A0A087WVX3_HUMAN Loading...

ADP ribosylation factor like GTPase 17A

AlphaFold DB , UniProt , Accession A0A087WVX3, Species HUMAN (Homo sapiens, Human), Gene ARL17A, Length 141 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
1M35.5Very low52.7Low235 Ų235106.8 Ų106.8100%1.15856%0.559SS**  095.10-68.9-59.9-174.600108.3N3M1-N3 PolarHBondContact O-N 3.15Å
2G38.2Very low53.1Low55 Ų55102 Ų10257%0.56753%0.534SS*.  trans-64.1121-173.200000110.9I4G2-I4 PolarHBondContact O-N 3.1Å
3N53.7Low53.5Low99 Ų9997.1 Ų97.153%0.52951%0.508SS..  trans-46.2121.9179.1-65.5-47.6000109.5M1 F5 E6 K7M1-N3 PolarHBondContact O-N 3.15Å; N3-F5 HydrophobicContact CB-CB 4.39Å; N3-F5 PolarHBondContact O-N 3.27Å; N3-E6 HydrophobicContact CB-CB 4.49Å; N3-E6 HydrophobicContact CB-CG 4.19Å; N3-E6 PolarHBondContact ND2-OE1 3.35Å; N3-E6 VanDerWaalsContact ND2-OE1 3.12Å; N3-E6 PolarHBondContact O-N 3.14Å; N3-K7 PolarHBondContact O-N 3.18Å
4I53.3Low53.4Low144 Ų14494.8 Ų94.874%0.73852%0.52SS*.Hα-helixtrans-48.3-34.4175.6-67.9158000110.3G2 E6 K7 L8G2-I4 PolarHBondContact O-N 3.1Å; I4-E6 PolarHBondContact O-N 3.3Å; I4-K7 PolarHBondContact O-N 2.83Å; I4-L8 WeakPolarHBondContact O-CB 3.25Å; I4-L8 PolarHBondContact O-N 3.38Å
5F51.8Low53.1Low46 Ų46100.7 Ų100.720%0.20254%0.538CS..Hα-helixtrans-56.5-45174.3-149.5-80.9000114.2N3 L8 F9 I33 L37N3-F5 HydrophobicContact CB-CB 4.39Å; N3-F5 PolarHBondContact O-N 3.27Å; F5-L8 PolarHBondContact O-N 3.38Å; F5-F9 HydrophobicContact CD1-CD2 4.05Å; F5-F9 AromaticContact CE1-CD2 3.39Å; F5-F9 HydrophobicContact CE1-CD2 3.39Å; F5-F9 AromaticContact CE1-CE2 3.62Å; F5-F9 HydrophobicContact CE1-CE2 3.62Å; F5-F9 HydrophobicContact CE1-CG 4.34Å; F5-F9 HydrophobicContact CZ-CD2 4.13Å; F5-F9 HydrophobicContact CZ-CE2 4.06Å; F5-F9 WeakPolarHBondContact O-CB 2.75Å; F5-F9 PolarHBondContact O-N 3.2Å; F5-I33 HydrophobicContact CE1-CG2 4.3Å; F5-I33 HydrophobicContact CE2-CG2 3.66Å; F5-I33 HydrophobicContact CZ-CG2 3.52Å; F5-L37 HydrophobicContact CD1-CD2 3.76Å; F5-L37 HydrophobicContact CD1-CG 4.42Å; F5-L37 HydrophobicContact CE1-CD1 3.39Å; F5-L37 HydrophobicContact CE1-CD2 3.3Å; F5-L37 HydrophobicContact CE1-CG 3.69Å; F5-L37 HydrophobicContact CZ-CD1 3.64Å; F5-L37 HydrophobicContact CZ-CD2 4.38Å; F5-L37 HydrophobicContact CZ-CG 4.38Å
6E55.8Low53.4Low98 Ų98103.9 Ų103.946%0.45855%0.546SS..Hα-helixtrans-69.3-38.3-179.2-76.9176.4-144.400112.3N3 I4 L8 K10N3-E6 HydrophobicContact CB-CB 4.49Å; N3-E6 HydrophobicContact CB-CG 4.19Å; N3-E6 PolarHBondContact ND2-OE1 3.35Å; N3-E6 VanDerWaalsContact ND2-OE1 3.12Å; N3-E6 PolarHBondContact O-N 3.14Å; I4-E6 PolarHBondContact O-N 3.3Å; E6-L8 VanDerWaalsContact C-N 3.33Å; E6-K10 VanDerWaalsContact O-CB 3.26Å; E6-K10 WeakPolarHBondContact O-CB 2.76Å; E6-K10 WeakPolarHBondContact O-CG 3.26Å; E6-K10 PolarHBondContact O-N 3.18Å
7K55.9Low53.4Low155 Ų155108.2 Ų108.267%0.67456%0.559SS**Hα-helixtrans-65.2-41.2174.9-72.1-175.1177.1-178.60110.8N3 I4 K10 S11N3-K7 PolarHBondContact O-N 3.18Å; I4-K7 PolarHBondContact O-N 2.83Å; K7-K10 PolarHBondContact O-N 2.74Å; K7-S11 PolarHBondContact O-N 2.72Å; K7-S11 VanDerWaalsContact O-N 3.09Å
8L58.8Low53.6Low67 Ų67103.5 Ų103.535%0.35154%0.535SS..Hα-helixtrans-66.6-44.6178.4-134.187.3000112.1I4 F5 E6 S11 L12 W98I4-L8 WeakPolarHBondContact O-CB 3.25Å; I4-L8 PolarHBondContact O-N 3.38Å; F5-L8 PolarHBondContact O-N 3.38Å; E6-L8 VanDerWaalsContact C-N 3.33Å; L8-S11 WeakPolarHBondContact O-CB 3.28Å; L8-S11 PolarHBondContact O-N 3.48Å; L8-L12 PolarHBondContact O-N 2.95Å; L8-W98 HydrophobicContact CD2-CD2 4.08Å; L8-W98 HydrophobicContact CD2-CG 3.85Å; L8-W98 HydrophobicContact CD2-CZ2 4.28Å
9F58.6Low54Low22 Ų22104.5 Ų104.510%0.09653%0.531CS..Hα-helixtrans-65.3-39.9176.4-121.1-102.4000111.5F5 S11 L12 L13 L37 F63F5-F9 HydrophobicContact CD1-CD2 4.05Å; F5-F9 AromaticContact CE1-CD2 3.39Å; F5-F9 HydrophobicContact CE1-CD2 3.39Å; F5-F9 AromaticContact CE1-CE2 3.62Å; F5-F9 HydrophobicContact CE1-CE2 3.62Å; F5-F9 HydrophobicContact CE1-CG 4.34Å; F5-F9 HydrophobicContact CZ-CD2 4.13Å; F5-F9 HydrophobicContact CZ-CE2 4.06Å; F5-F9 WeakPolarHBondContact O-CB 2.75Å; F5-F9 PolarHBondContact O-N 3.2Å; F9-S11 VanDerWaalsContact C-N 3.27Å; F9-S11 PolarHBondContact O-N 2.92Å; F9-L12 CarbonylContact O-C 3.58Å; F9-L12 PolarHBondContact