A0A087YSK0_POEFO Loading...

C1GALT1-specific chaperone 1

AlphaFold DB , UniProt , Accession A0A087YSK0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 319 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
1M50.7Low62.6Low241 Ų241125.1 Ų125.1100%1.18771%0.709SS**  081.20-68.2175.995.900109.1
2L52.8Low63.9Low182 Ų182124.8 Ų124.895%0.95370%0.699SS**  trans-152.777.8176-80.3173.6000107.9
3S54.8Low65.1Low112 Ų112122.4 Ų122.478%0.78369%0.689SS**SBendtrans-149.3-14.1172.4-164.10000113.9
4E55.8Low66.1Low181 Ų181122.4 Ų122.485%0.84669%0.686SS**SBendtrans-88.7-16.8-178.1-71.9180154.200114.6G6E4-G6 PolarHBondContact O-N 2.78Å
5G55.1Low66.9Low52 Ų52116.5 Ų116.554%0.53666%0.664SS.*Hα-helixtrans-73.2-22.9-178.800000114.8M9G5-M9 VanDerWaalsContact O-CG 3.32Å; G5-M9 WeakPolarHBondContact O-CG 3.46Å; G5-M9 PolarHBondContact O-N 3.47Å
6G64.3Low67.6Low45 Ų45111.4 Ų111.446%0.46464%0.644SS.*Hα-helixtrans-71.2-37.2-176.200000113.5E4 K10E4-G6 PolarHBondContact O-N 2.78Å; G6-K10 VanDerWaalsContact O-CG 3.32Å; G6-K10 WeakPolarHBondContact O-CG 3.45Å; G6-K10 PolarHBondContact O-N 2.85Å
7S65.6Low68.3Low94 Ų94110.6 Ų110.666%0.65764%0.637SS**Hα-helixtrans-74.9-36.4-180-62.90000112.1K10 G11S7-K10 PolarHBondContact O-N 3.08Å; S7-G11 PolarHBondContact O-N 3.24Å
8F70.2Confident68.8Low145 Ų145111.9 Ų111.964%0.63663%0.634SS**Hα-helixtrans-66.9-44.6176.6-177.1-102.6000112K10 G11 M12F8-K10 VanDerWaalsContact C-N 3.35Å; F8-K10 PolarHBondContact O-N 3.2Å; F8-G11 PolarHBondContact O-N 3.48Å; F8-M12 HydrophobicContact CD1-SD 4.09Å; F8-M12 HydrophobicContact CE1-CG 4.1Å; F8-M12 HydrophobicContact CE1-SD 3.37Å; F8-M12 WeakPolarHBondContact CE1-SD 3.36Å; F8-M12 HydrophobicContact CZ-CG 4.21Å; F8-M12 HydrophobicContact CZ-SD 3.81Å; F8-M12 PolarHBondContact O-N 2.99Å
9M71.8Confident68.9Low131 Ų131110.3 Ų110.365%0.64563%0.629SS**Hα-helixtrans-63.1-39.4176.2-72.1-110.2-71.800112.2G5 M12 V13G5-M9 VanDerWaalsContact O-CG 3.32Å; G5-M9 WeakPolarHBondContact O-CG 3.46Å; G5-M9 PolarHBondContact O-N 3.47Å; M9-M12 PolarHBondContact O-N 3.29Å; M9-V13 VanDerWaalsContact O-CG2 3.31Å; M9-V13 WeakPolarHBondContact O-CG2 3.49Å; M9-V13 PolarHBondContact O-N 2.99Å
10K73.9Confident69.3Low151 Ų151109.9 Ų109.966%0.65763%0.625SS**Hα-helixtrans-63.5-40.2173.6-76.2177.3179.7-178.10112.1G6 S7 F8 V13 L14G6-K10 VanDerWaalsContact O-CG 3.32Å; G6-K10 WeakPolarHBondContact O-CG 3.45Å; G6-K10 PolarHBondContact O-N 2.85Å; S7-K10 PolarHBondContact O-N 3.08Å; F8-K10 VanDerWaalsContact C-N 3.35Å; F8-K10 PolarHBondContact O-N 3.2Å; K10-V13 PolarHBondContact O-N 3.38Å; K10-L14 WeakPolarHBondContact O-CB 3.34Å; K10-L14 PolarHBondContact O-N 3.48Å
11G73.8Confident69.5Low42 Ų42108.2 Ų108.243%0.43362%0.617SS.*Hα-helixtrans-62.9-43175.100000112.9S7 F8 L14 G15S7-G11 PolarHBondContact O-N 3.24Å; F8-G11 PolarHBondContact O-N 3.48Å; G11-L14 PolarHBondContact O-N 2.78Å; G11-G15 PolarHBondContact O-N 2.93Å
12M78.4Confident70.4Confident121 Ų121101.1 Ų101.160%0.59658%0.583SS**Hα-helixtrans-64.5-40.4175.8-78.3-172.867.200112.7F8 M9 G16F8-M12 HydrophobicContact CD1-SD 4.09Å; F8-M12 HydrophobicContact CE1-CG 4.1Å; F8-M12 HydrophobicContact CE1-SD 3.37Å; F8-M12 WeakPolarHBondContact CE1-SD 3.36Å; F8-M12 HydrophobicContact CZ-CG 4.21Å; F8-M12 HydrophobicContact CZ-SD 3.81Å; F8-M12 PolarHBondContact O-N 2.99Å; M9-M12 PolarHBondContact O-N 3.29Å; M12-G16 PolarHBondContact O-N 2.82Å
13V79.8Confident71.1Confident94 Ų9495.5 Ų95.557%0.5756%0.559SS**Hα-helixtrans-67.6-42.3178.2172.70000111.2M9 K10 G16 L17M9-V13 VanDerWaalsContact O-CG2 3.31Å; M9-V13 WeakPolarHBondContact O-CG2 3.49Å; M9-V13 PolarHBondContact O-N 2.99Å; K10-V13 PolarHBondContact O-N 3.38Å; V13-G16 PolarHBondContact O-N 3.32Å; V13-L17 HydrophobicContact CG1-CD1 4.07Å; V13-L17 WeakPolarHBondContact O-CB 3.38Å; V13-L17 PolarHBondContact O-N 3.27Å
14L78.8Confident71.6Confident123 Ų12395.1 Ų95.164%0.64455%0.547SS*.Hα-helixtrans-65.5-42.4175.7-83.9159.3000112.3K10 G11 L17 F18K10-L14 WeakPolarHBondContact O-CB 3.34Å; K10-L14 PolarHBondContact O-N 3.48Å; G11-L14 PolarHBondContact O-N 2.78Å; L14-L17 PolarHBondContact O-N 2.93Å; L14-F18 WeakPolarHBondContact O-CB 3.47Å; L14-F18 PolarHBondContact O-N 3.31Å
15G77.6Confident71.7Confident34 Ų3491.8 Ų91.835%0.35154%0.535SS..Hα-helixtrans-64.7-40.5175.200000112.6G11 F18 C19G11-G15 PolarHBondContact O-N 2.93Å; G15-F18 PolarHBondContact O-N 3.47Å; G15-C19 WeakPolarHBondContact O-CB 2.85Å; G15-C19 PolarHBondContact O-N 2.99Å; G15-C19 PolarHBondContact O-SG 3.06Å; G15-C19 VanDerWaalsContact O-SG 3.4Å
16G78.8Confident71.4Confident34 Ų3491.6 Ų91.635%0.35153%0.533SS..Hα-helixtrans-64.7-43175.100000113M12 V13 C19 L20M12-G16 PolarHBondContact O-N 2.82Å; V13-G16 PolarHBondContact O-N 3.32Å; G16-C19 PolarHBondContact O-N 3.19Å; G16-L20 WeakPolarHBondContact O-CB 3.34Å; G16-L20 WeakPolarHBondContact O-CG 3.39Å; G16-L20 PolarHBondContact O-N 3.16Å
17L79.2Confident70.5Confident99 Ų9993.5 Ų93.552%0.51854%0.539SS..Hα-helixtrans-62.3-41.9173.4-87.3159.8000111.8V13 L14 L20 V21V13-L17 HydrophobicContact CG1-CD1 4.07Å; V13-L17 WeakPolarHBondContact O-CB 3.38Å; V13-L17 PolarHBondContact O-N 3.27Å; L14-L17 PolarHBondContact O-N 2.93Å; L17-L20 PolarHBondContact O-N 2.75Å; L17-V21 VanDerWaalsContact O-CG2 3.28Å; L17-V21 WeakPolarHBondContact O-CG2 3.3Å; L17-V21 PolarHBondContact O-N 3.25Å
18F76.9Confident69.3Low134 Ų13497 Ų9759%0.58854%0.543SS*.Hα-helixtrans-64.4-42.9177.1-174.4-104.2000112.2L14 G15 V21 L22L14-F18 WeakPolarHBondContact O-CB 3.47Å; L14-F18 PolarHBondContact O-N 3.31Å; G15-F18 PolarHBondContact O-N 3.47Å; F18-V21 PolarHBondContact O-N 2.87Å; F18-L22 HydrophobicContact CD1-CD1 3.75Å; F18-L22 HydrophobicContact CD1-CG 4.48Å; F18-L22 HydrophobicContact CE1-CD1 3.28Å; F18-L22 HydrophobicContact CE1-CG 4.16Å; F18-L22 HydrophobicContact CZ-CD1 3.75Å; F18-L22 HydrophobicContact CZ-CG 4.27Å; F18-L22 WeakPolarHBondContact O-CB 3.46Å; F18-L22 PolarHBondContact O-N 3.42Å
19C71.9Confident67.8Low80 Ų8094.3 Ų94.354%0.54154%0.542SS..Hα-helixtrans-65.9-36.8175.1-73.40000112.7G15 G16 L22 S23G15-C19 WeakPolarHBondContact O-CB 2.85Å; G15-C19 PolarHBondContact O-N 2.99Å; G15-C19 PolarHBondContact O-SG 3.06Å; G15-C19 VanDerWaalsContact O-SG 3.4Å; G16-C19 PolarHBondContact O-N 3.19Å; C19-L22 PolarHBondContact O-N 3.3Å; C19-S23 WeakPolarHBondContact O-CB 3.46Å; C19-S23 PolarHBondContact O-N 3.17Å; C19-S23 PolarHBondContact O-OG 2.94Å
20L75.1Confident66Low103 Ų10393.6 Ų93.654%0.53955%0.547SS..Hα-helixtrans-67.3-38.8174.3-82167.5000112.2G16 L17 S23 L24G16-L20 WeakPolarHBondContact O-CB 3.34Å; G16-L20 WeakPolarHBondContact O-CG 3.39Å; G16-L20 PolarHBondContact O-N 3.16Å; L17-L20 PolarHBondContact O-N 2.75Å; L20-S23 WeakPolarHBondContact CA-OG 3.34Å; L20-S23 PolarHBondContact O-N 2.96Å; L20-S23 PolarHBondContact O-OG 2.72Å; L20-L24 VanDerWaalsContact O-CB 3.26Å; L20-L24 WeakPolarHBondContact O-CB 3.36Å; L20-L24 WeakPolarHBondContact O-CD1 3.39Å; L20-L24 VanDerWaalsContact O-CG 3.27Å; L20-L24 WeakPolarHBondContact O-CG 3.19Å; L20-L24 PolarHBondContact O-N 3.47Å
21V73.6Confident63.9Low75 Ų7590.5 Ų90.546%0.45555%0.55SS..Hα-helixtrans-68-41.3175.2171.10000110.8L17 F18 L24 L25L17-V21 VanDerWaalsContact O-CG2 3.28Å; L17-V21 WeakPolarHBondContact O-CG2 3.3Å; L17-V21 PolarHBondContact O-N 3.25Å; F18-V21 PolarHBondContact O-N 2.87Å; V21-L24 PolarHBondContact O-N 3.41Å; V21-L25 HydrophobicContact CG1-CD1 3.77Å; V21-L25 HydrophobicContact CG1-CG 4.36Å; V21-L25 WeakPolarHBondContact O-CB 3.37Å; V21-L25 VanDerWaalsContact O-CG 3.23Å; V21-L25 WeakPolarHBondContact O-CG 3.46Å; V21-L25 PolarHBondContact O-N 3.22Å
22L69.7Low62Low92 Ų9294.8 Ų94.848%0.48257%0.568SS.*Hα-helixtrans-66.6-36.1175.1-78.8174.8000112.9F18 C19 G26F18-L22 HydrophobicContact CD1-CD1 3.75Å; F18-L22 HydrophobicContact CD1-CG 4.48Å; F18-L22 HydrophobicContact CE1-CD1 3.28Å; F18-L22 HydrophobicContact CE1-CG 4.16Å; F18-L22 HydrophobicContact CZ-CD1 3.75Å; F18-L22 HydrophobicContact CZ-CG 4.27Å; F18-L22 WeakPolarHBondContact O-CB 3.46Å; F18-L22 PolarHBondContact O-N 3.42Å; C19-L22 PolarHBondContact O-N 3.3Å; L22-G26 PolarHBondContact O-N 2.85Å
23S69.1Low59.6Low64 Ų6496.1 Ų96.145%0.44857%0.572SS.*Hα-helixtrans-74.1-34.2175.560.80000112.2C19 L20 G26 S27C19-S23 WeakPolarHBondContact O-CB 3.46Å; C19-S23 PolarHBondContact O-N 3.17Å; C19-S23 PolarHBondContact O-OG 2.94Å; L20-S23 WeakPolarHBondContact CA-OG 3.34Å; L20-S23 PolarHBondContact O-N 2.96Å; L20-S23 PolarHBondContact O-OG 2.72Å; S23-G26 PolarHBondContact O-N 3.03Å; S23-S27 WeakPolarHBondContact O-CB 3.42Å; S23-S27 PolarHBondContact O-N 3.49Å; S23-S27 PolarHBondContact O-OG 3.4Å
24L63.6Low57.3Low103 Ų10397 Ų9754%0.53958%0.583SS.*Hα-helixtrans-66.4-39170-79.2160.7000112L20 V21 S27 F28L20-L24 VanDerWaalsContact O-CB 3.26Å; L20-L24 WeakPolarHBondContact O-CB 3.36Å; L20-L24 WeakPolarHBondContact O-CD1 3.39Å; L20-L24 VanDerWaalsContact O-CG 3.27Å; L20-L24 WeakPolarHBondContact O-CG 3.19Å; L20-L24 PolarHBondContact O-N 3.47Å; V21-L24 PolarHBondContact O-N 3.41Å; L24-S27 WeakPolarHBondContact CA-OG 3.29Å; L24-S27 PolarHBondContact O-OG 2.99Å; L24-S27 VanDerWaalsContact O-OG 3.14Å; L24-F28 WeakPolarHBondContact O-CD2 3.4Å; L24-F28 PolarHBondContact O-N 3.08Å
25L59.4Low54.8Low112 Ų112100 Ų10059%0.58659%0.586SS**Hα-helixtrans-73.5-33.4174.9-71.2168.8000112.4V21 F28V21-L25 HydrophobicContact CG1-CD1 3.77Å; V21-L25 HydrophobicContact CG1-CG 4.36Å; V21-L25 WeakPolarHBondContact O-CB 3.37Å; V21-L25 VanDerWaalsContact O-CG 3.23Å; V21-L25 WeakPolarHBondContact O-CG 3.46Å; V21-L25 PolarHBondContact O-N 3.22Å; L25-F28 PolarHBondContact O-N 3.44Å
26G49Very low52.9Low48 Ų48104.7 Ų104.750%0.49561%0.607SS.*Hα-helixtrans-74.6-22.6175.100000114.1L22 S23 F28 S29L22-G26 PolarHBondContact O-N 2.85Å; S23-G26 PolarHBondContact O-N 3.03Å; G26-F28 VanDerWaalsContact C-N 3.33Å; G26-S29 PolarHBondContact O-N 3.02Å; G26-S29 PolarHBondContact O-OG 3.43Å
27S45.5Very low50.8Low85 Ų85108.7 Ų108.759%0.59462%0.621SS**THydrogen-bonded Turntrans-84-6.9171.8410000113.4S23 L24 S29S23-S27 WeakPolarHBondContact O-CB 3.42Å; S23-S27 PolarHBondContact O-N 3.49Å; S23-S27 PolarHBondContact O-OG 3.4Å; L24-S27 WeakPolarHBondContact CA-OG 3.29Å; L24-S27 PolarHBondContact O-OG 2.99Å; L24-S27 VanDerWaalsContact O-OG 3.14Å; S27-S29 VanDerWaalsContact C-N 3.27Å; S27-S29 PolarHBondContact O-N 3.43Å
28F39.3Very low48.9Very low166 Ų166108.1 Ų108.173%0.72864%0.639SS**  trans-92.754.2155.5-68.1-72.1000110.6L24 L25 G26L24-F28 WeakPolarHBondContact O-CD2 3.4Å; L24-F28 PolarHBondContact O-N 3.08Å; L25-F28 PolarHBondContact O-N 3.44Å; G26-F28 VanDerWaalsContact C-N 3.33Å
29S38.3Very low47Very low89 Ų89107.4 Ų107.462%0.62264%0.642SS**  trans-70.5122.5148.5-66.50000105.5G26 S27 A31G26-S29 PolarHBondContact O-N 3.02Å; G26-S29 PolarHBondContact O-OG 3.43Å; S27-S29 VanDerWaalsContact C-N 3.27Å; S27-S29 PolarHBondContact O-N 3.43Å; S29-A31 VanDerWaalsContact C-N 3.27Å; S29-A31 PolarHBondContact O-N 2.73Å
30P34.7Very low45.5Very low117 Ų117110.4 Ų110.476%0.7665%0.652SS**  trans-60.3106.2163.43.78.5000104.5T32P30-T32 PolarHBondContact O-N 3.43Å
31A29.9Very low44.4Very low85 Ų85110.7 Ų110.770%0.70265%0.651SS**  trans-54.9104.8156.500000104.3S29 E33S29-A31 VanDerWaalsContact C-N 3.27Å; S29-A31 PolarHBondContact O-N 2.73Å; A31-E33 PolarHBondContact O-N 2.81Å
32T33Very low43.7Very low133 Ų133114.8 Ų114.882%0.81666%0.664SS**  trans-64.478.5156.339.20000105.6P30 S34P30-T32 PolarHBondContact O-N 3.43Å; T32-S34 VanDerWaalsContact C-N 3.26Å; T32-S34 PolarHBondContact O-N 3.21Å
33E27.9Very low43.9Very low148 Ų148111.5 Ų111.569%0.69265%0.646SS**  trans-55.3104.6147.9-78.2-173.8159.400104.6A31 R35A31-E33 PolarHBondContact O-N 2.81Å; E33-R35 PolarHBondContact O-N 3.42Å
34S31.9Very low44.5Very low113 Ų113113.6 Ų113.679%0.7965%0.649SS**  trans-67.474.9160.9620000107.1T32 T36T32-S34 VanDerWaalsContact C-N 3.26Å; T32-S34 PolarHBondContact O-N 3.21Å; S34-T36 PolarHBondContact O-N 3.13Å; S34-T36 VanDerWaalsContact O-N 3.14Å
35R26.4Very low45.6Very low187 Ų187112.5 Ų112.571%0.70664%0.641SS**  trans-60.5109.9153.5-92.2-177.3173.4171.1-1.5105.7E33 D37E33-R35 PolarHBondContact O-N 3.42Å; R35-D37 PolarHBondContact O-N 3.33Å
36T38.6Very low46.9Very low131 Ų131107.2 Ų107.280%0.80461%0.613SS**  trans-62.972.6154.247.10000108.1S34S34-T36 PolarHBondContact O-N 3.13Å; S34-T36 VanDerWaalsContact O-N 3.14Å
37D34.5Very low48.7Very low118 Ų118109.7 Ų109.763%0.63161%0.61SS**  trans-98.7130.1154.8-82.1-37.5000105.4R35 N39R35-D37 PolarHBondContact O-N 3.33Å; D37-N39 VanDerWaalsContact C-N 3.35Å; D37-N39 PolarHBondContact O-N 2.93Å
38G38.2Very low50.7Low88 Ų88106.9 Ų106.991%0.90759%0.592SS**  trans-53.994.8-176.600000111.4D40G38-D40 PolarHBondContact O-N 3.47Å
39N37.1Very low52.9Low119 Ų11999.2 Ų99.264%0.63656%0.559SS**  trans-69.3108.3158.6-104.61.4000105.2D37 H41D37-N39 VanDerWaalsContact C-N 3.35Å; D37-N39 PolarHBondContact O-N 2.93Å; N39-H41 PolarHBondContact O-CD2 3.07Å; N39-H41 PolarHBondContact O-N 2.88Å
40D41.8Very low55.1Low142 Ų14297.4 Ų97.476%0.75955%0.547SS*.  trans-52.988150.9-106.6-22.6000106.4G38 H42G38-D40 PolarHBondContact O-N 3.47Å; D40-H42 PolarHBondContact O-N 3.2Å
41H50.4Low57.5Low110 Ų11097 Ų9751%0.50953%0.533SS..  trans-72.2103.8172.3-70.9-75.7000105.4N39 H43N39-H41 PolarHBondContact O-CD2 3.07Å; N39-H41 PolarHBondContact O-N 2.88Å; H41-H43 VanDerWaalsContact CB-CD2 3.4Å; H41-H43 WeakPolarHBondContact CB-CD2 3.49Å; H41-H43 PolarHBondContact O-N 3.44Å
42H59.8Low60.1Low160 Ų16098.2 Ų98.274%0.74153%0.528SS*.  trans-64.379.5172.2-62.5-53.1000109.7D40D40-H42 PolarHBondContact O-N 3.2Å
43H73.9Confident62.6Low23 Ų2397 Ų9711%0.10651%0.513CS..  trans-112.9158.1169.8-68.1-54000108.2H41 H45 E180 N237H41-H43 VanDerWaalsContact CB-CD2 3.4Å; H41-H43 WeakPolarHBondContact CB-CD2 3.49Å; H41-H43 PolarHBondContact O-N 3.44Å; H43-H45 PolarHBondContact O-CD2 3.43Å; H43-H45 PolarHBondContact O-NE2 3.25Å; H43-E180 IonicContact CE1-OE1 3.24Å; H43-E180 IonicContact CG-OE1 2.74Å; H43-E180 IonicContact ND1-OE1 2.74Å; H43-E180 PolarHBondContact ND1-OE1 3.13Å; H43-N237 HydrophobicContact CB-CB 4.47Å
44H82.1Confident65.4Low108 Ų10890 Ų9050%0.548%0.48SS..EExtended strand (participates in β ladder)trans-75.6132.5163-71.3-88.9000108E236 N237H44-E236 HydrophobicContact CB-CG 3.95Å; H44-E236 CarbonylContact O-C 3.53Å; H44-E236 WeakPolarHBondContact O-CA 3.3Å; H44-N237 PolarHBondContact O-N 3.08Å
45H86.1Confident68Low81 Ų8190.2 Ų90.238%0.37547%0.469SS..EExtended strand (participates in β ladder)trans-112.1140.3-177.8-60.8-99.4000110.5H43 N237 E239H43-H45 PolarHBondContact O-CD2 3.43Å; H43-H45 PolarHBondContact O-NE2 3.25Å; H45-N237 CarbonylContact C-O 3.53Å; H45-N237 WeakPolarHBondContact CA-O 3.45Å; H45-E239 IonicContact CE1-OE1 3.31Å; H45-E239 PolarHBondContact CE1-OE1 3.27Å; H45-E239 VanDerWaalsContact CE1-OE1 3.24Å; H45-E239 IonicContact CE1-OE2 3.99Å; H45-E239 IonicContact CG-OE2 3.61Å; H45-E239 IonicContact ND1-OE1 2.77Å; H45-E239 PolarHBondContact ND1-OE1 3.44Å; H45-E239 IonicContact ND1-OE2 3.79Å; H45-E239 PolarHBondContact ND1-OE2 3.36Å
46V86.2Confident71.1Confident0 Ų089 Ų890%047%0.471CS..EExtended strand (participates in β ladder)trans-113.7128.7171.1175.20000109.1L158 E236 N237 E239V46-L158 HydrophobicContact CG1-CD1 3.72Å; V46-L158 HydrophobicContact CG1-CG 4Å; V46-E236 HydrophobicContact CG2-CB 3.55Å; V46-E236 HydrophobicContact CG2-CG 4.01Å; V46-E236 WeakPolarHBondContact CG2-OE2 3.31Å; V46-N237 PolarHBondContact N-O 2.96Å; V46-E239 PolarHBondContact O-N 3Å; V46-E239 VanDerWaalsContact O-O 3.08Å
47K87.6Confident73.3Confident100 Ų10085.5 Ų85.544%0.43545%0.447SS..  trans-118.1147.4168.1-58.4-174.7176.2-170.80108.2D240 V241K47-D240 VanDerWaalsContact CE-O 3.3Å; K47-D240 WeakPolarHBondContact CE-O 3.25Å; K47-V241 PolarHBondContact NZ-O 2.85Å
48A86.7Confident75.9Confident26 Ų2683 Ų8322%0.21544%0.439CS..PPolyproline II helixtrans-63.6155.6169.900000110.2S50 Y157 L158A48-S50 PolarHBondContact O-N 2.97Å; A48-Y157 HydrophobicContact CB-CD1 3.39Å; A48-Y157 HydrophobicContact CB-CE1 3.17Å; A48-Y157 HydrophobicContact CB-CG 4.2Å; A48-L158 HydrophobicContact CB-CD1 4.3Å
49A85.3Confident78.2Confident5 Ų585.5 Ų85.54%0.04143%0.432CS..PPolyproline II helixtrans-57.5136.3173.300000110.2L54 Y157 T161A49-L54 HydrophobicContact CB-CD1 4.47Å; A49-L54 HydrophobicContact CB-CD2 3.76Å; A49-L54 HydrophobicContact CB-CG 3.91Å; A49-Y157 PolarHBondContact O-OH 3.49Å; A49-T161 HydrophobicContact CB-CG2 3.73Å
50S85.9Confident80.6Confident51 Ų5184.1 Ų84.136%0.35743%0.431SS..PPolyproline II helixtrans-69.8160175.364.50000111.5A48 D52 E53 L54A48-S50 PolarHBondContact O-N 2.97Å; S50-D52 PolarHBondContact O-N 3.09Å; S50-E53 WeakPolarHBondContact CB-OE2 3.43Å; S50-E53 PolarHBondContact N-OE2 3.29Å; S50-E53 PolarHBondContact O-N 3.47Å; S50-E53 VanDerWaalsContact O-N 3.15Å; S50-E53 WeakPolarHBondContact OG-CB 3.34Å; S50-E53 VanDerWaalsContact OG-CD 3.31Å; S50-E53 VanDerWaalsContact OG-CG 3.23Å; S50-E53 WeakPolarHBondContact OG-CG 3.48Å; S50-E53 PolarHBondContact OG-N 3.13Å; S50-E53 PolarHBondContact OG-OE2 3.16Å; S50-L54 WeakPolarHBondContact O-CG 3.4Å; S50-L54 PolarHBondContact O-N 3.21Å
51K84.1Confident82.8Confident110 Ų11082.2 Ų82.248%0.47841%0.413SS..Hα-helixtrans-55.5-40.2175.4-165.6176-178160.40112L54 Q55 L307K51-L54 PolarHBondContact O-N 2.76Å; K51-Q55 WeakPolarHBondContact O-CB 3.48Å; K51-Q55 VanDerWaalsContact O-CG 3.28Å; K51-Q55 WeakPolarHBondContact O-CG 3.28Å; K51-Q55 PolarHBondContact O-N 3.45Å; K51-L307 HydrophobicContact CB-CD1 4.45Å; K51-L307 HydrophobicContact CG-CD1 3.55Å; K51-L307 HydrophobicContact CG-CG 4.13Å
52D85.3Confident84.5Confident110 Ų11077.6 Ų77.659%0.58839%0.392SS*.Hα-helixtrans-68.2-38179.9-64.4-15.3000111.8S50 Q56S50-D52 PolarHBondContact O-N 3.09Å; D52-Q56 WeakPolarHBondContact O-CG 3.45Å; D52-Q56 PolarHBondContact O-N 2.97Å
53E85.3Confident85.7Confident106 Ų10674.5 Ų74.550%0.49538%0.378SS..Hα-helixtrans-66.4-42.1174-73.8166.2132.500111.4S50 Q56S50-E53 WeakPolarHBondContact CB-OE2 3.43Å; S50-E53 PolarHBondContact N-OE2 3.29Å; S50-E53 PolarHBondContact O-N 3.47Å; S50-E53 VanDerWaalsContact O-N 3.15Å; S50-E53 WeakPolarHBondContact OG-CB 3.34Å; S50-E53 VanDerWaalsContact OG-CD 3.31Å; S50-E53 VanDerWaalsContact OG-CG 3.23Å; S50-E53 WeakPolarHBondContact OG-CG 3.48Å; S50-E53 PolarHBondContact OG-N 3.13Å; S50-E53 PolarHBondContact OG-OE2 3.16Å; E53-Q56 WeakPolarHBondContact O-CB 3.22Å; E53-Q56 PolarHBondContact O-N 3.33Å
54L86.5Confident86.3Confident3 Ų377.1 Ų77.12%0.01639%0.391CS..Hα-helixtrans-67.2-36.9177.7-66.9177.8000112.1A49 S50 K51 Q56 L57 L62 Y157 L160 T161 L307A49-L54 HydrophobicContact CB-CD1 4.47Å; A49-L54 HydrophobicContact CB-CD2 3.76Å; A49-L54 HydrophobicContact CB-CG 3.91Å; S50-L54 WeakPolarHBondContact O-CG 3.4Å; S50-L54 PolarHBondContact O-N 3.21Å; K51-L54 PolarHBondContact O-N 2.76Å; L54-Q56 PolarHBondContact O-N 3.49Å; L54-L57 HydrophobicContact CD2-CD1 4.15Å; L54-L57 WeakPolarHBondContact O-CB 3.45Å; L54-L57 PolarHBondContact O-N 2.73Å; L54-L62 HydrophobicContact CB-CD2 4.38Å; L54-L62 HydrophobicContact CD2-CD2 3.88Å; L54-Y157 HydrophobicContact CD1-CE2 3.76Å; L54-L160 HydrophobicContact CD2-CD2 3.82Å; L54-T161 HydrophobicContact CD2-CG2 4.34Å; L54-L307 HydrophobicContact CB-CD1 3.68Å; L54-L307 HydrophobicContact CD1-CD1 4.4Å
55Q87.3Confident86.5Confident116 Ų11673.2 Ų73.254%0.54237%0.373SS..Hα-helixtrans-65.7-20174.9-77.3177.3-10.500113.7K51 L57 L307K51-Q55 WeakPolarHBondContact O-CB 3.48Å; K51-Q55 VanDerWaalsContact O-CG 3.28Å; K51-Q55 WeakPolarHBondContact O-CG 3.28Å; K51-Q55 PolarHBondContact O-N 3.45Å; Q55-L57 VanDerWaalsContact C-N 3.3Å; Q55-L307 HydrophobicContact CG-CD1 3.92Å; Q55-L307 HydrophobicContact CG-CD2 4.29Å
56Q89.5Confident86.4Confident162 Ų16270.3 Ų70.376%0.75736%0.36SS*.THydrogen-bonded Turntrans-79.2-15.4173.5-69.3171.430.100112.6D52 E53 L54D52-Q56 WeakPolarHBondContact O-CG 3.45Å; D52-Q56 PolarHBondContact O-N 2.97Å; E53-Q56 WeakPolarHBondContact O-CB 3.22Å; E53-Q56 PolarHBondContact O-N 3.33Å; L54-Q56 PolarHBondContact O-N 3.49Å
57L86.6Confident86.3Confident57 Ų5775.4 Ų75.430%0.29839%0.388SS..SBendtrans-83.4140.4175-60.9177.1000110.1L54 Q55 R61 L62 L65L54-L57 HydrophobicContact CD2-CD1 4.15Å; L54-L57 WeakPolarHBondContact O-CB 3.45Å; L54-L57 PolarHBondContact O-N 2.73Å; Q55-L57 VanDerWaalsContact C-N 3.3Å; L57-R61 HydrophobicContact CD2-CG 4.35Å; L57-L62 HydrophobicContact CB-CD1 4.41Å; L57-L62 HydrophobicContact CB-CD2 3.8Å; L57-L62 HydrophobicContact CB-CG 3.78Å; L57-L62 HydrophobicContact CD1-CD2 3.62Å; L57-L62 HydrophobicContact CD1-CG 4.45Å; L57-L62 HydrophobicContact CG-CD2 4.31Å; L57-L65 HydrophobicContact CD1-CD1 4.04Å
58S88.3Confident86.3Confident66 Ų6676.3 Ų76.346%0.46239%0.393SS..  trans-64.3148.3170.965.70000111.1S60 R61 L62S58-S60 PolarHBondContact O-N 3.05Å; S58-S60 VanDerWaalsContact O-N 3.16Å; S58-S60 PolarHBondContact OG-OG 2.84Å; S58-S60 VanDerWaalsContact OG-OG 3.06Å; S58-R61 WeakPolarHBondContact O-CA 3.31Å; S58-R61 WeakPolarHBondContact O-CB 3.48Å; S58-R61 PolarHBondContact O-N 3Å; S58-R61 WeakPolarHBondContact OG-CB 3.4Å; S58-R61 PolarHBondContact OG-N 3.11Å; S58-L62 PolarHBondContact O-N 2.84Å
59D86.1Confident86.6Confident141 Ų14175.7 Ų75.775%0.75439%0.386SS*.Hα-helixtrans-52-39.9175.7-61.8-19.2000112.2R61 L62 Q63D59-R61 VanDerWaalsContact C-N 3.32Å; D59-R61 PolarHBondContact O-N 3.37Å; D59-L62 PolarHBondContact O-N 2.93Å; D59-Q63 WeakPolarHBondContact O-CB 3.3Å; D59-Q63 PolarHBondContact O-N 2.94Å
60S88.2Confident87Confident89 Ų8978.9 Ų78.962%0.62240%0.4SS*.Hα-helixtrans-62.9-37.1175.948.60000113.2S58 E64S58-S60 PolarHBondContact O-N 3.05Å; S58-S60 VanDerWaalsContact O-N 3.16Å; S58-S60 PolarHBondContact OG-OG 2.84Å; S58-S60 VanDerWaalsContact OG-OG 3.06Å; S60-E64 WeakPolarHBondContact O-CB 3.37Å; S60-E64 PolarHBondContact O-N 2.94Å
61R88.1Confident87.6Confident102 Ų10276.4 Ų76.439%0.38538%0.383SS..Hα-helixtrans-74.2-39.7178.6-17957.2178.8175.25.3111.1L57 S58 D59 Q63 E64 L65L57-R61 HydrophobicContact CD2-CG 4.35Å; S58-R61 WeakPolarHBondContact O-CA 3.31Å; S58-R61 WeakPolarHBondContact O-CB 3.48Å; S58-R61 PolarHBondContact O-N 3Å; S58-R61 WeakPolarHBondContact OG-CB 3.4Å; S58-R61 PolarHBondContact OG-N 3.11Å; D59-R61 VanDerWaalsContact C-N 3.32Å; D59-R61 PolarHBondContact O-N 3.37Å; R61-Q63 VanDerWaalsContact C-N 3.34Å; R61-E64 WeakPolarHBondContact CD-OE2 3.33Å; R61-E64 IonicContact CZ-OE2 2.92Å; R61-E64 IonicContact NH1-OE1 3.87Å; R61-E64 PolarHBondContact NH1-OE1 3.24Å; R61-E64 IonicContact NH1-OE2 3.01Å; R61-E64 PolarHBondContact NH1-OE2 3.47Å; R61-E64 PolarHBondContact O-N 2.53Å; R61-L65 HydrophobicContact CG-CD1 4.48Å; R61-L65 WeakPolarHBondContact O-CG 3.41Å; R61-L65 PolarHBondContact O-N 2.6Å
62L85.2Confident88.2Confident13 Ų1371.2 Ų71.27%0.06836%0.361CS..Hα-helixtrans-61.9-44.1174.6-71.7173.1000111.1L54 L57 S58 D59 L65 N66 L308L54-L62 HydrophobicContact CB-CD2 4.38Å; L54-L62 HydrophobicContact CD2-CD2 3.88Å; L57-L62 HydrophobicContact CB-CD1 4.41Å; L57-L62 HydrophobicContact CB-CD2 3.8Å; L57-L62 HydrophobicContact CB-CG 3.78Å; L57-L62 HydrophobicContact CD1-CD2 3.62Å; L57-L62 HydrophobicContact CD1-CG 4.45Å; L57-L62 HydrophobicContact CG-CD2 4.31Å; S58-L62 PolarHBondContact O-N 2.84Å; D59-L62 PolarHBondContact O-N 2.93Å; L62-L65 PolarHBondContact O-N 2.84Å; L62-N66 WeakPolarHBondContact O-CB 3.3Å; L62-N66 PolarHBondContact O-N 3.39Å; L62-L308 HydrophobicContact CB-CD2 4.03Å; L62-L308 HydrophobicContact CD2-CD1 4.02Å
63Q84.9Confident88.9Confident95 Ų9566 Ų6644%0.44433%0.333SS..Hα-helixtrans-63.6-43.4175.5-172.262.632.300111.8D59 R61 L65 N66 D67D59-Q63 WeakPolarHBondContact O-CB 3.3Å; D59-Q63 PolarHBondContact O-N 2.94Å; R61-Q63 VanDerWaalsContact C-N 3.34Å; Q63-L65 PolarHBondContact O-N 3.5Å; Q63-N66 WeakPolarHBondContact O-CB 3.23Å; Q63-N66 PolarHBondContact O-N 3.25Å; Q63-D67 PolarHBondContact NE2-OD1 3.46Å; Q63-D67 PolarHBondContact NE2-OD2 3.49Å; Q63-D67 WeakPolarHBondContact O-CB 3.41Å; Q63-D67 PolarHBondContact O-N 2.93Å
