275-S279 WeakPolarHBondContact O-CB 3.4Å; L275-S279 PolarHBondContact O-N 2.87Å; L275-S279 PolarHBondContact O-OG 3.4Å; A276-S279 PolarHBondContact O-N 2.96Å
280L95.8Very high94.7Very high42 Ų4255.8 Ų55.822%0.2238%0.38CS..THydrogen-bonded Turntrans-92-31.4-174.1-60.4179.2000112.8H241 F243 A276 V292 P294H241-L280 HydrophobicContact CB-CD1 4.45Å; F243-L280 HydrophobicContact CE2-CB 4.12Å; F243-L280 HydrophobicContact CE2-CD1 4.46Å; F243-L280 HydrophobicContact CZ-CB 4.15Å; F243-L280 HydrophobicContact CZ-CD1 4.09Å; A276-L280 HydrophobicContact CB-CD1 3.93Å; A276-L280 WeakPolarHBondContact O-CB 3.24Å; A276-L280 WeakPolarHBondContact O-CG 2.99Å; A276-L280 PolarHBondContact O-N 3.42Å; L280-V292 HydrophobicContact CB-CG1 4.17Å; L280-P294 HydrophobicContact CD1-CG 3.44Å; L280-P294 VanDerWaalsContact CD1-CG 3.44Å; L280-P294 HydrophobicContact CD2-CB 4.17Å; L280-P294 HydrophobicContact CD2-CG 3.74Å; L280-P294 HydrophobicContact CG-CG 4.22Å
281V94.8Very high94.7Very high16 Ų1656.2 Ų56.210%0.09738%0.381CS..SBendtrans-76.9132.9176.4-174.40000109.3F243 W250 E285 V290F243-V281 HydrophobicContact CB-CG2 3.85Å; F243-V281 HydrophobicContact CD1-CG2 4.01Å; F243-V281 HydrophobicContact CD2-CG2 3.46Å; F243-V281 VanDerWaalsContact CD2-CG2 3.46Å; F243-V281 HydrophobicContact CE1-CG2 4.47Å; F243-V281 HydrophobicContact CE2-CG2 3.94Å; F243-V281 HydrophobicContact CG-CG2 3.48Å; F243-V281 VanDerWaalsContact CG-CG2 3.48Å; F243-V281 HydrophobicContact CZ-CG2 4.42Å; W250-V281 HydrophobicContact CD2-CG1 3.76Å; W250-V281 HydrophobicContact CD2-CG2 4.36Å; W250-V281 HydrophobicContact CE3-CG1 4.38Å; W250-V281 HydrophobicContact CG-CB 4.38Å; W250-V281 HydrophobicContact CG-CG1 3.97Å; W250-V281 HydrophobicContact CG-CG2 4.35Å; W250-V281 HydrophobicContact CZ2-CG1 3.97Å; V281-E285 HydrophobicContact CG1-CB 4.07Å; V281-E285 HydrophobicContact CG1-CG 4.28Å; V281-V290 HydrophobicContact CG1-CG1 4.18Å; V281-V290 HydrophobicContact CG2-CG1 4.11Å
282Q89Confident94.7Very high50 Ų5050.1 Ų50.123%0.23434%0.341CS..PPolyproline II helixtrans-81.1147-172.8-71.4149.8-5.300112.9G284 E285Q282-G284 PolarHBondContact O-N 3.26Å; Q282-E285 VanDerWaalsContact O-CB 3.32Å; Q282-E285 WeakPolarHBondContact O-CB 3.48Å; Q282-E285 PolarHBondContact O-N 2.91Å; Q282-E285 VanDerWaalsContact O-N 3.11Å
283A87.6Confident94.8Very high109 Ų10949.7 Ų49.790%0.90133%0.334SS*.THydrogen-bonded Turntrans-57.9129.4167.500000109.7E285A283-E285 VanDerWaalsContact C-N 3.35Å
284G87.9Confident94.8Very high84 Ų8447.9 Ų47.987%0.86632%0.322SS*.THydrogen-bonded Turntrans7911.4-178.200000115.1Q282 G286Q282-G284 PolarHBondContact O-N 3.26Å; G284-G286 PolarHBondContact O-N 3.09Å; G284-G286 VanDerWaalsContact O-N 3.09Å
285E93.9Very high94.8Very high29 Ų2949.8 Ų49.814%0.13633%0.329CS..  trans-57.2115.4172.5179.453.4-103.100111W250 V281 Q282 A283 R287W250-E285 HydrophobicContact CH2-CG 3.91Å; W250-E285 HydrophobicContact CZ2-CB 3.95Å; W250-E285 HydrophobicContact CZ2-CG 3.58Å; V281-E285 HydrophobicContact CG1-CB 4.07Å; V281-E285 HydrophobicContact CG1-CG 4.28Å; Q282-E285 VanDerWaalsContact O-CB 3.32Å; Q282-E285 WeakPolarHBondContact O-CB 3.48Å; Q282-E285 PolarHBondContact O-N 2.91Å; Q282-E285 VanDerWaalsContact O-N 3.11Å; A283-E285 VanDerWaalsContact C-N 3.35Å; E285-R287 VanDerWaalsContact CD-NE 3.29Å; E285-R287 HydrophobicContact CG-CB 4.48Å; E285-R287 VanDerWaalsContact OE1-CB 3.28Å; E285-R287 WeakPolarHBondContact OE1-CB 3.18Å; E285-R287 VanDerWaalsContact OE1-CG 3.29Å; E285-R287 WeakPolarHBondContact OE1-CG 3.39Å; E285-R287 IonicContact OE1-CZ 3.16Å; E285-R287 PolarHBondContact OE1-N 3.49Å; E285-R287 IonicContact OE1-NE 2.71Å; E285-R287 PolarHBondContact OE1-NE 2.63Å; E285-R287 IonicContact OE1-NH2 2.89Å; E285-R287 IonicContact OE2-CZ 3.39Å; E285-R287 IonicContact OE2-NE 3.13Å; E285-R287 PolarHBondContact OE2-NE 2.96Å; E285-R287 IonicContact OE2-NH2 3.27Å; E285-R287 PolarHBondContact OE2-NH2 3.1Å
286G92.6Very high94.9Very high56 Ų5642.3 Ų42.358%0.57729%0.29SS*.  trans-83.5-23.2-174.100000113.7R245 G284R245-G286 PolarHBondContact NH1-O 3.29Å; G284-G286 PolarHBondContact O-N 3.09Å; G284-G286 VanDerWaalsContact O-N 3.09Å
287R95.1Very high94.9Very high32 Ų3241.6 Ų41.612%0.12128%0.284CS..  trans-68.9160.8-177.6-66.7172.8-75.6-175.2-4.8112.2R245 W250 E285 H289 K325 T326 D354R245-R287 PolarHBondContact NH1-O 2.85Å; W250-R287 WeakPolarHBondContact CH2-O 3.27Å; W250-R287 WeakPolarHBondContact CZ2-O 3.28Å; E285-R287 VanDerWaalsContact CD-NE 3.29Å; E285-R287 HydrophobicContact CG-CB 4.48Å; E285-R287 VanDerWaalsContact OE1-CB 3.28Å; E285-R287 WeakPolarHBondContact OE1-CB 3.18Å; E285-R287 VanDerWaalsContact OE1-CG 3.29Å; E285-R287 WeakPolarHBondContact OE1-CG 3.39Å; E285-R287 IonicContact OE1-CZ 3.16Å; E285-R287 PolarHBondContact OE1-N 3.49Å; E285-R287 IonicContact OE1-NE 2.71Å; E285-R287 PolarHBondContact OE1-NE 2.63Å; E285-R287 IonicContact OE1-NH2 2.89Å; E285-R287 IonicContact OE2-CZ 3.39Å; E285-R287 IonicContact OE2-NE 3.13Å; E285-R287 PolarHBondContact OE2-NE 2.96Å; E285-R287 IonicContact OE2-NH2 3.27Å; E285-R287 PolarHBondContact OE2-NH2 3.1Å; R287-H289 WeakPolarHBondContact CB-O 3.34Å; R287-K325 WeakPolarHBondContact CD-O 3.48Å; R287-K325 PolarHBondContact NH1-O 3.15Å; R287-K325 VanDerWaalsContact NH1-O 3.1Å; R287-T326 HydrophobicContact CB-CG2 4.14Å; R287-T326 HydrophobicContact CG-CG2 4.15Å; R287-D354 IonicContact CZ-OD2 3.78Å; R287-D354 IonicContact NH1-OD2 2.73Å; R287-D354 PolarHBondContact NH1-OD2 3.18Å; R287-D354 IonicContact NH2-OD2 3.74Å; R287-D354 PolarHBondContact NH2-OD2 3.29Å
288S95.4Very high95Very high57 Ų5743.8 Ų43.840%0.39930%0.302SS..SBendtrans-89.6-25.9173.5590000112.9Q244 R245Q244-S288 CarbonylContact C-O 3.53Å; Q244-S288 WeakPolarHBondContact CA-O 3.29Å; R245-S288 PolarHBondContact N-O 3.21Å
289H96.8Very high95.2Very high56 Ų5640.8 Ų40.826%0.25928%0.28SS..EExtended strand (participates in β ladder)trans-134.2145.1171.9-54.370.3000109.3F243 Q244 R287 T326F243-H289 CarbonylContact O-C 3.54Å; F243-H289 WeakPolarHBondContact O-CA 3.17Å; Q244-H289 VanDerWaalsContact CD-NE2 3.3Å; Q244-H289 WeakPolarHBondContact CG-NE2 3.28Å; Q244-H289 PolarHBondContact OE1-NE2 2.98Å; R287-H289 WeakPolarHBondContact CB-O 3.34Å; H289-T326 WeakPolarHBondContact O-CB 3.35Å; H289-T326 WeakPolarHBondContact O-CG2 3.3Å
290V96.9Very high95.4Very high5 Ų536.6 Ų36.63%0.0325%0.25CS..EExtended strand (participates in β ladder)trans-143137.9177.563.20000110.2F243 W250 V281 V292F243-V290 HydrophobicContact CB-CG1 3.89Å; F243-V290 HydrophobicContact CD2-CG1 4.06Å; F243-V290 HydrophobicContact CG-CG1 4.44Å; F243-V290 PolarHBondContact N-O 3.34Å; F243-V290 PolarHBondContact O-N 2.78Å; W250-V290 HydrophobicContact CE3-CG1 4.46Å; W250-V290 HydrophobicContact CH2-CG1 4Å; W250-V290 HydrophobicContact CZ3-CG1 3.84Å; V281-V290 HydrophobicContact CG1-CG1 4.18Å; V281-V290 HydrophobicContact CG2-CG1 4.11Å; V290-V292 HydrophobicContact CG1-CG2 4.45Å; V290-V292 HydrophobicContact CG2-CG2 3.97Å
291E97.8Very high95.5Very high16 Ų1639.4 Ų39.48%0.07526%0.262CS..EExtended strand (participates in β ladder)trans-104.4128.3172.4-62.1178158.600107.5H241 K242 T326 T328 F329H241-E291 CarbonylContact O-C 3.44Å; H241-E291 VanDerWaalsContact O-CA 3.28Å; H241-E291 WeakPolarHBondContact O-CA 3.43Å; K242-E291 VanDerWaalsContact CE-OE1 3.25Å; K242-E291 WeakPolarHBondContact CE-OE1 3.12Å; K242-E291 HydrophobicContact CG-CG 4.13Å; K242-E291 IonicContact NZ-OE1 2.7Å; E291-T326 WeakPolarHBondContact CG-O 3.46Å; E291-T328 VanDerWaalsContact CD-N 3.31Å; E291-T328 PolarHBondContact OE1-N 3.42Å; E291-T328 WeakPolarHBondContact OE2-CB 3.24Å; E291-T328 PolarHBondContact OE2-N 2.91Å; E291-T328 VanDerWaalsContact OE2-N 3.16Å; E291-T328 PolarHBondContact OE2-OG1 2.85Å; E291-F329 WeakPolarHBondContact OE1-CB 3.48Å; E291-F329 PolarHBondContact OE1-N 2.82Å
292V97.6Very high95.7Very high6 Ų640.2 Ų40.24%0.03627%0.266CS..EExtended strand (participates in β ladder)trans-127.4129.9-178.4-174.70000109V240 H241 F243 L280 V290 P294 F357V240-V292 WeakPolarHBondContact CA-O 3.27Å; H241-V292 PolarHBondContact N-O 3Å; H241-V292 PolarHBondContact O-N 2.87Å; F243-V292 HydrophobicContact CD2-CG2 4.12Å; F243-V292 HydrophobicContact CE2-CB 4.11Å; F243-V292 HydrophobicContact CE2-CG2 3.98Å; L280-V292 HydrophobicContact CB-CG1 4.17Å; V290-V292 HydrophobicContact CG1-CG2 4.45Å; V290-V292 HydrophobicContact CG2-CG2 3.97Å; V292-P294 VanDerWaalsContact O-CD 3.31Å; V292-P294 WeakPolarHBondContact O-CD 3.44Å; V292-F357 HydrophobicContact CG1-CD2 4.38Å; V292-F357 HydrophobicContact CG1-CE2 3.83Å; V292-F357 HydrophobicContact CG1-CZ 3.96Å
293C97.8Very high96.1Very high17 Ų1737.9 Ų37.912%0.11526%0.255CS..  trans-108.692.4174.8-172.50000110.4L238 P239 V240 E295 G296 G297 F357L238-C293 WeakPolarHBondContact CB-SG 3.49Å; P239-C293 PolarHBondContact O-SG 3.38Å; V240-C293 HydrophobicContact CG1-CB 4.06Å; C293-E295 VanDerWaalsContact C-N 3.28Å; C293-E295 PolarHBondContact O-N 2.9Å; C293-G296 PolarHBondContact O-N 3.31Å; C293-G296 PolarHBondContact SG-N 3.24Å; C293-G297 PolarHBondContact O-N 2.89Å; C293-G297 VanDerWaalsContact O-N 3.1Å; C293-F357 WeakPolarHBondContact O-CE1 3.39Å
294P97.4Very high96.6Very high43 Ų4333 Ų3328%0.27922%0.215SC..Hα-helixtrans-61.8-37.2-180-23.935.2000112.7L280 V292 G297 A298L280-P294 HydrophobicContact CD1-CG 3.44Å; L280-P294 VanDerWaalsContact CD1-CG 3.44Å; L280-P294 HydrophobicContact CD2-CB 4.17Å; L280-P294 HydrophobicContact CD2-CG 3.74Å; L280-P294 HydrophobicContact CG-CG 4.22Å; V292-P294 VanDerWaalsContact O-CD 3.31Å; V292-P294 WeakPolarHBondContact O-CD 3.44Å; P294-G297 WeakPolarHBondContact O-CA 3.44Å; P294-G297 PolarHBondContact O-N 3.2Å; P294-G297 VanDerWaalsContact O-N 3.17Å; P294-A298 PolarHBondContact O-N 3.13Å
295E96.5Very high97.1Very high74 Ų7436.3 Ų36.335%0.34620%0.201SC..Hα-helixtrans-63.6-46.2179.4-173.1170.2168.200111.3R78 C293 G297 A298 I299R78-E295 IonicContact CZ-OE2 2.73Å; R78-E295 IonicContact NH2-OE2 2.72Å; R78-E295 PolarHBondContact NH2-OE2 3.29Å; C293-E295 VanDerWaalsContact C-N 3.28Å; C293-E295 PolarHBondContact O-N 2.9Å; E295-G297 VanDerWaalsContact C-N 3.27Å; E295-G297 PolarHBondContact O-N 2.9Å; E295-A298 PolarHBondContact O-N 2.98Å; E295-A298 VanDerWaalsContact O-N 3.15Å; E295-I299 HydrophobicContact CG-CD1 4.38Å; E295-I299 WeakPolarHBondContact O-CG1 3.28Å; E295-I299 PolarHBondContact O-N 3.18Å
296G97.7Very high97.3Very high0 Ų036 Ų360%020%0.198CC..Hα-helixtrans-58.7-39.7171.800000112.3F235 C293 I299 V300F235-G296 WeakPolarHBondContact CE1-O 3.43Å; C293-G296 PolarHBondContact O-N 3.31Å; C293-G296 PolarHBondContact SG-N 3.24Å; G296-I299 PolarHBondContact O-N 3.06Å; G296-V300 WeakPolarHBondContact O-CG2 3.49Å; G296-V300 PolarHBondContact O-N 3.02Å
297G97.8Very high97.5Very high1 Ų133.3 Ų33.31%0.0117%0.171CC..Hα-helixtrans-59.9-45.5173.500000113.3C293 P294 E295 V300 Q301C293-G297 PolarHBondContact O-N 2.89Å; C293-G297 VanDerWaalsContact O-N 3.1Å; P294-G297 WeakPolarHBondContact O-CA 3.44Å; P294-G297 PolarHBondContact O-N 3.2Å; P294-G297 VanDerWaalsContact O-N 3.17Å; E295-G297 VanDerWaalsContact C-N 3.27Å; E295-G297 PolarHBondContact O-N 2.9Å; G297-V300 PolarHBondContact O-N 3.34Å; G297-Q301 WeakPolarHBondContact O-CG 3.43Å; G297-Q301 PolarHBondContact O-N 2.92Å
298A98.1Very high97.5Very high53 Ų5337.6 Ų37.644%0.43819%0.192SC..Hα-helixtrans-64.1-41.9177.900000112.3P294 E295 V300 Q301 L302P294-A298 PolarHBondContact O-N 3.13Å; E295-A298 PolarHBondContact O-N 2.98Å; E295-A298 VanDerWaalsContact O-N 3.15Å; A298-V300 VanDerWaalsContact C-N 3.34Å; A298-V300 PolarHBondContact O-N 3.25Å; A298-Q301 WeakPolarHBondContact O-CB 3.44Å; A298-Q301 PolarHBondContact O-N 2.69Å; A298-L302 PolarHBondContact O-N 3.05Å
299I98.5Very high97.5Very high23 Ų2341 Ų4112%0.11820%0.202CC..Hα-helixtrans-61.1-44.6175.4-68.4171.9000110.4L137 L219 F234 F235 L238 E295 G296 Q301 L302 L303L137-I299 HydrophobicContact CD2-CG2 3.76Å; L219-I299 HydrophobicContact CD2-CG2 4.18Å; F234-I299 HydrophobicContact CE1-CD1 3.68Å; F234-I299 HydrophobicContact CZ-CD1 3.88Å; F235-I299 HydrophobicContact CE1-CB 4.46Å; F235-I299 HydrophobicContact CE1-CG2 4.41Å; F235-I299 HydrophobicContact CZ-CB 4.49Å; F235-I299 HydrophobicContact CZ-CG2 3.96Å; L238-I299 HydrophobicContact CD1-CD1 4Å; E295-I299 HydrophobicContact CG-CD1 4.38Å; E295-I299 WeakPolarHBondContact O-CG1 3.28Å; E295-I299 PolarHBondContact O-N 3.18Å; G296-I299 PolarHBondContact O-N 3.06Å; I299-Q301 VanDerWaalsContact C-N 3.35Å; I299-Q301 PolarHBondContact O-N 2.94Å; I299-L302 WeakPolarHBondContact O-CB 3.21Å; I299-L302 PolarHBondContact O-N 2.83Å; I299-L303 HydrophobicContact CG2-CD1 4.14Å; I299-L303 HydrophobicContact CG2-CG 4.39Å; I299-L303 WeakPolarHBondContact O-CG 3.28Å; I299-L303 PolarHBondContact O-N 3.31Å
300V98.6Very high97.4Very high0 Ų040.9 Ų40.90%020%0.202CC..Hα-helixtrans-64.3-38.7177.6171.20000112.1F235 G296 G297 A298 L302 L303 A304 I316 L358 M361 A362 L425F235-V300 HydrophobicContact CE1-CG2 3.82Å; F235-V300 HydrophobicContact CZ-CG2 3.78Å; G296-V300 WeakPolarHBondContact O-CG2 3.49Å; G296-V300 PolarHBondContact O-N 3.02Å; G297-V300 PolarHBondContact O-N 3.34Å; A298-V300 VanDerWaalsContact C-N 3.34Å; A298-V300 PolarHBondContact O-N 3.25Å; V300-L302 VanDerWaalsContact C-N 3.32Å; V300-L302 PolarHBondContact O-N 3.37Å; V300-L303 PolarHBondContact O-N 3.3Å; V300-A304 WeakPolarHBondContact O-CB 3.39Å; V300-A304 PolarHBondContact O-N 3.38Å; V300-I316 HydrophobicContact CG2-CD1 3.84Å; V300-L358 WeakPolarHBondContact CG1-O 3.41Å; V300-L358 HydrophobicContact CG2-CB 4.25Å; V300-L358 HydrophobicContact CG2-CD1 4.43Å; V300-L358 HydrophobicContact CG2-CD2 3.94Å; V300-L358 HydrophobicContact CG2-CG 4.43Å; V300-M361 HydrophobicContact CB-CB 4.38Å; V300-M361 HydrophobicContact CG1-CB 4.3Å; V300-A362 HydrophobicContact CG1-CB 3.69Å; V300-L425 HydrophobicContact CG1-CD1 4.11Å
