A0A061IPQ3_CRIGR Loading...

Protein canopy homolog 3

AlphaFold DB , UniProt , Accession A0A061IPQ3, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Cnpy3, Length 274 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
1M36.9Very low42.5Very low235 Ų235142.4 Ų142.4100%1.15877%0.769SS**  0123.70-71.7146.8170.300106.6
2E35.7Very low43.3Very low190 Ų190141.7 Ų141.789%0.88876%0.764SS**  cis-159.1157.7-7.4-102.9-171.6108.400105.9
3S38.3Very low44.2Very low101 Ų101138.9 Ų138.971%0.70675%0.748SS**  trans-72.7153.7178.2-104.60000113.3
4M40.7Very low45.1Very low158 Ų158137.4 Ų137.478%0.77874%0.738SS**  trans68.4143.7141.1-59-179.883.900116.2
5S38Very low46.1Very low97 Ų97133 Ų13368%0.67872%0.72SS**  -165.9137.753-49.20000112.6
6E42.6Very low47Very low156 Ų156132.1 Ų132.173%0.72971%0.714SS**  67.3133.9126.4-75.5-174.899.200124.8
7L37Very low47.8Very low143 Ų143131.1 Ų131.175%0.74971%0.707SS**  trans87.3102.6138.3-104.771.8000119.3
8A46.1Very low48.5Very low74 Ų74129.8 Ų129.861%0.61270%0.699SS**  -162.4122.2106.800000112.4R10A8-R10 HydrophobicContact CB-CG 4.37Å; A8-R10 PolarHBondContact O-N 3.02Å
9P50.5Low49.1Very low106 Ų106129.1 Ų129.169%0.68870%0.695SS**THydrogen-bonded Turntrans-83.237.9179.136.6-35.5000112.2
10R50.1Low49.6Very low198 Ų198125.9 Ų125.975%0.74768%0.682SS**THydrogen-bonded Turntrans-96.4-15-170.1-68.6-176.1170.8-175.3-2.5114.1A8A8-R10 HydrophobicContact CB-CG 4.37Å; A8-R10 PolarHBondContact O-N 3.02Å
11C51.6Low50Low108 Ų108125.7 Ų125.773%0.7368%0.68SS**THydrogen-bonded Turntrans-84.5-18.5-173.1-129.40000114.3P15C11-P15 VanDerWaalsContact O-CD 3.32Å; C11-P15 WeakPolarHBondContact O-CD 3.32Å
12L52.6Low51.1Low134 Ų134121.2 Ų121.270%0.70266%0.66SS**THydrogen-bonded Turntrans-95.1-12.7-179.9-64.4176.6000113.5P15 L16L12-P15 WeakPolarHBondContact O-CD 3.42Å; L12-P15 WeakPolarHBondContact O-CG 3.43Å; L12-L16 WeakPolarHBondContact O-CD1 3.45Å
13L54.4Low52Low106 Ų106118.8 Ų118.856%0.55565%0.653SS**Hα-helixtrans-75-34.2177.2-68.5172.9000112L16 L17L13-L16 PolarHBondContact O-N 3.34Å; L13-L17 WeakPolarHBondContact O-CB 3.4Å; L13-L17 PolarHBondContact O-N 2.91Å
14L57.2Low53Low117 Ų117119.5 Ų119.561%0.61365%0.648SS**Hα-helixtrans-59.6-50.9177.2-94134.3000113.8L16 L17 L18L14-L16 VanDerWaalsContact C-N 3.35Å; L14-L16 PolarHBondContact O-N 2.83Å; L14-L17 PolarHBondContact O-N 3.36Å; L14-L18 WeakPolarHBondContact O-CD1 3.34Å; L14-L18 PolarHBondContact O-N 3.06Å
15P59.8Low53.9Low72 Ų72117.6 Ų117.647%0.46865%0.648SS.*Hα-helixtrans-68.7-32177.525-32.7000112.6C11 L12 L19C11-P15 VanDerWaalsContact O-CD 3.32Å; C11-P15 WeakPolarHBondContact O-CD 3.32Å; L12-P15 WeakPolarHBondContact O-CD 3.42Å; L12-P15 WeakPolarHBondContact O-CG 3.43Å; P15-L19 WeakPolarHBondContact O-CB 3.32Å; P15-L19 PolarHBondContact O-N 3.49Å
16L59.9Low55Low119 Ų119116.8 Ų116.862%0.62365%0.646SS**Hα-helixtrans-67.5-39.1172.8-104.399.7000112.5L12 L13 L14 L19 S20L12-L16 WeakPolarHBondContact O-CD1 3.45Å; L13-L16 PolarHBondContact O-N 3.34Å; L14-L16 VanDerWaalsContact C-N 3.35Å; L14-L16 PolarHBondContact O-N 2.83Å; L16-L19 PolarHBondContact O-N 3.39Å; L16-S20 PolarHBondContact O-N 3.01Å; L16-S20 PolarHBondContact O-OG 3.31Å; L16-S20 VanDerWaalsContact O-OG 3.08Å
17L61.2Low55.5Low115 Ų115115 Ų11560%0.60265%0.648SS**Hα-helixtrans-65.4-41.5177.3-123126.9000111.2L13 L14 S20 L21L13-L17 WeakPolarHBondContact O-CB 3.4Å; L13-L17 PolarHBondContact O-N 2.91Å; L14-L17 PolarHBondContact O-N 3.36Å; L17-S20 VanDerWaalsContact CA-OG 3.29Å; L17-S20 WeakPolarHBondContact CA-OG 3.43Å; L17-S20 PolarHBondContact O-N 3Å; L17-S20 PolarHBondContact O-OG 3.4Å; L17-L21 PolarHBondContact O-N 2.75Å
18L60.1Low56Low107 Ų107119.4 Ų119.456%0.5666%0.655SS**Hα-helixtrans-64.6-41.2174.3-97.6118.8000112.4L14 L21 L22L14-L18 WeakPolarHBondContact O-CD1 3.34Å; L14-L18 PolarHBondContact O-N 3.06Å; L18-L21 PolarHBondContact O-N 3.08Å; L18-L22 WeakPolarHBondContact O-CD1 3.29Å; L18-L22 PolarHBondContact O-N 3.22Å
19L61.2Low56.4Low117 Ų117123.7 Ų123.761%0.61367%0.667SS**Hα-helixtrans-67-37.2176.7-159.174.6000111.7P15 L16 L21 L22 L23P15-L19 WeakPolarHBondContact O-CB 3.32Å; P15-L19 PolarHBondContact O-N 3.49Å; L16-L19 PolarHBondContact O-N 3.39Å; L19-L21 VanDerWaalsContact C-N 3.33Å; L19-L22 PolarHBondContact O-N 3.26Å; L19-L23 WeakPolarHBondContact O-CD1 3.4Å; L19-L23 PolarHBondContact O-N 3.39Å
20S58.7Low56.6Low64 Ų64120.6 Ų120.645%0.44865%0.654SS.*Hα-helixtrans-67.8-30.8173.555.90000113.1L16 L17 L23 L24L16-S20 PolarHBondContact O-N 3.01Å; L16-S20 PolarHBondContact O-OG 3.31Å; L16-S20 VanDerWaalsContact O-OG 3.08Å; L17-S20 VanDerWaalsContact CA-OG 3.29Å; L17-S20 WeakPolarHBondContact CA-OG 3.43Å; L17-S20 PolarHBondContact O-N 3Å; L17-S20 PolarHBondContact O-OG 3.4Å; S20-L23 PolarHBondContact O-N 3.39Å; S20-L24 WeakPolarHBondContact O-CD1 3.44Å
21L58.3Low56.6Low123 Ų123117.3 Ų117.364%0.64466%0.659SS**Hα-helixtrans-70.9-30.6176.2-140.681000112.5L17 L18 L19 L23 L24L17-L21 PolarHBondContact O-N 2.75Å; L18-L21 PolarHBondContact O-N 3.08Å; L19-L21 VanDerWaalsContact C-N 3.33Å; L21-L23 VanDerWaalsContact C-N 3.33Å; L21-L24 HydrophobicContact CD1-CD1 4.42Å
22L58.2Low56.3Low141 Ų141118 Ų11874%0.73866%0.66SS**Hα-helixtrans-75.6-17.8173.7-93.996.7000113.7L18 L19L18-L22 WeakPolarHBondContact O-CD1 3.29Å; L18-L22 PolarHBondContact O-N 3.22Å; L19-L22 PolarHBondContact O-N 3.26Å
23L56.5Low55.9Low138 Ų138123.5 Ų123.572%0.72367%0.671SS**THydrogen-bonded Turntrans-92.9-2.8176.5-96.884.3000113.9L19 S20 L21 P25L19-L23 WeakPolarHBondContact O-CD1 3.4Å; L19-L23 PolarHBondContact O-N 3.39Å; S20-L23 PolarHBondContact O-N 3.39Å; L21-L23 VanDerWaalsContact C-N 3.33Å; L23-P25 WeakPolarHBondContact O-CD 3.33Å
24L59.3Low55.2Low117 Ų117122.4 Ų122.461%0.61368%0.677SS**SBendtrans-67.6121.2167-85.3104.1000108.3S20 L21 A26S20-L24 WeakPolarHBondContact O-CD1 3.44Å; L21-L24 HydrophobicContact CD1-CD1 4.42Å; L24-A26 PolarHBondContact O-N 3.09Å; L24-A26 VanDerWaalsContact O-N 3.09Å
25P58.1Low54.6Low118 Ų118127.1 Ų127.177%0.76669%0.687SS**  trans-57.7122.8170.923.2-30000107.3L23L23-P25 WeakPolarHBondContact O-CD 3.33Å
26A61.3Low53.7Low79 Ų79127.5 Ų127.565%0.65370%0.697SS**  trans-45.8133.4172.400000107.9L24 R28L24-A26 PolarHBondContact O-N 3.09Å; L24-A26 VanDerWaalsContact O-N 3.09Å; A26-R28 VanDerWaalsContact C-N 3.29Å; A26-R28 PolarHBondContact O-N 2.74Å
27P53.8Low53Low118 Ų118130.2 Ų130.277%0.76671%0.706SS**  trans-56.3107.6169.123.3-29.8000104.9L29P27-L29 PolarHBondContact O-N 2.86Å
28R46.5Very low52.4Low237 Ų237131.6 Ų131.689%0.89471%0.714SS**  trans-59.7104.2167.9-70.8-166.7178.2-1132102.7A26 G30A26-R28 VanDerWaalsContact C-N 3.29Å; A26-R28 PolarHBondContact O-N 2.74Å; R28-G30 PolarHBondContact O-N 2.99Å
29L54.3Low51.9Low163 Ų163132.7 Ų132.785%0.85373%0.725SS**  trans-55.284144.8-103.669000103.6P27P27-L29 PolarHBondContact O-N 2.86Å
30G56.2Low51.7Low42 Ų42133.6 Ų133.643%0.43373%0.731SS.*  trans-52.3147.6156.300000105.6R28 T32R28-G30 PolarHBondContact O-N 2.99Å; G30-T32 PolarHBondContact O-N 2.93Å
31P48.5Very low52Low129 Ų129141.6 Ų141.684%0.83875%0.751SS**  trans-49115.8173.621.3-30.2000106.3R33P31-R33 PolarHBondContact O-N 2.99Å
32T45.9Very low53.2Low123 Ų123138.1 Ų138.176%0.75574%0.735SS**  trans-44117.3158.939.20000103.4G30 A34G30-T32 PolarHBondContact O-N 2.93Å; T32-A34 PolarHBondContact O-N 2.87Å
33R44.8Very low54.6Low248 Ų248138.4 Ų138.494%0.93673%0.726SS**  trans-56.690.8166.8-120.2177.2173.6173.9-3.3103.4P31 R35P31-R33 PolarHBondContact O-N 2.99Å; R33-R35 VanDerWaalsContact C-N 3.34Å; R33-R35 PolarHBondContact O-N 3.26Å
34A38.7Very low56.2Low83 Ų83136.4 Ų136.469%0.68672%0.716SS**  trans-50.8114.6164.900000102.1T32 A36T32-A34 PolarHBondContact O-N 2.87Å; A34-A36 VanDerWaalsContact C-N 3.35Å; A34-A36 PolarHBondContact O-N 2.76Å
35R45Very low57.8Low216 Ų216131.1 Ų131.182%0.81569%0.689SS**  trans-40.2108.5169.7-166.6178.8-173.4159.30.9104.9R33 E37R33-R35 VanDerWaalsContact C-N 3.34Å; R33-R35 PolarHBondContact O-N 3.26Å; R35-E37 PolarHBondContact O-N 2.7Å
36A40.5Very low59.5Low81 Ų81127.9 Ų127.967%0.66967%0.669SS**  trans-52.9119.6176.100000104.7A34 D38A34-A36 VanDerWaalsContact C-N 3.35Å; A34-A36 PolarHBondContact O-N 2.76Å; A36-D38 PolarHBondContact O-N 2.79Å
37E45.3Very low61Low175 Ų175130 Ų13082%0.81866%0.663SS**  trans-57.5114.4-178.6-63.6-178116.900106.6R35 T39R35-E37 PolarHBondContact O-N 2.7Å; E37-T39 PolarHBondContact O-N 3.2Å
38D48.9Very low62.8Low145 Ų145125 Ų12578%0.77563%0.631SS**  trans-70.575.5179-69-51.8000108.5A36 D40A36-D38 PolarHBondContact O-N 2.79Å; D38-D40 VanDerWaalsContact C-N 3.33Å
39T49.3Very low65.1Low129 Ų129113.9 Ų113.979%0.79159%0.589SS**  trans-95.28.6166.256.90000111.9E37 W41E37-T39 PolarHBondContact O-N 3.2Å; T39-W41 PolarHBondContact O-N 2.92Å
40D57.3Low67Low136 Ų136106.1 Ų106.173%0.72755%0.549SS*.  trans-87.6104.6173.7-107-11.8000109.3D38 V42D38-D40 VanDerWaalsContact C-N 3.33Å; D40-V42 PolarHBondContact O-N 3.1Å; D40-V42 VanDerWaalsContact O-N 3.12Å
41W66.2Low68.8Low232 Ų232104.1 Ų104.188%0.87953%0.528SS*.SBendtrans-61.4-14.7172.9-170.2-104.2000112.6T39T39-W41 PolarHBondContact O-N 2.92Å
42V82.6Confident71Confident51 Ų5198.7 Ų98.731%0.30949%0.491SS..SBendtrans-122.8117-1781790000109.2D40 L44 A156 E157D40-V42 PolarHBondContact O-N 3.1Å; D40-V42 VanDerWaalsContact O-N 3.12Å; V42-L44 HydrophobicContact CG1-CD2 4.07Å; V42-A156 HydrophobicContact CG1-CB 4.22Å; V42-E157 HydrophobicContact CG1-CG 4.07Å
43R87.4Confident73.3Confident147 Ų14793.6 Ų93.656%0.55546%0.458SS*.  trans-98.699.8176.8-173.1-168.6172.8-179.5-4.4110.5R120 E157R43-R120 VanDerWaalsContact NE-NH1 3.13Å; R43-R120 PolarHBondContact O-NH2 2.57Å; R43-E157 WeakPolarHBondContact O-CG 3.39Å
44L90.9Very high75.7Confident96 Ų9681.8 Ų81.850%0.50341%0.413SS..PPolyproline II helixtrans-60.4147.3177.5-62.1-178.4000112.4V42 S46 R120 D160V42-L44 HydrophobicContact CG1-CD2 4.07Å; L44-S46 PolarHBondContact O-N 2.99Å; L44-R120 VanDerWaalsContact C-NH2 3.32Å; L44-R120 PolarHBondContact O-NH2 3.02Å; L44-D160 HydrophobicContact CD2-CB 3.93Å
45P92.8Very high78.4Confident6 Ų677.8 Ų77.84%0.03938%0.381CS..PPolyproline II helixtrans-63134.4174.925.2-32.4000110.9V50 F121 D160 L161 Q164P45-V50 HydrophobicContact CB-CG2 3.83Å; P45-V50 HydrophobicContact CG-CG2 4.15Å; P45-F121 HydrophobicContact CB-CE2 4.16Å; P45-F121 HydrophobicContact CB-CZ 3.9Å; P45-D160 WeakPolarHBondContact CD-OD2 3.28Å; P45-D160 HydrophobicContact CG-CB 4.35Å; P45-L161 HydrophobicContact CB-CD1 4.34Å; P45-L161 HydrophobicContact CG-CB 4.09Å; P45-Q164 PolarHBondContact O-NE2 2.97Å; P45-Q164 VanDerWaalsContact O-NE2 3.11Å
46S92.8Very high80.7Confident50 Ų5070.4 Ų70.435%0.3536%0.36SS..PPolyproline II helixtrans-74.2154.8171.464.40000110.9L44 C48 E49 V50L44-S46 PolarHBondContact O-N 2.99Å; S46-C48 PolarHBondContact O-N 3.14Å; S46-E49 PolarHBondContact N-OE2 3.16Å; S46-E49 WeakPolarHBondContact O-CA 3.43Å; S46-E49 WeakPolarHBondContact O-CB 3.39Å; S46-E49 PolarHBondContact O-N 3.06Å; S46-E49 VanDerWaalsContact OG-CG 3.28Å; S46-E49 WeakPolarHBondContact OG-CG 3.16Å; S46-E49 PolarHBondContact OG-N 3.03Å; S46-E49 PolarHBondContact OG-OE2 3.3Å; S46-V50 WeakPolarHBondContact O-CG2 3.37Å; S46-V50 PolarHBondContact O-N 3.39Å
47K92.6Very high83.3Confident122 Ų12266.9 Ų66.953%0.5333%0.329SS..Hα-helixtrans-52.1-33.4174.9-66.3-165.4174.4-154.40113.3C51K47-C51 WeakPolarHBondContact O-CB 3.33Å; K47-C51 PolarHBondContact O-N 2.99Å
48C93.3Very high85.6Confident13 Ų1358.6 Ų58.69%0.08829%0.291CS..Hα-helixtrans-64.9-49.5175.4-162.90000111S46 V50 C51 K52 L198 D202 C205S46-C48 PolarHBondContact O-N 3.14Å; C48-V50 PolarHBondContact O-N 2.74Å; C48-C51 PolarHBondContact O-N 3.11Å; C48-K52 WeakPolarHBondContact O-CB 3.19Å; C48-K52 PolarHBondContact O-N 3.28Å; C48-L198 HydrophobicContact CB-CD1 4.2Å; C48-L198 HydrophobicContact CB-CD2 3.98Å; C48-L198 VanDerWaalsContact SG-CD1 3.58Å; C48-D202 PolarHBondContact SG-O 3.21Å; C48-D202 VanDerWaalsContact SG-O 3.33Å; C48-C205 VanDerWaalsContact CA-SG 3.52Å; C48-C205 HydrophobicContact CB-CB 3.9Å; C48-C205 WeakPolarHBondContact CB-SG 3.38Å; C48-C205 PolarHBondContact O-SG 3.39Å; C48-C205 WeakPolarHBondContact SG-CB 3.49Å; C48-C205 CovalentContact SG-SG 2.01Å; C48-C205 PolarHBondContact SG-SG 3.31Å
49E93.1Very high87.7Confident4 Ų455 Ų552%0.01927%0.268CS..Hα-helixtrans-61.7-44.4177.7-69.8168.2141.600111.6S46 K52 Y53 R120 F121S46-E49 PolarHBondContact N-OE2 3.16Å; S46-E49 WeakPolarHBondContact O-CA 3.43Å; S46-E49 WeakPolarHBondContact O-CB 3.39Å; S46-E49 PolarHBondContact O-N 3.06Å; S46-E49 VanDerWaalsContact OG-CG 3.28Å; S46-E49 WeakPolarHBondContact OG-CG 3.16Å; S46-E49 PolarHBondContact OG-N 3.03Å; S46-E49 PolarHBondContact OG-OE2 3.3Å; E49-K52 WeakPolarHBondContact O-CB 3.35Å; E49-K52 PolarHBondContact O-N 3.24Å; E49-Y53 WeakPolarHBondContact O-CD2 3.36Å; E49-Y53 PolarHBondContact O-N 2.86Å; E49-Y53 VanDerWaalsContact O-N 3.15Å; E49-R120 IonicContact OE1-CZ 3.48Å; E49-R120 IonicContact OE1-NE 2.89Å; E49-R120 IonicContact OE1-NH1 2.89Å; E49-R120 PolarHBondContact OE1-NH1 2.84Å; E49-R120 IonicContact OE2-CZ 3.99Å; E49-R120 IonicContact OE2-NH1 2.64Å; E49-R120 PolarHBondContact OE2-NH1 2.99Å; E49-R120 IonicContact OE2-NH2 2.91Å; E49-R120 PolarHBondContact OE2-NH2 3.31Å; E49-F121 HydrophobicContact CB-CE2 4.45Å
50V94.7Very high89.8Confident1 Ų150.7 Ų50.71%0.00624%0.243CC..Hα-helixtrans-58.4-54176.4-179.20000110.5P45 S46 C48 K52 Y53 V54 L161 Q164 L168P45-V50 HydrophobicContact CB-CG2 3.83Å; P45-V50 HydrophobicContact CG-CG2 4.15Å; S46-V50 WeakPolarHBondContact O-CG2 3.37Å; S46-V50 PolarHBondContact O-N 3.39Å; C48-V50 PolarHBondContact O-N 2.74Å; V50-K52 VanDerWaalsContact C-N 3.27Å; V50-K52 PolarHBondContact O-N 2.93Å; V50-Y53 PolarHBondContact O-N 3.03Å; V50-V54 HydrophobicContact CG1-CG2 4.12Å; V50-V54 VanDerWaalsContact O-CG2 3.3Å; V50-V54 WeakPolarHBondContact O-CG2 3.36Å; V50-V54 PolarHBondContact O-N 2.8Å; V50-L161 HydrophobicContact CB-CD1 4.1Å; V50-L161 HydrophobicContact CG1-CD1 4.2Å; V50-L161 HydrophobicContact CG2-CD1 3.76Å; V50-Q164 HydrophobicContact CB-CB 4.37Å; V50-Q164 HydrophobicContact CG1-CB 3.8Å; V50-Q164 HydrophobicContact CG2-CB 3.77Å; V50-Q164 HydrophobicContact CG2-CG 4.35Å; V50-Q164 VanDerWaalsContact CG2-OE1 3.26Å; V50-L168 HydrophobicContact CG1-CD1 4.16Å
51C95.3Very high91.5Very high0 Ų044.3 Ų44.30%021%0.209CC..Hα-helixtrans-60-40.8-177.7-165.40000112K47 C48 Y53 V54 A55 L168 C193 V197K47-C51 WeakPolarHBondContact O-CB 3.33Å; K47-C51 PolarHBondContact O-N 2.99Å; C48-C51 PolarHBondContact O-N 3.11Å; C51-Y53 PolarHBondContact O-N 3.23Å; C51-V54 PolarHBondContact O-N 2.88Å; C51-A55 WeakPolarHBondContact O-CB 3.11Å; C51-A55 PolarHBondContact O-N 2.95Å; C51-L168 HydrophobicContact CB-CD1 3.93Å; C51-C193 HydrophobicContact CB-CB 3.82Å; C51-C193 WeakPolarHBondContact CB-SG 3.39Å; C51-C193 PolarHBondContact O-SG 2.81Å; C51-C193 WeakPolarHBondContact SG-CA 3.45Å; C51-C193 WeakPolarHBondContact SG-CB 3.41Å; C51-C193 CovalentContact SG-SG 2.03Å; C51-C193 PolarHBondContact SG-SG 3.14Å; C51-V197 HydrophobicContact CB-CB 4.4Å; C51-V197 HydrophobicContact CB-CG1 4.08Å; C51-V197 VanDerWaalsContact SG-CG2 3.59Å