64E87.4Confident89.5Confident79 Ų7960.9 Ų60.937%0.36931%0.309SS..Hα-helixtrans-59.8-45.6176.4-174.9-167.9177.800111.9S60 R61 N66 D67 Q68S60-E64 WeakPolarHBondContact O-CB 3.37Å; S60-E64 PolarHBondContact O-N 2.94Å; R61-E64 WeakPolarHBondContact CD-OE2 3.33Å; R61-E64 IonicContact CZ-OE2 2.92Å; R61-E64 IonicContact NH1-OE1 3.87Å; R61-E64 PolarHBondContact NH1-OE1 3.24Å; R61-E64 IonicContact NH1-OE2 3.01Å; R61-E64 PolarHBondContact NH1-OE2 3.47Å; R61-E64 PolarHBondContact O-N 2.53Å; E64-N66 VanDerWaalsContact C-N 3.33Å; E64-N66 PolarHBondContact O-N 3.29Å; E64-D67 PolarHBondContact O-N 2.91Å; E64-Q68 WeakPolarHBondContact O-CB 3.41Å; E64-Q68 VanDerWaalsContact O-CG 3.29Å; E64-Q68 WeakPolarHBondContact O-CG 3.46Å; E64-Q68 PolarHBondContact O-N 3.08Å; E64-Q68 PolarHBondContact OE1-NE2 3.47Å
65L86.6Confident90.1Very high25 Ų2560.8 Ų60.813%0.13131%0.308CS..Hα-helixtrans-60.5-44.6175.7-72173.1000110.8L57 R61 L62 Q63 Q68 L69 L160L57-L65 HydrophobicContact CD1-CD1 4.04Å; R61-L65 HydrophobicContact CG-CD1 4.48Å; R61-L65 WeakPolarHBondContact O-CG 3.41Å; R61-L65 PolarHBondContact O-N 2.6Å; L62-L65 PolarHBondContact O-N 2.84Å; Q63-L65 PolarHBondContact O-N 3.5Å; L65-Q68 PolarHBondContact O-N 2.83Å; L65-L69 VanDerWaalsContact O-CB 3.23Å; L65-L69 WeakPolarHBondContact O-CB 3.06Å; L65-L69 PolarHBondContact O-N 3.26Å; L65-L69 VanDerWaalsContact O-N 3.16Å; L65-L160 HydrophobicContact CB-CD1 3.82Å
66N84.3Confident90.6Very high21 Ų2156.3 Ų56.311%0.11229%0.288CS..Hα-helixtrans-61-47.1178.1-167.218.2000111.9L62 Q63 E64 Q68 L69 T309 F310L62-N66 WeakPolarHBondContact O-CB 3.3Å; L62-N66 PolarHBondContact O-N 3.39Å; Q63-N66 WeakPolarHBondContact O-CB 3.23Å; Q63-N66 PolarHBondContact O-N 3.25Å; E64-N66 VanDerWaalsContact C-N 3.33Å; E64-N66 PolarHBondContact O-N 3.29Å; N66-Q68 VanDerWaalsContact C-N 3.33Å; N66-Q68 PolarHBondContact O-N 2.91Å; N66-L69 PolarHBondContact O-N 3.2Å; N66-T309 PolarHBondContact ND2-O 2.94Å; N66-T309 VanDerWaalsContact ND2-O 3.09Å; N66-F310 WeakPolarHBondContact OD1-CD1 3.37Å; N66-F310 VanDerWaalsContact OD1-CE1 3.27Å; N66-F310 WeakPolarHBondContact OD1-CE1 3.29Å
67D83.9Confident90.9Very high107 Ų10748.7 Ų48.757%0.57225%0.252SS*.Hα-helixtrans-67.7-31.7-177.7-69.4-18.2000112.7Q63 E64Q63-D67 PolarHBondContact NE2-OD1 3.46Å; Q63-D67 PolarHBondContact NE2-OD2 3.49Å; Q63-D67 WeakPolarHBondContact O-CB 3.41Å; Q63-D67 PolarHBondContact O-N 2.93Å; E64-D67 PolarHBondContact O-N 2.91Å
68Q86.4Confident91.2Very high119 Ų11947.5 Ų47.556%0.55625%0.245SC*.Hα-helixtrans-81.4-16.7177.4-71.4174.60.900112.9E64 L65 N66 Q70E64-Q68 WeakPolarHBondContact O-CB 3.41Å; E64-Q68 VanDerWaalsContact O-CG 3.29Å; E64-Q68 WeakPolarHBondContact O-CG 3.46Å; E64-Q68 PolarHBondContact O-N 3.08Å; E64-Q68 PolarHBondContact OE1-NE2 3.47Å; L65-Q68 PolarHBondContact O-N 2.83Å; N66-Q68 VanDerWaalsContact C-N 3.33Å; N66-Q68 PolarHBondContact O-N 2.91Å; Q68-Q70 PolarHBondContact O-N 2.81Å; Q68-Q70 VanDerWaalsContact O-N 3.13Å
69L92.4Very high91.3Very high12 Ų1246.1 Ų46.16%0.06324%0.235CC..  trans-86.295.3-170.1-165.274.3000112.2L65 N66 W140 K156 V159 L160 F310L65-L69 VanDerWaalsContact O-CB 3.23Å; L65-L69 WeakPolarHBondContact O-CB 3.06Å; L65-L69 PolarHBondContact O-N 3.26Å; L65-L69 VanDerWaalsContact O-N 3.16Å; N66-L69 PolarHBondContact O-N 3.2Å; L69-W140 VanDerWaalsContact CD1-NE1 3.25Å; L69-K156 HydrophobicContact CD2-CB 3.47Å; L69-K156 VanDerWaalsContact CD2-CB 3.47Å; L69-K156 HydrophobicContact CD2-CD 4.35Å; L69-K156 HydrophobicContact CD2-CG 3.75Å; L69-K156 WeakPolarHBondContact CD2-O 3.46Å; L69-K156 HydrophobicContact CG-CB 4.41Å; L69-K156 HydrophobicContact CG-CG 4.17Å; L69-K156 WeakPolarHBondContact O-CE 3.35Å; L69-K156 PolarHBondContact O-NZ 3.46Å; L69-V159 HydrophobicContact CD1-CG2 3.92Å; L69-V159 HydrophobicContact CD2-CG2 4.42Å; L69-L160 HydrophobicContact CD2-CD1 4.1Å; L69-F310 HydrophobicContact CD2-CE1 3.72Å; L69-F310 HydrophobicContact CD2-CZ 4.19Å
70Q94.9Very high91.5Very high72 Ų7248 Ų4834%0.33624%0.236SC..  trans-115.5141.5178.2-60-177.7-49.300111.5Q68 D97 I138Q68-Q70 PolarHBondContact O-N 2.81Å; Q68-Q70 VanDerWaalsContact O-N 3.13Å; Q70-D97 VanDerWaalsContact CA-OD2 3.32Å; Q70-D97 WeakPolarHBondContact CA-OD2 3.34Å; Q70-D97 HydrophobicContact CB-CB 3.96Å; Q70-D97 HydrophobicContact CG-CB 4.3Å; Q70-I138 HydrophobicContact CB-CB 4.44Å; Q70-I138 HydrophobicContact CB-CG1 3.98Å; Q70-I138 HydrophobicContact CB-CG2 4.1Å; Q70-I138 WeakPolarHBondContact O-CG2 3.29Å
71V97.6Very high91.7Very high0 Ų044.6 Ų44.60%021%0.212CC..EExtended strand (participates in β ladder)trans-119.4125.9179.5-179.30000110.2D97 K98 W140 F142 I152 L155 K156V71-D97 PolarHBondContact N-OD2 2.79Å; V71-D97 PolarHBondContact O-N 2.85Å; V71-K98 PolarHBondContact O-N 2.97Å; V71-W140 HydrophobicContact CG2-CB 4.27Å; V71-F142 HydrophobicContact CG1-CB 3.85Å; V71-I152 HydrophobicContact CB-CG2 4.34Å; V71-I152 HydrophobicContact CG2-CG2 4.38Å; V71-L155 HydrophobicContact CG1-CD2 3.92Å; V71-L155 HydrophobicContact CG2-CD2 4.31Å; V71-K156 HydrophobicContact CG2-CG 3.88Å
72Y98.4Very high92Very high0 Ų042.6 Ų42.60%021%0.209CC..EExtended strand (participates in β ladder)trans-97.1109.2171.3-166.6164.4000109.9V74 K98 E100 Y102 A131 A135 I138 W140 F141 F142Y72-V74 HydrophobicContact CD2-CG2 4.45Å; Y72-K98 CarbonylContact C-O 3.54Å; Y72-K98 WeakPolarHBondContact CA-O 3.33Å; Y72-K98 HydrophobicContact CD1-CD 3.99Å; Y72-K98 HydrophobicContact CD2-CB 4.06Å; Y72-K98 HydrophobicContact CD2-CD 4.13Å; Y72-K98 HydrophobicContact CD2-CG 3.96Å; Y72-K98 HydrophobicContact CE1-CD 3.71Å; Y72-K98 HydrophobicContact CE2-CD 3.88Å; Y72-K98 HydrophobicContact CE2-CG 3.91Å; Y72-K98 HydrophobicContact CG-CB 4.2Å; Y72-K98 HydrophobicContact CG-CD 4.2Å; Y72-K98 HydrophobicContact CG-CG 4.36Å; Y72-K98 VanDerWaalsContact CZ-NZ 3.35Å; Y72-K98 PolarHBondContact OH-NZ 2.77Å; Y72-E100 HydrophobicContact CE2-CB 4.01Å; Y72-E100 HydrophobicContact CE2-CG 3.96Å; Y72-E100 PolarHBondContact OH-OE1 3.38Å; Y72-E100 PolarHBondContact OH-OE2 2.96Å; Y72-Y102 PolarHBondContact OH-OH 3.15Å; Y72-A131 HydrophobicContact CD1-CB 4.39Å; Y72-A131 HydrophobicContact CE1-CB 3.92Å; Y72-A131 VanDerWaalsContact CE1-O 3.31Å; Y72-A131 WeakPolarHBondContact CE1-O 3.46Å; Y72-A135 HydrophobicContact CD1-CB 4.38Å; Y72-I138 HydrophobicContact CD1-CD1 4.46Å; Y72-W140 PolarHBondContact N-O 3.08Å; Y72-F141 AromaticContact CD1-CD1 3.92Å; Y72-F141 HydrophobicContact CD1-CD1 3.92Å; Y72-F141 AromaticContact CD1-CE1 3.73Å; Y72-F141 HydrophobicContact CD1-CE1 3.73Å; Y72-F141 HydrophobicContact CE1-CE1 4.46Å; Y72-F141 HydrophobicContact CG-CD1 4.19Å; Y72-F141 HydrophobicContact CG-CE1 4.42Å; Y72-F141 CarbonylContact O-C 3.51Å; Y72-F141 WeakPolarHBondContact O-CA 3.19Å; Y72-F142 PolarHBondContact O-N 3.2Å
73C98.6Very high92.5Very high0 Ų046.7 Ų46.70%023%0.234CC..EExtended strand (participates in β ladder)trans-82116.8175.4-63.60000111.5V75 C96 K98 V99 E100 F142C73-V75 HydrophobicContact CB-CG2 4.4Å; C73-C96 HydrophobicContact CB-CB 3.71Å; C73-C96 WeakPolarHBondContact CB-SG 3.3Å; C73-C96 WeakPolarHBondContact SG-CB 3.39Å; C73-C96 CovalentContact SG-SG 2.02Å; C73-C96 PolarHBondContact SG-SG 3.16Å; C73-K98 PolarHBondContact N-O 3Å; C73-V99 HydrophobicContact CB-CB 4.16Å; C73-V99 HydrophobicContact CB-CG2 4.04Å; C73-V99 WeakPolarHBondContact O-CA 3.38Å; C73-E100 PolarHBondContact O-N 3.37Å; C73-F142 CarbonylContact C-O 3.51Å; C73-F142 WeakPolarHBondContact CA-O 3.44Å
74V98.8Very high93.1Very high0 Ų046.4 Ų46.40%023%0.229CC..EExtended strand (participates in β ladder)trans-101.497.9175.6177.80000107.7Y72 M76 Y102 A127 A131 F142 V143 A144Y72-V74 HydrophobicContact CD2-CG2 4.45Å; V74-M76 HydrophobicContact CG1-SD 4.13Å; V74-Y102 HydrophobicContact CB-CE2 4.3Å; V74-Y102 HydrophobicContact CG1-CD2 3.77Å; V74-Y102 HydrophobicContact CG1-CE2 3.68Å; V74-Y102 HydrophobicContact CG2-CE2 4.4Å; V74-A127 HydrophobicContact CG1-CB 4.2Å; V74-A131 HydrophobicContact CG2-CB 3.65Å; V74-F142 PolarHBondContact N-O 3.03Å; V74-V143 HydrophobicContact CB-CG2 4.42Å; V74-V143 WeakPolarHBondContact O-CA 3.41Å; V74-A144 PolarHBondContact O-N 3.03Å
75V98.2Very high93.5Very high0 Ų042.7 Ų42.70%021%0.212CC..EExtended strand (participates in β ladder)trans-102.6115.5-173.6-170.50000110.4C73 V77 W92 T93 V99 E100 F101 Y102C73-V75 HydrophobicContact CB-CG2 4.4Å; V75-V77 HydrophobicContact CG1-CG1 3.89Å; V75-W92 HydrophobicContact CG2-CH2 4.12Å; V75-T93 HydrophobicContact CG2-CG2 4.12Å; V75-V99 HydrophobicContact CG2-CG2 4.04Å; V75-E100 PolarHBondContact N-O 3.44Å; V75-F101 HydrophobicContact CB-CD1 3.62Å; V75-F101 HydrophobicContact CB-CE1 3.82Å; V75-F101 HydrophobicContact CB-CG 4.4Å; V75-F101 HydrophobicContact CG1-CD1 3.72Å; V75-F101 HydrophobicContact CG1-CE1 3.75Å; V75-F101 HydrophobicContact CG2-CD1 4.32Å; V75-F101 HydrophobicContact CG2-CE1 4.1Å; V75-F101 CarbonylContact O-C 3.6Å; V75-F101 WeakPolarHBondContact O-CA 3.33Å; V75-Y102 PolarHBondContact O-N 2.92Å
76M97.3Very high93.9Very high23 Ų2343.4 Ų43.411%0.11322%0.222CC..EExtended strand (participates in β ladder)trans-86114.3-177.5-56.1-56.6-66.500110.3V74 Y102 R123 L124 A127 V143 A144 P146V74-M76 HydrophobicContact CG1-SD 4.13Å; M76-Y102 HydrophobicContact SD-CD2 4.49Å; M76-R123 HydrophobicContact CE-CG 4.04Å; M76-L124 HydrophobicContact CE-CB 4.31Å; M76-L124 HydrophobicContact CE-CD1 4.26Å; M76-L124 HydrophobicContact CG-CD1 4.24Å; M76-L124 HydrophobicContact SD-CD1 4Å; M76-A127 HydrophobicContact CE-CB 3.9Å; M76-A127 HydrophobicContact SD-CB 3.68Å; M76-V143 HydrophobicContact CG-CG1 4.39Å; M76-A144 PolarHBondContact N-O 3.18Å; M76-P146 VanDerWaalsContact O-CD 3.23Å; M76-P146 WeakPolarHBondContact O-CD 3.23Å
77V96.2Very high94.5Very high1 Ų143 Ų431%0.00622%0.22CC..  trans-128160.5-174-560000113.4V75 W85 F101 Y102 T103 A112 P146V75-V77 HydrophobicContact CG1-CG1 3.89Å; V77-W85 HydrophobicContact CB-CB 4.32Å; V77-W85 HydrophobicContact CB-CD2 4Å; V77-W85 HydrophobicContact CB-CE3 4.14Å; V77-W85 HydrophobicContact CB-CG 4.07Å; V77-W85 HydrophobicContact CG1-CB 4.12Å; V77-W85 HydrophobicContact CG1-CD2 4.26Å; V77-W85 HydrophobicContact CG1-CG 3.88Å; V77-W85 HydrophobicContact CG2-CD2 3.68Å; V77-W85 HydrophobicContact CG2-CE3 3.77Å; V77-W85 HydrophobicContact CG2-CG 4.2Å; V77-W85 HydrophobicContact CG2-CH2 4.24Å; V77-W85 HydrophobicContact CG2-CZ2 4.17Å; V77-W85 HydrophobicContact CG2-CZ3 4.04Å; V77-F101 HydrophobicContact CG1-CB 4.49Å; V77-F101 HydrophobicContact CG1-CD1 3.7Å; V77-F101 HydrophobicContact CG2-CB 4.05Å; V77-Y102 PolarHBondContact N-O 3.46Å; V77-T103 VanDerWaalsContact O-CA 3.32Å; V77-T103 WeakPolarHBondContact O-CA 3.15Å; V77-T103 WeakPolarHBondContact O-CB 3.46Å; V77-T103 PolarHBondContact O-OG1 3.3Å; V77-A112 HydrophobicContact CG2-CB 4.31Å; V77-P146 HydrophobicContact CG1-CB 4.15Å
78Q92.6Very high95.1Very high32 Ų3238 Ų3815%0.1519%0.193CC..  trans-138.3155173.6-68.8-176-13.400110.1K80 S81 D120Q78-K80 HydrophobicContact CB-CG 4.11Å; Q78-K80 PolarHBondContact O-N 2.91Å; Q78-S81 PolarHBondContact N-OG 3.2Å; Q78-S81 CarbonylContact O-C 3.56Å; Q78-S81 PolarHBondContact O-N 3.09Å; Q78-S81 PolarHBondContact O-OG 2.95Å; Q78-D120 PolarHBondContact NE2-OD1 3.49Å
79P90.4Very high95.6Very high38 Ų3835.7 Ų35.725%0.24718%0.184CC..G310 helixtrans-58.1-31.9176.9-28.938.3000113.5S81 L82 E105P79-S81 PolarHBondContact O-N 3.49Å; P79-L82 WeakPolarHBondContact O-CB 3.17Å; P79-L82 PolarHBondContact O-N 2.77Å; P79-L82 VanDerWaalsContact O-N 3.17Å; P79-E105 HydrophobicContact CG-CG 3.5Å; P79-E105 VanDerWaalsContact CG-CG 3.5Å; P79-E105 WeakPolarHBondContact CG-OE1 3.43Å
80K92Very high95.6Very high181 Ų18139 Ų3979%0.78720%0.202SC*.G310 helixtrans-64-19.8175.478.4-171.1-166.4-154.80113.7Q78Q78-K80 HydrophobicContact CB-CG 4.11Å; Q78-K80 PolarHBondContact O-N 2.91Å
81S90.9Very high95.7Very high16 Ų1635.6 Ų35.611%0.11219%0.186CC..G310 helixtrans-107.528.2177.265.60000112.4Q78 P79 V83 Y84 W85Q78-S81 PolarHBondContact N-OG 3.2Å; Q78-S81 CarbonylContact O-C 3.56Å; Q78-S81 PolarHBondContact O-N 3.09Å; Q78-S81 PolarHBondContact O-OG 2.95Å; P79-S81 PolarHBondContact O-N 3.49Å; S81-V83 VanDerWaalsContact C-N 3.25Å; S81-V83 PolarHBondContact O-N 3.16Å; S81-Y84 WeakPolarHBondContact O-CB 3.4Å; S81-Y84 PolarHBondContact O-N 3.46Å; S81-W85 PolarHBondContact O-N 3.27Å
82L94.1Very high95.6Very high60 Ų6035.6 Ų35.631%0.31419%0.186SC..Hα-helixtrans-52.8-39.1-176.5-171.469.5000113.7P79 W85 A86 A109 L110P79-L82 WeakPolarHBondContact O-CB 3.17Å; P79-L82 PolarHBondContact O-N 2.77Å; P79-L82 VanDerWaalsContact O-N 3.17Å; L82-W85 HydrophobicContact CD1-CE3 4.03Å; L82-W85 HydrophobicContact CD1-CZ3 4.38Å; L82-W85 PolarHBondContact O-N 3.45Å; L82-A86 WeakPolarHBondContact O-CB 3.46Å; L82-A86 PolarHBondContact O-N 2.62Å; L82-A109 HydrophobicContact CD1-CB 3.94Å; L82-A109 HydrophobicContact CD2-CB 3.93Å; L82-L110 HydrophobicContact CD1-CB 4.44Å; L82-L110 HydrophobicContact CD1-CD1 3.74Å; L82-L110 HydrophobicContact CD1-CG 4Å
83V96.4Very high95.4Very high99 Ų9935.7 Ų35.760%0.619%0.187SC*.Hα-helixtrans-65.2-43179.1-179.80000111.4S81 T87 A284S81-V83 VanDerWaalsContact C-N 3.25Å; S81-V83 PolarHBondContact O-N 3.16Å; V83-T87 WeakPolarHBondContact O-CB 3.27Å; V83-T87 PolarHBondContact O-N 2.94Å; V83-T87 PolarHBondContact O-OG1 3.15Å; V83-A284 HydrophobicContact CG1-CB 3.7Å
84Y96.8Very high95.2Very high89 Ų8937.7 Ų37.735%0.34920%0.195SC..Hα-helixtrans-66.1-42.1175.9-65.1-76.5000111.5S81 T87 A88 N147 L282S81-Y84 WeakPolarHBondContact O-CB 3.4Å; S81-Y84 PolarHBondContact O-N 3.46Å; Y84-T87 PolarHBondContact O-N 3.15Å; Y84-A88 WeakPolarHBondContact O-CB 3.18Å; Y84-A88 PolarHBondContact O-N 2.93Å; Y84-N147 HydrophobicContact CD1-CB 3.95Å; Y84-N147 HydrophobicContact CE1-CB 4.1Å; Y84-L282 VanDerWaalsContact CE1-O 3.25Å; Y84-L282 WeakPolarHBondContact CE1-O 3.14Å
85W95.8Very high95Very high1 Ų138 Ų380%0.00420%0.197CC..Hα-helixtrans-61-50.3176.4178.38.4000111.8V77 S81 L82 T87 A88 L89 F101 L110 E111 A112V77-W85 HydrophobicContact CB-CB 4.32Å; V77-W85 HydrophobicContact CB-CD2 4Å; V77-W85 HydrophobicContact CB-CE3 4.14Å; V77-W85 HydrophobicContact CB-CG 4.07Å; V77-W85 HydrophobicContact CG1-CB 4.12Å; V77-W85 HydrophobicContact CG1-CD2 4.26Å; V77-W85 HydrophobicContact CG1-CG 3.88Å; V77-W85 HydrophobicContact CG2-CD2 3.68Å; V77-W85 HydrophobicContact CG2-CE3 3.77Å; V77-W85 HydrophobicContact CG2-CG 4.2Å; V77-W85 HydrophobicContact CG2-CH2 4.24Å; V77-W85 HydrophobicContact CG2-CZ2 4.17Å; V77-W85 HydrophobicContact CG2-CZ3 4.04Å; S81-W85 PolarHBondContact O-N 3.27Å; L82-W85 HydrophobicContact CD1-CE3 4.03Å; L82-W85 HydrophobicContact CD1-CZ3 4.38Å; L82-W85 PolarHBondContact O-N 3.45Å; W85-T87 PolarHBondContact O-N 3.29Å; W85-A88 PolarHBondContact O-N 2.86Å; W85-L89 WeakPolarHBondContact O-CB 3.27Å; W85-L89 PolarHBondContact O-N 2.97Å; W85-F101 AromaticContact CD1-CD1 3.35Å; W85-F101 AromaticContact CD1-CE1 3.59Å; W85-F101 AromaticContact CD1-CG 3.86Å; W85-F101 HydrophobicContact CG-CD1 4.39Å; W85-F101 HydrophobicContact CZ2-CB 4.29Å; W85-F101 AromaticContact NE1-CD1 3.35Å; W85-F101 VanDerWaalsContact NE1-CD1 3.35Å; W85-F101 AromaticContact NE1-CD2 3.87Å; W85-F101 AromaticContact NE1-CE1 3.9Å; W85-F101 AromaticContact NE1-CG 3.32Å; W85-F101 VanDerWaalsContact NE1-CG 3.32Å; W85-L110 HydrophobicContact CB-CD1 4.11Å; W85-L110 HydrophobicContact CD2-CB 3.97Å; W85-L110 HydrophobicContact CD2-CD1 3.6Å; W85-L110 HydrophobicContact CD2-CG 4.45Å; W85-L110 HydrophobicContact CE3-CB 4.24Å; W85-L110 HydrophobicContact CE3-CD1 4.14Å; W85-L110 HydrophobicContact CG-CD1 3.6Å; W85-L110 HydrophobicContact CH2-CB 3.68Å; W85-L110 WeakPolarHBondContact CH2-O 3.02Å; W85-L110 HydrophobicContact CZ2-CB 3.34Å; W85-L110 HydrophobicContact CZ2-CD1 4.48Å; W85-L110 HydrophobicContact CZ3-CB 4.12Å; W85-E111 WeakPolarHBondContact CZ2-O 3.43Å; W85-A112 HydrophobicContact CH2-CB 3.37Å; W85-A112 HydrophobicContact CZ2-CB 3.3Å; W85-A112 HydrophobicContact CZ3-CB 4.44Å
86A96.6Very high94.8Very high41 Ų4138.4 Ų38.434%0.33920%0.2SC..Hα-helixtrans-56.5-40.6175.200000111.7L82 D90 L110L82-A86 WeakPolarHBondContact O-CB 3.46Å; L82-A86 PolarHBondContact O-N 2.62Å; A86-D90 WeakPolarHBondContact O-CB 2.95Å; A86-D90 PolarHBondContact O-N 3.29Å; A86-L110 HydrophobicContact CB-CD1 3.93Å
87T97.3Very high94.7Very high13 Ų1339.1 Ų39.18%0.0820%0.204CC..Hα-helixtrans-70-43.4-179.9-54.20000112.1V83 Y84 W85 L89 D90 T91 A284 M287 Q288V83-T87 WeakPolarHBondContact O-CB 3.27Å; V83-T87 PolarHBondContact O-N 2.94Å; V83-T87 PolarHBondContact O-OG1 3.15Å; Y84-T87 PolarHBondContact O-N 3.15Å; W85-T87 PolarHBondContact O-N 3.29Å; T87-L89 VanDerWaalsContact C-N 3.32Å; T87-L89 PolarHBondContact O-N 3.09Å; T87-D90 PolarHBondContact O-N 3.01Å; T87-T91 HydrophobicContact CG2-CG2 4.22Å; T87-T91 WeakPolarHBondContact O-CB 3.21Å; T87-T91 VanDerWaalsContact O-CG2 3.31Å; T87-T91 WeakPolarHBondContact O-CG2 3.47Å; T87-T91 PolarHBondContact O-N 3.3Å; T87-T91 PolarHBondContact O-OG1 2.76Å; T87-A284 HydrophobicContact CG2-CB 4.29Å; T87-A284 WeakPolarHBondContact CG2-O 3.35Å; T87-A284 WeakPolarHBondContact OG1-CB 3.42Å; T87-M287 HydrophobicContact CG2-CB 3.7Å; T87-M287 HydrophobicContact CG2-CE 4.2Å; T87-M287 HydrophobicContact CG2-SD 4.14Å; T87-Q288 HydrophobicContact CG2-CG 4.03Å
88A96.6Very high94.7Very high0 Ų041.6 Ų41.60%022%0.215CC..Hα-helixtrans-60.2-45.5175.900000110.7Y84 W85 D90 T91 T93 F101 M287Y84-A88 WeakPolarHBondContact O-CB 3.18Å; Y84-A88 PolarHBondContact O-N 2.93Å; W85-A88 PolarHBondContact O-N 2.86Å; A88-D90 VanDerWaalsContact C-N 3.3Å; A88-D90 PolarHBondContact O-N 3.04Å; A88-T91 PolarHBondContact O-N 2.03Å; A88-T93 HydrophobicContact CB-CG2 4.11Å; A88-T93 WeakPolarHBondContact O-CB 3.36Å; A88-T93 WeakPolarHBondContact O-CG2 3.01Å; A88-T93 PolarHBondContact O-N 3.17Å; A88-T93 PolarHBondContact O-OG1 2.83Å; A88-F101 HydrophobicContact CB-CE1 4.31Å; A88-M287 HydrophobicContact CB-CE 3.97Å
89L95.2Very high94.9Very high71 Ų7142.4 Ų42.437%0.37222%0.221SC..Hα-helixtrans-57.3-40.3175.8-179.667.8000112.5W85 T87 T93 F101 L110W85-L89 WeakPolarHBondContact O-CB 3.27Å; W85-L89 PolarHBondContact O-N 2.97Å; T87-L89 VanDerWaalsContact C-N 3.32Å; T87-L89 PolarHBondContact O-N 3.09Å; L89-T93 VanDerWaalsContact CA-OG1 3.31Å; L89-T93 WeakPolarHBondContact CA-OG1 3.4Å; L89-F101 HydrophobicContact CB-CE2 4.38Å; L89-F101 HydrophobicContact CB-CZ 3.97Å; L89-F101 HydrophobicContact CD1-CD2 4.48Å; L89-F101 HydrophobicContact CD1-CE2 3.55Å; L89-F101 HydrophobicContact CD1-CZ 3.96Å; L89-L110 HydrophobicContact CD2-CD2 3.9Å
90D94.1Very high95.2Very high82 Ų8242.2 Ų42.244%0.43922%0.217SC..Hα-helixtrans-84.9-10.7-177.3-171.347.4000114.3A86 T87 A88 K94 Q288A86-D90 WeakPolarHBondContact O-CB 2.95Å; A86-D90 PolarHBondContact O-N 3.29Å; T87-D90 PolarHBondContact O-N 3.01Å; A88-D90 VanDerWaalsContact C-N 3.3Å; A88-D90 PolarHBondContact O-N 3.04Å; D90-K94 WeakPolarHBondContact O-CE 3.02Å; D90-K94 PolarHBondContact O-NZ 3.36Å; D90-K94 IonicContact OD1-NZ 2.82Å; D90-K94 PolarHBondContact OD1-NZ 3.01Å; D90-Q288 PolarHBondContact OD2-NE2 3.06Å
91T95.2Very high95.5Very high0 Ų034.1 Ų34.10%018%0.182CC..THydrogen-bonded Turntrans-117.7-120.4-174.760.40000111.7T87 A88 T93 K94 M291T87-T91 HydrophobicContact CG2-CG2 4.22Å; T87-T91 WeakPolarHBondContact O-CB 3.21Å; T87-T91 VanDerWaalsContact O-CG2 3.31Å; T87-T91 WeakPolarHBondContact O-CG2 3.47Å; T87-T91 PolarHBondContact O-N 3.3Å; T87-T91 PolarHBondContact O-OG1 2.76Å; A88-T91 PolarHBondContact O-N 2.03Å; T91-T93 PolarHBondContact O-N 2.86Å; T91-T93 VanDerWaalsContact O-N 3.09Å; T91-K94 WeakPolarHBondContact O-CB 3.48Å; T91-K94 PolarHBondContact O-N 2.82Å; T91-M291 HydrophobicContact CG2-CB 3.84Å; T91-M291 HydrophobicContact CG2-CG 3.99Å
92W95.7Very high95.8Very high0 Ų033.4 Ų33.40%018%0.177CC..G310 helixtrans-61.3-25.4-166.666.9-90.6000114.6V75 K94 H95 F142 A144 T148 F149 A150 I152V75-W92 HydrophobicContact CG2-CH2 4.12Å; W92-K94 PolarHBondContact O-N 2.84Å; W92-H95 WeakPolarHBondContact O-CB 3.48Å; W92-H95 PolarHBondContact O-N 3.5Å; W92-F142 HydrophobicContact CH2-CD1 4.27Å; W92-F142 AromaticContact CH2-CE1 3.79Å; W92-F142 HydrophobicContact CH2-CE1 3.79Å; W92-F142 HydrophobicContact CZ3-CD1 4.06Å; W92-F142 AromaticContact CZ3-CE1 3.76Å; W92-F142 HydrophobicContact CZ3-CE1 3.76Å; W92-A144 HydrophobicContact CH2-CB 3.71Å; W92-A144 HydrophobicContact CZ2-CB 4.05Å; W92-T148 PolarHBondContact NE1-O 3.39Å; W92-F149 HydrophobicContact CB-CD2 4.15Å; W92-F149 HydrophobicContact CB-CE2 3.98Å; W92-F149 HydrophobicContact CB-CZ 4.19Å; W92-F149 AromaticContact CD1-CD2 3.73Å; W92-F149 HydrophobicContact CG-CD2 4.25Å; W92-A150 WeakPolarHBondContact CB-O 3.19Å; W92-A150 HydrophobicContact CD2-CB 4.03Å; W92-A150 HydrophobicContact CE3-CB 3.68Å; W92-A150 HydrophobicContact CH2-CB 4.44Å; W92-A150 HydrophobicContact CZ3-CB 3.91Å; W92-I152 HydrophobicContact CE3-CD1 3.98Å; W92-I152 HydrophobicContact CE3-CG1 4.32Å; W92-I152 HydrophobicContact CZ3-CD1 3.98Å
93T95.6Very high96Very high2 Ų230.5 Ų30.51%0.01216%0.162CC..G310 helixtrans-69-18.5-177.763.60000113.2V75 A88 L89 T91 H95 C96 V99 F101V75-T93 HydrophobicContact CG2-CG2 4.12Å; A88-T93 HydrophobicContact CB-CG2 4.11Å; A88-T93 WeakPolarHBondContact O-CB 3.36Å; A88-T93 WeakPolarHBondContact O-CG2 3.01Å; A88-T93 PolarHBondContact O-N 3.17Å; A88-T93 PolarHBondContact O-OG1 2.83Å; L89-T93 VanDerWaalsContact CA-OG1 3.31Å; L89-T93 WeakPolarHBondContact CA-OG1 3.4Å; T91-T93 PolarHBondContact O-N 2.86Å; T91-T93 VanDerWaalsContact O-N 3.09Å; T93-H95 PolarHBondContact O-N 3.22Å; T93-C96 VanDerWaalsContact O-CB 3.31Å; T93-C96 WeakPolarHBondContact O-CB 3.33Å; T93-C96 PolarHBondContact O-N 2.82Å; T93-C96 VanDerWaalsContact O-N 3.16Å; T93-C96 PolarHBondContact O-SG 3.02Å; T93-V99 HydrophobicContact CG2-CG2 4.4Å; T93-F101 HydrophobicContact CG2-CE1 4.39Å; T93-F101 HydrophobicContact CG2-CZ 4.03Å
94K93.9Very high95.9Very high42 Ų4226.6 Ų26.618%0.18314%0.139CC..G310 helixtrans-53.9-42.9168.6-72.6174.8174.2167.80109.8D90 T91 W92 C96 D317 N318D90-K94 WeakPolarHBondContact O-CE 3.02Å; D90-K94 PolarHBondContact O-NZ 3.36Å; D90-K94 IonicContact OD1-NZ 2.82Å; D90-K94 PolarHBondContact OD1-NZ 3.01Å; T91-K94 WeakPolarHBondContact O-CB 3.48Å; T91-K94 PolarHBondContact O-N 2.82Å; W92-K94 PolarHBondContact O-N 2.84Å; K94-C96 PolarHBondContact O-N 2.98Å; K94-D317 WeakPolarHBondContact CD-O 3.32Å; K94-N318 WeakPolarHBondContact CA-OD1 3.37Å; K94-N318 VanDerWaalsContact CB-OD1 3.26Å; K94-N318 WeakPolarHBondContact CB-OD1 3.32Å; K94-N318 PolarHBondContact O-ND2 3.22Å; K94-N318 PolarHBondContact O-OD1 3.43Å
95H93.8Very high95.6Very high8 Ų827.2 Ų27.24%0.03715%0.145CC..G310 helixtrans-69.1-4.6-178-60-106000114.9W92 T93 I152 E153 Y295W92-H95 WeakPolarHBondContact O-CB 3.48Å; W92-H95 PolarHBondContact O-N 3.5Å; T93-H95 PolarHBondContact O-N 3.22Å; H95-I152 HydrophobicContact CB-CB 4.02Å; H95-I152 HydrophobicContact CB-CG1 3.96Å; H95-I152 WeakPolarHBondContact O-CG2 3.42Å; H95-E153 IonicContact CE1-OE1 3.69Å; H95-E153 IonicContact CG-OE1 3.56Å; H95-E153 IonicContact ND1-OE1 2.7Å; H95-E153 PolarHBondContact ND1-OE1 3.39Å; H95-E153 IonicContact ND1-OE2 2.73Å; H95-Y295 AromaticContact CE1-CD1 3.42Å; H95-Y295 VanDerWaalsContact CE1-CD1 3.42Å; H95-Y295 WeakPolarHBondContact CE1-CD1 3.01Å; H95-Y295 AromaticContact CE1-CE1 3.34Å; H95-Y295 WeakPolarHBondContact CE1-CE1 3.32Å; H95-Y295 AromaticContact CE1-CG 3.91Å; H95-Y295 AromaticContact CE1-CZ 3.75Å; H95-Y295 AromaticContact ND1-CE1 3.57Å; H95-Y295 AromaticContact ND1-CZ 3.88Å; H95-Y295 AromaticContact NE2-CD1 3.99Å; H95-Y295 AromaticContact NE2-CE1 3.96Å; H95-Y295 AromaticContact NE2-CZ 3.95Å