301Q98.4Very high97.3Very high101 Ų10141.7 Ų41.747%0.47221%0.21SC..Hα-helixtrans-60.6-42173-75.3173.9-2.100111.8G297 A298 I299 A304 R305 M361G297-Q301 WeakPolarHBondContact O-CG 3.43Å; G297-Q301 PolarHBondContact O-N 2.92Å; A298-Q301 WeakPolarHBondContact O-CB 3.44Å; A298-Q301 PolarHBondContact O-N 2.69Å; I299-Q301 VanDerWaalsContact C-N 3.35Å; I299-Q301 PolarHBondContact O-N 2.94Å; Q301-A304 PolarHBondContact O-N 3Å; Q301-R305 WeakPolarHBondContact O-CB 3.46Å; Q301-R305 PolarHBondContact O-N 2.84Å; Q301-M361 HydrophobicContact CG-CB 4.4Å; Q301-M361 WeakPolarHBondContact CG-O 2.8Å
302L98.2Very high97.3Very high32 Ų3241.2 Ų41.217%0.16821%0.21CC..Hα-helixtrans-65.6-46176.8178.756.9000111.8L219 E220 A298 I299 V300 A304 R305 R306L219-L302 HydrophobicContact CB-CD2 4.05Å; L219-L302 HydrophobicContact CD2-CD2 3.78Å; L219-L302 HydrophobicContact CD2-CG 4.07Å; L219-L302 HydrophobicContact CG-CD2 3.81Å; L219-L302 HydrophobicContact CG-CG 4.41Å; E220-L302 VanDerWaalsContact CD-CD2 3.48Å; E220-L302 HydrophobicContact CG-CD2 3.69Å; E220-L302 WeakPolarHBondContact OE1-CD2 3.43Å; A298-L302 PolarHBondContact O-N 3.05Å; I299-L302 WeakPolarHBondContact O-CB 3.21Å; I299-L302 PolarHBondContact O-N 2.83Å; V300-L302 VanDerWaalsContact C-N 3.32Å; V300-L302 PolarHBondContact O-N 3.37Å; L302-A304 VanDerWaalsContact C-N 3.34Å; L302-A304 PolarHBondContact O-N 2.87Å; L302-R305 PolarHBondContact O-N 2.92Å; L302-R306 HydrophobicContact CD1-CG 4.21Å; L302-R306 HydrophobicContact CG-CG 4.49Å; L302-R306 VanDerWaalsContact O-CG 3.25Å; L302-R306 WeakPolarHBondContact O-CG 3.44Å; L302-R306 PolarHBondContact O-N 2.86Å
303L98.4Very high97.3Very high2 Ų241 Ų411%0.0121%0.209CC..Hα-helixtrans-57.6-46.6174.7-70.2173.6000111.3L219 F229 I299 V300 R305 R306 I307 A314 L425L219-L303 HydrophobicContact CD2-CD2 3.76Å; L219-L303 HydrophobicContact CD2-CG 4.05Å; F229-L303 HydrophobicContact CB-CD2 3.8Å; F229-L303 HydrophobicContact CD1-CD2 3.48Å; F229-L303 VanDerWaalsContact CD1-CD2 3.48Å; F229-L303 HydrophobicContact CD2-CD2 3.87Å; F229-L303 HydrophobicContact CE1-CD2 3.99Å; F229-L303 HydrophobicContact CE2-CD2 4.31Å; F229-L303 HydrophobicContact CG-CD2 3.44Å; F229-L303 VanDerWaalsContact CG-CD2 3.44Å; F229-L303 HydrophobicContact CZ-CD2 4.37Å; I299-L303 HydrophobicContact CG2-CD1 4.14Å; I299-L303 HydrophobicContact CG2-CG 4.39Å; I299-L303 WeakPolarHBondContact O-CG 3.28Å; I299-L303 PolarHBondContact O-N 3.31Å; V300-L303 PolarHBondContact O-N 3.3Å; L303-R305 PolarHBondContact O-N 2.92Å; L303-R306 PolarHBondContact O-N 3Å; L303-I307 VanDerWaalsContact O-CG1 3.3Å; L303-I307 WeakPolarHBondContact O-CG1 3.49Å; L303-I307 PolarHBondContact O-N 3.4Å; L303-A314 HydrophobicContact CD1-CB 4.36Å; L303-L425 HydrophobicContact CB-CD1 4.19Å
304A98.2Very high97.3Very high6 Ų640.2 Ų40.25%0.0520%0.204CC..Hα-helixtrans-60-45.9177.400000111.6V300 Q301 L302 R306 I307 Q308 A362 V366V300-A304 WeakPolarHBondContact O-CB 3.39Å; V300-A304 PolarHBondContact O-N 3.38Å; Q301-A304 PolarHBondContact O-N 3Å; L302-A304 VanDerWaalsContact C-N 3.34Å; L302-A304 PolarHBondContact O-N 2.87Å; A304-R306 PolarHBondContact O-N 2.9Å; A304-I307 PolarHBondContact O-N 2.81Å; A304-Q308 VanDerWaalsContact O-CB 3.32Å; A304-Q308 WeakPolarHBondContact O-CB 3.31Å; A304-Q308 PolarHBondContact O-N 3.39Å; A304-A362 HydrophobicContact CB-CB 4.4Å; A304-A362 WeakPolarHBondContact CB-O 3.42Å; A304-V366 HydrophobicContact CB-CG1 4.09Å; A304-V366 HydrophobicContact CB-CG2 3.66Å; A304-V366 VanDerWaalsContact O-CG1 3.27Å; A304-V366 WeakPolarHBondContact O-CG1 3.47Å
305R97.6Very high97.4Very high154 Ų15438.3 Ų38.358%0.58119%0.191SC*.Hα-helixtrans-60.5-45.4176.1-179.1-176.9-74.5178.5-2.4111.8Q301 L302 L303 Q308 Q309Q301-R305 WeakPolarHBondContact O-CB 3.46Å; Q301-R305 PolarHBondContact O-N 2.84Å; L302-R305 PolarHBondContact O-N 2.92Å; L303-R305 PolarHBondContact O-N 2.92Å; R305-Q308 PolarHBondContact O-N 2.8Å; R305-Q309 HydrophobicContact CG-CG 4.41Å; R305-Q309 WeakPolarHBondContact O-CB 3.48Å; R305-Q309 VanDerWaalsContact O-CG 3.29Å; R305-Q309 WeakPolarHBondContact O-CG 3.45Å; R305-Q309 PolarHBondContact O-N 3.47Å
306R97.6Very high97.5Very high21 Ų2134.8 Ų34.88%0.07918%0.175CC..Hα-helixtrans-58.7-50.7177.8-71.5-86.5-63.6-161.5-0.2111V222 P223 S227 F229 L302 L303 A304 Q308 Q309 Q310V222-R306 PolarHBondContact O-NH1 3.2Å; P223-R306 PolarHBondContact O-NH1 3.46Å; P223-R306 PolarHBondContact O-NH2 2.89Å; S227-R306 PolarHBondContact OG-NH2 2.64Å; F229-R306 HydrophobicContact CE2-CB 4.2Å; F229-R306 HydrophobicContact CZ-CB 4Å; F229-R306 HydrophobicContact CZ-CG 4.36Å; L302-R306 HydrophobicContact CD1-CG 4.21Å; L302-R306 HydrophobicContact CG-CG 4.49Å; L302-R306 VanDerWaalsContact O-CG 3.25Å; L302-R306 WeakPolarHBondContact O-CG 3.44Å; L302-R306 PolarHBondContact O-N 2.86Å; L303-R306 PolarHBondContact O-N 3Å; A304-R306 PolarHBondContact O-N 2.9Å; R306-Q308 VanDerWaalsContact C-N 3.32Å; R306-Q308 PolarHBondContact O-N 3.42Å; R306-Q309 PolarHBondContact O-N 3.49Å; R306-Q310 VanDerWaalsContact CD-OE1 3.31Å; R306-Q310 PolarHBondContact O-N 2.81Å; R306-Q310 PolarHBondContact O-OE1 3.16Å
307I97.4Very high97.5Very high1 Ų134.9 Ų34.91%0.00518%0.175CC..Hα-helixtrans-61.8-40.9178.9-68165.3000111.3F229 L303 A304 Q309 G311 A314 V366 L425 A427F229-I307 HydrophobicContact CD2-CG1 4.41Å; F229-I307 HydrophobicContact CE2-CG1 4.25Å; L303-I307 VanDerWaalsContact O-CG1 3.3Å; L303-I307 WeakPolarHBondContact O-CG1 3.49Å; L303-I307 PolarHBondContact O-N 3.4Å; A304-I307 PolarHBondContact O-N 2.81Å; I307-Q309 VanDerWaalsContact C-N 3.33Å; I307-Q309 PolarHBondContact O-N 2.56Å; I307-G311 CarbonylContact O-C 3.58Å; I307-G311 WeakPolarHBondContact O-CA 3.29Å; I307-G311 PolarHBondContact O-N 2.79Å; I307-A314 HydrophobicContact CD1-CB 3.88Å; I307-V366 HydrophobicContact CB-CG1 3.99Å; I307-V366 HydrophobicContact CG2-CG1 3.84Å; I307-L425 HydrophobicContact CD1-CB 3.8Å; I307-A427 HydrophobicContact CG2-CB 4.01Å; I307-A427 VanDerWaalsContact CG2-N 3.32Å
308Q95.8Very high97.5Very high121 Ų12134.8 Ų34.857%0.56518%0.175SC*.Hα-helixtrans-64-38.5178-172.5-179.219.100112.2A304 R305 R306 V366A304-Q308 VanDerWaalsContact O-CB 3.32Å; A304-Q308 WeakPolarHBondContact O-CB 3.31Å; A304-Q308 PolarHBondContact O-N 3.39Å; R305-Q308 PolarHBondContact O-N 2.8Å; R306-Q308 VanDerWaalsContact C-N 3.32Å; R306-Q308 PolarHBondContact O-N 3.42Å; Q308-V366 HydrophobicContact CB-CG1 4.47Å
309Q94.9Very high97.4Very high128 Ų12834.3 Ų34.360%0.59816%0.162SC*.Hα-helixtrans-87.6-40.3-174.2-70.7176.2-1200113.7R305 R306 I307R305-Q309 HydrophobicContact CG-CG 4.41Å; R305-Q309 WeakPolarHBondContact O-CB 3.48Å; R305-Q309 VanDerWaalsContact O-CG 3.29Å; R305-Q309 WeakPolarHBondContact O-CG 3.45Å; R305-Q309 PolarHBondContact O-N 3.47Å; R306-Q309 PolarHBondContact O-N 3.49Å; I307-Q309 VanDerWaalsContact C-N 3.33Å; I307-Q309 PolarHBondContact O-N 2.56Å
310Q95.3Very high97.3Very high55 Ų5533.5 Ų33.526%0.25716%0.159SC..Hα-helixtrans-113-2-172.9-59.3103.824.400113.7A224 G225 R306A224-Q310 HydrophobicContact CB-CG 4.46Å; G225-Q310 WeakPolarHBondContact O-CB 3.43Å; R306-Q310 VanDerWaalsContact CD-OE1 3.31Å; R306-Q310 PolarHBondContact O-N 2.81Å; R306-Q310 PolarHBondContact O-OE1 3.16Å
311G94.6Very high97.2Very high21 Ų2134 Ų3422%0.21616%0.161CC..  trans74179.3-169.300000112I307I307-G311 CarbonylContact O-C 3.58Å; I307-G311 WeakPolarHBondContact O-CA 3.29Å; I307-G311 PolarHBondContact O-N 2.79Å
312G96.1Very high97.1Very high7 Ų732 Ų327%0.07215%0.154CC..EExtended strand (participates in β ladder)trans118.5-161.6179.400000113.4F226 S227F226-G312 VanDerWaalsContact CE2-CA 3.45Å; S227-G312 WeakPolarHBondContact O-CA 3.32Å
313A98.1Very high96.9Very high1 Ų131.6 Ų31.61%0.00816%0.158CC..EExtended strand (participates in β ladder)trans-152.3155.4-18000000110.4W118 E122 S227 I228 F229 L425 L426W118-A313 HydrophobicContact CH2-CB 4Å; W118-A313 HydrophobicContact CZ2-CB 4.26Å; E122-A313 HydrophobicContact CB-CB 4.31Å; E122-A313 HydrophobicContact CG-CB 4.32Å; S227-A313 PolarHBondContact O-N 3.1Å; I228-A313 CarbonylContact C-O 3.58Å; I228-A313 WeakPolarHBondContact CA-O 3.28Å; F229-A313 WeakPolarHBondContact CD2-O 3.44Å; F229-A313 PolarHBondContact N-O 2.99Å; A313-L425 CarbonylContact C-O 3.6Å; A313-L425 VanDerWaalsContact CA-O 3.29Å; A313-L425 WeakPolarHBondContact CA-O 3.18Å; A313-L426 HydrophobicContact CB-CD2 3.64Å
314A98.6Very high96.6Very high1 Ų136.7 Ų36.71%0.00819%0.189CC..EExtended strand (participates in β ladder)trans-124.8143.3166.500000110.6F229 L303 I307 C424 L425F229-A314 HydrophobicContact CB-CB 3.88Å; F229-A314 HydrophobicContact CD2-CB 4.41Å; F229-A314 CarbonylContact O-C 3.52Å; F229-A314 VanDerWaalsContact O-CA 3.29Å; F229-A314 WeakPolarHBondContact O-CA 3.17Å; L303-A314 HydrophobicContact CD1-CB 4.36Å; I307-A314 HydrophobicContact CD1-CB 3.88Å; A314-C424 CarbonylContact O-C 3.56Å; A314-C424 VanDerWaalsContact O-CA 3.28Å; A314-C424 WeakPolarHBondContact O-CA 3.35Å; A314-C424 PolarHBondContact O-SG 3.47Å; A314-C424 VanDerWaalsContact O-SG 3.33Å; A314-L425 HydrophobicContact CB-CB 4.1Å; A314-L425 HydrophobicContact CB-CD1 4.25Å; A314-L425 HydrophobicContact CB-CG 4.29Å; A314-L425 PolarHBondContact N-O 3.09Å; A314-L425 PolarHBondContact O-N 3.05Å
315L98.7Very high96.4Very high2 Ų240.4 Ų40.41%0.0120%0.204CC..EExtended strand (participates in β ladder)trans-121.5118.2169.5-168.166.7000109.4L115 W118 F229 V230 A231 F377 F422 C424L115-L315 HydrophobicContact CG-CD2 4.22Å; W118-L315 HydrophobicContact CD2-CD2 4.05Å; W118-L315 HydrophobicContact CE3-CB 4.31Å; W118-L315 HydrophobicContact CE3-CD2 3.97Å; W118-L315 HydrophobicContact CH2-CB 3.56Å; W118-L315 HydrophobicContact CH2-CG 4.49Å; W118-L315 HydrophobicContact CZ2-CB 3.99Å; W118-L315 HydrophobicContact CZ2-CD1 4.25Å; W118-L315 HydrophobicContact CZ3-CB 3.72Å; W118-L315 HydrophobicContact CZ3-CD2 4.23Å; F229-L315 PolarHBondContact O-N 2.82Å; V230-L315 WeakPolarHBondContact CA-O 3.37Å; V230-L315 HydrophobicContact CG2-CB 4.31Å; A231-L315 PolarHBondContact N-O 3.07Å; L315-F377 HydrophobicContact CD1-CE2 4.09Å; L315-F377 HydrophobicContact CD1-CZ 4.32Å; L315-F377 HydrophobicContact CD2-CE1 4.26Å; L315-F377 HydrophobicContact CD2-CE2 4.31Å; L315-F377 HydrophobicContact CD2-CZ 3.71Å; L315-F422 HydrophobicContact CD1-CD1 4.05Å; L315-F422 HydrophobicContact CD2-CD1 3.99Å; L315-F422 HydrophobicContact CD2-CE1 4.11Å; L315-F422 HydrophobicContact CG-CD1 4.08Å; L315-C424 HydrophobicContact CD1-CB 4.16Å
316I98.7Very high96.2Very high1 Ų135.6 Ų35.61%0.00519%0.192CC..EExtended strand (participates in β ladder)trans-108.1122177.2-57.7171.6000107A231 F235 V300 F355 L358 F422 L423A231-I316 WeakPolarHBondContact O-CA 3.47Å; F235-I316 HydrophobicContact CD2-CG2 3.55Å; F235-I316 HydrophobicContact CE2-CB 4.42Å; F235-I316 HydrophobicContact CE2-CD1 3.96Å; F235-I316 HydrophobicContact CE2-CG1 3.96Å; F235-I316 HydrophobicContact CE2-CG2 3.63Å; F235-I316 HydrophobicContact CG-CG2 4.41Å; F235-I316 HydrophobicContact CZ-CD1 4.01Å; F235-I316 HydrophobicContact CZ-CG1 4.49Å; V300-I316 HydrophobicContact CG2-CD1 3.84Å; I316-F355 HydrophobicContact CG2-CE1 4.07Å; I316-L358 HydrophobicContact CD1-CD1 4.39Å; I316-L358 HydrophobicContact CG2-CD1 4.18Å; I316-F422 CarbonylContact O-C 3.42Å; I316-F422 WeakPolarHBondContact O-CA 3.36Å; I316-L423 PolarHBondContact N-O 3.25Å; I316-L423 PolarHBondContact O-N 3.26Å
317A98.1Very high96Very high1 Ų138.8 Ų38.81%0.00821%0.211CC..EExtended strand (participates in β ladder)trans-132.4111.8-175.400000110.4A231 H232 E233 L421 F422A231-A317 PolarHBondContact O-N 2.78Å; H232-A317 WeakPolarHBondContact CA-O 3.4Å; E233-A317 PolarHBondContact N-O 2.89Å; A317-L421 WeakPolarHBondContact CA-O 3.49Å; A317-F422 HydrophobicContact CB-CD1 3.86Å; A317-F422 HydrophobicContact CB-CD2 4.06Å; A317-F422 HydrophobicContact CB-CE1 3.58Å; A317-F422 HydrophobicContact CB-CE2 3.77Å; A317-F422 HydrophobicContact CB-CG 4.08Å; A317-F422 HydrophobicContact CB-CZ 3.53Å
318D98.1Very high96Very high0 Ų039.4 Ų39.40%021%0.214CC..EExtended strand (participates in β ladder)trans-155.8165.2-172.7-135.9-43.9000113.1F234 F235 D236 V353 F355 F420 L421F234-D318 PolarHBondContact N-OD2 2.94Å; F235-D318 PolarHBondContact N-OD2 2.85Å; D236-D318 VanDerWaalsContact CB-OD1 3.31Å; D236-D318 WeakPolarHBondContact CB-OD1 3.22Å; D236-D318 PolarHBondContact N-OD2 3.12Å; D318-V353 HydrophobicContact CB-CB 4.3Å; D318-V353 HydrophobicContact CB-CG2 3.69Å; D318-F355 HydrophobicContact CB-CZ 4.11Å; D318-F420 WeakPolarHBondContact O-CA 3.25Å; D318-L421 PolarHBondContact N-O 3.25Å; D318-L421 VanDerWaalsContact N-O 3.08Å; D318-L421 PolarHBondContact O-N 3.49Å
319Y94.8Very high96Very high43 Ų4334.4 Ų34.417%0.16919%0.191CC..EExtended strand (participates in β ladder)trans-63.5133166.2-67.1-82.4000109.3V353 R419 F420Y319-V353 WeakPolarHBondContact O-CB 3.38Å; Y319-V353 PolarHBondContact O-N 3.32Å; Y319-R419 HydrophobicContact CD1-CB 3.99Å; Y319-R419 HydrophobicContact CE1-CB 4.22Å; Y319-F420 AromaticContact CD1-CD2 3.9Å; Y319-F420 HydrophobicContact CD1-CD2 3.9Å; Y319-F420 AromaticContact CD1-CE2 3.68Å; Y319-F420 HydrophobicContact CD1-CE2 3.68Å; Y319-F420 HydrophobicContact CD1-CZ 4.15Å; Y319-F420 AromaticContact CD2-CE1 3.97Å; Y319-F420 HydrophobicContact CD2-CE1 3.97Å; Y319-F420 AromaticContact CD2-CE2 3.93Å; Y319-F420 HydrophobicContact CD2-CE2 3.93Å; Y319-F420 AromaticContact CD2-CZ 3.52Å; Y319-F420 HydrophobicContact CD2-CZ 3.52Å; Y319-F420 AromaticContact CE1-CD2 3.66Å; Y319-F420 HydrophobicContact CE1-CD2 3.66Å; Y319-F420 AromaticContact CE1-CE2 3.12Å; Y319-F420 HydrophobicContact CE1-CE2 3.12Å; Y319-F420 AromaticContact CE1-CZ 3.78Å; Y319-F420 HydrophobicContact CE1-CZ 3.78Å; Y319-F420 HydrophobicContact CE2-CD2 4.47Å; Y319-F420 AromaticContact CE2-CE1 3.96Å; Y319-F420 HydrophobicContact CE2-CE1 3.96Å; Y319-F420 AromaticContact CE2-CE2 3.42Å; Y319-F420 HydrophobicContact CE2-CE2 3.42Å; Y319-F420 VanDerWaalsContact CE2-CE2 3.42Å; Y319-F420 AromaticContact CE2-CZ 3.08Å; Y319-F420 HydrophobicContact CE2-CZ 3.08Å; Y319-F420 HydrophobicContact CG-CD2 4.41Å; Y319-F420 HydrophobicContact CG-CE1 4.39Å; Y319-F420 HydrophobicContact CG-CE2 4.06Å; Y319-F420 HydrophobicContact CG-CZ 4.04Å; Y319-F420 AromaticContact CZ-CD2 3.98Å; Y319-F420 AromaticContact CZ-CE2 2.97Å; Y319-F420 AromaticContact CZ-CZ 3.23Å; Y319-F420 VanDerWaalsContact OH-CE2 3.24Å; Y319-F420 WeakPolarHBondContact OH-CE2 3.43Å