52K94.4Very high92.7Very high15 Ų1533.9 Ų33.97%0.06517%0.17CC..Hα-helixtrans-53.5-53.1175.7-176.7-175-177.6164.60111.7C48 E49 V50 A55 V56 S118 C205 L206 E208C48-K52 WeakPolarHBondContact O-CB 3.19Å; C48-K52 PolarHBondContact O-N 3.28Å; E49-K52 WeakPolarHBondContact O-CB 3.35Å; E49-K52 PolarHBondContact O-N 3.24Å; V50-K52 VanDerWaalsContact C-N 3.27Å; V50-K52 PolarHBondContact O-N 2.93Å; K52-A55 PolarHBondContact O-N 3.39Å; K52-V56 WeakPolarHBondContact O-CB 3.46Å; K52-V56 WeakPolarHBondContact O-CG2 3.21Å; K52-V56 PolarHBondContact O-N 3.15Å; K52-S118 PolarHBondContact NZ-OG 3.4Å; K52-C205 WeakPolarHBondContact CD-O 3.15Å; K52-C205 WeakPolarHBondContact CE-O 3.38Å; K52-C205 PolarHBondContact NZ-O 3.42Å; K52-L206 HydrophobicContact CB-CD2 3.85Å; K52-L206 HydrophobicContact CG-CD2 4.26Å; K52-E208 PolarHBondContact NZ-O 2.96Å
53Y94.1Very high93.1Very high15 Ų1536.9 Ų36.96%0.05918%0.181CC..Hα-helixtrans-72.3-35.2-176.1-74.4-69.3000112.6E49 V50 C51 E57 Y109 S118 F121E49-Y53 WeakPolarHBondContact O-CD2 3.36Å; E49-Y53 PolarHBondContact O-N 2.86Å; E49-Y53 VanDerWaalsContact O-N 3.15Å; V50-Y53 PolarHBondContact O-N 3.03Å; C51-Y53 PolarHBondContact O-N 3.23Å; Y53-E57 WeakPolarHBondContact O-CB 3.43Å; Y53-E57 PolarHBondContact O-N 2.98Å; Y53-Y109 HydrophobicContact CD1-CD1 4.11Å; Y53-Y109 AromaticContact CD1-CE1 3.41Å; Y53-Y109 HydrophobicContact CD1-CE1 3.41Å; Y53-Y109 VanDerWaalsContact CD1-CE1 3.41Å; Y53-Y109 AromaticContact CD1-CZ 3.78Å; Y53-Y109 HydrophobicContact CE1-CD1 4.17Å; Y53-Y109 AromaticContact CE1-CE1 3.55Å; Y53-Y109 HydrophobicContact CE1-CE1 3.55Å; Y53-Y109 HydrophobicContact CG-CE1 4.42Å; Y53-S118 VanDerWaalsContact CE2-O 3.28Å; Y53-S118 WeakPolarHBondContact CE2-O 3.33Å; Y53-S118 PolarHBondContact OH-O 2.83Å; Y53-F121 HydrophobicContact CD2-CB 4.16Å; Y53-F121 HydrophobicContact CD2-CD2 4.14Å; Y53-F121 HydrophobicContact CD2-CG 4.43Å; Y53-F121 HydrophobicContact CE1-CB 4.18Å; Y53-F121 WeakPolarHBondContact CE1-O 3.41Å; Y53-F121 HydrophobicContact CE2-CB 3.64Å; Y53-F121 AromaticContact CE2-CD2 3.67Å; Y53-F121 HydrophobicContact CE2-CD2 3.67Å; Y53-F121 HydrophobicContact CE2-CG 4.06Å; Y53-F121 PolarHBondContact OH-O 2.92Å
54V95.3Very high93.3Very high0 Ų034 Ų340%017%0.173CC..Hα-helixtrans-60-50.6171.9175.80000110.5V50 C51 V56 E57 L58 L106 C165 L168 V169V50-V54 HydrophobicContact CG1-CG2 4.12Å; V50-V54 VanDerWaalsContact O-CG2 3.3Å; V50-V54 WeakPolarHBondContact O-CG2 3.36Å; V50-V54 PolarHBondContact O-N 2.8Å; C51-V54 PolarHBondContact O-N 2.88Å; V54-V56 PolarHBondContact O-N 3.21Å; V54-E57 PolarHBondContact O-N 2.97Å; V54-L58 WeakPolarHBondContact O-CB 3.27Å; V54-L58 PolarHBondContact O-N 3.08Å; V54-L106 HydrophobicContact CG2-CD1 4.01Å; V54-C165 HydrophobicContact CG2-CB 3.8Å; V54-C165 VanDerWaalsContact CG2-SG 3.58Å; V54-L168 HydrophobicContact CG1-CD2 4.12Å; V54-V169 HydrophobicContact CG1-CG2 4.25Å
55A94.6Very high93.1Very high0 Ų030.9 Ų30.90%016%0.159CC..Hα-helixtrans-64.2-41.1-17900000112.6C51 K52 L58 K59 L188 T189C51-A55 WeakPolarHBondContact O-CB 3.11Å; C51-A55 PolarHBondContact O-N 2.95Å; K52-A55 PolarHBondContact O-N 3.39Å; A55-L58 PolarHBondContact O-N 2.99Å; A55-K59 VanDerWaalsContact O-CB 3.27Å; A55-K59 WeakPolarHBondContact O-CB 3.43Å; A55-K59 PolarHBondContact O-N 2.92Å; A55-L188 HydrophobicContact CB-CG 4.43Å; A55-T189 HydrophobicContact CB-CG2 4.18Å
56V93.4Very high92.8Very high61 Ų6132 Ų3237%0.3717%0.172SC..Hα-helixtrans-63.6-46.8177.3167.50000111.4K52 V54 S60K52-V56 WeakPolarHBondContact O-CB 3.46Å; K52-V56 WeakPolarHBondContact O-CG2 3.21Å; K52-V56 PolarHBondContact O-N 3.15Å; V54-V56 PolarHBondContact O-N 3.21Å; V56-S60 PolarHBondContact O-N 3.49Å
57E94.3Very high92.3Very high7 Ų737.2 Ų37.23%0.03319%0.188CC..Hα-helixtrans-67-42.5177.7-78.4-62.2130.300111Y53 V54 K59 S60 A61 I102 R105 L106 Y109 K123Y53-E57 WeakPolarHBondContact O-CB 3.43Å; Y53-E57 PolarHBondContact O-N 2.98Å; V54-E57 PolarHBondContact O-N 2.97Å; E57-K59 VanDerWaalsContact C-N 3.3Å; E57-K59 PolarHBondContact O-N 2.93Å; E57-S60 WeakPolarHBondContact O-CB 3.18Å; E57-S60 PolarHBondContact O-N 2.67Å; E57-S60 VanDerWaalsContact O-N 3.1Å; E57-A61 WeakPolarHBondContact O-CB 2.91Å; E57-A61 PolarHBondContact O-N 3.41Å; E57-I102 VanDerWaalsContact C-CD1 3.47Å; E57-I102 HydrophobicContact CB-CD1 3.57Å; E57-I102 HydrophobicContact CB-CG1 3.98Å; E57-R105 IonicContact OE2-CZ 3.11Å; E57-R105 IonicContact OE2-NE 3.17Å; E57-R105 PolarHBondContact OE2-NE 2.85Å; E57-R105 IonicContact OE2-NH2 3.94Å; E57-R105 PolarHBondContact OE2-NH2 2.79Å; E57-L106 HydrophobicContact CG-CD2 4.04Å; E57-Y109 HydrophobicContact CG-CE2 3.85Å; E57-Y109 PolarHBondContact OE1-OH 3.47Å; E57-K123 VanDerWaalsContact CD-NZ 3.29Å; E57-K123 WeakPolarHBondContact OE1-CE 3.38Å; E57-K123 IonicContact OE1-NZ 3.06Å; E57-K123 PolarHBondContact OE1-NZ 2.94Å; E57-K123 IonicContact OE2-NZ 2.95Å; E57-K123 PolarHBondContact OE2-NZ 2.92Å
58L94.4Very high91.8Very high1 Ų133.7 Ų33.71%0.00518%0.176CC..Hα-helixtrans-62-41.9-177.9-173.554.4000110.4V54 A55 A61 F62 V98 T99 I102 I176 L188V54-L58 WeakPolarHBondContact O-CB 3.27Å; V54-L58 PolarHBondContact O-N 3.08Å; A55-L58 PolarHBondContact O-N 2.99Å; L58-A61 PolarHBondContact O-N 3.31Å; L58-F62 HydrophobicContact CD1-CD2 4.1Å; L58-F62 HydrophobicContact CD1-CE2 3.42Å; L58-F62 VanDerWaalsContact CD1-CE2 3.42Å; L58-F62 HydrophobicContact CD1-CZ 3.74Å; L58-F62 HydrophobicContact CD2-CE2 4.29Å; L58-F62 HydrophobicContact CG-CD2 4.07Å; L58-F62 HydrophobicContact CG-CE2 3.54Å; L58-F62 HydrophobicContact CG-CZ 4.33Å; L58-F62 WeakPolarHBondContact O-CD2 3.3Å; L58-F62 WeakPolarHBondContact O-CG 3.48Å; L58-F62 PolarHBondContact O-N 3.26Å; L58-V98 HydrophobicContact CD1-CG1 3.52Å; L58-T99 HydrophobicContact CD1-CG2 4.49Å; L58-I102 HydrophobicContact CB-CG1 4.23Å; L58-I102 HydrophobicContact CD1-CG1 4.41Å; L58-I176 HydrophobicContact CD2-CD1 4.18Å; L58-I176 HydrophobicContact CD2-CG1 4.27Å; L58-I176 HydrophobicContact CD2-CG2 3.96Å; L58-L188 HydrophobicContact CB-CD2 3.7Å; L58-L188 HydrophobicContact CD2-CD2 3.68Å; L58-L188 HydrophobicContact CG-CD2 3.54Å
59K93.1Very high91Very high70 Ų7042.6 Ų42.630%0.30421%0.214SC..Hα-helixtrans-60.4-47.8171.3-173.4177.2-177.7176.50112.1A55 E57 A61 F62 E63 D187A55-K59 VanDerWaalsContact O-CB 3.27Å; A55-K59 WeakPolarHBondContact O-CB 3.43Å; A55-K59 PolarHBondContact O-N 2.92Å; E57-K59 VanDerWaalsContact C-N 3.3Å; E57-K59 PolarHBondContact O-N 2.93Å; K59-A61 PolarHBondContact O-N 2.91Å; K59-F62 PolarHBondContact O-N 3.13Å; K59-E63 WeakPolarHBondContact CE-OE1 3.46Å; K59-E63 WeakPolarHBondContact O-CG 3.25Å; K59-E63 PolarHBondContact O-N 3.09Å; K59-D187 IonicContact NZ-OD2 3.51Å; K59-D187 PolarHBondContact NZ-OD2 3Å
60S93.3Very high90.4Very high38 Ų3848 Ų4827%0.26624%0.239SC..Hα-helixtrans-60.6-43.6177.5-167.80000112V56 E57 F62 E63 E64V56-S60 PolarHBondContact O-N 3.49Å; E57-S60 WeakPolarHBondContact O-CB 3.18Å; E57-S60 PolarHBondContact O-N 2.67Å; E57-S60 VanDerWaalsContact O-N 3.1Å; S60-F62 PolarHBondContact O-N 2.82Å; S60-E63 PolarHBondContact O-N 3.21Å; S60-E64 WeakPolarHBondContact O-CB 3.39Å; S60-E64 WeakPolarHBondContact O-CG 3.26Å; S60-E64 PolarHBondContact O-N 3.13Å; S60-E64 PolarHBondContact OG-OE1 2.88Å
61A93.2Very high89.7Confident2 Ų252.5 Ų52.52%0.01727%0.266CS..Hα-helixtrans-64.7-40179.800000111.8E57 L58 K59 E64 T65 V98 I102E57-A61 WeakPolarHBondContact O-CB 2.91Å; E57-A61 PolarHBondContact O-N 3.41Å; L58-A61 PolarHBondContact O-N 3.31Å; K59-A61 PolarHBondContact O-N 2.91Å; A61-E64 PolarHBondContact O-N 3.33Å; A61-T65 WeakPolarHBondContact O-CB 3.23Å; A61-T65 WeakPolarHBondContact O-CG2 3.32Å; A61-T65 PolarHBondContact O-N 3.34Å; A61-T65 PolarHBondContact O-OG1 3.35Å; A61-V98 HydrophobicContact CB-CG1 3.59Å; A61-V98 HydrophobicContact CB-CG2 4.49Å; A61-I102 HydrophobicContact CB-CD1 3.94Å
62F92Very high88.9Confident12 Ų1254.9 Ų54.95%0.05328%0.279CS..Hα-helixtrans-65.8-41.8171-70.8-48.8000112L58 K59 S60 E64 T65 G66 R94 L95 V98 W179 Y180L58-F62 HydrophobicContact CD1-CD2 4.1Å; L58-F62 HydrophobicContact CD1-CE2 3.42Å; L58-F62 VanDerWaalsContact CD1-CE2 3.42Å; L58-F62 HydrophobicContact CD1-CZ 3.74Å; L58-F62 HydrophobicContact CD2-CE2 4.29Å; L58-F62 HydrophobicContact CG-CD2 4.07Å; L58-F62 HydrophobicContact CG-CE2 3.54Å; L58-F62 HydrophobicContact CG-CZ 4.33Å; L58-F62 WeakPolarHBondContact O-CD2 3.3Å; L58-F62 WeakPolarHBondContact O-CG 3.48Å; L58-F62 PolarHBondContact O-N 3.26Å; K59-F62 PolarHBondContact O-N 3.13Å; S60-F62 PolarHBondContact O-N 2.82Å; F62-E64 VanDerWaalsContact C-N 3.29Å; F62-E64 PolarHBondContact O-N 2.75Å; F62-T65 WeakPolarHBondContact CA-OG1 3.21Å; F62-T65 PolarHBondContact O-N 2.87Å; F62-T65 PolarHBondContact O-OG1 3.23Å; F62-G66 WeakPolarHBondContact O-CA 3.35Å; F62-G66 PolarHBondContact O-N 2.64Å; F62-R94 VanDerWaalsContact C-NH2 3.34Å; F62-R94 PolarHBondContact O-NH2 3.48Å; F62-L95 HydrophobicContact CE1-CD1 4.02Å; F62-L95 HydrophobicContact CZ-CD1 3.53Å; F62-V98 HydrophobicContact CD1-CB 4.2Å; F62-V98 HydrophobicContact CD1-CG1 3.94Å; F62-V98 HydrophobicContact CD1-CG2 4.02Å; F62-V98 HydrophobicContact CE1-CB 3.72Å; F62-V98 HydrophobicContact CE1-CG1 3.63Å; F62-V98 HydrophobicContact CE1-CG2 3.98Å; F62-V98 HydrophobicContact CE2-CG1 4.39Å; F62-V98 HydrophobicContact CG-CG1 4.42Å; F62-V98 HydrophobicContact CZ-CB 4.29Å; F62-V98 HydrophobicContact CZ-CG1 3.87Å; F62-W179 HydrophobicContact CD2-CH2 4.41Å; F62-W179 AromaticContact CD2-CZ3 3.77Å; F62-W179 HydrophobicContact CD2-CZ3 3.77Å; F62-W179 HydrophobicContact CE2-CE3 4.49Å; F62-W179 AromaticContact CE2-CZ3 3.87Å; F62-W179 HydrophobicContact CE2-CZ3 3.87Å; F62-Y180 HydrophobicContact CD1-CD2 4.14Å; F62-Y180 AromaticContact CD1-CE2 3.81Å; F62-Y180 HydrophobicContact CD1-CE2 3.81Å; F62-Y180 AromaticContact CE1-CD2 3.71Å; F62-Y180 HydrophobicContact CE1-CD2 3.71Å; F62-Y180 AromaticContact CE1-CE2 3.6Å; F62-Y180 HydrophobicContact CE1-CE2 3.6Å; F62-Y180 HydrophobicContact CE2-CD2 4.3Å; F62-Y180 AromaticContact CZ-CD2 3.81Å; F62-Y180 HydrophobicContact CZ-CD2 3.81Å; F62-Y180 HydrophobicContact CZ-CE2 4.2Å
63E91.3Very high87.9Confident115 Ų11558.9 Ų58.954%0.53730%0.301SS..Hα-helixtrans-65.5-31.1176.5-72.8178.9-168.700113.5K59 S60 K67K59-E63 WeakPolarHBondContact CE-OE1 3.46Å; K59-E63 WeakPolarHBondContact O-CG 3.25Å; K59-E63 PolarHBondContact O-N 3.09Å; S60-E63 PolarHBondContact O-N 3.21Å; E63-K67 VanDerWaalsContact O-CE 3.28Å; E63-K67 WeakPolarHBondContact O-CE 3.32Å; E63-K67 PolarHBondContact O-NZ 3.25Å
64E90.5Very high86.8Confident85 Ų8562 Ų6240%0.39732%0.322SS..Hα-helixtrans-69-52.8174.4-73.6160.8-14800111.3S60 A61 F62 G66 R105S60-E64 WeakPolarHBondContact O-CB 3.39Å; S60-E64 WeakPolarHBondContact O-CG 3.26Å; S60-E64 PolarHBondContact O-N 3.13Å; S60-E64 PolarHBondContact OG-OE1 2.88Å; A61-E64 PolarHBondContact O-N 3.33Å; F62-E64 VanDerWaalsContact C-N 3.29Å; F62-E64 PolarHBondContact O-N 2.75Å; E64-G66 VanDerWaalsContact C-N 3.35Å; E64-R105 IonicContact OE1-CZ 3.99Å; E64-R105 IonicContact OE1-NH1 3.41Å; E64-R105 IonicContact OE1-NH2 2.93Å; E64-R105 PolarHBondContact OE1-NH2 3.37Å; E64-R105 IonicContact OE2-CZ 2.94Å; E64-R105 IonicContact OE2-NH1 3.41Å; E64-R105 PolarHBondContact OE2-NH1 2.65Å; E64-R105 IonicContact OE2-NH2 3.31Å; E64-R105 PolarHBondContact OE2-NH2 2.94Å
65T87.7Confident85.3Confident32 Ų3263.9 Ų63.920%0.19634%0.341CS..Hα-helixtrans-73.4-24-178.9550000113.1A61 F62 K67 T68 R94 V98A61-T65 WeakPolarHBondContact O-CB 3.23Å; A61-T65 WeakPolarHBondContact O-CG2 3.32Å; A61-T65 PolarHBondContact O-N 3.34Å; A61-T65 PolarHBondContact O-OG1 3.35Å; F62-T65 WeakPolarHBondContact CA-OG1 3.21Å; F62-T65 PolarHBondContact O-N 2.87Å; F62-T65 PolarHBondContact O-OG1 3.23Å; T65-K67 PolarHBondContact O-N 2.97Å; T65-T68 PolarHBondContact O-N 2.01Å; T65-T68 PolarHBondContact O-OG1 3.11Å; T65-R94 PolarHBondContact OG1-NE 3.03Å; T65-R94 PolarHBondContact OG1-NH2 3.07Å; T65-V98 HydrophobicContact CG2-CG2 3.93Å
66G84.9Confident83.8Confident30 Ų3074.2 Ų74.231%0.30938%0.381SS..THydrogen-bonded Turntrans-71-10.1179.400000114.4F62 E64 T68F62-G66 WeakPolarHBondContact O-CA 3.35Å; F62-G66 PolarHBondContact O-N 2.64Å; E64-G66 VanDerWaalsContact C-N 3.35Å; G66-T68 VanDerWaalsContact C-N 3.34Å
67K83.8Confident82.2Confident158 Ų15873.9 Ų73.969%0.68739%0.39SS*.THydrogen-bonded Turntrans-77.4-20.9177.7-69.2163.2-173.4149.90112.5E63 T65E63-K67 VanDerWaalsContact O-CE 3.28Å; E63-K67 WeakPolarHBondContact O-CE 3.32Å; E63-K67 PolarHBondContact O-NZ 3.25Å; T65-K67 PolarHBondContact O-N 2.97Å
68T80.7Confident80.4Confident48 Ų4880.3 Ų80.329%0.29442%0.423SS..  trans-77.2135.3177.362.40000109.6T65 G66 Y88T65-T68 PolarHBondContact O-N 2.01Å; T65-T68 PolarHBondContact O-OG1 3.11Å; G66-T68 VanDerWaalsContact C-N 3.34Å; T68-Y88 WeakPolarHBondContact OG1-CD1 3.47Å; T68-Y88 WeakPolarHBondContact OG1-CE1 3.48Å
69K77.9Confident78.8Confident201 Ų20187 Ų8787%0.87446%0.458SS*.  trans-10636.8179.9-65.7-175.3179.8-179.50111.2
70E79.3Confident77Confident117 Ų11792.2 Ų92.255%0.54749%0.489SS..  trans-75.4142.1-177.4-67.1174.5-158.800110.1Y88E70-Y88 HydrophobicContact CB-CG 4.48Å; E70-Y88 VanDerWaalsContact O-CB 3.28Å; E70-Y88 WeakPolarHBondContact O-CB 3.49Å; E70-Y88 PolarHBondContact O-N 3.15Å
71V81.1Confident75.4Confident95 Ų95101.3 Ų101.358%0.57652%0.518SS*.EExtended strand (participates in β ladder)trans-117.5118.2176.1-179.20000106.4G85 V86V71-G85 VanDerWaalsContact CG1-CA 3.5Å; V71-V86 CarbonylContact C-O 3.28Å; V71-V86 WeakPolarHBondContact CA-O 3.27Å
72I78.3Confident73.8Confident51 Ų51111.1 Ų111.126%0.26256%0.56SS.*EExtended strand (participates in β ladder)trans-83.2125.9177.4-55.4172.5000107.2T74 G85 V86 Y88 S91 L93I72-T74 PolarHBondContact O-N 3.33Å; I72-G85 CarbonylContact O-C 3.59Å; I72-G85 WeakPolarHBondContact O-CA 3.44Å; I72-V86 PolarHBondContact N-O 3.46Å; I72-V86 PolarHBondContact O-N 2.92Å; I72-Y88 HydrophobicContact CD1-CD2 4.12Å; I72-S91 WeakPolarHBondContact CD1-OG 3.28Å; I72-L93 HydrophobicContact CD1-CB 4.32Å; I72-L93 HydrophobicContact CD1-CD1 4.37Å; I72-L93 HydrophobicContact CD1-CD2 4.49Å
73D72.3Confident72.3Confident99 Ų99112.7 Ų112.753%0.52958%0.575SS.*EExtended strand (participates in β ladder)trans-80116.3168-168.6-6.9000109G75 A83D73-G75 VanDerWaalsContact C-N 3.28Å; D73-G75 PolarHBondContact OD1-N 2.03Å; D73-A83 WeakPolarHBondContact OD1-CB 3.41Å; D73-A83 VanDerWaalsContact OD2-CB 3.26Å; D73-A83 WeakPolarHBondContact OD2-CB 3.02Å
74T71.5Confident71.1Confident81 Ų81110.9 Ų110.950%0.49758%0.575SS.*  trans-87.75.1177.8590000112.8I72 S84 V86I72-T74 PolarHBondContact O-N 3.33Å; T74-S84 PolarHBondContact OG1-O 3.1Å; T74-S84 PolarHBondContact OG1-OG 3.13Å; T74-S84 VanDerWaalsContact OG1-OG 3.13Å; T74-V86 HydrophobicContact CG2-CB 4.19Å; T74-V86 HydrophobicContact CG2-CG2 3.67Å