96C95.1Very high95.3Very high8 Ų830.7 Ų30.75%0.05417%0.174CC..SBendtrans-76.9143.3172.8-57.70000111.2C73 T93 K94 K98 V99C73-C96 HydrophobicContact CB-CB 3.71Å; C73-C96 WeakPolarHBondContact CB-SG 3.3Å; C73-C96 WeakPolarHBondContact SG-CB 3.39Å; C73-C96 CovalentContact SG-SG 2.02Å; C73-C96 PolarHBondContact SG-SG 3.16Å; T93-C96 VanDerWaalsContact O-CB 3.31Å; T93-C96 WeakPolarHBondContact O-CB 3.33Å; T93-C96 PolarHBondContact O-N 2.82Å; T93-C96 VanDerWaalsContact O-N 3.16Å; T93-C96 PolarHBondContact O-SG 3.02Å; K94-C96 PolarHBondContact O-N 2.98Å; C96-K98 VanDerWaalsContact C-N 3.33Å; C96-V99 HydrophobicContact CB-CB 4.17Å
97D94.7Very high94.7Very high37 Ų3730.3 Ų30.320%0.19817%0.169CC..SBendtrans-71.3-33.2176.3-54.5-85.9000111.9Q70 V71 K156Q70-D97 VanDerWaalsContact CA-OD2 3.32Å; Q70-D97 WeakPolarHBondContact CA-OD2 3.34Å; Q70-D97 HydrophobicContact CB-CB 3.96Å; Q70-D97 HydrophobicContact CG-CB 4.3Å; V71-D97 PolarHBondContact N-OD2 2.79Å; V71-D97 PolarHBondContact O-N 2.85Å; D97-K156 IonicContact OD1-NZ 2.94Å; D97-K156 PolarHBondContact OD1-NZ 3.48Å; D97-K156 WeakPolarHBondContact OD2-CE 3.38Å; D97-K156 IonicContact OD2-NZ 2.72Å; D97-K156 PolarHBondContact OD2-NZ 2.97Å
98K95.6Very high94.2Very high54 Ų5440.3 Ų40.324%0.23521%0.211CC..EExtended strand (participates in β ladder)trans-138.9138.4165.6-171.8178.9-176.2-152.90108.8V71 Y72 C73 C96 E100 N134 I138V71-K98 PolarHBondContact O-N 2.97Å; Y72-K98 CarbonylContact C-O 3.54Å; Y72-K98 WeakPolarHBondContact CA-O 3.33Å; Y72-K98 HydrophobicContact CD1-CD 3.99Å; Y72-K98 HydrophobicContact CD2-CB 4.06Å; Y72-K98 HydrophobicContact CD2-CD 4.13Å; Y72-K98 HydrophobicContact CD2-CG 3.96Å; Y72-K98 HydrophobicContact CE1-CD 3.71Å; Y72-K98 HydrophobicContact CE2-CD 3.88Å; Y72-K98 HydrophobicContact CE2-CG 3.91Å; Y72-K98 HydrophobicContact CG-CB 4.2Å; Y72-K98 HydrophobicContact CG-CD 4.2Å; Y72-K98 HydrophobicContact CG-CG 4.36Å; Y72-K98 VanDerWaalsContact CZ-NZ 3.35Å; Y72-K98 PolarHBondContact OH-NZ 2.77Å; C73-K98 PolarHBondContact N-O 3Å; C96-K98 VanDerWaalsContact C-N 3.33Å; K98-E100 VanDerWaalsContact CE-OE1 3.23Å; K98-E100 WeakPolarHBondContact CE-OE1 3.41Å; K98-E100 IonicContact NZ-OE1 3.75Å; K98-E100 PolarHBondContact NZ-OE1 2.89Å; K98-N134 PolarHBondContact NZ-O 3.22Å; K98-I138 HydrophobicContact CB-CD1 3.42Å; K98-I138 VanDerWaalsContact CB-CD1 3.42Å; K98-I138 HydrophobicContact CD-CD1 3.99Å; K98-I138 HydrophobicContact CG-CD1 4.32Å
99V96.6Very high93.9Very high48 Ų4843.4 Ų43.429%0.29124%0.236SC..EExtended strand (participates in β ladder)trans-131.4136.7173.157.90000110.1C73 V75 T93 C96 F101C73-V99 HydrophobicContact CB-CB 4.16Å; C73-V99 HydrophobicContact CB-CG2 4.04Å; C73-V99 WeakPolarHBondContact O-CA 3.38Å; V75-V99 HydrophobicContact CG2-CG2 4.04Å; T93-V99 HydrophobicContact CG2-CG2 4.4Å; C96-V99 HydrophobicContact CB-CB 4.17Å; V99-F101 HydrophobicContact CG2-CD2 4.27Å; V99-F101 HydrophobicContact CG2-CE2 3.73Å; V99-F101 HydrophobicContact CG2-CZ 4Å
100E97.8Very high93.7Very high34 Ų3441.8 Ų41.816%0.15923%0.228CC..EExtended strand (participates in β ladder)trans-133.6137.3165.9-72.5177.2-170.200110.5Y72 C73 V75 K98 Y102 I113 H130Y72-E100 HydrophobicContact CE2-CB 4.01Å; Y72-E100 HydrophobicContact CE2-CG 3.96Å; Y72-E100 PolarHBondContact OH-OE1 3.38Å; Y72-E100 PolarHBondContact OH-OE2 2.96Å; C73-E100 PolarHBondContact O-N 3.37Å; V75-E100 PolarHBondContact N-O 3.44Å; K98-E100 VanDerWaalsContact CE-OE1 3.23Å; K98-E100 WeakPolarHBondContact CE-OE1 3.41Å; K98-E100 IonicContact NZ-OE1 3.75Å; K98-E100 PolarHBondContact NZ-OE1 2.89Å; E100-Y102 HydrophobicContact CB-CD2 4.44Å; E100-Y102 HydrophobicContact CB-CE2 3.68Å; E100-Y102 VanDerWaalsContact OE2-CZ 3.29Å; E100-Y102 PolarHBondContact OE2-OH 2.89Å; E100-I113 HydrophobicContact CB-CD1 4.09Å; E100-I113 VanDerWaalsContact CD-CD1 3.49Å; E100-I113 HydrophobicContact CG-CD1 4.08Å; E100-I113 WeakPolarHBondContact OE2-CD1 3.42Å; E100-H130 IonicContact OE1-CE1 2.93Å; E100-H130 IonicContact OE2-CE1 3.86Å; E100-H130 PolarHBondContact OE2-CE1 2.92Å; E100-H130 IonicContact OE2-ND1 3.3Å; E100-H130 PolarHBondContact OE2-ND1 3.48Å; E100-H130 VanDerWaalsContact OE2-ND1 3.11Å
101F97.8Very high93.7Very high12 Ų1246.8 Ų46.85%0.05325%0.249CC..EExtended strand (participates in β ladder)trans-96.4130.1174.1-62.8-90.7000108.7V75 V77 W85 A88 L89 T93 V99 A112 I113V75-F101 HydrophobicContact CB-CD1 3.62Å; V75-F101 HydrophobicContact CB-CE1 3.82Å; V75-F101 HydrophobicContact CB-CG 4.4Å; V75-F101 HydrophobicContact CG1-CD1 3.72Å; V75-F101 HydrophobicContact CG1-CE1 3.75Å; V75-F101 HydrophobicContact CG2-CD1 4.32Å; V75-F101 HydrophobicContact CG2-CE1 4.1Å; V75-F101 CarbonylContact O-C 3.6Å; V75-F101 WeakPolarHBondContact O-CA 3.33Å; V77-F101 HydrophobicContact CG1-CB 4.49Å; V77-F101 HydrophobicContact CG1-CD1 3.7Å; V77-F101 HydrophobicContact CG2-CB 4.05Å; W85-F101 AromaticContact CD1-CD1 3.35Å; W85-F101 AromaticContact CD1-CE1 3.59Å; W85-F101 AromaticContact CD1-CG 3.86Å; W85-F101 HydrophobicContact CG-CD1 4.39Å; W85-F101 HydrophobicContact CZ2-CB 4.29Å; W85-F101 AromaticContact NE1-CD1 3.35Å; W85-F101 VanDerWaalsContact NE1-CD1 3.35Å; W85-F101 AromaticContact NE1-CD2 3.87Å; W85-F101 AromaticContact NE1-CE1 3.9Å; W85-F101 AromaticContact NE1-CG 3.32Å; W85-F101 VanDerWaalsContact NE1-CG 3.32Å; A88-F101 HydrophobicContact CB-CE1 4.31Å; L89-F101 HydrophobicContact CB-CE2 4.38Å; L89-F101 HydrophobicContact CB-CZ 3.97Å; L89-F101 HydrophobicContact CD1-CD2 4.48Å; L89-F101 HydrophobicContact CD1-CE2 3.55Å; L89-F101 HydrophobicContact CD1-CZ 3.96Å; T93-F101 HydrophobicContact CG2-CE1 4.39Å; T93-F101 HydrophobicContact CG2-CZ 4.03Å; V99-F101 HydrophobicContact CG2-CD2 4.27Å; V99-F101 HydrophobicContact CG2-CE2 3.73Å; V99-F101 HydrophobicContact CG2-CZ 4Å; F101-A112 HydrophobicContact CB-CB 3.92Å; F101-A112 CarbonylContact O-C 3.57Å; F101-A112 VanDerWaalsContact O-CA 3.29Å; F101-A112 WeakPolarHBondContact O-CA 3Å; F101-A112 VanDerWaalsContact O-CB 3.23Å; F101-A112 WeakPolarHBondContact O-CB 3.41Å; F101-I113 PolarHBondContact O-N 2.76Å
102Y97.9Very high93.7Very high0 Ų048.3 Ų48.30%026%0.261CS..EExtended strand (participates in β ladder)trans-116.5130.9-177.3-66.4-85.8000110.6Y72 V74 V75 M76 V77 E100 I113 L115 A127 H130Y72-Y102 PolarHBondContact OH-OH 3.15Å; V74-Y102 HydrophobicContact CB-CE2 4.3Å; V74-Y102 HydrophobicContact CG1-CD2 3.77Å; V74-Y102 HydrophobicContact CG1-CE2 3.68Å; V74-Y102 HydrophobicContact CG2-CE2 4.4Å; V75-Y102 PolarHBondContact O-N 2.92Å; M76-Y102 HydrophobicContact SD-CD2 4.49Å; V77-Y102 PolarHBondContact N-O 3.46Å; E100-Y102 HydrophobicContact CB-CD2 4.44Å; E100-Y102 HydrophobicContact CB-CE2 3.68Å; E100-Y102 VanDerWaalsContact OE2-CZ 3.29Å; E100-Y102 PolarHBondContact OE2-OH 2.89Å; Y102-I113 HydrophobicContact CD1-CB 3.81Å; Y102-I113 HydrophobicContact CD1-CD1 4.17Å; Y102-I113 HydrophobicContact CD1-CG2 3.99Å; Y102-I113 HydrophobicContact CE1-CB 4.05Å; Y102-I113 HydrophobicContact CE1-CD1 3.56Å; Y102-I113 HydrophobicContact CE1-CG1 4.4Å; Y102-I113 HydrophobicContact CE1-CG2 4.11Å; Y102-L115 HydrophobicContact CD1-CD1 3.81Å; Y102-L115 HydrophobicContact CD1-CD2 4.11Å; Y102-L115 HydrophobicContact CD1-CG 4.13Å; Y102-L115 HydrophobicContact CG-CD1 4.26Å; Y102-A127 HydrophobicContact CD1-CB 3.76Å; Y102-A127 HydrophobicContact CD2-CB 3.91Å; Y102-A127 HydrophobicContact CE1-CB 4.16Å; Y102-A127 HydrophobicContact CE2-CB 4.31Å; Y102-A127 HydrophobicContact CG-CB 3.59Å; Y102-H130 HydrophobicContact CE1-CB 3.94Å; Y102-H130 AromaticContact CE1-CG 3.89Å; Y102-H130 AromaticContact CE1-ND1 3.64Å; Y102-H130 AromaticContact CZ-ND1 3.76Å; Y102-H130 PolarHBondContact OH-ND1 3.47Å
103T96.8Very high93.8Very high0 Ų050.6 Ų50.60%027%0.273CS..EExtended strand (participates in β ladder)trans-133.8161.8-174.7-159.70000113.4V77 E105 A112 I113 D114 L115V77-T103 VanDerWaalsContact O-CA 3.32Å; V77-T103 WeakPolarHBondContact O-CA 3.15Å; V77-T103 WeakPolarHBondContact O-CB 3.46Å; V77-T103 PolarHBondContact O-OG1 3.3Å; T103-E105 WeakPolarHBondContact CG2-O 3.31Å; T103-E105 PolarHBondContact OG1-O 2.96Å; T103-A112 HydrophobicContact CG2-CB 3.77Å; T103-I113 PolarHBondContact N-O 2.68Å; T103-D114 HydrophobicContact CG2-CB 4.39Å; T103-L115 PolarHBondContact O-N 2.98Å
104S94Very high93.8Very high16 Ų1653.8 Ų53.811%0.11229%0.29CS..SBendtrans-82.5-21.5177.553.20000113.6E117S104-E117 WeakPolarHBondContact CA-O 3.26Å; S104-E117 WeakPolarHBondContact CB-O 3.39Å
105E92.5Very high93.9Very high103 Ų10352.9 Ų52.948%0.48129%0.287SS..SBendtrans-155.9140.7-177.968.3-168.2172.700109.8P79 T103 S107 D114P79-E105 HydrophobicContact CG-CG 3.5Å; P79-E105 VanDerWaalsContact CG-CG 3.5Å; P79-E105 WeakPolarHBondContact CG-OE1 3.43Å; T103-E105 WeakPolarHBondContact CG2-O 3.31Å; T103-E105 PolarHBondContact OG1-O 2.96Å; E105-S107 PolarHBondContact O-N 3.43Å; E105-D114 WeakPolarHBondContact CA-OD1 3.5Å; E105-D114 PolarHBondContact N-OD1 3.35Å
106A87.6Confident94Very high74 Ų7459 Ų5961%0.61232%0.32SS*.  trans-58.2137-179.300000112.9D114A106-D114 HydrophobicContact CB-CB 4.33Å; A106-D114 PolarHBondContact N-OD2 2.88Å
107S85.4Confident94Very high32 Ų3260.5 Ų60.522%0.22433%0.326CS..  trans-103.1142.2169.6178.40000109.8E105 A109E105-S107 PolarHBondContact O-N 3.43Å; S107-A109 VanDerWaalsContact C-N 3.28Å; S107-A109 PolarHBondContact OG-N 2.95Å; S107-A109 VanDerWaalsContact OG-N 3.15Å
108K86.9Confident93.9Very high224 Ų22467 Ų6797%0.97435%0.353SS*.SBendtrans-80-12171.1-65.7-174.3-179.3-178.50113.1
109A89Confident93.7Very high64 Ų6466.6 Ų66.653%0.52935%0.353SS..SBendtrans-95.5-33.6-170.600000113.4L82 S107L82-A109 HydrophobicContact CD1-CB 3.94Å; L82-A109 HydrophobicContact CD2-CB 3.93Å; S107-A109 VanDerWaalsContact C-N 3.28Å; S107-A109 PolarHBondContact OG-N 2.95Å; S107-A109 VanDerWaalsContact OG-N 3.15Å
110L92.3Very high93.6Very high37 Ų3767.2 Ų67.219%0.19436%0.355CS..SBendtrans-141.2146-178-66.3176.5000109.9L82 W85 A86 L89L82-L110 HydrophobicContact CD1-CB 4.44Å; L82-L110 HydrophobicContact CD1-CD1 3.74Å; L82-L110 HydrophobicContact CD1-CG 4Å; W85-L110 HydrophobicContact CB-CD1 4.11Å; W85-L110 HydrophobicContact CD2-CB 3.97Å; W85-L110 HydrophobicContact CD2-CD1 3.6Å; W85-L110 HydrophobicContact CD2-CG 4.45Å; W85-L110 HydrophobicContact CE3-CB 4.24Å; W85-L110 HydrophobicContact CE3-CD1 4.14Å; W85-L110 HydrophobicContact CG-CD1 3.6Å; W85-L110 HydrophobicContact CH2-CB 3.68Å; W85-L110 WeakPolarHBondContact CH2-O 3.02Å; W85-L110 HydrophobicContact CZ2-CB 3.34Å; W85-L110 HydrophobicContact CZ2-CD1 4.48Å; W85-L110 HydrophobicContact CZ3-CB 4.12Å; A86-L110 HydrophobicContact CB-CD1 3.93Å; L89-L110 HydrophobicContact CD2-CD2 3.9Å
111E92.6Very high93.4Very high188 Ų18865.6 Ų65.688%0.87935%0.347SS*.  trans-80.7121.5-180-65.1-173.3167.500111.5W85W85-E111 WeakPolarHBondContact CZ2-O 3.43Å
112A95.9Very high93.3Very high32 Ų3265.2 Ų65.226%0.26435%0.346SS..  trans-142158.6171.200000109.6V77 W85 F101 T103 D114V77-A112 HydrophobicContact CG2-CB 4.31Å; W85-A112 HydrophobicContact CH2-CB 3.37Å; W85-A112 HydrophobicContact CZ2-CB 3.3Å; W85-A112 HydrophobicContact CZ3-CB 4.44Å; F101-A112 HydrophobicContact CB-CB 3.92Å; F101-A112 CarbonylContact O-C 3.57Å; F101-A112 VanDerWaalsContact O-CA 3.29Å; F101-A112 WeakPolarHBondContact O-CA 3Å; F101-A112 VanDerWaalsContact O-CB 3.23Å; F101-A112 WeakPolarHBondContact O-CB 3.41Å; T103-A112 HydrophobicContact CG2-CB 3.77Å; A112-D114 PolarHBondContact O-N 3.22Å
113I97Very high93.2Very high47 Ų4765.7 Ų65.724%0.24135%0.348CS..EExtended strand (participates in β ladder)trans-74.7111.1170-62.6169.4000107.9E100 F101 Y102 T103 L115 H130E100-I113 HydrophobicContact CB-CD1 4.09Å; E100-I113 VanDerWaalsContact CD-CD1 3.49Å; E100-I113 HydrophobicContact CG-CD1 4.08Å; E100-I113 WeakPolarHBondContact OE2-CD1 3.42Å; F101-I113 PolarHBondContact O-N 2.76Å; Y102-I113 HydrophobicContact CD1-CB 3.81Å; Y102-I113 HydrophobicContact CD1-CD1 4.17Å; Y102-I113 HydrophobicContact CD1-CG2 3.99Å; Y102-I113 HydrophobicContact CE1-CB 4.05Å; Y102-I113 HydrophobicContact CE1-CD1 3.56Å; Y102-I113 HydrophobicContact CE1-CG1 4.4Å; Y102-I113 HydrophobicContact CE1-CG2 4.11Å; T103-I113 PolarHBondContact N-O 2.68Å; I113-L115 HydrophobicContact CG2-CD2 3.78Å; I113-L115 HydrophobicContact CG2-CG 4.38Å; I113-L115 PolarHBondContact O-N 2.88Å; I113-H130 WeakPolarHBondContact CD1-CE1 3.19Å
114D96.3Very high93.3Very high69 Ų6965.9 Ų65.937%0.36935%0.349SS..EExtended strand (participates in β ladder)trans-77.2112.1172.4-173.1-4.3000109.9T103 E105 A106 A112 N116T103-D114 HydrophobicContact CG2-CB 4.39Å; E105-D114 WeakPolarHBondContact CA-OD1 3.5Å; E105-D114 PolarHBondContact N-OD1 3.35Å; A106-D114 HydrophobicContact CB-CB 4.33Å; A106-D114 PolarHBondContact N-OD2 2.88Å; A112-D114 PolarHBondContact O-N 3.22Å; D114-N116 VanDerWaalsContact C-N 3.32Å; D114-N116 WeakPolarHBondContact OD1-CA 3.5Å; D114-N116 PolarHBondContact OD1-N 2.98Å
115L96.6Very high93.4Very high24 Ų2466 Ų6613%0.12635%0.347CS..  trans-88.8-2.9179.3-62.6176000112.9Y102 T103 I113 E117 R123 K126 A127Y102-L115 HydrophobicContact CD1-CD1 3.81Å; Y102-L115 HydrophobicContact CD1-CD2 4.11Å; Y102-L115 HydrophobicContact CD1-CG 4.13Å; Y102-L115 HydrophobicContact CG-CD1 4.26Å; T103-L115 PolarHBondContact O-N 2.98Å; I113-L115 HydrophobicContact CG2-CD2 3.78Å; I113-L115 HydrophobicContact CG2-CG 4.38Å; I113-L115 PolarHBondContact O-N 2.88Å; L115-E117 HydrophobicContact CB-CB 4.48Å; L115-E117 PolarHBondContact O-N 3.15Å; L115-R123 HydrophobicContact CB-CG 4.13Å; L115-R123 HydrophobicContact CD1-CG 3.59Å; L115-R123 WeakPolarHBondContact CD1-O 3.44Å; L115-R123 HydrophobicContact CG-CG 4.47Å; L115-K126 HydrophobicContact CB-CB 4.43Å; L115-K126 HydrophobicContact CB-CD 4.32Å; L115-K126 HydrophobicContact CD1-CB 3.99Å; L115-K126 HydrophobicContact CD2-CB 4.07Å; L115-K126 HydrophobicContact CG-CB 4.4Å; L115-K126 PolarHBondContact O-NZ 3.42Å; L115-A127 HydrophobicContact CD1-CB 3.82Å
116N95.3Very high93.7Very high136 Ų13664.5 Ų64.573%0.72734%0.339SS*.  trans44.948.4-177.2-171.528.7000111.5D114D114-N116 VanDerWaalsContact C-N 3.32Å; D114-N116 WeakPolarHBondContact OD1-CA 3.5Å; D114-N116 PolarHBondContact OD1-N 2.98Å
117E95Very high94.2Very high40 Ų4061 Ų6119%0.18731%0.31CS..  trans-140.3120.6-173.4-173.351.2-101.300111.4S104 L115 D119 A122 R123 K126S104-E117 WeakPolarHBondContact CA-O 3.26Å; S104-E117 WeakPolarHBondContact CB-O 3.39Å; L115-E117 HydrophobicContact CB-CB 4.48Å; L115-E117 PolarHBondContact O-N 3.15Å; E117-D119 PolarHBondContact OE1-N 2.83Å; E117-D119 VanDerWaalsContact OE1-N 3.15Å; E117-A122 HydrophobicContact CG-CB 3.69Å; E117-R123 HydrophobicContact CB-CB 4Å; E117-R123 HydrophobicContact CB-CG 4.33Å; E117-R123 HydrophobicContact CG-CB 3.91Å; E117-R123 WeakPolarHBondContact O-CD 3.48Å; E117-R123 PolarHBondContact O-NH1 3.46Å; E117-K126 HydrophobicContact CB-CD 3.99Å; E117-K126 HydrophobicContact CG-CD 4.28Å; E117-K126 IonicContact OE2-NZ 3.28Å; E117-K126 PolarHBondContact OE2-NZ 3.48Å
118K92.7Very high94.9Very high174 Ų17459.5 Ų59.576%0.75730%0.299SS*.  trans-91-31.1-175.6-67.2-172.6179.9-176.30112.4D120 R123K118-D120 PolarHBondContact O-N 3.23Å; K118-R123 PolarHBondContact O-NH1 3.35Å
119D92.4Very high95.4Very high44 Ų4452.9 Ų52.924%0.23527%0.27CS..SBendtrans-71.2124.6175.9-178.8-97.2000109.9E117 W121 A122 R123 K217E117-D119 PolarHBondContact OE1-N 2.83Å; E117-D119 VanDerWaalsContact OE1-N 3.15Å; D119-W121 VanDerWaalsContact C-N 3.3Å; D119-W121 PolarHBondContact O-N 3.05Å; D119-W121 WeakPolarHBondContact OD1-CB 3.37Å; D119-W121 PolarHBondContact OD1-N 3.22Å; D119-A122 HydrophobicContact CB-CB 4.1Å; D119-A122 PolarHBondContact O-N 3.27Å; D119-A122 PolarHBondContact OD1-N 2.92Å; D119-R123 VanDerWaalsContact O-CB 3.24Å; D119-R123 WeakPolarHBondContact O-CB 3.24Å; D119-R123 PolarHBondContact O-N 3.08Å; D119-K217 IonicContact OD2-NZ 2.86Å; D119-K217 PolarHBondContact OD2-NZ 3.26Å
120D92.9Very high95.9Very high61 Ų6152.2 Ų52.233%0.32626%0.256SS..Hα-helixtrans-62.8-36.5-172.6-63-39.6000112.6Q78 K118 R123 L124 D220Q78-D120 PolarHBondContact NE2-OD1 3.49Å; K118-D120 PolarHBondContact O-N 3.23Å; D120-R123 IonicContact OD1-CZ 3.11Å; D120-R123 VanDerWaalsContact OD1-CZ 3.31Å; D120-R123 IonicContact OD1-NH1 3.61Å; D120-R123 PolarHBondContact OD1-NH1 3.15Å; D120-R123 VanDerWaalsContact OD1-NH1 3.14Å; D120-R123 IonicContact OD1-NH2 2.84Å; D120-R123 PolarHBondContact OD1-NH2 2.97Å; D120-L124 WeakPolarHBondContact O-CB 3.37Å; D120-L124 PolarHBondContact O-N 3.18Å; D120-D220 VanDerWaalsContact CB-OD2 3.24Å; D120-D220 WeakPolarHBondContact CB-OD2 3.31Å
121W94.6Very high96.2Very high1 Ų150.4 Ų50.40%0.00425%0.247CC..Hα-helixtrans-71.4-49.6177.7168.3-121.1000112.2D119 R123 L124 R125 F202 P209 Q223 L224 C227D119-W121 VanDerWaalsContact C-N 3.3Å; D119-W121 PolarHBondContact O-N 3.05Å; D119-W121 WeakPolarHBondContact OD1-CB 3.37Å; D119-W121 PolarHBondContact OD1-N 3.22Å; W121-R123 PolarHBondContact O-N 3.34Å; W121-L124 HydrophobicContact CE3-CD2 4.26Å; W121-L124 HydrophobicContact CZ3-CD2 4.22Å; W121-L124 PolarHBondContact O-N 3.32Å; W121-L124 VanDerWaalsContact O-N 3.15Å; W121-R125 HydrophobicContact CD2-CG 4.12Å; W121-R125 VanDerWaalsContact CE2-CD 3.46Å; W121-R125 HydrophobicContact CE3-CG 4.35Å; W121-R125 HydrophobicContact CH2-CG 3.89Å; W121-R125 HydrophobicContact CZ2-CG 3.65Å; W121-R125 HydrophobicContact CZ3-CG 4.24Å; W121-R125 WeakPolarHBondContact O-CG 3.11Å; W121-R125 PolarHBondContact O-N 3.26Å; W121-F202 HydrophobicContact CH2-CE1 4.36Å; W121-P209 PolarHBondContact NE1-O 2.75Å; W121-Q223 VanDerWaalsContact CB-NE2 3.33Å; W121-Q223 HydrophobicContact CD2-CB 3.64Å; W121-Q223 HydrophobicContact CD2-CG 4.44Å; W121-Q223 HydrophobicContact CE3-CB 3.83Å; W121-Q223 HydrophobicContact CG-CB 4.12Å; W121-Q223 HydrophobicContact CG-CG 4.43Å; W121-Q223 HydrophobicContact CH2-CB 4.33Å; W121-Q223 HydrophobicContact CZ2-CB 4.13Å; W121-Q223 HydrophobicContact CZ3-CB 4.18Å; W121-L224 HydrophobicContact CH2-CB 4.2Å; W121-L224 HydrophobicContact CZ3-CB 3.84Å; W121-C227 WeakPolarHBondContact CZ2-SG 3.26Å
122A95.6Very high96.5Very high3 Ų344 Ų443%0.02522%0.215CC..Hα-helixtrans-59.3-36.5174.900000111.6E117 D119 R125 K126 E210E117-A122 HydrophobicContact CG-CB 3.69Å; D119-A122 HydrophobicContact CB-CB 4.1Å; D119-A122 PolarHBondContact O-N 3.27Å; D119-A122 PolarHBondContact OD1-N 2.92Å; A122-R125 WeakPolarHBondContact O-CB 3.23Å; A122-R125 PolarHBondContact O-N 3.08Å; A122-K126 WeakPolarHBondContact O-CG 3.41Å; A122-K126 PolarHBondContact O-N 2.89Å; A122-K126 VanDerWaalsContact O-N 3.08Å; A122-E210 HydrophobicContact CB-CG 4.12Å
123R96.3Very high96.6Very high11 Ų1148.1 Ų48.14%0.04223%0.228CC..Hα-helixtrans-66.6-44.2174.8-170.2171.864.4-107.6-4.4111.7M76 L115 E117 K118 D119 D120 W121 R125 K126 A127M76-R123 HydrophobicContact CE-CG 4.04Å; L115-R123 HydrophobicContact CB-CG 4.13Å; L115-R123 HydrophobicContact CD1-CG 3.59Å; L115-R123 WeakPolarHBondContact CD1-O 3.44Å; L115-R123 HydrophobicContact CG-CG 4.47Å; E117-R123 HydrophobicContact CB-CB 4Å; E117-R123 HydrophobicContact CB-CG 4.33Å; E117-R123 HydrophobicContact CG-CB 3.91Å; E117-R123 WeakPolarHBondContact O-CD 3.48Å; E117-R123 PolarHBondContact O-NH1 3.46Å; K118-R123 PolarHBondContact O-NH1 3.35Å; D119-R123 VanDerWaalsContact O-CB 3.24Å; D119-R123 WeakPolarHBondContact O-CB 3.24Å; D119-R123 PolarHBondContact O-N 3.08Å; D120-R123 IonicContact OD1-CZ 3.11Å; D120-R123 VanDerWaalsContact OD1-CZ 3.31Å; D120-R123 IonicContact OD1-NH1 3.61Å; D120-R123 PolarHBondContact OD1-NH1 3.15Å; D120-R123 VanDerWaalsContact OD1-NH1 3.14Å; D120-R123 IonicContact OD1-NH2 2.84Å; D120-R123 PolarHBondContact OD1-NH2 2.97Å; W121-R123 PolarHBondContact O-N 3.34Å; R123-R125 VanDerWaalsContact C-N 3.33Å; R123-R125 PolarHBondContact O-N 3.17Å; R123-K126 PolarHBondContact O-N 3.45Å; R123-A127 PolarHBondContact O-N 2.86Å
124L97.6Very high96.6Very high3 Ų349.4 Ų49.42%0.01624%0.236CC..Hα-helixtrans-60.5-41.6175.2-179.660.6000111.6M76 D120 W121 K126 A127 L128 V143 L184 D220 L224M76-L124 HydrophobicContact CE-CB 4.31Å; M76-L124 HydrophobicContact CE-CD1 4.26Å; M76-L124 HydrophobicContact CG-CD1 4.24Å; M76-L124 HydrophobicContact SD-CD1 4Å; D120-L124 WeakPolarHBondContact O-CB 3.37Å; D120-L124 PolarHBondContact O-N 3.18Å; W121-L124 HydrophobicContact CE3-CD2 4.26Å; W121-L124 HydrophobicContact CZ3-CD2 4.22Å; W121-L124 PolarHBondContact O-N 3.32Å; W121-L124 VanDerWaalsContact O-N 3.15Å; L124-K126 PolarHBondContact O-N 3.09Å; L124-A127 PolarHBondContact O-N 3.48Å; L124-L128 HydrophobicContact CD1-CD1 4.01Å; L124-L128 HydrophobicContact CD1-CG 4.01Å; L124-L128 HydrophobicContact CG-CD1 3.94Å; L124-L128 HydrophobicContact CG-CG 4.36Å; L124-L128 WeakPolarHBondContact O-CB 3.47Å; L124-L128 WeakPolarHBondContact O-CG 3.32Å; L124-L128 PolarHBondContact O-N 3.38Å; L124-V143 HydrophobicContact CD1-CG1 3.89Å; L124-L184 HydrophobicContact CD2-CD2 4.48Å; L124-D220 HydrophobicContact CD2-CB 4.39Å; L124-L224 HydrophobicContact CD2-CD1 4.39Å
125R97.6Very high96.6Very high19 Ų1946.4 Ų46.47%0.07222%0.221CC..Hα-helixtrans-56.8-48.4173.5-70.3170.950.5139-6.5111.8W121 A122 R123 L128 K129 F202 C208 P209 E210W121-R125 HydrophobicContact CD2-CG 4.12Å; W121-R125 VanDerWaalsContact CE2-CD 3.46Å; W121-R125 HydrophobicContact CE3-CG 4.35Å; W121-R125 HydrophobicContact CH2-CG 3.89Å; W121-R125 HydrophobicContact CZ2-CG 3.65Å; W121-R125 HydrophobicContact CZ3-CG 4.24Å; W121-R125 WeakPolarHBondContact O-CG 3.11Å; W121-R125 PolarHBondContact O-N 3.26Å; A122-R125 WeakPolarHBondContact O-CB 3.23Å; A122-R125 PolarHBondContact O-N 3.08Å; R123-R125 VanDerWaalsContact C-N 3.33Å; R123-R125 PolarHBondContact O-N 3.17Å; R125-L128 PolarHBondContact O-N 3.11Å; R125-K129 WeakPolarHBondContact O-CB 3.08Å; R125-K129 PolarHBondContact O-N 2.82Å; R125-F202 HydrophobicContact CB-CD2 4.31Å; R125-F202 HydrophobicContact CB-CE1 4.21Å; R125-F202 HydrophobicContact CB-CE2 3.96Å; R125-F202 HydrophobicContact CB-CZ 3.9Å; R125-F202 HydrophobicContact CG-CD1 4.05Å; R125-F202 HydrophobicContact CG-CE1 3.67Å; R125-F202 HydrophobicContact CG-CE2 4.33Å; R125-F202 HydrophobicContact CG-CZ 3.82Å; R125-F202 PolarHBondContact NH2-O 3.24Å; R125-F202 VanDerWaalsContact O-CE2 3.3Å; R125-F202 WeakPolarHBondContact O-CE2 3.46Å; R125-C208 PolarHBondContact NH1-O 2.85Å; R125-P209 VanDerWaalsContact NH1-C 3.33Å; R125-P209 PolarHBondContact NH1-O 3.09Å; R125-E210 VanDerWaalsContact NH1-N 3.19Å
126K98.2Very high96.6Very high72 Ų7248 Ų4831%0.31324%0.243SC..Hα-helixtrans-62.4-42.6177.7-72.8174.8175.9171.40111.9L115 E117 A122 R123 L124 K129 H130L115-K126 HydrophobicContact CB-CB 4.43Å; L115-K126 HydrophobicContact CB-CD 4.32Å; L115-K126 HydrophobicContact CD1-CB 3.99Å; L115-K126 HydrophobicContact CD2-CB 4.07Å; L115-K126 HydrophobicContact CG-CB 4.4Å; L115-K126 PolarHBondContact O-NZ 3.42Å; E117-K126 HydrophobicContact CB-CD 3.99Å; E117-K126 HydrophobicContact CG-CD 4.28Å; E117-K126 IonicContact OE2-NZ 3.28Å; E117-K126 PolarHBondContact OE2-NZ 3.48Å; A122-K126 WeakPolarHBondContact O-CG 3.41Å; A122-K126 PolarHBondContact O-N 2.89Å; A122-K126 VanDerWaalsContact O-N 3.08Å; R123-K126 PolarHBondContact O-N 3.45Å; L124-K126 PolarHBondContact O-N 3.09Å; K126-K129 PolarHBondContact O-N 3.36Å; K126-H130 WeakPolarHBondContact O-CB 3.46Å; K126-H130 PolarHBondContact O-N 3.26Å
127A98.6Very high96.6Very high0 Ų047.7 Ų47.70%024%0.242CC..Hα-helixtrans-62.1-49.1176.900000111.9V74 M76 Y102 L115 R123 L124 K129 H130 A131V74-A127 HydrophobicContact CG1-CB 4.2Å; M76-A127 HydrophobicContact CE-CB 3.9Å; M76-A127 HydrophobicContact SD-CB 3.68Å; Y102-A127 HydrophobicContact CD1-CB 3.76Å; Y102-A127 HydrophobicContact CD2-CB 3.91Å; Y102-A127 HydrophobicContact CE1-CB 4.16Å; Y102-A127 HydrophobicContact CE2-CB 4.31Å; Y102-A127 HydrophobicContact CG-CB 3.59Å; L115-A127 HydrophobicContact CD1-CB 3.82Å; R123-A127 PolarHBondContact O-N 2.86Å; L124-A127 PolarHBondContact O-N 3.48Å; A127-K129 PolarHBondContact O-N 3.08Å; A127-H130 PolarHBondContact O-N 3.05Å; A127-A131 WeakPolarHBondContact O-CB 3.35Å; A127-A131 PolarHBondContact O-N 3.43Å