320G96.4Very high96.1Very high6 Ų631 Ų316%0.06217%0.173CC..EExtended strand (participates in β ladder)trans-173.3-163.5-175.200000117.7K325 V353 R419G320-K325 PolarHBondContact O-NZ 2.96Å; G320-V353 CarbonylContact C-O 3.52Å; G320-V353 WeakPolarHBondContact CA-O 3.28Å; G320-R419 PolarHBondContact N-O 2.71Å
321H96.8Very high95.9Very high10 Ų1028.4 Ų28.45%0.04616%0.16CC..EExtended strand (participates in β ladder)trans-155.6172.8173.462.990.3000110.4G323 T324 K325 V353 D354 F355H321-G323 PolarHBondContact ND1-N 2.85Å; H321-T324 PolarHBondContact ND1-N 3.22Å; H321-K325 HydrophobicContact CB-CB 4.19Å; H321-K325 HydrophobicContact CB-CD 3.79Å; H321-K325 HydrophobicContact CB-CG 3.7Å; H321-K325 VanDerWaalsContact CD2-CB 3.48Å; H321-K325 WeakPolarHBondContact CD2-CB 3.4Å; H321-K325 PolarHBondContact ND1-N 2.71Å; H321-V353 PolarHBondContact N-O 3.04Å; H321-D354 IonicContact CE1-OD1 3.55Å; H321-D354 IonicContact CE1-OD2 2.71Å; H321-D354 PolarHBondContact CE1-OD2 3.19Å; H321-D354 IonicContact ND1-OD1 3.87Å; H321-F355 PolarHBondContact O-N 3.35Å
322D95.9Very high95.7Very high60 Ų6029.2 Ų29.232%0.32116%0.158SC..SBendtrans-115.570.6177.9-164.321.7000110T324 S356 R359 P371D322-T324 VanDerWaalsContact C-N 3.31Å; D322-T324 PolarHBondContact O-N 2.53Å; D322-S356 WeakPolarHBondContact OD1-CA 3.47Å; D322-S356 WeakPolarHBondContact OD1-CB 3.29Å; D322-S356 PolarHBondContact OD1-N 3.12Å; D322-S356 VanDerWaalsContact OD1-N 3.09Å; D322-R359 IonicContact OD1-CZ 3.82Å; D322-R359 IonicContact OD1-NH2 2.73Å; D322-R359 PolarHBondContact OD1-NH2 3.29Å; D322-R359 IonicContact OD2-CZ 2.81Å; D322-R359 IonicContact OD2-NH2 3.83Å; D322-R359 PolarHBondContact OD2-NH2 2.95Å; D322-P371 HydrophobicContact CB-CG 3.92Å
323G93.9Very high95.2Very high23 Ų2332.9 Ų32.924%0.23717%0.172CC..SBendtrans73.211.5-179.900000116.4H321 D354 S356H321-G323 PolarHBondContact ND1-N 2.85Å; G323-D354 WeakPolarHBondContact CA-OD1 3.48Å; G323-D354 PolarHBondContact N-OD1 2.9Å; G323-S356 WeakPolarHBondContact CA-OG 3.4Å; G323-S356 PolarHBondContact N-OG 2.8Å
324T93.3Very high94.5Very high109 Ų10934.9 Ų34.967%0.66919%0.192SC*.  trans-103.5-29.5-173.655.30000115.8H321 D322H321-T324 PolarHBondContact ND1-N 3.22Å; D322-T324 VanDerWaalsContact C-N 3.31Å; D322-T324 PolarHBondContact O-N 2.53Å
325K94.3Very high93.5Very high83 Ų8339.8 Ų39.836%0.36122%0.215SC..  trans-89.2168179.4-57.1176.3-179.7160.60111.6R287 G320 H321 T328 D352R287-K325 WeakPolarHBondContact CD-O 3.48Å; R287-K325 PolarHBondContact NH1-O 3.15Å; R287-K325 VanDerWaalsContact NH1-O 3.1Å; G320-K325 PolarHBondContact O-NZ 2.96Å; H321-K325 HydrophobicContact CB-CB 4.19Å; H321-K325 HydrophobicContact CB-CD 3.79Å; H321-K325 HydrophobicContact CB-CG 3.7Å; H321-K325 VanDerWaalsContact CD2-CB 3.48Å; H321-K325 WeakPolarHBondContact CD2-CB 3.4Å; H321-K325 PolarHBondContact ND1-N 2.71Å; K325-T328 HydrophobicContact CB-CG2 3.81Å; K325-T328 HydrophobicContact CD-CG2 4.01Å; K325-D352 WeakPolarHBondContact CD-OD2 3.39Å; K325-D352 WeakPolarHBondContact CE-OD2 3.49Å; K325-D352 IonicContact NZ-OD2 2.74Å; K325-D352 PolarHBondContact NZ-OD2 3.05Å
326T93.6Very high92.8Very high54 Ų5449.1 Ų49.133%0.33125%0.25SS..  trans-127.1-78.1-169.353.60000111.8R287 H289 E291R287-T326 HydrophobicContact CB-CG2 4.14Å; R287-T326 HydrophobicContact CG-CG2 4.15Å; H289-T326 WeakPolarHBondContact O-CB 3.35Å; H289-T326 WeakPolarHBondContact O-CG2 3.3Å; E291-T326 WeakPolarHBondContact CG-O 3.46Å
327D93.4Very high92.4Very high88 Ų8855.2 Ų55.247%0.47128%0.282SS..  trans-102.5115.1176.2-168-26.3000110.1K242K242-D327 IonicContact NZ-OD1 3.4Å; K242-D327 PolarHBondContact NZ-OD1 2.72Å; K242-D327 IonicContact NZ-OD2 3.9Å; K242-D327 PolarHBondContact NZ-OD2 2.87Å
328T96.2Very high92.1Very high14 Ų1457.6 Ų57.69%0.08629%0.293CS..  trans-133.4-9-177.976.50000113.8E291 K325 R330 D352E291-T328 VanDerWaalsContact CD-N 3.31Å; E291-T328 PolarHBondContact OE1-N 3.42Å; E291-T328 WeakPolarHBondContact OE2-CB 3.24Å; E291-T328 PolarHBondContact OE2-N 2.91Å; E291-T328 VanDerWaalsContact OE2-N 3.16Å; E291-T328 PolarHBondContact OE2-OG1 2.85Å; K325-T328 HydrophobicContact CB-CG2 3.81Å; K325-T328 HydrophobicContact CD-CG2 4.01Å; T328-R330 WeakPolarHBondContact O-CG 3.31Å; T328-R330 PolarHBondContact O-N 3.37Å; T328-R330 PolarHBondContact O-NH1 3.04Å; T328-D352 HydrophobicContact CG2-CB 3.85Å; T328-D352 WeakPolarHBondContact OG1-CB 3.3Å; T328-D352 PolarHBondContact OG1-N 3.41Å
329F96.8Very high91.9Very high16 Ų1662.4 Ų62.47%0.0732%0.319CS..  trans-57.5120.1176178.7-118.2000112V73 Y76 M77 V240 K242 E291 V340 L349 T350V73-F329 HydrophobicContact CG1-CD1 4.04Å; V73-F329 HydrophobicContact CG1-CD2 4.39Å; V73-F329 HydrophobicContact CG1-CE1 3.81Å; V73-F329 HydrophobicContact CG1-CE2 4.2Å; V73-F329 HydrophobicContact CG1-CG 4.31Å; V73-F329 HydrophobicContact CG1-CZ 3.9Å; Y76-F329 HydrophobicContact CD1-CZ 4.25Å; Y76-F329 HydrophobicContact CE1-CZ 4.32Å; M77-F329 HydrophobicContact CG-CE2 4.39Å; M77-F329 HydrophobicContact SD-CD2 4.36Å; M77-F329 HydrophobicContact SD-CE2 3.94Å; V240-F329 HydrophobicContact CG2-CD2 4.37Å; K242-F329 HydrophobicContact CD-CB 3.84Å; K242-F329 HydrophobicContact CD-CD1 4.11Å; K242-F329 HydrophobicContact CD-CG 4.19Å; E291-F329 WeakPolarHBondContact OE1-CB 3.48Å; E291-F329 PolarHBondContact OE1-N 2.82Å; F329-V340 HydrophobicContact CD1-CB 4.4Å; F329-V340 HydrophobicContact CD1-CG1 4.12Å; F329-V340 HydrophobicContact CD1-CG2 4.12Å; F329-V340 HydrophobicContact CE1-CB 3.69Å; F329-V340 HydrophobicContact CE1-CG1 3.83Å; F329-V340 HydrophobicContact CE1-CG2 3.55Å; F329-V340 HydrophobicContact CZ-CB 4.03Å; F329-V340 HydrophobicContact CZ-CG1 4.14Å; F329-V340 HydrophobicContact CZ-CG2 4.36Å; F329-L349 HydrophobicContact CE2-CB 4.07Å; F329-L349 HydrophobicContact CE2-CD1 4.26Å; F329-L349 HydrophobicContact CZ-CD1 4.04Å; F329-L349 HydrophobicContact CZ-CD2 4.42Å; F329-T350 WeakPolarHBondContact CA-O 3.45Å
330R95.4Very high92Very high57 Ų5761.4 Ų61.422%0.21532%0.317CS..EExtended strand (participates in β ladder)trans-152.4159.5-171.761.4-169.2178.4-97.20.9111.7T328 F332 L337 T350 D352T328-R330 WeakPolarHBondContact O-CG 3.31Å; T328-R330 PolarHBondContact O-N 3.37Å; T328-R330 PolarHBondContact O-NH1 3.04Å; R330-F332 HydrophobicContact CG-CD2 4.36Å; R330-F332 HydrophobicContact CG-CE2 3.69Å; R330-F332 HydrophobicContact CG-CZ 4.48Å; R330-L337 HydrophobicContact CB-CD2 4.34Å; R330-T350 HydrophobicContact CG-CG2 3.69Å; R330-T350 PolarHBondContact N-O 3.02Å; R330-T350 PolarHBondContact O-N 3.38Å; R330-D352 IonicContact CZ-OD1 2.81Å; R330-D352 IonicContact NH1-OD1 3.74Å; R330-D352 PolarHBondContact NH1-OD1 3.43Å; R330-D352 IonicContact NH2-OD1 2.72Å; R330-D352 PolarHBondContact NH2-OD1 3.39Å
331G92.7Very high91.9Very high0 Ų062 Ų620%032%0.318CS..EExtended strand (participates in β ladder)trans-112.6149179.400000111.8L337 H338 V340 D348G331-L337 WeakPolarHBondContact O-CA 3.37Å; G331-H338 WeakPolarHBondContact CA-O 3.43Å; G331-H338 PolarHBondContact N-O 2.9Å; G331-H338 PolarHBondContact O-N 3.21Å; G331-V340 VanDerWaalsContact N-CG1 3.27Å; G331-D348 CarbonylContact C-O 3.57Å; G331-D348 WeakPolarHBondContact CA-O 3.31Å
332F89.1Confident91.7Very high38 Ų3865 Ų6517%0.16734%0.34CS..EExtended strand (participates in β ladder)trans-130.9138.2172.8-70.9-96.7000112.1F101 R330 R336 L337 A347 D348 T350F101-F332 HydrophobicContact CE1-CB 4.05Å; F101-F332 AromaticContact CE1-CD1 3.89Å; F101-F332 HydrophobicContact CE1-CD1 3.89Å; F101-F332 AromaticContact CE1-CD2 3.94Å; F101-F332 HydrophobicContact CE1-CD2 3.94Å; F101-F332 HydrophobicContact CE1-CE1 4.25Å; F101-F332 HydrophobicContact CE1-CE2 4.22Å; F101-F332 AromaticContact CE1-CG 3.71Å; F101-F332 HydrophobicContact CE1-CG 3.71Å; F101-F332 HydrophobicContact CE1-CZ 4.38Å; F101-F332 HydrophobicContact CE2-CB 3.63Å; F101-F332 HydrophobicContact CE2-CD2 4.1Å; F101-F332 HydrophobicContact CE2-CG 4.02Å; F101-F332 HydrophobicContact CZ-CB 3.34Å; F101-F332 AromaticContact CZ-CD1 3.89Å; F101-F332 HydrophobicContact CZ-CD1 3.89Å; F101-F332 AromaticContact CZ-CD2 3.21Å; F101-F332 HydrophobicContact CZ-CD2 3.21Å; F101-F332 HydrophobicContact CZ-CE1 4.44Å; F101-F332 AromaticContact CZ-CE2 3.8Å; F101-F332 HydrophobicContact CZ-CE2 3.8Å; F101-F332 AromaticContact CZ-CG 3.2Å; F101-F332 HydrophobicContact CZ-CG 3.2Å; F101-F332 HydrophobicContact CZ-CZ 4.39Å; R330-F332 HydrophobicContact CG-CD2 4.36Å; R330-F332 HydrophobicContact CG-CE2 3.69Å; R330-F332 HydrophobicContact CG-CZ 4.48Å; F332-R336 VanDerWaalsContact CA-O 3.31Å; F332-R336 WeakPolarHBondContact CA-O 3.31Å; F332-L337 HydrophobicContact CD1-CD2 4.41Å; F332-L337 HydrophobicContact CE1-CD2 3.8Å; F332-L337 HydrophobicContact CE1-CG 4.28Å; F332-L337 HydrophobicContact CE2-CD2 4.18Å; F332-L337 HydrophobicContact CZ-CD2 3.69Å; F332-A347 WeakPolarHBondContact O-CA 3.32Å; F332-A347 WeakPolarHBondContact O-CB 3.41Å; F332-D348 PolarHBondContact N-O 2.79Å; F332-D348 PolarHBondContact O-N 2.83Å; F332-T350 HydrophobicContact CD2-CG2 3.86Å; F332-T350 HydrophobicContact CE2-CG2 3.69Å
333K87Confident91.4Very high83 Ų8365 Ų6536%0.36134%0.341SS..EExtended strand (participates in β ladder)trans-147.3122.6176.7-168.4174.5-177.7178.80109.6H335 R336 H338 D343 G346 A347K333-H335 PolarHBondContact O-N 3.36Å; K333-R336 PolarHBondContact N-O 3.17Å; K333-R336 PolarHBondContact O-N 3.2Å; K333-H338 HydrophobicContact CB-CB 3.96Å; K333-D343 IonicContact NZ-OD2 3.03Å; K333-D343 PolarHBondContact NZ-OD2 3.16Å; K333-G346 WeakPolarHBondContact CD-O 3.35Å; K333-G346 WeakPolarHBondContact CE-O 3.43Å; K333-A347 HydrophobicContact CB-CB 4.09Å; K333-A347 HydrophobicContact CD-CB 4.5Å
334G81.8Confident91.3Very high43 Ų4364.4 Ų64.444%0.44333%0.333SS..THydrogen-bonded Turntrans56.345.1-177.500000113.4D100 R336D100-G334 PolarHBondContact OD1-N 2.58Å; G334-R336 VanDerWaalsContact C-N 3.26Å; G334-R336 PolarHBondContact O-N 3.18Å
335H77.8Confident91.1Very high104 Ų10459.5 Ų59.548%0.48130%0.303SS..THydrogen-bonded Turntrans61.923.4-178-50.8112.8000115.5G99 D100 K333G99-H335 PolarHBondContact O-CE1 3.26Å; G99-H335 VanDerWaalsContact O-CE1 3.3Å; G99-H335 PolarHBondContact O-NE2 3.22Å; D100-H335 PolarHBondContact O-CD2 2.73Å; K333-H335 PolarHBondContact O-N 3.36Å
336R85.2Confident90.8Very high198 Ų19856.3 Ų56.375%0.74729%0.294SS*.EExtended strand (participates in β ladder)trans-129.3150.5177-61.1-176.4-171-1651.8111.1F332 K333 G334 H338F332-R336 VanDerWaalsContact CA-O 3.31Å; F332-R336 WeakPolarHBondContact CA-O 3.31Å; K333-R336 PolarHBondContact N-O 3.17Å; K333-R336 PolarHBondContact O-N 3.2Å; G334-R336 VanDerWaalsContact C-N 3.26Å; G334-R336 PolarHBondContact O-N 3.18Å; R336-H338 PolarHBondContact O-N 2.84Å
337L90.4Very high90.6Very high129 Ų12953.9 Ų53.968%0.67528%0.28SS*.EExtended strand (participates in β ladder)trans-56.9134.1169.2-74.6172000109.6R330 G331 F332R330-L337 HydrophobicContact CB-CD2 4.34Å; G331-L337 WeakPolarHBondContact O-CA 3.37Å; F332-L337 HydrophobicContact CD1-CD2 4.41Å; F332-L337 HydrophobicContact CE1-CD2 3.8Å; F332-L337 HydrophobicContact CE1-CG 4.28Å; F332-L337 HydrophobicContact CE2-CD2 4.18Å; F332-L337 HydrophobicContact CZ-CD2 3.69Å
338H91.6Very high90.4Very high52 Ų5250.6 Ų50.624%0.24126%0.262CS..EExtended strand (participates in β ladder)trans-130.9142.4-178-167.965.6000109.2G331 K333 R336 V340 S342 A347G331-H338 WeakPolarHBondContact CA-O 3.43Å; G331-H338 PolarHBondContact N-O 2.9Å; G331-H338 PolarHBondContact O-N 3.21Å; K333-H338 HydrophobicContact CB-CB 3.96Å; R336-H338 PolarHBondContact O-N 2.84Å; H338-V340 PolarHBondContact O-N 2.87Å; H338-S342 PolarHBondContact CE1-OG 3.26Å; H338-S342 VanDerWaalsContact CE1-OG 3.31Å; H338-S342 PolarHBondContact NE2-OG 3.08Å; H338-A347 HydrophobicContact CB-CB 4.34Å; H338-A347 VanDerWaalsContact CD2-CB 3.4Å; H338-A347 WeakPolarHBondContact CD2-CB 3.22Å
339D94.1Very high90.3Very high101 Ų10150 Ų5054%0.5426%0.259SS..  trans-64.3123.2174.9-179.6129.2000109.1L341 S342D339-L341 PolarHBondContact O-N 3.31Å; D339-L341 VanDerWaalsContact O-N 3.12Å; D339-L341 WeakPolarHBondContact OD2-CA 3.5Å; D339-L341 PolarHBondContact OD2-N 2.67Å; D339-S342 PolarHBondContact O-N 2.74Å; D339-S342 PolarHBondContact O-OG 2.75Å; D339-S342 VanDerWaalsContact O-OG 3.04Å; D339-S342 PolarHBondContact OD2-N 2.73Å
340V95.4Very high90.2Very high21 Ų2149.4 Ų49.413%0.12726%0.256CS..THydrogen-bonded Turntrans-61-20.8-173.4-62.60000113.8Y76 F329 G331 H338 L349Y76-V340 WeakPolarHBondContact CE1-O 3.06Å; Y76-V340 PolarHBondContact OH-O 2.74Å; F329-V340 HydrophobicContact CD1-CB 4.4Å; F329-V340 HydrophobicContact CD1-CG1 4.12Å; F329-V340 HydrophobicContact CD1-CG2 4.12Å; F329-V340 HydrophobicContact CE1-CB 3.69Å; F329-V340 HydrophobicContact CE1-CG1 3.83Å; F329-V340 HydrophobicContact CE1-CG2 3.55Å; F329-V340 HydrophobicContact CZ-CB 4.03Å; F329-V340 HydrophobicContact CZ-CG1 4.14Å; F329-V340 HydrophobicContact CZ-CG2 4.36Å; G331-V340 VanDerWaalsContact N-CG1 3.27Å; H338-V340 PolarHBondContact O-N 2.87Å; V340-L349 HydrophobicContact CB-CD2 3.93Å; V340-L349 HydrophobicContact CG1-CD2 3.93Å