O-N 2.93Å; F9-L13 HydrophobicContact CB-CD1 4.46Å; F9-L13 HydrophobicContact CD1-CD1 4.18Å; F9-L13 HydrophobicContact CD1-CG 4.4Å; F9-L13 WeakPolarHBondContact O-CB 2.84Å; F9-L13 VanDerWaalsContact O-CD1 3.3Å; F9-L13 WeakPolarHBondContact O-CD1 3.33Å; F9-L13 WeakPolarHBondContact O-CG 3.1Å; F9-L13 PolarHBondContact O-N 3.39Å; F9-L37 HydrophobicContact CD1-CD2 4.15Å; F9-L37 HydrophobicContact CD2-CD2 3.97Å; F9-L37 HydrophobicContact CE1-CD2 4.11Å; F9-L37 HydrophobicContact CE2-CD1 3.8Å; F9-L37 HydrophobicContact CE2-CD2 3.92Å; F9-L37 HydrophobicContact CE2-CG 4.46Å; F9-L37 HydrophobicContact CG-CD2 4.08Å; F9-L37 HydrophobicContact CZ-CD1 3.91Å; F9-L37 HydrophobicContact CZ-CD2 3.99Å; F9-L37 HydrophobicContact CZ-CG 4.44Å; F9-F63 HydrophobicContact CD1-CZ 4.43Å; F9-F63 HydrophobicContact CE1-CD2 4.44Å; F9-F63 HydrophobicContact CE1-CE1 4.05Å; F9-F63 AromaticContact CE1-CE2 3.98Å; F9-F63 HydrophobicContact CE1-CE2 3.98Å; F9-F63 AromaticContact CE1-CZ 3.75Å; F9-F63 HydrophobicContact CE1-CZ 3.75Å; F9-F63 HydrophobicContact CZ-CD1 4.45Å; F9-F63 HydrophobicContact CZ-CE1 4.29Å; F9-F63 HydrophobicContact CZ-CZ 4.43Å
10K58.8Low54.4Low150 Ų15099.5 Ų99.565%0.65251%0.505SS*.Hα-helixtrans-59.2-37.5174.1-80.7176179.8177.90112.3E6 K7 L12 L13E6-K10 VanDerWaalsContact O-CB 3.26Å; E6-K10 WeakPolarHBondContact O-CB 2.76Å; E6-K10 WeakPolarHBondContact O-CG 3.26Å; E6-K10 PolarHBondContact O-N 3.18Å; K7-K10 PolarHBondContact O-N 2.74Å; K10-L12 VanDerWaalsContact C-N 3.28Å; K10-L12 PolarHBondContact O-N 3.02Å; K10-L13 PolarHBondContact O-N 3.1Å
11S59.4Low55Low104 Ų10495.1 Ų95.173%0.72748%0.483SS*.Hα-helixtrans-67.1-28.4174.5-167.90000113.2K7 L8 F9K7-S11 PolarHBondContact O-N 2.72Å; K7-S11 VanDerWaalsContact O-N 3.09Å; L8-S11 WeakPolarHBondContact O-CB 3.28Å; L8-S11 PolarHBondContact O-N 3.48Å; F9-S11 VanDerWaalsContact C-N 3.27Å; F9-S11 PolarHBondContact O-N 2.92Å
12L57.4Low56.5Low49 Ų4984.7 Ų84.726%0.25743%0.432SS..Hα-helixtrans-90-14.1179.5-71.1169.2000112.9L8 F9 K10 G14 M18 I20 W98L8-L12 PolarHBondContact O-N 2.95Å; F9-L12 CarbonylContact O-C 3.58Å; F9-L12 PolarHBondContact O-N 2.93Å; K10-L12 VanDerWaalsContact C-N 3.28Å; K10-L12 PolarHBondContact O-N 3.02Å; L12-G14 PolarHBondContact O-N 2.76Å; L12-G14 VanDerWaalsContact O-N 3.1Å; L12-M18 HydrophobicContact CB-CE 3.81Å; L12-M18 HydrophobicContact CD2-CE 4.11Å; L12-M18 HydrophobicContact CD2-SD 4.43Å; L12-M18 WeakPolarHBondContact O-CE 3.47Å; L12-I20 HydrophobicContact CD1-CD1 4.47Å; L12-W98 HydrophobicContact CD1-CE3 4.23Å; L12-W98 HydrophobicContact CD1-CH2 3.73Å; L12-W98 HydrophobicContact CD1-CZ2 4.23Å; L12-W98 HydrophobicContact CD1-CZ3 3.74Å
13L58.8Low57.9Low38 Ų3883.5 Ų83.520%0.19941%0.413CS..  trans-7814.4-177.9-80.3158.4000114.3F9 K10 K15 Y58 F63F9-L13 HydrophobicContact CB-CD1 4.46Å; F9-L13 HydrophobicContact CD1-CD1 4.18Å; F9-L13 HydrophobicContact CD1-CG 4.4Å; F9-L13 WeakPolarHBondContact O-CB 2.84Å; F9-L13 VanDerWaalsContact O-CD1 3.3Å; F9-L13 WeakPolarHBondContact O-CD1 3.33Å; F9-L13 WeakPolarHBondContact O-CG 3.1Å; F9-L13 PolarHBondContact O-N 3.39Å; K10-L13 PolarHBondContact O-N 3.1Å; L13-K15 VanDerWaalsContact C-N 3.32Å; L13-K15 PolarHBondContact O-N 3.44Å; L13-Y58 HydrophobicContact CD1-CD1 4.48Å; L13-Y58 HydrophobicContact CD1-CE1 4.04Å; L13-Y58 HydrophobicContact CD2-CD1 3.76Å; L13-Y58 HydrophobicContact CD2-CE1 4.04Å; L13-F63 HydrophobicContact CD2-CE2 4.37Å; L13-F63 HydrophobicContact CD2-CZ 4.08Å
14G52.3Low58.2Low65 Ų6579.6 Ų79.667%0.6739%0.393SS*.SBendtrans-71.778.4171.800000112.6L12 K16L12-G14 PolarHBondContact O-N 2.76Å; L12-G14 VanDerWaalsContact O-N 3.1Å; G14-K16 PolarHBondContact O-N 3.41Å
15K48.4Very low58.2Low183 Ų18379.1 Ų79.180%0.79639%0.391SS*.SBendtrans22.785161.8-62.3-178.7-180178.60116.9L13L13-K15 VanDerWaalsContact C-N 3.32Å; L13-K15 PolarHBondContact O-N 3.44Å
16K57.2Low58.4Low153 Ų15383.5 Ų83.567%0.66542%0.416SS*.SBendtrans-172.3146.1153.5-127171179.9171.30108G14 M18 N61G14-K16 PolarHBondContact O-N 3.41Å; K16-M18 PolarHBondContact O-N 3.13Å; K16-M18 VanDerWaalsContact O-N 3.13Å; K16-N61 PolarHBondContact N-OD1 3.36Å; K16-N61 PolarHBondContact O-OD1 2.76Å
17K53.5Low58.2Low176 Ų17685.6 Ų85.677%0.76544%0.436SS*.  trans-47.8120.9171.2-67.4-178.8178-179.20109.3