128L98.7Very high96.7Very high0 Ų046.4 Ų46.40%024%0.236CC..Hα-helixtrans-64.4-39.1179.4-73.2175.8000112.4L124 R125 A131 Y132 V143 L190 L195 L198 F202 L224L124-L128 HydrophobicContact CD1-CD1 4.01Å; L124-L128 HydrophobicContact CD1-CG 4.01Å; L124-L128 HydrophobicContact CG-CD1 3.94Å; L124-L128 HydrophobicContact CG-CG 4.36Å; L124-L128 WeakPolarHBondContact O-CB 3.47Å; L124-L128 WeakPolarHBondContact O-CG 3.32Å; L124-L128 PolarHBondContact O-N 3.38Å; R125-L128 PolarHBondContact O-N 3.11Å; L128-A131 PolarHBondContact O-N 3.38Å; L128-Y132 WeakPolarHBondContact O-CB 3.41Å; L128-Y132 PolarHBondContact O-N 3.21Å; L128-V143 HydrophobicContact CD2-CG2 3.7Å; L128-L190 HydrophobicContact CD1-CD1 4.48Å; L128-L190 HydrophobicContact CD2-CD1 3.8Å; L128-L195 HydrophobicContact CB-CD1 3.87Å; L128-L195 HydrophobicContact CD2-CD1 4.07Å; L128-L195 HydrophobicContact CG-CD1 4.44Å; L128-L198 HydrophobicContact CD1-CD2 3.77Å; L128-F202 HydrophobicContact CB-CZ 4.46Å; L128-L224 HydrophobicContact CD1-CD1 4.06Å
129K98.7Very high96.9Very high85 Ų8541.4 Ų41.437%0.3721%0.212SC..Hα-helixtrans-62.3-47.9172.8-177.8178174.4-176.30111.4R125 K126 A127 A131 Y132 E133 V199 F202R125-K129 WeakPolarHBondContact O-CB 3.08Å; R125-K129 PolarHBondContact O-N 2.82Å; K126-K129 PolarHBondContact O-N 3.36Å; A127-K129 PolarHBondContact O-N 3.08Å; K129-A131 PolarHBondContact O-N 2.83Å; K129-Y132 PolarHBondContact O-N 2.81Å; K129-E133 WeakPolarHBondContact CE-OE1 3.41Å; K129-E133 IonicContact NZ-OE1 2.92Å; K129-E133 WeakPolarHBondContact O-CG 3.42Å; K129-E133 PolarHBondContact O-N 3.3Å; K129-V199 HydrophobicContact CB-CG2 4.42Å; K129-V199 HydrophobicContact CG-CG1 4.08Å; K129-F202 HydrophobicContact CB-CE2 4.36Å
130H98.7Very high97.2Very high50 Ų5039.7 Ų39.723%0.23120%0.202CC..Hα-helixtrans-60.2-45.8177.3-178-81.1000111.5E100 Y102 I113 K126 A127 Y132 E133 N134E100-H130 IonicContact OE1-CE1 2.93Å; E100-H130 IonicContact OE2-CE1 3.86Å; E100-H130 PolarHBondContact OE2-CE1 2.92Å; E100-H130 IonicContact OE2-ND1 3.3Å; E100-H130 PolarHBondContact OE2-ND1 3.48Å; E100-H130 VanDerWaalsContact OE2-ND1 3.11Å; Y102-H130 HydrophobicContact CE1-CB 3.94Å; Y102-H130 AromaticContact CE1-CG 3.89Å; Y102-H130 AromaticContact CE1-ND1 3.64Å; Y102-H130 AromaticContact CZ-ND1 3.76Å; Y102-H130 PolarHBondContact OH-ND1 3.47Å; I113-H130 WeakPolarHBondContact CD1-CE1 3.19Å; K126-H130 WeakPolarHBondContact O-CB 3.46Å; K126-H130 PolarHBondContact O-N 3.26Å; A127-H130 PolarHBondContact O-N 3.05Å; H130-Y132 PolarHBondContact O-N 3.44Å; H130-E133 PolarHBondContact O-N 2.93Å; H130-N134 PolarHBondContact CD2-ND2 2.9Å; H130-N134 PolarHBondContact CE1-ND2 3.44Å; H130-N134 VanDerWaalsContact CE1-ND2 3.31Å; H130-N134 PolarHBondContact NE2-ND2 3.37Å; H130-N134 WeakPolarHBondContact O-CB 3.22Å; H130-N134 PolarHBondContact O-N 3.36Å; H130-N134 PolarHBondContact O-ND2 2.75Å
131A98.7Very high97.5Very high0 Ų036.8 Ų36.80%019%0.187CC..Hα-helixtrans-59.8-44.8177.600000111.8Y72 V74 A127 L128 K129 N134 A135 F141Y72-A131 HydrophobicContact CD1-CB 4.39Å; Y72-A131 HydrophobicContact CE1-CB 3.92Å; Y72-A131 VanDerWaalsContact CE1-O 3.31Å; Y72-A131 WeakPolarHBondContact CE1-O 3.46Å; V74-A131 HydrophobicContact CG2-CB 3.65Å; A127-A131 WeakPolarHBondContact O-CB 3.35Å; A127-A131 PolarHBondContact O-N 3.43Å; L128-A131 PolarHBondContact O-N 3.38Å; K129-A131 PolarHBondContact O-N 2.83Å; A131-N134 CarbonylContact O-C 3.53Å; A131-N134 PolarHBondContact O-N 3.48Å; A131-A135 WeakPolarHBondContact O-CA 3.41Å; A131-A135 WeakPolarHBondContact O-CB 3.49Å; A131-A135 PolarHBondContact O-N 2.77Å; A131-F141 HydrophobicContact CB-CD1 4.25Å; A131-F141 HydrophobicContact CB-CE1 4.47Å
132Y98.6Very high97.7Very high54 Ų5436.7 Ų36.721%0.21219%0.187CC..Hα-helixtrans-59.5-46.9175.7176.7-107000112.4L128 K129 H130 N134 Y192 L195 K196 V199L128-Y132 WeakPolarHBondContact O-CB 3.41Å; L128-Y132 PolarHBondContact O-N 3.21Å; K129-Y132 PolarHBondContact O-N 2.81Å; H130-Y132 PolarHBondContact O-N 3.44Å; Y132-N134 VanDerWaalsContact C-N 3.27Å; Y132-N134 PolarHBondContact O-N 3.11Å; Y132-Y192 HydrophobicContact CD2-CE2 4.34Å; Y132-Y192 AromaticContact CE2-CE2 3.87Å; Y132-Y192 HydrophobicContact CE2-CE2 3.87Å; Y132-Y192 AromaticContact CE2-CZ 3.96Å; Y132-L195 HydrophobicContact CD2-CD2 4.32Å; Y132-L195 HydrophobicContact CD2-CG 4.14Å; Y132-L195 HydrophobicContact CG-CG 4.41Å; Y132-K196 HydrophobicContact CD2-CB 4.5Å; Y132-K196 HydrophobicContact CE2-CB 3.66Å; Y132-K196 HydrophobicContact CE2-CG 4.18Å; Y132-K196 WeakPolarHBondContact OH-CG 3.2Å; Y132-V199 HydrophobicContact CD1-CB 4.29Å; Y132-V199 HydrophobicContact CD1-CG1 4.04Å; Y132-V199 HydrophobicContact CD1-CG2 4.25Å; Y132-V199 HydrophobicContact CG-CG2 4.13Å
133E98.3Very high97.8Very high117 Ų11736.6 Ų36.655%0.54719%0.186SC..Hα-helixtrans-68.2-26.2-178.8-70.7172.4168.800112.8K129 H130K129-E133 WeakPolarHBondContact CE-OE1 3.41Å; K129-E133 IonicContact NZ-OE1 2.92Å; K129-E133 WeakPolarHBondContact O-CG 3.42Å; K129-E133 PolarHBondContact O-N 3.3Å; H130-E133 PolarHBondContact O-N 2.93Å
134N98Very high97.9Very high74 Ų7436.1 Ų36.140%0.39618%0.184SC..THydrogen-bonded Turntrans-111.215.3-176.4-64.7-85.3000113.6K98 H130 A131 Y132 G136K98-N134 PolarHBondContact NZ-O 3.22Å; H130-N134 PolarHBondContact CD2-ND2 2.9Å; H130-N134 PolarHBondContact CE1-ND2 3.44Å; H130-N134 VanDerWaalsContact CE1-ND2 3.31Å; H130-N134 PolarHBondContact NE2-ND2 3.37Å; H130-N134 WeakPolarHBondContact O-CB 3.22Å; H130-N134 PolarHBondContact O-N 3.36Å; H130-N134 PolarHBondContact O-ND2 2.75Å; A131-N134 CarbonylContact O-C 3.53Å; A131-N134 PolarHBondContact O-N 3.48Å; Y132-N134 VanDerWaalsContact C-N 3.27Å; Y132-N134 PolarHBondContact O-N 3.11Å; N134-G136 VanDerWaalsContact C-N 3.34Å; N134-G136 PolarHBondContact O-N 3.45Å
135A96.6Very high97.8Very high6 Ų638.1 Ų38.15%0.0519%0.193CC..  trans-71.4-26.6-175.200000113.8Y72 A131 D137 I138 F141Y72-A135 HydrophobicContact CD1-CB 4.38Å; A131-A135 WeakPolarHBondContact O-CA 3.41Å; A131-A135 WeakPolarHBondContact O-CB 3.49Å; A131-A135 PolarHBondContact O-N 2.77Å; A135-D137 PolarHBondContact O-N 2.02Å; A135-I138 WeakPolarHBondContact O-CB 3.39Å; A135-I138 WeakPolarHBondContact O-CG1 3.33Å; A135-I138 PolarHBondContact O-N 3.29Å; A135-I138 VanDerWaalsContact O-N 3.08Å; A135-F141 HydrophobicContact CB-CE1 3.6Å; A135-F141 HydrophobicContact CB-CZ 3.52Å
136G95.9Very high97.6Very high58 Ų5838.2 Ų38.260%0.59820%0.196SC*.THydrogen-bonded Turntrans57.2-122.3-167.700000110.8N134 R139N134-G136 VanDerWaalsContact C-N 3.34Å; N134-G136 PolarHBondContact O-N 3.45Å; G136-R139 PolarHBondContact O-NH1 3.35Å
137D94.4Very high97.6Very high130 Ų13036.7 Ų36.770%0.69519%0.191SC*.THydrogen-bonded Turntrans-88.9-2.1179.4-64.5-41.4000114A135 R139A135-D137 PolarHBondContact O-N 2.02Å; D137-R139 WeakPolarHBondContact O-CG 3.09Å; D137-R139 PolarHBondContact O-NH1 3.01Å; D137-R139 IonicContact OD1-NH2 2.72Å
138I96.9Very high97.5Very high12 Ų1236.7 Ų36.76%0.06219%0.191CC..  trans-69136.7179.7-54.6172.6000110.2Q70 Y72 K98 A135Q70-I138 HydrophobicContact CB-CB 4.44Å; Q70-I138 HydrophobicContact CB-CG1 3.98Å; Q70-I138 HydrophobicContact CB-CG2 4.1Å; Q70-I138 WeakPolarHBondContact O-CG2 3.29Å; Y72-I138 HydrophobicContact CD1-CD1 4.46Å; K98-I138 HydrophobicContact CB-CD1 3.42Å; K98-I138 VanDerWaalsContact CB-CD1 3.42Å; K98-I138 HydrophobicContact CD-CD1 3.99Å; K98-I138 HydrophobicContact CG-CD1 4.32Å; A135-I138 WeakPolarHBondContact O-CB 3.39Å; A135-I138 WeakPolarHBondContact O-CG1 3.33Å; A135-I138 PolarHBondContact O-N 3.29Å; A135-I138 VanDerWaalsContact O-N 3.08Å
139R97.4Very high97.5Very high69 Ų6936.7 Ų36.726%0.2619%0.191SC..  trans-120.9-5.7-174.6-60.1-60.8172.7-110.2-3.2114.9G136 D137 P164 Y192G136-R139 PolarHBondContact O-NH1 3.35Å; D137-R139 WeakPolarHBondContact O-CG 3.09Å; D137-R139 PolarHBondContact O-NH1 3.01Å; D137-R139 IonicContact OD1-NH2 2.72Å; R139-P164 HydrophobicContact CB-CB 3.72Å; R139-P164 HydrophobicContact CB-CG 3.83Å; R139-P164 HydrophobicContact CG-CG 4.3Å; R139-Y192 WeakPolarHBondContact O-CB 3.36Å; R139-Y192 PolarHBondContact O-N 3.19Å
140W98.4Very high97.5Very high8 Ų832.7 Ų32.73%0.0317%0.174CC..EExtended strand (participates in β ladder)trans-119.9130.9176-61.1102.1000110.8L69 V71 Y72 V159 K162 P164 F168 V189L69-W140 VanDerWaalsContact CD1-NE1 3.25Å; V71-W140 HydrophobicContact CG2-CB 4.27Å; Y72-W140 PolarHBondContact N-O 3.08Å; W140-V159 HydrophobicContact CD2-CB 4.22Å; W140-V159 HydrophobicContact CD2-CG1 4.46Å; W140-V159 HydrophobicContact CD2-CG2 4.01Å; W140-V159 HydrophobicContact CE3-CB 4.3Å; W140-V159 HydrophobicContact CE3-CG1 4.1Å; W140-V159 HydrophobicContact CE3-CG2 4.47Å; W140-V159 HydrophobicContact CG-CG2 4.34Å; W140-V159 HydrophobicContact CH2-CB 3.91Å; W140-V159 HydrophobicContact CH2-CG1 4.12Å; W140-V159 HydrophobicContact CZ2-CB 3.78Å; W140-V159 HydrophobicContact CZ2-CG1 4.45Å; W140-V159 HydrophobicContact CZ2-CG2 4.22Å; W140-V159 HydrophobicContact CZ3-CB 4.16Å; W140-V159 HydrophobicContact CZ3-CG1 3.92Å; W140-K162 HydrophobicContact CH2-CB 3.78Å; W140-K162 HydrophobicContact CZ2-CB 4.04Å; W140-P164 HydrophobicContact CH2-CB 4.21Å; W140-P164 HydrophobicContact CZ2-CB 3.81Å; W140-P164 HydrophobicContact CZ2-CG 4.42Å; W140-F168 HydrophobicContact CH2-CE1 4.21Å; W140-F168 AromaticContact CH2-CZ 3.64Å; W140-F168 HydrophobicContact CH2-CZ 3.64Å; W140-F168 HydrophobicContact CZ3-CE1 4.49Å; W140-F168 HydrophobicContact CZ3-CE2 4.33Å; W140-F168 AromaticContact CZ3-CZ 3.83Å; W140-F168 HydrophobicContact CZ3-CZ 3.83Å; W140-V189 HydrophobicContact CE3-CG1 4.03Å
141F98.8Very high97.4Very high0 Ų031.1 Ų31.10%017%0.167CC..EExtended strand (participates in β ladder)trans-122116.5-177.4-56.8-95.9000109.8Y72 A131 A135 V189 L190 Y192 L195Y72-F141 AromaticContact CD1-CD1 3.92Å; Y72-F141 HydrophobicContact CD1-CD1 3.92Å; Y72-F141 AromaticContact CD1-CE1 3.73Å; Y72-F141 HydrophobicContact CD1-CE1 3.73Å; Y72-F141 HydrophobicContact CE1-CE1 4.46Å; Y72-F141 HydrophobicContact CG-CD1 4.19Å; Y72-F141 HydrophobicContact CG-CE1 4.42Å; Y72-F141 CarbonylContact O-C 3.51Å; Y72-F141 WeakPolarHBondContact O-CA 3.19Å; A131-F141 HydrophobicContact CB-CD1 4.25Å; A131-F141 HydrophobicContact CB-CE1 4.47Å; A135-F141 HydrophobicContact CB-CE1 3.6Å; A135-F141 HydrophobicContact CB-CZ 3.52Å; F141-V189 CarbonylContact O-C 3.52Å; F141-V189 VanDerWaalsContact O-CA 3.29Å; F141-V189 WeakPolarHBondContact O-CA 3.4Å; F141-L190 HydrophobicContact CB-CB 4.33Å; F141-L190 PolarHBondContact N-O 3.36Å; F141-L190 PolarHBondContact O-N 3.41Å; F141-Y192 HydrophobicContact CE2-CD2 4.04Å; F141-Y192 HydrophobicContact CZ-CD2 4.34Å; F141-L195 HydrophobicContact CB-CD2 4.17Å; F141-L195 HydrophobicContact CD1-CD2 3.47Å; F141-L195 VanDerWaalsContact CD1-CD2 3.47Å; F141-L195 HydrophobicContact CD2-CB 4.22Å; F141-L195 HydrophobicContact CD2-CD2 3.51Å; F141-L195 HydrophobicContact CE1-CD2 3.59Å; F141-L195 HydrophobicContact CE2-CB 4.45Å; F141-L195 HydrophobicContact CE2-CD2 3.66Å; F141-L195 HydrophobicContact CG-CD2 3.42Å; F141-L195 VanDerWaalsContact CG-CD2 3.42Å; F141-L195 HydrophobicContact CZ-CD2 3.69Å
142F98.8Very high97.3Very high0 Ų031.1 Ų31.10%017%0.167CC..EExtended strand (participates in β ladder)trans-105.3110.7-179.5177.4-126.8000110.8V71 Y72 C73 V74 W92 A144 A150 I152 L155 I188 V189 F247 T278V71-F142 HydrophobicContact CG1-CB 3.85Å; Y72-F142 PolarHBondContact O-N 3.2Å; C73-F142 CarbonylContact C-O 3.51Å; C73-F142 WeakPolarHBondContact CA-O 3.44Å; V74-F142 PolarHBondContact N-O 3.03Å; W92-F142 HydrophobicContact CH2-CD1 4.27Å; W92-F142 AromaticContact CH2-CE1 3.79Å; W92-F142 HydrophobicContact CH2-CE1 3.79Å; W92-F142 HydrophobicContact CZ3-CD1 4.06Å; W92-F142 AromaticContact CZ3-CE1 3.76Å; W92-F142 HydrophobicContact CZ3-CE1 3.76Å; F142-A144 HydrophobicContact CD1-CB 4.36Å; F142-A144 HydrophobicContact CE1-CB 3.79Å; F142-A144 HydrophobicContact CZ-CB 4.01Å; F142-A150 HydrophobicContact CE1-CB 3.54Å; F142-A150 HydrophobicContact CZ-CB 3.87Å; F142-I152 HydrophobicContact CD1-CD1 4.19Å; F142-I152 HydrophobicContact CE1-CD1 4.44Å; F142-L155 HydrophobicContact CB-CD2 3.99Å; F142-L155 HydrophobicContact CD2-CD2 4.28Å; F142-L155 HydrophobicContact CG-CD2 4.04Å; F142-I188 CarbonylContact C-O 3.51Å; F142-I188 WeakPolarHBondContact CA-O 3.19Å; F142-V189 HydrophobicContact CB-CG2 4.39Å; F142-V189 HydrophobicContact CD2-CG2 3.51Å; F142-V189 HydrophobicContact CE2-CG2 4.23Å; F142-V189 HydrophobicContact CG-CG2 4.33Å; F142-F247 HydrophobicContact CE2-CE1 4.47Å; F142-T278 HydrophobicContact CE2-CG2 4.01Å; F142-T278 HydrophobicContact CZ-CG2 3.62Å
143V98.8Very high97.2Very high1 Ų130.3 Ų30.31%0.00617%0.165CC..EExtended strand (participates in β ladder)trans-89.5125.2176.4-169.90000109.3V74 M76 L124 L128 L184 G187 I188 L190V74-V143 HydrophobicContact CB-CG2 4.42Å; V74-V143 WeakPolarHBondContact O-CA 3.41Å; M76-V143 HydrophobicContact CG-CG1 4.39Å; L124-V143 HydrophobicContact CD1-CG1 3.89Å; L128-V143 HydrophobicContact CD2-CG2 3.7Å; V143-L184 HydrophobicContact CB-CD1 4.43Å; V143-L184 HydrophobicContact CG1-CD1 3.74Å; V143-G187 WeakPolarHBondContact O-CA 3.49Å; V143-I188 HydrophobicContact CB-CB 4.32Å; V143-I188 PolarHBondContact N-O 3.01Å; V143-I188 PolarHBondContact O-N 3.21Å; V143-L190 HydrophobicContact CG2-CD1 4.07Å
144A97.8Very high97.1Very high0 Ų026.1 Ų26.10%015%0.146CC..EExtended strand (participates in β ladder)trans-135.1154.7-17800000113.1V74 M76 W92 F142V74-A144 PolarHBondContact O-N 3.03Å; M76-A144 PolarHBondContact N-O 3.18Å; W92-A144 HydrophobicContact CH2-CB 3.71Å; W92-A144 HydrophobicContact CZ2-CB 4.05Å; F142-A144 HydrophobicContact CD1-CB 4.36Å; F142-A144 HydrophobicContact CE1-CB 3.79Å; F142-A144 HydrophobicContact CZ-CB 4.01Å
145Q95.9Very high97.1Very high46 Ų4622.6 Ų22.622%0.21513%0.128CC..  trans-89.2160169.6-73.5-173.7-25.500110.4N147 T148 N185Q145-N147 WeakPolarHBondContact CB-OD1 3.41Å; Q145-N147 PolarHBondContact O-N 3.09Å; Q145-T148 PolarHBondContact N-OG1 3.04Å; Q145-T148 WeakPolarHBondContact O-CB 3.44Å; Q145-T148 PolarHBondContact O-N 2.64Å; Q145-T148 VanDerWaalsContact O-N 3.12Å; Q145-T148 PolarHBondContact O-OG1 2.67Å; Q145-N185 VanDerWaalsContact CD-OD1 3.25Å; Q145-N185 PolarHBondContact NE2-OD1 3.03Å; Q145-N185 PolarHBondContact OE1-OD1 2.52Å; Q145-N185 VanDerWaalsContact OE1-OD1 3.05Å
146P94.4Very high97Very high20 Ų2022.9 Ų22.913%0.1313%0.128CC..THydrogen-bonded Turntrans-70.9-18-173.623.1-22.5000113.1M76 V77M76-P146 VanDerWaalsContact O-CD 3.23Å; M76-P146 WeakPolarHBondContact O-CD 3.23Å; V77-P146 HydrophobicContact CG1-CB 4.15Å
147N96.4Very high97Very high41 Ų4122.9 Ų22.922%0.21911%0.11CC..THydrogen-bonded Turntrans-99.813.1176.964.7-14.5000113Y84 Q145 G281 L282Y84-N147 HydrophobicContact CD1-CB 3.95Å; Y84-N147 HydrophobicContact CE1-CB 4.1Å; Q145-N147 WeakPolarHBondContact CB-OD1 3.41Å; Q145-N147 PolarHBondContact O-N 3.09Å; N147-G281 PolarHBondContact O-N 3.24Å; N147-L282 PolarHBondContact O-N 3.46Å; N147-L282 VanDerWaalsContact O-N 3.13Å
148T97.8Very high97Very high0 Ų016.7 Ų16.70%08%0.077CC..  trans-87139170.1-55.10000109.1W92 Q145 T278 F279 S280 M287W92-T148 PolarHBondContact NE1-O 3.39Å; Q145-T148 PolarHBondContact N-OG1 3.04Å; Q145-T148 WeakPolarHBondContact O-CB 3.44Å; Q145-T148 PolarHBondContact O-N 2.64Å; Q145-T148 VanDerWaalsContact O-N 3.12Å; Q145-T148 PolarHBondContact O-OG1 2.67Å; T148-T278 HydrophobicContact CG2-CG2 4.25Å; T148-F279 WeakPolarHBondContact CA-O 3.4Å; T148-S280 PolarHBondContact OG1-OG 3.14Å; T148-M287 WeakPolarHBondContact O-CE 3.35Å
149F98.1Very high97Very high0 Ų016.1 Ų16.10%07%0.074CC..EExtended strand (participates in β ladder)trans-111129.3162.2-173.4-84000108W92 I151 T278 F279 L282 M287 M290 M291 V294 Y295W92-F149 HydrophobicContact CB-CD2 4.15Å; W92-F149 HydrophobicContact CB-CE2 3.98Å; W92-F149 HydrophobicContact CB-CZ 4.19Å; W92-F149 AromaticContact CD1-CD2 3.73Å; W92-F149 HydrophobicContact CG-CD2 4.25Å; F149-I151 HydrophobicContact CE1-CG1 4.1Å; F149-T278 WeakPolarHBondContact O-CA 3.23Å; F149-F279 PolarHBondContact N-O 3.46Å; F149-F279 PolarHBondContact O-N 3.29Å; F149-L282 HydrophobicContact CB-CD1 3.39Å; F149-L282 HydrophobicContact CG-CD1 4.44Å; F149-M287 HydrophobicContact CB-CG 4.42Å; F149-M287 HydrophobicContact CD2-CB 4.17Å; F149-M287 WeakPolarHBondContact CE2-O 3.4Å; F149-M290 HydrophobicContact CD1-CB 3.86Å; F149-M290 HydrophobicContact CD1-CE 4.17Å; F149-M290 HydrophobicContact CD1-CG 4.44Å; F149-M290 HydrophobicContact CD2-CB 3.77Å; F149-M290 HydrophobicContact CE1-CB 3.81Å; F149-M290 HydrophobicContact CE1-CE 4.4Å; F149-M290 HydrophobicContact CE2-CB 3.7Å; F149-M290 HydrophobicContact CG-CB 3.84Å; F149-M290 HydrophobicContact CG-CG 4.38Å; F149-M290 HydrophobicContact CZ-CB 3.72Å; F149-M291 HydrophobicContact CE2-CB 4.05Å; F149-M291 HydrophobicContact CZ-CB 4.42Å; F149-V294 HydrophobicContact CE1-CG2 4.41Å; F149-Y295 HydrophobicContact CE1-CE2 4.25Å; F149-Y295 HydrophobicContact CZ-CD2 4.31Å; F149-Y295 AromaticContact CZ-CE2 3.86Å; F149-Y295 HydrophobicContact CZ-CE2 3.86Å
150A98.1Very high96.8Very high0 Ų013 Ų130%06%0.063CC..EExtended strand (participates in β ladder)trans-121150.2-17900000111.7W92 F142 I152 V277 T278W92-A150 WeakPolarHBondContact CB-O 3.19Å; W92-A150 HydrophobicContact CD2-CB 4.03Å; W92-A150 HydrophobicContact CE3-CB 3.68Å; W92-A150 HydrophobicContact CH2-CB 4.44Å; W92-A150 HydrophobicContact CZ3-CB 3.91Å; F142-A150 HydrophobicContact CE1-CB 3.54Å; F142-A150 HydrophobicContact CZ-CB 3.87Å; A150-I152 HydrophobicContact CB-CD1 4.06Å; A150-V277 CarbonylContact C-O 3.47Å; A150-V277 WeakPolarHBondContact CA-O 3.23Å; A150-T278 HydrophobicContact CB-CG2 4.23Å
151I97.6Very high96.4Very high17 Ų1716.1 Ų16.19%0.0878%0.083CC..  trans-11096.8173.4-58.6151000105.9F149 E153 N154 L155 A276 V277 V294 Y295F149-I151 HydrophobicContact CE1-CG1 4.1Å; I151-E153 VanDerWaalsContact C-N 3.25Å; I151-E153 PolarHBondContact O-N 2.72Å; I151-N154 HydrophobicContact CB-CB 4.13Å; I151-N154 HydrophobicContact CG2-CB 3.89Å; I151-N154 VanDerWaalsContact CG2-CG 3.48Å; I151-N154 WeakPolarHBondContact CG2-ND2 3.29Å; I151-N154 WeakPolarHBondContact O-CB 3.46Å; I151-N154 PolarHBondContact O-N 2.87Å; I151-N154 VanDerWaalsContact O-N 3.15Å; I151-L155 PolarHBondContact O-N 3.27Å; I151-L155 VanDerWaalsContact O-N 3.13Å; I151-A276 VanDerWaalsContact CD1-O 3.26Å; I151-A276 WeakPolarHBondContact CD1-O 3.37Å; I151-V277 PolarHBondContact N-O 3.08Å; I151-V294 HydrophobicContact CG1-CG1 4.29Å; I151-Y295 WeakPolarHBondContact CA-OH 3.27Å
152I96.8Very high96.2Very high0 Ų019.3 Ų19.30%010%0.097CC..Hα-helixtrans-68.3-30.7-167.3-59.9-58.5000111V71 W92 H95 F142 A150 N154 L155 K156V71-I152 HydrophobicContact CB-CG2 4.34Å; V71-I152 HydrophobicContact CG2-CG2 4.38Å; W92-I152 HydrophobicContact CE3-CD1 3.98Å; W92-I152 HydrophobicContact CE3-CG1 4.32Å; W92-I152 HydrophobicContact CZ3-CD1 3.98Å; H95-I152 HydrophobicContact CB-CB 4.02Å; H95-I152 HydrophobicContact CB-CG1 3.96Å; H95-I152 WeakPolarHBondContact O-CG2 3.42Å; F142-I152 HydrophobicContact CD1-CD1 4.19Å; F142-I152 HydrophobicContact CE1-CD1 4.44Å; A150-I152 HydrophobicContact CB-CD1 4.06Å; I152-N154 VanDerWaalsContact C-N 3.33Å; I152-L155 WeakPolarHBondContact O-CB 3.36Å; I152-L155 PolarHBondContact O-N 3.38Å; I152-K156 HydrophobicContact CG2-CD 4.48Å; I152-K156 HydrophobicContact CG2-CG 4.4Å; I152-K156 WeakPolarHBondContact O-CB 3.4Å; I152-K156 WeakPolarHBondContact O-CG 3.45Å; I152-K156 PolarHBondContact O-N 3.39Å
153E95.2Very high96Very high37 Ų3722.8 Ų22.817%0.17312%0.115CC..Hα-helixtrans-63.8-39.8174.8-61.981.417900111H95 I151 K156 Y157 Y295 F310H95-E153 IonicContact CE1-OE1 3.69Å; H95-E153 IonicContact CG-OE1 3.56Å; H95-E153 IonicContact ND1-OE1 2.7Å; H95-E153 PolarHBondContact ND1-OE1 3.39Å; H95-E153 IonicContact ND1-OE2 2.73Å; I151-E153 VanDerWaalsContact C-N 3.25Å; I151-E153 PolarHBondContact O-N 2.72Å; E153-K156 PolarHBondContact O-N 3.26Å; E153-Y157 WeakPolarHBondContact O-CB 3.34Å; E153-Y157 PolarHBondContact O-N 3.27Å; E153-Y295 PolarHBondContact OE2-OH 2.94Å; E153-F310 HydrophobicContact CB-CB 4.25Å; E153-F310 HydrophobicContact CB-CD2 4.13Å; E153-F310 HydrophobicContact CG-CB 3.86Å
154N96.2Very high95.9Very high29 Ų2924 Ų2416%0.15512%0.123CC..Hα-helixtrans-68.8-36.9174.5-70.9-4000111.4I151 I152 Y157 L158 A276 V277I151-N154 HydrophobicContact CB-CB 4.13Å; I151-N154 HydrophobicContact CG2-CB 3.89Å; I151-N154 VanDerWaalsContact CG2-CG 3.48Å; I151-N154 WeakPolarHBondContact CG2-ND2 3.29Å; I151-N154 WeakPolarHBondContact O-CB 3.46Å; I151-N154 PolarHBondContact O-N 2.87Å; I151-N154 VanDerWaalsContact O-N 3.15Å; I152-N154 VanDerWaalsContact C-N 3.33Å; N154-Y157 PolarHBondContact O-N 3.28Å; N154-L158 PolarHBondContact O-N 2.86Å; N154-A276 PolarHBondContact ND2-O 2.92Å; N154-V277 HydrophobicContact CB-CG2 4.15Å
155L97.7Very high95.9Very high1 Ų128 Ų281%0.00514%0.142CC..Hα-helixtrans-61.5-50.3171.8172.754.7000110.7V71 F142 I151 I152 Y157 L158 V159 L170 V189 F247 V277V71-L155 HydrophobicContact CG1-CD2 3.92Å; V71-L155 HydrophobicContact CG2-CD2 4.31Å; F142-L155 HydrophobicContact CB-CD2 3.99Å; F142-L155 HydrophobicContact CD2-CD2 4.28Å; F142-L155 HydrophobicContact CG-CD2 4.04Å; I151-L155 PolarHBondContact O-N 3.27Å; I151-L155 VanDerWaalsContact O-N 3.13Å; I152-L155 WeakPolarHBondContact O-CB 3.36Å; I152-L155 PolarHBondContact O-N 3.38Å; L155-Y157 VanDerWaalsContact C-N 3.29Å; L155-Y157 PolarHBondContact O-N 3.31Å; L155-L158 WeakPolarHBondContact O-CB 3.38Å; L155-L158 PolarHBondContact O-N 3.06Å; L155-L158 VanDerWaalsContact O-N 3.08Å; L155-V159 HydrophobicContact CD1-CG1 4.32Å; L155-V159 WeakPolarHBondContact O-CG2 3.37Å; L155-V159 PolarHBondContact O-N 3.17Å; L155-L170 HydrophobicContact CD1-CD1 4.47Å; L155-V189 HydrophobicContact CD1-CB 4.31Å; L155-V189 HydrophobicContact CD1-CG1 4.1Å; L155-V189 HydrophobicContact CD1-CG2 3.46Å; L155-V189 VanDerWaalsContact CD1-CG2 3.46Å; L155-V189 HydrophobicContact CD2-CG2 3.8Å; L155-V189 HydrophobicContact CG-CG2 4.3Å; L155-F247 HydrophobicContact CD1-CZ 4.25Å; L155-V277 HydrophobicContact CB-CG1 3.7Å; L155-V277 HydrophobicContact CD1-CG1 4.39Å
156K96.1Very high96Very high12 Ų1230.4 Ų30.45%0.05215%0.153CC..Hα-helixtrans-55.8-46.5178.3-80.8-173.8-177.8-164.30110.7L69 V71 D97 I152 E153 L158 V159 L160 F310L69-K156 HydrophobicContact CD2-CB 3.47Å; L69-K156 VanDerWaalsContact CD2-CB 3.47Å; L69-K156 HydrophobicContact CD2-CD 4.35Å; L69-K156 HydrophobicContact CD2-CG 3.75Å; L69-K156 WeakPolarHBondContact CD2-O 3.46Å; L69-K156 HydrophobicContact CG-CB 4.41Å; L69-K156 HydrophobicContact CG-CG 4.17Å; L69-K156 WeakPolarHBondContact O-CE 3.35Å; L69-K156 PolarHBondContact O-NZ 3.46Å; V71-K156 HydrophobicContact CG2-CG 3.88Å; D97-K156 IonicContact OD1-NZ 2.94Å; D97-K156 PolarHBondContact OD1-NZ 3.48Å; D97-K156 WeakPolarHBondContact OD2-CE 3.38Å; D97-K156 IonicContact OD2-NZ 2.72Å; D97-K156 PolarHBondContact OD2-NZ 2.97Å; I152-K156 HydrophobicContact CG2-CD 4.48Å; I152-K156 HydrophobicContact CG2-CG 4.4Å; I152-K156 WeakPolarHBondContact O-CB 3.4Å; I152-K156 WeakPolarHBondContact O-CG 3.45Å; I152-K156 PolarHBondContact O-N 3.39Å; E153-K156 PolarHBondContact O-N 3.26Å; K156-L158 VanDerWaalsContact C-N 3.33Å; K156-L158 PolarHBondContact O-N 3.04Å; K156-V159 PolarHBondContact O-N 3.19Å; K156-L160 WeakPolarHBondContact O-CA 3.38Å; K156-L160 PolarHBondContact O-N 2.91Å; K156-F310 HydrophobicContact CB-CD1 3.8Å; K156-F310 HydrophobicContact CB-CD2 4.01Å; K156-F310 HydrophobicContact CB-CE1 3.73Å; K156-F310 HydrophobicContact CB-CE2 3.92Å; K156-F310 HydrophobicContact CB-CG 3.96Å; K156-F310 HydrophobicContact CB-CZ 3.78Å; K156-F310 HydrophobicContact CD-CB 4.14Å; K156-F310 HydrophobicContact CD-CD1 3.64Å; K156-F310 HydrophobicContact CD-CE1 4.28Å; K156-F310 HydrophobicContact CD-CG 3.92Å; K156-F310 HydrophobicContact CG-CD1 4.32Å