341L96Very high90.3Very high18 Ų1846.8 Ų46.89%0.09425%0.247CC..THydrogen-bonded Turntrans-106.7-13.1-175.2-63.8-168.7000113.7Y76 V255 L265 L267 D339Y76-L341 HydrophobicContact CD1-CD2 4.36Å; Y76-L341 HydrophobicContact CE1-CD2 3.78Å; Y76-L341 HydrophobicContact CE2-CD2 4.25Å; V255-L341 HydrophobicContact CG1-CD2 4Å; V255-L341 HydrophobicContact CG2-CD2 4.3Å; L265-L341 HydrophobicContact CB-CB 4.08Å; L265-L341 HydrophobicContact CB-CD1 4.08Å; L265-L341 HydrophobicContact CB-CD2 4.3Å; L265-L341 HydrophobicContact CB-CG 4.37Å; L267-L341 HydrophobicContact CD2-CD1 4.26Å; L267-L341 HydrophobicContact CG-CD1 4.09Å; D339-L341 PolarHBondContact O-N 3.31Å; D339-L341 VanDerWaalsContact O-N 3.12Å; D339-L341 WeakPolarHBondContact OD2-CA 3.5Å; D339-L341 PolarHBondContact OD2-N 2.67Å
342S91.8Very high90.5Very high73 Ų7347.6 Ų47.651%0.5125%0.251SS..THydrogen-bonded Turntrans-77.9-32.4-169.269.20000115.2H338 D339H338-S342 PolarHBondContact CE1-OG 3.26Å; H338-S342 VanDerWaalsContact CE1-OG 3.31Å; H338-S342 PolarHBondContact NE2-OG 3.08Å; D339-S342 PolarHBondContact O-N 2.74Å; D339-S342 PolarHBondContact O-OG 2.75Å; D339-S342 VanDerWaalsContact O-OG 3.04Å; D339-S342 PolarHBondContact OD2-N 2.73Å
343D89.9Confident90.9Very high62 Ų6246.3 Ų46.333%0.33225%0.246SC..SBendtrans-137.872.3177-173.925.9000111.6K333 G345 G346K333-D343 IonicContact NZ-OD2 3.03Å; K333-D343 PolarHBondContact NZ-OD2 3.16Å; D343-G345 PolarHBondContact O-N 2.83Å; D343-G346 PolarHBondContact O-N 3.32Å; D343-G346 WeakPolarHBondContact OD2-CA 3.45Å
344P92.5Very high91.4Very high10 Ų1043 Ų437%0.06523%0.232CC..THydrogen-bonded Turntrans-57123.7-177.4-24.434.4000111.9M57 L58 L61 Y76 V80 L265 G346M57-P344 HydrophobicContact CB-CB 4.42Å; M57-P344 VanDerWaalsContact CB-O 3.25Å; M57-P344 WeakPolarHBondContact CB-O 3.41Å; M57-P344 HydrophobicContact CG-CB 3.78Å; M57-P344 WeakPolarHBondContact CG-O 3.42Å; L58-P344 HydrophobicContact CD1-CG 4.42Å; L61-P344 HydrophobicContact CD1-CB 3.66Å; L61-P344 HydrophobicContact CD1-CG 4.14Å; Y76-P344 HydrophobicContact CE2-CB 4.24Å; Y76-P344 HydrophobicContact CE2-CG 4.36Å; V80-P344 HydrophobicContact CG2-CB 3.77Å; L265-P344 HydrophobicContact CD1-CG 3.82Å; P344-G346 VanDerWaalsContact C-N 3.32Å
345G88.5Confident92.2Very high5 Ų541 Ų415%0.05221%0.211CC..THydrogen-bonded Turntrans82.92.6-17800000114.7V80 R91 D343V80-G345 VanDerWaalsContact CG1-N 3.32Å; R91-G345 PolarHBondContact NH2-O 2.82Å; D343-G345 PolarHBondContact O-N 2.83Å
346G87.8Confident93.1Very high17 Ų1737 Ų3718%0.17520%0.195CC..THydrogen-bonded Turntrans-111.2-4.6177.800000115K333 D343 P344K333-G346 WeakPolarHBondContact CD-O 3.35Å; K333-G346 WeakPolarHBondContact CE-O 3.43Å; D343-G346 PolarHBondContact O-N 3.32Å; D343-G346 WeakPolarHBondContact OD2-CA 3.45Å; P344-G346 VanDerWaalsContact C-N 3.32Å
347A89.1Confident93.7Very high3 Ų328.6 Ų28.63%0.02516%0.164CC..SBendtrans-131.5151.6175.900000110.5Y88 F332 K333 H338Y88-A347 VanDerWaalsContact CD2-C 3.45Å; Y88-A347 WeakPolarHBondContact CD2-O 3.34Å; F332-A347 WeakPolarHBondContact O-CA 3.32Å; F332-A347 WeakPolarHBondContact O-CB 3.41Å; K333-A347 HydrophobicContact CB-CB 4.09Å; K333-A347 HydrophobicContact CD-CB 4.5Å; H338-A347 HydrophobicContact CB-CB 4.34Å; H338-A347 VanDerWaalsContact CD2-CB 3.4Å; H338-A347 WeakPolarHBondContact CD2-CB 3.22Å
348D89.4Confident94Very high19 Ų1922.6 Ų22.610%0.10213%0.133CC..EExtended strand (participates in β ladder)trans-75.6138173.3-155.1-6.8000109.4Y88 Y89 F101 G331 F332Y88-D348 HydrophobicContact CD1-CB 4.33Å; Y88-D348 HydrophobicContact CE1-CB 3.47Å; Y88-D348 VanDerWaalsContact CE1-CB 3.47Å; Y88-D348 WeakPolarHBondContact CE1-OD1 3.19Å; Y88-D348 HydrophobicContact CE2-CB 4.26Å; Y88-D348 VanDerWaalsContact CE2-N 3.28Å; Y88-D348 VanDerWaalsContact CZ-CB 3.44Å; Y88-D348 WeakPolarHBondContact OH-CB 3.18Å; Y89-D348 PolarHBondContact OH-OD1 2.91Å; F101-D348 HydrophobicContact CD2-CB 4.18Å; F101-D348 WeakPolarHBondContact CD2-OD2 3.44Å; F101-D348 HydrophobicContact CE2-CB 3.66Å; F101-D348 WeakPolarHBondContact CE2-OD2 3.45Å; G331-D348 CarbonylContact C-O 3.57Å; G331-D348 WeakPolarHBondContact CA-O 3.31Å; F332-D348 PolarHBondContact N-O 2.79Å; F332-D348 PolarHBondContact O-N 2.83Å
349L93.8Very high94.3Very high2 Ų224.3 Ų24.31%0.0114%0.137CC..EExtended strand (participates in β ladder)trans-115132.2178.7-59.2-178.5000108.5Y76 M77 V80 L81 F329 V340Y76-L349 HydrophobicContact CD1-CD1 4.25Å; Y76-L349 HydrophobicContact CE1-CD1 3.73Å; M77-L349 HydrophobicContact CG-CB 4.32Å; M77-L349 HydrophobicContact CG-CD1 4.43Å; V80-L349 HydrophobicContact CB-CD1 3.94Å; V80-L349 HydrophobicContact CG1-CD1 3.49Å; V80-L349 VanDerWaalsContact CG1-CD1 3.49Å; V80-L349 HydrophobicContact CG1-CG 4.01Å; L81-L349 HydrophobicContact CD1-CB 4.27Å; L81-L349 HydrophobicContact CD2-CB 4.03Å; L81-L349 HydrophobicContact CD2-CG 4.33Å; L81-L349 HydrophobicContact CG-CB 4.3Å; F329-L349 HydrophobicContact CE2-CB 4.07Å; F329-L349 HydrophobicContact CE2-CD1 4.26Å; F329-L349 HydrophobicContact CZ-CD1 4.04Å; F329-L349 HydrophobicContact CZ-CD2 4.42Å; V340-L349 HydrophobicContact CB-CD2 3.93Å; V340-L349 HydrophobicContact CG1-CD2 3.93Å
350T94.8Very high94.3Very high3 Ų324.8 Ų24.82%0.01813%0.132CC..EExtended strand (participates in β ladder)trans-140.2151.7-178176.20000110.2D236 F329 R330 F332D236-T350 WeakPolarHBondContact CB-OG1 3.22Å; D236-T350 WeakPolarHBondContact O-CA 3.45Å; D236-T350 PolarHBondContact OD2-OG1 2.81Å; F329-T350 WeakPolarHBondContact CA-O 3.45Å; R330-T350 HydrophobicContact CG-CG2 3.69Å; R330-T350 PolarHBondContact N-O 3.02Å; R330-T350 PolarHBondContact O-N 3.38Å; F332-T350 HydrophobicContact CD2-CG2 3.86Å; F332-T350 HydrophobicContact CE2-CG2 3.69Å
351A97.1Very high94.4Very high2 Ų226.3 Ų26.32%0.01714%0.138CC..  trans-134.6143.6168.100000109.5D236 V240 V353D236-A351 VanDerWaalsContact CA-O 3.3Å; D236-A351 WeakPolarHBondContact CA-O 3.2Å; D236-A351 VanDerWaalsContact CB-O 3.3Å; D236-A351 WeakPolarHBondContact CB-O 3.24Å; D236-A351 PolarHBondContact O-N 2.91Å; D236-A351 VanDerWaalsContact O-N 3.1Å; V240-A351 HydrophobicContact CB-CB 4.42Å; V240-A351 HydrophobicContact CG1-CB 3.82Å; V240-A351 HydrophobicContact CG2-CB 3.76Å; A351-V353 PolarHBondContact O-N 3.13Å
352D97.4Very high94.4Very high17 Ų1725.8 Ų25.89%0.09114%0.136CC..  trans-62.7136.9177.5-75.54000110.6K325 T328 R330 D354K325-D352 WeakPolarHBondContact CD-OD2 3.39Å; K325-D352 WeakPolarHBondContact CE-OD2 3.49Å; K325-D352 IonicContact NZ-OD2 2.74Å; K325-D352 PolarHBondContact NZ-OD2 3.05Å; T328-D352 HydrophobicContact CG2-CB 3.85Å; T328-D352 WeakPolarHBondContact OG1-CB 3.3Å; T328-D352 PolarHBondContact OG1-N 3.41Å; R330-D352 IonicContact CZ-OD1 2.81Å; R330-D352 IonicContact NH1-OD1 3.74Å; R330-D352 PolarHBondContact NH1-OD1 3.43Å; R330-D352 IonicContact NH2-OD1 2.72Å; R330-D352 PolarHBondContact NH2-OD1 3.39Å; D352-D354 PolarHBondContact O-N 3.36Å
353V98.3Very high94.5Very high10 Ų1024.3 Ų24.36%0.06113%0.132CC..EExtended strand (participates in β ladder)trans-74.1124.2177.4179.50000110.6F235 D236 D318 Y319 G320 H321 A351 F355 L358F235-V353 HydrophobicContact CB-CG1 4.28Å; F235-V353 HydrophobicContact CB-CG2 3.55Å; D236-V353 HydrophobicContact CB-CG2 4.18Å; D318-V353 HydrophobicContact CB-CB 4.3Å; D318-V353 HydrophobicContact CB-CG2 3.69Å; Y319-V353 WeakPolarHBondContact O-CB 3.38Å; Y319-V353 PolarHBondContact O-N 3.32Å; G320-V353 CarbonylContact C-O 3.52Å; G320-V353 WeakPolarHBondContact CA-O 3.28Å; H321-V353 PolarHBondContact N-O 3.04Å; A351-V353 PolarHBondContact O-N 3.13Å; V353-F355 HydrophobicContact CB-CD2 4.29Å; V353-F355 HydrophobicContact CB-CE2 3.88Å; V353-F355 HydrophobicContact CB-CZ 4.36Å; V353-F355 HydrophobicContact CG1-CD2 4.08Å; V353-F355 HydrophobicContact CG1-CE1 4.44Å; V353-F355 HydrophobicContact CG1-CE2 3.91Å; V353-F355 HydrophobicContact CG1-CG 4.4Å; V353-F355 HydrophobicContact CG1-CZ 4.13Å; V353-F355 WeakPolarHBondContact O-CD2 3.3Å; V353-F355 PolarHBondContact O-N 2.85Å; V353-L358 HydrophobicContact CG1-CD1 3.43Å; V353-L358 VanDerWaalsContact CG1-CD1 3.43Å; V353-L358 HydrophobicContact CG1-CG 4.02Å
354D97.8Very high94.5Very high14 Ų1425.3 Ų25.38%0.07516%0.157CC..EExtended strand (participates in β ladder)trans-82.493.6169.4-167.9-19.6000110.2R287 H321 G323 D352 S356 F357 L358R287-D354 IonicContact CZ-OD2 3.78Å; R287-D354 IonicContact NH1-OD2 2.73Å; R287-D354 PolarHBondContact NH1-OD2 3.18Å; R287-D354 IonicContact NH2-OD2 3.74Å; R287-D354 PolarHBondContact NH2-OD2 3.29Å; H321-D354 IonicContact CE1-OD1 3.55Å; H321-D354 IonicContact CE1-OD2 2.71Å; H321-D354 PolarHBondContact CE1-OD2 3.19Å; H321-D354 IonicContact ND1-OD1 3.87Å; G323-D354 WeakPolarHBondContact CA-OD1 3.48Å; G323-D354 PolarHBondContact N-OD1 2.9Å; D352-D354 PolarHBondContact O-N 3.36Å; D354-S356 PolarHBondContact O-N 3.29Å; D354-S356 VanDerWaalsContact OD1-CB 3.25Å; D354-S356 WeakPolarHBondContact OD1-CB 3.44Å; D354-S356 PolarHBondContact OD1-N 3.41Å; D354-S356 PolarHBondContact OD1-OG 2.96Å; D354-F357 HydrophobicContact CB-CB 4.01Å; D354-F357 WeakPolarHBondContact O-CB 3.38Å; D354-F357 PolarHBondContact O-N 2.9Å; D354-F357 PolarHBondContact OD1-N 2.62Å; D354-L358 PolarHBondContact O-N 2.97Å; D354-L358 VanDerWaalsContact O-N 3.1Å
355F98.1Very high94.5Very high0 Ų025.7 Ų25.70%016%0.163CC..Hα-helixtrans-65-20.9179.5-74.7-87.7000113.1I316 D318 H321 V353 F357 L358 R359 P371 L421 L423I316-F355 HydrophobicContact CG2-CE1 4.07Å; D318-F355 HydrophobicContact CB-CZ 4.11Å; H321-F355 PolarHBondContact O-N 3.35Å; V353-F355 HydrophobicContact CB-CD2 4.29Å; V353-F355 HydrophobicContact CB-CE2 3.88Å; V353-F355 HydrophobicContact CB-CZ 4.36Å; V353-F355 HydrophobicContact CG1-CD2 4.08Å; V353-F355 HydrophobicContact CG1-CE1 4.44Å; V353-F355 HydrophobicContact CG1-CE2 3.91Å; V353-F355 HydrophobicContact CG1-CG 4.4Å; V353-F355 HydrophobicContact CG1-CZ 4.13Å; V353-F355 WeakPolarHBondContact O-CD2 3.3Å; V353-F355 PolarHBondContact O-N 2.85Å; F355-F357 VanDerWaalsContact C-N 3.33Å; F355-L358 HydrophobicContact CD1-CD1 4.38Å; F355-R359 VanDerWaalsContact O-CB 3.31Å; F355-R359 WeakPolarHBondContact O-CB 3.25Å; F355-R359 PolarHBondContact O-N 2.8Å; F355-P371 HydrophobicContact CB-CB 4.16Å; F355-P371 HydrophobicContact CB-CG 3.87Å; F355-P371 HydrophobicContact CD1-CB 4.36Å; F355-P371 HydrophobicContact CG-CB 4.15Å; F355-P371 HydrophobicContact CG-CG 4.37Å; F355-L421 HydrophobicContact CD2-CB 3.91Å; F355-L421 HydrophobicContact CD2-CD1 3.83Å; F355-L421 HydrophobicContact CD2-CG 4.47Å; F355-L421 HydrophobicContact CE2-CB 3.53Å; F355-L421 HydrophobicContact CE2-CD1 4.14Å; F355-L421 HydrophobicContact CE2-CG 4.33Å; F355-L421 HydrophobicContact CZ-CB 3.86Å; F355-L421 WeakPolarHBondContact CZ-O 3.43Å; F355-L423 HydrophobicContact CD1-CB 3.46Å; F355-L423 VanDerWaalsContact CD1-CB 3.46Å; F355-L423 HydrophobicContact CD1-CD2 3.95Å; F355-L423 HydrophobicContact CD1-CG 4.28Å; F355-L423 HydrophobicContact CE1-CB 3.7Å
356S96.3Very high94.8Very high20 Ų2026 Ų2614%0.1416%0.164CC..Hα-helixtrans-69.7-35.8173.183.50000111D322 G323 D354 R360D322-S356 WeakPolarHBondContact OD1-CA 3.47Å; D322-S356 WeakPolarHBondContact OD1-CB 3.29Å; D322-S356 PolarHBondContact OD1-N 3.12Å; D322-S356 VanDerWaalsContact OD1-N 3.09Å; G323-S356 WeakPolarHBondContact CA-OG 3.4Å; G323-S356 PolarHBondContact N-OG 2.8Å; D354-S356 PolarHBondContact O-N 3.29Å; D354-S356 VanDerWaalsContact OD1-CB 3.25Å; D354-S356 WeakPolarHBondContact OD1-CB 3.44Å; D354-S356 PolarHBondContact OD1-N 3.41Å; D354-S356 PolarHBondContact OD1-OG 2.96Å; S356-R360 WeakPolarHBondContact O-CG 3.36Å; S356-R360 PolarHBondContact O-N 2.81Å; S356-R360 PolarHBondContact O-NE 3.1Å
357F96.9Very high95.2Very high22 Ų2225.9 Ų25.910%0.09616%0.161CC..Hα-helixtrans-69.5-50.1174.2171.2-98.1000110.4V292 C293 D354 F355 R359 R360 M361V292-F357 HydrophobicContact CG1-CD2 4.38Å; V292-F357 HydrophobicContact CG1-CE2 3.83Å; V292-F357 HydrophobicContact CG1-CZ 3.96Å; C293-F357 WeakPolarHBondContact O-CE1 3.39Å; D354-F357 HydrophobicContact CB-CB 4.01Å; D354-F357 WeakPolarHBondContact O-CB 3.38Å; D354-F357 PolarHBondContact O-N 2.9Å; D354-F357 PolarHBondContact OD1-N 2.62Å; F355-F357 VanDerWaalsContact C-N 3.33Å; F357-R359 VanDerWaalsContact C-N 3.35Å; F357-R359 PolarHBondContact O-N 2.94Å; F357-R360 PolarHBondContact O-N 3.36Å; F357-R360 VanDerWaalsContact O-N 3.08Å; F357-M361 HydrophobicContact CD1-CG 4.28Å; F357-M361 HydrophobicContact CD2-CG 4.36Å; F357-M361 HydrophobicContact CE1-CG 3.82Å; F357-M361 HydrophobicContact CE2-CG 3.92Å; F357-M361 HydrophobicContact CE2-SD 4.02Å; F357-M361 HydrophobicContact CZ-CG 3.62Å; F357-M361 HydrophobicContact CZ-SD 3.89Å; F357-M361 WeakPolarHBondContact O-CG 3.43Å; F357-M361 PolarHBondContact O-N 3.37Å
358L98Very high95.5Very high4 Ų427.3 Ų27.32%0.02117%0.171CC..Hα-helixtrans-56.5-46.6178.7-62.4-168.6000112.3F235 V300 I316 V353 D354 F355 R360 M361 A362 L423F235-L358 HydrophobicContact CD1-CD1 4.16Å; F235-L358 HydrophobicContact CD1-CD2 4.12Å; F235-L358 HydrophobicContact CE1-CD1 4.33Å; F235-L358 HydrophobicContact CE1-CD2 4.12Å; F235-L358 HydrophobicContact CG-CD1 4.41Å; V300-L358 WeakPolarHBondContact CG1-O 3.41Å; V300-L358 HydrophobicContact CG2-CB 4.25Å; V300-L358 HydrophobicContact CG2-CD1 4.43Å; V300-L358 HydrophobicContact CG2-CD2 3.94Å; V300-L358 HydrophobicContact CG2-CG 4.43Å; I316-L358 HydrophobicContact CD1-CD1 4.39Å; I316-L358 HydrophobicContact CG2-CD1 4.18Å; V353-L358 HydrophobicContact CG1-CD1 3.43Å; V353-L358 VanDerWaalsContact CG1-CD1 3.43Å; V353-L358 HydrophobicContact CG1-CG 4.02Å; D354-L358 PolarHBondContact O-N 2.97Å; D354-L358 VanDerWaalsContact O-N 3.1Å; F355-L358 HydrophobicContact CD1-CD1 4.38Å; L358-R360 VanDerWaalsContact C-N 3.26Å; L358-R360 PolarHBondContact O-N 3.12Å; L358-M361 WeakPolarHBondContact O-CA 3.16Å; L358-M361 WeakPolarHBondContact O-CB 3.17Å; L358-M361 PolarHBondContact O-N 2.86Å; L358-A362 PolarHBondContact O-N 3.39Å; L358-L423 HydrophobicContact CB-CD2 4.02Å