18M57.3Low58.2Low24 Ų2479.4 Ų79.412%0.11841%0.414CS..  trans-138.6116.8-171179.3157.657.200111.8L12 K16 I20 T62 F63 K86L12-M18 HydrophobicContact CB-CE 3.81Å; L12-M18 HydrophobicContact CD2-CE 4.11Å; L12-M18 HydrophobicContact CD2-SD 4.43Å; L12-M18 WeakPolarHBondContact O-CE 3.47Å; K16-M18 PolarHBondContact O-N 3.13Å; K16-M18 VanDerWaalsContact O-N 3.13Å; M18-I20 HydrophobicContact CE-CD1 4.37Å; M18-I20 HydrophobicContact CG-CG1 4.08Å; M18-T62 CarbonylContact C-O 3.55Å; M18-T62 PolarHBondContact N-O 3.06Å; M18-F63 HydrophobicContact CE-CE1 4.1Å; M18-F63 WeakPolarHBondContact O-CA 3.02Å; M18-K86 HydrophobicContact CG-CB 4.24Å; M18-K86 HydrophobicContact CG-CD 4.47Å; M18-K86 HydrophobicContact SD-CB 4.29Å; M18-K86 HydrophobicContact SD-CD 4.41Å
19R60.6Low57.9Low123 Ų12377.7 Ų77.746%0.46441%0.412SS..EExtended strand (participates in β ladder)trans-89.1132176.2-57.1178.8-176.5-175.70.8109.4A64 T85 K86R19-A64 HydrophobicContact CB-CB 4.4Å; R19-A64 HydrophobicContact CG-CB 4.29Å; R19-T85 WeakPolarHBondContact O-CG2 3.27Å; R19-K86 PolarHBondContact O-N 3.46Å
20I62.9Low58Low4 Ų477.9 Ų77.92%0.02141%0.413CS..EExtended strand (participates in β ladder)trans-127.7111.9-178-59.7-178.9000109.5L12 M18 I22 F63 A64 G87 C89 W98L12-I20 HydrophobicContact CD1-CD1 4.47Å; M18-I20 HydrophobicContact CE-CD1 4.37Å; M18-I20 HydrophobicContact CG-CG1 4.08Å; I20-I22 HydrophobicContact CG2-CG1 4.41Å; I20-F63 HydrophobicContact CD1-CD1 3.52Å; I20-F63 HydrophobicContact CD1-CE1 3.72Å; I20-F63 HydrophobicContact CG1-CD1 4.06Å; I20-A64 CarbonylContact C-O 3.4Å; I20-A64 PolarHBondContact N-O 3.19Å; I20-G87 WeakPolarHBondContact CA-O 3.44Å; I20-C89 HydrophobicContact CG2-CB 4.36Å; I20-W98 HydrophobicContact CD1-CH2 3.92Å; I20-W98 HydrophobicContact CD1-CZ3 3.95Å; I20-W98 HydrophobicContact CG1-CZ3 4.47Å; I20-W98 HydrophobicContact CG2-CH2 3.69Å; I20-W98 HydrophobicContact CG2-CZ3 3.5Å
21L67.4Low57.8Low7 Ų774.1 Ų74.14%0.03740%0.403CS..EExtended strand (participates in β ladder)trans-76.9124.6176.5-171.683000110.2L23 W66 F82 T85 G87 S88 C89L21-L23 HydrophobicContact CD2-CD1 4.1Å; L21-L23 HydrophobicContact CD2-CD2 3.96Å; L21-L23 HydrophobicContact CD2-CG 3.87Å; L21-L23 HydrophobicContact CG-CD2 4.35Å; L21-L23 HydrophobicContact CG-CG 4.27Å; L21-W66 HydrophobicContact CD1-CB 3.41Å; L21-W66 VanDerWaalsContact CD1-CB 3.41Å; L21-W66 HydrophobicContact CD1-CD2 4.45Å; L21-W66 HydrophobicContact CD1-CG 3.55Å; L21-W66 HydrophobicContact CG-CB 4.45Å; L21-F82 HydrophobicContact CD2-CD1 4.46Å; L21-F82 HydrophobicContact CD2-CE1 3.53Å; L21-F82 HydrophobicContact CD2-CE2 4.36Å; L21-F82 HydrophobicContact CD2-CZ 3.46Å; L21-F82 VanDerWaalsContact CD2-CZ 3.46Å; L21-T85 HydrophobicContact CB-CG2 3.98Å; L21-G87 PolarHBondContact N-O 3.37Å; L21-S88 CarbonylContact O-C 3.35Å; L21-S88 WeakPolarHBondContact O-CA 3.5Å; L21-C89 PolarHBondContact O-N 3.34Å
22I66.2Low57.7Low17 Ų1773.4 Ų73.49%0.08739%0.394CS..EExtended strand (participates in β ladder)trans-107.396.5175.1-53.4-173.4000110.3I20 V65 W66 C89 I91I20-I22 HydrophobicContact CG2-CG1 4.41Å; I22-V65 HydrophobicContact CB-CG1 3.96Å; I22-V65 HydrophobicContact CD1-CB 4.33Å; I22-V65 HydrophobicContact CD1-CG1 3.63Å; I22-V65 HydrophobicContact CD1-CG2 3.76Å; I22-V65 HydrophobicContact CG1-CG1 3.82Å; I22-V65 HydrophobicContact CG1-CG2 4.21Å; I22-W66 CarbonylContact C-O 3.53Å; I22-C89 CarbonylContact C-O 3.54Å; I22-C89 VanDerWaalsContact CA-O 3.26Å; I22-C89 WeakPolarHBondContact CA-O 3.3Å; I22-C89 HydrophobicContact CG1-CB 4.34Å; I22-I91 HydrophobicContact CG2-CD1 3.68Å; I22-I91 HydrophobicContact CG2-CG1 4.09Å
23L67.1Low57.8Low30 Ų3073 Ų7316%0.15739%0.392CS..EExtended strand (participates in β ladder)trans-81.8138171.7-63.1172.5000108.8L21 V68 W78 C89 S90 I91L21-L23 HydrophobicContact CD2-CD1 4.1Å; L21-L23 HydrophobicContact CD2-CD2 3.96Å; L21-L23 HydrophobicContact CD2-CG 3.87Å; L21-L23 HydrophobicContact CG-CD2 4.35Å; L21-L23 HydrophobicContact CG-CG 4.27Å; L23-V68 HydrophobicContact CD2-CB 4.19Å; L23-V68 HydrophobicContact CD2-CG2 4.19Å; L23-W78 HydrophobicContact CD2-CH2 4.07Å; L23-W78 HydrophobicContact CD2-CZ2 4.27Å; L23-C89 PolarHBondContact N-O 2.97Å; L23-S90 CarbonylContact O-C 3.47Å; L23-S90 VanDerWaalsContact O-CA 3.27Å; L23-S90 WeakPolarHBondContact O-CA 3.5Å; L23-I91 PolarHBondContact O-N 3.3Å