157Y94.6Very high96.2Very high57 Ų5730.2 Ų30.222%0.22415%0.152CC..Hα-helixtrans-56.9-44.8174.6-176.5-117.2000113A48 A49 L54 E153 N154 L155 V159 L160 L275A48-Y157 HydrophobicContact CB-CD1 3.39Å; A48-Y157 HydrophobicContact CB-CE1 3.17Å; A48-Y157 HydrophobicContact CB-CG 4.2Å; A49-Y157 PolarHBondContact O-OH 3.49Å; L54-Y157 HydrophobicContact CD1-CE2 3.76Å; E153-Y157 WeakPolarHBondContact O-CB 3.34Å; E153-Y157 PolarHBondContact O-N 3.27Å; N154-Y157 PolarHBondContact O-N 3.28Å; L155-Y157 VanDerWaalsContact C-N 3.29Å; L155-Y157 PolarHBondContact O-N 3.31Å; Y157-V159 VanDerWaalsContact C-N 3.29Å; Y157-V159 PolarHBondContact O-N 3.17Å; Y157-L160 WeakPolarHBondContact O-CB 3.41Å; Y157-L160 PolarHBondContact O-N 3.15Å; Y157-L275 HydrophobicContact CD1-CD1 4.06Å; Y157-L275 HydrophobicContact CE1-CD1 3.66Å
158L95.9Very high96.3Very high1 Ų128.5 Ų28.51%0.00514%0.142CC..Hα-helixtrans-59.6-37.6-179.9-176.162.9000113.2V46 A48 N154 L155 K156 L170 L246 F247 V277V46-L158 HydrophobicContact CG1-CD1 3.72Å; V46-L158 HydrophobicContact CG1-CG 4Å; A48-L158 HydrophobicContact CB-CD1 4.3Å; N154-L158 PolarHBondContact O-N 2.86Å; L155-L158 WeakPolarHBondContact O-CB 3.38Å; L155-L158 PolarHBondContact O-N 3.06Å; L155-L158 VanDerWaalsContact O-N 3.08Å; K156-L158 VanDerWaalsContact C-N 3.33Å; K156-L158 PolarHBondContact O-N 3.04Å; L158-L170 HydrophobicContact CD2-CD1 3.93Å; L158-L246 HydrophobicContact CD1-CD1 3.48Å; L158-L246 VanDerWaalsContact CD1-CD1 3.48Å; L158-L246 HydrophobicContact CD2-CD1 3.95Å; L158-L246 HydrophobicContact CG-CD1 4.22Å; L158-F247 HydrophobicContact CD2-CE2 3.56Å; L158-F247 HydrophobicContact CD2-CZ 4Å; L158-V277 HydrophobicContact CD2-CG2 4.42Å
159V96Very high96.3Very high0 Ų028.7 Ų28.70%014%0.143CC..Hα-helixtrans-100.20.8-176.4-600000114L69 W140 L155 K156 Y157 T161 K162 L170L69-V159 HydrophobicContact CD1-CG2 3.92Å; L69-V159 HydrophobicContact CD2-CG2 4.42Å; W140-V159 HydrophobicContact CD2-CB 4.22Å; W140-V159 HydrophobicContact CD2-CG1 4.46Å; W140-V159 HydrophobicContact CD2-CG2 4.01Å; W140-V159 HydrophobicContact CE3-CB 4.3Å; W140-V159 HydrophobicContact CE3-CG1 4.1Å; W140-V159 HydrophobicContact CE3-CG2 4.47Å; W140-V159 HydrophobicContact CG-CG2 4.34Å; W140-V159 HydrophobicContact CH2-CB 3.91Å; W140-V159 HydrophobicContact CH2-CG1 4.12Å; W140-V159 HydrophobicContact CZ2-CB 3.78Å; W140-V159 HydrophobicContact CZ2-CG1 4.45Å; W140-V159 HydrophobicContact CZ2-CG2 4.22Å; W140-V159 HydrophobicContact CZ3-CB 4.16Å; W140-V159 HydrophobicContact CZ3-CG1 3.92Å; L155-V159 HydrophobicContact CD1-CG1 4.32Å; L155-V159 WeakPolarHBondContact O-CG2 3.37Å; L155-V159 PolarHBondContact O-N 3.17Å; K156-V159 PolarHBondContact O-N 3.19Å; Y157-V159 VanDerWaalsContact C-N 3.29Å; Y157-V159 PolarHBondContact O-N 3.17Å; V159-T161 VanDerWaalsContact C-N 3.25Å; V159-T161 PolarHBondContact O-N 3.27Å; V159-T161 VanDerWaalsContact O-N 3.08Å; V159-K162 HydrophobicContact CB-CB 4.48Å; V159-K162 WeakPolarHBondContact O-CB 3.42Å; V159-K162 PolarHBondContact O-N 2.92Å; V159-L170 HydrophobicContact CG1-CD2 3.63Å
160L93.4Very high96.2Very high4 Ų428.7 Ų28.72%0.02114%0.143CC..THydrogen-bonded Turntrans-52.1-39.1-169.7179.864.9000114.3L54 L65 L69 K156 Y157 L308 F310L54-L160 HydrophobicContact CD2-CD2 3.82Å; L65-L160 HydrophobicContact CB-CD1 3.82Å; L69-L160 HydrophobicContact CD2-CD1 4.1Å; K156-L160 WeakPolarHBondContact O-CA 3.38Å; K156-L160 PolarHBondContact O-N 2.91Å; Y157-L160 WeakPolarHBondContact O-CB 3.41Å; Y157-L160 PolarHBondContact O-N 3.15Å; L160-L308 HydrophobicContact CD1-CD1 4.47Å; L160-L308 HydrophobicContact CD2-CD1 3.37Å; L160-F310 HydrophobicContact CD1-CE1 4.22Å; L160-F310 HydrophobicContact CD1-CZ 4.12Å
161T90.1Very high96.2Very high73 Ų7328.7 Ų28.745%0.44814%0.143SC..THydrogen-bonded Turntrans-104.58.7-17958.10000113.2A49 L54 V159A49-T161 HydrophobicContact CB-CG2 3.73Å; L54-T161 HydrophobicContact CD2-CG2 4.34Å; V159-T161 VanDerWaalsContact C-N 3.25Å; V159-T161 PolarHBondContact O-N 3.27Å; V159-T161 VanDerWaalsContact O-N 3.08Å
162K94.1Very high96.2Very high66 Ų6631.2 Ų31.229%0.28715%0.153SC..  trans-87.7146.5179.2-63.1-66.9-174.2163.80111W140 V159 P164 F168W140-K162 HydrophobicContact CH2-CB 3.78Å; W140-K162 HydrophobicContact CZ2-CB 4.04Å; V159-K162 HydrophobicContact CB-CB 4.48Å; V159-K162 WeakPolarHBondContact O-CB 3.42Å; V159-K162 PolarHBondContact O-N 2.92Å; K162-P164 WeakPolarHBondContact O-CD 3.43Å; K162-F168 HydrophobicContact CB-CZ 3.96Å; K162-F168 HydrophobicContact CD-CZ 4.41Å; K162-F168 HydrophobicContact CG-CZ 4.25Å
163D95.4Very high96.2Very high74 Ų7431.6 Ų31.640%0.39616%0.157SC..  trans-88.8112.5175.1173.116.8000109.7E165 Q166D163-E165 PolarHBondContact O-N 3.38Å; D163-E165 WeakPolarHBondContact OD1-CB 3.31Å; D163-E165 PolarHBondContact OD1-N 3.27Å; D163-Q166 HydrophobicContact CB-CG 3.9Å; D163-Q166 WeakPolarHBondContact O-CB 3.34Å; D163-Q166 PolarHBondContact O-N 2.97Å; D163-Q166 VanDerWaalsContact O-N 3.09Å; D163-Q166 PolarHBondContact OD2-NE2 2.75Å
164P97Very high96.1Very high26 Ų2631.5 Ų31.517%0.16916%0.159CC..THydrogen-bonded Turntrans-69.1-10.3-179.930.1-35.8000113.7R139 W140 K162 Q166 S191 Y192 E193R139-P164 HydrophobicContact CB-CB 3.72Å; R139-P164 HydrophobicContact CB-CG 3.83Å; R139-P164 HydrophobicContact CG-CG 4.3Å; W140-P164 HydrophobicContact CH2-CB 4.21Å; W140-P164 HydrophobicContact CZ2-CB 3.81Å; W140-P164 HydrophobicContact CZ2-CG 4.42Å; K162-P164 WeakPolarHBondContact O-CD 3.43Å; P164-Q166 VanDerWaalsContact C-N 3.26Å; P164-S191 WeakPolarHBondContact O-CB 3.46Å; P164-Y192 PolarHBondContact O-N 2.74Å; P164-Y192 VanDerWaalsContact O-N 3.15Å; P164-E193 PolarHBondContact O-N 2.67Å; P164-E193 VanDerWaalsContact O-N 3.08Å
165E97.8Very high96Very high85 Ų8535.9 Ų35.940%0.39718%0.176SC..THydrogen-bonded Turntrans-81.4-5.9172.7-59.1-61.7143.800112.5D163 Y192 E193D163-E165 PolarHBondContact O-N 3.38Å; D163-E165 WeakPolarHBondContact OD1-CB 3.31Å; D163-E165 PolarHBondContact OD1-N 3.27Å; E165-Y192 WeakPolarHBondContact OE1-CD1 3.23Å; E165-E193 WeakPolarHBondContact O-CB 3.41Å; E165-E193 WeakPolarHBondContact O-CG 3.36Å
166Q98.1Very high95.6Very high95 Ų9538.4 Ų38.444%0.44419%0.194SC..SBendtrans-78.8140.9170.9-63-57.2-46.600111D163 P164 F168 S191D163-Q166 HydrophobicContact CB-CG 3.9Å; D163-Q166 WeakPolarHBondContact O-CB 3.34Å; D163-Q166 PolarHBondContact O-N 2.97Å; D163-Q166 VanDerWaalsContact O-N 3.09Å; D163-Q166 PolarHBondContact OD2-NE2 2.75Å; P164-Q166 VanDerWaalsContact C-N 3.26Å; Q166-F168 VanDerWaalsContact C-N 3.35Å; Q166-F168 HydrophobicContact CB-CD1 3.71Å; Q166-F168 HydrophobicContact CB-CE1 3.93Å; Q166-F168 WeakPolarHBondContact O-CD1 3.34Å; Q166-F168 PolarHBondContact O-N 3.43Å; Q166-S191 WeakPolarHBondContact O-CB 3.22Å; Q166-S191 PolarHBondContact O-OG 3.1Å
167P97.7Very high95.3Very high16 Ų1640.6 Ų40.610%0.10422%0.22CC..  trans-8373.7-173.434.9-37.1000111.6E193 V233 F234P167-E193 HydrophobicContact CB-CG 3.99Å; P167-V233 HydrophobicContact CB-CG2 3.86Å; P167-V233 WeakPolarHBondContact O-CA 3.48Å; P167-F234 HydrophobicContact CG-CE1 4.28Å; P167-F234 VanDerWaalsContact O-CD1 3.22Å; P167-F234 WeakPolarHBondContact O-CD1 3.44Å; P167-F234 WeakPolarHBondContact O-CE1 3.41Å; P167-F234 PolarHBondContact O-N 3.02Å; P167-F234 VanDerWaalsContact O-N 3.11Å
168F97.7Very high95Very high5 Ų545.6 Ų45.62%0.02225%0.246CC..EExtended strand (participates in β ladder)trans-137.2159.8178.674.7-79.3000113.6W140 K162 Q166 L170 S191 A194 F234 E236W140-F168 HydrophobicContact CH2-CE1 4.21Å; W140-F168 AromaticContact CH2-CZ 3.64Å; W140-F168 HydrophobicContact CH2-CZ 3.64Å; W140-F168 HydrophobicContact CZ3-CE1 4.49Å; W140-F168 HydrophobicContact CZ3-CE2 4.33Å; W140-F168 AromaticContact CZ3-CZ 3.83Å; W140-F168 HydrophobicContact CZ3-CZ 3.83Å; K162-F168 HydrophobicContact CB-CZ 3.96Å; K162-F168 HydrophobicContact CD-CZ 4.41Å; K162-F168 HydrophobicContact CG-CZ 4.25Å; Q166-F168 VanDerWaalsContact C-N 3.35Å; Q166-F168 HydrophobicContact CB-CD1 3.71Å; Q166-F168 HydrophobicContact CB-CE1 3.93Å; Q166-F168 WeakPolarHBondContact O-CD1 3.34Å; Q166-F168 PolarHBondContact O-N 3.43Å; F168-L170 HydrophobicContact CD2-CD2 4.3Å; F168-L170 HydrophobicContact CE2-CD2 3.63Å; F168-S191 PolarHBondContact N-OG 2.83Å; F168-S191 VanDerWaalsContact O-CB 3.27Å; F168-S191 WeakPolarHBondContact O-CB 3.39Å; F168-S191 PolarHBondContact O-N 2.82Å; F168-S191 VanDerWaalsContact O-N 3.17Å; F168-S191 PolarHBondContact O-OG 2.77Å; F168-A194 WeakPolarHBondContact O-CB 3.06Å; F168-F234 VanDerWaalsContact CA-O 3.29Å; F168-F234 WeakPolarHBondContact CA-O 3.39Å; F168-F234 HydrophobicContact CB-CD1 4.37Å; F168-F234 HydrophobicContact CB-CD2 4Å; F168-F234 HydrophobicContact CB-CE1 4.02Å; F168-F234 HydrophobicContact CB-CE2 3.63Å; F168-F234 HydrophobicContact CB-CG 4.36Å; F168-F234 HydrophobicContact CB-CZ 3.64Å; F168-F234 HydrophobicContact CG-CZ 4.45Å; F168-E236 HydrophobicContact CB-CG 4.34Å; F168-E236 HydrophobicContact CD2-CG 4.14Å; F168-E236 WeakPolarHBondContact CD2-OE2 3.43Å; F168-E236 WeakPolarHBondContact CE2-OE2 3.4Å
169Y98.1Very high94.7Very high5 Ų546.8 Ų46.82%0.0225%0.252CS..EExtended strand (participates in β ladder)trans-139144.8173.371.8-64.8000108.9V182 I188 V189 L190 L224 A225 L228 V233 F234 A235 E236Y169-V182 HydrophobicContact CD2-CB 3.92Å; Y169-V182 HydrophobicContact CD2-CG2 3.58Å; Y169-V182 HydrophobicContact CE2-CB 3.64Å; Y169-V182 HydrophobicContact CE2-CG2 3.42Å; Y169-V182 VanDerWaalsContact CE2-CG2 3.42Å; Y169-V182 HydrophobicContact CG-CG2 4.37Å; Y169-I188 HydrophobicContact CD2-CG2 3.85Å; Y169-V189 CarbonylContact C-O 3.56Å; Y169-V189 WeakPolarHBondContact CA-O 3.23Å; Y169-V189 WeakPolarHBondContact CB-O 3.49Å; Y169-L190 HydrophobicContact CG-CD2 4.35Å; Y169-L224 HydrophobicContact CD2-CD2 4.13Å; Y169-L224 HydrophobicContact CE2-CD2 3.77Å; Y169-A225 WeakPolarHBondContact OH-CB 3.38Å; Y169-L228 HydrophobicContact CD1-CD1 3.7Å; Y169-L228 HydrophobicContact CD2-CD1 4.2Å; Y169-L228 HydrophobicContact CE1-CD1 3.63Å; Y169-L228 HydrophobicContact CE2-CD1 4.12Å; Y169-L228 HydrophobicContact CG-CD1 4Å; Y169-V233 HydrophobicContact CD1-CG1 3.64Å; Y169-V233 HydrophobicContact CE1-CG1 4.15Å; Y169-F234 WeakPolarHBondContact CD1-O 3.35Å; Y169-F234 PolarHBondContact N-O 2.82Å; Y169-F234 VanDerWaalsContact N-O 3.08Å; Y169-A235 HydrophobicContact CD1-CB 4.38Å; Y169-A235 HydrophobicContact CE1-CB 3.69Å; Y169-A235 HydrophobicContact CE2-CB 4.47Å; Y169-A235 CarbonylContact O-C 3.6Å; Y169-A235 WeakPolarHBondContact O-CA 3.41Å; Y169-E236 PolarHBondContact O-N 3.27Å
170L96.9Very high94.6Very high0 Ų049.4 Ų49.40%026%0.264CS..EExtended strand (participates in β ladder)trans-131.2154-166.466.392.1000111.7L155 L158 V159 F168 V189 E236 F247L155-L170 HydrophobicContact CD1-CD1 4.47Å; L158-L170 HydrophobicContact CD2-CD1 3.93Å; V159-L170 HydrophobicContact CG1-CD2 3.63Å; F168-L170 HydrophobicContact CD2-CD2 4.3Å; F168-L170 HydrophobicContact CE2-CD2 3.63Å; L170-V189 HydrophobicContact CD1-CB 3.57Å; L170-V189 HydrophobicContact CD1-CG1 4.12Å; L170-V189 HydrophobicContact CD1-CG2 3.84Å; L170-V189 HydrophobicContact CD2-CB 4.27Å; L170-V189 HydrophobicContact CD2-CG1 4.04Å; L170-V189 HydrophobicContact CG-CB 3.66Å; L170-V189 HydrophobicContact CG-CG1 4Å; L170-V189 HydrophobicContact CG-CG2 4.47Å; L170-V189 PolarHBondContact N-O 3.2Å; L170-V189 PolarHBondContact O-N 3.2Å; L170-E236 VanDerWaalsContact CA-O 3.25Å; L170-E236 WeakPolarHBondContact CA-O 3.24Å; L170-E236 HydrophobicContact CB-CB 4.29Å; L170-F247 HydrophobicContact CD1-CE1 4.27Å; L170-F247 HydrophobicContact CD1-CE2 3.56Å; L170-F247 HydrophobicContact CD1-CZ 3.29Å
171G97.5Very high94.7Very high0 Ų050.2 Ų50.20%027%0.267CS..EExtended strand (participates in β ladder)trans165.2-140.1176.100000109.4A173 V182 E236 N237 G238 F247G171-A173 PolarHBondContact O-N 3.02Å; G171-V182 VanDerWaalsContact CA-CG1 3.41Å; G171-E236 PolarHBondContact N-O 3.37Å; G171-N237 WeakPolarHBondContact O-CA 3.29Å; G171-N237 PolarHBondContact O-OD1 3.06Å; G171-G238 PolarHBondContact O-N 2.87Å; G171-F247 VanDerWaalsContact CA-CD2 3.5Å; G171-F247 VanDerWaalsContact CA-CG 3.48Å
172K97.3Very high95.1Very high69 Ų6946.8 Ų46.830%0.325%0.246SC..SBendtrans-86.199.7167.3-172170.5168.8-132.30110.6V182 E183 S186 F247 S249K172-V182 WeakPolarHBondContact O-CA 3.36Å; K172-E183 VanDerWaalsContact CD-OE2 3.27Å; K172-E183 WeakPolarHBondContact CD-OE2 3.23Å; K172-E183 WeakPolarHBondContact CE-OE2 3.5Å; K172-E183 IonicContact NZ-OE2 2.67Å; K172-E183 PolarHBondContact NZ-OE2 3.14Å; K172-E183 PolarHBondContact O-N 3.03Å; K172-S186 VanDerWaalsContact CB-OG 3.28Å; K172-S186 WeakPolarHBondContact CB-OG 3.41Å; K172-S186 PolarHBondContact N-OG 2.83Å; K172-F247 HydrophobicContact CB-CB 4.17Å; K172-S249 PolarHBondContact NZ-OG 3.21Å
173A96.5Very high95.2Very high9 Ų945.6 Ų45.67%0.07424%0.241CC..EExtended strand (participates in β ladder)trans-75.113817800000111G171 Y181 N237G171-A173 PolarHBondContact O-N 3.02Å; A173-Y181 CarbonylContact C-O 3.55Å; A173-Y181 WeakPolarHBondContact CA-O 3.38Å; A173-N237 HydrophobicContact CB-CB 3.78Å; A173-N237 PolarHBondContact N-OD1 2.74Å
174V94.7Very high95.2Very high35 Ų3542.8 Ų42.821%0.21223%0.227CC..EExtended strand (participates in β ladder)trans-138.4141.8-178.3177.90000109.4E180 Y181 E183V174-E180 WeakPolarHBondContact O-CA 3.44Å; V174-Y181 HydrophobicContact CB-CE1 4.13Å; V174-Y181 HydrophobicContact CB-CE2 4.33Å; V174-Y181 HydrophobicContact CG1-CE1 4.04Å; V174-Y181 PolarHBondContact N-O 3Å; V174-Y181 WeakPolarHBondContact O-CD1 2.75Å; V174-Y181 PolarHBondContact O-N 3.02Å; V174-E183 HydrophobicContact CB-CG 4.37Å; V174-E183 HydrophobicContact CG2-CG 3.56Å
175K93.6Very high95.1Very high120 Ų12045.5 Ų45.552%0.52224%0.239SC..EExtended strand (participates in β ladder)trans-101.6129.4172.8-158166.4-179.4171.90111.4G177K175-G177 VanDerWaalsContact CE-O 3.31Å; K175-G177 WeakPolarHBondContact CE-O 3.45Å; K175-G177 WeakPolarHBondContact CG-O 3.28Å
176S90.1Very high95Very high54 Ų5441.4 Ų41.438%0.37822%0.22SC..EExtended strand (participates in β ladder)trans-131.197.9170.8-173.40000109E178 L179 K222S176-E178 PolarHBondContact O-N 2.96Å; S176-L179 PolarHBondContact N-O 2.86Å; S176-L179 PolarHBondContact O-N 3.15Å; S176-K222 PolarHBondContact OG-NZ 2.86Å
177G89.1Confident95Very high59 Ų5936.9 Ų36.961%0.60820%0.199SC*.THydrogen-bonded Turntrans63.3-125.7-169.400000111.4K175 L179K175-G177 VanDerWaalsContact CE-O 3.31Å; K175-G177 WeakPolarHBondContact CE-O 3.45Å; K175-G177 WeakPolarHBondContact CG-O 3.28Å; G177-L179 VanDerWaalsContact C-N 3.33Å
178E87.6Confident95.1Very high162 Ų16236.1 Ų36.176%0.75719%0.194SC*.THydrogen-bonded Turntrans-91.29.6177.5-59.2-56.9149.700113.7S176 K229S176-E178 PolarHBondContact O-N 2.96Å; E178-K229 PolarHBondContact O-NZ 3.08Å
179L90Very high95.1Very high25 Ų2536 Ų3613%0.13119%0.194CC..EExtended strand (participates in β ladder)trans-107.4118.9176.2-175.165.1000109.5S176 G177 Y181 K222 A225 V226 K229S176-L179 PolarHBondContact N-O 2.86Å; S176-L179 PolarHBondContact O-N 3.15Å; G177-L179 VanDerWaalsContact C-N 3.33Å; L179-Y181 HydrophobicContact CG-CD1 4.38Å; L179-K222 HydrophobicContact CD2-CB 4.01Å; L179-K222 HydrophobicContact CD2-CG 4.04Å; L179-A225 HydrophobicContact CD1-CB 3.93Å; L179-A225 HydrophobicContact CG-CB 4.4Å; L179-V226 HydrophobicContact CD1-CG2 4.33Å; L179-V226 HydrophobicContact CD2-CG2 4.17Å; L179-K229 HydrophobicContact CD1-CD 4.48Å
180E94Very high95.2Very high56 Ų5635.7 Ų35.726%0.26219%0.193SC..EExtended strand (participates in β ladder)trans-98132.3165.9-171.8174.4-173.400108.2H43 V174 A235H43-E180 IonicContact CE1-OE1 3.24Å; H43-E180 IonicContact CG-OE1 2.74Å; H43-E180 IonicContact ND1-OE1 2.74Å; H43-E180 PolarHBondContact ND1-OE1 3.13Å; V174-E180 WeakPolarHBondContact O-CA 3.44Å; E180-A235 HydrophobicContact CG-CB 4.1Å
181Y95.8Very high95.2Very high21 Ų2135.7 Ų35.78%0.08219%0.193CC..EExtended strand (participates in β ladder)trans-149.7161.2-176.667-81000111.2A173 V174 L179 E183 D221 K222A173-Y181 CarbonylContact C-O 3.55Å; A173-Y181 WeakPolarHBondContact CA-O 3.38Å; V174-Y181 HydrophobicContact CB-CE1 4.13Å; V174-Y181 HydrophobicContact CB-CE2 4.33Å; V174-Y181 HydrophobicContact CG1-CE1 4.04Å; V174-Y181 PolarHBondContact N-O 3Å; V174-Y181 WeakPolarHBondContact O-CD1 2.75Å; V174-Y181 PolarHBondContact O-N 3.02Å; L179-Y181 HydrophobicContact CG-CD1 4.38Å; Y181-E183 HydrophobicContact CE2-CG 4.25Å; Y181-D221 HydrophobicContact CD2-CB 4.04Å; Y181-D221 WeakPolarHBondContact CE2-OD2 3.48Å; Y181-K222 HydrophobicContact CD1-CG 4.21Å; Y181-K222 HydrophobicContact CD2-CG 4.23Å; Y181-K222 HydrophobicContact CE1-CG 4.21Å; Y181-K222 HydrophobicContact CE2-CG 4.22Å; Y181-K222 HydrophobicContact CG-CG 4.23Å; Y181-K222 WeakPolarHBondContact OH-CE 3.25Å
182V97.6Very high95.3Very high0 Ų037.8 Ų37.80%020%0.201CC..EExtended strand (participates in β ladder)trans-100.3129.4174.2179.30000108.9Y169 G171 K172 L184 I188 D221 A235Y169-V182 HydrophobicContact CD2-CB 3.92Å; Y169-V182 HydrophobicContact CD2-CG2 3.58Å; Y169-V182 HydrophobicContact CE2-CB 3.64Å; Y169-V182 HydrophobicContact CE2-CG2 3.42Å; Y169-V182 VanDerWaalsContact CE2-CG2 3.42Å; Y169-V182 HydrophobicContact CG-CG2 4.37Å; G171-V182 VanDerWaalsContact CA-CG1 3.41Å; K172-V182 WeakPolarHBondContact O-CA 3.36Å; V182-L184 PolarHBondContact O-N 3.23Å; V182-I188 HydrophobicContact CB-CG1 4.33Å; V182-I188 HydrophobicContact CG1-CB 4.49Å; V182-I188 HydrophobicContact CG1-CG1 3.89Å; V182-I188 HydrophobicContact CG1-CG2 4.48Å; V182-D221 VanDerWaalsContact O-CB 3.32Å; V182-D221 WeakPolarHBondContact O-CB 3.4Å; V182-A235 HydrophobicContact CG2-CB 3.94Å
183E96.7Very high95.3Very high41 Ų4135.6 Ų35.619%0.19219%0.192CC..  trans-66.5119.2-178.7-64.9-168.9129.200111.8K172 V174 Y181 N185 S186 S249K172-E183 VanDerWaalsContact CD-OE2 3.27Å; K172-E183 WeakPolarHBondContact CD-OE2 3.23Å; K172-E183 WeakPolarHBondContact CE-OE2 3.5Å; K172-E183 IonicContact NZ-OE2 2.67Å; K172-E183 PolarHBondContact NZ-OE2 3.14Å; K172-E183 PolarHBondContact O-N 3.03Å; V174-E183 HydrophobicContact CB-CG 4.37Å; V174-E183 HydrophobicContact CG2-CG 3.56Å; Y181-E183 HydrophobicContact CE2-CG 4.25Å; E183-N185 PolarHBondContact O-N 2.61Å; E183-S186 PolarHBondContact O-N 3.3Å; E183-S186 PolarHBondContact O-OG 3.5Å; E183-S249 PolarHBondContact OE2-OG 3.1Å
184L96.3Very high95.4Very high16 Ų1635.2 Ų35.28%0.08419%0.188CC..G310 helixtrans-59.2-36.5178.8179.363.3000112.4L124 V143 V182 S186 G187 I188 D220 D221L124-L184 HydrophobicContact CD2-CD2 4.48Å; V143-L184 HydrophobicContact CB-CD1 4.43Å; V143-L184 HydrophobicContact CG1-CD1 3.74Å; V182-L184 PolarHBondContact O-N 3.23Å; L184-S186 PolarHBondContact O-N 2.99Å; L184-G187 PolarHBondContact O-N 2.92Å; L184-I188 HydrophobicContact CB-CD1 4.08Å; L184-I188 HydrophobicContact CD1-CD1 3.85Å; L184-I188 HydrophobicContact CD1-CG1 4.22Å; L184-D220 HydrophobicContact CD2-CB 4.11Å; L184-D221 HydrophobicContact CB-CB 3.93Å; L184-D221 PolarHBondContact N-OD2 2.72Å
185N94.7Very high95.6Very high82 Ų8233.5 Ų33.544%0.43918%0.178SC..G310 helixtrans-64.1-21.6179-67.6-6.2000112.7Q145 E183 G187 S280Q145-N185 VanDerWaalsContact CD-OD1 3.25Å; Q145-N185 PolarHBondContact NE2-OD1 3.03Å; Q145-N185 PolarHBondContact OE1-OD1 2.52Å; Q145-N185 VanDerWaalsContact OE1-OD1 3.05Å; E183-N185 PolarHBondContact O-N 2.61Å; N185-G187 VanDerWaalsContact C-N 3.34Å; N185-S280 WeakPolarHBondContact O-CB 3.5Å; N185-S280 PolarHBondContact O-OG 2.81Å
186S96Very high95.9Very high0 Ų030.8 Ų30.80%017%0.166CC..G310 helixtrans-86.9-6.6175.973.70000113.1K172 E183 L184 T278K172-S186 VanDerWaalsContact CB-OG 3.28Å; K172-S186 WeakPolarHBondContact CB-OG 3.41Å; K172-S186 PolarHBondContact N-OG 2.83Å; E183-S186 PolarHBondContact O-N 3.3Å; E183-S186 PolarHBondContact O-OG 3.5Å; L184-S186 PolarHBondContact O-N 2.99Å; S186-T278 WeakPolarHBondContact O-CB 3.4Å; S186-T278 WeakPolarHBondContact O-CG2 3.42Å; S186-T278 PolarHBondContact O-OG1 3.25Å
187G97.9Very high96.3Very high0 Ų031.8 Ų31.80%016%0.162CC..  trans85.7141.9-166.700000111.7V143 L184 N185V143-G187 WeakPolarHBondContact O-CA 3.49Å; L184-G187 PolarHBondContact O-N 2.92Å; N185-G187 VanDerWaalsContact C-N 3.34Å
188I98.6Very high96.7Very high0 Ų029 Ų290%013%0.133CC..EExtended strand (participates in β ladder)trans-123.4131.9179.5-58.1179.1000108.4F142 V143 Y169 V182 L184 L190F142-I188 CarbonylContact C-O 3.51Å; F142-I188 WeakPolarHBondContact CA-O 3.19Å; V143-I188 HydrophobicContact CB-CB 4.32Å; V143-I188 PolarHBondContact N-O 3.01Å; V143-I188 PolarHBondContact O-N 3.21Å; Y169-I188 HydrophobicContact CD2-CG2 3.85Å; V182-I188 HydrophobicContact CB-CG1 4.33Å; V182-I188 HydrophobicContact CG1-CB 4.49Å; V182-I188 HydrophobicContact CG1-CG1 3.89Å; V182-I188 HydrophobicContact CG1-CG2 4.48Å; L184-I188 HydrophobicContact CB-CD1 4.08Å; L184-I188 HydrophobicContact CD1-CD1 3.85Å; L184-I188 HydrophobicContact CD1-CG1 4.22Å; I188-L190 HydrophobicContact CG2-CG 4.25Å
189V98.8Very high97.2Very high1 Ų121.9 Ų21.91%0.00610%0.101CC..EExtended strand (participates in β ladder)trans-111.3123.2172.51750000108.2W140 F141 F142 L155 Y169 L170 F247W140-V189 HydrophobicContact CE3-CG1 4.03Å; F141-V189 CarbonylContact O-C 3.52Å; F141-V189 VanDerWaalsContact O-CA 3.29Å; F141-V189 WeakPolarHBondContact O-CA 3.4Å; F142-V189 HydrophobicContact CB-CG2 4.39Å; F142-V189 HydrophobicContact CD2-CG2 3.51Å; F142-V189 HydrophobicContact CE2-CG2 4.23Å; F142-V189 HydrophobicContact CG-CG2 4.33Å; L155-V189 HydrophobicContact CD1-CB 4.31Å; L155-V189 HydrophobicContact CD1-CG1 4.1Å; L155-V189 HydrophobicContact CD1-CG2 3.46Å; L155-V189 VanDerWaalsContact CD1-CG2 3.46Å; L155-V189 HydrophobicContact CD2-CG2 3.8Å; L155-V189 HydrophobicContact CG-CG2 4.3Å; Y169-V189 CarbonylContact C-O 3.56Å; Y169-V189 WeakPolarHBondContact CA-O 3.23Å; Y169-V189 WeakPolarHBondContact CB-O 3.49Å; L170-V189 HydrophobicContact CD1-CB 3.57Å; L170-V189 HydrophobicContact CD1-CG1 4.12Å; L170-V189 HydrophobicContact CD1-CG2 3.84Å; L170-V189 HydrophobicContact CD2-CB 4.27Å; L170-V189 HydrophobicContact CD2-CG1 4.04Å; L170-V189 HydrophobicContact CG-CB 3.66Å; L170-V189 HydrophobicContact CG-CG1 4Å; L170-V189 HydrophobicContact CG-CG2 4.47Å; L170-V189 PolarHBondContact N-O 3.2Å; L170-V189 PolarHBondContact O-N 3.2Å; V189-F247 HydrophobicContact CG2-CE1 3.98Å; V189-F247 HydrophobicContact CG2-CZ 4.09Å
190L98.8Very high97.6Very high0 Ų025.7 Ų25.70%012%0.121CC..EExtended strand (participates in β ladder)trans-103.3130.1176.3-66.8146.4000108.6L128 F141 V143 Y169 I188 A194 L195 L228L128-L190 HydrophobicContact CD1-CD1 4.48Å; L128-L190 HydrophobicContact CD2-CD1 3.8Å; F141-L190 HydrophobicContact CB-CB 4.33Å; F141-L190 PolarHBondContact N-O 3.36Å; F141-L190 PolarHBondContact O-N 3.41Å; V143-L190 HydrophobicContact CG2-CD1 4.07Å; Y169-L190 HydrophobicContact CG-CD2 4.35Å; I188-L190 HydrophobicContact CG2-CG 4.25Å; L190-A194 HydrophobicContact CD2-CB 4.12Å; L190-L195 HydrophobicContact CB-CB 4.28Å; L190-L195 HydrophobicContact CD1-CD1 4.39Å; L190-L228 HydrophobicContact CD2-CD1 4.44Å
191S98.6Very high97.7Very high0 Ų023.5 Ų23.50%011%0.112CC..EExtended strand (participates in β ladder)trans-62.3160.8160.762.60000110.4P164 Q166 F168 E193 A194 L195P164-S191 WeakPolarHBondContact O-CB 3.46Å; Q166-S191 WeakPolarHBondContact O-CB 3.22Å; Q166-S191 PolarHBondContact O-OG 3.1Å; F168-S191 PolarHBondContact N-OG 2.83Å; F168-S191 VanDerWaalsContact O-CB 3.27Å; F168-S191 WeakPolarHBondContact O-CB 3.39Å; F168-S191 PolarHBondContact O-N 2.82Å; F168-S191 VanDerWaalsContact O-N 3.17Å; F168-S191 PolarHBondContact O-OG 2.77Å; S191-E193 VanDerWaalsContact C-N 3.33Å; S191-E193 PolarHBondContact O-N 2.81Å; S191-A194 PolarHBondContact O-N 3.37Å; S191-A194 WeakPolarHBondContact OG-CB 3.34Å; S191-A194 PolarHBondContact OG-N 2.94Å; S191-A194 VanDerWaalsContact OG-N 3.15Å; S191-L195 PolarHBondContact O-N 3.47Å