75G63.6Low70.3Confident39 Ų39109.1 Ų109.140%0.40258%0.58SS.*  trans-91109.9-176.700000114.2D73 G77D73-G75 VanDerWaalsContact C-N 3.28Å; D73-G75 PolarHBondContact OD1-N 2.03Å; G75-G77 VanDerWaalsContact C-N 3.27Å; G75-G77 PolarHBondContact O-N 3.19Å
76Y63.7Low69.9Low217 Ų217110.2 Ų110.285%0.85159%0.587SS**  trans-88.171.2155.3-156-94.6000108.8I78Y76-I78 HydrophobicContact CE1-CD1 4.07Å; Y76-I78 HydrophobicContact CE1-CG1 4.5Å; Y76-I78 PolarHBondContact O-N 2.98Å
77G58.9Low69.9Low54 Ų54115.5 Ų115.556%0.55760%0.601SS**  trans-95.487.1-172.400000112.9G75 L79G75-G77 VanDerWaalsContact C-N 3.27Å; G75-G77 PolarHBondContact O-N 3.19Å; G77-L79 PolarHBondContact O-N 3.25Å
78I57.9Low69.9Low142 Ų142109.1 Ų109.173%0.72857%0.573SS**SBendtrans-68.2-11.2161.2-75.5170.8000111.2Y76Y76-I78 HydrophobicContact CE1-CD1 4.07Å; Y76-I78 HydrophobicContact CE1-CG1 4.5Å; Y76-I78 PolarHBondContact O-N 2.98Å
79L60.6Low70.1Confident142 Ų142108.7 Ų108.774%0.74357%0.57SS**SBendtrans-136.6134.5177.3-59.8172.3000108.9G77 R81G77-L79 PolarHBondContact O-N 3.25Å; L79-R81 PolarHBondContact O-N 2.74Å
80D54.6Low70.4Confident179 Ų179106.4 Ų106.496%0.95756%0.56SS**  trans-46.765.4-175-70.5-56000116.4
81R59.9Low70.8Confident228 Ų228101.3 Ų101.386%0.8654%0.538SS*.  trans-110.8114.7164.1-70.8-162.4172.9-150.6-0.2108.2L79 A83L79-R81 PolarHBondContact O-N 2.74Å; R81-A83 PolarHBondContact O-N 2.86Å
82K59.4Low71.1Confident208 Ų208100.3 Ų100.390%0.90453%0.529SS*.  trans-43.4106.7-177.9-165.2171.9-171.9174.30111.2S84K82-S84 PolarHBondContact O-N 3.13Å; K82-S84 VanDerWaalsContact O-N 3.09Å
83A61.4Low71.7Confident45 Ų45101.8 Ų101.837%0.37254%0.537SS..  trans-35.1109.5162.400000111.5D73 R81 G85D73-A83 WeakPolarHBondContact OD1-CB 3.41Å; D73-A83 VanDerWaalsContact OD2-CB 3.26Å; D73-A83 WeakPolarHBondContact OD2-CB 3.02Å; R81-A83 PolarHBondContact O-N 2.86Å; A83-G85 PolarHBondContact O-N 3.04Å
84S65.8Low72.6Confident77 Ų7797.5 Ų97.554%0.53851%0.514SS..  trans-81.694.4171.654.70000108.2T74 K82 V86T74-S84 PolarHBondContact OG1-O 3.1Å; T74-S84 PolarHBondContact OG1-OG 3.13Å; T74-S84 VanDerWaalsContact OG1-OG 3.13Å; K82-S84 PolarHBondContact O-N 3.13Å; K82-S84 VanDerWaalsContact O-N 3.09Å; S84-V86 PolarHBondContact O-N 2.93Å; S84-V86 VanDerWaalsContact O-N 3.15Å
85G72.2Confident73.6Confident48 Ų4894 Ų9450%0.49549%0.492SS..EExtended strand (participates in β ladder)trans-61.6115.8176.900000111.6V71 I72 A83V71-G85 VanDerWaalsContact CG1-CA 3.5Å; I72-G85 CarbonylContact O-C 3.59Å; I72-G85 WeakPolarHBondContact O-CA 3.44Å; A83-G85 PolarHBondContact O-N 3.04Å
86V81.1Confident75Confident56 Ų5696.3 Ų96.334%0.33949%0.494SS..EExtended strand (participates in β ladder)trans-93.7134174.5179.20000108.7V71 I72 T74 S84 Y88V71-V86 CarbonylContact C-O 3.28Å; V71-V86 WeakPolarHBondContact CA-O 3.27Å; I72-V86 PolarHBondContact N-O 3.46Å; I72-V86 PolarHBondContact O-N 2.92Å; T74-V86 HydrophobicContact CG2-CB 4.19Å; T74-V86 HydrophobicContact CG2-CG2 3.67Å; S84-V86 PolarHBondContact O-N 2.93Å; S84-V86 VanDerWaalsContact O-N 3.15Å; V86-Y88 PolarHBondContact O-N 3.2Å
87K83.9Confident76.3Confident140 Ų14090.1 Ų90.161%0.60947%0.473SS*.EExtended strand (participates in β ladder)trans-68.4131.6176.6-65.9178.1-179.2174.80109.7T89 K90 S91K87-T89 PolarHBondContact O-N 3.5Å; K87-K90 CarbonylContact O-C 3.55Å; K87-K90 PolarHBondContact O-N 3.09Å; K87-S91 PolarHBondContact O-N 3.41Å; K87-S91 VanDerWaalsContact O-N 3.1Å
88Y84.1Confident78Confident24 Ų2487.7 Ų87.79%0.09445%0.447CS..G310 helixtrans-54-37.1174.8174.9-99.1000112.1T68 E70 I72 V86 K90 S91 L93 R94 E97T68-Y88 WeakPolarHBondContact OG1-CD1 3.47Å; T68-Y88 WeakPolarHBondContact OG1-CE1 3.48Å; E70-Y88 HydrophobicContact CB-CG 4.48Å; E70-Y88 VanDerWaalsContact O-CB 3.28Å; E70-Y88 WeakPolarHBondContact O-CB 3.49Å; E70-Y88 PolarHBondContact O-N 3.15Å; I72-Y88 HydrophobicContact CD1-CD2 4.12Å; V86-Y88 PolarHBondContact O-N 3.2Å; Y88-K90 PolarHBondContact O-N 3.43Å; Y88-S91 PolarHBondContact O-N 3.38Å; Y88-S91 VanDerWaalsContact O-N 3.13Å; Y88-S91 PolarHBondContact O-OG 3.45Å; Y88-L93 HydrophobicContact CD2-CD2 4.16Å; Y88-L93 HydrophobicContact CE2-CD2 3.67Å; Y88-R94 HydrophobicContact CD1-CB 4.44Å; Y88-R94 HydrophobicContact CD1-CG 4.48Å; Y88-R94 HydrophobicContact CD2-CB 4.27Å; Y88-R94 HydrophobicContact CE1-CB 4.05Å; Y88-R94 HydrophobicContact CE1-CG 3.86Å; Y88-R94 HydrophobicContact CE2-CB 3.85Å; Y88-R94 HydrophobicContact CE2-CG 4.47Å; Y88-R94 WeakPolarHBondContact O-CB 3.05Å; Y88-R94 WeakPolarHBondContact O-CD 3.06Å; Y88-E97 PolarHBondContact OH-OE2 2.78Å
89T85.1Confident79.7Confident40 Ų4082.1 Ų82.125%0.24542%0.42CS..G310 helixtrans-60.4-19.9176.7-36.20000114K87 R94 Y180K87-T89 PolarHBondContact O-N 3.5Å; T89-R94 PolarHBondContact O-NH1 3.36Å; T89-Y180 PolarHBondContact O-OH 3.05Å
90K83.5Confident81.2Confident152 Ų15282 Ų8266%0.66142%0.415SS*.G310 helixtrans-118.65178.7-64.9-163.2172.6-158.90112.7K87 Y88K87-K90 CarbonylContact O-C 3.55Å; K87-K90 PolarHBondContact O-N 3.09Å; Y88-K90 PolarHBondContact O-N 3.43Å
91S87.3Confident83.1Confident10 Ų1076.4 Ų76.47%0.0739%0.388CS..  trans-80147.7179.664.70000110.4I72 K87 Y88 L93 R94 Y180I72-S91 WeakPolarHBondContact CD1-OG 3.28Å; K87-S91 PolarHBondContact O-N 3.41Å; K87-S91 VanDerWaalsContact O-N 3.1Å; Y88-S91 PolarHBondContact O-N 3.38Å; Y88-S91 VanDerWaalsContact O-N 3.13Å; Y88-S91 PolarHBondContact O-OG 3.45Å; S91-L93 PolarHBondContact O-N 2.93Å; S91-R94 PolarHBondContact O-N 3.07Å; S91-R94 PolarHBondContact OG-N 3.34Å; S91-Y180 PolarHBondContact O-OH 3.22Å
92D88.4Confident84.7Confident74 Ų7465.6 Ų65.640%0.39635%0.347SS..Hα-helixtrans-66.1-25.7171.3-63.2-25.6000111.3R94 L95 I96 R181D92-R94 VanDerWaalsContact C-N 3.32Å; D92-R94 PolarHBondContact O-N 3.28Å; D92-L95 WeakPolarHBondContact O-CB 2.94Å; D92-L95 PolarHBondContact O-N 3.46Å; D92-L95 VanDerWaalsContact O-N 3.09Å; D92-I96 WeakPolarHBondContact O-CG1 3.41Å; D92-I96 PolarHBondContact O-N 2.93Å; D92-R181 IonicContact OD1-CZ 3.55Å; D92-R181 IonicContact OD1-NE 3.78Å; D92-R181 PolarHBondContact OD1-NE 2.95Å; D92-R181 IonicContact OD1-NH2 2.78Å; D92-R181 PolarHBondContact OD1-NH2 2.62Å; D92-R181 IonicContact OD2-CZ 3.72Å; D92-R181 IonicContact OD2-NH2 3.26Å; D92-R181 PolarHBondContact OD2-NH2 3.44Å
93L89.7Confident86.4Confident82 Ų8255.9 Ų55.943%0.42931%0.306SS..Hα-helixtrans-56.5-45173.9-176.6152.1000111.8I72 Y88 S91 L95 I96 E97I72-L93 HydrophobicContact CD1-CB 4.32Å; I72-L93 HydrophobicContact CD1-CD1 4.37Å; I72-L93 HydrophobicContact CD1-CD2 4.49Å; Y88-L93 HydrophobicContact CD2-CD2 4.16Å; Y88-L93 HydrophobicContact CE2-CD2 3.67Å; S91-L93 PolarHBondContact O-N 2.93Å; L93-L95 VanDerWaalsContact C-N 3.3Å; L93-L95 PolarHBondContact O-N 2.89Å; L93-I96 PolarHBondContact O-N 3.2Å; L93-E97 HydrophobicContact CD2-CG 4.34Å; L93-E97 WeakPolarHBondContact CD2-OE1 3.04Å; L93-E97 WeakPolarHBondContact O-CG 3.12Å; L93-E97 PolarHBondContact O-N 2.76Å; L93-E97 VanDerWaalsContact O-N 3.13Å
94R91.7Very high88Confident10 Ų1060.3 Ų60.34%0.03832%0.316CS..Hα-helixtrans-65-35.5176.7173.4177.5168.6-127.62.6112F62 T65 Y88 T89 S91 D92 V98 Y180F62-R94 VanDerWaalsContact C-NH2 3.34Å; F62-R94 PolarHBondContact O-NH2 3.48Å; T65-R94 PolarHBondContact OG1-NE 3.03Å; T65-R94 PolarHBondContact OG1-NH2 3.07Å; Y88-R94 HydrophobicContact CD1-CB 4.44Å; Y88-R94 HydrophobicContact CD1-CG 4.48Å; Y88-R94 HydrophobicContact CD2-CB 4.27Å; Y88-R94 HydrophobicContact CE1-CB 4.05Å; Y88-R94 HydrophobicContact CE1-CG 3.86Å; Y88-R94 HydrophobicContact CE2-CB 3.85Å; Y88-R94 HydrophobicContact CE2-CG 4.47Å; Y88-R94 WeakPolarHBondContact O-CB 3.05Å; Y88-R94 WeakPolarHBondContact O-CD 3.06Å; T89-R94 PolarHBondContact O-NH1 3.36Å; S91-R94 PolarHBondContact O-N 3.07Å; S91-R94 PolarHBondContact OG-N 3.34Å; D92-R94 VanDerWaalsContact C-N 3.32Å; D92-R94 PolarHBondContact O-N 3.28Å; R94-V98 HydrophobicContact CG-CG2 4.47Å; R94-V98 WeakPolarHBondContact O-CB 3.5Å; R94-V98 VanDerWaalsContact O-CG2 3.28Å; R94-V98 WeakPolarHBondContact O-CG2 3.36Å; R94-V98 PolarHBondContact O-N 2.58Å; R94-V98 VanDerWaalsContact O-N 3.16Å; R94-Y180 WeakPolarHBondContact CD-OH 3.45Å; R94-Y180 PolarHBondContact NH1-OH 2.8Å
95L92.9Very high89.3Confident8 Ų859 Ų594%0.04230%0.3CS..Hα-helixtrans-62.1-50.9178.6-177.859.3000110.3F62 D92 L93 E97 V98 T99 I176 E177 Y180F62-L95 HydrophobicContact CE1-CD1 4.02Å; F62-L95 HydrophobicContact CZ-CD1 3.53Å; D92-L95 WeakPolarHBondContact O-CB 2.94Å; D92-L95 PolarHBondContact O-N 3.46Å; D92-L95 VanDerWaalsContact O-N 3.09Å; L93-L95 VanDerWaalsContact C-N 3.3Å; L93-L95 PolarHBondContact O-N 2.89Å; L95-E97 PolarHBondContact O-N 3.07Å; L95-V98 PolarHBondContact O-N 2.7Å; L95-T99 HydrophobicContact CD1-CG2 3.95Å; L95-T99 HydrophobicContact CG-CG2 4.39Å; L95-T99 WeakPolarHBondContact O-CG2 3.37Å; L95-T99 PolarHBondContact O-N 3.4Å; L95-T99 PolarHBondContact O-OG1 3.5Å; L95-I176 HydrophobicContact CD1-CG2 4.15Å; L95-E177 HydrophobicContact CD2-CB 4.29Å; L95-E177 HydrophobicContact CD2-CG 3.67Å; L95-Y180 HydrophobicContact CB-CD1 4.09Å; L95-Y180 HydrophobicContact CB-CE1 4Å; L95-Y180 HydrophobicContact CD1-CD1 4.12Å; L95-Y180 HydrophobicContact CD1-CD2 4.14Å; L95-Y180 HydrophobicContact CD1-CG 3.81Å; L95-Y180 HydrophobicContact CD2-CD1 3.98Å; L95-Y180 HydrophobicContact CD2-CG 4.34Å; L95-Y180 HydrophobicContact CG-CD1 4.31Å; L95-Y180 HydrophobicContact CG-CG 4.48Å
96I93.1Very high90.2Very high87 Ų8756.7 Ų56.745%0.44628%0.276SS..Hα-helixtrans-59-48.3179.5-64164.3000111.2D92 L93 V98 T99 E100D92-I96 WeakPolarHBondContact O-CG1 3.41Å; D92-I96 PolarHBondContact O-N 2.93Å; L93-I96 PolarHBondContact O-N 3.2Å; I96-V98 VanDerWaalsContact C-N 3.25Å; I96-V98 PolarHBondContact O-N 3.17Å; I96-T99 PolarHBondContact O-N 2.8Å; I96-T99 PolarHBondContact O-OG1 3.49Å; I96-E100 HydrophobicContact CG2-CG 4.24Å; I96-E100 WeakPolarHBondContact CG2-OE1 3.45Å; I96-E100 WeakPolarHBondContact O-CB 3.32Å; I96-E100 WeakPolarHBondContact O-CG 3.36Å; I96-E100 PolarHBondContact O-N 2.86Å
97E91.7Very high90.7Very high87 Ų8757.1 Ų57.141%0.40728%0.276SS..Hα-helixtrans-57.6-40.2178.8-73.1175.6166.800112.4Y88 L93 L95 T101Y88-E97 PolarHBondContact OH-OE2 2.78Å; L93-E97 HydrophobicContact CD2-CG 4.34Å; L93-E97 WeakPolarHBondContact CD2-OE1 3.04Å; L93-E97 WeakPolarHBondContact O-CG 3.12Å; L93-E97 PolarHBondContact O-N 2.76Å; L93-E97 VanDerWaalsContact O-N 3.13Å; L95-E97 PolarHBondContact O-N 3.07Å; E97-T101 WeakPolarHBondContact O-CB 3.44Å; E97-T101 WeakPolarHBondContact O-CG2 3.37Å; E97-T101 PolarHBondContact O-N 3.19Å; E97-T101 PolarHBondContact O-OG1 3.45Å
98V94.1Very high90.9Very high3 Ų355.4 Ų55.42%0.01827%0.274CS..Hα-helixtrans-75.5-46.1-178.8170.70000111.2L58 A61 F62 T65 R94 L95 I96 E100 T101 I102L58-V98 HydrophobicContact CD1-CG1 3.52Å; A61-V98 HydrophobicContact CB-CG1 3.59Å; A61-V98 HydrophobicContact CB-CG2 4.49Å; F62-V98 HydrophobicContact CD1-CB 4.2Å; F62-V98 HydrophobicContact CD1-CG1 3.94Å; F62-V98 HydrophobicContact CD1-CG2 4.02Å; F62-V98 HydrophobicContact CE1-CB 3.72Å; F62-V98 HydrophobicContact CE1-CG1 3.63Å; F62-V98 HydrophobicContact CE1-CG2 3.98Å; F62-V98 HydrophobicContact CE2-CG1 4.39Å; F62-V98 HydrophobicContact CG-CG1 4.42Å; F62-V98 HydrophobicContact CZ-CB 4.29Å; F62-V98 HydrophobicContact CZ-CG1 3.87Å; T65-V98 HydrophobicContact CG2-CG2 3.93Å; R94-V98 HydrophobicContact CG-CG2 4.47Å; R94-V98 WeakPolarHBondContact O-CB 3.5Å; R94-V98 VanDerWaalsContact O-CG2 3.28Å; R94-V98 WeakPolarHBondContact O-CG2 3.36Å; R94-V98 PolarHBondContact O-N 2.58Å; R94-V98 VanDerWaalsContact O-N 3.16Å; L95-V98 PolarHBondContact O-N 2.7Å; I96-V98 VanDerWaalsContact C-N 3.25Å; I96-V98 PolarHBondContact O-N 3.17Å; V98-E100 PolarHBondContact O-N 2.81Å; V98-T101 PolarHBondContact O-N 2.75Å; V98-T101 PolarHBondContact O-OG1 3.04Å; V98-I102 WeakPolarHBondContact O-CB 3.44Å; V98-I102 PolarHBondContact O-N 3.45Å; V98-I102 VanDerWaalsContact O-N 3.16Å
99T93.6Very high91.2Very high24 Ų2455 Ų5515%0.14727%0.272CS..Hα-helixtrans-66.6-37.9-177.451.20000112.1L58 L95 I96 T101 I102 I176L58-T99 HydrophobicContact CD1-CG2 4.49Å; L95-T99 HydrophobicContact CD1-CG2 3.95Å; L95-T99 HydrophobicContact CG-CG2 4.39Å; L95-T99 WeakPolarHBondContact O-CG2 3.37Å; L95-T99 PolarHBondContact O-N 3.4Å; L95-T99 PolarHBondContact O-OG1 3.5Å; I96-T99 PolarHBondContact O-N 2.8Å; I96-T99 PolarHBondContact O-OG1 3.49Å; T99-T101 VanDerWaalsContact C-N 3.33Å; T99-T101 PolarHBondContact O-N 3.1Å; T99-I102 WeakPolarHBondContact O-CG2 3.34Å; T99-I176 HydrophobicContact CG2-CG2 4.03Å
100E92.1Very high91.4Very high139 Ų13955.3 Ų55.365%0.6528%0.275SS*.Hα-helixtrans-72.1-25.3178-69.9-176.4172.100113.7I96 V98I96-E100 HydrophobicContact CG2-CG 4.24Å; I96-E100 WeakPolarHBondContact CG2-OE1 3.45Å; I96-E100 WeakPolarHBondContact O-CB 3.32Å; I96-E100 WeakPolarHBondContact O-CG 3.36Å; I96-E100 PolarHBondContact O-N 2.86Å; V98-E100 PolarHBondContact O-N 2.81Å
101T93.6Very high91.7Very high63 Ų6349.2 Ų49.239%0.38725%0.25SC..Hα-helixtrans-92.4-14.7-178.557.50000113.2E97 V98 T99 C103 K104 R105E97-T101 WeakPolarHBondContact O-CB 3.44Å; E97-T101 WeakPolarHBondContact O-CG2 3.37Å; E97-T101 PolarHBondContact O-N 3.19Å; E97-T101 PolarHBondContact O-OG1 3.45Å; V98-T101 PolarHBondContact O-N 2.75Å; V98-T101 PolarHBondContact O-OG1 3.04Å; T99-T101 VanDerWaalsContact C-N 3.33Å; T99-T101 PolarHBondContact O-N 3.1Å; T101-C103 PolarHBondContact O-N 3.24Å; T101-K104 WeakPolarHBondContact O-CB 3.37Å; T101-K104 PolarHBondContact O-N 3.35Å; T101-R105 PolarHBondContact O-N 2.92Å
102I94.9Very high91.8Very high0 Ų049 Ų490%025%0.248CC..Hα-helixtrans-67.7-43.3-167.9-154.158.1000113.7E57 L58 A61 V98 T99 K104 R105 L106 V169E57-I102 VanDerWaalsContact C-CD1 3.47Å; E57-I102 HydrophobicContact CB-CD1 3.57Å; E57-I102 HydrophobicContact CB-CG1 3.98Å; L58-I102 HydrophobicContact CB-CG1 4.23Å; L58-I102 HydrophobicContact CD1-CG1 4.41Å; A61-I102 HydrophobicContact CB-CD1 3.94Å; V98-I102 WeakPolarHBondContact O-CB 3.44Å; V98-I102 PolarHBondContact O-N 3.45Å; V98-I102 VanDerWaalsContact O-N 3.16Å; T99-I102 WeakPolarHBondContact O-CG2 3.34Å; I102-K104 PolarHBondContact O-N 3.01Å; I102-R105 WeakPolarHBondContact O-CB 3.42Å; I102-R105 PolarHBondContact O-N 3.37Å; I102-R105 VanDerWaalsContact O-N 3.1Å; I102-L106 PolarHBondContact O-N 3.44Å; I102-V169 HydrophobicContact CG2-CG2 3.92Å
103C95.1Very high91.7Very high5 Ų552.5 Ų52.53%0.03426%0.259CS..Hα-helixtrans-71.7-18.8-178.7-58.50000112.5T101 C165 D166T101-C103 PolarHBondContact O-N 3.24Å; C103-C165 WeakPolarHBondContact CA-SG 3.18Å; C103-C165 HydrophobicContact CB-CB 3.79Å; C103-C165 WeakPolarHBondContact CB-SG 3.43Å; C103-C165 WeakPolarHBondContact SG-CB 3.07Å; C103-C165 PolarHBondContact SG-O 3.2Å; C103-C165 CovalentContact SG-SG 2.04Å; C103-C165 PolarHBondContact SG-SG 3.41Å; C103-D166 WeakPolarHBondContact CB-OD1 3.47Å; C103-D166 PolarHBondContact SG-N 3.37Å; C103-D166 VanDerWaalsContact SG-N 3.38Å; C103-D166 PolarHBondContact SG-OD1 2.94Å