24S61.1Low57.8Low16 Ų1671.7 Ų71.711%0.11239%0.385CS..EExtended strand (participates in β ladder)trans-158.4149.1172.4-7.90000110.9K30 I91S24-K30 VanDerWaalsContact C-NZ 3.25Å; S24-K30 VanDerWaalsContact CB-CD 3.5Å; S24-K30 WeakPolarHBondContact O-CE 3.47Å; S24-K30 PolarHBondContact O-NZ 3.08Å; S24-K30 WeakPolarHBondContact OG-CD 3.17Å; S24-K30 WeakPolarHBondContact OG-CE 3.45Å; S24-K30 WeakPolarHBondContact OG-CG 3.43Å; S24-K30 PolarHBondContact OG-NZ 3.12Å; S24-K30 VanDerWaalsContact OG-NZ 3.1Å; S24-I91 VanDerWaalsContact CA-O 3.29Å; S24-I91 WeakPolarHBondContact CA-O 3.21Å; S24-I91 WeakPolarHBondContact CB-O 3.26Å
25L53.8Low57.8Low135 Ų13569.6 Ų69.671%0.70736%0.357SS*.  trans-72.6151.1174.8-115.866.5000109.6T27 A28L25-T27 PolarHBondContact O-N 3.25Å; L25-A28 PolarHBondContact O-N 3.19Å
26D54.3Low58.2Low137 Ų13768.6 Ų68.673%0.73335%0.353SS*.THydrogen-bonded Turntrans-46.2133.6170.9-90.3-50.6000109.3
27T51.6Low57.9Low142 Ų14262.8 Ų62.887%0.87133%0.329SS*.THydrogen-bonded Turntrans83.4-0.3-177.165.30000120.1L25 G29L25-T27 PolarHBondContact O-N 3.25Å; T27-G29 PolarHBondContact O-N 3.26Å
28A56Low57.8Low26 Ų2657.3 Ų57.322%0.21531%0.305CS..SBendtrans-74.68.6-178.200000116.9L25 K30 I91L25-A28 PolarHBondContact O-N 3.19Å; A28-K30 PolarHBondContact O-N 3.2Å; A28-I91 HydrophobicContact CB-CB 4.5Å; A28-I91 HydrophobicContact CB-CG2 4.03Å
29G53.8Low57.2Low30 Ų3060.8 Ų60.831%0.30932%0.323SS..  trans68.329.6175.100000115.3T27 T31 T32 I33T27-G29 PolarHBondContact O-N 3.26Å; G29-T31 VanDerWaalsContact C-N 3.33Å; G29-T31 PolarHBondContact O-N 3.48Å; G29-T32 VanDerWaalsContact O-CB 3.31Å; G29-T32 WeakPolarHBondContact O-CB 3.31Å; G29-T32 PolarHBondContact O-N 3.47Å; G29-T32 VanDerWaalsContact O-N 3.08Å; G29-I33 PolarHBondContact O-N 2.83Å
30K60.4Low56.6Low27 Ų2758.5 Ų58.512%0.11734%0.338CS..Hα-helixtrans-54-46.2-176.8-50-172.2-155.9-143.80113.6S24 A28 T32 I33 L34 D67S24-K30 VanDerWaalsContact C-NZ 3.25Å; S24-K30 VanDerWaalsContact CB-CD 3.5Å; S24-K30 WeakPolarHBondContact O-CE 3.47Å; S24-K30 PolarHBondContact O-NZ 3.08Å; S24-K30 WeakPolarHBondContact OG-CD 3.17Å; S24-K30 WeakPolarHBondContact OG-CE 3.45Å; S24-K30 WeakPolarHBondContact OG-CG 3.43Å; S24-K30 PolarHBondContact OG-NZ 3.12Å; S24-K30 VanDerWaalsContact OG-NZ 3.1Å; A28-K30 PolarHBondContact O-N 3.2Å; K30-T32 VanDerWaalsContact C-N 3.29Å; K30-T32 PolarHBondContact O-N 3.4Å; K30-I33 PolarHBondContact O-N 3.48Å; K30-L34 WeakPolarHBondContact O-CB 3.43Å; K30-L34 PolarHBondContact O-N 2.9Å; K30-D67 WeakPolarHBondContact CD-OD1 3.45Å; K30-D67 WeakPolarHBondContact CE-OD1 3.48Å; K30-D67 IonicContact NZ-OD1 2.67Å; K30-D67 PolarHBondContact NZ-OD1 3.43Å
31T54.4Low55.3Low71 Ų7165.3 Ų65.344%0.43637%0.37SS..Hα-helixtrans-63.5-37179.424.10000110.8G29 I33 L34 Y35 A45G29-T31 VanDerWaalsContact C-N 3.33Å; G29-T31 PolarHBondContact O-N 3.48Å; T31-I33 PolarHBondContact O-N 2.99Å; T31-L34 PolarHBondContact O-N 3.45Å; T31-Y35 WeakPolarHBondContact O-CB 3.15Å; T31-Y35 WeakPolarHBondContact O-CD2 3.41Å; T31-Y35 PolarHBondContact O-N 3.41Å; T31-A45 HydrophobicContact CG2-CB 4.23Å
32T56.7Low53.7Low88 Ų8870.8 Ų70.854%0.5440%0.404SS..Hα-helixtrans-64.3-40.2175.7-45.40000112.5G29 K30 K36G29-T32 VanDerWaalsContact O-CB 3.31Å; G29-T32 WeakPolarHBondContact O-CB 3.31Å; G29-T32 PolarHBondContact O-N 3.47Å; G29-T32 VanDerWaalsContact O-N 3.08Å; K30-T32 VanDerWaalsContact C-N 3.29Å; K30-T32 PolarHBondContact O-N 3.4Å; T32-K36 WeakPolarHBondContact O-CG 3.16Å; T32-K36 PolarHBondContact O-N 3.44Å; T32-K36 VanDerWaalsContact O-N 3.14Å
33I60.6Low52.2Low40 Ų4073.1 Ų73.121%0.20542%0.419CS..Hα-helixtrans-70.4-41.5175.9-74.2166.9000110.5F5 G29 K30 T31 Y35 K36 L37 I91F5-I33 HydrophobicContact CE1-CG2 4.3Å; F5-I33 HydrophobicContact CE2-CG2 3.66Å; F5-I33 HydrophobicContact CZ-CG2 3.52Å; G29-I33 PolarHBondContact O-N 2.83Å; K30-I33 PolarHBondContact O-N 3.48Å; T31-I33 PolarHBondContact O-N 2.99Å; I33-Y35 VanDerWaalsContact C-N 3.29Å; I33-Y35 PolarHBondContact O-N 3.32Å; I33-K36 PolarHBondContact O-N 2.87Å; I33-L37 HydrophobicContact CG2-CD1 3.97Å; I33-L37 WeakPolarHBondContact O-CD1 3.14Å; I33-L37 VanDerWaalsContact O-CG 3.26Å; I33-L37 WeakPolarHBondContact O-CG 3.44Å; I33-L37 PolarHBondContact O-N 3.22Å; I33-I91 HydrophobicContact CD1-CD1 3.9Å