192Y98.6Very high97.7Very high44 Ų4423.1 Ų23.117%0.17311%0.11CC..Hα-helixtrans-57.4-47.4177-178.6-103.6000111.6Y132 R139 F141 P164 E165 A194 L195 K196Y132-Y192 HydrophobicContact CD2-CE2 4.34Å; Y132-Y192 AromaticContact CE2-CE2 3.87Å; Y132-Y192 HydrophobicContact CE2-CE2 3.87Å; Y132-Y192 AromaticContact CE2-CZ 3.96Å; R139-Y192 WeakPolarHBondContact O-CB 3.36Å; R139-Y192 PolarHBondContact O-N 3.19Å; F141-Y192 HydrophobicContact CE2-CD2 4.04Å; F141-Y192 HydrophobicContact CZ-CD2 4.34Å; P164-Y192 PolarHBondContact O-N 2.74Å; P164-Y192 VanDerWaalsContact O-N 3.15Å; E165-Y192 WeakPolarHBondContact OE1-CD1 3.23Å; Y192-A194 PolarHBondContact O-N 3.25Å; Y192-L195 PolarHBondContact O-N 3.12Å; Y192-K196 HydrophobicContact CE1-CD 4.19Å; Y192-K196 WeakPolarHBondContact O-CB 3.32Å; Y192-K196 PolarHBondContact O-N 3.2Å
193E98.6Very high97.5Very high23 Ų2331.2 Ų31.211%0.10715%0.148CC..Hα-helixtrans-67-35.4-179.7-178.865.7-175.100112.1P164 E165 P167 S191 K196 R197P164-E193 PolarHBondContact O-N 2.67Å; P164-E193 VanDerWaalsContact O-N 3.08Å; E165-E193 WeakPolarHBondContact O-CB 3.41Å; E165-E193 WeakPolarHBondContact O-CG 3.36Å; P167-E193 HydrophobicContact CB-CG 3.99Å; S191-E193 VanDerWaalsContact C-N 3.33Å; S191-E193 PolarHBondContact O-N 2.81Å; E193-K196 IonicContact OE2-NZ 2.78Å; E193-K196 PolarHBondContact OE2-NZ 3.06Å; E193-R197 WeakPolarHBondContact O-CB 3.36Å; E193-R197 VanDerWaalsContact O-CG 3.3Å; E193-R197 WeakPolarHBondContact O-CG 3.24Å; E193-R197 PolarHBondContact O-N 3.18Å; E193-R197 IonicContact OE1-CZ 3.19Å; E193-R197 VanDerWaalsContact OE1-CZ 3.28Å; E193-R197 IonicContact OE1-NE 3.77Å; E193-R197 PolarHBondContact OE1-NE 2.99Å; E193-R197 IonicContact OE1-NH2 3.92Å; E193-R197 PolarHBondContact OE1-NH2 3.29Å
194A98.6Very high97.3Very high0 Ų031.6 Ų31.60%015%0.151CC..Hα-helixtrans-62.8-47173.900000112.3F168 L190 S191 Y192 R197 L198 V233F168-A194 WeakPolarHBondContact O-CB 3.06Å; L190-A194 HydrophobicContact CD2-CB 4.12Å; S191-A194 PolarHBondContact O-N 3.37Å; S191-A194 WeakPolarHBondContact OG-CB 3.34Å; S191-A194 PolarHBondContact OG-N 2.94Å; S191-A194 VanDerWaalsContact OG-N 3.15Å; Y192-A194 PolarHBondContact O-N 3.25Å; A194-R197 PolarHBondContact O-N 2.92Å; A194-L198 WeakPolarHBondContact O-CB 3.49Å; A194-L198 PolarHBondContact O-N 2.72Å; A194-V233 HydrophobicContact CB-CG1 3.74Å; A194-V233 HydrophobicContact CB-CG2 4.17Å
195L98.7Very high97.1Very high0 Ų035.3 Ų35.30%017%0.168CC..Hα-helixtrans-65.8-42.2178.8179.557.1000111.8L128 Y132 F141 L190 S191 Y192 R197 L198 V199L128-L195 HydrophobicContact CB-CD1 3.87Å; L128-L195 HydrophobicContact CD2-CD1 4.07Å; L128-L195 HydrophobicContact CG-CD1 4.44Å; Y132-L195 HydrophobicContact CD2-CD2 4.32Å; Y132-L195 HydrophobicContact CD2-CG 4.14Å; Y132-L195 HydrophobicContact CG-CG 4.41Å; F141-L195 HydrophobicContact CB-CD2 4.17Å; F141-L195 HydrophobicContact CD1-CD2 3.47Å; F141-L195 VanDerWaalsContact CD1-CD2 3.47Å; F141-L195 HydrophobicContact CD2-CB 4.22Å; F141-L195 HydrophobicContact CD2-CD2 3.51Å; F141-L195 HydrophobicContact CE1-CD2 3.59Å; F141-L195 HydrophobicContact CE2-CB 4.45Å; F141-L195 HydrophobicContact CE2-CD2 3.66Å; F141-L195 HydrophobicContact CG-CD2 3.42Å; F141-L195 VanDerWaalsContact CG-CD2 3.42Å; F141-L195 HydrophobicContact CZ-CD2 3.69Å; L190-L195 HydrophobicContact CB-CB 4.28Å; L190-L195 HydrophobicContact CD1-CD1 4.39Å; S191-L195 PolarHBondContact O-N 3.47Å; Y192-L195 PolarHBondContact O-N 3.12Å; L195-R197 PolarHBondContact O-N 3.01Å; L195-L198 WeakPolarHBondContact O-CB 3.49Å; L195-L198 PolarHBondContact O-N 2.94Å; L195-V199 HydrophobicContact CD1-CG2 3.94Å; L195-V199 HydrophobicContact CG-CG2 4.38Å; L195-V199 WeakPolarHBondContact O-CG2 3.48Å; L195-V199 PolarHBondContact O-N 3.38Å
196K98.6Very high96.8Very high62 Ų6238.4 Ų38.427%0.2719%0.185SC..Hα-helixtrans-56.6-47.7175.4173.3170.8152.2-139.50112Y132 Y192 E193 V199 N200Y132-K196 HydrophobicContact CD2-CB 4.5Å; Y132-K196 HydrophobicContact CE2-CB 3.66Å; Y132-K196 HydrophobicContact CE2-CG 4.18Å; Y132-K196 WeakPolarHBondContact OH-CG 3.2Å; Y192-K196 HydrophobicContact CE1-CD 4.19Å; Y192-K196 WeakPolarHBondContact O-CB 3.32Å; Y192-K196 PolarHBondContact O-N 3.2Å; E193-K196 IonicContact OE2-NZ 2.78Å; E193-K196 PolarHBondContact OE2-NZ 3.06Å; K196-V199 PolarHBondContact O-N 2.71Å; K196-N200 WeakPolarHBondContact O-CB 3.37Å; K196-N200 PolarHBondContact O-N 3.04Å; K196-N200 PolarHBondContact O-ND2 2.7Å
197R98.5Very high96.5Very high75 Ų7542.8 Ų42.828%0.28320%0.204SC..Hα-helixtrans-64.3-39.9176.7-72.8-177.3-175.7-169.515.3112.4E193 A194 L195 N200 V201 T231 V233E193-R197 WeakPolarHBondContact O-CB 3.36Å; E193-R197 VanDerWaalsContact O-CG 3.3Å; E193-R197 WeakPolarHBondContact O-CG 3.24Å; E193-R197 PolarHBondContact O-N 3.18Å; E193-R197 IonicContact OE1-CZ 3.19Å; E193-R197 VanDerWaalsContact OE1-CZ 3.28Å; E193-R197 IonicContact OE1-NE 3.77Å; E193-R197 PolarHBondContact OE1-NE 2.99Å; E193-R197 IonicContact OE1-NH2 3.92Å; E193-R197 PolarHBondContact OE1-NH2 3.29Å; A194-R197 PolarHBondContact O-N 2.92Å; L195-R197 PolarHBondContact O-N 3.01Å; R197-N200 PolarHBondContact O-N 2.93Å; R197-V201 PolarHBondContact O-N 2.84Å; R197-V201 VanDerWaalsContact O-N 3.08Å; R197-T231 VanDerWaalsContact CD-O 3.3Å; R197-T231 WeakPolarHBondContact CD-O 3.41Å; R197-T231 PolarHBondContact NH1-O 2.76Å; R197-V233 HydrophobicContact CB-CG2 4.05Å; R197-V233 HydrophobicContact CG-CG2 4.48Å
198L98.2Very high96.3Very high0 Ų042.8 Ų42.80%020%0.204CC..Hα-helixtrans-61.5-48.4176.7-175.255.6000111.9L128 A194 L195 N200 V201 F202 L224 C227 L228L128-L198 HydrophobicContact CD1-CD2 3.77Å; A194-L198 WeakPolarHBondContact O-CB 3.49Å; A194-L198 PolarHBondContact O-N 2.72Å; L195-L198 WeakPolarHBondContact O-CB 3.49Å; L195-L198 PolarHBondContact O-N 2.94Å; L198-N200 VanDerWaalsContact C-N 3.32Å; L198-N200 PolarHBondContact O-N 2.68Å; L198-V201 HydrophobicContact CD1-CG1 4.42Å; L198-V201 VanDerWaalsContact O-CG1 3.28Å; L198-V201 WeakPolarHBondContact O-CG1 3.4Å; L198-V201 PolarHBondContact O-N 3.21Å; L198-F202 HydrophobicContact CD1-CD1 4.3Å; L198-F202 HydrophobicContact CD1-CE1 3.52Å; L198-F202 HydrophobicContact CD1-CZ 4.14Å; L198-F202 HydrophobicContact CD2-CE1 4.37Å; L198-F202 HydrophobicContact CD2-CZ 4.17Å; L198-F202 HydrophobicContact CG-CD1 4.49Å; L198-F202 HydrophobicContact CG-CE1 3.55Å; L198-F202 HydrophobicContact CG-CZ 3.64Å; L198-F202 VanDerWaalsContact O-CD1 3.22Å; L198-F202 WeakPolarHBondContact O-CD1 3.39Å; L198-F202 WeakPolarHBondContact O-CG 3.41Å; L198-F202 PolarHBondContact O-N 2.89Å; L198-L224 HydrophobicContact CD2-CD1 4.09Å; L198-L224 HydrophobicContact CD2-CG 4.18Å; L198-C227 HydrophobicContact CD1-CB 3.68Å; L198-L228 HydrophobicContact CB-CD2 3.75Å; L198-L228 HydrophobicContact CD1-CD2 3.89Å; L198-L228 HydrophobicContact CD1-CG 4.12Å; L198-L228 HydrophobicContact CD2-CD2 4.46Å; L198-L228 HydrophobicContact CG-CD2 4.23Å
199V98.1Very high95.9Very high14 Ų1444.3 Ų44.39%0.08521%0.214CC..Hα-helixtrans-63.1-40.4179171.20000111.4K129 Y132 L195 K196 V201 F202K129-V199 HydrophobicContact CB-CG2 4.42Å; K129-V199 HydrophobicContact CG-CG1 4.08Å; Y132-V199 HydrophobicContact CD1-CB 4.29Å; Y132-V199 HydrophobicContact CD1-CG1 4.04Å; Y132-V199 HydrophobicContact CD1-CG2 4.25Å; Y132-V199 HydrophobicContact CG-CG2 4.13Å; L195-V199 HydrophobicContact CD1-CG2 3.94Å; L195-V199 HydrophobicContact CG-CG2 4.38Å; L195-V199 WeakPolarHBondContact O-CG2 3.48Å; L195-V199 PolarHBondContact O-N 3.38Å; K196-V199 PolarHBondContact O-N 2.71Å; V199-V201 VanDerWaalsContact C-N 3.32Å; V199-V201 PolarHBondContact O-N 3.41Å; V199-F202 HydrophobicContact CG2-CD2 4.48Å; V199-F202 HydrophobicContact CG2-CE2 4.07Å; V199-F202 WeakPolarHBondContact O-CB 3.31Å; V199-F202 PolarHBondContact O-N 2.97Å
200N97.5Very high95.3Very high104 Ų10447.4 Ų47.456%0.55623%0.228SC*.Hα-helixtrans-65.6-33.7178.1-71.9-22.4000112.8K196 R197 L198K196-N200 WeakPolarHBondContact O-CB 3.37Å; K196-N200 PolarHBondContact O-N 3.04Å; K196-N200 PolarHBondContact O-ND2 2.7Å; R197-N200 PolarHBondContact O-N 2.93Å; L198-N200 VanDerWaalsContact C-N 3.32Å; L198-N200 PolarHBondContact O-N 2.68Å
201V96.9Very high94.4Very high11 Ų1156.7 Ų56.77%0.06726%0.263CS..Hα-helixtrans-82-12.5-179.978.90000113.4R197 L198 V199 Q203 D204 K207 C208 C227 T231R197-V201 PolarHBondContact O-N 2.84Å; R197-V201 VanDerWaalsContact O-N 3.08Å; L198-V201 HydrophobicContact CD1-CG1 4.42Å; L198-V201 VanDerWaalsContact O-CG1 3.28Å; L198-V201 WeakPolarHBondContact O-CG1 3.4Å; L198-V201 PolarHBondContact O-N 3.21Å; V199-V201 VanDerWaalsContact C-N 3.32Å; V199-V201 PolarHBondContact O-N 3.41Å; V201-Q203 PolarHBondContact O-N 3.27Å; V201-Q203 VanDerWaalsContact O-N 3.09Å; V201-D204 HydrophobicContact CG2-CB 4.17Å; V201-D204 WeakPolarHBondContact O-CB 3.5Å; V201-D204 PolarHBondContact O-N 3.38Å; V201-K207 HydrophobicContact CG2-CB 3.75Å; V201-K207 HydrophobicContact CG2-CD 4.09Å; V201-C208 HydrophobicContact CG1-CB 4.03Å; V201-C208 HydrophobicContact CG2-CB 4.25Å; V201-C208 WeakPolarHBondContact O-CB 3.4Å; V201-C227 HydrophobicContact CG1-CB 4.12Å; V201-T231 HydrophobicContact CB-CG2 3.83Å; V201-T231 HydrophobicContact CG1-CG2 3.94Å; V201-T231 HydrophobicContact CG2-CG2 4.02Å
202F95.3Very high92.9Very high13 Ų1357.9 Ų57.96%0.05728%0.275CS..THydrogen-bonded Turntrans-57.3-27.4179.2-72.4-20.2000114.3W121 R125 L128 K129 L198 V199 D204W121-F202 HydrophobicContact CH2-CE1 4.36Å; R125-F202 HydrophobicContact CB-CD2 4.31Å; R125-F202 HydrophobicContact CB-CE1 4.21Å; R125-F202 HydrophobicContact CB-CE2 3.96Å; R125-F202 HydrophobicContact CB-CZ 3.9Å; R125-F202 HydrophobicContact CG-CD1 4.05Å; R125-F202 HydrophobicContact CG-CE1 3.67Å; R125-F202 HydrophobicContact CG-CE2 4.33Å; R125-F202 HydrophobicContact CG-CZ 3.82Å; R125-F202 PolarHBondContact NH2-O 3.24Å; R125-F202 VanDerWaalsContact O-CE2 3.3Å; R125-F202 WeakPolarHBondContact O-CE2 3.46Å; L128-F202 HydrophobicContact CB-CZ 4.46Å; K129-F202 HydrophobicContact CB-CE2 4.36Å; L198-F202 HydrophobicContact CD1-CD1 4.3Å; L198-F202 HydrophobicContact CD1-CE1 3.52Å; L198-F202 HydrophobicContact CD1-CZ 4.14Å; L198-F202 HydrophobicContact CD2-CE1 4.37Å; L198-F202 HydrophobicContact CD2-CZ 4.17Å; L198-F202 HydrophobicContact CG-CD1 4.49Å; L198-F202 HydrophobicContact CG-CE1 3.55Å; L198-F202 HydrophobicContact CG-CZ 3.64Å; L198-F202 VanDerWaalsContact O-CD1 3.22Å; L198-F202 WeakPolarHBondContact O-CD1 3.39Å; L198-F202 WeakPolarHBondContact O-CG 3.41Å; L198-F202 PolarHBondContact O-N 2.89Å; V199-F202 HydrophobicContact CG2-CD2 4.48Å; V199-F202 HydrophobicContact CG2-CE2 4.07Å; V199-F202 WeakPolarHBondContact O-CB 3.31Å; V199-F202 PolarHBondContact O-N 2.97Å; F202-D204 VanDerWaalsContact C-N 3.32Å
203Q92.8Very high91.3Very high170 Ų17065.1 Ų65.179%0.79430%0.302SS*.THydrogen-bonded Turntrans-81.8-11.7179.1-59.7-178.211.200113.3V201 E205V201-Q203 PolarHBondContact O-N 3.27Å; V201-Q203 VanDerWaalsContact O-N 3.09Å; Q203-E205 PolarHBondContact O-N 2.77Å
204D94.1Very high89.3Confident48 Ų4873.7 Ų73.726%0.25734%0.343SS..  trans-93.890.8179.7-173.3-29.3000109V201 F202 D206 K207 C208V201-D204 HydrophobicContact CG2-CB 4.17Å; V201-D204 WeakPolarHBondContact O-CB 3.5Å; V201-D204 PolarHBondContact O-N 3.38Å; F202-D204 VanDerWaalsContact C-N 3.32Å; D204-D206 PolarHBondContact O-N 2.9Å; D204-D206 PolarHBondContact OD1-N 3.42Å; D204-K207 HydrophobicContact CB-CB 4.33Å; D204-K207 PolarHBondContact O-N 2.88Å; D204-K207 VanDerWaalsContact O-N 3.16Å; D204-K207 PolarHBondContact OD1-N 3.35Å; D204-K207 VanDerWaalsContact OD1-N 3.13Å; D204-K207 VanDerWaalsContact OD2-CD 3.25Å; D204-K207 WeakPolarHBondContact OD2-CD 3.33Å; D204-K207 VanDerWaalsContact OD2-CE 3.31Å; D204-K207 WeakPolarHBondContact OD2-CE 3.3Å; D204-K207 IonicContact OD2-NZ 2.75Å; D204-K207 PolarHBondContact OD2-NZ 2.95Å; D204-C208 CarbonylContact O-C 3.59Å; D204-C208 PolarHBondContact O-N 3.34Å
205E90.4Very high87.4Confident95 Ų9580.9 Ų80.944%0.44438%0.38SS..THydrogen-bonded Turntrans-62.9-22.4-177.1-70.7-62.9136.700113.7Q203 P209 E210Q203-E205 PolarHBondContact O-N 2.77Å; E205-P209 WeakPolarHBondContact OE2-CA 3.43Å; E205-E210 PolarHBondContact OE2-N 3.13Å
206D89.1Confident85.8Confident147 Ų14791.1 Ų91.179%0.78642%0.419SS*.THydrogen-bonded Turntrans-73.2-38.3177-71.4-33.1000111D204D204-D206 PolarHBondContact O-N 2.9Å; D204-D206 PolarHBondContact OD1-N 3.42Å
207K90.9Very high84.8Confident92 Ų9294 Ų9440%0.443%0.431SS..THydrogen-bonded Turntrans-89.9-34.3179-64.6-175-168.4124.70113.6V201 D204 F230V201-K207 HydrophobicContact CG2-CB 3.75Å; V201-K207 HydrophobicContact CG2-CD 4.09Å; D204-K207 HydrophobicContact CB-CB 4.33Å; D204-K207 PolarHBondContact O-N 2.88Å; D204-K207 VanDerWaalsContact O-N 3.16Å; D204-K207 PolarHBondContact OD1-N 3.35Å; D204-K207 VanDerWaalsContact OD1-N 3.13Å; D204-K207 VanDerWaalsContact OD2-CD 3.25Å; D204-K207 WeakPolarHBondContact OD2-CD 3.33Å; D204-K207 VanDerWaalsContact OD2-CE 3.31Å; D204-K207 WeakPolarHBondContact OD2-CE 3.3Å; D204-K207 IonicContact OD2-NZ 2.75Å; D204-K207 PolarHBondContact OD2-NZ 2.95Å; K207-F230 HydrophobicContact CD-CB 4.24Å
208C92.6Very high84.4Confident0 Ų093.9 Ų93.90%044%0.436CS..SBendtrans-142.276.4-173.4-169.80000111.3R125 V201 D204 C227R125-C208 PolarHBondContact NH1-O 2.85Å; V201-C208 HydrophobicContact CG1-CB 4.03Å; V201-C208 HydrophobicContact CG2-CB 4.25Å; V201-C208 WeakPolarHBondContact O-CB 3.4Å; D204-C208 CarbonylContact O-C 3.59Å; D204-C208 PolarHBondContact O-N 3.34Å; C208-C227 WeakPolarHBondContact CA-SG 3.3Å; C208-C227 HydrophobicContact CB-CB 3.67Å; C208-C227 WeakPolarHBondContact CB-SG 3.31Å; C208-C227 WeakPolarHBondContact SG-CB 3.37Å; C208-C227 CovalentContact SG-SG 2.03Å; C208-C227 PolarHBondContact SG-SG 3.13Å
209P89.8Confident84.1Confident32 Ų3296.5 Ų96.521%0.20845%0.454CS..  trans-64.2138-177.925.8-34.2000111.8W121 R125 E205 R211W121-P209 PolarHBondContact NE1-O 2.75Å; R125-P209 VanDerWaalsContact NH1-C 3.33Å; R125-P209 PolarHBondContact NH1-O 3.09Å; E205-P209 WeakPolarHBondContact OE2-CA 3.43Å; P209-R211 VanDerWaalsContact C-N 3.28Å; P209-R211 PolarHBondContact O-N 3.12Å
210E86.3Confident83.9Confident65 Ų6597.3 Ų97.330%0.30446%0.458SS..SBendtrans-69.9-29.9177-172.4177-152.600112A122 R125 E205A122-E210 HydrophobicContact CB-CG 4.12Å; R125-E210 VanDerWaalsContact NH1-N 3.19Å; E205-E210 PolarHBondContact OE2-N 3.13Å
211R81Confident83.8Confident195 Ų19593.2 Ų93.274%0.73644%0.436SS*.SBendtrans-120.6126.7176.6-63.2-178.3-177.1164.32.5109P209P209-R211 VanDerWaalsContact C-N 3.28Å; P209-R211 PolarHBondContact O-N 3.12Å
212G66.4Low83.7Confident25 Ų2594.8 Ų94.826%0.25844%0.442SS..  trans-49.3144.5175.600000111.6Q214G212-Q214 PolarHBondContact O-N 2.92Å
213R65.5Low83.7Confident196 Ų19694.6 Ų94.674%0.7444%0.442SS*.  trans-58.3126.8178.1-63-173.9-172.6-166.31.6108.6L215 W216R213-L215 PolarHBondContact O-N 3.21Å; R213-W216 PolarHBondContact O-N 3.25Å; R213-W216 VanDerWaalsContact O-N 3.1Å
214Q56.4Low83.8Confident204 Ų20486.6 Ų86.695%0.95340%0.404SS*.THydrogen-bonded Turntrans-55.2-14.8-164.6-69.4154.5-3.500116.1G212G212-Q214 PolarHBondContact O-N 2.92Å
215L57.4Low83.9Confident150 Ų15084.4 Ų84.479%0.78539%0.393SS*.THydrogen-bonded Turntrans-84.9-29.2-178.9-80.6146.4000113.5R213R213-L215 PolarHBondContact O-N 3.21Å
216W66Low84.1Confident216 Ų21682 Ų8282%0.81838%0.384SS*.  trans-153.4106.5-180-52.594.3000110.1R213 L218R213-W216 PolarHBondContact O-N 3.25Å; R213-W216 VanDerWaalsContact O-N 3.1Å; W216-L218 PolarHBondContact O-N 2.86Å
217K78.4Confident84.3Confident121 Ų12175 Ų7553%0.52635%0.347SS..  trans-72.4112.5174.6-176.1168.7176.5173.20109D119D119-K217 IonicContact OD2-NZ 2.86Å; D119-K217 PolarHBondContact OD2-NZ 3.26Å
218L88.3Confident84.6Confident74 Ų7470.7 Ų70.739%0.38733%0.329SS..  trans-66.6151.6169.5-68.8175.9000109.7W216 K222 Q223 V226W216-L218 PolarHBondContact O-N 2.86Å; L218-K222 HydrophobicContact CB-CB 4.08Å; L218-K222 HydrophobicContact CD1-CB 4.5Å; L218-K222 HydrophobicContact CD2-CB 4.41Å; L218-K222 HydrophobicContact CD2-CD 4.24Å; L218-Q223 HydrophobicContact CB-CG 3.68Å; L218-Q223 PolarHBondContact O-NE2 2.73Å; L218-Q223 VanDerWaalsContact O-NE2 3.08Å; L218-V226 HydrophobicContact CD1-CG2 4.17Å
219S92.7Very high84.4Confident54 Ų5475.8 Ų75.838%0.37835%0.351SS..  trans-63.6153.816851.10000110.5D221 K222 Q223S219-D221 VanDerWaalsContact C-N 3.25Å; S219-D221 WeakPolarHBondContact CB-OD1 3.25Å; S219-D221 PolarHBondContact O-N 3.28Å; S219-D221 PolarHBondContact OG-OD1 3.05Å; S219-K222 WeakPolarHBondContact O-CB 3.49Å; S219-K222 PolarHBondContact O-N 2.78Å; S219-K222 WeakPolarHBondContact OG-CG 3.35Å; S219-Q223 PolarHBondContact O-N 3.47Å
220D94Very high84.2Confident31 Ų3180.9 Ų80.917%0.16637%0.37CS..Hα-helixtrans-61.2-33.3-172.2-59.5-21000112.9D120 L124 L184 Q223 L224D120-D220 VanDerWaalsContact CB-OD2 3.24Å; D120-D220 WeakPolarHBondContact CB-OD2 3.31Å; L124-D220 HydrophobicContact CD2-CB 4.39Å; L184-D220 HydrophobicContact CD2-CB 4.11Å; D220-Q223 PolarHBondContact O-N 2.98Å; D220-Q223 PolarHBondContact OD1-NE2 2.69Å; D220-L224 WeakPolarHBondContact O-CB 3.46Å; D220-L224 PolarHBondContact O-N 3.17Å
221D95.6Very high84.6Confident18 Ų1879 Ų7910%0.09636%0.363CS..Hα-helixtrans-64.2-41.3172503.2000113.3Y181 V182 L184 S219 L224 A225Y181-D221 HydrophobicContact CD2-CB 4.04Å; Y181-D221 WeakPolarHBondContact CE2-OD2 3.48Å; V182-D221 VanDerWaalsContact O-CB 3.32Å; V182-D221 WeakPolarHBondContact O-CB 3.4Å; L184-D221 HydrophobicContact CB-CB 3.93Å; L184-D221 PolarHBondContact N-OD2 2.72Å; S219-D221 VanDerWaalsContact C-N 3.25Å; S219-D221 WeakPolarHBondContact CB-OD1 3.25Å; S219-D221 PolarHBondContact O-N 3.28Å; S219-D221 PolarHBondContact OG-OD1 3.05Å; D221-L224 PolarHBondContact O-N 3.09Å; D221-A225 WeakPolarHBondContact O-CB 3.44Å; D221-A225 PolarHBondContact O-N 2.82Å
222K94.9Very high85.2Confident44 Ų4472 Ų7219%0.19135%0.352CS..Hα-helixtrans-68.7-37.3174.4-70.7-175.2-176.8-170.40111.4S176 L179 Y181 L218 S219 A225 V226S176-K222 PolarHBondContact OG-NZ 2.86Å; L179-K222 HydrophobicContact CD2-CB 4.01Å; L179-K222 HydrophobicContact CD2-CG 4.04Å; Y181-K222 HydrophobicContact CD1-CG 4.21Å; Y181-K222 HydrophobicContact CD2-CG 4.23Å; Y181-K222 HydrophobicContact CE1-CG 4.21Å; Y181-K222 HydrophobicContact CE2-CG 4.22Å; Y181-K222 HydrophobicContact CG-CG 4.23Å; Y181-K222 WeakPolarHBondContact OH-CE 3.25Å; L218-K222 HydrophobicContact CB-CB 4.08Å; L218-K222 HydrophobicContact CD1-CB 4.5Å; L218-K222 HydrophobicContact CD2-CB 4.41Å; L218-K222 HydrophobicContact CD2-CD 4.24Å; S219-K222 WeakPolarHBondContact O-CB 3.49Å; S219-K222 PolarHBondContact O-N 2.78Å; S219-K222 WeakPolarHBondContact OG-CG 3.35Å; K222-A225 PolarHBondContact O-N 3.33Å; K222-V226 WeakPolarHBondContact O-CB 3.35Å; K222-V226 VanDerWaalsContact O-CG2 3.23Å; K222-V226 WeakPolarHBondContact O-CG2 3.28Å; K222-V226 PolarHBondContact O-N 3.31Å
223Q94.7Very high86.7Confident10 Ų1071.4 Ų71.45%0.04734%0.343CS..Hα-helixtrans-63.6-45.2174.1-67.7-177.795.400110.9W121 L218 S219 D220 A225 V226 C227W121-Q223 VanDerWaalsContact CB-NE2 3.33Å; W121-Q223 HydrophobicContact CD2-CB 3.64Å; W121-Q223 HydrophobicContact CD2-CG 4.44Å; W121-Q223 HydrophobicContact CE3-CB 3.83Å; W121-Q223 HydrophobicContact CG-CB 4.12Å; W121-Q223 HydrophobicContact CG-CG 4.43Å; W121-Q223 HydrophobicContact CH2-CB 4.33Å; W121-Q223 HydrophobicContact CZ2-CB 4.13Å; W121-Q223 HydrophobicContact CZ3-CB 4.18Å; L218-Q223 HydrophobicContact CB-CG 3.68Å; L218-Q223 PolarHBondContact O-NE2 2.73Å; L218-Q223 VanDerWaalsContact O-NE2 3.08Å; S219-Q223 PolarHBondContact O-N 3.47Å; D220-Q223 PolarHBondContact O-N 2.98Å; D220-Q223 PolarHBondContact OD1-NE2 2.69Å; Q223-A225 PolarHBondContact O-N 2.87Å; Q223-V226 PolarHBondContact O-N 2.86Å; Q223-C227 PolarHBondContact O-N 3.39Å; Q223-C227 VanDerWaalsContact O-N 3.11Å; Q223-C227 PolarHBondContact O-SG 3.43Å
224L96Very high88.1Confident1 Ų165.6 Ų65.61%0.00532%0.323CS..Hα-helixtrans-57-49173.6-176.8144.7000111.7W121 L124 L128 Y169 L198 D220 D221 V226 C227 L228W121-L224 HydrophobicContact CH2-CB 4.2Å; W121-L224 HydrophobicContact CZ3-CB 3.84Å; L124-L224 HydrophobicContact CD2-CD1 4.39Å; L128-L224 HydrophobicContact CD1-CD1 4.06Å; Y169-L224 HydrophobicContact CD2-CD2 4.13Å; Y169-L224 HydrophobicContact CE2-CD2 3.77Å; L198-L224 HydrophobicContact CD2-CD1 4.09Å; L198-L224 HydrophobicContact CD2-CG 4.18Å; D220-L224 WeakPolarHBondContact O-CB 3.46Å; D220-L224 PolarHBondContact O-N 3.17Å; D221-L224 PolarHBondContact O-N 3.09Å; L224-V226 PolarHBondContact O-N 2.84Å; L224-C227 WeakPolarHBondContact O-CB 3.35Å; L224-C227 PolarHBondContact O-N 3.21Å; L224-L228 HydrophobicContact CD2-CD1 3.49Å; L224-L228 VanDerWaalsContact CD2-CD1 3.49Å; L224-L228 HydrophobicContact CD2-CG 4.35Å; L224-L228 HydrophobicContact CG-CD1 4.31Å; L224-L228 WeakPolarHBondContact O-CG 3.21Å; L224-L228 PolarHBondContact O-N 3.31Å
225A95.8Very high90Very high2 Ų256.1 Ų56.12%0.01728%0.279CS..Hα-helixtrans-64.2-37.5179.400000112.9Y169 L179 D221 K222 Q223 C227 L228 K229Y169-A225 WeakPolarHBondContact OH-CB 3.38Å; L179-A225 HydrophobicContact CD1-CB 3.93Å; L179-A225 HydrophobicContact CG-CB 4.4Å; D221-A225 WeakPolarHBondContact O-CB 3.44Å; D221-A225 PolarHBondContact O-N 2.82Å; K222-A225 PolarHBondContact O-N 3.33Å; Q223-A225 PolarHBondContact O-N 2.87Å; A225-C227 VanDerWaalsContact C-N 3.33Å; A225-C227 PolarHBondContact O-N 3.4Å; A225-L228 PolarHBondContact O-N 2.92Å; A225-K229 WeakPolarHBondContact O-CB 3.45Å; A225-K229 PolarHBondContact O-N 3.47Å
226V93.6Very high91.8Very high44 Ų4449.9 Ų49.927%0.26725%0.246SC..Hα-helixtrans-60.4-43.7174.2165.70000111.1L179 L218 K222 Q223 L224 L228 K229L179-V226 HydrophobicContact CD1-CG2 4.33Å; L179-V226 HydrophobicContact CD2-CG2 4.17Å; L218-V226 HydrophobicContact CD1-CG2 4.17Å; K222-V226 WeakPolarHBondContact O-CB 3.35Å; K222-V226 VanDerWaalsContact O-CG2 3.23Å; K222-V226 WeakPolarHBondContact O-CG2 3.28Å; K222-V226 PolarHBondContact O-N 3.31Å; Q223-V226 PolarHBondContact O-N 2.86Å; L224-V226 PolarHBondContact O-N 2.84Å; V226-L228 VanDerWaalsContact C-N 3.34Å; V226-L228 PolarHBondContact O-N 3.25Å; V226-K229 PolarHBondContact O-N 3.29Å
227C94.8Very high93.3Very high2 Ų240.4 Ų40.41%0.01421%0.211CC..Hα-helixtrans-63.9-39.1176.7-63.60000112.4W121 L198 V201 C208 Q223 L224 A225W121-C227 WeakPolarHBondContact CZ2-SG 3.26Å; L198-C227 HydrophobicContact CD1-CB 3.68Å; V201-C227 HydrophobicContact CG1-CB 4.12Å; C208-C227 WeakPolarHBondContact CA-SG 3.3Å; C208-C227 HydrophobicContact CB-CB 3.67Å; C208-C227 WeakPolarHBondContact CB-SG 3.31Å; C208-C227 WeakPolarHBondContact SG-CB 3.37Å; C208-C227 CovalentContact SG-SG 2.03Å; C208-C227 PolarHBondContact SG-SG 3.13Å; Q223-C227 PolarHBondContact O-N 3.39Å; Q223-C227 VanDerWaalsContact O-N 3.11Å; Q223-C227 PolarHBondContact O-SG 3.43Å; L224-C227 WeakPolarHBondContact O-CB 3.35Å; L224-C227 PolarHBondContact O-N 3.21Å; A225-C227 VanDerWaalsContact C-N 3.33Å; A225-C227 PolarHBondContact O-N 3.4Å