104K94Very high91.3Very high138 Ų13851.4 Ų51.460%0.625%0.252SS*.Hα-helixtrans-73.2-39.4170.5-65.2173.4-176.5162.30111T101 I102 L106 L107T101-K104 WeakPolarHBondContact O-CB 3.37Å; T101-K104 PolarHBondContact O-N 3.35Å; I102-K104 PolarHBondContact O-N 3.01Å; K104-L106 PolarHBondContact O-N 3.38Å; K104-L107 WeakPolarHBondContact O-CB 3.31Å; K104-L107 PolarHBondContact O-N 2.95Å
105R92.8Very high91.1Very high49 Ų4952.1 Ų52.119%0.18526%0.255CS..Hα-helixtrans-62.9-22.6176.7-66.4170.758137.15.6113.1E57 E64 T101 I102 L107 D108E57-R105 IonicContact OE2-CZ 3.11Å; E57-R105 IonicContact OE2-NE 3.17Å; E57-R105 PolarHBondContact OE2-NE 2.85Å; E57-R105 IonicContact OE2-NH2 3.94Å; E57-R105 PolarHBondContact OE2-NH2 2.79Å; E64-R105 IonicContact OE1-CZ 3.99Å; E64-R105 IonicContact OE1-NH1 3.41Å; E64-R105 IonicContact OE1-NH2 2.93Å; E64-R105 PolarHBondContact OE1-NH2 3.37Å; E64-R105 IonicContact OE2-CZ 2.94Å; E64-R105 IonicContact OE2-NH1 3.41Å; E64-R105 PolarHBondContact OE2-NH1 2.65Å; E64-R105 IonicContact OE2-NH2 3.31Å; E64-R105 PolarHBondContact OE2-NH2 2.94Å; T101-R105 PolarHBondContact O-N 2.92Å; I102-R105 WeakPolarHBondContact O-CB 3.42Å; I102-R105 PolarHBondContact O-N 3.37Å; I102-R105 VanDerWaalsContact O-N 3.1Å; R105-L107 PolarHBondContact O-N 2.79Å; R105-D108 WeakPolarHBondContact O-CB 3.41Å; R105-D108 PolarHBondContact O-N 3.42Å
106L91.8Very high90.7Very high0 Ų057.6 Ų57.60%029%0.289CS..G310 helixtrans-69.3-19174.3-70.3175.8000113.5V54 E57 I102 K104 D108 Y109 L161 C165V54-L106 HydrophobicContact CG2-CD1 4.01Å; E57-L106 HydrophobicContact CG-CD2 4.04Å; I102-L106 PolarHBondContact O-N 3.44Å; K104-L106 PolarHBondContact O-N 3.38Å; L106-D108 PolarHBondContact O-N 3.17Å; L106-Y109 HydrophobicContact CD2-CD2 4.12Å; L106-Y109 HydrophobicContact CD2-CE2 3.96Å; L106-Y109 WeakPolarHBondContact O-CB 3.46Å; L106-Y109 PolarHBondContact O-N 3.15Å; L106-L161 HydrophobicContact CD1-CG 4.4Å; L106-L161 HydrophobicContact CD2-CD2 4.5Å; L106-C165 HydrophobicContact CD1-CB 3.37Å; L106-C165 WeakPolarHBondContact CD1-SG 3.4Å
107L90.6Very high90.5Very high65 Ų6554.5 Ų54.534%0.3428%0.278SS..G310 helixtrans-69.6-19.9174.9-64.7172.1000112.8K104 R105 Y109 T154 K162K104-L107 WeakPolarHBondContact O-CB 3.31Å; K104-L107 PolarHBondContact O-N 2.95Å; R105-L107 PolarHBondContact O-N 2.79Å; L107-Y109 PolarHBondContact O-N 2.98Å; L107-T154 HydrophobicContact CB-CG2 4.34Å; L107-T154 HydrophobicContact CD2-CG2 3.91Å; L107-K162 HydrophobicContact CD1-CD 3.81Å; L107-K162 HydrophobicContact CD2-CB 4.03Å; L107-K162 HydrophobicContact CD2-CD 3.73Å; L107-K162 HydrophobicContact CD2-CG 4.45Å; L107-K162 HydrophobicContact CG-CD 3.77Å
108D89.8Confident90.2Very high104 Ų10450.4 Ų50.456%0.55626%0.259SS*.G310 helixtrans-72.6-8.5175.2-61.9-29000112.6R105 L106R105-D108 WeakPolarHBondContact O-CB 3.41Å; R105-D108 PolarHBondContact O-N 3.42Å; L106-D108 PolarHBondContact O-N 3.17Å
109Y90.1Very high90Very high16 Ų1651.4 Ų51.46%0.06327%0.265CS..EExtended strand (participates in β ladder)trans-82.1139175.6-74.9-102.8000110.7Y53 E57 L106 L107 F121 K123 V158Y53-Y109 HydrophobicContact CD1-CD1 4.11Å; Y53-Y109 AromaticContact CD1-CE1 3.41Å; Y53-Y109 HydrophobicContact CD1-CE1 3.41Å; Y53-Y109 VanDerWaalsContact CD1-CE1 3.41Å; Y53-Y109 AromaticContact CD1-CZ 3.78Å; Y53-Y109 HydrophobicContact CE1-CD1 4.17Å; Y53-Y109 AromaticContact CE1-CE1 3.55Å; Y53-Y109 HydrophobicContact CE1-CE1 3.55Å; Y53-Y109 HydrophobicContact CG-CE1 4.42Å; E57-Y109 HydrophobicContact CG-CE2 3.85Å; E57-Y109 PolarHBondContact OE1-OH 3.47Å; L106-Y109 HydrophobicContact CD2-CD2 4.12Å; L106-Y109 HydrophobicContact CD2-CE2 3.96Å; L106-Y109 WeakPolarHBondContact O-CB 3.46Å; L106-Y109 PolarHBondContact O-N 3.15Å; L107-Y109 PolarHBondContact O-N 2.98Å; Y109-F121 HydrophobicContact CD1-CB 4.01Å; Y109-K123 HydrophobicContact CD1-CG 4.34Å; Y109-K123 HydrophobicContact CD2-CG 4.23Å; Y109-K123 HydrophobicContact CE1-CG 4.23Å; Y109-K123 HydrophobicContact CE2-CD 4.42Å; Y109-K123 HydrophobicContact CE2-CG 4.14Å; Y109-K123 HydrophobicContact CG-CG 4.36Å; Y109-V158 WeakPolarHBondContact O-CG1 3.47Å; Y109-V158 WeakPolarHBondContact O-CG2 3.3Å
110S88.8Confident89.8Confident45 Ų4550.8 Ų50.832%0.31526%0.26SS..EExtended strand (participates in β ladder)trans-112.6157.1172.5-65.40000110.6H112 F121 A122 G124S110-H112 PolarHBondContact O-CD2 3.28Å; S110-F121 WeakPolarHBondContact O-CA 3.22Å; S110-A122 PolarHBondContact N-O 3.5Å; S110-A122 PolarHBondContact O-N 3.49Å; S110-A122 VanDerWaalsContact O-N 3.1Å; S110-G124 WeakPolarHBondContact CB-O 3.21Å; S110-G124 PolarHBondContact OG-O 3.4Å
111L88.9Confident89.8Confident24 Ų2444.3 Ų44.313%0.12623%0.229CC..EExtended strand (participates in β ladder)trans-86.8120.3176.2-169.478000110.6K113 R120 F121 S126 E157L111-K113 HydrophobicContact CD2-CG 3.94Å; L111-K113 HydrophobicContact CG-CG 4.36Å; L111-R120 CarbonylContact C-O 3.56Å; L111-R120 HydrophobicContact CD1-CB 4.47Å; L111-R120 HydrophobicContact CD1-CG 4.02Å; L111-F121 HydrophobicContact CD1-CD1 4.24Å; L111-F121 HydrophobicContact CD1-CE1 3.86Å; L111-F121 HydrophobicContact CD1-CZ 4.22Å; L111-S126 WeakPolarHBondContact O-CB 3.43Å; L111-E157 HydrophobicContact CD1-CB 4.26Å; L111-E157 HydrophobicContact CD2-CG 4.2Å
112H89.6Confident89.6Confident5 Ų542.1 Ų42.12%0.02322%0.218CC..  trans-100.590.2174.2-69.1-101.4000109.3S110 E114 R115 R120 M125S110-H112 PolarHBondContact O-CD2 3.28Å; H112-E114 VanDerWaalsContact CA-OE2 3.26Å; H112-E114 WeakPolarHBondContact CA-OE2 3.31Å; H112-E114 WeakPolarHBondContact CB-OE1 3.35Å; H112-E114 IonicContact CE1-OE1 3.98Å; H112-E114 IonicContact CG-OE1 3.44Å; H112-E114 IonicContact ND1-OE1 2.81Å; H112-E114 PolarHBondContact ND1-OE1 2.95Å; H112-E114 PolarHBondContact O-N 3.36Å; H112-R115 HydrophobicContact CB-CB 4.08Å; H112-R115 HydrophobicContact CB-CG 3.86Å; H112-R115 PolarHBondContact O-N 3.45Å; H112-R115 VanDerWaalsContact O-N 3.08Å; H112-R120 WeakPolarHBondContact CB-O 3.28Å; H112-R120 PolarHBondContact N-O 3.4Å; H112-M125 PolarHBondContact CE1-O 3.05Å
113K86.4Confident89.3Confident148 Ų14846.2 Ų46.264%0.64324%0.236SC*.THydrogen-bonded Turntrans-63.6-23.2-178.7-66.4-173.6178.4-173.10112.6L111 R115L111-K113 HydrophobicContact CD2-CG 3.94Å; L111-K113 HydrophobicContact CG-CG 4.36Å; K113-R115 VanDerWaalsContact C-N 3.31Å
114E82.7Confident88.9Confident59 Ų5948 Ų4828%0.27626%0.255SS..THydrogen-bonded Turntrans-72.8-20.917672.9-76.9-175.100113.6H112 E127H112-E114 VanDerWaalsContact CA-OE2 3.26Å; H112-E114 WeakPolarHBondContact CA-OE2 3.31Å; H112-E114 WeakPolarHBondContact CB-OE1 3.35Å; H112-E114 IonicContact CE1-OE1 3.98Å; H112-E114 IonicContact CG-OE1 3.44Å; H112-E114 IonicContact ND1-OE1 2.81Å; H112-E114 PolarHBondContact ND1-OE1 2.95Å; H112-E114 PolarHBondContact O-N 3.36Å; E114-E127 HydrophobicContact CG-CB 4.14Å; E114-E127 HydrophobicContact CG-CG 4.2Å; E114-E127 WeakPolarHBondContact OE1-CG 3.48Å; E114-E127 PolarHBondContact OE1-N 2.86Å
115R87.6Confident88.3Confident25 Ų2545.7 Ų45.79%0.09425%0.247CC..SBendtrans-95138-177.9-63.3-176.5-176.6172.2-0.8110.8H112 K113 N119 A122 W210 D216H112-R115 HydrophobicContact CB-CB 4.08Å; H112-R115 HydrophobicContact CB-CG 3.86Å; H112-R115 PolarHBondContact O-N 3.45Å; H112-R115 VanDerWaalsContact O-N 3.08Å; K113-R115 VanDerWaalsContact C-N 3.31Å; R115-N119 VanDerWaalsContact CD-O 3.27Å; R115-N119 WeakPolarHBondContact CD-O 3.4Å; R115-A122 VanDerWaalsContact NH1-CB 3.27Å; R115-W210 HydrophobicContact CB-CZ3 4.42Å; R115-W210 HydrophobicContact CG-CH2 3.77Å; R115-W210 HydrophobicContact CG-CZ2 4.36Å; R115-W210 HydrophobicContact CG-CZ3 3.85Å; R115-W210 VanDerWaalsContact NE-CZ2 3.3Å; R115-D216 IonicContact NH2-OD2 2.76Å; R115-D216 PolarHBondContact NH2-OD2 3.19Å; R115-D216 VanDerWaalsContact NH2-OD2 3.11Å
116T84.6Confident87.9Confident123 Ų12344 Ų4476%0.75524%0.242SC*.  trans-93.1151-179.856.70000112.1
117G86.9Confident87.6Confident22 Ų2247.5 Ų47.523%0.22726%0.259CS..G310 helixtrans73.2-146.7175.600000112.4N119G117-N119 VanDerWaalsContact C-N 3.3Å; G117-N119 PolarHBondContact O-N 2.95Å
118S86.6Confident87.2Confident1 Ų148.2 Ų48.21%0.00727%0.266CS..G310 helixtrans-72-22.8-177.165.20000113.4K52 Y53 R120 C205 E208K52-S118 PolarHBondContact NZ-OG 3.4Å; Y53-S118 VanDerWaalsContact CE2-O 3.28Å; Y53-S118 WeakPolarHBondContact CE2-O 3.33Å; Y53-S118 PolarHBondContact OH-O 2.83Å; S118-R120 PolarHBondContact O-N 2.94Å; S118-C205 PolarHBondContact OG-O 2.75Å; S118-E208 VanDerWaalsContact CB-OE2 3.31Å; S118-E208 WeakPolarHBondContact CB-OE2 3.43Å; S118-E208 PolarHBondContact N-OE2 3.15Å; S118-E208 PolarHBondContact OG-OE2 3Å
119N88.9Confident86.8Confident24 Ų2444.8 Ų44.813%0.12825%0.246CC..G310 helixtrans-71.84.8179.8-61.8-48.7000113.9R115 G117 F121 W210R115-N119 VanDerWaalsContact CD-O 3.27Å; R115-N119 WeakPolarHBondContact CD-O 3.4Å; G117-N119 VanDerWaalsContact C-N 3.3Å; G117-N119 PolarHBondContact O-N 2.95Å; N119-F121 PolarHBondContact O-N 3.46Å; N119-W210 HydrophobicContact CB-CB 4.4Å; N119-W210 HydrophobicContact CB-CE3 4.15Å
120R90.5Very high86.6Confident12 Ų1249.1 Ų49.15%0.04527%0.267CS..G310 helixtrans-68.5-15.9174.976.9-178-161-126.812.3113.8R43 L44 E49 L111 H112 S118R43-R120 VanDerWaalsContact NE-NH1 3.13Å; R43-R120 PolarHBondContact O-NH2 2.57Å; L44-R120 VanDerWaalsContact C-NH2 3.32Å; L44-R120 PolarHBondContact O-NH2 3.02Å; E49-R120 IonicContact OE1-CZ 3.48Å; E49-R120 IonicContact OE1-NE 2.89Å; E49-R120 IonicContact OE1-NH1 2.89Å; E49-R120 PolarHBondContact OE1-NH1 2.84Å; E49-R120 IonicContact OE2-CZ 3.99Å; E49-R120 IonicContact OE2-NH1 2.64Å; E49-R120 PolarHBondContact OE2-NH1 2.99Å; E49-R120 IonicContact OE2-NH2 2.91Å; E49-R120 PolarHBondContact OE2-NH2 3.31Å; L111-R120 CarbonylContact C-O 3.56Å; L111-R120 HydrophobicContact CD1-CB 4.47Å; L111-R120 HydrophobicContact CD1-CG 4.02Å; H112-R120 WeakPolarHBondContact CB-O 3.28Å; H112-R120 PolarHBondContact N-O 3.4Å; S118-R120 PolarHBondContact O-N 2.94Å
121F91.5Very high86.4Confident2 Ų250.9 Ų50.91%0.00928%0.276CS..EExtended strand (participates in β ladder)trans-101.2121171.9-57.9-83.4000108.9P45 E49 Y53 Y109 S110 L111 N119 E157 V158 L161P45-F121 HydrophobicContact CB-CE2 4.16Å; P45-F121 HydrophobicContact CB-CZ 3.9Å; E49-F121 HydrophobicContact CB-CE2 4.45Å; Y53-F121 HydrophobicContact CD2-CB 4.16Å; Y53-F121 HydrophobicContact CD2-CD2 4.14Å; Y53-F121 HydrophobicContact CD2-CG 4.43Å; Y53-F121 HydrophobicContact CE1-CB 4.18Å; Y53-F121 WeakPolarHBondContact CE1-O 3.41Å; Y53-F121 HydrophobicContact CE2-CB 3.64Å; Y53-F121 AromaticContact CE2-CD2 3.67Å; Y53-F121 HydrophobicContact CE2-CD2 3.67Å; Y53-F121 HydrophobicContact CE2-CG 4.06Å; Y53-F121 PolarHBondContact OH-O 2.92Å; Y109-F121 HydrophobicContact CD1-CB 4.01Å; S110-F121 WeakPolarHBondContact O-CA 3.22Å; L111-F121 HydrophobicContact CD1-CD1 4.24Å; L111-F121 HydrophobicContact CD1-CE1 3.86Å; L111-F121 HydrophobicContact CD1-CZ 4.22Å; N119-F121 PolarHBondContact O-N 3.46Å; F121-E157 HydrophobicContact CE1-CB 4.24Å; F121-E157 HydrophobicContact CZ-CB 4.46Å; F121-V158 HydrophobicContact CD1-CG2 4.12Å; F121-V158 HydrophobicContact CE1-CG2 4.16Å; F121-L161 HydrophobicContact CD1-CD2 3.9Å; F121-L161 HydrophobicContact CE1-CD2 4.15Å; F121-L161 HydrophobicContact CG-CD2 4.2Å
122A90.1Very high86.2Confident18 Ų1851.4 Ų51.415%0.14928%0.279CS..EExtended strand (participates in β ladder)trans-148.3158172.200000111.2S110 R115S110-A122 PolarHBondContact N-O 3.5Å; S110-A122 PolarHBondContact O-N 3.49Å; S110-A122 VanDerWaalsContact O-N 3.1Å; R115-A122 VanDerWaalsContact NH1-CB 3.27Å
123K88.8Confident85.8Confident86 Ų8652.1 Ų52.137%0.37428%0.282SS..EExtended strand (participates in β ladder)trans-76.4134.8177-62.1-174.3-177-177.90109.7E57 Y109E57-K123 VanDerWaalsContact CD-NZ 3.29Å; E57-K123 WeakPolarHBondContact OE1-CE 3.38Å; E57-K123 IonicContact OE1-NZ 3.06Å; E57-K123 PolarHBondContact OE1-NZ 2.94Å; E57-K123 IonicContact OE2-NZ 2.95Å; E57-K123 PolarHBondContact OE2-NZ 2.92Å; Y109-K123 HydrophobicContact CD1-CG 4.34Å; Y109-K123 HydrophobicContact CD2-CG 4.23Å; Y109-K123 HydrophobicContact CE1-CG 4.23Å; Y109-K123 HydrophobicContact CE2-CD 4.42Å; Y109-K123 HydrophobicContact CE2-CG 4.14Å; Y109-K123 HydrophobicContact CG-CG 4.36Å
124G85.6Confident85.8Confident42 Ų4248.8 Ų48.843%0.43327%0.271SS..SBendtrans104.3175.9-177.800000113.2S110S110-G124 WeakPolarHBondContact CB-O 3.21Å; S110-G124 PolarHBondContact OG-O 3.4Å
125M81.7Confident85.9Confident89 Ų8949.3 Ų49.344%0.43828%0.276SS..  trans-70.6145.6-179-71.4179.8177.900111.6H112 F129H112-M125 PolarHBondContact CE1-O 3.05Å; M125-F129 HydrophobicContact CB-CD1 3.98Å; M125-F129 HydrophobicContact CE-CE1 4.03Å; M125-F129 HydrophobicContact CG-CD1 3.81Å; M125-F129 HydrophobicContact CG-CE1 3.94Å; M125-F129 HydrophobicContact SD-CD1 4Å; M125-F129 HydrophobicContact SD-CE1 3.94Å
126S84.8Confident85.8Confident13 Ų1350.3 Ų50.39%0.09128%0.284CS..  trans-71.5152.8172.958.50000112L111 T128 F129 E130L111-S126 WeakPolarHBondContact O-CB 3.43Å; S126-T128 PolarHBondContact O-N 2.89Å; S126-T128 PolarHBondContact OG-OG1 3.33Å; S126-F129 PolarHBondContact O-N 3.5Å; S126-F129 WeakPolarHBondContact OG-CB 3.48Å; S126-E130 WeakPolarHBondContact O-CB 3.42Å; S126-E130 PolarHBondContact O-N 3.16Å
127E85.3Confident85.6Confident75 Ų7552.1 Ų52.135%0.3528%0.284SS..Hα-helixtrans-59.7-37.2-176.1-66.7175.1-161.100111.6E114 T131E114-E127 HydrophobicContact CG-CB 4.14Å; E114-E127 HydrophobicContact CG-CG 4.2Å; E114-E127 WeakPolarHBondContact OE1-CG 3.48Å; E114-E127 PolarHBondContact OE1-N 2.86Å; E127-T131 WeakPolarHBondContact O-CB 3.44Å; E127-T131 PolarHBondContact O-N 3Å; E127-T131 VanDerWaalsContact O-N 3.09Å; E127-T131 PolarHBondContact O-OG1 3.13Å
128T81.6Confident85.5Confident79 Ų7959.1 Ų59.149%0.48531%0.308SS..Hα-helixtrans-65.6-41176.252.90000111.8S126 T131 L132S126-T128 PolarHBondContact O-N 2.89Å; S126-T128 PolarHBondContact OG-OG1 3.33Å; T128-T131 PolarHBondContact O-N 3.37Å; T128-L132 WeakPolarHBondContact O-CB 3.45Å; T128-L132 PolarHBondContact O-N 3.2Å
129F81.1Confident85.1Confident33 Ų3362.2 Ų62.215%0.14534%0.341CS..Hα-helixtrans-77.2-37-177.1-175.7-103.2000112.3M125 S126 T131 L132 H133 W151M125-F129 HydrophobicContact CB-CD1 3.98Å; M125-F129 HydrophobicContact CE-CE1 4.03Å; M125-F129 HydrophobicContact CG-CD1 3.81Å; M125-F129 HydrophobicContact CG-CE1 3.94Å; M125-F129 HydrophobicContact SD-CD1 4Å; M125-F129 HydrophobicContact SD-CE1 3.94Å; S126-F129 PolarHBondContact O-N 3.5Å; S126-F129 WeakPolarHBondContact OG-CB 3.48Å; F129-T131 VanDerWaalsContact C-N 3.31Å; F129-T131 PolarHBondContact O-N 3.44Å; F129-L132 WeakPolarHBondContact O-CB 3.1Å; F129-L132 PolarHBondContact O-N 2.85Å; F129-L132 VanDerWaalsContact O-N 3.16Å; F129-H133 AromaticContact CD1-CD2 3.51Å; F129-H133 AromaticContact CD1-NE2 3.87Å; F129-H133 AromaticContact CE1-CD2 3.18Å; F129-H133 WeakPolarHBondContact CE1-CD2 3.39Å; F129-H133 AromaticContact CE1-NE2 3.04Å; F129-H133 WeakPolarHBondContact CE1-NE2 3.37Å; F129-H133 AromaticContact CE2-CD2 3.89Å; F129-H133 AromaticContact CE2-NE2 3.68Å; F129-H133 AromaticContact CZ-CD2 3.41Å; F129-H133 VanDerWaalsContact CZ-CD2 3.41Å; F129-H133 WeakPolarHBondContact CZ-CD2 3.28Å; F129-H133 AromaticContact CZ-NE2 2.93Å; F129-H133 WeakPolarHBondContact CZ-NE2 3.49Å; F129-H133 PolarHBondContact O-CD2 2.93Å; F129-H133 PolarHBondContact O-N 2.95Å; F129-W151 HydrophobicContact CD2-CE3 4.44Å; F129-W151 HydrophobicContact CE2-CB 3.63Å; F129-W151 HydrophobicContact CE2-CD2 4.07Å; F129-W151 AromaticContact CE2-CE3 3.69Å; F129-W151 HydrophobicContact CE2-CE3 3.69Å; F129-W151 HydrophobicContact CE2-CG 4.08Å; F129-W151 WeakPolarHBondContact CE2-O 3.48Å; F129-W151 HydrophobicContact CZ-CB 3.52Å; F129-W151 HydrophobicContact CZ-CE3 4.14Å; F129-W151 HydrophobicContact CZ-CG 4.39Å; F129-W151 WeakPolarHBondContact CZ-O 3.2Å