359R96.7Very high95.8Very high88 Ų8830 Ų3033%0.33219%0.185SC..Hα-helixtrans-59.4-35.1178.1174.4166.245179.7-3.6113.1D322 F355 F357 C368 G370D322-R359 IonicContact OD1-CZ 3.82Å; D322-R359 IonicContact OD1-NH2 2.73Å; D322-R359 PolarHBondContact OD1-NH2 3.29Å; D322-R359 IonicContact OD2-CZ 2.81Å; D322-R359 IonicContact OD2-NH2 3.83Å; D322-R359 PolarHBondContact OD2-NH2 2.95Å; F355-R359 VanDerWaalsContact O-CB 3.31Å; F355-R359 WeakPolarHBondContact O-CB 3.25Å; F355-R359 PolarHBondContact O-N 2.8Å; F357-R359 VanDerWaalsContact C-N 3.35Å; F357-R359 PolarHBondContact O-N 2.94Å; R359-C368 HydrophobicContact CG-CB 3.81Å; R359-G370 PolarHBondContact NH1-O 3.01Å; R359-G370 VanDerWaalsContact NH1-O 3.1Å
360R95.5Very high95.8Very high111 Ų11131.1 Ų31.142%0.41920%0.197SC..Hα-helixtrans-72.6-35.8174.7-74.3178.1-67.3165.60.5112.2S356 F357 L358 A362 G363S356-R360 WeakPolarHBondContact O-CG 3.36Å; S356-R360 PolarHBondContact O-N 2.81Å; S356-R360 PolarHBondContact O-NE 3.1Å; F357-R360 PolarHBondContact O-N 3.36Å; F357-R360 VanDerWaalsContact O-N 3.08Å; L358-R360 VanDerWaalsContact C-N 3.26Å; L358-R360 PolarHBondContact O-N 3.12Å; R360-A362 VanDerWaalsContact C-N 3.29Å; R360-A362 PolarHBondContact O-N 2.88Å; R360-G363 PolarHBondContact O-N 3.24Å
361M97.2Very high95.9Very high52 Ų5232.3 Ų32.326%0.25621%0.205SC..Hα-helixtrans-66.6-30.1175.4-64.4-67.578.400113V300 Q301 F357 L358 G363V300-M361 HydrophobicContact CB-CB 4.38Å; V300-M361 HydrophobicContact CG1-CB 4.3Å; Q301-M361 HydrophobicContact CG-CB 4.4Å; Q301-M361 WeakPolarHBondContact CG-O 2.8Å; F357-M361 HydrophobicContact CD1-CG 4.28Å; F357-M361 HydrophobicContact CD2-CG 4.36Å; F357-M361 HydrophobicContact CE1-CG 3.82Å; F357-M361 HydrophobicContact CE2-CG 3.92Å; F357-M361 HydrophobicContact CE2-SD 4.02Å; F357-M361 HydrophobicContact CZ-CG 3.62Å; F357-M361 HydrophobicContact CZ-SD 3.89Å; F357-M361 WeakPolarHBondContact O-CG 3.43Å; F357-M361 PolarHBondContact O-N 3.37Å; L358-M361 WeakPolarHBondContact O-CA 3.16Å; L358-M361 WeakPolarHBondContact O-CB 3.17Å; L358-M361 PolarHBondContact O-N 2.86Å; M361-G363 PolarHBondContact O-N 2.81Å
362A96.7Very high96Very high7 Ų735 Ų356%0.05822%0.221CC..Hα-helixtrans-62.8-27.417300000113.2V300 A304 L358 R360 V366 C368 L425V300-A362 HydrophobicContact CG1-CB 3.69Å; A304-A362 HydrophobicContact CB-CB 4.4Å; A304-A362 WeakPolarHBondContact CB-O 3.42Å; L358-A362 PolarHBondContact O-N 3.39Å; R360-A362 VanDerWaalsContact C-N 3.29Å; R360-A362 PolarHBondContact O-N 2.88Å; A362-V366 HydrophobicContact CB-CG2 4.01Å; A362-C368 WeakPolarHBondContact CB-SG 3.31Å; A362-L425 HydrophobicContact CB-CD1 4.47Å; A362-L425 HydrophobicContact CB-CD2 3.82Å
363G92.3Very high96Very high42 Ų4234.7 Ų34.743%0.43322%0.221SC..G310 helixtrans66.2-166.5179.500000113.9R360 M361R360-G363 PolarHBondContact O-N 3.24Å; M361-G363 PolarHBondContact O-N 2.81Å
364G91.6Very high96Very high83 Ų8334.2 Ų34.286%0.85622%0.218SC*.G310 helixtrans-87.7-2.4-176.300000115.6V366G364-V366 VanDerWaalsContact C-N 3.28Å; G364-V366 PolarHBondContact O-N 2.89Å
365G91.3Very high95.9Very high19 Ų1937.5 Ų37.520%0.19623%0.229CC..G310 helixtrans-75.5-15.6-177.500000114.2P428G365-P428 WeakPolarHBondContact O-CD 3.38Å; G365-P428 VanDerWaalsContact O-CG 3.26Å; G365-P428 WeakPolarHBondContact O-CG 3.44Å
366V96Very high95.9Very high10 Ų1040.3 Ų40.36%0.06125%0.246CC..SBendtrans-135.1156.1178.9-65.40000110.6A304 I307 Q308 A362 G364 L425 L426A304-V366 HydrophobicContact CB-CG1 4.09Å; A304-V366 HydrophobicContact CB-CG2 3.66Å; A304-V366 VanDerWaalsContact O-CG1 3.27Å; A304-V366 WeakPolarHBondContact O-CG1 3.47Å; I307-V366 HydrophobicContact CB-CG1 3.99Å; I307-V366 HydrophobicContact CG2-CG1 3.84Å; Q308-V366 HydrophobicContact CB-CG1 4.47Å; A362-V366 HydrophobicContact CB-CG2 4.01Å; G364-V366 VanDerWaalsContact C-N 3.28Å; G364-V366 PolarHBondContact O-N 2.89Å; V366-L425 HydrophobicContact CG2-CB 4.42Å; V366-L425 HydrophobicContact CG2-CD2 4.48Å; V366-L426 WeakPolarHBondContact CB-O 3.29Å
367A95.3Very high96Very high15 Ų1540.4 Ų40.412%0.12424%0.244CC..EExtended strand (participates in β ladder)trans-82.8127.7169.900000110.3L425 L426 L431A367-L425 CarbonylContact O-C 3.6Å; A367-L425 WeakPolarHBondContact O-CA 3.38Å; A367-L426 HydrophobicContact CB-CB 4.37Å; A367-L426 PolarHBondContact N-O 2.86Å; A367-L426 PolarHBondContact O-N 3.32Å; A367-L431 HydrophobicContact CB-CD1 3.38Å; A367-L431 HydrophobicContact CB-CG 3.9Å
368C95.9Very high95.9Very high33 Ų3339.4 Ų39.422%0.22324%0.24CC..EExtended strand (participates in β ladder)trans-102.4121.7173.2-62.50000110.1R359 A362 L423 C424 L425R359-C368 HydrophobicContact CG-CB 3.81Å; A362-C368 WeakPolarHBondContact CB-SG 3.31Å; C368-L423 HydrophobicContact CB-CD1 4.48Å; C368-C424 CarbonylContact C-O 3.56Å; C368-C424 WeakPolarHBondContact CA-O 3.33Å; C368-L425 HydrophobicContact CB-CD2 4.31Å; C368-L425 WeakPolarHBondContact SG-CD2 3.44Å
369L94.9Very high95.8Very high75 Ų7542.7 Ų42.739%0.39325%0.253SS..EExtended strand (participates in β ladder)trans-114.5133.5175.7-60.3-176.5000110.8C424 L426 L431L369-C424 HydrophobicContact CB-CB 4.45Å; L369-C424 PolarHBondContact N-O 2.92Å; L369-C424 PolarHBondContact O-N 3.15Å; L369-L426 HydrophobicContact CD1-CD1 3.59Å; L369-L426 HydrophobicContact CG-CD1 4.26Å; L369-L431 HydrophobicContact CD1-CD2 4.25Å; L369-L431 HydrophobicContact CD2-CD1 4.43Å; L369-L431 HydrophobicContact CD2-CD2 4.48Å
370G94.1Very high95.7Very high27 Ų2742.7 Ų42.728%0.27826%0.26SS..EExtended strand (participates in β ladder)trans100.6-160.7-176.200000112.9R359R359-G370 PolarHBondContact NH1-O 3.01Å; R359-G370 VanDerWaalsContact NH1-O 3.1Å
371P97.3Very high95.6Very high27 Ų2738 Ų3818%0.17524%0.243CC..EExtended strand (participates in β ladder)cis-67.8152.92.627.5-33.9000113.3D322 F355 L421 F422D322-P371 HydrophobicContact CB-CG 3.92Å; F355-P371 HydrophobicContact CB-CB 4.16Å; F355-P371 HydrophobicContact CB-CG 3.87Å; F355-P371 HydrophobicContact CD1-CB 4.36Å; F355-P371 HydrophobicContact CG-CB 4.15Å; F355-P371 HydrophobicContact CG-CG 4.37Å; P371-L421 HydrophobicContact CB-CB 3.97Å; P371-L421 HydrophobicContact CB-CD1 4.22Å; P371-L421 HydrophobicContact CG-CD1 4.38Å; P371-F422 CarbonylContact C-O 3.58Å; P371-F422 VanDerWaalsContact CA-O 3.26Å; P371-F422 WeakPolarHBondContact CA-O 3.48Å
372V97.8Very high95.5Very high59 Ų5935.8 Ų35.836%0.35823%0.234SC..EExtended strand (participates in β ladder)trans-124.2155.3165.6-61.80000109.5V376 F377 L421 F422V372-V376 HydrophobicContact CB-CG1 4.37Å; V372-F377 HydrophobicContact CG2-CB 4.14Å; V372-L421 CarbonylContact O-C 3.59Å; V372-L421 WeakPolarHBondContact O-CA 3.45Å; V372-F422 HydrophobicContact CG2-CB 4.12Å; V372-F422 PolarHBondContact N-O 2.6Å; V372-F422 PolarHBondContact O-N 2.94Å
373S98.2Very high95.3Very high11 Ų1135.5 Ų35.58%0.07723%0.231CC..EExtended strand (participates in β ladder)trans-69.3152.517872.10000112.6R375 V376 F377 G417 E418 F420S373-R375 VanDerWaalsContact C-N 3.26Å; S373-R375 PolarHBondContact O-N 3.16Å; S373-V376 PolarHBondContact O-N 3.37Å; S373-V376 WeakPolarHBondContact OG-CG2 3.33Å; S373-F377 PolarHBondContact O-N 3.4Å; S373-G417 WeakPolarHBondContact CB-O 3.39Å; S373-E418 WeakPolarHBondContact CB-OE2 3.37Å; S373-E418 PolarHBondContact OG-OE2 2.94Å; S373-F420 CarbonylContact C-O 3.58Å; S373-F420 WeakPolarHBondContact CA-O 3.4Å
374Q97.7Very high95.3Very high0 Ų036.5 Ų36.50%023%0.227CC..Hα-helixtrans-53.5-44.7177.4176.3165.6-71.700111.8V376 F377 L378 L410 G417 F420 F422Q374-V376 VanDerWaalsContact C-N 3.32Å; Q374-V376 PolarHBondContact O-N 3.49Å; Q374-F377 PolarHBondContact O-N 3.41Å; Q374-L378 HydrophobicContact CG-CD1 3.6Å; Q374-L378 HydrophobicContact CG-CG 4.05Å; Q374-L378 WeakPolarHBondContact O-CB 3.39Å; Q374-L378 VanDerWaalsContact O-CG 3.27Å; Q374-L378 WeakPolarHBondContact O-CG 3.3Å; Q374-L378 PolarHBondContact O-N 2.97Å; Q374-L410 PolarHBondContact NE2-O 3.25Å; Q374-G417 PolarHBondContact N-O 3.1Å; Q374-F420 HydrophobicContact CB-CB 3.59Å; Q374-F420 HydrophobicContact CG-CB 4.35Å; Q374-F420 PolarHBondContact N-O 3.39Å; Q374-F422 HydrophobicContact CB-CD2 4.09Å; Q374-F422 HydrophobicContact CB-CE2 3.63Å; Q374-F422 HydrophobicContact CG-CE2 3.73Å; Q374-F422 HydrophobicContact CG-CZ 4.31Å
375R96.9Very high95.4Very high83 Ų8334.5 Ų34.531%0.31320%0.203SC..Hα-helixtrans-54.4-49.5176175.5-171.4177.8106-10.3111.2S373 K379 T411 G417 E418S373-R375 VanDerWaalsContact C-N 3.26Å; S373-R375 PolarHBondContact O-N 3.16Å; R375-K379 HydrophobicContact CG-CD 4.1Å; R375-K379 WeakPolarHBondContact O-CB 3.28Å; R375-K379 WeakPolarHBondContact O-CG 3.5Å; R375-K379 PolarHBondContact O-N 3.32Å; R375-T411 WeakPolarHBondContact CB-O 3.29Å; R375-T411 WeakPolarHBondContact CD-O 3.47Å; R375-T411 WeakPolarHBondContact CG-O 3.36Å; R375-T411 PolarHBondContact NH1-O 3.41Å; R375-G417 WeakPolarHBondContact CB-O 3.41Å; R375-G417 PolarHBondContact N-O 3.03Å; R375-E418 WeakPolarHBondContact CD-OE1 3.31Å
376V97.5Very high95.5Very high59 Ų5933.8 Ų33.836%0.35819%0.194SC..Hα-helixtrans-64.2-45.6-179170.70000110.4V372 S373 Q374 N380V372-V376 HydrophobicContact CB-CG1 4.37Å; S373-V376 PolarHBondContact O-N 3.37Å; S373-V376 WeakPolarHBondContact OG-CG2 3.33Å; Q374-V376 VanDerWaalsContact C-N 3.32Å; Q374-V376 PolarHBondContact O-N 3.49Å; V376-N380 WeakPolarHBondContact CG1-ND2 3.09Å; V376-N380 VanDerWaalsContact O-CB 3.29Å; V376-N380 WeakPolarHBondContact O-CB 2.92Å; V376-N380 PolarHBondContact O-N 2.72Å; V376-N380 PolarHBondContact O-ND2 3.3Å
377F97.6Very high95.4Very high22 Ų2234 Ų3410%0.09619%0.194CC..Hα-helixtrans-59-54.2177.9-177-93000111.9L115 W118 L315 V372 S373 Q374 K379 N380 M381 F422L115-F377 HydrophobicContact CD1-CE1 3.99Å; W118-F377 HydrophobicContact CB-CZ 4.33Å; W118-F377 AromaticContact CD1-CZ 3.87Å; W118-F377 HydrophobicContact CG-CZ 4.01Å; L315-F377 HydrophobicContact CD1-CE2 4.09Å; L315-F377 HydrophobicContact CD1-CZ 4.32Å; L315-F377 HydrophobicContact CD2-CE1 4.26Å; L315-F377 HydrophobicContact CD2-CE2 4.31Å; L315-F377 HydrophobicContact CD2-CZ 3.71Å; V372-F377 HydrophobicContact CG2-CB 4.14Å; S373-F377 PolarHBondContact O-N 3.4Å; Q374-F377 PolarHBondContact O-N 3.41Å; F377-K379 PolarHBondContact O-N 2.93Å; F377-N380 PolarHBondContact O-N 3.24Å; F377-M381 HydrophobicContact CD1-CG 4.18Å; F377-M381 HydrophobicContact CE1-CG 3.78Å; F377-M381 HydrophobicContact CE2-CG 4.37Å; F377-M381 HydrophobicContact CZ-CG 3.88Å; F377-M381 HydrophobicContact CZ-SD 4.47Å; F377-M381 WeakPolarHBondContact O-CG 3.15Å; F377-M381 PolarHBondContact O-N 3.49Å; F377-F422 HydrophobicContact CB-CB 4.34Å; F377-F422 HydrophobicContact CB-CD1 4.2Å; F377-F422 HydrophobicContact CB-CD2 4.37Å; F377-F422 HydrophobicContact CB-CG 4.04Å; F377-F422 AromaticContact CD1-CD1 3.57Å; F377-F422 HydrophobicContact CD1-CD1 3.57Å; F377-F422 AromaticContact CD1-CE1 3.54Å; F377-F422 HydrophobicContact CD1-CE1 3.54Å; F377-F422 HydrophobicContact CD1-CG 4.26Å; F377-F422 HydrophobicContact CD1-CZ 4.22Å; F377-F422 HydrophobicContact CD2-CB 4.21Å; F377-F422 AromaticContact CD2-CD1 3.87Å; F377-F422 HydrophobicContact CD2-CD1 3.87Å; F377-F422 HydrophobicContact CD2-CG 4.24Å; F377-F422 AromaticContact CE1-CD1 3.83Å; F377-F422 HydrophobicContact CE1-CD1 3.83Å; F377-F422 AromaticContact CE1-CE1 3.71Å; F377-F422 HydrophobicContact CE1-CE1 3.71Å; F377-F422 HydrophobicContact CE2-CD1 4.11Å; F377-F422 HydrophobicContact CG-CB 4.3Å; F377-F422 AromaticContact CG-CD1 3.59Å; F377-F422 HydrophobicContact CG-CD1 3.59Å; F377-F422 HydrophobicContact CG-CE1 4.05Å; F377-F422 AromaticContact CG-CG 3.92Å; F377-F422 HydrophobicContact CG-CG 3.92Å; F377-F422 HydrophobicContact CZ-CD1 4.09Å; F377-F422 HydrophobicContact CZ-CE1 4.34Å
378L96.5Very high95.3Very high1 Ų139.8 Ų39.81%0.00522%0.219CC..Hα-helixtrans-63.4-40.2-176.9-63.9176.9000112.2F111 L114 Q374 M381 G382 G383 L410 T411F111-L378 HydrophobicContact CD2-CD1 4.21Å; F111-L378 HydrophobicContact CD2-CD2 3.92Å; F111-L378 HydrophobicContact CE2-CD2 4.29Å; L114-L378 HydrophobicContact CB-CD2 4.43Å; L114-L378 HydrophobicContact CD1-CB 4.16Å; L114-L378 HydrophobicContact CD1-CD2 3.77Å; Q374-L378 HydrophobicContact CG-CD1 3.6Å; Q374-L378 HydrophobicContact CG-CG 4.05Å; Q374-L378 WeakPolarHBondContact O-CB 3.39Å; Q374-L378 VanDerWaalsContact O-CG 3.27Å; Q374-L378 WeakPolarHBondContact O-CG 3.3Å; Q374-L378 PolarHBondContact O-N 2.97Å; L378-M381 PolarHBondContact O-N 2.78Å; L378-G382 PolarHBondContact O-N 2.9Å; L378-G383 PolarHBondContact O-N 3Å; L378-L410 HydrophobicContact CD1-CB 4.06Å; L378-T411 HydrophobicContact CB-CG2 4.46Å; L378-T411 HydrophobicContact CD1-CG2 4.12Å
379K94.6Very high95.2Very high72 Ų7240.5 Ų40.531%0.31322%0.222SC..Hα-helixtrans-63.3-45.3174.7-79.6179.4169.3-73.60111.8R375 F377 M381 G382 D384R375-K379 HydrophobicContact CG-CD 4.1Å; R375-K379 WeakPolarHBondContact O-CB 3.28Å; R375-K379 WeakPolarHBondContact O-CG 3.5Å; R375-K379 PolarHBondContact O-N 3.32Å; F377-K379 PolarHBondContact O-N 2.93Å; K379-M381 VanDerWaalsContact C-N 3.28Å; K379-M381 PolarHBondContact O-N 2.85Å; K379-G382 PolarHBondContact O-N 3.48Å; K379-D384 IonicContact NZ-OD1 3.78Å; K379-D384 PolarHBondContact NZ-OD1 2.78Å; K379-D384 IonicContact NZ-OD2 2.75Å; K379-D384 PolarHBondContact NZ-OD2 3.16Å
380N94.8Very high95Very high88 Ų8837.4 Ų37.447%0.47121%0.206SC..Hα-helixtrans-65.9-31.5178.7-73.7-17.4000112.7V376 F377 G382V376-N380 WeakPolarHBondContact CG1-ND2 3.09Å; V376-N380 VanDerWaalsContact O-CB 3.29Å; V376-N380 WeakPolarHBondContact O-CB 2.92Å; V376-N380 PolarHBondContact O-N 2.72Å; V376-N380 PolarHBondContact O-ND2 3.3Å; F377-N380 PolarHBondContact O-N 3.24Å; N380-G382 PolarHBondContact O-N 3.45Å