34L58.1Low50.6Low11 Ų1177 Ų776%0.05845%0.446CS..Hα-helixtrans-60.5-40.9177.2-165.163.1000111.7K30 T31 L37 K38 E54 V56 V65K30-L34 WeakPolarHBondContact O-CB 3.43Å; K30-L34 PolarHBondContact O-N 2.9Å; T31-L34 PolarHBondContact O-N 3.45Å; L34-L37 WeakPolarHBondContact O-CB 3.26Å; L34-L37 PolarHBondContact O-N 3.23Å; L34-K38 PolarHBondContact O-N 3.36Å; L34-E54 HydrophobicContact CD2-CB 3.83Å; L34-E54 VanDerWaalsContact CD2-CD 3.48Å; L34-E54 HydrophobicContact CD2-CG 4.11Å; L34-E54 WeakPolarHBondContact CD2-OE2 3.39Å; L34-V56 HydrophobicContact CD1-CG2 3.57Å; L34-V56 HydrophobicContact CG-CG2 4.12Å; L34-V65 HydrophobicContact CD1-CB 3.83Å; L34-V65 HydrophobicContact CD1-CG1 3.88Å; L34-V65 HydrophobicContact CD1-CG2 3.52Å; L34-V65 HydrophobicContact CD2-CG1 4.3Å
35Y53.3Low49.7Very low21 Ų2177.3 Ų77.38%0.08245%0.449CS..Hα-helixtrans-70.7-39.6178.3-88.4-60.4000114.7T31 I33 L37 K38 V43 P44 A45T31-Y35 WeakPolarHBondContact O-CB 3.15Å; T31-Y35 WeakPolarHBondContact O-CD2 3.41Å; T31-Y35 PolarHBondContact O-N 3.41Å; I33-Y35 VanDerWaalsContact C-N 3.29Å; I33-Y35 PolarHBondContact O-N 3.32Å; Y35-L37 PolarHBondContact O-N 2.9Å; Y35-K38 HydrophobicContact CE1-CD 4.22Å; Y35-K38 PolarHBondContact O-N 2.91Å; Y35-V43 HydrophobicContact CD1-CB 4.11Å; Y35-V43 WeakPolarHBondContact CD1-O 3.47Å; Y35-V43 VanDerWaalsContact CD2-O 3.28Å; Y35-V43 WeakPolarHBondContact CD2-O 3.03Å; Y35-V43 HydrophobicContact CE1-CB 3.68Å; Y35-V43 HydrophobicContact CE1-CG1 4.12Å; Y35-V43 WeakPolarHBondContact CE1-O 3.45Å; Y35-V43 VanDerWaalsContact CE2-O 3.25Å; Y35-V43 WeakPolarHBondContact CE2-O 3.47Å; Y35-P44 PolarHBondContact OH-O 2.82Å; Y35-A45 HydrophobicContact CE2-CB 3.32Å; Y35-A45 WeakPolarHBondContact OH-CA 3.45Å; Y35-A45 WeakPolarHBondContact OH-CB 3.41Å; Y35-A45 PolarHBondContact OH-N 2.76Å
36K55.1Low49Very low163 Ų16376.4 Ų76.471%0.70945%0.449SS*.Hα-helixtrans-57.9-29.2170.8-79.8-177.2174.4-176.60112.2T32 I33T32-K36 WeakPolarHBondContact O-CG 3.16Å; T32-K36 PolarHBondContact O-N 3.44Å; T32-K36 VanDerWaalsContact O-N 3.14Å; I33-K36 PolarHBondContact O-N 2.87Å
37L52.7Low47.9Very low30 Ų3075.6 Ų75.616%0.15745%0.452CS..Hα-helixtrans-86.9-32.1179.8-66.8164.6000114.5F5 F9 I33 L34 Y35 L39 Y58F5-L37 HydrophobicContact CD1-CD2 3.76Å; F5-L37 HydrophobicContact CD1-CG 4.42Å; F5-L37 HydrophobicContact CE1-CD1 3.39Å; F5-L37 HydrophobicContact CE1-CD2 3.3Å; F5-L37 HydrophobicContact CE1-CG 3.69Å; F5-L37 HydrophobicContact CZ-CD1 3.64Å; F5-L37 HydrophobicContact CZ-CD2 4.38Å; F5-L37 HydrophobicContact CZ-CG 4.38Å; F9-L37 HydrophobicContact CD1-CD2 4.15Å; F9-L37 HydrophobicContact CD2-CD2 3.97Å; F9-L37 HydrophobicContact CE1-CD2 4.11Å; F9-L37 HydrophobicContact CE2-CD1 3.8Å; F9-L37 HydrophobicContact CE2-CD2 3.92Å; F9-L37 HydrophobicContact CE2-CG 4.46Å; F9-L37 HydrophobicContact CG-CD2 4.08Å; F9-L37 HydrophobicContact CZ-CD1 3.91Å; F9-L37 HydrophobicContact CZ-CD2 3.99Å; F9-L37 HydrophobicContact CZ-CG 4.44Å; I33-L37 HydrophobicContact CG2-CD1 3.97Å; I33-L37 WeakPolarHBondContact O-CD1 3.14Å; I33-L37 VanDerWaalsContact O-CG 3.26Å; I33-L37 WeakPolarHBondContact O-CG 3.44Å; I33-L37 PolarHBondContact O-N 3.22Å; L34-L37 WeakPolarHBondContact O-CB 3.26Å; L34-L37 PolarHBondContact O-N 3.23Å; Y35-L37 PolarHBondContact O-N 2.9Å; L37-L39 PolarHBondContact O-N 3.36Å; L37-Y58 WeakPolarHBondContact O-CD2 3.41Å
38K50.8Low47.4Very low61 Ų6173.1 Ų73.127%0.26544%0.436SS..Hα-helixtrans-66.2-38.5-172.6-130.2169.8177.7165.50112.3L34 Y35 E54 V56L34-K38 PolarHBondContact O-N 3.36Å; Y35-K38 HydrophobicContact CE1-CD 4.22Å; Y35-K38 PolarHBondContact O-N 2.91Å; K38-E54 IonicContact NZ-OE2 2.74Å; K38-E54 PolarHBondContact NZ-OE2 3.09Å; K38-V56 HydrophobicContact CB-CG1 4.42Å; K38-V56 HydrophobicContact CD-CG2 4.09Å; K38-V56 HydrophobicContact CG-CB 4.31Å; K38-V56 HydrophobicContact CG-CG1 3.67Å; K38-V56 HydrophobicContact CG-CG2 3.92Å
39L44.6Very low46.4Very low97 Ų9779.5 Ų79.551%0.50847%0.472SS..Hα-helixtrans-142.5-13.3-162.3-78.9158.1000115.6L37 E41 V43L37-L39 PolarHBondContact O-N 3.36Å; L39-E41 HydrophobicContact CB-CB 4.15Å; L39-E41 VanDerWaalsContact CB-O 3.26Å; L39-E41 WeakPolarHBondContact CB-O 3.48Å; L39-E41 PolarHBondContact O-N 3.17Å; L39-E41 VanDerWaalsContact O-N 3.1Å; L39-V43 HydrophobicContact CD1-CB 3.79Å; L39-V43 HydrophobicContact CD1-CG2 3.26Å