130E86.3Confident84.8Confident107 Ų10764.6 Ų64.650%0.536%0.356SS..Hα-helixtrans-60.3-43.3170.1-174.8177.7-173.600110.7S126 L132 H133 N134S126-E130 WeakPolarHBondContact O-CB 3.42Å; S126-E130 PolarHBondContact O-N 3.16Å; E130-L132 VanDerWaalsContact C-N 3.3Å; E130-L132 PolarHBondContact O-N 3.21Å; E130-H133 PolarHBondContact O-N 3.27Å; E130-N134 WeakPolarHBondContact O-CB 3.3Å; E130-N134 VanDerWaalsContact O-CG 3.28Å; E130-N134 PolarHBondContact O-N 3.16Å; E130-N134 PolarHBondContact O-ND2 3.47Å
131T85.8Confident83.6Confident82 Ų8273 Ų7350%0.50339%0.392SS..Hα-helixtrans-60.2-42.7174.1-58.20000111.1E127 T128 F129 N134 L135E127-T131 WeakPolarHBondContact O-CB 3.44Å; E127-T131 PolarHBondContact O-N 3Å; E127-T131 VanDerWaalsContact O-N 3.09Å; E127-T131 PolarHBondContact O-OG1 3.13Å; T128-T131 PolarHBondContact O-N 3.37Å; F129-T131 VanDerWaalsContact C-N 3.31Å; F129-T131 PolarHBondContact O-N 3.44Å; T131-N134 WeakPolarHBondContact O-CB 3.36Å; T131-N134 PolarHBondContact O-N 3Å; T131-L135 HydrophobicContact CG2-CD1 4.02Å; T131-L135 WeakPolarHBondContact O-CD1 3.28Å; T131-L135 WeakPolarHBondContact O-CG 3.4Å; T131-L135 PolarHBondContact O-N 3.48Å
132L83.1Confident82.7Confident35 Ų3575.2 Ų75.218%0.18341%0.406CS..Hα-helixtrans-64.7-46.7179.3-168.170.3000112.6T128 F129 E130 N134 L135 V136 V142 M144 W151T128-L132 WeakPolarHBondContact O-CB 3.45Å; T128-L132 PolarHBondContact O-N 3.2Å; F129-L132 WeakPolarHBondContact O-CB 3.1Å; F129-L132 PolarHBondContact O-N 2.85Å; F129-L132 VanDerWaalsContact O-N 3.16Å; E130-L132 VanDerWaalsContact C-N 3.3Å; E130-L132 PolarHBondContact O-N 3.21Å; L132-N134 VanDerWaalsContact C-N 3.28Å; L132-N134 PolarHBondContact O-N 3.47Å; L132-L135 WeakPolarHBondContact O-CB 3.38Å; L132-L135 PolarHBondContact O-N 3.48Å; L132-L135 VanDerWaalsContact O-N 3.12Å; L132-V136 PolarHBondContact O-N 3.12Å; L132-V142 HydrophobicContact CD1-CB 4.12Å; L132-V142 HydrophobicContact CD1-CG1 3.59Å; L132-V142 HydrophobicContact CD1-CG2 4.01Å; L132-M144 HydrophobicContact CD2-CE 3.5Å; L132-M144 HydrophobicContact CD2-CG 4.34Å; L132-M144 HydrophobicContact CD2-SD 3.44Å; L132-M144 WeakPolarHBondContact CD2-SD 3.41Å; L132-W151 HydrophobicContact CB-CZ3 4.46Å; L132-W151 HydrophobicContact CD2-CE3 4.24Å; L132-W151 HydrophobicContact CD2-CH2 3.58Å; L132-W151 HydrophobicContact CD2-CZ2 4.39Å; L132-W151 HydrophobicContact CD2-CZ3 3.52Å; L132-W151 HydrophobicContact CG-CH2 3.82Å; L132-W151 HydrophobicContact CG-CZ3 3.71Å
133H82.1Confident81.3Confident19 Ų1979.9 Ų79.99%0.08843%0.433CS..Hα-helixtrans-58-42.1173.7-93.4-88000111.5F129 E130 L135 V136 H137 Y148 W151F129-H133 AromaticContact CD1-CD2 3.51Å; F129-H133 AromaticContact CD1-NE2 3.87Å; F129-H133 AromaticContact CE1-CD2 3.18Å; F129-H133 WeakPolarHBondContact CE1-CD2 3.39Å; F129-H133 AromaticContact CE1-NE2 3.04Å; F129-H133 WeakPolarHBondContact CE1-NE2 3.37Å; F129-H133 AromaticContact CE2-CD2 3.89Å; F129-H133 AromaticContact CE2-NE2 3.68Å; F129-H133 AromaticContact CZ-CD2 3.41Å; F129-H133 VanDerWaalsContact CZ-CD2 3.41Å; F129-H133 WeakPolarHBondContact CZ-CD2 3.28Å; F129-H133 AromaticContact CZ-NE2 2.93Å; F129-H133 WeakPolarHBondContact CZ-NE2 3.49Å; F129-H133 PolarHBondContact O-CD2 2.93Å; F129-H133 PolarHBondContact O-N 2.95Å; E130-H133 PolarHBondContact O-N 3.27Å; H133-L135 VanDerWaalsContact C-N 3.3Å; H133-L135 PolarHBondContact O-N 3.35Å; H133-V136 PolarHBondContact O-N 3.26Å; H133-H137 WeakPolarHBondContact O-CB 3.23Å; H133-H137 PolarHBondContact O-N 3.47Å; H133-Y148 AromaticContact CE1-CD2 4Å; H133-Y148 AromaticContact CE1-CE2 3.12Å; H133-Y148 WeakPolarHBondContact CE1-CE2 3.47Å; H133-Y148 AromaticContact CE1-CZ 3.27Å; H133-Y148 PolarHBondContact CE1-OH 3.44Å; H133-Y148 AromaticContact ND1-CE2 3.18Å; H133-Y148 WeakPolarHBondContact ND1-CE2 3.45Å; H133-Y148 AromaticContact ND1-CZ 3.36Å; H133-Y148 PolarHBondContact ND1-OH 2.86Å; H133-W151 AromaticContact CD2-CE3 3.85Å; H133-W151 AromaticContact CE1-CE3 3.94Å; H133-W151 AromaticContact NE2-CE3 3.49Å
134N85.9Confident80.2Confident78 Ų7879.2 Ų79.242%0.41743%0.432SS..Hα-helixtrans-63.1-34.5176.9-77.8-48.1000112.8E130 T131 L132 K138E130-N134 WeakPolarHBondContact O-CB 3.3Å; E130-N134 VanDerWaalsContact O-CG 3.28Å; E130-N134 PolarHBondContact O-N 3.16Å; E130-N134 PolarHBondContact O-ND2 3.47Å; T131-N134 WeakPolarHBondContact O-CB 3.36Å; T131-N134 PolarHBondContact O-N 3Å; L132-N134 VanDerWaalsContact C-N 3.28Å; L132-N134 PolarHBondContact O-N 3.47Å; N134-K138 WeakPolarHBondContact O-CB 3.49Å; N134-K138 WeakPolarHBondContact O-CD 3.43Å; N134-K138 WeakPolarHBondContact O-CG 3.46Å; N134-K138 PolarHBondContact O-N 3.09Å; N134-K138 VanDerWaalsContact O-N 3.15Å
135L86.3Confident79.4Confident71 Ų7185.2 Ų85.237%0.37245%0.454SS..Hα-helixtrans-69.4-48.2175.1-77.3147.7000111.4T131 L132 H133 H137 K138 G139 V140 V142T131-L135 HydrophobicContact CG2-CD1 4.02Å; T131-L135 WeakPolarHBondContact O-CD1 3.28Å; T131-L135 WeakPolarHBondContact O-CG 3.4Å; T131-L135 PolarHBondContact O-N 3.48Å; L132-L135 WeakPolarHBondContact O-CB 3.38Å; L132-L135 PolarHBondContact O-N 3.48Å; L132-L135 VanDerWaalsContact O-N 3.12Å; H133-L135 VanDerWaalsContact C-N 3.3Å; H133-L135 PolarHBondContact O-N 3.35Å; L135-H137 PolarHBondContact O-N 3.01Å; L135-K138 PolarHBondContact O-N 3.02Å; L135-K138 VanDerWaalsContact O-N 3.17Å; L135-G139 PolarHBondContact O-N 3.23Å; L135-V140 HydrophobicContact CB-CB 4.45Å; L135-V140 HydrophobicContact CD2-CG2 4.33Å; L135-V140 WeakPolarHBondContact O-CB 3.21Å; L135-V140 PolarHBondContact O-N 3.45Å; L135-V140 VanDerWaalsContact O-N 3.08Å; L135-V142 HydrophobicContact CB-CG2 4.23Å
136V83.6Confident79Confident45 Ų4585.3 Ų85.327%0.27346%0.455SS..Hα-helixtrans-61.8-44177.3173.60000111.2L132 H133 K138 G139 V142 Y148 W151L132-V136 PolarHBondContact O-N 3.12Å; H133-V136 PolarHBondContact O-N 3.26Å; V136-K138 PolarHBondContact O-N 3.48Å; V136-G139 PolarHBondContact O-N 3.39Å; V136-V142 HydrophobicContact CG2-CB 4.06Å; V136-V142 HydrophobicContact CG2-CG2 4.13Å; V136-Y148 HydrophobicContact CG1-CD2 4.38Å; V136-Y148 HydrophobicContact CG1-CE2 4.38Å; V136-W151 HydrophobicContact CG2-CH2 3.63Å; V136-W151 HydrophobicContact CG2-CZ3 4.08Å
137H81.4Confident78.7Confident162 Ų16288.6 Ų88.675%0.7548%0.476SS*.Hα-helixtrans-65.1-27177.4-168.2-71.1000112.6H133 L135 G139H133-H137 WeakPolarHBondContact O-CB 3.23Å; H133-H137 PolarHBondContact O-N 3.47Å; L135-H137 PolarHBondContact O-N 3.01Å; H137-G139 PolarHBondContact O-N 3.05Å
138K85.4Confident78Confident168 Ų16890.9 Ų90.973%0.7348%0.483SS*.THydrogen-bonded Turntrans-80.33.8172.6-74171.6-174.6176.60113.3N134 L135 V136N134-K138 WeakPolarHBondContact O-CB 3.49Å; N134-K138 WeakPolarHBondContact O-CD 3.43Å; N134-K138 WeakPolarHBondContact O-CG 3.46Å; N134-K138 PolarHBondContact O-N 3.09Å; N134-K138 VanDerWaalsContact O-N 3.15Å; L135-K138 PolarHBondContact O-N 3.02Å; L135-K138 VanDerWaalsContact O-N 3.17Å; V136-K138 PolarHBondContact O-N 3.48Å
139G77.9Confident77.7Confident67 Ų6795.8 Ų95.869%0.69150%0.5SS*.THydrogen-bonded Turntrans85.110.2177.600000114.2L135 V136 H137 K141L135-G139 PolarHBondContact O-N 3.23Å; V136-G139 PolarHBondContact O-N 3.39Å; H137-G139 PolarHBondContact O-N 3.05Å; G139-K141 PolarHBondContact O-N 3.46Å
140V81.7Confident77.3Confident74 Ų7497.9 Ų97.945%0.44851%0.512SS..  trans-76.9119.1171.1-178.50000108.1L135 V142L135-V140 HydrophobicContact CB-CB 4.45Å; L135-V140 HydrophobicContact CD2-CG2 4.33Å; L135-V140 WeakPolarHBondContact O-CB 3.21Å; L135-V140 PolarHBondContact O-N 3.45Å; L135-V140 VanDerWaalsContact O-N 3.08Å; V140-V142 VanDerWaalsContact C-N 3.33Å; V140-V142 HydrophobicContact CG1-CG2 4.26Å; V140-V142 PolarHBondContact O-N 2.69Å
141K66Low76.4Confident187 Ų18794.1 Ų94.181%0.81349%0.494SS*.  trans-73.188175.9-170.3179.9-179.6-1780109.6G139 V143G139-K141 PolarHBondContact O-N 3.46Å; K141-V143 HydrophobicContact CG-CG2 4.37Å; K141-V143 PolarHBondContact O-N 2.88Å
142V72Confident75.5Confident50 Ų5095.5 Ų95.530%0.30350%0.498SS..  trans-80.3108.8166.9-1750000107.4L132 L135 V136 V140 M144L132-V142 HydrophobicContact CD1-CB 4.12Å; L132-V142 HydrophobicContact CD1-CG1 3.59Å; L132-V142 HydrophobicContact CD1-CG2 4.01Å; L135-V142 HydrophobicContact CB-CG2 4.23Å; V136-V142 HydrophobicContact CG2-CB 4.06Å; V136-V142 HydrophobicContact CG2-CG2 4.13Å; V140-V142 VanDerWaalsContact C-N 3.33Å; V140-V142 HydrophobicContact CG1-CG2 4.26Å; V140-V142 PolarHBondContact O-N 2.69Å; V142-M144 HydrophobicContact CG1-CG 4.04Å; V142-M144 PolarHBondContact O-N 3.44Å
143V61.3Low75.2Confident116 Ų116100.1 Ų100.170%0.70352%0.519SS*.  trans-75.4107172.6-176.20000106.7K141K141-V143 HydrophobicContact CG-CG2 4.37Å; K141-V143 PolarHBondContact O-N 2.88Å
144M66.4Low75.1Confident71 Ų71102.2 Ų102.235%0.3553%0.533SS..  trans-107.6148.6161.8-64.2-135.4-63.400108L132 V142 I146 W151L132-M144 HydrophobicContact CD2-CE 3.5Å; L132-M144 HydrophobicContact CD2-CG 4.34Å; L132-M144 HydrophobicContact CD2-SD 3.44Å; L132-M144 WeakPolarHBondContact CD2-SD 3.41Å; V142-M144 HydrophobicContact CG1-CG 4.04Å; V142-M144 PolarHBondContact O-N 3.44Å; M144-I146 PolarHBondContact O-N 2.95Å; M144-W151 HydrophobicContact CB-CZ2 3.97Å; M144-W151 HydrophobicContact CE-CD2 3.55Å; M144-W151 HydrophobicContact CE-CE3 4.02Å; M144-W151 HydrophobicContact CE-CG 4.15Å; M144-W151 HydrophobicContact CE-CH2 3.65Å; M144-W151 HydrophobicContact CE-CZ2 3.16Å; M144-W151 HydrophobicContact CE-CZ3 4.07Å; M144-W151 HydrophobicContact CG-CH2 4.22Å; M144-W151 HydrophobicContact CG-CZ2 3.73Å; M144-W151 HydrophobicContact SD-CH2 4.46Å; M144-W151 HydrophobicContact SD-CZ2 4.17Å
145D68.6Low75Confident168 Ų168100.3 Ų100.390%0.89853%0.525SS*.SBendtrans-70.96.6175.8-61.5-45.4000113.1
146I72.3Confident75.1Confident91 Ų9199.7 Ų99.747%0.46753%0.531SS..SBendtrans-125.1126.9-177.8-55.2178000108.2M144 L150 W151M144-I146 PolarHBondContact O-N 2.95Å; I146-L150 HydrophobicContact CG2-CB 3.58Å; I146-W151 PolarHBondContact O-NE1 2.67Å
147P77.9Confident75.4Confident82 Ų8298.3 Ų98.353%0.53252%0.521SS..  trans-62.1149.2173.4-21.131.5000112.7E149 L150 W151P147-E149 PolarHBondContact O-N 3.06Å; P147-L150 HydrophobicContact CB-CD1 4.2Å; P147-L150 HydrophobicContact CG-CD1 3.96Å; P147-L150 PolarHBondContact O-N 2.82Å; P147-W151 PolarHBondContact O-NE1 2.56Å
148Y70.6Confident75.9Confident124 Ų12490.6 Ų90.649%0.48649%0.485SS..G310 helixtrans-53.8-30.8-176.6-173-98.4000114.3H133 V136 L150 W151H133-Y148 AromaticContact CE1-CD2 4Å; H133-Y148 AromaticContact CE1-CE2 3.12Å; H133-Y148 WeakPolarHBondContact CE1-CE2 3.47Å; H133-Y148 AromaticContact CE1-CZ 3.27Å; H133-Y148 PolarHBondContact CE1-OH 3.44Å; H133-Y148 AromaticContact ND1-CE2 3.18Å; H133-Y148 WeakPolarHBondContact ND1-CE2 3.45Å; H133-Y148 AromaticContact ND1-CZ 3.36Å; H133-Y148 PolarHBondContact ND1-OH 2.86Å; V136-Y148 HydrophobicContact CG1-CD2 4.38Å; V136-Y148 HydrophobicContact CG1-CE2 4.38Å; Y148-L150 VanDerWaalsContact C-N 3.25Å; Y148-L150 PolarHBondContact O-N 2.78Å; Y148-W151 HydrophobicContact CD2-CD2 4.15Å; Y148-W151 HydrophobicContact CD2-CE3 4.01Å; Y148-W151 HydrophobicContact CD2-CZ3 4.27Å; Y148-W151 HydrophobicContact CE2-CE3 4.32Å; Y148-W151 WeakPolarHBondContact O-CB 3.47Å; Y148-W151 PolarHBondContact O-N 3.05Å
149E75.6Confident76.2Confident181 Ų18184.8 Ų84.885%0.84647%0.469SS*.G310 helixtrans-66.1-27179.1-64.5174.6-175.400113P147P147-E149 PolarHBondContact O-N 3.06Å
150L73.8Confident77Confident78 Ų7883 Ų8341%0.40844%0.444SS..G310 helixtrans-95.82.2-178.7-71.6135.4000112.8I146 P147 Y148 N152 E153I146-L150 HydrophobicContact CG2-CB 3.58Å; P147-L150 HydrophobicContact CB-CD1 4.2Å; P147-L150 HydrophobicContact CG-CD1 3.96Å; P147-L150 PolarHBondContact O-N 2.82Å; Y148-L150 VanDerWaalsContact C-N 3.25Å; Y148-L150 PolarHBondContact O-N 2.78Å; L150-N152 VanDerWaalsContact C-N 3.28Å; L150-N152 PolarHBondContact O-N 2.82Å; L150-E153 WeakPolarHBondContact CD2-OE2 3.34Å; L150-E153 VanDerWaalsContact O-CB 3.23Å; L150-E153 WeakPolarHBondContact O-CB 3.5Å; L150-E153 PolarHBondContact O-N 2.94Å; L150-E153 VanDerWaalsContact O-N 3.14Å
151W66.7Low77.6Confident27 Ų2779.5 Ų79.510%0.10242%0.423CS..THydrogen-bonded Turntrans-71.5-24-176.7-78.723.9000113.1F129 L132 H133 V136 M144 I146 P147 Y148 E153F129-W151 HydrophobicContact CD2-CE3 4.44Å; F129-W151 HydrophobicContact CE2-CB 3.63Å; F129-W151 HydrophobicContact CE2-CD2 4.07Å; F129-W151 AromaticContact CE2-CE3 3.69Å; F129-W151 HydrophobicContact CE2-CE3 3.69Å; F129-W151 HydrophobicContact CE2-CG 4.08Å; F129-W151 WeakPolarHBondContact CE2-O 3.48Å; F129-W151 HydrophobicContact CZ-CB 3.52Å; F129-W151 HydrophobicContact CZ-CE3 4.14Å; F129-W151 HydrophobicContact CZ-CG 4.39Å; F129-W151 WeakPolarHBondContact CZ-O 3.2Å; L132-W151 HydrophobicContact CB-CZ3 4.46Å; L132-W151 HydrophobicContact CD2-CE3 4.24Å; L132-W151 HydrophobicContact CD2-CH2 3.58Å; L132-W151 HydrophobicContact CD2-CZ2 4.39Å; L132-W151 HydrophobicContact CD2-CZ3 3.52Å; L132-W151 HydrophobicContact CG-CH2 3.82Å; L132-W151 HydrophobicContact CG-CZ3 3.71Å; H133-W151 AromaticContact CD2-CE3 3.85Å; H133-W151 AromaticContact CE1-CE3 3.94Å; H133-W151 AromaticContact NE2-CE3 3.49Å; V136-W151 HydrophobicContact CG2-CH2 3.63Å; V136-W151 HydrophobicContact CG2-CZ3 4.08Å; M144-W151 HydrophobicContact CB-CZ2 3.97Å; M144-W151 HydrophobicContact CE-CD2 3.55Å; M144-W151 HydrophobicContact CE-CE3 4.02Å; M144-W151 HydrophobicContact CE-CG 4.15Å; M144-W151 HydrophobicContact CE-CH2 3.65Å; M144-W151 HydrophobicContact CE-CZ2 3.16Å; M144-W151 HydrophobicContact CE-CZ3 4.07Å; M144-W151 HydrophobicContact CG-CH2 4.22Å; M144-W151 HydrophobicContact CG-CZ2 3.73Å; M144-W151 HydrophobicContact SD-CH2 4.46Å; M144-W151 HydrophobicContact SD-CZ2 4.17Å; I146-W151 PolarHBondContact O-NE1 2.67Å; P147-W151 PolarHBondContact O-NE1 2.56Å; Y148-W151 HydrophobicContact CD2-CD2 4.15Å; Y148-W151 HydrophobicContact CD2-CE3 4.01Å; Y148-W151 HydrophobicContact CD2-CZ3 4.27Å; Y148-W151 HydrophobicContact CE2-CE3 4.32Å; Y148-W151 WeakPolarHBondContact O-CB 3.47Å; Y148-W151 PolarHBondContact O-N 3.05Å; W151-E153 VanDerWaalsContact C-N 3.34Å