381M94.2Very high95Very high12 Ų1237.5 Ų37.56%0.05920%0.2CC..THydrogen-bonded Turntrans-73.2-8.3172.6-72.9-54.3-54.900113.5C6 L10 L114 V117 W118 F377 L378 K379C6-M381 HydrophobicContact CB-CE 4.09Å; L10-M381 WeakPolarHBondContact CD1-O 3.43Å; L114-M381 HydrophobicContact CB-CB 4.21Å; L114-M381 HydrophobicContact CD2-CB 3.95Å; L114-M381 WeakPolarHBondContact CD2-O 3.47Å; V117-M381 HydrophobicContact CB-CE 4.26Å; V117-M381 HydrophobicContact CG1-CE 3.88Å; W118-M381 HydrophobicContact CB-CE 3.65Å; W118-M381 HydrophobicContact CB-SD 4.12Å; F377-M381 HydrophobicContact CD1-CG 4.18Å; F377-M381 HydrophobicContact CE1-CG 3.78Å; F377-M381 HydrophobicContact CE2-CG 4.37Å; F377-M381 HydrophobicContact CZ-CG 3.88Å; F377-M381 HydrophobicContact CZ-SD 4.47Å; F377-M381 WeakPolarHBondContact O-CG 3.15Å; F377-M381 PolarHBondContact O-N 3.49Å; L378-M381 PolarHBondContact O-N 2.78Å; K379-M381 VanDerWaalsContact C-N 3.28Å; K379-M381 PolarHBondContact O-N 2.85Å
382G94.1Very high94.8Very high7 Ų746.8 Ų46.87%0.07223%0.231CC..THydrogen-bonded Turntrans94.125.7176.300000114.5L378 K379 N380 D384 A385 R386L378-G382 PolarHBondContact O-N 2.9Å; K379-G382 PolarHBondContact O-N 3.48Å; N380-G382 PolarHBondContact O-N 3.45Å; G382-D384 VanDerWaalsContact C-N 3.25Å; G382-D384 PolarHBondContact O-N 3.41Å; G382-A385 WeakPolarHBondContact O-CB 3.46Å; G382-A385 PolarHBondContact O-N 3.44Å; G382-R386 PolarHBondContact O-N 2.8Å; G382-R386 VanDerWaalsContact O-N 3.07Å
383G92.5Very high94.5Very high0 Ų048.7 Ų48.70%024%0.239CC..Hα-helixtrans-54.1-39.1178.300000113.9L378 A385 R386 M387 Y407L378-G383 PolarHBondContact O-N 3Å; G383-A385 VanDerWaalsContact C-N 3.32Å; G383-A385 PolarHBondContact O-N 3.37Å; G383-R386 PolarHBondContact O-N 2.8Å; G383-M387 WeakPolarHBondContact O-CB 3.46Å; G383-M387 PolarHBondContact O-N 3.3Å; G383-Y407 WeakPolarHBondContact CA-OH 3.5Å
384D93.4Very high94.2Very high63 Ų6349 Ų4934%0.33724%0.241SC..Hα-helixtrans-62.8-39.7178.5-64.8-13.1000111.3K379 G382 M387 Q388 Y407K379-D384 IonicContact NZ-OD1 3.78Å; K379-D384 PolarHBondContact NZ-OD1 2.78Å; K379-D384 IonicContact NZ-OD2 2.75Å; K379-D384 PolarHBondContact NZ-OD2 3.16Å; G382-D384 VanDerWaalsContact C-N 3.25Å; G382-D384 PolarHBondContact O-N 3.41Å; D384-M387 PolarHBondContact O-N 3.42Å; D384-Q388 WeakPolarHBondContact O-CG 3.41Å; D384-Q388 PolarHBondContact O-N 3.49Å; D384-Y407 PolarHBondContact N-OH 3.03Å; D384-Y407 VanDerWaalsContact N-OH 3.12Å; D384-Y407 WeakPolarHBondContact OD1-CE1 3.31Å; D384-Y407 PolarHBondContact OD1-OH 3.28Å
385A92.3Very high93.8Very high42 Ų4254.7 Ų54.735%0.34728%0.282SS..Hα-helixtrans-68.7-40.817700000111.4G382 G383 M387 Q388 V389G382-A385 WeakPolarHBondContact O-CB 3.46Å; G382-A385 PolarHBondContact O-N 3.44Å; G383-A385 VanDerWaalsContact C-N 3.32Å; G383-A385 PolarHBondContact O-N 3.37Å; A385-M387 VanDerWaalsContact C-N 3.31Å; A385-M387 PolarHBondContact O-N 3.27Å; A385-Q388 PolarHBondContact O-N 3.45Å; A385-V389 PolarHBondContact O-N 3.26Å
386R93.4Very high93.7Very high4 Ų454.2 Ų54.22%0.01529%0.285CS..Hα-helixtrans-62.2-42.5174.7178.651.2177.3154.9-2.3111.4F14 V110 E113 G382 G383 Q388 V389 L390F14-R386 VanDerWaalsContact CE1-CZ 3.48Å; F14-R386 HydrophobicContact CE2-CG 4.38Å; V110-R386 HydrophobicContact CG1-CG 4.34Å; V110-R386 HydrophobicContact CG2-CG 4.32Å; E113-R386 IonicContact OE1-CZ 3.64Å; E113-R386 IonicContact OE1-NE 2.67Å; E113-R386 IonicContact OE1-NH2 3.23Å; E113-R386 PolarHBondContact OE1-NH2 2.97Å; E113-R386 IonicContact OE2-CZ 3.92Å; E113-R386 IonicContact OE2-NE 2.83Å; E113-R386 PolarHBondContact OE2-NE 3.41Å; E113-R386 IonicContact OE2-NH2 2.68Å; E113-R386 PolarHBondContact OE2-NH2 3.23Å; G382-R386 PolarHBondContact O-N 2.8Å; G382-R386 VanDerWaalsContact O-N 3.07Å; G383-R386 PolarHBondContact O-N 2.8Å; R386-Q388 VanDerWaalsContact C-N 3.32Å; R386-Q388 PolarHBondContact O-N 2.89Å; R386-V389 WeakPolarHBondContact O-CB 3.46Å; R386-V389 PolarHBondContact O-N 2.54Å; R386-V389 VanDerWaalsContact O-N 3.15Å; R386-L390 HydrophobicContact CG-CD1 4.36Å; R386-L390 PolarHBondContact O-N 2.7Å
387M94.2Very high93.5Very high13 Ų1355.7 Ų55.76%0.06430%0.296CS..Hα-helixtrans-61.6-40.5178.3-168.958.8-158.100111.9G383 D384 A385 V389 L390 L391 L403 I404 Y407G383-M387 WeakPolarHBondContact O-CB 3.46Å; G383-M387 PolarHBondContact O-N 3.3Å; D384-M387 PolarHBondContact O-N 3.42Å; A385-M387 VanDerWaalsContact C-N 3.31Å; A385-M387 PolarHBondContact O-N 3.27Å; M387-V389 VanDerWaalsContact C-N 3.33Å; M387-V389 PolarHBondContact O-N 2.8Å; M387-L390 PolarHBondContact O-N 3.3Å; M387-L391 HydrophobicContact CE-CD1 3.75Å; M387-L391 HydrophobicContact CE-CD2 3.45Å; M387-L391 VanDerWaalsContact CE-CD2 3.45Å; M387-L391 HydrophobicContact CE-CG 3.41Å; M387-L391 VanDerWaalsContact CE-CG 3.41Å; M387-L391 HydrophobicContact CG-CD1 4.15Å; M387-L391 HydrophobicContact CG-CG 4.39Å; M387-L391 WeakPolarHBondContact O-CB 3.31Å; M387-L391 VanDerWaalsContact O-CG 3.28Å; M387-L391 WeakPolarHBondContact O-CG 3Å; M387-L391 PolarHBondContact O-N 3.48Å; M387-L391 HydrophobicContact SD-CG 4.49Å; M387-L403 HydrophobicContact CE-CB 3.41Å; M387-L403 VanDerWaalsContact CE-CB 3.41Å; M387-L403 HydrophobicContact SD-CB 4.37Å; M387-I404 HydrophobicContact CE-CG1 4.05Å; M387-Y407 HydrophobicContact CG-CD1 4.23Å; M387-Y407 HydrophobicContact CG-CG 4.43Å; M387-Y407 HydrophobicContact SD-CG 4.42Å
388Q93.3Very high93.3Very high138 Ų13858.5 Ų58.565%0.64532%0.318SS*.Hα-helixtrans-59.2-42.3173.7-72.4172.54.200112.4D384 A385 R386 R392D384-Q388 WeakPolarHBondContact O-CG 3.41Å; D384-Q388 PolarHBondContact O-N 3.49Å; A385-Q388 PolarHBondContact O-N 3.45Å; R386-Q388 VanDerWaalsContact C-N 3.32Å; R386-Q388 PolarHBondContact O-N 2.89Å; Q388-R392 WeakPolarHBondContact O-CB 3.39Å; Q388-R392 PolarHBondContact O-N 3.45Å
389V93.3Very high93.1Very high48 Ų4859.4 Ų59.429%0.29133%0.325SS..Hα-helixtrans-63.8-46.2177.1175.10000111.1F14 A385 R386 M387 R392 N393F14-V389 HydrophobicContact CB-CG1 4.43Å; A385-V389 PolarHBondContact O-N 3.26Å; R386-V389 WeakPolarHBondContact O-CB 3.46Å; R386-V389 PolarHBondContact O-N 2.54Å; R386-V389 VanDerWaalsContact O-N 3.15Å; M387-V389 VanDerWaalsContact C-N 3.33Å; M387-V389 PolarHBondContact O-N 2.8Å; V389-R392 PolarHBondContact O-N 2.83Å; V389-N393 PolarHBondContact O-N 2.62Å; V389-N393 PolarHBondContact O-ND2 2.71Å; V389-N393 VanDerWaalsContact O-ND2 3.16Å
390L92.4Very high93.1Very high9 Ų960.7 Ų60.75%0.04733%0.328CS..Hα-helixtrans-61.5-46.9178.1-72.7175.5000111.7V110 R386 M387 R392 N393 C394 L403V110-L390 HydrophobicContact CG2-CD1 3.47Å; V110-L390 VanDerWaalsContact CG2-CD1 3.47Å; R386-L390 HydrophobicContact CG-CD1 4.36Å; R386-L390 PolarHBondContact O-N 2.7Å; M387-L390 PolarHBondContact O-N 3.3Å; L390-R392 VanDerWaalsContact C-N 3.33Å; L390-R392 PolarHBondContact O-N 3.49Å; L390-N393 PolarHBondContact O-N 2.97Å; L390-C394 VanDerWaalsContact O-CB 3.24Å; L390-C394 WeakPolarHBondContact O-CB 3.26Å; L390-C394 PolarHBondContact O-N 2.74Å; L390-L403 HydrophobicContact CB-CD1 4.27Å; L390-L403 HydrophobicContact CD1-CD2 4.4Å
391L93Very high93.1Very high29 Ų2964 Ų6415%0.15234%0.338CS..Hα-helixtrans-63.2-38.1177.4-71.7176.9000112.2M387 N393 C394 R400 I404M387-L391 HydrophobicContact CE-CD1 3.75Å; M387-L391 HydrophobicContact CE-CD2 3.45Å; M387-L391 VanDerWaalsContact CE-CD2 3.45Å; M387-L391 HydrophobicContact CE-CG 3.41Å; M387-L391 VanDerWaalsContact CE-CG 3.41Å; M387-L391 HydrophobicContact CG-CD1 4.15Å; M387-L391 HydrophobicContact CG-CG 4.39Å; M387-L391 WeakPolarHBondContact O-CB 3.31Å; M387-L391 VanDerWaalsContact O-CG 3.28Å; M387-L391 WeakPolarHBondContact O-CG 3Å; M387-L391 PolarHBondContact O-N 3.48Å; M387-L391 HydrophobicContact SD-CG 4.49Å; L391-N393 VanDerWaalsContact C-N 3.25Å; L391-N393 PolarHBondContact O-N 2.83Å; L391-C394 PolarHBondContact O-N 3.48Å; L391-R400 HydrophobicContact CD2-CG 3.5Å; L391-R400 PolarHBondContact O-NH1 2.91Å; L391-I404 HydrophobicContact CD1-CG1 4.43Å; L391-I404 HydrophobicContact CD2-CD1 4.22Å; L391-I404 HydrophobicContact CD2-CG1 3.95Å
392R93.4Very high93Very high222 Ų22267.9 Ų67.984%0.83836%0.356SS*.Hα-helixtrans-64.5-33.3178-175.9176.8177.8179.90.2112.3Q388 V389 L390Q388-R392 WeakPolarHBondContact O-CB 3.39Å; Q388-R392 PolarHBondContact O-N 3.45Å; V389-R392 PolarHBondContact O-N 2.83Å; L390-R392 VanDerWaalsContact C-N 3.33Å; L390-R392 PolarHBondContact O-N 3.49Å
393N91.5Very high93Very high99 Ų9968 Ų6853%0.52936%0.355SS..Hα-helixtrans-95.5-5.3-176.5-64.2-33.8000113.6V389 L390 L391V389-N393 PolarHBondContact O-N 2.62Å; V389-N393 PolarHBondContact O-ND2 2.71Å; V389-N393 VanDerWaalsContact O-ND2 3.16Å; L390-N393 PolarHBondContact O-N 2.97Å; L391-N393 VanDerWaalsContact C-N 3.25Å; L391-N393 PolarHBondContact O-N 2.83Å
394C91.2Very high93.1Very high17 Ų1772.2 Ų72.212%0.11538%0.376CS..  trans-94.6107.5178.7-175.50000110.4L390 L391 S399 L403L390-C394 VanDerWaalsContact O-CB 3.24Å; L390-C394 WeakPolarHBondContact O-CB 3.26Å; L390-C394 PolarHBondContact O-N 2.74Å; L391-C394 PolarHBondContact O-N 3.48Å; C394-S399 WeakPolarHBondContact SG-CB 2.93Å; C394-L403 HydrophobicContact CB-CD1 4.22Å
395S90.4Very high93.2Very high121 Ų12177.9 Ų77.985%0.84639%0.393SS*.  trans-83.5-29.6177.250.20000113.4P397S395-P397 WeakPolarHBondContact O-CD 3.33Å
396D94.6Very high93.3Very high73 Ų7376.6 Ų76.639%0.3938%0.381SS..  trans-75.1121.1-178.4173.451.9000112.2S398 S399 R400D396-S398 VanDerWaalsContact C-N 3.32Å; D396-S398 PolarHBondContact O-N 2.93Å; D396-S398 WeakPolarHBondContact OD2-CB 3.25Å; D396-S398 PolarHBondContact OD2-N 3.01Å; D396-S399 WeakPolarHBondContact OD2-CB 3.49Å; D396-S399 PolarHBondContact OD2-N 3.05Å; D396-S399 PolarHBondContact OD2-OG 3.35Å; D396-R400 WeakPolarHBondContact O-CB 3.33Å; D396-R400 PolarHBondContact O-N 2.85Å
397P92.9Very high93.4Very high90 Ų9077.3 Ų77.358%0.58438%0.384SS*.Hα-helixtrans-62.8-32.4-178.6-24.835.1000114.6S395 K401S395-P397 WeakPolarHBondContact O-CD 3.33Å; P397-K401 WeakPolarHBondContact O-CG 2.95Å; P397-K401 PolarHBondContact O-N 2.8Å; P397-K401 VanDerWaalsContact O-N 3.1Å
398S94Very high93.5Very high80 Ų8080.3 Ų80.356%0.55940%0.4SS*.Hα-helixtrans-68.8-52.8-179.7-173.30000110.6D396 R400 K401 Q402D396-S398 VanDerWaalsContact C-N 3.32Å; D396-S398 PolarHBondContact O-N 2.93Å; D396-S398 WeakPolarHBondContact OD2-CB 3.25Å; D396-S398 PolarHBondContact OD2-N 3.01Å; S398-R400 VanDerWaalsContact C-N 3.25Å; S398-R400 PolarHBondContact O-N 2.92Å; S398-K401 WeakPolarHBondContact O-CB 3.35Å; S398-K401 PolarHBondContact O-N 3.12Å; S398-K401 VanDerWaalsContact O-N 3.09Å; S398-Q402 PolarHBondContact O-N 3.16Å
399S91.1Very high93.6Very high20 Ų2076 Ų7614%0.1438%0.382CS..Hα-helixtrans-51-45171.7-67.70000111.9F23 C394 D396 K401 Q402 L403F23-S399 VanDerWaalsContact CE2-CB 3.45Å; F23-S399 VanDerWaalsContact CE2-OG 3.24Å; F23-S399 WeakPolarHBondContact CE2-OG 3.29Å; C394-S399 WeakPolarHBondContact SG-CB 2.93Å; D396-S399 WeakPolarHBondContact OD2-CB 3.49Å; D396-S399 PolarHBondContact OD2-N 3.05Å; D396-S399 PolarHBondContact OD2-OG 3.35Å; S399-K401 PolarHBondContact O-N 3.46Å; S399-Q402 PolarHBondContact O-N 2.84Å; S399-L403 WeakPolarHBondContact O-CG 3.44Å; S399-L403 PolarHBondContact O-N 3.05Å
400R94.4Very high93.7Very high100 Ų10073.8 Ų73.838%0.37737%0.368SS..Hα-helixtrans-59.8-47.3177.5-167.4-172-176.178.83.1112.2L391 D396 S398 Q402 L403 I404L391-R400 HydrophobicContact CD2-CG 3.5Å; L391-R400 PolarHBondContact O-NH1 2.91Å; D396-R400 WeakPolarHBondContact O-CB 3.33Å; D396-R400 PolarHBondContact O-N 2.85Å; S398-R400 VanDerWaalsContact C-N 3.25Å; S398-R400 PolarHBondContact O-N 2.92Å; R400-Q402 VanDerWaalsContact C-N 3.33Å; R400-L403 PolarHBondContact O-N 2.98Å; R400-I404 HydrophobicContact CG-CD1 4.45Å; R400-I404 WeakPolarHBondContact O-CG1 3.33Å; R400-I404 PolarHBondContact O-N 3.19Å
401K94.7Very high93.8Very high157 Ų15773.8 Ų73.868%0.68337%0.368SS*.Hα-helixtrans-62.3-41.4176.8-74.6177.3-179.2178.90111.3P397 S398 S399 I404 R405P397-K401 WeakPolarHBondContact O-CG 2.95Å; P397-K401 PolarHBondContact O-N 2.8Å; P397-K401 VanDerWaalsContact O-N 3.1Å; S398-K401 WeakPolarHBondContact O-CB 3.35Å; S398-K401 PolarHBondContact O-N 3.12Å; S398-K401 VanDerWaalsContact O-N 3.09Å; S399-K401 PolarHBondContact O-N 3.46Å; K401-I404 PolarHBondContact O-N 3.12Å; K401-R405 WeakPolarHBondContact O-CB 3.49Å; K401-R405 PolarHBondContact O-N 2.94Å
402Q93.6Very high93.9Very high93 Ų9373.3 Ų73.344%0.43537%0.367SS..Hα-helixtrans-64.8-42.4178.8-175.2169.4-4.700112.1F23 S398 S399 R400 I404 R405 S406F23-Q402 HydrophobicContact CE1-CB 4.27Å; F23-Q402 HydrophobicContact CE1-CG 3.8Å; F23-Q402 VanDerWaalsContact CE1-NE2 3.3Å; F23-Q402 HydrophobicContact CZ-CB 4.07Å; F23-Q402 HydrophobicContact CZ-CG 4.09Å; S398-Q402 PolarHBondContact O-N 3.16Å; S399-Q402 PolarHBondContact O-N 2.84Å; R400-Q402 VanDerWaalsContact C-N 3.33Å; Q402-I404 VanDerWaalsContact C-N 3.34Å; Q402-I404 PolarHBondContact O-N 2.81Å; Q402-R405 PolarHBondContact O-N 3.2Å; Q402-S406 VanDerWaalsContact O-CB 3.28Å; Q402-S406 WeakPolarHBondContact O-CB 3.45Å; Q402-S406 PolarHBondContact O-N 3Å; Q402-S406 PolarHBondContact O-OG 3.5Å
403L93.7Very high93.9Very high11 Ų1166.1 Ų66.16%0.05835%0.349CS..Hα-helixtrans-58.8-46.6175-72.3169.7000111.3M387 L390 C394 S399 R400 S406 Y407M387-L403 HydrophobicContact CE-CB 3.41Å; M387-L403 VanDerWaalsContact CE-CB 3.41Å; M387-L403 HydrophobicContact SD-CB 4.37Å; L390-L403 HydrophobicContact CB-CD1 4.27Å; L390-L403 HydrophobicContact CD1-CD2 4.4Å; C394-L403 HydrophobicContact CB-CD1 4.22Å; S399-L403 WeakPolarHBondContact O-CG 3.44Å; S399-L403 PolarHBondContact O-N 3.05Å; R400-L403 PolarHBondContact O-N 2.98Å; L403-S406 PolarHBondContact O-N 3.48Å; L403-Y407 WeakPolarHBondContact O-CB 3.08Å; L403-Y407 PolarHBondContact O-N 3.29Å