228L95.7Very high94.1Very high1 Ų134.7 Ų34.71%0.00519%0.187CC..Hα-helixtrans-74.2-30180-71.3-180000113.6Y169 L190 L198 L224 A225 V226 F230 T231 V233Y169-L228 HydrophobicContact CD1-CD1 3.7Å; Y169-L228 HydrophobicContact CD2-CD1 4.2Å; Y169-L228 HydrophobicContact CE1-CD1 3.63Å; Y169-L228 HydrophobicContact CE2-CD1 4.12Å; Y169-L228 HydrophobicContact CG-CD1 4Å; L190-L228 HydrophobicContact CD2-CD1 4.44Å; L198-L228 HydrophobicContact CB-CD2 3.75Å; L198-L228 HydrophobicContact CD1-CD2 3.89Å; L198-L228 HydrophobicContact CD1-CG 4.12Å; L198-L228 HydrophobicContact CD2-CD2 4.46Å; L198-L228 HydrophobicContact CG-CD2 4.23Å; L224-L228 HydrophobicContact CD2-CD1 3.49Å; L224-L228 VanDerWaalsContact CD2-CD1 3.49Å; L224-L228 HydrophobicContact CD2-CG 4.35Å; L224-L228 HydrophobicContact CG-CD1 4.31Å; L224-L228 WeakPolarHBondContact O-CG 3.21Å; L224-L228 PolarHBondContact O-N 3.31Å; A225-L228 PolarHBondContact O-N 2.92Å; V226-L228 VanDerWaalsContact C-N 3.34Å; V226-L228 PolarHBondContact O-N 3.25Å; L228-F230 PolarHBondContact O-N 2.94Å; L228-F230 VanDerWaalsContact O-N 3.09Å; L228-T231 PolarHBondContact O-N 3.27Å; L228-T231 PolarHBondContact O-OG1 2.99Å; L228-V233 HydrophobicContact CB-CB 4.05Å; L228-V233 HydrophobicContact CB-CG1 4.19Å; L228-V233 HydrophobicContact CD1-CG1 3.87Å; L228-V233 HydrophobicContact CD2-CB 3.86Å; L228-V233 HydrophobicContact CD2-CG1 3.85Å; L228-V233 HydrophobicContact CD2-CG2 3.96Å; L228-V233 HydrophobicContact CG-CB 4.38Å; L228-V233 HydrophobicContact CG-CG1 4.19Å
229K89.5Confident94.4Very high107 Ų10732.6 Ų32.647%0.46518%0.175SC..Hα-helixtrans-53-38.2-173.7-177.8168.2-178.6163.30113.5E178 L179 A225 V226E178-K229 PolarHBondContact O-NZ 3.08Å; L179-K229 HydrophobicContact CD1-CD 4.48Å; A225-K229 WeakPolarHBondContact O-CB 3.45Å; A225-K229 PolarHBondContact O-N 3.47Å; V226-K229 PolarHBondContact O-N 3.29Å
230F85.8Confident94.4Very high138 Ų13830.7 Ų30.761%0.60516%0.161SC*.THydrogen-bonded Turntrans-95.31.3-177.5-61.7-69.3000114.3K207 L228K207-F230 HydrophobicContact CD-CB 4.24Å; L228-F230 PolarHBondContact O-N 2.94Å; L228-F230 VanDerWaalsContact O-N 3.09Å
231T94.1Very high94Very high27 Ų2734.3 Ų34.317%0.16618%0.184CC..THydrogen-bonded Turntrans-99.93177.668.30000112.2R197 V201 L228 V233R197-T231 VanDerWaalsContact CD-O 3.3Å; R197-T231 WeakPolarHBondContact CD-O 3.41Å; R197-T231 PolarHBondContact NH1-O 2.76Å; V201-T231 HydrophobicContact CB-CG2 3.83Å; V201-T231 HydrophobicContact CG1-CG2 3.94Å; V201-T231 HydrophobicContact CG2-CG2 4.02Å; L228-T231 PolarHBondContact O-N 3.27Å; L228-T231 PolarHBondContact O-OG1 2.99Å; T231-V233 VanDerWaalsContact C-N 3.25Å; T231-V233 PolarHBondContact O-N 3.44Å; T231-V233 WeakPolarHBondContact OG1-CG2 3.32Å
232G93.8Very high93.7Very high48 Ų4840.5 Ų40.550%0.49521%0.212SC..THydrogen-bonded Turntrans73.818-177.600000113.2
233V97.4Very high93.4Very high12 Ų1240.1 Ų40.17%0.07322%0.221CC..  trans-87.1135.3172.1173.80000109.5P167 Y169 A194 R197 L228 T231P167-V233 HydrophobicContact CB-CG2 3.86Å; P167-V233 WeakPolarHBondContact O-CA 3.48Å; Y169-V233 HydrophobicContact CD1-CG1 3.64Å; Y169-V233 HydrophobicContact CE1-CG1 4.15Å; A194-V233 HydrophobicContact CB-CG1 3.74Å; A194-V233 HydrophobicContact CB-CG2 4.17Å; R197-V233 HydrophobicContact CB-CG2 4.05Å; R197-V233 HydrophobicContact CG-CG2 4.48Å; L228-V233 HydrophobicContact CB-CB 4.05Å; L228-V233 HydrophobicContact CB-CG1 4.19Å; L228-V233 HydrophobicContact CD1-CG1 3.87Å; L228-V233 HydrophobicContact CD2-CB 3.86Å; L228-V233 HydrophobicContact CD2-CG1 3.85Å; L228-V233 HydrophobicContact CD2-CG2 3.96Å; L228-V233 HydrophobicContact CG-CB 4.38Å; L228-V233 HydrophobicContact CG-CG1 4.19Å; T231-V233 VanDerWaalsContact C-N 3.25Å; T231-V233 PolarHBondContact O-N 3.44Å; T231-V233 WeakPolarHBondContact OG1-CG2 3.32Å
234F95.4Very high93.3Very high74 Ų7442 Ų4233%0.32523%0.229SC..EExtended strand (participates in β ladder)trans-119.9150.3-178.459.8-85.4000112.2P167 F168 Y169 E236P167-F234 HydrophobicContact CG-CE1 4.28Å; P167-F234 VanDerWaalsContact O-CD1 3.22Å; P167-F234 WeakPolarHBondContact O-CD1 3.44Å; P167-F234 WeakPolarHBondContact O-CE1 3.41Å; P167-F234 PolarHBondContact O-N 3.02Å; P167-F234 VanDerWaalsContact O-N 3.11Å; F168-F234 VanDerWaalsContact CA-O 3.29Å; F168-F234 WeakPolarHBondContact CA-O 3.39Å; F168-F234 HydrophobicContact CB-CD1 4.37Å; F168-F234 HydrophobicContact CB-CD2 4Å; F168-F234 HydrophobicContact CB-CE1 4.02Å; F168-F234 HydrophobicContact CB-CE2 3.63Å; F168-F234 HydrophobicContact CB-CG 4.36Å; F168-F234 HydrophobicContact CB-CZ 3.64Å; F168-F234 HydrophobicContact CG-CZ 4.45Å; Y169-F234 WeakPolarHBondContact CD1-O 3.35Å; Y169-F234 PolarHBondContact N-O 2.82Å; Y169-F234 VanDerWaalsContact N-O 3.08Å; F234-E236 HydrophobicContact CD2-CG 3.82Å; F234-E236 HydrophobicContact CE2-CG 3.66Å; F234-E236 WeakPolarHBondContact CE2-OE1 2.91Å
235A96.8Very high93.2Very high4 Ų443.4 Ų43.43%0.03324%0.243CC..EExtended strand (participates in β ladder)trans-84142177.200000110.2Y169 E180 V182Y169-A235 HydrophobicContact CD1-CB 4.38Å; Y169-A235 HydrophobicContact CE1-CB 3.69Å; Y169-A235 HydrophobicContact CE2-CB 4.47Å; Y169-A235 CarbonylContact O-C 3.6Å; Y169-A235 WeakPolarHBondContact O-CA 3.41Å; E180-A235 HydrophobicContact CG-CB 4.1Å; V182-A235 HydrophobicContact CG2-CB 3.94Å
236E95.6Very high93.2Very high19 Ų1943.6 Ų43.69%0.08924%0.244CC..EExtended strand (participates in β ladder)trans-124.8136.3170.5-59.9-162.7126.100111.5H44 V46 F168 Y169 L170 G171 F234H44-E236 HydrophobicContact CB-CG 3.95Å; H44-E236 CarbonylContact O-C 3.53Å; H44-E236 WeakPolarHBondContact O-CA 3.3Å; V46-E236 HydrophobicContact CG2-CB 3.55Å; V46-E236 HydrophobicContact CG2-CG 4.01Å; V46-E236 WeakPolarHBondContact CG2-OE2 3.31Å; F168-E236 HydrophobicContact CB-CG 4.34Å; F168-E236 HydrophobicContact CD2-CG 4.14Å; F168-E236 WeakPolarHBondContact CD2-OE2 3.43Å; F168-E236 WeakPolarHBondContact CE2-OE2 3.4Å; Y169-E236 PolarHBondContact O-N 3.27Å; L170-E236 VanDerWaalsContact CA-O 3.25Å; L170-E236 WeakPolarHBondContact CA-O 3.24Å; L170-E236 HydrophobicContact CB-CB 4.29Å; G171-E236 PolarHBondContact N-O 3.37Å; F234-E236 HydrophobicContact CD2-CG 3.82Å; F234-E236 HydrophobicContact CE2-CG 3.66Å; F234-E236 WeakPolarHBondContact CE2-OE1 2.91Å
237N97Very high93.5Very high17 Ų1741.7 Ų41.79%0.09123%0.232CC..EExtended strand (participates in β ladder)trans-84124.3174.6-16043.9000110.4H43 H44 H45 V46 G171 A173 E239H43-N237 HydrophobicContact CB-CB 4.47Å; H44-N237 PolarHBondContact O-N 3.08Å; H45-N237 CarbonylContact C-O 3.53Å; H45-N237 WeakPolarHBondContact CA-O 3.45Å; V46-N237 PolarHBondContact N-O 2.96Å; G171-N237 WeakPolarHBondContact O-CA 3.29Å; G171-N237 PolarHBondContact O-OD1 3.06Å; A173-N237 HydrophobicContact CB-CB 3.78Å; A173-N237 PolarHBondContact N-OD1 2.74Å; N237-E239 WeakPolarHBondContact ND2-CG 3.49Å; N237-E239 PolarHBondContact ND2-OE1 3.24Å
238G95.8Very high93.6Very high1 Ų142.5 Ų42.51%0.0124%0.236CC..EExtended strand (participates in β ladder)trans-81.7116.8175.100000111.8G171 L246G171-G238 PolarHBondContact O-N 2.87Å; G238-L246 PolarHBondContact O-N 2.74Å
239E94.6Very high93.5Very high31 Ų3144.1 Ų44.115%0.14525%0.247CC..BIsolated β-bridgetrans-136154.8179.4-73.1172.7-168.600112H45 V46 N237 K244H45-E239 IonicContact CE1-OE1 3.31Å; H45-E239 PolarHBondContact CE1-OE1 3.27Å; H45-E239 VanDerWaalsContact CE1-OE1 3.24Å; H45-E239 IonicContact CE1-OE2 3.99Å; H45-E239 IonicContact CG-OE2 3.61Å; H45-E239 IonicContact ND1-OE1 2.77Å; H45-E239 PolarHBondContact ND1-OE1 3.44Å; H45-E239 IonicContact ND1-OE2 3.79Å; H45-E239 PolarHBondContact ND1-OE2 3.36Å; V46-E239 PolarHBondContact O-N 3Å; V46-E239 VanDerWaalsContact O-O 3.08Å; N237-E239 WeakPolarHBondContact ND2-CG 3.49Å; N237-E239 PolarHBondContact ND2-OE1 3.24Å; E239-K244 CarbonylContact C-O 3.53Å; E239-K244 VanDerWaalsContact CA-O 3.25Å; E239-K244 WeakPolarHBondContact CA-O 3.36Å
240D90.8Very high93.8Very high13 Ų1342.9 Ų42.97%0.0724%0.242CC..  trans-81.2-178.2169.171.217.2000113K47 H242 G243 K244 L246 S273K47-D240 VanDerWaalsContact CE-O 3.3Å; K47-D240 WeakPolarHBondContact CE-O 3.25Å; D240-H242 PolarHBondContact O-N 3.19Å; D240-H242 VanDerWaalsContact OD1-C 3.29Å; D240-H242 VanDerWaalsContact OD1-CA 3.29Å; D240-H242 WeakPolarHBondContact OD1-CA 3.29Å; D240-H242 WeakPolarHBondContact OD1-CB 3.25Å; D240-H242 PolarHBondContact OD1-N 2.7Å; D240-G243 PolarHBondContact O-N 3.25Å; D240-G243 PolarHBondContact OD1-N 2.86Å; D240-K244 PolarHBondContact N-O 3.03Å; D240-K244 PolarHBondContact OD1-N 2.8Å; D240-K244 WeakPolarHBondContact OD2-CB 3.39Å; D240-L246 HydrophobicContact CB-CD2 3.97Å; D240-S273 WeakPolarHBondContact CB-OG 3.47Å; D240-S273 VanDerWaalsContact OD2-CB 3.27Å; D240-S273 WeakPolarHBondContact OD2-CB 3.3Å; D240-S273 PolarHBondContact OD2-OG 2.77Å
241V87.6Confident94.3Very high107 Ų10737.5 Ų37.565%0.64822%0.221SC*.THydrogen-bonded Turntrans-57.7-31.2178.800000111.7K47K47-V241 PolarHBondContact NZ-O 2.85Å
242H88.1Confident94.3Very high148 Ų14837.7 Ų37.769%0.68522%0.222SC*.THydrogen-bonded Turntrans-91.22.6-178.9-49.1106.5000113.1D240D240-H242 PolarHBondContact O-N 3.19Å; D240-H242 VanDerWaalsContact OD1-C 3.29Å; D240-H242 VanDerWaalsContact OD1-CA 3.29Å; D240-H242 WeakPolarHBondContact OD1-CA 3.29Å; D240-H242 WeakPolarHBondContact OD1-CB 3.25Å; D240-H242 PolarHBondContact OD1-N 2.7Å
243G88.9Confident94.4Very high37 Ų3740.2 Ų40.238%0.38122%0.224SC..SBendtrans79.213.5-179.200000114.1D240D240-G243 PolarHBondContact O-N 3.25Å; D240-G243 PolarHBondContact OD1-N 2.86Å
244K91.6Very high94.3Very high50 Ų5041.4 Ų41.422%0.21723%0.233CC..  trans-78134.9173.4-57.5179.5178.51740109.7E239 D240 E269 C272E239-K244 CarbonylContact C-O 3.53Å; E239-K244 VanDerWaalsContact CA-O 3.25Å; E239-K244 WeakPolarHBondContact CA-O 3.36Å; D240-K244 PolarHBondContact N-O 3.03Å; D240-K244 PolarHBondContact OD1-N 2.8Å; D240-K244 WeakPolarHBondContact OD2-CB 3.39Å; K244-E269 WeakPolarHBondContact CE-O 3.44Å; K244-E269 PolarHBondContact NZ-O 2.96Å; K244-C272 VanDerWaalsContact CD-O 3.23Å; K244-C272 WeakPolarHBondContact CD-O 3.44Å; K244-C272 PolarHBondContact NZ-O 3.14Å
245G94.2Very high94.2Very high30 Ų3039.2 Ų39.231%0.30922%0.224SC..BIsolated β-bridgetrans-62.2136.1176.800000112.5
246L97.4Very high94.1Very high6 Ų642 Ų423%0.03124%0.238CC..SBendtrans-89.5-25.7176.9-58.5-175.5000112.4L158 G238 D240 S273 L275 V277 T278L158-L246 HydrophobicContact CD1-CD1 3.48Å; L158-L246 VanDerWaalsContact CD1-CD1 3.48Å; L158-L246 HydrophobicContact CD2-CD1 3.95Å; L158-L246 HydrophobicContact CG-CD1 4.22Å; G238-L246 PolarHBondContact O-N 2.74Å; D240-L246 HydrophobicContact CB-CD2 3.97Å; L246-S273 VanDerWaalsContact CD2-CB 3.48Å; L246-S273 WeakPolarHBondContact CD2-OG 3.37Å; L246-L275 HydrophobicContact CD2-CB 4.47Å; L246-V277 HydrophobicContact CB-CG2 4.05Å; L246-V277 PolarHBondContact O-N 2.95Å; L246-T278 PolarHBondContact O-N 2.73Å
247F98.1Very high94Very high4 Ų442.8 Ų42.82%0.01825%0.246CC..EExtended strand (participates in β ladder)trans-105.6109.3-179.2-66.4-96.8000110.3F142 L155 L158 L170 G171 K172 V189 V277 T278F142-F247 HydrophobicContact CE2-CE1 4.47Å; L155-F247 HydrophobicContact CD1-CZ 4.25Å; L158-F247 HydrophobicContact CD2-CE2 3.56Å; L158-F247 HydrophobicContact CD2-CZ 4Å; L170-F247 HydrophobicContact CD1-CE1 4.27Å; L170-F247 HydrophobicContact CD1-CE2 3.56Å; L170-F247 HydrophobicContact CD1-CZ 3.29Å; G171-F247 VanDerWaalsContact CA-CD2 3.5Å; G171-F247 VanDerWaalsContact CA-CG 3.48Å; K172-F247 HydrophobicContact CB-CB 4.17Å; V189-F247 HydrophobicContact CG2-CE1 3.98Å; V189-F247 HydrophobicContact CG2-CZ 4.09Å; F247-V277 HydrophobicContact CD1-CB 4.37Å; F247-V277 HydrophobicContact CD1-CG1 4.31Å; F247-V277 HydrophobicContact CE1-CB 4.03Å; F247-V277 HydrophobicContact CE1-CG1 3.65Å; F247-V277 HydrophobicContact CE2-CB 4.34Å; F247-V277 HydrophobicContact CE2-CG2 4.28Å; F247-V277 HydrophobicContact CZ-CB 4Å; F247-V277 HydrophobicContact CZ-CG1 3.83Å; F247-V277 HydrophobicContact CZ-CG2 4.14Å; F247-T278 VanDerWaalsContact CA-OG1 3.31Å; F247-T278 WeakPolarHBondContact CA-OG1 3.36Å; F247-T278 HydrophobicContact CD1-CG2 3.84Å; F247-T278 HydrophobicContact CE1-CG2 4.21Å
248N96.8Very high93.8Very high18 Ų1844.8 Ų44.810%0.09626%0.255CS..EExtended strand (participates in β ladder)trans-104.6120.1-173.6-58.1-81.3000111.8K250 L255 T278 F279 S280N248-K250 PolarHBondContact O-N 3.25Å; N248-L255 HydrophobicContact CB-CD1 3.85Å; N248-L255 WeakPolarHBondContact OD1-CD1 3.25Å; N248-T278 WeakPolarHBondContact CB-O 3.34Å; N248-T278 PolarHBondContact N-O 3.26Å; N248-T278 VanDerWaalsContact N-O 3.13Å; N248-T278 PolarHBondContact N-OG1 3.39Å; N248-T278 VanDerWaalsContact N-OG1 3.12Å; N248-T278 PolarHBondContact ND2-O 3.26Å; N248-F279 HydrophobicContact CB-CD1 3.84Å; N248-F279 HydrophobicContact CB-CE1 4.29Å; N248-F279 WeakPolarHBondContact ND2-CE1 3.4Å; N248-S280 PolarHBondContact O-N 3.45Å
249S94.9Very high93.6Very high35 Ų3545 Ų4525%0.24526%0.255CS..SBendtrans-81.715.2170.346.20000114.1K172 E183K172-S249 PolarHBondContact NZ-OG 3.21Å; E183-S249 PolarHBondContact OE2-OG 3.1Å
250K95.6Very high93.5Very high81 Ų8147.9 Ų47.935%0.35227%0.27SS..SBendtrans-129.8163.6178.4-62.8-175.2-173.3178.10110.7N248 L255 E258 S280N248-K250 PolarHBondContact O-N 3.25Å; K250-L255 HydrophobicContact CB-CD2 4.13Å; K250-L255 HydrophobicContact CB-CG 4.09Å; K250-L255 HydrophobicContact CD-CD2 4.04Å; K250-E258 IonicContact NZ-OE1 3.14Å; K250-E258 PolarHBondContact NZ-OE1 3.2Å; K250-E258 IonicContact NZ-OE2 2.63Å; K250-E258 PolarHBondContact NZ-OE2 3.35Å; K250-S280 CarbonylContact C-O 3.09Å; K250-S280 PolarHBondContact O-N 3.48Å
251T96.8Very high93.6Very high26 Ų2655.4 Ų55.416%0.1630%0.302CS..  trans-71.3154.8171.664.90000110.5D253 S254 L255 S280 G281 L282T251-D253 PolarHBondContact O-N 3.17Å; T251-S254 PolarHBondContact O-N 3.17Å; T251-S254 WeakPolarHBondContact OG1-CB 3.48Å; T251-S254 PolarHBondContact OG1-N 3.46Å; T251-S254 VanDerWaalsContact OG1-N 3.09Å; T251-L255 WeakPolarHBondContact O-CG 3.27Å; T251-L255 PolarHBondContact O-N 2.74Å; T251-L255 VanDerWaalsContact O-N 3.12Å; T251-S280 WeakPolarHBondContact CA-O 3.27Å; T251-S280 WeakPolarHBondContact CG2-O 3.44Å; T251-S280 PolarHBondContact N-O 2.9Å; T251-S280 VanDerWaalsContact N-O 3.1Å; T251-G281 VanDerWaalsContact CG2-O 3.25Å; T251-G281 WeakPolarHBondContact CG2-O 3.44Å; T251-L282 HydrophobicContact CG2-CD2 3.9Å
252V94.4Very high93.6Very high30 Ų3056.4 Ų56.418%0.18230%0.3CS..Hα-helixtrans-55.8-43.2172.8-172.40000110.9S254 L255 I256 F279 M290V252-S254 VanDerWaalsContact C-N 3.35Å; V252-S254 PolarHBondContact O-N 2.77Å; V252-L255 PolarHBondContact O-N 2.67Å; V252-I256 HydrophobicContact CG1-CD1 3.74Å; V252-I256 HydrophobicContact CG1-CG1 4.21Å; V252-I256 VanDerWaalsContact O-CG1 3.32Å; V252-I256 WeakPolarHBondContact O-CG1 3.26Å; V252-I256 PolarHBondContact O-N 2.63Å; V252-F279 HydrophobicContact CB-CD1 4.35Å; V252-F279 HydrophobicContact CB-CE1 4.47Å; V252-F279 HydrophobicContact CG2-CB 4Å; V252-F279 HydrophobicContact CG2-CD1 3.45Å; V252-F279 VanDerWaalsContact CG2-CD1 3.45Å; V252-F279 HydrophobicContact CG2-CD2 3.7Å; V252-F279 HydrophobicContact CG2-CE1 3.73Å; V252-F279 HydrophobicContact CG2-CE2 3.96Å; V252-F279 HydrophobicContact CG2-CG 3.42Å; V252-F279 VanDerWaalsContact CG2-CG 3.42Å; V252-F279 HydrophobicContact CG2-CZ 3.96Å; V252-M290 HydrophobicContact CG2-CE 3.82Å; V252-M290 HydrophobicContact CG2-SD 3.67Å
253D94.8Very high93.6Very high101 Ų10152.9 Ų52.954%0.5429%0.286SS..Hα-helixtrans-59.5-41.5178.2178.770.7000113T251 S257T251-D253 PolarHBondContact O-N 3.17Å; D253-S257 VanDerWaalsContact O-CB 3.23Å; D253-S257 WeakPolarHBondContact O-CB 3.46Å; D253-S257 PolarHBondContact O-N 3.4Å; D253-S257 PolarHBondContact O-OG 2.86Å
254S95.3Very high93.5Very high38 Ų3855.7 Ų55.727%0.26630%0.298SS..Hα-helixtrans-64.9-41.6176.3-174.50000111.5T251 V252 S257 E258T251-S254 PolarHBondContact O-N 3.17Å; T251-S254 WeakPolarHBondContact OG1-CB 3.48Å; T251-S254 PolarHBondContact OG1-N 3.46Å; T251-S254 VanDerWaalsContact OG1-N 3.09Å; V252-S254 VanDerWaalsContact C-N 3.35Å; V252-S254 PolarHBondContact O-N 2.77Å; S254-S257 PolarHBondContact O-N 2.85Å; S254-E258 WeakPolarHBondContact O-CG 3.43Å; S254-E258 PolarHBondContact O-N 3.16Å; S254-E258 PolarHBondContact OG-OE1 3.19Å
255L93.9Very high93.3Very high27 Ų2759.3 Ų59.314%0.14133%0.329CS..Hα-helixtrans-69.6-41.8179.4-64.9168.9000111.8N248 K250 T251 V252 S257 E258 S259 C272 F279N248-L255 HydrophobicContact CB-CD1 3.85Å; N248-L255 WeakPolarHBondContact OD1-CD1 3.25Å; K250-L255 HydrophobicContact CB-CD2 4.13Å; K250-L255 HydrophobicContact CB-CG 4.09Å; K250-L255 HydrophobicContact CD-CD2 4.04Å; T251-L255 WeakPolarHBondContact O-CG 3.27Å; T251-L255 PolarHBondContact O-N 2.74Å; T251-L255 VanDerWaalsContact O-N 3.12Å; V252-L255 PolarHBondContact O-N 2.67Å; L255-S257 VanDerWaalsContact C-N 3.31Å; L255-S257 PolarHBondContact O-N 3.18Å; L255-E258 PolarHBondContact O-N 3.12Å; L255-S259 WeakPolarHBondContact O-CB 3.33Å; L255-S259 PolarHBondContact O-N 3.43Å; L255-C272 WeakPolarHBondContact CB-SG 3.48Å; L255-F279 HydrophobicContact CD1-CD1 3.88Å; L255-F279 HydrophobicContact CD1-CE1 3.72Å
256I93.8Very high93Very high64 Ų6461.1 Ų61.133%0.32833%0.332SS..Hα-helixtrans-59.8-45.4172-68.1172.1000109.4V252 E258 S259 M260 V267 C271V252-I256 HydrophobicContact CG1-CD1 3.74Å; V252-I256 HydrophobicContact CG1-CG1 4.21Å; V252-I256 VanDerWaalsContact O-CG1 3.32Å; V252-I256 WeakPolarHBondContact O-CG1 3.26Å; V252-I256 PolarHBondContact O-N 2.63Å; I256-E258 VanDerWaalsContact C-N 3.3Å; I256-E258 PolarHBondContact O-N 2.85Å; I256-S259 CarbonylContact O-C 3.6Å; I256-S259 WeakPolarHBondContact O-CB 3.32Å; I256-S259 PolarHBondContact O-N 3.09Å; I256-M260 HydrophobicContact CG2-CE 4.18Å; I256-M260 HydrophobicContact CG2-CG 4.29Å; I256-M260 HydrophobicContact CG2-SD 4.41Å; I256-M260 WeakPolarHBondContact O-CB 3.43Å; I256-M260 VanDerWaalsContact O-CG 3.3Å; I256-M260 WeakPolarHBondContact O-CG 3.5Å; I256-M260 PolarHBondContact O-N 2.72Å; I256-V267 HydrophobicContact CG2-CG1 4.01Å; I256-C271 HydrophobicContact CG1-CB 4.37Å; I256-C271 VanDerWaalsContact CG1-SG 3.54Å
257S94.3Very high92.3Very high35 Ų3562.6 Ų62.625%0.24534%0.341CS..Hα-helixtrans-61.9-35.8178.1-68.30000113.6D253 S254 L255 K261D253-S257 VanDerWaalsContact O-CB 3.23Å; D253-S257 WeakPolarHBondContact O-CB 3.46Å; D253-S257 PolarHBondContact O-N 3.4Å; D253-S257 PolarHBondContact O-OG 2.86Å; S254-S257 PolarHBondContact O-N 2.85Å; L255-S257 VanDerWaalsContact C-N 3.31Å; L255-S257 PolarHBondContact O-N 3.18Å; S257-K261 WeakPolarHBondContact O-CG 3.19Å; S257-K261 PolarHBondContact O-N 2.83Å
258E92.6Very high91.4Very high59 Ų5968.3 Ų68.328%0.27638%0.376SS..Hα-helixtrans-69.3-46.1172.7-75.6167.1-161.100111.5K250 S254 L255 I256 M260 K261 Q262K250-E258 IonicContact NZ-OE1 3.14Å; K250-E258 PolarHBondContact NZ-OE1 3.2Å; K250-E258 IonicContact NZ-OE2 2.63Å; K250-E258 PolarHBondContact NZ-OE2 3.35Å; S254-E258 WeakPolarHBondContact O-CG 3.43Å; S254-E258 PolarHBondContact O-N 3.16Å; S254-E258 PolarHBondContact OG-OE1 3.19Å; L255-E258 PolarHBondContact O-N 3.12Å; I256-E258 VanDerWaalsContact C-N 3.3Å; I256-E258 PolarHBondContact O-N 2.85Å; E258-M260 VanDerWaalsContact C-N 3.32Å; E258-M260 PolarHBondContact O-N 3.32Å; E258-K261 WeakPolarHBondContact O-CB 3.23Å; E258-K261 PolarHBondContact O-N 2.93Å; E258-Q262 WeakPolarHBondContact O-CG 3.44Å; E258-Q262 PolarHBondContact O-N 3.37Å
259S91.4Very high90.5Very high4 Ų473.7 Ų73.73%0.02840%0.4CS..Hα-helixtrans-59.4-41175.2-179.30000111.8L255 I256 K261 Q262 N263 V267 G270 C271L255-S259 WeakPolarHBondContact O-CB 3.33Å; L255-S259 PolarHBondContact O-N 3.43Å; I256-S259 CarbonylContact O-C 3.6Å; I256-S259 WeakPolarHBondContact O-CB 3.32Å; I256-S259 PolarHBondContact O-N 3.09Å; S259-K261 PolarHBondContact O-N 2.87Å; S259-Q262 PolarHBondContact O-N 2.86Å; S259-N263 CarbonylContact O-C 3.34Å; S259-N263 WeakPolarHBondContact O-CA 3.33Å; S259-N263 PolarHBondContact O-N 3.48Å; S259-V267 WeakPolarHBondContact OG-CA 3.08Å; S259-V267 PolarHBondContact OG-O 3.4Å; S259-G270 VanDerWaalsContact OG-C 3.22Å; S259-C271 PolarHBondContact OG-N 3.47Å; S259-C271 VanDerWaalsContact OG-N 3.16Å
260M92.6Very high89.6Confident92 Ų9273.5 Ų73.545%0.45340%0.404SS..Hα-helixtrans-59.7-34.4175.3-75.1-168.4-66.400112.5I256 E258 P264 V267I256-M260 HydrophobicContact CG2-CE 4.18Å; I256-M260 HydrophobicContact CG2-CG 4.29Å; I256-M260 HydrophobicContact CG2-SD 4.41Å; I256-M260 WeakPolarHBondContact O-CB 3.43Å; I256-M260 VanDerWaalsContact O-CG 3.3Å; I256-M260 WeakPolarHBondContact O-CG 3.5Å; I256-M260 PolarHBondContact O-N 2.72Å; E258-M260 VanDerWaalsContact C-N 3.32Å; E258-M260 PolarHBondContact O-N 3.32Å; M260-P264 WeakPolarHBondContact O-CA 3.34Å; M260-P264 WeakPolarHBondContact O-CB 3.46Å; M260-V267 HydrophobicContact CB-CG2 4.43Å; M260-V267 HydrophobicContact CG-CB 4.31Å; M260-V267 HydrophobicContact CG-CG1 3.49Å; M260-V267 VanDerWaalsContact CG-CG1 3.49Å; M260-V267 HydrophobicContact CG-CG2 3.8Å
261K91.9Very high88.9Confident171 Ų17170.5 Ų70.574%0.74339%0.393SS*.Hα-helixtrans-78.5-39.4178.7-69.7170.4-174.8173.80111.9S257 E258 S259S257-K261 WeakPolarHBondContact O-CG 3.19Å; S257-K261 PolarHBondContact O-N 2.83Å; E258-K261 WeakPolarHBondContact O-CB 3.23Å; E258-K261 PolarHBondContact O-N 2.93Å; S259-K261 PolarHBondContact O-N 2.87Å
262Q88.9Confident88.5Confident128 Ų12870.3 Ų70.360%0.59839%0.393SS*.Hα-helixtrans-85.3-40.4-174.1-67.6175.6100112.6E258 S259E258-Q262 WeakPolarHBondContact O-CG 3.44Å; E258-Q262 PolarHBondContact O-N 3.37Å; S259-Q262 PolarHBondContact O-N 2.86Å
263N87.3Confident88.5Confident74 Ų7469.3 Ų69.340%0.39639%0.387SS..  trans-131.960.3-173.4-61-56.3000111.3S259 S265 N266 V267S259-N263 CarbonylContact O-C 3.34Å; S259-N263 WeakPolarHBondContact O-CA 3.33Å; S259-N263 PolarHBondContact O-N 3.48Å; N263-S265 PolarHBondContact O-N 3.45Å; N263-S265 VanDerWaalsContact O-N 3.08Å; N263-N266 CarbonylContact O-C 3.3Å; N263-N266 VanDerWaalsContact O-C 3.3Å; N263-N266 PolarHBondContact O-N 3.33Å; N263-V267 PolarHBondContact O-N 2.78Å
264P87.1Confident88.3Confident97 Ų9771.7 Ų71.763%0.6340%0.4SS*.THydrogen-bonded Turntrans-59.4-27.1-171.822.9-34.1000114.3M260M260-P264 WeakPolarHBondContact O-CA 3.34Å; M260-P264 WeakPolarHBondContact O-CB 3.46Å
265S88.2Confident88.2Confident125 Ų12572.9 Ų72.987%0.87440%0.403SS*.THydrogen-bonded Turntrans-85-10178.356.60000114.2N263N263-S265 PolarHBondContact O-N 3.45Å; N263-S265 VanDerWaalsContact O-N 3.08Å
266N86.4Confident88.4Confident69 Ų6971.7 Ų71.737%0.36940%0.397SS..  trans-147.559.8-178.7-163.4-1.4000111.3N263 V268 E269 G270N263-N266 CarbonylContact O-C 3.3Å; N263-N266 VanDerWaalsContact O-C 3.3Å; N263-N266 PolarHBondContact O-N 3.33Å; N266-V268 VanDerWaalsContact C-N 3.33Å; N266-V268 PolarHBondContact O-N 2.87Å; N266-E269 VanDerWaalsContact CG-CB 3.5Å; N266-E269 WeakPolarHBondContact ND2-CB 3.41Å; N266-E269 PolarHBondContact ND2-OE2 3.06Å; N266-E269 WeakPolarHBondContact OD1-CB 3.34Å; N266-E269 PolarHBondContact OD1-N 2.87Å; N266-G270 WeakPolarHBondContact O-CA 3.5Å; N266-G270 PolarHBondContact O-N 3.37Å
267V83.5Confident88.6Confident36 Ų3668.6 Ų68.622%0.21838%0.381CS..Hα-helixtrans-64.8-39.5-174.3-177.10000111.8I256 S259 M260 N263 C271I256-V267 HydrophobicContact CG2-CG1 4.01Å; S259-V267 WeakPolarHBondContact OG-CA 3.08Å; S259-V267 PolarHBondContact OG-O 3.4Å; M260-V267 HydrophobicContact CB-CG2 4.43Å; M260-V267 HydrophobicContact CG-CB 4.31Å; M260-V267 HydrophobicContact CG-CG1 3.49Å; M260-V267 VanDerWaalsContact CG-CG1 3.49Å; M260-V267 HydrophobicContact CG-CG2 3.8Å; N263-V267 PolarHBondContact O-N 2.78Å; V267-C271 WeakPolarHBondContact O-CB 3.43Å; V267-C271 PolarHBondContact O-N 2.86Å
268V78.4Confident88.8Confident124 Ų12467 Ų6775%0.75237%0.37SS*.Hα-helixtrans-68.1-52.5-175.8178.60000110.2N266 G270 C271N266-V268 VanDerWaalsContact C-N 3.33Å; N266-V268 PolarHBondContact O-N 2.87Å; V268-G270 VanDerWaalsContact C-N 3.3Å; V268-G270 PolarHBondContact O-N 3.28Å; V268-C271 PolarHBondContact O-N 3.21Å
269E78.8Confident89Confident131 Ų13164.8 Ų64.861%0.61236%0.359SS*.Hα-helixtrans-73.1-28.4177.6-159.5179.1169.500111.5K244 N266K244-E269 WeakPolarHBondContact CE-O 3.44Å; K244-E269 PolarHBondContact NZ-O 2.96Å; N266-E269 VanDerWaalsContact CG-CB 3.5Å; N266-E269 WeakPolarHBondContact ND2-CB 3.41Å; N266-E269 PolarHBondContact ND2-OE2 3.06Å; N266-E269 WeakPolarHBondContact OD1-CB 3.34Å; N266-E269 PolarHBondContact OD1-N 2.87Å