40G48.2Very low46.3Very low76 Ų7680.8 Ų80.878%0.78449%0.486SS*.SBendtrans61.37.1-158.500000112.8
41E35.1Very low45.7Very low146 Ų14682.2 Ų82.268%0.68249%0.492SS*.SBendtrans-143.9149.2-179.8-149.4-179.9-164.100109.5L39 V43L39-E41 HydrophobicContact CB-CB 4.15Å; L39-E41 VanDerWaalsContact CB-O 3.26Å; L39-E41 WeakPolarHBondContact CB-O 3.48Å; L39-E41 PolarHBondContact O-N 3.17Å; L39-E41 VanDerWaalsContact O-N 3.1Å; E41-V43 PolarHBondContact O-N 3.03Å
42T34.7Very low45.5Very low122 Ų12280 Ų8075%0.74848%0.479SS*.  trans-91.198.1-168.3-48.20000110.2
43V34.7Very low45.4Very low67 Ų6778.9 Ų78.941%0.40647%0.472SS..PPolyproline II helixtrans-89.4146.9164.9172.50000108.4Y35 L39 E41Y35-V43 HydrophobicContact CD1-CB 4.11Å; Y35-V43 WeakPolarHBondContact CD1-O 3.47Å; Y35-V43 VanDerWaalsContact CD2-O 3.28Å; Y35-V43 WeakPolarHBondContact CD2-O 3.03Å; Y35-V43 HydrophobicContact CE1-CB 3.68Å; Y35-V43 HydrophobicContact CE1-CG1 4.12Å; Y35-V43 WeakPolarHBondContact CE1-O 3.45Å; Y35-V43 VanDerWaalsContact CE2-O 3.25Å; Y35-V43 WeakPolarHBondContact CE2-O 3.47Å; L39-V43 HydrophobicContact CD1-CB 3.79Å; L39-V43 HydrophobicContact CD1-CG2 3.26Å; E41-V43 PolarHBondContact O-N 3.03Å
44P33.9Very low45.1Very low110 Ų11078.2 Ų78.271%0.71447%0.468SS*.PPolyproline II helixtrans-85131.5176.127.6-30.8000111.2Y35Y35-P44 PolarHBondContact OH-O 2.82Å
45A42.1Very low44.9Very low23 Ų2381.3 Ų81.319%0.1949%0.487CS..PPolyproline II helixtrans-77.6135170.800000107.5T31 Y35 P47 E54T31-A45 HydrophobicContact CG2-CB 4.23Å; Y35-A45 HydrophobicContact CE2-CB 3.32Å; Y35-A45 WeakPolarHBondContact OH-CA 3.45Å; Y35-A45 WeakPolarHBondContact OH-CB 3.41Å; Y35-A45 PolarHBondContact OH-N 2.76Å; A45-P47 WeakPolarHBondContact O-CD 3.43Å; A45-E54 WeakPolarHBondContact CB-OE1 2.91Å
46V37.9Very low44.9Very low117 Ų11780.5 Ų80.571%0.70949%0.485SS*.  trans-70.8109.6165.3-178.40000106.6T48V46-T48 PolarHBondContact O-N 3.15Å
47P31.9Very low44.8Very low120 Ų12079.5 Ų79.578%0.77948%0.483SS*.  trans-74.6110.3178.730.5-28.8000107.9A45A45-P47 WeakPolarHBondContact O-CD 3.43Å
48T39.9Very low44.8Very low90 Ų9081.8 Ų81.855%0.55249%0.49SS*.  trans-95.2129.517148.70000110V46 G50V46-T48 PolarHBondContact O-N 3.15Å; T48-G50 PolarHBondContact O-N 3.32Å; T48-G50 VanDerWaalsContact O-N 3.13Å
49V36Very low45.3Very low160 Ų16086.4 Ų86.497%0.9751%0.51SS*.SBendtrans-61110.8175.9177.90000109.5
50G50.5Low45.6Very low57 Ų5788.4 Ų88.459%0.58852%0.521SS*.SBendtrans125.2173.5-179.500000113.1T48 C52T48-G50 PolarHBondContact O-N 3.32Å; T48-G50 VanDerWaalsContact O-N 3.13Å; G50-C52 PolarHBondContact O-N 3.34Å
51F47.9Very low45.9Very low56 Ų5685 Ų8525%0.24649%0.485CS..  trans-42111.6176.2177.1-101.2000111.6V53 W66 V68 I74 F81F51-V53 HydrophobicContact CD1-CG2 3.7Å; F51-V53 HydrophobicContact CE1-CG2 3.23Å; F51-V53 HydrophobicContact CZ-CG2 3.98Å; F51-W66 AromaticContact CE1-CE3 3.79Å; F51-W66 HydrophobicContact CE1-CE3 3.79Å; F51-W66 AromaticContact CE1-CZ3 3.75Å; F51-W66 HydrophobicContact CE1-CZ3 3.75Å; F51-W66 HydrophobicContact CE2-CE3 4.16Å; F51-W66 HydrophobicContact CZ-CD2 4.48Å; F51-W66 AromaticContact CZ-CE3 3.28Å; F51-W66 HydrophobicContact CZ-CE3 3.28Å; F51-W66 AromaticContact CZ-CZ3 3.59Å; F51-W66 HydrophobicContact CZ-CZ3 3.59Å; F51-V68 HydrophobicContact CD2-CG2 4.17Å; F51-V68 HydrophobicContact CE2-CG2 3.9Å; F51-I74 HydrophobicContact CB-CG2 4.22Å; F51-I74 HydrophobicContact CD2-CG2 4.46Å; F51-F81 AromaticContact CE1-CE2 3.79Å; F51-F81 HydrophobicContact CE1-CE2 3.79Å; F51-F81 AromaticContact CE1-CZ 3.77Å; F51-F81 HydrophobicContact CE1-CZ 3.77Å; F51-F81 HydrophobicContact CE2-CD2 4.33Å; F51-F81 AromaticContact CE2-CE2 3.98Å; F51-F81 HydrophobicContact CE2-CE2 3.98Å; F51-F81 AromaticContact CZ-CD2 3.74Å; F51-F81 HydrophobicContact CZ-CD2 3.74Å; F51-F81 HydrophobicContact CZ-CE1 4.41Å; F51-F81 AromaticContact CZ-CE2 3.15Å; F51-F81 HydrophobicContact CZ-CE2 3.15Å; F51-F81 AromaticContact CZ-CZ 3.56Å; F51-F81 HydrophobicContact CZ-CZ 3.56Å
52C52Low46.7Very low26 Ų2680.1 Ų80.118%0.17647%0.465CS..EExtended strand (participates in β ladder)trans-104.2119.2-174.6-169.30000109.7G50 W66 D67G50-C52 PolarHBondContact O-N 3.34Å; C52-W66 CarbonylContact O-C 3.57Å; C52-D67 HydrophobicContact CB-CB 4.08Å; C52-D67 PolarHBondContact N-O 2.71Å; C52-D67 VanDerWaalsContact N-O 3.16Å; C52-D67 PolarHBondContact O-N 3.19Å