404I94.9Very high93.8Very high88 Ų8864.3 Ų64.345%0.45135%0.349SS..Hα-helixtrans-61.1-49.9179.8-67167.2000110.2M387 L391 R400 K401 Q402 S406 Y407 D408M387-I404 HydrophobicContact CE-CG1 4.05Å; L391-I404 HydrophobicContact CD1-CG1 4.43Å; L391-I404 HydrophobicContact CD2-CD1 4.22Å; L391-I404 HydrophobicContact CD2-CG1 3.95Å; R400-I404 HydrophobicContact CG-CD1 4.45Å; R400-I404 WeakPolarHBondContact O-CG1 3.33Å; R400-I404 PolarHBondContact O-N 3.19Å; K401-I404 PolarHBondContact O-N 3.12Å; Q402-I404 VanDerWaalsContact C-N 3.34Å; Q402-I404 PolarHBondContact O-N 2.81Å; I404-S406 VanDerWaalsContact C-N 3.34Å; I404-S406 PolarHBondContact O-N 2.54Å; I404-Y407 PolarHBondContact O-N 3.04Å; I404-D408 WeakPolarHBondContact O-CB 3.42Å; I404-D408 PolarHBondContact O-N 3.25Å
405R95.9Very high93.8Very high182 Ų18267.2 Ų67.269%0.68736%0.36SS*.Hα-helixtrans-59.8-44.2179.3179.6177.4175.3143.3-0.3111.9K401 Q402 D408 L409K401-R405 WeakPolarHBondContact O-CB 3.49Å; K401-R405 PolarHBondContact O-N 2.94Å; Q402-R405 PolarHBondContact O-N 3.2Å; R405-D408 PolarHBondContact O-N 3.41Å; R405-L409 WeakPolarHBondContact O-CG 3.41Å; R405-L409 PolarHBondContact O-N 2.72Å
406S94.3Very high93.8Very high14 Ų1462.1 Ų62.110%0.09832%0.323CS..Hα-helixtrans-67.7-40.6-176.9-540000111.6I107 Q402 L403 I404 D408 L409 L410I107-S406 WeakPolarHBondContact CG2-O 3.37Å; I107-S406 VanDerWaalsContact O-CB 3.27Å; I107-S406 WeakPolarHBondContact O-CB 3.42Å; I107-S406 PolarHBondContact O-OG 3.42Å; Q402-S406 VanDerWaalsContact O-CB 3.28Å; Q402-S406 WeakPolarHBondContact O-CB 3.45Å; Q402-S406 PolarHBondContact O-N 3Å; Q402-S406 PolarHBondContact O-OG 3.5Å; L403-S406 PolarHBondContact O-N 3.48Å; I404-S406 VanDerWaalsContact C-N 3.34Å; I404-S406 PolarHBondContact O-N 2.54Å; S406-D408 VanDerWaalsContact C-N 3.35Å; S406-L409 PolarHBondContact O-N 2.93Å; S406-L410 WeakPolarHBondContact O-CG 3.46Å; S406-L410 PolarHBondContact O-N 2.93Å
407Y95.3Very high93.8Very high20 Ų2058.7 Ų58.78%0.07831%0.305CS..Hα-helixtrans-68.3-34.5174.6-172.4-112000112.5V110 G383 D384 M387 L403 I404 L410 T411V110-Y407 HydrophobicContact CG1-CD2 4.09Å; V110-Y407 HydrophobicContact CG1-CE2 4.03Å; G383-Y407 WeakPolarHBondContact CA-OH 3.5Å; D384-Y407 PolarHBondContact N-OH 3.03Å; D384-Y407 VanDerWaalsContact N-OH 3.12Å; D384-Y407 WeakPolarHBondContact OD1-CE1 3.31Å; D384-Y407 PolarHBondContact OD1-OH 3.28Å; M387-Y407 HydrophobicContact CG-CD1 4.23Å; M387-Y407 HydrophobicContact CG-CG 4.43Å; M387-Y407 HydrophobicContact SD-CG 4.42Å; L403-Y407 WeakPolarHBondContact O-CB 3.08Å; L403-Y407 PolarHBondContact O-N 3.29Å; I404-Y407 PolarHBondContact O-N 3.04Å; Y407-L410 PolarHBondContact O-N 3.31Å; Y407-T411 HydrophobicContact CD2-CG2 4.31Å; Y407-T411 HydrophobicContact CE1-CG2 4.19Å; Y407-T411 HydrophobicContact CE2-CG2 3.84Å; Y407-T411 PolarHBondContact O-N 3.41Å; Y407-T411 VanDerWaalsContact O-N 3.14Å; Y407-T411 PolarHBondContact O-OG1 3.1Å
408D95.9Very high93.9Very high76 Ų7658.6 Ų58.641%0.40630%0.297SS..Hα-helixtrans-64.4-43.4172.9-174.671000112I404 R405 S406 L410 T411 S412 H415I404-D408 WeakPolarHBondContact O-CB 3.42Å; I404-D408 PolarHBondContact O-N 3.25Å; R405-D408 PolarHBondContact O-N 3.41Å; S406-D408 VanDerWaalsContact C-N 3.35Å; D408-L410 PolarHBondContact O-N 2.86Å; D408-T411 PolarHBondContact O-N 3.16Å; D408-T411 VanDerWaalsContact O-N 3.1Å; D408-S412 WeakPolarHBondContact O-CA 3.18Å; D408-S412 WeakPolarHBondContact O-CB 3.4Å; D408-S412 PolarHBondContact O-N 2.86Å; D408-H415 IonicContact OD2-CD2 2.99Å
409L95.1Very high93.8Very high48 Ų4861.8 Ų61.825%0.25130%0.296SS..Hα-helixtrans-54.4-38.8174.3-73171.4000112.3I107 R405 S406 H415 M416I107-L409 HydrophobicContact CG2-CB 4.14Å; I107-L409 HydrophobicContact CG2-CD1 4.21Å; R405-L409 WeakPolarHBondContact O-CG 3.41Å; R405-L409 PolarHBondContact O-N 2.72Å; S406-L409 PolarHBondContact O-N 2.93Å; L409-H415 HydrophobicContact CD2-CB 4.38Å; L409-H415 WeakPolarHBondContact O-CB 3.44Å; L409-M416 WeakPolarHBondContact O-CB 3.31Å; L409-M416 PolarHBondContact O-N 3.45Å; L409-M416 VanDerWaalsContact O-N 3.1Å
410L95.2Very high94.1Very high0 Ų060.8 Ų60.80%029%0.29CS..Hα-helixtrans-75.3-29179.4-65.8179.7000114.1I107 F111 Q374 L378 S406 Y407 D408 M416 G417I107-L410 HydrophobicContact CB-CD2 4.19Å; I107-L410 HydrophobicContact CD1-CD2 4.2Å; I107-L410 HydrophobicContact CG2-CD2 4.15Å; I107-L410 HydrophobicContact CG2-CG 4.04Å; F111-L410 HydrophobicContact CB-CD1 4Å; F111-L410 HydrophobicContact CD2-CD1 4.47Å; Q374-L410 PolarHBondContact NE2-O 3.25Å; L378-L410 HydrophobicContact CD1-CB 4.06Å; S406-L410 WeakPolarHBondContact O-CG 3.46Å; S406-L410 PolarHBondContact O-N 2.93Å; Y407-L410 PolarHBondContact O-N 3.31Å; D408-L410 PolarHBondContact O-N 2.86Å; L410-M416 HydrophobicContact CD2-SD 3.92Å; L410-G417 WeakPolarHBondContact O-CA 3.48Å
411T95.2Very high94.3Very high9 Ų957.2 Ų57.26%0.05528%0.278CS..Hα-helixtrans-119.1-12.8-167.160.60000114.7R375 L378 Y407 D408R375-T411 WeakPolarHBondContact CB-O 3.29Å; R375-T411 WeakPolarHBondContact CD-O 3.47Å; R375-T411 WeakPolarHBondContact CG-O 3.36Å; R375-T411 PolarHBondContact NH1-O 3.41Å; L378-T411 HydrophobicContact CB-CG2 4.46Å; L378-T411 HydrophobicContact CD1-CG2 4.12Å; Y407-T411 HydrophobicContact CD2-CG2 4.31Å; Y407-T411 HydrophobicContact CE1-CG2 4.19Å; Y407-T411 HydrophobicContact CE2-CG2 3.84Å; Y407-T411 PolarHBondContact O-N 3.41Å; Y407-T411 VanDerWaalsContact O-N 3.14Å; Y407-T411 PolarHBondContact O-OG1 3.1Å; D408-T411 PolarHBondContact O-N 3.16Å; D408-T411 VanDerWaalsContact O-N 3.1Å
412S94.9Very high94.4Very high19 Ų1949.9 Ų49.913%0.13325%0.246CC..  trans-75.5135.9178.8-179.50000111.2D408 A414 H415 G417D408-S412 WeakPolarHBondContact O-CA 3.18Å; D408-S412 WeakPolarHBondContact O-CB 3.4Å; D408-S412 PolarHBondContact O-N 2.86Å; S412-A414 PolarHBondContact O-N 3.28Å; S412-A414 PolarHBondContact OG-N 3.32Å; S412-H415 CarbonylContact O-C 3.54Å; S412-H415 PolarHBondContact O-N 2.99Å; S412-G417 WeakPolarHBondContact O-CA 3.4Å; S412-G417 PolarHBondContact O-N 3.12Å
413P92.5Very high94.7Very high71 Ų7145.5 Ų45.546%0.46123%0.225SC..THydrogen-bonded Turntrans-61-25.6173.5-24.135.9000113.7H415 E418P413-H415 PolarHBondContact O-N 3.49Å; P413-E418 HydrophobicContact CB-CG 3.69Å; P413-E418 HydrophobicContact CG-CG 4.1Å
414A90.3Very high94.9Very high62 Ų6245.7 Ų45.751%0.51223%0.227SC..THydrogen-bonded Turntrans-68.7-22.1176.300000112.6S412 R419S412-A414 PolarHBondContact O-N 3.28Å; S412-A414 PolarHBondContact OG-N 3.32Å; A414-R419 PolarHBondContact O-NH2 2.91Å
415H90.3Very high95Very high78 Ų7841.5 Ų41.536%0.36121%0.206SC..THydrogen-bonded Turntrans-116.4-125.7-175.2-60.9-55.4000110.5D408 L409 S412 P413 R419D408-H415 IonicContact OD2-CD2 2.99Å; L409-H415 HydrophobicContact CD2-CB 4.38Å; L409-H415 WeakPolarHBondContact O-CB 3.44Å; S412-H415 CarbonylContact O-C 3.54Å; S412-H415 PolarHBondContact O-N 2.99Å; P413-H415 PolarHBondContact O-N 3.49Å; H415-R419 VanDerWaalsContact O-CD 3.28Å; H415-R419 WeakPolarHBondContact O-CD 3.25Å; H415-R419 WeakPolarHBondContact O-CG 3.46Å; H415-R419 PolarHBondContact O-NE 3.39Å
416M92Very high95Very high14 Ų1433 Ų337%0.06917%0.174CC..THydrogen-bonded Turntrans-82.3-18.2-172.5-59.5171.589.600112.9S104 I107 L409 L410 E418 R419 F420S104-M416 WeakPolarHBondContact OG-CE 3.5Å; I107-M416 HydrophobicContact CD1-CE 4.11Å; I107-M416 HydrophobicContact CD1-SD 3.31Å; I107-M416 WeakPolarHBondContact CD1-SD 3.32Å; L409-M416 WeakPolarHBondContact O-CB 3.31Å; L409-M416 PolarHBondContact O-N 3.45Å; L409-M416 VanDerWaalsContact O-N 3.1Å; L410-M416 HydrophobicContact CD2-SD 3.92Å; M416-E418 VanDerWaalsContact C-N 3.34Å; M416-E418 PolarHBondContact O-N 3.17Å; M416-R419 PolarHBondContact O-N 2.85Å; M416-F420 HydrophobicContact CB-CD2 3.72Å; M416-F420 HydrophobicContact CB-CE2 4Å; M416-F420 HydrophobicContact CE-CD2 4Å; M416-F420 HydrophobicContact CE-CE2 3.17Å; M416-F420 HydrophobicContact CE-CZ 3.5Å; M416-F420 HydrophobicContact CG-CD2 4.17Å; M416-F420 HydrophobicContact CG-CE2 3.93Å; M416-F420 PolarHBondContact O-N 2.91Å; M416-F420 VanDerWaalsContact O-N 3.09Å; M416-F420 HydrophobicContact SD-CE2 4.38Å
417G93.9Very high94.9Very high0 Ų033.4 Ų33.40%018%0.178CC..THydrogen-bonded Turntrans-56.7-39.1-165.700000115.3S373 Q374 R375 L410 S412S373-G417 WeakPolarHBondContact CB-O 3.39Å; Q374-G417 PolarHBondContact N-O 3.1Å; R375-G417 WeakPolarHBondContact CB-O 3.41Å; R375-G417 PolarHBondContact N-O 3.03Å; L410-G417 WeakPolarHBondContact O-CA 3.48Å; S412-G417 WeakPolarHBondContact O-CA 3.4Å; S412-G417 PolarHBondContact O-N 3.12Å
418E94.6Very high94.4Very high89 Ų8935.4 Ų35.442%0.41619%0.194SC..THydrogen-bonded Turntrans-108.1-10.2178.1-60-56152.200113.7S373 R375 P413 M416S373-E418 WeakPolarHBondContact CB-OE2 3.37Å; S373-E418 PolarHBondContact OG-OE2 2.94Å; R375-E418 WeakPolarHBondContact CD-OE1 3.31Å; P413-E418 HydrophobicContact CB-CG 3.69Å; P413-E418 HydrophobicContact CG-CG 4.1Å; M416-E418 VanDerWaalsContact C-N 3.34Å; M416-E418 PolarHBondContact O-N 3.17Å
419R93.1Very high93.6Very high146 Ų14634.2 Ų34.255%0.55120%0.199SC*.THydrogen-bonded Turntrans-84-34-179.6-61.1-176.4-171-1702.8112Y319 G320 A414 H415 M416Y319-R419 HydrophobicContact CD1-CB 3.99Å; Y319-R419 HydrophobicContact CE1-CB 4.22Å; G320-R419 PolarHBondContact N-O 2.71Å; A414-R419 PolarHBondContact O-NH2 2.91Å; H415-R419 VanDerWaalsContact O-CD 3.28Å; H415-R419 WeakPolarHBondContact O-CD 3.25Å; H415-R419 WeakPolarHBondContact O-CG 3.46Å; H415-R419 PolarHBondContact O-NE 3.39Å; M416-R419 PolarHBondContact O-N 2.85Å
420F96Very high92.9Very high0 Ų033.6 Ų33.60%019%0.193CC..EExtended strand (participates in β ladder)trans-86.7137.2173.6-83.9-97.8000111.3H232 E233 D318 Y319 S373 Q374 M416H232-F420 AromaticContact NE2-CE1 3.93Å; E233-F420 VanDerWaalsContact CD-CZ 3.5Å; E233-F420 HydrophobicContact CG-CE1 3.45Å; E233-F420 VanDerWaalsContact CG-CE1 3.45Å; E233-F420 HydrophobicContact CG-CZ 3.76Å; E233-F420 WeakPolarHBondContact OE1-CZ 3.16Å; D318-F420 WeakPolarHBondContact O-CA 3.25Å; Y319-F420 AromaticContact CD1-CD2 3.9Å; Y319-F420 HydrophobicContact CD1-CD2 3.9Å; Y319-F420 AromaticContact CD1-CE2 3.68Å; Y319-F420 HydrophobicContact CD1-CE2 3.68Å; Y319-F420 HydrophobicContact CD1-CZ 4.15Å; Y319-F420 AromaticContact CD2-CE1 3.97Å; Y319-F420 HydrophobicContact CD2-CE1 3.97Å; Y319-F420 AromaticContact CD2-CE2 3.93Å; Y319-F420 HydrophobicContact CD2-CE2 3.93Å; Y319-F420 AromaticContact CD2-CZ 3.52Å; Y319-F420 HydrophobicContact CD2-CZ 3.52Å; Y319-F420 AromaticContact CE1-CD2 3.66Å; Y319-F420 HydrophobicContact CE1-CD2 3.66Å; Y319-F420 AromaticContact CE1-CE2 3.12Å; Y319-F420 HydrophobicContact CE1-CE2 3.12Å; Y319-F420 AromaticContact CE1-CZ 3.78Å; Y319-F420 HydrophobicContact CE1-CZ 3.78Å; Y319-F420 HydrophobicContact CE2-CD2 4.47Å; Y319-F420 AromaticContact CE2-CE1 3.96Å; Y319-F420 HydrophobicContact CE2-CE1 3.96Å; Y319-F420 AromaticContact CE2-CE2 3.42Å; Y319-F420 HydrophobicContact CE2-CE2 3.42Å; Y319-F420 VanDerWaalsContact CE2-CE2 3.42Å; Y319-F420 AromaticContact CE2-CZ 3.08Å; Y319-F420 HydrophobicContact CE2-CZ 3.08Å; Y319-F420 HydrophobicContact CG-CD2 4.41Å; Y319-F420 HydrophobicContact CG-CE1 4.39Å; Y319-F420 HydrophobicContact CG-CE2 4.06Å; Y319-F420 HydrophobicContact CG-CZ 4.04Å; Y319-F420 AromaticContact CZ-CD2 3.98Å; Y319-F420 AromaticContact CZ-CE2 2.97Å; Y319-F420 AromaticContact CZ-CZ 3.23Å; Y319-F420 VanDerWaalsContact OH-CE2 3.24Å; Y319-F420 WeakPolarHBondContact OH-CE2 3.43Å; S373-F420 CarbonylContact C-O 3.58Å; S373-F420 WeakPolarHBondContact CA-O 3.4Å; Q374-F420 HydrophobicContact CB-CB 3.59Å; Q374-F420 HydrophobicContact CG-CB 4.35Å; Q374-F420 PolarHBondContact N-O 3.39Å; M416-F420 HydrophobicContact CB-CD2 3.72Å; M416-F420 HydrophobicContact CB-CE2 4Å; M416-F420 HydrophobicContact CE-CD2 4Å; M416-F420 HydrophobicContact CE-CE2 3.17Å; M416-F420 HydrophobicContact CE-CZ 3.5Å; M416-F420 HydrophobicContact CG-CD2 4.17Å; M416-F420 HydrophobicContact CG-CE2 3.93Å; M416-F420 PolarHBondContact O-N 2.91Å; M416-F420 VanDerWaalsContact O-N 3.09Å; M416-F420 HydrophobicContact SD-CE2 4.38Å
421L98.2Very high92.2Very high24 Ų2437.6 Ų37.613%0.12621%0.214CC..EExtended strand (participates in β ladder)trans-122.4145.7178.3-61-177.8000110.2A317 D318 F355 P371 V372A317-L421 WeakPolarHBondContact CA-O 3.49Å; D318-L421 PolarHBondContact N-O 3.25Å; D318-L421 VanDerWaalsContact N-O 3.08Å; D318-L421 PolarHBondContact O-N 3.49Å; F355-L421 HydrophobicContact CD2-CB 3.91Å; F355-L421 HydrophobicContact CD2-CD1 3.83Å; F355-L421 HydrophobicContact CD2-CG 4.47Å; F355-L421 HydrophobicContact CE2-CB 3.53Å; F355-L421 HydrophobicContact CE2-CD1 4.14Å; F355-L421 HydrophobicContact CE2-CG 4.33Å; F355-L421 HydrophobicContact CZ-CB 3.86Å; F355-L421 WeakPolarHBondContact CZ-O 3.43Å; P371-L421 HydrophobicContact CB-CB 3.97Å; P371-L421 HydrophobicContact CB-CD1 4.22Å; P371-L421 HydrophobicContact CG-CD1 4.38Å; V372-L421 CarbonylContact O-C 3.59Å; V372-L421 WeakPolarHBondContact O-CA 3.45Å