270G76.3Confident89.3Confident32 Ų3264.7 Ų64.733%0.3336%0.359SS..Hα-helixtrans-72.7-27.8177.100000113.7S259 N266 V268S259-G270 VanDerWaalsContact OG-C 3.22Å; N266-G270 WeakPolarHBondContact O-CA 3.5Å; N266-G270 PolarHBondContact O-N 3.37Å; V268-G270 VanDerWaalsContact C-N 3.3Å; V268-G270 PolarHBondContact O-N 3.28Å
271C80.9Confident89.4Confident18 Ų1862.4 Ų62.412%0.12236%0.358CS..SBendtrans-94.9124.6174163.30000109.5I256 S259 V267 V268I256-C271 HydrophobicContact CG1-CB 4.37Å; I256-C271 VanDerWaalsContact CG1-SG 3.54Å; S259-C271 PolarHBondContact OG-N 3.47Å; S259-C271 VanDerWaalsContact OG-N 3.16Å; V267-C271 WeakPolarHBondContact O-CB 3.43Å; V267-C271 PolarHBondContact O-N 2.86Å; V268-C271 PolarHBondContact O-N 3.21Å
272C88.8Confident89.7Confident22 Ų2254.4 Ų54.415%0.14932%0.324CS..  trans70150.9146.8-40.90000113.5K244 L255K244-C272 VanDerWaalsContact CD-O 3.23Å; K244-C272 WeakPolarHBondContact CD-O 3.44Å; K244-C272 PolarHBondContact NZ-O 3.14Å; L255-C272 WeakPolarHBondContact CB-SG 3.48Å
273S93.1Very high90.1Very high9 Ų950.3 Ų50.36%0.06331%0.309CS..  trans-78.3139.8174.8-169.70000109.1D240 L246 L275 A276D240-S273 WeakPolarHBondContact CB-OG 3.47Å; D240-S273 VanDerWaalsContact OD2-CB 3.27Å; D240-S273 WeakPolarHBondContact OD2-CB 3.3Å; D240-S273 PolarHBondContact OD2-OG 2.77Å; L246-S273 VanDerWaalsContact CD2-CB 3.48Å; L246-S273 WeakPolarHBondContact CD2-OG 3.37Å; S273-L275 PolarHBondContact O-N 3.04Å; S273-L275 PolarHBondContact OG-N 2.77Å; S273-A276 VanDerWaalsContact O-CB 3.3Å; S273-A276 WeakPolarHBondContact O-CB 3.5Å; S273-A276 PolarHBondContact O-N 2.83Å; S273-A276 VanDerWaalsContact O-N 3.09Å
274D91.6Very high90.6Very high150 Ų15047.4 Ų47.480%0.80230%0.295SS*.THydrogen-bonded Turntrans-63.6-19.9169.3-61.5-38.5000111.4
275L93.4Very high91.1Very high63 Ų6348.9 Ų48.933%0.3330%0.298SS..THydrogen-bonded Turntrans-104.923.9176.3-61.7175.5000112.4Y157 L246 S273 V277Y157-L275 HydrophobicContact CD1-CD1 4.06Å; Y157-L275 HydrophobicContact CE1-CD1 3.66Å; L246-L275 HydrophobicContact CD2-CB 4.47Å; S273-L275 PolarHBondContact O-N 3.04Å; S273-L275 PolarHBondContact OG-N 2.77Å; L275-V277 PolarHBondContact O-N 2.87Å
276A96.6Very high91.6Very high2 Ų246.1 Ų46.12%0.01727%0.271CS..  trans-53.6136.1176.200000110.8I151 N154 S273 F279I151-A276 VanDerWaalsContact CD1-O 3.26Å; I151-A276 WeakPolarHBondContact CD1-O 3.37Å; N154-A276 PolarHBondContact ND2-O 2.92Å; S273-A276 VanDerWaalsContact O-CB 3.3Å; S273-A276 WeakPolarHBondContact O-CB 3.5Å; S273-A276 PolarHBondContact O-N 2.83Å; S273-A276 VanDerWaalsContact O-N 3.09Å; A276-F279 HydrophobicContact CB-CE1 4.45Å; A276-F279 HydrophobicContact CB-CE2 3.85Å; A276-F279 HydrophobicContact CB-CZ 3.6Å
277V98.1Very high92.1Very high0 Ų042.8 Ų42.80%025%0.254CS..  trans-91.2-40.9-179.3178.20000110.7A150 I151 N154 L155 L158 L246 F247 L275A150-V277 CarbonylContact C-O 3.47Å; A150-V277 WeakPolarHBondContact CA-O 3.23Å; I151-V277 PolarHBondContact N-O 3.08Å; N154-V277 HydrophobicContact CB-CG2 4.15Å; L155-V277 HydrophobicContact CB-CG1 3.7Å; L155-V277 HydrophobicContact CD1-CG1 4.39Å; L158-V277 HydrophobicContact CD2-CG2 4.42Å; L246-V277 HydrophobicContact CB-CG2 4.05Å; L246-V277 PolarHBondContact O-N 2.95Å; F247-V277 HydrophobicContact CD1-CB 4.37Å; F247-V277 HydrophobicContact CD1-CG1 4.31Å; F247-V277 HydrophobicContact CE1-CB 4.03Å; F247-V277 HydrophobicContact CE1-CG1 3.65Å; F247-V277 HydrophobicContact CE2-CB 4.34Å; F247-V277 HydrophobicContact CE2-CG2 4.28Å; F247-V277 HydrophobicContact CZ-CB 4Å; F247-V277 HydrophobicContact CZ-CG1 3.83Å; F247-V277 HydrophobicContact CZ-CG2 4.14Å; L275-V277 PolarHBondContact O-N 2.87Å
278T98.3Very high92.8Very high0 Ų044.7 Ų44.70%026%0.26CS..EExtended strand (participates in β ladder)trans-137.2151.5-176.166.80000113.4F142 T148 F149 A150 S186 L246 F247 N248F142-T278 HydrophobicContact CE2-CG2 4.01Å; F142-T278 HydrophobicContact CZ-CG2 3.62Å; T148-T278 HydrophobicContact CG2-CG2 4.25Å; F149-T278 WeakPolarHBondContact O-CA 3.23Å; A150-T278 HydrophobicContact CB-CG2 4.23Å; S186-T278 WeakPolarHBondContact O-CB 3.4Å; S186-T278 WeakPolarHBondContact O-CG2 3.42Å; S186-T278 PolarHBondContact O-OG1 3.25Å; L246-T278 PolarHBondContact O-N 2.73Å; F247-T278 VanDerWaalsContact CA-OG1 3.31Å; F247-T278 WeakPolarHBondContact CA-OG1 3.36Å; F247-T278 HydrophobicContact CD1-CG2 3.84Å; F247-T278 HydrophobicContact CE1-CG2 4.21Å; N248-T278 WeakPolarHBondContact CB-O 3.34Å; N248-T278 PolarHBondContact N-O 3.26Å; N248-T278 VanDerWaalsContact N-O 3.13Å; N248-T278 PolarHBondContact N-OG1 3.39Å; N248-T278 VanDerWaalsContact N-OG1 3.12Å; N248-T278 PolarHBondContact ND2-O 3.26Å
279F97.9Very high93.7Very high13 Ų1343.5 Ų43.56%0.05725%0.253CS..EExtended strand (participates in β ladder)trans-132.5139.7159.8-60.5-82.2000109T148 F149 N248 V252 L255 A276 L282 M290T148-F279 WeakPolarHBondContact CA-O 3.4Å; F149-F279 PolarHBondContact N-O 3.46Å; F149-F279 PolarHBondContact O-N 3.29Å; N248-F279 HydrophobicContact CB-CD1 3.84Å; N248-F279 HydrophobicContact CB-CE1 4.29Å; N248-F279 WeakPolarHBondContact ND2-CE1 3.4Å; V252-F279 HydrophobicContact CB-CD1 4.35Å; V252-F279 HydrophobicContact CB-CE1 4.47Å; V252-F279 HydrophobicContact CG2-CB 4Å; V252-F279 HydrophobicContact CG2-CD1 3.45Å; V252-F279 VanDerWaalsContact CG2-CD1 3.45Å; V252-F279 HydrophobicContact CG2-CD2 3.7Å; V252-F279 HydrophobicContact CG2-CE1 3.73Å; V252-F279 HydrophobicContact CG2-CE2 3.96Å; V252-F279 HydrophobicContact CG2-CG 3.42Å; V252-F279 VanDerWaalsContact CG2-CG 3.42Å; V252-F279 HydrophobicContact CG2-CZ 3.96Å; L255-F279 HydrophobicContact CD1-CD1 3.88Å; L255-F279 HydrophobicContact CD1-CE1 3.72Å; A276-F279 HydrophobicContact CB-CE1 4.45Å; A276-F279 HydrophobicContact CB-CE2 3.85Å; A276-F279 HydrophobicContact CB-CZ 3.6Å; F279-L282 HydrophobicContact CB-CD1 4.16Å; F279-M290 HydrophobicContact CD2-CE 3.68Å; F279-M290 HydrophobicContact CE2-CE 3.89Å
280S96.3Very high94.5Very high3 Ų338.8 Ų38.82%0.02123%0.231CC..  trans-127.6167.2-173.2-161.40000112.6T148 N185 N248 K250 T251 L282T148-S280 PolarHBondContact OG1-OG 3.14Å; N185-S280 WeakPolarHBondContact O-CB 3.5Å; N185-S280 PolarHBondContact O-OG 2.81Å; N248-S280 PolarHBondContact O-N 3.45Å; K250-S280 CarbonylContact C-O 3.09Å; K250-S280 PolarHBondContact O-N 3.48Å; T251-S280 WeakPolarHBondContact CA-O 3.27Å; T251-S280 WeakPolarHBondContact CG2-O 3.44Å; T251-S280 PolarHBondContact N-O 2.9Å; T251-S280 VanDerWaalsContact N-O 3.1Å; S280-L282 PolarHBondContact O-N 3.34Å
281G96.1Very high95.4Very high43 Ų4337.6 Ų37.644%0.44322%0.217SC..SBendtrans72.217.5-175.100000113.7N147 T251N147-G281 PolarHBondContact O-N 3.24Å; T251-G281 VanDerWaalsContact CG2-O 3.25Å; T251-G281 WeakPolarHBondContact CG2-O 3.44Å
282L97.6Very high96.1Very high4 Ų441.9 Ų41.92%0.02123%0.234CC..  trans-75.2142.7-179-61.4172.4000110.5Y84 N147 F149 T251 F279 S280 Q286 M287 M290Y84-L282 VanDerWaalsContact CE1-O 3.25Å; Y84-L282 WeakPolarHBondContact CE1-O 3.14Å; N147-L282 PolarHBondContact O-N 3.46Å; N147-L282 VanDerWaalsContact O-N 3.13Å; F149-L282 HydrophobicContact CB-CD1 3.39Å; F149-L282 HydrophobicContact CG-CD1 4.44Å; T251-L282 HydrophobicContact CG2-CD2 3.9Å; F279-L282 HydrophobicContact CB-CD1 4.16Å; S280-L282 PolarHBondContact O-N 3.34Å; L282-Q286 HydrophobicContact CB-CB 4.07Å; L282-Q286 HydrophobicContact CD2-CB 4.01Å; L282-M287 HydrophobicContact CB-CG 3.8Å; L282-M287 HydrophobicContact CD1-CG 4.1Å; L282-M290 HydrophobicContact CD1-CG 4.26Å
283S97.7Very high96.4Very high42 Ų4242.6 Ų42.629%0.29425%0.245SC..  trans-67.9158.8161.564.40000110.8N285 Q286 M287S283-N285 PolarHBondContact O-N 3.14Å; S283-Q286 WeakPolarHBondContact O-CB 3.26Å; S283-Q286 PolarHBondContact O-N 2.62Å; S283-Q286 WeakPolarHBondContact OG-CB 3.36Å; S283-Q286 VanDerWaalsContact OG-CG 3.26Å; S283-Q286 WeakPolarHBondContact OG-CG 3.42Å; S283-Q286 PolarHBondContact OG-N 2.83Å; S283-Q286 PolarHBondContact OG-OE1 3.41Å; S283-M287 PolarHBondContact O-N 2.89Å
284A97.4Very high96.4Very high12 Ų1245.1 Ų45.110%0.09926%0.26CS..Hα-helixtrans-53.9-41.8173.600000112.6V83 T87 Q286 M287 Q288V83-A284 HydrophobicContact CG1-CB 3.7Å; T87-A284 HydrophobicContact CG2-CB 4.29Å; T87-A284 WeakPolarHBondContact CG2-O 3.35Å; T87-A284 WeakPolarHBondContact OG1-CB 3.42Å; A284-Q286 VanDerWaalsContact C-N 3.35Å; A284-Q286 PolarHBondContact O-N 2.97Å; A284-M287 PolarHBondContact O-N 3.03Å; A284-Q288 PolarHBondContact O-N 3.02Å; A284-Q288 VanDerWaalsContact O-N 3.08Å
285N97.7Very high96.3Very high128 Ų12840.8 Ų40.868%0.68423%0.233SC*.Hα-helixtrans-63.2-40.6175.8-71.1-5000112.1S283 M287 Q288 V289S283-N285 PolarHBondContact O-N 3.14Å; N285-M287 VanDerWaalsContact C-N 3.35Å; N285-Q288 PolarHBondContact O-N 3.48Å; N285-V289 WeakPolarHBondContact O-CG2 3.28Å; N285-V289 PolarHBondContact O-N 3.49Å
286Q97.8Very high96.2Very high67 Ų6745.7 Ų45.731%0.31325%0.247SC..Hα-helixtrans-65.3-38.4176.7-76.3165.6-45.600111.8L282 S283 A284 Q288 V289 M290L282-Q286 HydrophobicContact CB-CB 4.07Å; L282-Q286 HydrophobicContact CD2-CB 4.01Å; S283-Q286 WeakPolarHBondContact O-CB 3.26Å; S283-Q286 PolarHBondContact O-N 2.62Å; S283-Q286 WeakPolarHBondContact OG-CB 3.36Å; S283-Q286 VanDerWaalsContact OG-CG 3.26Å; S283-Q286 WeakPolarHBondContact OG-CG 3.42Å; S283-Q286 PolarHBondContact OG-N 2.83Å; S283-Q286 PolarHBondContact OG-OE1 3.41Å; A284-Q286 VanDerWaalsContact C-N 3.35Å; A284-Q286 PolarHBondContact O-N 2.97Å; Q286-Q288 VanDerWaalsContact C-N 3.32Å; Q286-Q288 PolarHBondContact O-N 2.9Å; Q286-V289 PolarHBondContact O-N 2.91Å; Q286-M290 VanDerWaalsContact O-CG 3.29Å; Q286-M290 WeakPolarHBondContact O-CG 3.39Å; Q286-M290 PolarHBondContact O-N 2.91Å
287M97.9Very high96.1Very high0 Ų050.5 Ų50.50%027%0.272CS..Hα-helixtrans-62.1-39.8174.1-65.2173.166.300111.9T87 A88 T148 F149 L282 S283 A284 N285 M290 M291T87-M287 HydrophobicContact CG2-CB 3.7Å; T87-M287 HydrophobicContact CG2-CE 4.2Å; T87-M287 HydrophobicContact CG2-SD 4.14Å; A88-M287 HydrophobicContact CB-CE 3.97Å; T148-M287 WeakPolarHBondContact O-CE 3.35Å; F149-M287 HydrophobicContact CB-CG 4.42Å; F149-M287 HydrophobicContact CD2-CB 4.17Å; F149-M287 WeakPolarHBondContact CE2-O 3.4Å; L282-M287 HydrophobicContact CB-CG 3.8Å; L282-M287 HydrophobicContact CD1-CG 4.1Å; S283-M287 PolarHBondContact O-N 2.89Å; A284-M287 PolarHBondContact O-N 3.03Å; N285-M287 VanDerWaalsContact C-N 3.35Å; M287-M290 WeakPolarHBondContact O-CB 3.37Å; M287-M290 PolarHBondContact O-N 3.35Å; M287-M291 PolarHBondContact O-N 2.94Å
288Q97.2Very high95.7Very high75 Ų7560.7 Ų60.735%0.3531%0.31SS..Hα-helixtrans-65.9-39.3174.3-71.4-70.6-4.200112.2T87 D90 A284 N285 Q286 M290 M291 F292T87-Q288 HydrophobicContact CG2-CG 4.03Å; D90-Q288 PolarHBondContact OD2-NE2 3.06Å; A284-Q288 PolarHBondContact O-N 3.02Å; A284-Q288 VanDerWaalsContact O-N 3.08Å; N285-Q288 PolarHBondContact O-N 3.48Å; Q286-Q288 VanDerWaalsContact C-N 3.32Å; Q286-Q288 PolarHBondContact O-N 2.9Å; Q288-M290 VanDerWaalsContact C-N 3.34Å; Q288-M291 PolarHBondContact O-N 3.36Å; Q288-F292 PolarHBondContact O-N 3.45Å
289V97.4Very high95.4Very high100 Ų10064.6 Ų64.661%0.60634%0.335SS*.Hα-helixtrans-63.5-40.9173.2170.80000111.1N285 Q286 F292 G293N285-V289 WeakPolarHBondContact O-CG2 3.28Å; N285-V289 PolarHBondContact O-N 3.49Å; Q286-V289 PolarHBondContact O-N 2.91Å; V289-F292 PolarHBondContact O-N 3.35Å; V289-G293 PolarHBondContact O-N 3.4Å
290M96.9Very high95.1Very high31 Ų3175.1 Ų75.115%0.15338%0.376CS..Hα-helixtrans-62.6-45.5173.9-70.5-63.6-68.800111.2F149 V252 F279 L282 Q286 M287 Q288 F292 G293 V294F149-M290 HydrophobicContact CD1-CB 3.86Å; F149-M290 HydrophobicContact CD1-CE 4.17Å; F149-M290 HydrophobicContact CD1-CG 4.44Å; F149-M290 HydrophobicContact CD2-CB 3.77Å; F149-M290 HydrophobicContact CE1-CB 3.81Å; F149-M290 HydrophobicContact CE1-CE 4.4Å; F149-M290 HydrophobicContact CE2-CB 3.7Å; F149-M290 HydrophobicContact CG-CB 3.84Å; F149-M290 HydrophobicContact CG-CG 4.38Å; F149-M290 HydrophobicContact CZ-CB 3.72Å; V252-M290 HydrophobicContact CG2-CE 3.82Å; V252-M290 HydrophobicContact CG2-SD 3.67Å; F279-M290 HydrophobicContact CD2-CE 3.68Å; F279-M290 HydrophobicContact CE2-CE 3.89Å; L282-M290 HydrophobicContact CD1-CG 4.26Å; Q286-M290 VanDerWaalsContact O-CG 3.29Å; Q286-M290 WeakPolarHBondContact O-CG 3.39Å; Q286-M290 PolarHBondContact O-N 2.91Å; M287-M290 WeakPolarHBondContact O-CB 3.37Å; M287-M290 PolarHBondContact O-N 3.35Å; Q288-M290 VanDerWaalsContact C-N 3.34Å; M290-F292 VanDerWaalsContact C-N 3.32Å; M290-F292 PolarHBondContact O-N 2.93Å; M290-G293 PolarHBondContact O-N 3.41Å; M290-V294 HydrophobicContact CE-CG2 4.24Å; M290-V294 WeakPolarHBondContact O-CB 3.4Å; M290-V294 VanDerWaalsContact O-CG2 3.32Å; M290-V294 WeakPolarHBondContact O-CG2 3.5Å; M290-V294 PolarHBondContact O-N 2.94Å
291M95.6Very high94.7Very high7 Ų778.5 Ų78.53%0.03441%0.412CS..Hα-helixtrans-57.2-46.8175.8-172.166.5-165.700111.4T91 F149 M287 Q288 Y295T91-M291 HydrophobicContact CG2-CB 3.84Å; T91-M291 HydrophobicContact CG2-CG 3.99Å; F149-M291 HydrophobicContact CE2-CB 4.05Å; F149-M291 HydrophobicContact CZ-CB 4.42Å; M287-M291 PolarHBondContact O-N 2.94Å; Q288-M291 PolarHBondContact O-N 3.36Å; M291-Y295 HydrophobicContact CE-CD2 3.92Å; M291-Y295 HydrophobicContact CE-CG 4.17Å; M291-Y295 PolarHBondContact O-N 2.9Å; M291-Y295 VanDerWaalsContact O-N 3.09Å; M291-Y295 HydrophobicContact SD-CD2 3.49Å; M291-Y295 WeakPolarHBondContact SD-CD2 3.37Å; M291-Y295 HydrophobicContact SD-CE2 4.07Å; M291-Y295 HydrophobicContact SD-CG 4.32Å
292F95.3Very high94.1Very high109 Ų10983.3 Ų83.348%0.47842%0.423SS..Iπ-helixtrans-62.5-47.6175.9177.6-106.4000111.7Q288 V289 M290 R296 L297Q288-F292 PolarHBondContact O-N 3.45Å; V289-F292 PolarHBondContact O-N 3.35Å; M290-F292 VanDerWaalsContact C-N 3.32Å; M290-F292 PolarHBondContact O-N 2.93Å; F292-R296 HydrophobicContact CD2-CB 3.99Å; F292-R296 HydrophobicContact CE2-CB 4.49Å; F292-R296 CarbonylContact O-C 3.53Å; F292-R296 PolarHBondContact O-N 3.44Å; F292-L297 HydrophobicContact CD1-CB 4.27Å; F292-L297 HydrophobicContact CE1-CB 3.98Å; F292-L297 HydrophobicContact CE1-CD1 4Å; F292-L297 HydrophobicContact CE1-CD2 4.05Å; F292-L297 HydrophobicContact CE1-CG 4.24Å; F292-L297 HydrophobicContact CZ-CB 4.15Å; F292-L297 HydrophobicContact CZ-CD1 3.9Å; F292-L297 HydrophobicContact CZ-CG 4.49Å; F292-L297 VanDerWaalsContact O-CB 3.24Å; F292-L297 WeakPolarHBondContact O-CB 3.45Å; F292-L297 PolarHBondContact O-N 3Å
293G94.4Very high93.2Very high37 Ų3789.3 Ų89.338%0.38146%0.455SS..Iπ-helixtrans-69.1-36.1-175.400000114.5V289 M290V289-G293 PolarHBondContact O-N 3.4Å; M290-G293 PolarHBondContact O-N 3.41Å
294V92.8Very high92.3Very high61 Ų6195.5 Ų95.537%0.3748%0.477SS..Iπ-helixtrans-87.3-45.8-175.9176.60000111.7F149 I151 M290F149-V294 HydrophobicContact CE1-CG2 4.41Å; I151-V294 HydrophobicContact CG1-CG1 4.29Å; M290-V294 HydrophobicContact CE-CG2 4.24Å; M290-V294 WeakPolarHBondContact O-CB 3.4Å; M290-V294 VanDerWaalsContact O-CG2 3.32Å; M290-V294 WeakPolarHBondContact O-CG2 3.5Å; M290-V294 PolarHBondContact O-N 2.94Å
295Y91Very high91.3Very high59 Ų59102.4 Ų102.423%0.23151%0.507CS..Iπ-helixtrans-108.2-16.9-168.4-61.6-75.2000114.5H95 F149 I151 E153 M291H95-Y295 AromaticContact CE1-CD1 3.42Å; H95-Y295 VanDerWaalsContact CE1-CD1 3.42Å; H95-Y295 WeakPolarHBondContact CE1-CD1 3.01Å; H95-Y295 AromaticContact CE1-CE1 3.34Å; H95-Y295 WeakPolarHBondContact CE1-CE1 3.32Å; H95-Y295 AromaticContact CE1-CG 3.91Å; H95-Y295 AromaticContact CE1-CZ 3.75Å; H95-Y295 AromaticContact ND1-CE1 3.57Å; H95-Y295 AromaticContact ND1-CZ 3.88Å; H95-Y295 AromaticContact NE2-CD1 3.99Å; H95-Y295 AromaticContact NE2-CE1 3.96Å; H95-Y295 AromaticContact NE2-CZ 3.95Å; F149-Y295 HydrophobicContact CE1-CE2 4.25Å; F149-Y295 HydrophobicContact CZ-CD2 4.31Å; F149-Y295 AromaticContact CZ-CE2 3.86Å; F149-Y295 HydrophobicContact CZ-CE2 3.86Å; I151-Y295 WeakPolarHBondContact CA-OH 3.27Å; E153-Y295 PolarHBondContact OE2-OH 2.94Å; M291-Y295 HydrophobicContact CE-CD2 3.92Å; M291-Y295 HydrophobicContact CE-CG 4.17Å; M291-Y295 PolarHBondContact O-N 2.9Å; M291-Y295 VanDerWaalsContact O-N 3.09Å; M291-Y295 HydrophobicContact SD-CD2 3.49Å; M291-Y295 WeakPolarHBondContact SD-CD2 3.37Å; M291-Y295 HydrophobicContact SD-CE2 4.07Å; M291-Y295 HydrophobicContact SD-CG 4.32Å
296R90.8Very high90.5Very high166 Ų166101.8 Ų101.863%0.62650%0.503SS*.Iπ-helixtrans-117.6-36.6-173.4-57.9-171.862-175.31.3114.2F292 R298F292-R296 HydrophobicContact CD2-CB 3.99Å; F292-R296 HydrophobicContact CE2-CB 4.49Å; F292-R296 CarbonylContact O-C 3.53Å; F292-R296 PolarHBondContact O-N 3.44Å; R296-R298 PolarHBondContact O-N 3.46Å
297L93.1Very high89.5Confident103 Ų103102.2 Ų102.254%0.53951%0.507SS..  trans-81.7116.5-178.4-17864.4000109F292F292-L297 HydrophobicContact CD1-CB 4.27Å; F292-L297 HydrophobicContact CE1-CB 3.98Å; F292-L297 HydrophobicContact CE1-CD1 4Å; F292-L297 HydrophobicContact CE1-CD2 4.05Å; F292-L297 HydrophobicContact CE1-CG 4.24Å; F292-L297 HydrophobicContact CZ-CB 4.15Å; F292-L297 HydrophobicContact CZ-CD1 3.9Å; F292-L297 HydrophobicContact CZ-CG 4.49Å; F292-L297 VanDerWaalsContact O-CB 3.24Å; F292-L297 WeakPolarHBondContact O-CB 3.45Å; F292-L297 PolarHBondContact O-N 3Å
298R90.6Very high88.7Confident214 Ų214103.5 Ų103.581%0.80851%0.514SS*.  trans-134.9138.4172.963.2-179.2-178.8175.5-1.6111.3R296R296-R298 PolarHBondContact O-N 3.46Å
299P91.5Very high88Confident82 Ų82103.7 Ų103.753%0.53252%0.52SS..  trans-72.1130.3167.476.8000109.3G301 H302P299-G301 PolarHBondContact O-N 2.88Å; P299-H302 HydrophobicContact CB-CB 4.08Å; P299-H302 HydrophobicContact CG-CB 3.85Å; P299-H302 PolarHBondContact O-N 3.42Å
300Y91.1Very high87.3Confident234 Ų23499.9 Ų99.992%0.91850%0.496SS*.THydrogen-bonded Turntrans-60.4126.5177.6-178.4-92.1000110.9
301G89Confident86.5Confident75 Ų75105.5 Ų105.577%0.77352%0.519SS*.THydrogen-bonded Turntrans85.21.9178.700000115.5P299P299-G301 PolarHBondContact O-N 2.88Å
302H83.9Confident85.5Confident144 Ų144107.3 Ų107.367%0.66753%0.532SS*.  trans-104.4129.7169.5-72.8-98.9000109.3P299P299-H302 HydrophobicContact CB-CB 4.08Å; P299-H302 HydrophobicContact CG-CB 3.85Å; P299-H302 PolarHBondContact O-N 3.42Å
303D77.9Confident84.3Confident129 Ų129104.4 Ų104.469%0.6952%0.524SS*.  trans-138.5150.7178.6-159.58.5000110.5
304F79.3Confident83.2Confident172 Ų172113.2 Ų113.275%0.75455%0.552SS**  trans-89.6121.4173.9-64-75.5000108.6D306F304-D306 VanDerWaalsContact C-N 3.26Å; F304-D306 PolarHBondContact O-N 3.04Å; F304-D306 VanDerWaalsContact O-N 3.14Å
305H75.8Confident82.1Confident158 Ų158114.3 Ų114.373%0.73158%0.575SS**  trans-90.463179.5-66.2-47.1000111.2
306D81.1Confident81.1Confident115 Ų115113.4 Ų113.462%0.61558%0.578SS**  trans-75.7146.8175.7-62.5-41.5000110.8F304 L308F304-D306 VanDerWaalsContact C-N 3.26Å; F304-D306 PolarHBondContact O-N 3.04Å; F304-D306 VanDerWaalsContact O-N 3.14Å; D306-L308 PolarHBondContact O-N 3.39Å
307L76.7Confident80Confident75 Ų75111.9 Ų111.939%0.39358%0.582SS.*SBendtrans-71.2-22179.7-71.1174.4000112.7K51 L54 Q55K51-L307 HydrophobicContact CB-CD1 4.45Å; K51-L307 HydrophobicContact CG-CD1 3.55Å; K51-L307 HydrophobicContact CG-CG 4.13Å; L54-L307 HydrophobicContact CB-CD1 3.68Å; L54-L307 HydrophobicContact CD1-CD1 4.4Å; Q55-L307 HydrophobicContact CG-CD1 3.92Å; Q55-L307 HydrophobicContact CG-CD2 4.29Å
308L81.4Confident78.9Confident28 Ų28108 Ų10815%0.14756%0.562CS.*  trans-138.6145.8-174.8-79174.2000109.4L62 L160 D306L62-L308 HydrophobicContact CB-CD2 4.03Å; L62-L308 HydrophobicContact CD2-CD1 4.02Å; L160-L308 HydrophobicContact CD1-CD1 4.47Å; L160-L308 HydrophobicContact CD2-CD1 3.37Å; D306-L308 PolarHBondContact O-N 3.39Å
309T83Confident77.3Confident78 Ų78104.7 Ų104.748%0.47956%0.56SS.*  trans-124.2125.4171.6-49.70000108.3N66 F311N66-T309 PolarHBondContact ND2-O 2.94Å; N66-T309 VanDerWaalsContact ND2-O 3.09Å; T309-F311 HydrophobicContact CG2-CD1 4.18Å; T309-F311 HydrophobicContact CG2-CD2 4.38Å; T309-F311 HydrophobicContact CG2-CE1 3.69Å; T309-F311 HydrophobicContact CG2-CE2 3.92Å; T309-F311 HydrophobicContact CG2-CZ 3.55Å; T309-F311 PolarHBondContact O-N 2.94Å
310F83Confident76.6Confident20 Ų20105.9 Ų105.99%0.08856%0.562CS.*  trans-86108.2171.8-64.4-73.1000107.7N66 L69 E153 K156 L160N66-F310 WeakPolarHBondContact OD1-CD1 3.37Å; N66-F310 VanDerWaalsContact OD1-CE1 3.27Å; N66-F310 WeakPolarHBondContact OD1-CE1 3.29Å; L69-F310 HydrophobicContact CD2-CE1 3.72Å; L69-F310 HydrophobicContact CD2-CZ 4.19Å; E153-F310 HydrophobicContact CB-CB 4.25Å; E153-F310 HydrophobicContact CB-CD2 4.13Å; E153-F310 HydrophobicContact CG-CB 3.86Å; K156-F310 HydrophobicContact CB-CD1 3.8Å; K156-F310 HydrophobicContact CB-CD2 4.01Å; K156-F310 HydrophobicContact CB-CE1 3.73Å; K156-F310 HydrophobicContact CB-CE2 3.92Å; K156-F310 HydrophobicContact CB-CG 3.96Å; K156-F310 HydrophobicContact CB-CZ 3.78Å; K156-F310 HydrophobicContact CD-CB 4.14Å; K156-F310 HydrophobicContact CD-CD1 3.64Å; K156-F310 HydrophobicContact CD-CE1 4.28Å; K156-F310 HydrophobicContact CD-CG 3.92Å; K156-F310 HydrophobicContact CG-CD1 4.32Å; L160-F310 HydrophobicContact CD1-CE1 4.22Å; L160-F310 HydrophobicContact CD1-CZ 4.12Å
311F79.7Confident75.9Confident149 Ų14999.1 Ų99.165%0.65454%0.543SS*.PPolyproline II helixtrans-88148.1176.8-67.7-73.8000110.7T309T309-F311 HydrophobicContact CG2-CD1 4.18Å; T309-F311 HydrophobicContact CG2-CD2 4.38Å; T309-F311 HydrophobicContact CG2-CE1 3.69Å; T309-F311 HydrophobicContact CG2-CE2 3.92Å; T309-F311 HydrophobicContact CG2-CZ 3.55Å; T309-F311 PolarHBondContact O-N 2.94Å
312P73.8Confident75.1Confident45 Ų45100.4 Ų100.429%0.29253%0.53SS..PPolyproline II helixtrans-52.8152.4165.9-30.237.9000113.9S316 N318P312-S316 WeakPolarHBondContact CB-OG 3.46Å; P312-N318 HydrophobicContact CB-CB 3.5Å; P312-N318 WeakPolarHBondContact CB-ND2 3.44Å; P312-N318 HydrophobicContact CG-CB 3.53Å
313P70.8Confident74.6Confident48 Ų4897.9 Ų97.931%0.31252%0.522SS..PPolyproline II helixtrans-53.6142.5171.7-24.333.6000112G315 S316P313-G315 PolarHBondContact O-N 3.18Å; P313-S316 VanDerWaalsContact O-CB 3.3Å; P313-S316 WeakPolarHBondContact O-CB 3.43Å; P313-S316 PolarHBondContact O-N 3.01Å; P313-S316 PolarHBondContact O-OG 3.44Å
314K71.1Confident74.4Confident222 Ų22295.9 Ų95.997%0.96551%0.512SS*.THydrogen-bonded Turntrans-57.9118.2-177.7-173.6178.3-179.8177.90111.4
315G69.4Low74.1Confident84 Ų8490.9 Ų90.987%0.86650%0.495SS*.THydrogen-bonded Turntrans85.38.518000000114.6P313P313-G315 PolarHBondContact O-N 3.18Å
316S70.8Confident74Confident41 Ų4186.1 Ų86.129%0.28748%0.479SS..  trans-69.4145.9168.263.80000111P312 P313 N318P312-S316 WeakPolarHBondContact CB-OG 3.46Å; P313-S316 VanDerWaalsContact O-CB 3.3Å; P313-S316 WeakPolarHBondContact O-CB 3.43Å; P313-S316 PolarHBondContact O-N 3.01Å; P313-S316 PolarHBondContact O-OG 3.44Å; S316-N318 PolarHBondContact O-N 3.2Å; S316-N318 WeakPolarHBondContact OG-CB 3.31Å; S316-N318 VanDerWaalsContact OG-CG 3.23Å; S316-N318 PolarHBondContact OG-ND2 3.47Å
317D67.7Low73.4Confident133 Ų13383.8 Ų83.871%0.71147%0.468SS*.  trans-78.743.1172.7-164.128.3000111.6K94K94-D317 WeakPolarHBondContact CD-O 3.32Å
318N69Low73.2Confident23 Ų2384.6 Ų84.612%0.12347%0.474CS..  trans-97.9117.7180-60.5-2.5000106.1K94 P312 S316K94-N318 WeakPolarHBondContact CA-OD1 3.37Å; K94-N318 VanDerWaalsContact CB-OD1 3.26Å; K94-N318 WeakPolarHBondContact CB-OD1 3.32Å; K94-N318 PolarHBondContact O-ND2 3.22Å; K94-N318 PolarHBondContact O-OD1 3.43Å; P312-N318 HydrophobicContact CB-CB 3.5Å; P312-N318 WeakPolarHBondContact CB-ND2 3.44Å; P312-N318 HydrophobicContact CG-CB 3.53Å; S316-N318 PolarHBondContact O-N 3.2Å; S316-N318 WeakPolarHBondContact OG-CB 3.31Å; S316-N318 VanDerWaalsContact OG-CG 3.23Å; S316-N318 PolarHBondContact OG-ND2 3.47Å
319D58.3Low72.4Confident144 Ų14489.7 Ų89.777%0.7750%0.504SS*.  trans-52.50-179.7-76.6-24.8000112.6

Retrieved 319 of 319 residues in 783.4 ms (Link to these results)

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