152N67.8Low79Confident112 Ų11272.8 Ų72.860%0.59939%0.393SS*.THydrogen-bonded Turntrans-93.48.1173.3-65.3-40.1000112.9L150L150-N152 VanDerWaalsContact C-N 3.28Å; L150-N152 PolarHBondContact O-N 2.82Å
153E76.7Confident80.1Confident132 Ų13277 Ų7762%0.61741%0.408SS*.SBendtrans-68.9145.9175.7-167.7170.7-160.700110.4L150 W151 S155L150-E153 WeakPolarHBondContact CD2-OE2 3.34Å; L150-E153 VanDerWaalsContact O-CB 3.23Å; L150-E153 WeakPolarHBondContact O-CB 3.5Å; L150-E153 PolarHBondContact O-N 2.94Å; L150-E153 VanDerWaalsContact O-N 3.14Å; W151-E153 VanDerWaalsContact C-N 3.34Å; E153-S155 PolarHBondContact O-N 3.48Å
154T79.4Confident81.8Confident63 Ų6373.9 Ų73.939%0.38739%0.385SS..PPolyproline II helixtrans-63124.3-178.853.40000111L107 V158L107-T154 HydrophobicContact CB-CG2 4.34Å; L107-T154 HydrophobicContact CD2-CG2 3.91Å; T154-V158 HydrophobicContact CG2-CG1 4.4Å
155S84.3Confident83.2Confident37 Ų3770.5 Ų70.526%0.25937%0.368SS..PPolyproline II helixtrans-58.3153.9172.660.70000112.1E153 E157 V158 A159E153-S155 PolarHBondContact O-N 3.48Å; S155-E157 PolarHBondContact O-N 2.89Å; S155-E157 VanDerWaalsContact O-N 3.17Å; S155-V158 PolarHBondContact O-N 2.04Å; S155-V158 VanDerWaalsContact OG-CG2 3.24Å; S155-V158 WeakPolarHBondContact OG-CG2 3.28Å; S155-A159 PolarHBondContact O-N 3.47Å
156A87.9Confident84.5Confident58 Ų5865.3 Ų65.348%0.47934%0.341SS..Hα-helixtrans-54.8-35.9178.600000112.5V42 A159 D160V42-A156 HydrophobicContact CG1-CB 4.22Å; A156-A159 PolarHBondContact O-N 2.83Å; A156-D160 WeakPolarHBondContact O-CB 3.47Å; A156-D160 PolarHBondContact O-N 2.99Å
157E90.5Very high85.7Confident16 Ų1664 Ų648%0.07534%0.337CS..Hα-helixtrans-65.9-36.7176.9-62.987.6160.700112.8V42 R43 L111 F121 S155 L161V42-E157 HydrophobicContact CG1-CG 4.07Å; R43-E157 WeakPolarHBondContact O-CG 3.39Å; L111-E157 HydrophobicContact CD1-CB 4.26Å; L111-E157 HydrophobicContact CD2-CG 4.2Å; F121-E157 HydrophobicContact CE1-CB 4.24Å; F121-E157 HydrophobicContact CZ-CB 4.46Å; S155-E157 PolarHBondContact O-N 2.89Å; S155-E157 VanDerWaalsContact O-N 3.17Å; E157-L161 WeakPolarHBondContact O-CB 3.18Å; E157-L161 PolarHBondContact O-N 3.27Å
158V91.7Very high86.6Confident0 Ų060.7 Ų60.70%032%0.315CS..Hα-helixtrans-77-37.3177.4173.20000110.7Y109 F121 T154 S155 D160 L161 K162Y109-V158 WeakPolarHBondContact O-CG1 3.47Å; Y109-V158 WeakPolarHBondContact O-CG2 3.3Å; F121-V158 HydrophobicContact CD1-CG2 4.12Å; F121-V158 HydrophobicContact CE1-CG2 4.16Å; T154-V158 HydrophobicContact CG2-CG1 4.4Å; S155-V158 PolarHBondContact O-N 2.04Å; S155-V158 VanDerWaalsContact OG-CG2 3.24Å; S155-V158 WeakPolarHBondContact OG-CG2 3.28Å; V158-D160 VanDerWaalsContact C-N 3.3Å; V158-D160 PolarHBondContact O-N 3.1Å; V158-L161 WeakPolarHBondContact O-CB 3.4Å; V158-L161 PolarHBondContact O-N 3.4Å; V158-K162 PolarHBondContact O-N 3.33Å
159A92.1Very high87.8Confident47 Ų4755.7 Ų55.739%0.38830%0.297SS..Hα-helixtrans-60.8-42.1172.400000111.1S155 A156 K162 K163S155-A159 PolarHBondContact O-N 3.47Å; A156-A159 PolarHBondContact O-N 2.83Å; A159-K162 PolarHBondContact O-N 3.25Å; A159-K163 PolarHBondContact O-N 3.44Å
160D94.2Very high88.7Confident30 Ų3054 Ų5416%0.1629%0.289CS..Hα-helixtrans-68.9-36.4174.5-167.267.8000112.3L44 P45 A156 V158 K162 K163 Q164L44-D160 HydrophobicContact CD2-CB 3.93Å; P45-D160 WeakPolarHBondContact CD-OD2 3.28Å; P45-D160 HydrophobicContact CG-CB 4.35Å; A156-D160 WeakPolarHBondContact O-CB 3.47Å; A156-D160 PolarHBondContact O-N 2.99Å; V158-D160 VanDerWaalsContact C-N 3.3Å; V158-D160 PolarHBondContact O-N 3.1Å; D160-K162 VanDerWaalsContact C-N 3.31Å; D160-K162 PolarHBondContact O-N 2.74Å; D160-K163 PolarHBondContact O-N 2.99Å; D160-Q164 WeakPolarHBondContact O-CB 3.4Å; D160-Q164 WeakPolarHBondContact O-CG 3.45Å; D160-Q164 PolarHBondContact O-N 3.03Å; D160-Q164 PolarHBondContact OD2-NE2 3.05Å
161L94.6Very high89.8Confident0 Ų056.3 Ų56.30%030%0.298CS..Hα-helixtrans-57.2-44.9172177.563.3000111.3P45 V50 L106 F121 E157 V158 C165P45-L161 HydrophobicContact CB-CD1 4.34Å; P45-L161 HydrophobicContact CG-CB 4.09Å; V50-L161 HydrophobicContact CB-CD1 4.1Å; V50-L161 HydrophobicContact CG1-CD1 4.2Å; V50-L161 HydrophobicContact CG2-CD1 3.76Å; L106-L161 HydrophobicContact CD1-CG 4.4Å; L106-L161 HydrophobicContact CD2-CD2 4.5Å; F121-L161 HydrophobicContact CD1-CD2 3.9Å; F121-L161 HydrophobicContact CE1-CD2 4.15Å; F121-L161 HydrophobicContact CG-CD2 4.2Å; E157-L161 WeakPolarHBondContact O-CB 3.18Å; E157-L161 PolarHBondContact O-N 3.27Å; V158-L161 WeakPolarHBondContact O-CB 3.4Å; V158-L161 PolarHBondContact O-N 3.4Å; L161-C165 WeakPolarHBondContact O-CB 3.37Å; L161-C165 PolarHBondContact O-N 2.85Å
162K94.9Very high91.2Very high45 Ų4556.8 Ų56.820%0.19630%0.301CS..Hα-helixtrans-62-49.2174.3168.9168.2171.236.10111.2L107 V158 A159 D160 Q164 C165 D166L107-K162 HydrophobicContact CD1-CD 3.81Å; L107-K162 HydrophobicContact CD2-CB 4.03Å; L107-K162 HydrophobicContact CD2-CD 3.73Å; L107-K162 HydrophobicContact CD2-CG 4.45Å; L107-K162 HydrophobicContact CG-CD 3.77Å; V158-K162 PolarHBondContact O-N 3.33Å; A159-K162 PolarHBondContact O-N 3.25Å; D160-K162 VanDerWaalsContact C-N 3.31Å; D160-K162 PolarHBondContact O-N 2.74Å; K162-Q164 VanDerWaalsContact C-N 3.3Å; K162-Q164 PolarHBondContact O-N 2.71Å; K162-C165 WeakPolarHBondContact O-CA 3.37Å; K162-C165 VanDerWaalsContact O-CB 3.27Å; K162-C165 WeakPolarHBondContact O-CB 3.5Å; K162-C165 PolarHBondContact O-N 3.37Å; K162-D166 VanDerWaalsContact NZ-CG 3.26Å; K162-D166 IonicContact NZ-OD1 2.71Å; K162-D166 PolarHBondContact NZ-OD1 3.49Å; K162-D166 IonicContact NZ-OD2 3.44Å; K162-D166 PolarHBondContact NZ-OD2 3.47Å; K162-D166 PolarHBondContact O-N 2.94Å
163K95.5Very high92.5Very high140 Ų14056.8 Ų56.861%0.60930%0.297SS*.Hα-helixtrans-58.5-44-179.1-178.4-176175.9-175.60111.7A159 D160 C165 D166 V167A159-K163 PolarHBondContact O-N 3.44Å; D160-K163 PolarHBondContact O-N 2.99Å; K163-C165 VanDerWaalsContact C-N 3.31Å; K163-D166 PolarHBondContact O-N 3.22Å; K163-V167 PolarHBondContact O-N 2.89Å
164Q96.1Very high93.3Very high49 Ų4958.4 Ų58.423%0.22931%0.305CS..Hα-helixtrans-69.3-29.3176.9-68.6-167.642.400112.3P45 V50 D160 K162 L168P45-Q164 PolarHBondContact O-NE2 2.97Å; P45-Q164 VanDerWaalsContact O-NE2 3.11Å; V50-Q164 HydrophobicContact CB-CB 4.37Å; V50-Q164 HydrophobicContact CG1-CB 3.8Å; V50-Q164 HydrophobicContact CG2-CB 3.77Å; V50-Q164 HydrophobicContact CG2-CG 4.35Å; V50-Q164 VanDerWaalsContact CG2-OE1 3.26Å; D160-Q164 WeakPolarHBondContact O-CB 3.4Å; D160-Q164 WeakPolarHBondContact O-CG 3.45Å; D160-Q164 PolarHBondContact O-N 3.03Å; D160-Q164 PolarHBondContact OD2-NE2 3.05Å; K162-Q164 VanDerWaalsContact C-N 3.3Å; K162-Q164 PolarHBondContact O-N 2.71Å; Q164-L168 VanDerWaalsContact O-CB 3.23Å; Q164-L168 WeakPolarHBondContact O-CB 3.47Å; Q164-L168 PolarHBondContact O-N 3.11Å
165C96.8Very high94.1Very high0 Ų056.6 Ų56.60%029%0.293CS..Hα-helixtrans-63.2-47.9170.4175.30000111.6V54 C103 L106 L161 K162 K163 V167 L168 V169V54-C165 HydrophobicContact CG2-CB 3.8Å; V54-C165 VanDerWaalsContact CG2-SG 3.58Å; C103-C165 WeakPolarHBondContact CA-SG 3.18Å; C103-C165 HydrophobicContact CB-CB 3.79Å; C103-C165 WeakPolarHBondContact CB-SG 3.43Å; C103-C165 WeakPolarHBondContact SG-CB 3.07Å; C103-C165 PolarHBondContact SG-O 3.2Å; C103-C165 CovalentContact SG-SG 2.04Å; C103-C165 PolarHBondContact SG-SG 3.41Å; L106-C165 HydrophobicContact CD1-CB 3.37Å; L106-C165 WeakPolarHBondContact CD1-SG 3.4Å; L161-C165 WeakPolarHBondContact O-CB 3.37Å; L161-C165 PolarHBondContact O-N 2.85Å; K162-C165 WeakPolarHBondContact O-CA 3.37Å; K162-C165 VanDerWaalsContact O-CB 3.27Å; K162-C165 WeakPolarHBondContact O-CB 3.5Å; K162-C165 PolarHBondContact O-N 3.37Å; K163-C165 VanDerWaalsContact C-N 3.31Å; C165-V167 VanDerWaalsContact C-N 3.28Å; C165-V167 PolarHBondContact O-N 3.02Å; C165-L168 PolarHBondContact O-N 2.99Å; C165-L168 VanDerWaalsContact O-N 3.09Å; C165-V169 WeakPolarHBondContact O-CG2 3.03Å; C165-V169 PolarHBondContact O-N 3.29Å
166D96.3Very high94.6Very high60 Ų6054.9 Ų54.932%0.32128%0.281SS..Hα-helixtrans-56.4-47.7-179-63.7-43.4000109.4C103 K162 K163 L168 V169 E170C103-D166 WeakPolarHBondContact CB-OD1 3.47Å; C103-D166 PolarHBondContact SG-N 3.37Å; C103-D166 VanDerWaalsContact SG-N 3.38Å; C103-D166 PolarHBondContact SG-OD1 2.94Å; K162-D166 VanDerWaalsContact NZ-CG 3.26Å; K162-D166 IonicContact NZ-OD1 2.71Å; K162-D166 PolarHBondContact NZ-OD1 3.49Å; K162-D166 IonicContact NZ-OD2 3.44Å; K162-D166 PolarHBondContact NZ-OD2 3.47Å; K162-D166 PolarHBondContact O-N 2.94Å; K163-D166 PolarHBondContact O-N 3.22Å; D166-L168 PolarHBondContact O-N 3.38Å; D166-V169 PolarHBondContact O-N 3.06Å; D166-E170 VanDerWaalsContact O-CG 3.28Å; D166-E170 WeakPolarHBondContact O-CG 3.37Å; D166-E170 PolarHBondContact O-N 3.14Å; D166-E170 VanDerWaalsContact O-N 3.12Å
167V96.4Very high94.9Very high62 Ų6255 Ų5538%0.37627%0.272SS..Hα-helixtrans-62.7-42.6175.6176.60000112.6K163 C165 E170 E171K163-V167 PolarHBondContact O-N 2.89Å; C165-V167 VanDerWaalsContact C-N 3.28Å; C165-V167 PolarHBondContact O-N 3.02Å; V167-E170 PolarHBondContact O-N 2.87Å; V167-E171 HydrophobicContact CG1-CG 4.13Å; V167-E171 WeakPolarHBondContact CG1-OE1 3.27Å; V167-E171 WeakPolarHBondContact O-CB 3.27Å; V167-E171 VanDerWaalsContact O-CG 3.3Å; V167-E171 WeakPolarHBondContact O-CG 3.13Å; V167-E171 PolarHBondContact O-N 3.42Å
168L95.8Very high95.1Very high13 Ų1357.4 Ų57.47%0.06829%0.285CS..Hα-helixtrans-66.8-41.5-178.4-172.4156.7000111.6V50 C51 V54 Q164 C165 D166 E170 E171 F172 L192 V197V50-L168 HydrophobicContact CG1-CD1 4.16Å; C51-L168 HydrophobicContact CB-CD1 3.93Å; V54-L168 HydrophobicContact CG1-CD2 4.12Å; Q164-L168 VanDerWaalsContact O-CB 3.23Å; Q164-L168 WeakPolarHBondContact O-CB 3.47Å; Q164-L168 PolarHBondContact O-N 3.11Å; C165-L168 PolarHBondContact O-N 2.99Å; C165-L168 VanDerWaalsContact O-N 3.09Å; D166-L168 PolarHBondContact O-N 3.38Å; L168-E170 VanDerWaalsContact C-N 3.34Å; L168-E171 PolarHBondContact O-N 3.36Å; L168-F172 HydrophobicContact CD2-CD2 4.39Å; L168-F172 HydrophobicContact CG-CD2 4.06Å; L168-F172 WeakPolarHBondContact O-CB 3.47Å; L168-F172 VanDerWaalsContact O-CD2 3.31Å; L168-F172 WeakPolarHBondContact O-CD2 3.35Å; L168-F172 PolarHBondContact O-N 2.86Å; L168-L192 HydrophobicContact CD2-CD2 4.22Å; L168-V197 HydrophobicContact CD1-CG1 4.25Å; L168-V197 HydrophobicContact CD1-CG2 4.28Å; L168-V197 HydrophobicContact CG-CG2 4.42Å
169V95.9Very high95.3Very high20 Ų2058.2 Ų58.212%0.12129%0.289CS..Hα-helixtrans-65.8-41178.3172.90000110.5V54 I102 C165 D166 E173V54-V169 HydrophobicContact CG1-CG2 4.25Å; I102-V169 HydrophobicContact CG2-CG2 3.92Å; C165-V169 WeakPolarHBondContact O-CG2 3.03Å; C165-V169 PolarHBondContact O-N 3.29Å; D166-V169 PolarHBondContact O-N 3.06Å; V169-E173 WeakPolarHBondContact O-CA 3.11Å; V169-E173 PolarHBondContact O-N 3.11Å
170E95.6Very high95.3Very high145 Ų14556.2 Ų56.268%0.67827%0.271SS*.Hα-helixtrans-63.9-48.3174.7-71174.9166.200112.2D166 V167 L168 F172D166-E170 VanDerWaalsContact O-CG 3.28Å; D166-E170 WeakPolarHBondContact O-CG 3.37Å; D166-E170 PolarHBondContact O-N 3.14Å; D166-E170 VanDerWaalsContact O-N 3.12Å; V167-E170 PolarHBondContact O-N 2.87Å; L168-E170 VanDerWaalsContact C-N 3.34Å; E170-F172 VanDerWaalsContact C-N 3.3Å; E170-F172 PolarHBondContact O-N 3.35Å
171E96Very high95.1Very high127 Ų12761 Ų6159%0.59329%0.286SS*.Hα-helixtrans-66.2-30.8-177.9-76.8-179.2175.400113.2V167 L168V167-E171 HydrophobicContact CG1-CG 4.13Å; V167-E171 WeakPolarHBondContact CG1-OE1 3.27Å; V167-E171 WeakPolarHBondContact O-CB 3.27Å; V167-E171 VanDerWaalsContact O-CG 3.3Å; V167-E171 WeakPolarHBondContact O-CG 3.13Å; V167-E171 PolarHBondContact O-N 3.42Å; L168-E171 PolarHBondContact O-N 3.36Å
172F95.9Very high95Very high36 Ų3665.5 Ų65.516%0.15831%0.311CS..THydrogen-bonded Turntrans-115.221.8-173.2-64.5-89.2000113.1L168 E170 E174 V175 I176 L192 H196 V197L168-F172 HydrophobicContact CD2-CD2 4.39Å; L168-F172 HydrophobicContact CG-CD2 4.06Å; L168-F172 WeakPolarHBondContact O-CB 3.47Å; L168-F172 VanDerWaalsContact O-CD2 3.31Å; L168-F172 WeakPolarHBondContact O-CD2 3.35Å; L168-F172 PolarHBondContact O-N 2.86Å; E170-F172 VanDerWaalsContact C-N 3.3Å; E170-F172 PolarHBondContact O-N 3.35Å; F172-E174 PolarHBondContact O-N 2.84Å; F172-V175 HydrophobicContact CB-CB 4.43Å; F172-V175 HydrophobicContact CD1-CG2 4.21Å; F172-V175 WeakPolarHBondContact O-CB 3.39Å; F172-V175 PolarHBondContact O-N 3.08Å; F172-V175 VanDerWaalsContact O-N 3.13Å; F172-I176 WeakPolarHBondContact O-CG1 3.22Å; F172-I176 PolarHBondContact O-N 3.38Å; F172-L192 HydrophobicContact CB-CD1 3.88Å; F172-L192 HydrophobicContact CD1-CD1 4.45Å; F172-L192 HydrophobicContact CG-CD1 4.32Å; F172-H196 HydrophobicContact CD1-CB 4.12Å; F172-H196 HydrophobicContact CE1-CB 4.07Å; F172-V197 HydrophobicContact CD1-CG2 4.15Å; F172-V197 HydrophobicContact CD2-CG2 4.03Å; F172-V197 HydrophobicContact CE1-CG2 3.95Å; F172-V197 HydrophobicContact CE2-CG2 3.84Å; F172-V197 HydrophobicContact CG-CG2 4.2Å; F172-V197 HydrophobicContact CZ-CB 4.31Å; F172-V197 HydrophobicContact CZ-CG2 3.79Å
173E95.5Very high94.8Very high112 Ų11265.8 Ų65.852%0.52331%0.313SS..Hα-helixtrans-54.3-50.5179.3-177174.2-153.900111.8V169 V175 I176 E177V169-E173 WeakPolarHBondContact O-CA 3.11Å; V169-E173 PolarHBondContact O-N 3.11Å; E173-V175 PolarHBondContact O-N 3.1Å; E173-I176 PolarHBondContact O-N 3.37Å; E173-I176 VanDerWaalsContact O-N 3.08Å; E173-E177 WeakPolarHBondContact O-CG 3.46Å; E173-E177 PolarHBondContact O-N 2.81Å
174E94.4Very high94.4Very high167 Ų16763.1 Ų63.178%0.7830%0.302SS*.Hα-helixtrans-58.9-35.6179.5-61.8-175.2170.300112.6F172 D178F172-E174 PolarHBondContact O-N 2.84Å; E174-D178 WeakPolarHBondContact O-CB 3.24Å; E174-D178 PolarHBondContact O-N 2.71Å
175V95.7Very high94Very high24 Ų2468 Ų6815%0.14533%0.325CS..Hα-helixtrans-72.4-39.6179.1179.40000110.5F172 E173 W179 F191 L192 H196F172-V175 HydrophobicContact CB-CB 4.43Å; F172-V175 HydrophobicContact CD1-CG2 4.21Å; F172-V175 WeakPolarHBondContact O-CB 3.39Å; F172-V175 PolarHBondContact O-N 3.08Å; F172-V175 VanDerWaalsContact O-N 3.13Å; E173-V175 PolarHBondContact O-N 3.1Å; V175-W179 WeakPolarHBondContact O-CB 3.34Å; V175-W179 PolarHBondContact O-N 3.22Å; V175-F191 HydrophobicContact CG1-CD1 4.14Å; V175-F191 HydrophobicContact CG1-CE1 3.64Å; V175-L192 HydrophobicContact CB-CD1 4.36Å; V175-L192 HydrophobicContact CG1-CD1 3.9Å; V175-H196 HydrophobicContact CG1-CB 4.07Å; V175-H196 WeakPolarHBondContact CG2-ND1 3.44Å
176I95.3Very high93.7Very high2 Ų272 Ų721%0.0134%0.344CS..Hα-helixtrans-67.1-41.2176.4-66.6165.9000110.2L58 L95 T99 F172 E173 W179 Y180 L192L58-I176 HydrophobicContact CD2-CD1 4.18Å; L58-I176 HydrophobicContact CD2-CG1 4.27Å; L58-I176 HydrophobicContact CD2-CG2 3.96Å; L95-I176 HydrophobicContact CD1-CG2 4.15Å; T99-I176 HydrophobicContact CG2-CG2 4.03Å; F172-I176 WeakPolarHBondContact O-CG1 3.22Å; F172-I176 PolarHBondContact O-N 3.38Å; E173-I176 PolarHBondContact O-N 3.37Å; E173-I176 VanDerWaalsContact O-N 3.08Å; I176-W179 PolarHBondContact O-N 3.27Å; I176-Y180 VanDerWaalsContact O-CB 3.32Å; I176-Y180 WeakPolarHBondContact O-CB 3.48Å; I176-Y180 PolarHBondContact O-N 3.37Å; I176-L192 HydrophobicContact CD1-CD2 4.4Å; I176-L192 HydrophobicContact CG1-CD1 4.1Å; I176-L192 HydrophobicContact CG1-CD2 4.2Å