422F98.4Very high91.1Very high4 Ų442 Ų422%0.01824%0.241CC..EExtended strand (participates in β ladder)trans-117.7118.7-178.1-79.6-116.5000109.2F111 L115 L315 I316 A317 P371 V372 Q374 F377F111-F422 AromaticContact CE2-CZ 3.79Å; F111-F422 HydrophobicContact CE2-CZ 3.79Å; F111-F422 AromaticContact CZ-CZ 3.91Å; F111-F422 HydrophobicContact CZ-CZ 3.91Å; L115-F422 HydrophobicContact CD1-CE1 4.34Å; L315-F422 HydrophobicContact CD1-CD1 4.05Å; L315-F422 HydrophobicContact CD2-CD1 3.99Å; L315-F422 HydrophobicContact CD2-CE1 4.11Å; L315-F422 HydrophobicContact CG-CD1 4.08Å; I316-F422 CarbonylContact O-C 3.42Å; I316-F422 WeakPolarHBondContact O-CA 3.36Å; A317-F422 HydrophobicContact CB-CD1 3.86Å; A317-F422 HydrophobicContact CB-CD2 4.06Å; A317-F422 HydrophobicContact CB-CE1 3.58Å; A317-F422 HydrophobicContact CB-CE2 3.77Å; A317-F422 HydrophobicContact CB-CG 4.08Å; A317-F422 HydrophobicContact CB-CZ 3.53Å; P371-F422 CarbonylContact C-O 3.58Å; P371-F422 VanDerWaalsContact CA-O 3.26Å; P371-F422 WeakPolarHBondContact CA-O 3.48Å; V372-F422 HydrophobicContact CG2-CB 4.12Å; V372-F422 PolarHBondContact N-O 2.6Å; V372-F422 PolarHBondContact O-N 2.94Å; Q374-F422 HydrophobicContact CB-CD2 4.09Å; Q374-F422 HydrophobicContact CB-CE2 3.63Å; Q374-F422 HydrophobicContact CG-CE2 3.73Å; Q374-F422 HydrophobicContact CG-CZ 4.31Å; F377-F422 HydrophobicContact CB-CB 4.34Å; F377-F422 HydrophobicContact CB-CD1 4.2Å; F377-F422 HydrophobicContact CB-CD2 4.37Å; F377-F422 HydrophobicContact CB-CG 4.04Å; F377-F422 AromaticContact CD1-CD1 3.57Å; F377-F422 HydrophobicContact CD1-CD1 3.57Å; F377-F422 AromaticContact CD1-CE1 3.54Å; F377-F422 HydrophobicContact CD1-CE1 3.54Å; F377-F422 HydrophobicContact CD1-CG 4.26Å; F377-F422 HydrophobicContact CD1-CZ 4.22Å; F377-F422 HydrophobicContact CD2-CB 4.21Å; F377-F422 AromaticContact CD2-CD1 3.87Å; F377-F422 HydrophobicContact CD2-CD1 3.87Å; F377-F422 HydrophobicContact CD2-CG 4.24Å; F377-F422 AromaticContact CE1-CD1 3.83Å; F377-F422 HydrophobicContact CE1-CD1 3.83Å; F377-F422 AromaticContact CE1-CE1 3.71Å; F377-F422 HydrophobicContact CE1-CE1 3.71Å; F377-F422 HydrophobicContact CE2-CD1 4.11Å; F377-F422 HydrophobicContact CG-CB 4.3Å; F377-F422 AromaticContact CG-CD1 3.59Å; F377-F422 HydrophobicContact CG-CD1 3.59Å; F377-F422 HydrophobicContact CG-CE1 4.05Å; F377-F422 AromaticContact CG-CG 3.92Å; F377-F422 HydrophobicContact CG-CG 3.92Å; F377-F422 HydrophobicContact CZ-CD1 4.09Å; F377-F422 HydrophobicContact CZ-CE1 4.34Å
423L98.5Very high89.2Confident0 Ų045.1 Ų45.10%027%0.268CS..EExtended strand (participates in β ladder)trans-114.4134.2173.4174.572.9000109.2I316 F355 L358 C368I316-L423 PolarHBondContact N-O 3.25Å; I316-L423 PolarHBondContact O-N 3.26Å; F355-L423 HydrophobicContact CD1-CB 3.46Å; F355-L423 VanDerWaalsContact CD1-CB 3.46Å; F355-L423 HydrophobicContact CD1-CD2 3.95Å; F355-L423 HydrophobicContact CD1-CG 4.28Å; F355-L423 HydrophobicContact CE1-CB 3.7Å; L358-L423 HydrophobicContact CB-CD2 4.02Å; C368-L423 HydrophobicContact CB-CD1 4.48Å
424C97.7Very high87.4Confident15 Ų1547 Ų4710%0.10128%0.28CS..EExtended strand (participates in β ladder)trans-117135.4179-174.80000111.4A314 L315 C368 L369 L426A314-C424 CarbonylContact O-C 3.56Å; A314-C424 VanDerWaalsContact O-CA 3.28Å; A314-C424 WeakPolarHBondContact O-CA 3.35Å; A314-C424 PolarHBondContact O-SG 3.47Å; A314-C424 VanDerWaalsContact O-SG 3.33Å; L315-C424 HydrophobicContact CD1-CB 4.16Å; C368-C424 CarbonylContact C-O 3.56Å; C368-C424 WeakPolarHBondContact CA-O 3.33Å; L369-C424 HydrophobicContact CB-CB 4.45Å; L369-C424 PolarHBondContact N-O 2.92Å; L369-C424 PolarHBondContact O-N 3.15Å; C424-L426 VanDerWaalsContact SG-CD2 3.53Å
425L98.1Very high85.1Confident0 Ų049.9 Ų49.90%029%0.294CS..EExtended strand (participates in β ladder)trans-107130.3169.6-49179.8000108.8V300 L303 I307 A313 A314 A362 V366 A367 C368V300-L425 HydrophobicContact CG1-CD1 4.11Å; L303-L425 HydrophobicContact CB-CD1 4.19Å; I307-L425 HydrophobicContact CD1-CB 3.8Å; A313-L425 CarbonylContact C-O 3.6Å; A313-L425 VanDerWaalsContact CA-O 3.29Å; A313-L425 WeakPolarHBondContact CA-O 3.18Å; A314-L425 HydrophobicContact CB-CB 4.1Å; A314-L425 HydrophobicContact CB-CD1 4.25Å; A314-L425 HydrophobicContact CB-CG 4.29Å; A314-L425 PolarHBondContact N-O 3.09Å; A314-L425 PolarHBondContact O-N 3.05Å; A362-L425 HydrophobicContact CB-CD1 4.47Å; A362-L425 HydrophobicContact CB-CD2 3.82Å; V366-L425 HydrophobicContact CG2-CB 4.42Å; V366-L425 HydrophobicContact CG2-CD2 4.48Å; A367-L425 CarbonylContact O-C 3.6Å; A367-L425 WeakPolarHBondContact O-CA 3.38Å; C368-L425 HydrophobicContact CB-CD2 4.31Å; C368-L425 WeakPolarHBondContact SG-CD2 3.44Å
426L95.6Very high82.6Confident5 Ų552 Ų523%0.02631%0.313CS..EExtended strand (participates in β ladder)trans-132.4149.4-176.4-63.3175.3000111.3E122 A313 V366 A367 L369 C424 R430 L431E122-L426 WeakPolarHBondContact OE2-CD2 3.45Å; A313-L426 HydrophobicContact CB-CD2 3.64Å; V366-L426 WeakPolarHBondContact CB-O 3.29Å; A367-L426 HydrophobicContact CB-CB 4.37Å; A367-L426 PolarHBondContact N-O 2.86Å; A367-L426 PolarHBondContact O-N 3.32Å; L369-L426 HydrophobicContact CD1-CD1 3.59Å; L369-L426 HydrophobicContact CG-CD1 4.26Å; C424-L426 VanDerWaalsContact SG-CD2 3.53Å; L426-R430 HydrophobicContact CB-CB 4.35Å; L426-L431 HydrophobicContact CD1-CD2 4.5Å
427A91.3Very high80.2Confident21 Ų2157 Ų5717%0.17435%0.346CS..  trans-58.2134.3167.800000110.2I307 G429 R430I307-A427 HydrophobicContact CG2-CB 4.01Å; I307-A427 VanDerWaalsContact CG2-N 3.32Å; A427-G429 PolarHBondContact O-N 3.19Å; A427-G429 VanDerWaalsContact O-N 3.1Å; A427-R430 HydrophobicContact CB-CG 4.34Å; A427-R430 VanDerWaalsContact O-CB 3.23Å; A427-R430 WeakPolarHBondContact O-CB 3.4Å; A427-R430 PolarHBondContact O-N 3.34Å
428P85.4Confident77.8Confident63 Ų6364 Ų6441%0.40939%0.389SS..G310 helixtrans-54.3-36.4-174.9-28.935.5000114.2G365 R430 L431G365-P428 WeakPolarHBondContact O-CD 3.38Å; G365-P428 VanDerWaalsContact O-CG 3.26Å; G365-P428 WeakPolarHBondContact O-CG 3.44Å; P428-R430 PolarHBondContact O-N 3.31Å; P428-R430 VanDerWaalsContact O-N 3.11Å; P428-L431 PolarHBondContact O-N 3.11Å
429G80.3Confident75.6Confident50 Ų5062.9 Ų62.952%0.51540%0.401SS..G310 helixtrans-57.1-25.1176.100000114.1A427 L431 T432A427-G429 PolarHBondContact O-N 3.19Å; A427-G429 VanDerWaalsContact O-N 3.1Å; G429-L431 PolarHBondContact O-N 3.47Å; G429-T432 PolarHBondContact O-N 3.1Å; G429-T432 PolarHBondContact O-OG1 3.48Å
430R80.5Confident73Confident35 Ų3563.2 Ų63.213%0.13241%0.413CS..G310 helixtrans-64.3-23.7176.3-70.3-76-69.8106.80.1113.5E122 A125 L426 A427 P428E122-R430 IonicContact OE1-NH2 3.07Å; E122-R430 PolarHBondContact OE1-NH2 3.38Å; E122-R430 VanDerWaalsContact OE1-NH2 3.07Å; E122-R430 IonicContact OE2-CZ 3.32Å; E122-R430 IonicContact OE2-NE 3.13Å; E122-R430 PolarHBondContact OE2-NE 2.89Å; E122-R430 VanDerWaalsContact OE2-NE 3.13Å; E122-R430 IonicContact OE2-NH2 2.68Å; E122-R430 PolarHBondContact OE2-NH2 3.25Å; A125-R430 VanDerWaalsContact CB-NH1 3.32Å; L426-R430 HydrophobicContact CB-CB 4.35Å; A427-R430 HydrophobicContact CB-CG 4.34Å; A427-R430 VanDerWaalsContact O-CB 3.23Å; A427-R430 WeakPolarHBondContact O-CB 3.4Å; A427-R430 PolarHBondContact O-N 3.34Å; P428-R430 PolarHBondContact O-N 3.31Å; P428-R430 VanDerWaalsContact O-N 3.11Å
431L79.8Confident70.5Confident84 Ų8473.6 Ų73.644%0.4446%0.459SS..G310 helixtrans-92-12.9178.5-63-168.4000113.3A367 L369 L426 P428 G429A367-L431 HydrophobicContact CB-CD1 3.38Å; A367-L431 HydrophobicContact CB-CG 3.9Å; L369-L431 HydrophobicContact CD1-CD2 4.25Å; L369-L431 HydrophobicContact CD2-CD1 4.43Å; L369-L431 HydrophobicContact CD2-CD2 4.48Å; L426-L431 HydrophobicContact CD1-CD2 4.5Å; P428-L431 PolarHBondContact O-N 3.11Å; G429-L431 PolarHBondContact O-N 3.47Å
432T71.5Confident67.8Low101 Ų10179.5 Ų79.562%0.6249%0.489SS*.SBendtrans-70.7132.217664.10000110G429G429-T432 PolarHBondContact O-N 3.1Å; G429-T432 PolarHBondContact O-OG1 3.48Å
433A54.3Low64.9Low85 Ų8587 Ų8770%0.70253%0.529SS*.PPolyproline II helixtrans-64.4142172.600000108.9
434P55.3Low62.1Low110 Ų11099.1 Ų99.171%0.71458%0.575SS**PPolyproline II helixtrans-57.7141.817223.8-31.1000109.2T436P434-T436 PolarHBondContact O-N 2.59Å
435P41.7Very low59.1Low123 Ų123107.9 Ų107.980%0.79961%0.612SS**PPolyproline II helixtrans-55128.1176.820.5-29.9000109.1P437P435-P437 WeakPolarHBondContact O-CD 3.28Å
436T37.9Very low56.1Low123 Ų123113.1 Ų113.176%0.75565%0.648SS**PPolyproline II helixtrans-67.1123.1174.8-480000106.9P434 T438P434-T436 PolarHBondContact O-N 2.59Å; T436-T438 PolarHBondContact O-N 2.79Å
437P41.6Very low53.2Low118 Ų118119.1 Ų119.177%0.76669%0.688SS**  trans-60.4109.8178.4-19.830.7000109.3P435 G439P435-P437 WeakPolarHBondContact O-CD 3.28Å; P437-G439 PolarHBondContact O-N 2.84Å
438T44.3Very low50.4Low148 Ų148121.8 Ų121.891%0.90871%0.71SS**SBendtrans-78.1101.8171.925.50000108.1T436T436-T438 PolarHBondContact O-N 2.79Å
439G48.1Very low47.8Very low65 Ų65124.6 Ų124.667%0.6773%0.728SS**  trans12277.1170.700000114P437P437-G439 PolarHBondContact O-N 2.84Å
440L37.9Very low45.3Very low154 Ų154129.9 Ų129.981%0.80674%0.743SS**  trans-162.796.4144.4-99.3160.5000105.9L442L440-L442 PolarHBondContact O-N 2.9Å; L440-L442 VanDerWaalsContact O-N 3.07Å
441K44.5Very low42.9Very low218 Ų218133.8 Ų133.895%0.94877%0.773SS**  trans-67.4103.1167.6-78.3-176.8177.9178.70106.9
442L40.8Very low40.7Very low148 Ų148131.4 Ų131.478%0.77576%0.762SS**  trans-101.7122.8167.2-92.2147000108L440 R444L440-L442 PolarHBondContact O-N 2.9Å; L440-L442 VanDerWaalsContact O-N 3.07Å; L442-R444 PolarHBondContact O-N 3.4Å
443D37.8Very low38.9Very low160 Ų160130.3 Ų130.386%0.85676%0.764SS**  trans-54.1132.9179.5-77.2-40.8000111.6K445D443-K445 PolarHBondContact O-N 2.9Å
444R40.1Very low37.9Very low255 Ų255129.5 Ų129.596%0.96276%0.763SS**  trans-65.598.2175.8-85.7178.6158.7178.9-5.2110L442L442-R444 PolarHBondContact O-N 3.4Å
445K35Very low37.4Very low200 Ų200126.9 Ų126.987%0.8774%0.741SS**  trans-94.6144.3147.1-78.2-176176.4178.50108.8D443D443-K445 PolarHBondContact O-N 2.9Å
446S34.5Very low37Very low110 Ų110126.1 Ų126.177%0.76974%0.738SS**SBendtrans-36.9149.3-174.8-540000115.1A448S446-A448 PolarHBondContact O-N 3.03Å
447P34Very low37Very low131 Ų131128.9 Ų128.985%0.85174%0.743SS**  trans-71.996.5-161.630-33.5000111.4
448A32.5Very low36.7Very low77 Ų77125.7 Ų125.764%0.63672%0.719SS**PPolyproline II helixtrans-61.7139.3150.200000107.7S446 L450S446-A448 PolarHBondContact O-N 3.03Å; A448-L450 PolarHBondContact O-N 3.05Å; A448-L450 VanDerWaalsContact O-N 3.09Å
449P30.7Very low35.9Very low121 Ų121129.3 Ų129.379%0.78672%0.716SS**PPolyproline II helixtrans-56121.8178.921.5-30.7000109.3
450L28.7Very low35.1Very low161 Ų161136.3 Ų136.384%0.84373%0.728SS**PPolyproline II helixtrans-50.2125.8-176.4-73.3163.3000110.4A448A448-L450 PolarHBondContact O-N 3.05Å; A448-L450 VanDerWaalsContact O-N 3.09Å
451P30.6Very low34.8Very low118 Ų118138.1 Ų138.177%0.76675%0.754SS**PPolyproline II helixtrans-64.1138.5174.424.5-28.7000109.3A453P451-A453 PolarHBondContact O-N 2.82Å; P451-A453 VanDerWaalsContact O-N 3.14Å
452V33.5Very low34.3Very low33 Ų33134.2 Ų134.220%0.274%0.744CS.*  trans-60.8115.2175.1-176.90000107.7M1 K4 G454 F455M1-V452 HydrophobicContact CE-CG1 3.78Å; M1-V452 HydrophobicContact CG-CG1 4.02Å; K4-V452 HydrophobicContact CD-CG2 4.33Å; V452-G454 PolarHBondContact O-N 2.83Å; V452-G454 VanDerWaalsContact O-N 3.12Å; V452-F455 HydrophobicContact CB-CD2 4.23Å; V452-F455 HydrophobicContact CG1-CD2 3.67Å; V452-F455 HydrophobicContact CG1-CE2 4.11Å; V452-F455 PolarHBondContact O-N 2.94Å
453A32.6Very low33.9Very low79 Ų79133.4 Ų133.465%0.65374%0.742SS**THydrogen-bonded Turntrans-56118.817300000109.2M1 P451M1-A453 HydrophobicContact CE-CB 3.93Å; M1-A453 WeakPolarHBondContact CE-O 3.33Å; P451-A453 PolarHBondContact O-N 2.82Å; P451-A453 VanDerWaalsContact O-N 3.14Å
454G34.4Very low33.7Very low67 Ų67131.9 Ų131.969%0.69174%0.736SS**THydrogen-bonded Turntrans114.13.5178.600000117.3V452V452-G454 PolarHBondContact O-N 2.83Å; V452-G454 VanDerWaalsContact O-N 3.12Å
455F44.6Very low33.3Very low56 Ų56124.7 Ų124.725%0.24672%0.723CS.*  trans-132.948.4-175.8-69.6-74.7000115V5 M124 V452 E457 L458V5-F455 HydrophobicContact CG1-CZ 4.41Å; V5-F455 HydrophobicContact CG2-CE2 4.01Å; V5-F455 HydrophobicContact CG2-CZ 4.44Å; M124-F455 HydrophobicContact CE-CE1 4.47Å; M124-F455 HydrophobicContact CE-CZ 4.11Å; V452-F455 HydrophobicContact CB-CD2 4.23Å; V452-F455 HydrophobicContact CG1-CD2 3.67Å; V452-F455 HydrophobicContact CG1-CE2 4.11Å; V452-F455 PolarHBondContact O-N 2.94Å; F455-E457 VanDerWaalsContact C-N 3.31Å; F455-L458 HydrophobicContact CB-CD1 4Å; F455-L458 HydrophobicContact CB-CG 4.27Å; F455-L458 HydrophobicContact CD1-CD1 3.22Å; F455-L458 HydrophobicContact CD1-CD2 4.21Å; F455-L458 HydrophobicContact CD1-CG 3.6Å; F455-L458 HydrophobicContact CE1-CD1 3.83Å; F455-L458 HydrophobicContact CE1-CG 4.39Å; F455-L458 HydrophobicContact CG-CD1 3.85Å; F455-L458 HydrophobicContact CG-CG 4.36Å
456S32.8Very low33.2Very low106 Ų106120 Ų12074%0.74171%0.714SS**SBendtrans-74.3-18.7166.939.70000113.5
457E37.5Very low33.2Very low182 Ų182120.7 Ų120.785%0.8571%0.71SS**SBendtrans-99.511-172-65.8179.1-17800114.8F455 R459F455-E457 VanDerWaalsContact C-N 3.31Å; E457-R459 VanDerWaalsContact C-N 3.26Å; E457-R459 PolarHBondContact O-N 3.02Å
458L36.6Very low33.1Very low51 Ų51119.9 Ų119.927%0.26770%0.7SS.*  trans-88.823.2174.5-63.2-175.7000113.7F455 F460F455-L458 HydrophobicContact CB-CD1 4Å; F455-L458 HydrophobicContact CB-CG 4.27Å; F455-L458 HydrophobicContact CD1-CD1 3.22Å; F455-L458 HydrophobicContact CD1-CD2 4.21Å; F455-L458 HydrophobicContact CD1-CG 3.6Å; F455-L458 HydrophobicContact CE1-CD1 3.83Å; F455-L458 HydrophobicContact CE1-CG 4.39Å; F455-L458 HydrophobicContact CG-CD1 3.85Å; F455-L458 HydrophobicContact CG-CG 4.36Å; L458-F460 PolarHBondContact O-N 2.89Å
459R27.2Very low33.1Very low224 Ų224123.2 Ų123.285%0.84571%0.705SS**  trans-74.6125172.4-72.2-170.3-176.3-176.62.3109E457 S461E457-R459 VanDerWaalsContact C-N 3.26Å; E457-R459 PolarHBondContact O-N 3.02Å; R459-S461 PolarHBondContact O-N 3.04Å
460F31Very low33.3Very low211 Ų211123.4 Ų123.493%0.92570%0.698SS**  trans-54.1124.1170.4-68.3-89.5000109.4L458L458-F460 PolarHBondContact O-N 2.89Å
461S30.6Very low33.8Very low193 Ų193120 Ų120100%1.3569%0.685SS**  trans-118.40150.5-590000106.9R459R459-S461 PolarHBondContact O-N 3.04Å

Retrieved 461 of 461 residues in 400.6 ms (Link to these results)

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