53V53.8Low47.8Very low63 Ų6374.5 Ų74.538%0.38243%0.43SS..EExtended strand (participates in β ladder)trans-105.8105.7175.1-169.90000107.7F51 W66F51-V53 HydrophobicContact CD1-CG2 3.7Å; F51-V53 HydrophobicContact CE1-CG2 3.23Å; F51-V53 HydrophobicContact CZ-CG2 3.98Å; V53-W66 HydrophobicContact CB-CE3 3.98Å; V53-W66 HydrophobicContact CB-CH2 4.43Å; V53-W66 HydrophobicContact CB-CZ3 3.85Å; V53-W66 HydrophobicContact CG1-CD2 3.97Å; V53-W66 HydrophobicContact CG1-CE3 3.58Å; V53-W66 HydrophobicContact CG1-CH2 3.45Å; V53-W66 VanDerWaalsContact CG1-CH2 3.45Å; V53-W66 HydrophobicContact CG1-CZ2 3.87Å; V53-W66 HydrophobicContact CG1-CZ3 3.32Å; V53-W66 HydrophobicContact CG2-CD2 4.47Å; V53-W66 HydrophobicContact CG2-CE3 3.39Å; V53-W66 HydrophobicContact CG2-CH2 4.13Å; V53-W66 HydrophobicContact CG2-CZ3 3.19Å
54E54.5Low48.9Very low26 Ų2671.7 Ų71.712%0.12141%0.414CS..EExtended strand (participates in β ladder)trans-105113.1173.7-76.8-152.3-157.200109.9L34 K38 A45 V65L34-E54 HydrophobicContact CD2-CB 3.83Å; L34-E54 VanDerWaalsContact CD2-CD 3.48Å; L34-E54 HydrophobicContact CD2-CG 4.11Å; L34-E54 WeakPolarHBondContact CD2-OE2 3.39Å; K38-E54 IonicContact NZ-OE2 2.74Å; K38-E54 PolarHBondContact NZ-OE2 3.09Å; A45-E54 WeakPolarHBondContact CB-OE1 2.91Å; E54-V65 PolarHBondContact N-O 2.87Å; E54-V65 WeakPolarHBondContact O-CA 3.08Å; E54-V65 WeakPolarHBondContact O-CB 3.48Å; E54-V65 PolarHBondContact O-N 3.05Å
55T53.9Low50.2Low76 Ų7667.1 Ų67.147%0.46638%0.384SS..EExtended strand (participates in β ladder)trans-87.3117.7169.3-52.80000108.5T62 F63T55-T62 HydrophobicContact CG2-CG2 3.38Å; T55-F63 CarbonylContact C-O 3.6Å; T55-F63 WeakPolarHBondContact CA-O 3.26Å
56V53.5Low51.2Low4 Ų467.1 Ų67.12%0.02438%0.379CS..EExtended strand (participates in β ladder)trans-104119.1174.5177.10000108.3L34 K38 F63L34-V56 HydrophobicContact CD1-CG2 3.57Å; L34-V56 HydrophobicContact CG-CG2 4.12Å; K38-V56 HydrophobicContact CB-CG1 4.42Å; K38-V56 HydrophobicContact CD-CG2 4.09Å; K38-V56 HydrophobicContact CG-CB 4.31Å; K38-V56 HydrophobicContact CG-CG1 3.67Å; K38-V56 HydrophobicContact CG-CG2 3.92Å; V56-F63 HydrophobicContact CB-CB 4.39Å; V56-F63 PolarHBondContact N-O 3.04Å; V56-F63 WeakPolarHBondContact O-CA 3.36Å; V56-F63 WeakPolarHBondContact O-CB 3.43Å; V56-F63 PolarHBondContact O-N 3.16Å
57E52.5Low52.2Low143 Ų14364.3 Ų64.367%0.66836%0.36SS*.EExtended strand (participates in β ladder)trans-93.2118167.6-62.8-164.4154.900108.5T62E57-T62 HydrophobicContact CG-CG2 4.11Å
58Y53Low53.7Low78 Ų7859 Ų5931%0.30633%0.325SS..EExtended strand (participates in β ladder)trans-125.9115.6174.9-177.5-91.6000109.2L13 L37 N60 N61L13-Y58 HydrophobicContact CD1-CD1 4.48Å; L13-Y58 HydrophobicContact CD1-CE1 4.04Å; L13-Y58 HydrophobicContact CD2-CD1 3.76Å; L13-Y58 HydrophobicContact CD2-CE1 4.04Å; L37-Y58 WeakPolarHBondContact O-CD2 3.41Å; Y58-N60 PolarHBondContact O-N 2.67Å; Y58-N61 PolarHBondContact N-O 3.13Å; Y58-N61 PolarHBondContact O-N 2.81Å; Y58-N61 VanDerWaalsContact O-N 3.15Å
59K60.4Low54.5Low157 Ų15756.3 Ų56.368%0.68332%0.315SS*.THydrogen-bonded Turntrans56.2-117.4-171.8-57.6179.7177.4-175.80111.2
60N51.3Low55.3Low140 Ų14053.2 Ų53.275%0.74930%0.301SS*.THydrogen-bonded Turntrans-101.17.8-178.6-65.935.6000112.9Y58Y58-N60 PolarHBondContact O-N 2.67Å
61N53.7Low55.5Low5 Ų556.5 Ų56.53%0.02730%0.301CS..EExtended strand (participates in β ladder)trans-118125.5-176-66.8-19.1000109.8K16 Y58 F63K16-N61 PolarHBondContact N-OD1 3.36Å; K16-N61 PolarHBondContact O-OD1 2.76Å; Y58-N61 PolarHBondContact N-O 3.13Å; Y58-N61 PolarHBondContact O-N 2.81Å; Y58-N61 VanDerWaalsContact O-N 3.15Å; N61-F63 HydrophobicContact CB-CD2 4.4Å; N61-F63 HydrophobicContact CB-CE2 3.63Å; N61-F63 HydrophobicContact CB-CZ 3.74Å; N61-F63 WeakPolarHBondContact O-CD2 3.37Å
62T52.7Low55.8Low42 Ų4260.9 Ų60.926%0.25832%0.32SS..EExtended strand (participates in β ladder)trans-90.3114.6173.3-47.70000108.9M18 T55 E57M18-T62 CarbonylContact C-O 3.55Å; M18-T62 PolarHBondContact N-O 3.06Å; T55-T62 HydrophobicContact CG2-CG2 3.38Å; E57-T62 HydrophobicContact CG-CG2 4.11Å