177E94Very high93.4Very high61 Ų6171.8 Ų71.829%0.28534%0.343SS..Hα-helixtrans-60-48.6173.9-77.3-167.2-166.300112.3L95 E173 Y180 R181L95-E177 HydrophobicContact CD2-CB 4.29Å; L95-E177 HydrophobicContact CD2-CG 3.67Å; E173-E177 WeakPolarHBondContact O-CG 3.46Å; E173-E177 PolarHBondContact O-N 2.81Å; E177-Y180 PolarHBondContact O-N 3.39Å; E177-R181 WeakPolarHBondContact O-CG 3.48Å; E177-R181 PolarHBondContact O-N 3.12Å; E177-R181 IonicContact OE2-CZ 3.48Å; E177-R181 IonicContact OE2-NH1 2.67Å; E177-R181 PolarHBondContact OE2-NH1 3.17Å
178D94.9Very high93.2Very high66 Ų6668.9 Ų68.935%0.35333%0.325SS..Hα-helixtrans-62.1-45.3179.7-175.753.5000111.1E174 Y180 R181 N182 H183E174-D178 WeakPolarHBondContact O-CB 3.24Å; E174-D178 PolarHBondContact O-N 2.71Å; D178-Y180 VanDerWaalsContact C-N 3.32Å; D178-Y180 PolarHBondContact O-N 2.96Å; D178-R181 PolarHBondContact O-N 3.17Å; D178-N182 WeakPolarHBondContact O-CB 3.26Å; D178-N182 PolarHBondContact O-N 3.46Å; D178-N182 PolarHBondContact OD1-ND2 2.74Å; D178-H183 IonicContact OD2-CD2 3.76Å; D178-H183 IonicContact OD2-NE2 2.86Å
179W94.8Very high93Very high17 Ų1769.3 Ų69.36%0.06433%0.328CS..Hα-helixtrans-58.2-46.2174.4-177.981.5000111.8F62 V175 I176 R181 H183 Q184 E186 L188 F191F62-W179 HydrophobicContact CD2-CH2 4.41Å; F62-W179 AromaticContact CD2-CZ3 3.77Å; F62-W179 HydrophobicContact CD2-CZ3 3.77Å; F62-W179 HydrophobicContact CE2-CE3 4.49Å; F62-W179 AromaticContact CE2-CZ3 3.87Å; F62-W179 HydrophobicContact CE2-CZ3 3.87Å; V175-W179 WeakPolarHBondContact O-CB 3.34Å; V175-W179 PolarHBondContact O-N 3.22Å; I176-W179 PolarHBondContact O-N 3.27Å; W179-R181 VanDerWaalsContact C-N 3.32Å; W179-R181 PolarHBondContact O-N 3.32Å; W179-H183 HydrophobicContact CG-CB 4.37Å; W179-H183 PolarHBondContact NE1-O 2.76Å; W179-H183 CarbonylContact O-C 3.56Å; W179-H183 VanDerWaalsContact O-C 3.28Å; W179-H183 WeakPolarHBondContact O-CA 3.45Å; W179-H183 PolarHBondContact O-N 2.94Å; W179-Q184 PolarHBondContact O-N 3.35Å; W179-E186 WeakPolarHBondContact CZ2-O 3.35Å; W179-E186 PolarHBondContact NE1-O 3.33Å; W179-E186 VanDerWaalsContact NE1-O 3.16Å; W179-L188 HydrophobicContact CB-CD1 4.44Å; W179-L188 HydrophobicContact CD2-CB 4.3Å; W179-L188 HydrophobicContact CD2-CD1 3.56Å; W179-L188 HydrophobicContact CD2-CG 4.41Å; W179-L188 HydrophobicContact CE3-CD1 3.76Å; W179-L188 HydrophobicContact CE3-CD2 4.42Å; W179-L188 HydrophobicContact CE3-CG 4.49Å; W179-L188 HydrophobicContact CG-CD1 3.84Å; W179-L188 HydrophobicContact CH2-CB 4.05Å; W179-L188 HydrophobicContact CH2-CD2 4.32Å; W179-L188 HydrophobicContact CZ2-CB 3.68Å; W179-L188 HydrophobicContact CZ2-CD1 4.49Å; W179-L188 HydrophobicContact CZ3-CD1 4.3Å; W179-L188 HydrophobicContact CZ3-CD2 4.16Å; W179-F191 HydrophobicContact CB-CD1 3.73Å; W179-F191 HydrophobicContact CB-CE1 3.61Å; W179-F191 HydrophobicContact CB-CZ 4.3Å; W179-F191 AromaticContact CD1-CD1 3.56Å; W179-F191 AromaticContact CD1-CG 3.5Å; W179-F191 VanDerWaalsContact CD1-CG 3.5Å; W179-F191 AromaticContact CG-CD1 3.92Å; W179-F191 HydrophobicContact CG-CD1 3.92Å; W179-F191 HydrophobicContact CG-CE1 4.25Å; W179-F191 HydrophobicContact CG-CG 4.3Å
180Y92.1Very high92.9Very high4 Ų474.7 Ų74.72%0.01635%0.352CS..Hα-helixtrans-65.6-33.6-178.3-178.2-103.1000112.8F62 T89 S91 R94 L95 I176 E177 D178 Q184F62-Y180 HydrophobicContact CD1-CD2 4.14Å; F62-Y180 AromaticContact CD1-CE2 3.81Å; F62-Y180 HydrophobicContact CD1-CE2 3.81Å; F62-Y180 AromaticContact CE1-CD2 3.71Å; F62-Y180 HydrophobicContact CE1-CD2 3.71Å; F62-Y180 AromaticContact CE1-CE2 3.6Å; F62-Y180 HydrophobicContact CE1-CE2 3.6Å; F62-Y180 HydrophobicContact CE2-CD2 4.3Å; F62-Y180 AromaticContact CZ-CD2 3.81Å; F62-Y180 HydrophobicContact CZ-CD2 3.81Å; F62-Y180 HydrophobicContact CZ-CE2 4.2Å; T89-Y180 PolarHBondContact O-OH 3.05Å; S91-Y180 PolarHBondContact O-OH 3.22Å; R94-Y180 WeakPolarHBondContact CD-OH 3.45Å; R94-Y180 PolarHBondContact NH1-OH 2.8Å; L95-Y180 HydrophobicContact CB-CD1 4.09Å; L95-Y180 HydrophobicContact CB-CE1 4Å; L95-Y180 HydrophobicContact CD1-CD1 4.12Å; L95-Y180 HydrophobicContact CD1-CD2 4.14Å; L95-Y180 HydrophobicContact CD1-CG 3.81Å; L95-Y180 HydrophobicContact CD2-CD1 3.98Å; L95-Y180 HydrophobicContact CD2-CG 4.34Å; L95-Y180 HydrophobicContact CG-CD1 4.31Å; L95-Y180 HydrophobicContact CG-CG 4.48Å; I176-Y180 VanDerWaalsContact O-CB 3.32Å; I176-Y180 WeakPolarHBondContact O-CB 3.48Å; I176-Y180 PolarHBondContact O-N 3.37Å; E177-Y180 PolarHBondContact O-N 3.39Å; D178-Y180 VanDerWaalsContact C-N 3.32Å; D178-Y180 PolarHBondContact O-N 2.96Å; Y180-Q184 WeakPolarHBondContact O-CG 3.15Å; Y180-Q184 PolarHBondContact O-NE2 3.19Å
181R91.3Very high92.8Very high130 Ų13068.4 Ų68.449%0.49132%0.323SS..Hα-helixtrans-85.3-39.3-179.4-71.5179.8175.4149.3-1.7112.9D92 E177 D178 W179D92-R181 IonicContact OD1-CZ 3.55Å; D92-R181 IonicContact OD1-NE 3.78Å; D92-R181 PolarHBondContact OD1-NE 2.95Å; D92-R181 IonicContact OD1-NH2 2.78Å; D92-R181 PolarHBondContact OD1-NH2 2.62Å; D92-R181 IonicContact OD2-CZ 3.72Å; D92-R181 IonicContact OD2-NH2 3.26Å; D92-R181 PolarHBondContact OD2-NH2 3.44Å; E177-R181 WeakPolarHBondContact O-CG 3.48Å; E177-R181 PolarHBondContact O-N 3.12Å; E177-R181 IonicContact OE2-CZ 3.48Å; E177-R181 IonicContact OE2-NH1 2.67Å; E177-R181 PolarHBondContact OE2-NH1 3.17Å; D178-R181 PolarHBondContact O-N 3.17Å; W179-R181 VanDerWaalsContact C-N 3.32Å; W179-R181 PolarHBondContact O-N 3.32Å
182N92.2Very high92.7Very high96 Ų9662.4 Ų62.451%0.51329%0.294SS..Hα-helixtrans-118-21.5-163.7-60.1-42.8000114.6D178D178-N182 WeakPolarHBondContact O-CB 3.26Å; D178-N182 PolarHBondContact O-N 3.46Å; D178-N182 PolarHBondContact OD1-ND2 2.74Å
183H90.6Very high92.6Very high50 Ų5060.7 Ų60.723%0.23129%0.287CS..  trans-13132.2-169.3-58.2-86.6000114.3D178 W179 E185 E186 F191D178-H183 IonicContact OD2-CD2 3.76Å; D178-H183 IonicContact OD2-NE2 2.86Å; W179-H183 HydrophobicContact CG-CB 4.37Å; W179-H183 PolarHBondContact NE1-O 2.76Å; W179-H183 CarbonylContact O-C 3.56Å; W179-H183 VanDerWaalsContact O-C 3.28Å; W179-H183 WeakPolarHBondContact O-CA 3.45Å; W179-H183 PolarHBondContact O-N 2.94Å; H183-E185 PolarHBondContact O-N 2.81Å; H183-E186 HydrophobicContact CB-CB 4.44Å; H183-E186 HydrophobicContact CB-CG 4.38Å; H183-E186 IonicContact CE1-OE1 3.79Å; H183-E186 IonicContact CG-OE1 3.72Å; H183-E186 IonicContact ND1-OE1 3.81Å; H183-E186 PolarHBondContact ND1-OE1 3.23Å; H183-E186 PolarHBondContact O-N 3.22Å; H183-F191 HydrophobicContact CB-CE2 4.26Å; H183-F191 AromaticContact CD2-CE2 3.94Å; H183-F191 AromaticContact CG-CE2 3.91Å
184Q86.4Confident92.5Very high84 Ų8456.8 Ų56.839%0.39327%0.274SS..THydrogen-bonded Turntrans-60.1-19.7-177.9-68.1-169.1-0.100114.1W179 Y180W179-Q184 PolarHBondContact O-N 3.35Å; Y180-Q184 WeakPolarHBondContact O-CG 3.15Å; Y180-Q184 PolarHBondContact O-NE2 3.19Å
185E87.2Confident92.4Very high152 Ų15253.3 Ų53.371%0.7126%0.261SS*.THydrogen-bonded Turntrans-77-21.2175.762.2-86.7-157.600114.3H183H183-E185 PolarHBondContact O-N 2.81Å
186E90.6Very high92.2Very high85 Ų8554.7 Ų54.740%0.39727%0.265SS..SBendtrans-85150.9-179.8-64.2-176.8-144.600111.1W179 H183 L188 F191W179-E186 WeakPolarHBondContact CZ2-O 3.35Å; W179-E186 PolarHBondContact NE1-O 3.33Å; W179-E186 VanDerWaalsContact NE1-O 3.16Å; H183-E186 HydrophobicContact CB-CB 4.44Å; H183-E186 HydrophobicContact CB-CG 4.38Å; H183-E186 IonicContact CE1-OE1 3.79Å; H183-E186 IonicContact CG-OE1 3.72Å; H183-E186 IonicContact ND1-OE1 3.81Å; H183-E186 PolarHBondContact ND1-OE1 3.23Å; H183-E186 PolarHBondContact O-N 3.22Å; E186-L188 PolarHBondContact O-N 3.4Å; E186-F191 WeakPolarHBondContact OE2-CD2 3.23Å
187D91Very high92.1Very high55 Ų5555.6 Ų55.629%0.29427%0.271SS..  trans-71.5117.3175.8-163.5-77.2000110.2K59 T189 E190 F191K59-D187 IonicContact NZ-OD2 3.51Å; K59-D187 PolarHBondContact NZ-OD2 3Å; D187-T189 PolarHBondContact O-N 3.26Å; D187-T189 VanDerWaalsContact O-N 3.1Å; D187-T189 WeakPolarHBondContact OD1-CA 3.39Å; D187-T189 WeakPolarHBondContact OD1-CB 3.44Å; D187-T189 PolarHBondContact OD1-N 3.03Å; D187-T189 PolarHBondContact OD1-OG1 3.48Å; D187-E190 HydrophobicContact CB-CB 4.5Å; D187-E190 HydrophobicContact CB-CG 4.37Å; D187-E190 PolarHBondContact O-N 3.45Å; D187-F191 PolarHBondContact O-N 2.81Å
188L91.9Very high91.9Very high1 Ų153 Ų531%0.00526%0.259CS..Hα-helixtrans-53.9-31.7179.3-17959.9000113.2A55 L58 W179 E186 L192A55-L188 HydrophobicContact CB-CG 4.43Å; L58-L188 HydrophobicContact CB-CD2 3.7Å; L58-L188 HydrophobicContact CD2-CD2 3.68Å; L58-L188 HydrophobicContact CG-CD2 3.54Å; W179-L188 HydrophobicContact CB-CD1 4.44Å; W179-L188 HydrophobicContact CD2-CB 4.3Å; W179-L188 HydrophobicContact CD2-CD1 3.56Å; W179-L188 HydrophobicContact CD2-CG 4.41Å; W179-L188 HydrophobicContact CE3-CD1 3.76Å; W179-L188 HydrophobicContact CE3-CD2 4.42Å; W179-L188 HydrophobicContact CE3-CG 4.49Å; W179-L188 HydrophobicContact CG-CD1 3.84Å; W179-L188 HydrophobicContact CH2-CB 4.05Å; W179-L188 HydrophobicContact CH2-CD2 4.32Å; W179-L188 HydrophobicContact CZ2-CB 3.68Å; W179-L188 HydrophobicContact CZ2-CD1 4.49Å; W179-L188 HydrophobicContact CZ3-CD1 4.3Å; W179-L188 HydrophobicContact CZ3-CD2 4.16Å; E186-L188 PolarHBondContact O-N 3.4Å; L188-L192 HydrophobicContact CD1-CB 4.06Å; L188-L192 WeakPolarHBondContact O-CB 3.48Å; L188-L192 PolarHBondContact O-N 3.09Å
189T92.3Very high91.5Very high21 Ų2157 Ų5713%0.12927%0.273CS..Iπ-helixtrans-66-42178.2-39.40000110.9A55 D187 C193 L206A55-T189 HydrophobicContact CB-CG2 4.18Å; D187-T189 PolarHBondContact O-N 3.26Å; D187-T189 VanDerWaalsContact O-N 3.1Å; D187-T189 WeakPolarHBondContact OD1-CA 3.39Å; D187-T189 WeakPolarHBondContact OD1-CB 3.44Å; D187-T189 PolarHBondContact OD1-N 3.03Å; D187-T189 PolarHBondContact OD1-OG1 3.48Å; T189-C193 WeakPolarHBondContact O-CA 3.14Å; T189-C193 WeakPolarHBondContact O-CB 3.04Å; T189-C193 PolarHBondContact O-N 3Å; T189-L206 HydrophobicContact CG2-CD2 3.89Å
190E92.4Very high90.6Very high133 Ų13360.3 Ų60.362%0.62131%0.312SS*.Iπ-helixtrans-73.7-46.5177.9-65.1-175.9176.500110.4D187 A194 N195D187-E190 HydrophobicContact CB-CB 4.5Å; D187-E190 HydrophobicContact CB-CG 4.37Å; D187-E190 PolarHBondContact O-N 3.45Å; E190-A194 VanDerWaalsContact O-CB 3.27Å; E190-A194 WeakPolarHBondContact O-CB 3.34Å; E190-A194 PolarHBondContact O-N 2.89Å; E190-A194 VanDerWaalsContact O-N 3.11Å; E190-N195 PolarHBondContact O-N 3.24Å
191F93.9Very high90.4Very high14 Ų1466.2 Ų66.26%0.06134%0.338CS..Iπ-helixtrans-59.5-61.3179.4-171.3-89.9000111.2V175 W179 H183 E186 D187 N195 H196V175-F191 HydrophobicContact CG1-CD1 4.14Å; V175-F191 HydrophobicContact CG1-CE1 3.64Å; W179-F191 HydrophobicContact CB-CD1 3.73Å; W179-F191 HydrophobicContact CB-CE1 3.61Å; W179-F191 HydrophobicContact CB-CZ 4.3Å; W179-F191 AromaticContact CD1-CD1 3.56Å; W179-F191 AromaticContact CD1-CG 3.5Å; W179-F191 VanDerWaalsContact CD1-CG 3.5Å; W179-F191 AromaticContact CG-CD1 3.92Å; W179-F191 HydrophobicContact CG-CD1 3.92Å; W179-F191 HydrophobicContact CG-CE1 4.25Å; W179-F191 HydrophobicContact CG-CG 4.3Å; H183-F191 HydrophobicContact CB-CE2 4.26Å; H183-F191 AromaticContact CD2-CE2 3.94Å; H183-F191 AromaticContact CG-CE2 3.91Å; E186-F191 WeakPolarHBondContact OE2-CD2 3.23Å; D187-F191 PolarHBondContact O-N 2.81Å; F191-N195 WeakPolarHBondContact O-CB 3.5Å; F191-H196 PolarHBondContact O-CD2 3.45Å; F191-H196 VanDerWaalsContact O-CD2 3.26Å
192L94.3Very high90Very high0 Ų066.5 Ų66.50%035%0.35CS..Iπ-helixtrans-70.2-51.1-176.5-175.663.6000111.6L168 F172 V175 I176 L188 H196 V197L168-L192 HydrophobicContact CD2-CD2 4.22Å; F172-L192 HydrophobicContact CB-CD1 3.88Å; F172-L192 HydrophobicContact CD1-CD1 4.45Å; F172-L192 HydrophobicContact CG-CD1 4.32Å; V175-L192 HydrophobicContact CB-CD1 4.36Å; V175-L192 HydrophobicContact CG1-CD1 3.9Å; I176-L192 HydrophobicContact CD1-CD2 4.4Å; I176-L192 HydrophobicContact CG1-CD1 4.1Å; I176-L192 HydrophobicContact CG1-CD2 4.2Å; L188-L192 HydrophobicContact CD1-CB 4.06Å; L188-L192 WeakPolarHBondContact O-CB 3.48Å; L188-L192 PolarHBondContact O-N 3.09Å; L192-H196 WeakPolarHBondContact O-CA 3.18Å; L192-H196 WeakPolarHBondContact O-CB 3.18Å; L192-H196 PolarHBondContact O-N 2.99Å; L192-V197 HydrophobicContact CD1-CG2 4.36Å; L192-V197 HydrophobicContact CG-CG2 4.26Å; L192-V197 WeakPolarHBondContact O-CG2 3.1Å; L192-V197 PolarHBondContact O-N 3.42Å
193C94.2Very high89.9Confident0 Ų065.1 Ų65.10%034%0.344CS..Iπ-helixtrans-82.6-49.8-168.5-55.30000113.7C51 T189 L198 L206C51-C193 HydrophobicContact CB-CB 3.82Å; C51-C193 WeakPolarHBondContact CB-SG 3.39Å; C51-C193 PolarHBondContact O-SG 2.81Å; C51-C193 WeakPolarHBondContact SG-CA 3.45Å; C51-C193 WeakPolarHBondContact SG-CB 3.41Å; C51-C193 CovalentContact SG-SG 2.03Å; C51-C193 PolarHBondContact SG-SG 3.14Å; T189-C193 WeakPolarHBondContact O-CA 3.14Å; T189-C193 WeakPolarHBondContact O-CB 3.04Å; T189-C193 PolarHBondContact O-N 3Å; C193-L198 HydrophobicContact CB-CD1 4.48Å; C193-L198 WeakPolarHBondContact O-CB 3.36Å; C193-L198 VanDerWaalsContact O-CG 3.3Å; C193-L198 WeakPolarHBondContact O-CG 3.46Å; C193-L198 PolarHBondContact O-N 3.16Å; C193-L206 HydrophobicContact CB-CD1 3.81Å; C193-L206 HydrophobicContact CB-CD2 3.92Å
194A92.3Very high89.8Confident30 Ų3066.4 Ų66.425%0.24836%0.359CS..Iπ-helixtrans-71.5-45.2-176.600000111.1E190 T203 L206E190-A194 VanDerWaalsContact O-CB 3.27Å; E190-A194 WeakPolarHBondContact O-CB 3.34Å; E190-A194 PolarHBondContact O-N 2.89Å; E190-A194 VanDerWaalsContact O-N 3.11Å; A194-T203 HydrophobicContact CB-CG2 4.38Å; A194-L206 HydrophobicContact CB-CD1 4.21Å
195N92.4Very high89.9Confident94 Ų9462.8 Ų62.850%0.50334%0.343SS..Iπ-helixtrans-86-36.2-172.7-56.4-28000113.3E190 F191 K199E190-N195 PolarHBondContact O-N 3.24Å; F191-N195 WeakPolarHBondContact O-CB 3.5Å; N195-K199 WeakPolarHBondContact O-CG 3.41Å
196H91.9Very high90Very high54 Ų5457.4 Ų57.425%0.2532%0.319CS..Iπ-helixtrans-105.8-49.6-173-69.7-103.5000114.5F172 V175 F191 L192 K199F172-H196 HydrophobicContact CD1-CB 4.12Å; F172-H196 HydrophobicContact CE1-CB 4.07Å; V175-H196 HydrophobicContact CG1-CB 4.07Å; V175-H196 WeakPolarHBondContact CG2-ND1 3.44Å; F191-H196 PolarHBondContact O-CD2 3.45Å; F191-H196 VanDerWaalsContact O-CD2 3.26Å; L192-H196 WeakPolarHBondContact O-CA 3.18Å; L192-H196 WeakPolarHBondContact O-CB 3.18Å; L192-H196 PolarHBondContact O-N 2.99Å; H196-K199 WeakPolarHBondContact O-CD 3.43Å; H196-K199 WeakPolarHBondContact O-CE 3.12Å; H196-K199 WeakPolarHBondContact O-CG 3.1Å
197V92.8Very high89.8Confident21 Ų2157.5 Ų57.513%0.12734%0.335CS..Iπ-helixtrans-80.2-42.9-174.2178.10000112.5C51 L168 F172 L192C51-V197 HydrophobicContact CB-CB 4.4Å; C51-V197 HydrophobicContact CB-CG1 4.08Å; C51-V197 VanDerWaalsContact SG-CG2 3.59Å; L168-V197 HydrophobicContact CD1-CG1 4.25Å; L168-V197 HydrophobicContact CD1-CG2 4.28Å; L168-V197 HydrophobicContact CG-CG2 4.42Å; F172-V197 HydrophobicContact CD1-CG2 4.15Å; F172-V197 HydrophobicContact CD2-CG2 4.03Å; F172-V197 HydrophobicContact CE1-CG2 3.95Å; F172-V197 HydrophobicContact CE2-CG2 3.84Å; F172-V197 HydrophobicContact CG-CG2 4.2Å; F172-V197 HydrophobicContact CZ-CB 4.31Å; F172-V197 HydrophobicContact CZ-CG2 3.79Å; L192-V197 HydrophobicContact CD1-CG2 4.36Å; L192-V197 HydrophobicContact CG-CG2 4.26Å; L192-V197 WeakPolarHBondContact O-CG2 3.1Å; L192-V197 PolarHBondContact O-N 3.42Å
198L91.1Very high89.6Confident5 Ų558.2 Ų58.23%0.02634%0.336CS..SBendtrans-93.2-23.6-172-63172.3000114C48 C193 G200 K201 T203 L206C48-L198 HydrophobicContact CB-CD1 4.2Å; C48-L198 HydrophobicContact CB-CD2 3.98Å; C48-L198 VanDerWaalsContact SG-CD1 3.58Å; C193-L198 HydrophobicContact CB-CD1 4.48Å; C193-L198 WeakPolarHBondContact O-CB 3.36Å; C193-L198 VanDerWaalsContact O-CG 3.3Å; C193-L198 WeakPolarHBondContact O-CG 3.46Å; C193-L198 PolarHBondContact O-N 3.16Å; L198-G200 VanDerWaalsContact C-N 3.34Å; L198-G200 PolarHBondContact O-N 3.05Å; L198-K201 HydrophobicContact CB-CB 4.46Å; L198-K201 VanDerWaalsContact O-CB 3.23Å; L198-K201 WeakPolarHBondContact O-CB 3.36Å; L198-K201 VanDerWaalsContact O-CG 3.32Å; L198-K201 WeakPolarHBondContact O-CG 2.93Å; L198-K201 PolarHBondContact O-N 3.32Å; L198-T203 HydrophobicContact CB-CG2 4.29Å; L198-T203 HydrophobicContact CD1-CG2 3.94Å; L198-L206 HydrophobicContact CD1-CD1 4.09Å; L198-L206 HydrophobicContact CD1-CG 4.41Å
199K85.3Confident89Confident151 Ų15169.1 Ų69.166%0.65738%0.377SS*.THydrogen-bonded Turntrans2563.2171.2-74.5179-177.71790114.7N195 H196N195-K199 WeakPolarHBondContact O-CG 3.41Å; H196-K199 WeakPolarHBondContact O-CD 3.43Å; H196-K199 WeakPolarHBondContact O-CE 3.12Å; H196-K199 WeakPolarHBondContact O-CG 3.1Å
200G76.9Confident88Confident86 Ų8672.6 Ų72.689%0.88739%0.388SS*.THydrogen-bonded Turntrans90.110.2176.900000116.4L198L198-G200 VanDerWaalsContact C-N 3.34Å; L198-G200 PolarHBondContact O-N 3.05Å
201K86.7Confident86.5Confident129 Ų12971.3 Ų71.356%0.56139%0.393SS*.SBendtrans-91.2172.9168-64.3175-177.51740111.1L198 T203L198-K201 HydrophobicContact CB-CB 4.46Å; L198-K201 VanDerWaalsContact O-CB 3.23Å; L198-K201 WeakPolarHBondContact O-CB 3.36Å; L198-K201 VanDerWaalsContact O-CG 3.32Å; L198-K201 WeakPolarHBondContact O-CG 2.93Å; L198-K201 PolarHBondContact O-N 3.32Å; K201-T203 PolarHBondContact O-N 3.46Å; K201-T203 VanDerWaalsContact O-N 3.14Å
202D84.4Confident85Confident136 Ų13673 Ų7373%0.72742%0.415SS*.  trans-57.7116.4177.7-58.9-43.7000111.2C48C48-D202 PolarHBondContact SG-O 3.21Å; C48-D202 VanDerWaalsContact SG-O 3.33Å
203T88.7Confident83.2Confident66 Ų6680.8 Ų80.841%0.40545%0.449SS..  trans-979.5175.354.20000112.5A194 L198 K201 C205 L206A194-T203 HydrophobicContact CB-CG2 4.38Å; L198-T203 HydrophobicContact CB-CG2 4.29Å; L198-T203 HydrophobicContact CD1-CG2 3.94Å; K201-T203 PolarHBondContact O-N 3.46Å; K201-T203 VanDerWaalsContact O-N 3.14Å; T203-C205 PolarHBondContact O-N 2.91Å; T203-C205 VanDerWaalsContact O-N 3.11Å; T203-L206 HydrophobicContact CG2-CD1 4.42Å; T203-L206 WeakPolarHBondContact O-CB 3.19Å; T203-L206 PolarHBondContact O-N 3.39Å
204S88.4Confident80.7Confident78 Ų7891.6 Ų91.655%0.54550%0.496SS..Hα-helixtrans-55.1-34-175.756.10000113L206 A207S204-L206 PolarHBondContact O-N 3.43Å; S204-A207 PolarHBondContact O-N 2.83Å
205C89.5Confident78.7Confident8 Ų893.6 Ų93.65%0.05452%0.519CS..Hα-helixtrans-61.1-31.3178.580.40000112.9C48 K52 S118 T203C48-C205 VanDerWaalsContact CA-SG 3.52Å; C48-C205 HydrophobicContact CB-CB 3.9Å; C48-C205 WeakPolarHBondContact CB-SG 3.38Å; C48-C205 PolarHBondContact O-SG 3.39Å; C48-C205 WeakPolarHBondContact SG-CB 3.49Å; C48-C205 CovalentContact SG-SG 2.01Å; C48-C205 PolarHBondContact SG-SG 3.31Å; K52-C205 WeakPolarHBondContact CD-O 3.15Å; K52-C205 WeakPolarHBondContact CE-O 3.38Å; K52-C205 PolarHBondContact NZ-O 3.42Å; S118-C205 PolarHBondContact OG-O 2.75Å; T203-C205 PolarHBondContact O-N 2.91Å; T203-C205 VanDerWaalsContact O-N 3.11Å
206L89.3Confident76.2Confident38 Ų3892 Ų9220%0.19951%0.51CS..Hα-helixtrans-72.4-34.2-175.4-55.6-178.6000111.3K52 T189 C193 A194 L198 T203 S204 E208K52-L206 HydrophobicContact CB-CD2 3.85Å; K52-L206 HydrophobicContact CG-CD2 4.26Å; T189-L206 HydrophobicContact CG2-CD2 3.89Å; C193-L206 HydrophobicContact CB-CD1 3.81Å; C193-L206 HydrophobicContact CB-CD2 3.92Å; A194-L206 HydrophobicContact CB-CD1 4.21Å; L198-L206 HydrophobicContact CD1-CD1 4.09Å; L198-L206 HydrophobicContact CD1-CG 4.41Å; T203-L206 HydrophobicContact CG2-CD1 4.42Å; T203-L206 WeakPolarHBondContact O-CB 3.19Å; T203-L206 PolarHBondContact O-N 3.39Å; S204-L206 PolarHBondContact O-N 3.43Å; L206-E208 VanDerWaalsContact C-N 3.35Å
207A86.1Confident73.9Confident88 Ų8897.3 Ų97.373%0.72754%0.539SS*.Hα-helixtrans-76.5-21.5-179.400000113.3S204 R209S204-A207 PolarHBondContact O-N 2.83Å; A207-R209 PolarHBondContact O-N 3.35Å
208E86.2Confident71.6Confident69 Ų6999.3 Ų99.332%0.32256%0.558SS.*  trans-67.9118.4-179.4-70.6177.1176.400110.8K52 S118 L206K52-E208 PolarHBondContact NZ-O 2.96Å; S118-E208 VanDerWaalsContact CB-OE2 3.31Å; S118-E208 WeakPolarHBondContact CB-OE2 3.43Å; S118-E208 PolarHBondContact N-OE2 3.15Å; S118-E208 PolarHBondContact OG-OE2 3Å; L206-E208 VanDerWaalsContact C-N 3.35Å
209R80.3Confident69.3Low230 Ų230104.5 Ų104.587%0.86859%0.594SS**  trans-118126.3174.9-162.3170.8179.5159.91.2109.5A207 S211A207-R209 PolarHBondContact O-N 3.35Å; R209-S211 PolarHBondContact O-N 3.35Å
210W71.6Confident67.3Low95 Ų95105.3 Ų105.336%0.3661%0.605SS.*  trans-68.3105.6173.8-176.4-113.7000110R115 N119 G212R115-W210 HydrophobicContact CB-CZ3 4.42Å; R115-W210 HydrophobicContact CG-CH2 3.77Å; R115-W210 HydrophobicContact CG-CZ2 4.36Å; R115-W210 HydrophobicContact CG-CZ3 3.85Å; R115-W210 VanDerWaalsContact NE-CZ2 3.3Å; N119-W210 HydrophobicContact CB-CB 4.4Å; N119-W210 HydrophobicContact CB-CE3 4.15Å; W210-G212 PolarHBondContact O-N 3.44Å
211S59.8Low65.8Low105 Ų105105.5 Ų105.573%0.73461%0.607SS**  trans-85.294.116460.30000107.4R209 K213R209-S211 PolarHBondContact O-N 3.35Å; S211-K213 PolarHBondContact O-N 3.08Å
212G63Low63.3Low49 Ų49102.4 Ų102.451%0.50561%0.611SS.*  trans-45.9138.8-173.900000114W210W210-G212 PolarHBondContact O-N 3.44Å
213K57.3Low60.9Low165 Ų165105.8 Ų105.872%0.71762%0.62SS**  trans-77.8154.1167.4-84.1-178.9178.5174.60109.7S211 G215 D216S211-K213 PolarHBondContact O-N 3.08Å; K213-G215 PolarHBondContact O-N 3.49Å; K213-D216 PolarHBondContact O-N 3.12Å
214K39.8Very low58.2Low226 Ų226112.6 Ų112.698%0.98364%0.644SS**THydrogen-bonded Turntrans-60.890.2-178.2-170.6-176.4-173.1-173.60110.3
215G51Low55.8Low72 Ų72114.4 Ų114.474%0.74266%0.657SS**THydrogen-bonded Turntrans168.9-29.7-179.300000113.1K213 I217K213-G215 PolarHBondContact O-N 3.49Å; G215-I217 PolarHBondContact O-N 3.39Å
216D40.5Very low53.1Low60 Ų60124 Ų12432%0.32170%0.697SS.*  trans-86.3106.2-173.6-57.6-21.4000112.2R115 K213 A218R115-D216 IonicContact NH2-OD2 2.76Å; R115-D216 PolarHBondContact NH2-OD2 3.19Å; R115-D216 VanDerWaalsContact NH2-OD2 3.11Å; K213-D216 PolarHBondContact O-N 3.12Å; D216-A218 PolarHBondContact O-N 2.82Å
217I43.4Very low50.3Low167 Ų167131.2 Ų131.286%0.85673%0.727SS**  trans-87.874.4150.1-62.6173.9000106.5G215G215-I217 PolarHBondContact O-N 3.39Å
218A44.1Very low47.7Very low63 Ų63136.8 Ų136.852%0.52174%0.735SS.*  trans-91.8112.815600000106.6D216 L220D216-A218 PolarHBondContact O-N 2.82Å; A218-L220 PolarHBondContact O-N 3.38Å
219S43.6Very low45.1Very low113 Ų113144.4 Ų144.479%0.7976%0.761SS**  trans-62.392.1-178.8-76.80000111.1G221S219-G221 PolarHBondContact O-N 3.19Å
220L42.6Very low42.8Very low169 Ų169137.2 Ų137.289%0.88576%0.758SS**  trans-68.4119.7145.6-65.3176000106.4A218 G222A218-L220 PolarHBondContact O-N 3.38Å; L220-G222 PolarHBondContact O-N 3.03Å
221G45.9Very low40.8Very low90 Ų90144.6 Ų144.693%0.92879%0.786SS**  trans-6066.7-17300000115.7S219S219-G221 PolarHBondContact O-N 3.19Å
222G32.9Very low39.6Very low63 Ų63146.1 Ų146.165%0.64979%0.79SS**  trans-9694.6169.400000110.6L220 K224L220-G222 PolarHBondContact O-N 3.03Å; G222-K224 PolarHBondContact O-N 3.3Å
223K35.6Very low38.1Very low207 Ų207153.7 Ų153.790%0.981%0.809SS**  trans-58.798.2162.9-80.8-177.6175.6177.50108.7S225K223-S225 PolarHBondContact O-N 3.05Å
224K31.9Very low36.7Very low210 Ų210148.8 Ų148.891%0.91381%0.805SS**  trans-66.7101163.6-87.7-174.7178.11730108.2G222 K226G222-K224 PolarHBondContact O-N 3.3Å; K224-K226 PolarHBondContact O-N 3.17Å; K224-K226 VanDerWaalsContact O-N 3.14Å
225S36.6Very low36Very low116 Ų116143.9 Ų143.981%0.81180%0.8SS**  trans-62.5108.3169.542.70000109.7K223 K227K223-S225 PolarHBondContact O-N 3.05Å; S225-K227 PolarHBondContact O-N 3.4Å
226K33.2Very low34.8Very low209 Ų209145.5 Ų145.591%0.90980%0.799SS**  trans-70.7100.7174.5-154174-173173.20108.5K224 K228K224-K226 PolarHBondContact O-N 3.17Å; K224-K226 VanDerWaalsContact O-N 3.14Å; K226-K228 PolarHBondContact O-N 3.42Å
227K30.1Very low34.1Very low189 Ų189148.8 Ų148.882%0.82283%0.827SS**  trans-59.5102.7174.1-174.8172.7-177.1170.40110.3S225 R229S225-K227 PolarHBondContact O-N 3.4Å; K227-R229 PolarHBondContact O-N 2.91Å
228K31.7Very low33.3Very low205 Ų205143.8 Ų143.889%0.89182%0.817SS**  trans-75.1105.5171.6-157.9176.9-174.3179.80108.2K226 G230K226-K228 PolarHBondContact O-N 3.42Å; K228-G230 PolarHBondContact O-N 2.95Å
229R31.6Very low32.5Very low230 Ų230146.3 Ų146.387%0.86883%0.831SS**  trans-69.4125.8169.9-74.6-178.6103.6-160.86.8108.6K227K227-R229 PolarHBondContact O-N 2.91Å
230G32.3Very low31.9Very low78 Ų78150.1 Ų150.180%0.80483%0.833SS**  trans-68.6148.3174.200000112.4K228K228-G230 PolarHBondContact O-N 2.95Å
231R30.9Very low31.3Very low251 Ų251150.9 Ų150.995%0.94783%0.832SS**  trans-137.8111.9160.8-176.6160.5163.3159.4-7.6107.2
232V34.5Very low31Very low137 Ų137157 Ų15783%0.8383%0.827SS**  trans-103.2129.5172.6172.20000108.6
233K31.1Very low30.9Very low208 Ų208163.9 Ų163.990%0.90484%0.839SS**  trans158.8131.4142.4-102.2-178169.4177.20106.9
234G26.9Very low30.6Very low62 Ų62161.2 Ų161.264%0.63983%0.83SS**  cis163.9154.33.500000108.3
235S26.1Very low30.6Very low123 Ų123158.5 Ų158.586%0.8683%0.825SS**  trans58.7143.6162.662.10000118.6
236S25.3Very low30.2Very low105 Ų105156.8 Ų156.873%0.73482%0.817SS**  cis-179.31564.943.90000108.6
237S26.7Very low29.9Very low129 Ų129152 Ų15290%0.90281%0.81SS**  trans68.9135.1151.9-164.60000117.1
238G25.4Very low29.9Very low63 Ų63149.8 Ų149.865%0.64981%0.807SS**  cis163.4158.17.300000109.4
239S28.4Very low29.8Very low116 Ų116148.9 Ų148.981%0.81181%0.805SS**  trans84.5119.1160.7-720000121.9
240K30.1Very low29.5Very low193 Ų193141.6 Ų141.684%0.83980%0.802SS**  41.1132.2126-80.9170.6168.6173.30117.2
241Q30.5Very low29.2Very low185 Ų185145.6 Ų145.686%0.86481%0.805SS**  -178.1155.761.5-161.9163-24.600111.9
242R39.1Very low29.2Very low218 Ų218137.5 Ų137.582%0.82379%0.792SS**  trans-60.6140172176.2-172.8-172.4-152.21.4114.3
243K31.6Very low29Very low207 Ų207136.7 Ų136.790%0.979%0.793SS**  trans-169.2156.9135.5-121.5179.7176.5-175.30115
244E29.9Very low29.2Very low151 Ų151132.8 Ų132.871%0.70679%0.788SS**  trans-73.2157.9-166.7-107.9170.182.800118.2
245L30.9Very low29.3Very low154 Ų154138.5 Ų138.581%0.80680%0.799SS**  trans42.2135.2134.9-100.795.4000123.6
246A27.9Very low29.7Very low79 Ų79141.2 Ų141.265%0.65380%0.798SS**  112.9123.3126.100000118.7
247S27.6Very low30Very low108 Ų108144.4 Ų144.476%0.75580%0.801SS**  trans69.2151.3141.4-58.30000118.1
248L30.1Very low30.4Very low144 Ų144146 Ų14675%0.75479%0.794SS**  cis-174.4157.4-10.6-106.8171.3000103.9
249E28.6Very low30.6Very low185 Ų185146.7 Ų146.786%0.86480%0.801SS**  trans84.8127.6153.7-69.6174.5132.500123.2
250G26.2Very low31.1Very low78 Ų78146.4 Ų146.480%0.80479%0.794SS**  trans83.6140.4142.100000116.9
251D26.7Very low31.6Very low161 Ų161146.5 Ų146.586%0.86180%0.798SS**  cis-174.1166.80-171.8-111.9000106.6
252A29.6Very low31.8Very low82 Ų82147.2 Ų147.268%0.67880%0.798SS**  trans7894158.300000120.2
253S29.9Very low31.9Very low120 Ų120141.3 Ų141.384%0.83980%0.796SS**  trans-85.5143.1139.2-72.60000109.4
254P35.3Very low32.5Very low125 Ų125136.8 Ų136.881%0.81279%0.79SS**  trans-107122.8147.512.76.3000109.9
255E30.3Very low32.9Very low183 Ų183135.6 Ų135.686%0.85580%0.796SS**  trans-70.7177.5152.1-61.5-176.8111.900109.6
256E32.9Very low33.6Very low180 Ų180136 Ų13684%0.84180%0.798SS**  trans99.9126.5177.4-61.5-172.8179.300114
257E32.8Very low34.5Very low171 Ų171137.9 Ų137.980%0.79980%0.803SS**  cis-156.415720.7-96.8-123.8135.500112.9
258E34.6Very low35.1Very low163 Ų163141.9 Ų141.976%0.76281%0.81SS**  trans-57.2149.3164.1-78.9-151.8135.500113.7
259G30.3Very low36.2Very low77 Ų77140.3 Ų140.379%0.79481%0.811SS**  trans-133.470166.500000111.1Q261G259-Q261 PolarHBondContact O-N 3.45Å
260V39.1Very low37.3Very low111 Ų111137 Ų13767%0.67381%0.805SS**PPolyproline II helixtrans-70.2117.6168.3173.50000109
261Q40.1Very low38.6Very low195 Ų195139.4 Ų139.491%0.91181%0.807SS**PPolyproline II helixtrans-88.5121.9168.5-72-169.7-5.300111.1G259G259-Q261 PolarHBondContact O-N 3.45Å
262K35.3Very low39.7Very low199 Ų199139.7 Ų139.787%0.86581%0.808SS**PPolyproline II helixtrans-60.1124.3-173.3-156.5172.2-173.1173.80113
263A40.5Very low40.7Very low95 Ų95144.4 Ų144.479%0.78582%0.816SS**PPolyproline II helixtrans-73.6136.7164.700000110.6
264S44.6Very low41.4Very low112 Ų112150.6 Ų150.678%0.78384%0.838SS**PPolyproline II helixtrans-85.4142.7169-63.60000110.6
265P38.8Very low41.7Very low125 Ų125151.9 Ų151.981%0.81284%0.84SS**PPolyproline II helixtrans-78.5133.4179.8-522.6000111.4
266L44.7Very low42.3Very low163 Ų163150.2 Ų150.285%0.85384%0.839SS**PPolyproline II helixtrans-84.8138.2166.9-72.5169000110.1
267P47.8Very low42.8Very low118 Ų118148.6 Ų148.677%0.76684%0.839SS**PPolyproline II helixtrans-78.3139.5176.530.6-31.9000111.9
268H38.3Very low43.4Very low192 Ų192147.2 Ų147.289%0.88984%0.841SS**PPolyproline II helixtrans-68.4137170.3-73.5-84.9000111.2
269S53.5Low44Very low111 Ų111146.3 Ų146.378%0.77685%0.846SS**PPolyproline II helixtrans-95.3142.8162.8-57.90000110
270P52.6Low44.9Very low116 Ų116150.9 Ų150.975%0.75385%0.85SS**PPolyproline II helixtrans-77.3157.6178.632.2-33.2000111.8
271P53Low45.3Very low128 Ų128153.7 Ų153.783%0.83186%0.862SS**PPolyproline II helixtrans-78.1127.6173.430.7-30.5000110.6
272D50.8Low45.7Very low167 Ų167150.5 Ų150.589%0.89386%0.859SS**PPolyproline II helixtrans-79.2132.4166.3-102.7-49.2000110
273E48.9Very low46.6Very low182 Ų182146.5 Ų146.585%0.8586%0.858SS**PPolyproline II helixtrans-74.9132.3164.6-65.7-162.9107.400110.4
274L45.3Very low47.1Very low249 Ų249151.2 Ų151.2100%1.30487%0.865SS**  trans1800138.6-100.6151.7000111.4

Retrieved 274 of 274 residues in 211 ms (Link to these results)