63F58.1Low56Low4 Ų468 Ų682%0.01835%0.348CS..EExtended strand (participates in β ladder)trans-102114.8175.6-59-82.9000109.3F9 L13 M18 I20 T55 V56 N61F9-F63 HydrophobicContact CD1-CZ 4.43Å; F9-F63 HydrophobicContact CE1-CD2 4.44Å; F9-F63 HydrophobicContact CE1-CE1 4.05Å; F9-F63 AromaticContact CE1-CE2 3.98Å; F9-F63 HydrophobicContact CE1-CE2 3.98Å; F9-F63 AromaticContact CE1-CZ 3.75Å; F9-F63 HydrophobicContact CE1-CZ 3.75Å; F9-F63 HydrophobicContact CZ-CD1 4.45Å; F9-F63 HydrophobicContact CZ-CE1 4.29Å; F9-F63 HydrophobicContact CZ-CZ 4.43Å; L13-F63 HydrophobicContact CD2-CE2 4.37Å; L13-F63 HydrophobicContact CD2-CZ 4.08Å; M18-F63 HydrophobicContact CE-CE1 4.1Å; M18-F63 WeakPolarHBondContact O-CA 3.02Å; I20-F63 HydrophobicContact CD1-CD1 3.52Å; I20-F63 HydrophobicContact CD1-CE1 3.72Å; I20-F63 HydrophobicContact CG1-CD1 4.06Å; T55-F63 CarbonylContact C-O 3.6Å; T55-F63 WeakPolarHBondContact CA-O 3.26Å; V56-F63 HydrophobicContact CB-CB 4.39Å; V56-F63 PolarHBondContact N-O 3.04Å; V56-F63 WeakPolarHBondContact O-CA 3.36Å; V56-F63 WeakPolarHBondContact O-CB 3.43Å; V56-F63 PolarHBondContact O-N 3.16Å; N61-F63 HydrophobicContact CB-CD2 4.4Å; N61-F63 HydrophobicContact CB-CE2 3.63Å; N61-F63 HydrophobicContact CB-CZ 3.74Å; N61-F63 WeakPolarHBondContact O-CD2 3.37Å
64A56.9Low56.3Low8 Ų866.5 Ų66.57%0.06634%0.337CS..EExtended strand (participates in β ladder)trans-91.4112.6169.600000108.6R19 I20 W66R19-A64 HydrophobicContact CB-CB 4.4Å; R19-A64 HydrophobicContact CG-CB 4.29Å; I20-A64 CarbonylContact C-O 3.4Å; I20-A64 PolarHBondContact N-O 3.19Å; A64-W66 HydrophobicContact CB-CZ2 4.05Å; A64-W66 PolarHBondContact O-NE1 3.32Å; A64-W66 VanDerWaalsContact O-NE1 3.15Å
65V62.1Low56.5Low15 Ų1569.8 Ų69.89%0.09135%0.349CS..EExtended strand (participates in β ladder)trans-98.3135.7175.7174.20000109.3I22 L34 E54I22-V65 HydrophobicContact CB-CG1 3.96Å; I22-V65 HydrophobicContact CD1-CB 4.33Å; I22-V65 HydrophobicContact CD1-CG1 3.63Å; I22-V65 HydrophobicContact CD1-CG2 3.76Å; I22-V65 HydrophobicContact CG1-CG1 3.82Å; I22-V65 HydrophobicContact CG1-CG2 4.21Å; L34-V65 HydrophobicContact CD1-CB 3.83Å; L34-V65 HydrophobicContact CD1-CG1 3.88Å; L34-V65 HydrophobicContact CD1-CG2 3.52Å; L34-V65 HydrophobicContact CD2-CG1 4.3Å; E54-V65 PolarHBondContact N-O 2.87Å; E54-V65 WeakPolarHBondContact O-CA 3.08Å; E54-V65 WeakPolarHBondContact O-CB 3.48Å; E54-V65 PolarHBondContact O-N 3.05Å
66W62.2Low56.9Low23 Ų2370.3 Ų70.39%0.08735%0.354CS..EExtended strand (participates in β ladder)trans-125.9106.2-172.4-54.279.2000108.3L21 I22 F51 C52 V53 A64 V68 F81L21-W66 HydrophobicContact CD1-CB 3.41Å; L21-W66 VanDerWaalsContact CD1-CB 3.41Å; L21-W66 HydrophobicContact CD1-CD2 4.45Å; L21-W66 HydrophobicContact CD1-CG 3.55Å; L21-W66 HydrophobicContact CG-CB 4.45Å; I22-W66 CarbonylContact C-O 3.53Å; F51-W66 AromaticContact CE1-CE3 3.79Å; F51-W66 HydrophobicContact CE1-CE3 3.79Å; F51-W66 AromaticContact CE1-CZ3 3.75Å; F51-W66 HydrophobicContact CE1-CZ3 3.75Å; F51-W66 HydrophobicContact CE2-CE3 4.16Å; F51-W66 HydrophobicContact CZ-CD2 4.48Å; F51-W66 AromaticContact CZ-CE3 3.28Å; F51-W66 HydrophobicContact CZ-CE3 3.28Å; F51-W66 AromaticContact CZ-CZ3 3.59Å; F51-W66 HydrophobicContact CZ-CZ3 3.59Å; C52-W66 CarbonylContact O-C 3.57Å; V53-W66 HydrophobicContact CB-CE3 3.98Å; V53-W66 HydrophobicContact CB-CH2 4.43Å; V53-W66 HydrophobicContact CB-CZ3 3.85Å; V53-W66 HydrophobicContact CG1-CD2 3.97Å; V53-W66 HydrophobicContact CG1-CE3 3.58Å; V53-W66 HydrophobicContact CG1-CH2 3.45Å; V53-W66 VanDerWaalsContact CG1-CH2 3.45Å; V53-W66 HydrophobicContact CG1-CZ2 3.87Å; V53-W66 HydrophobicContact CG1-CZ3 3.32Å; V53-W66 HydrophobicContact CG2-CD2 4.47Å; V53-W66 HydrophobicContact CG2-CE3 3.39Å; V53-W66 HydrophobicContact CG2-CH2 4.13Å; V53-W66 HydrophobicContact CG2-CZ3 3.19Å; A64-W66 HydrophobicContact CB-CZ2 4.05Å; A64-W66 PolarHBondContact O-NE1 3.32Å; A64-W66 VanDerWaalsContact O-NE1 3.15Å; W66-V68 HydrophobicContact CB-CG2 4.41Å; W66-V68 PolarHBondContact O-N 2.91Å; W66-F81 HydrophobicContact CD2-CD1 4.37Å; W66-F81 HydrophobicContact CD2-CG 4.48Å; W66-F81 AromaticContact CE3-CD1 3.91Å; W66-F81 HydrophobicContact CE3-CD1 3.91Å; W66-F81 HydrophobicContact CE3-CD2 4.38Å; W66-F81 HydrophobicContact CE3-CE1 4.02Å; W66-F81 HydrophobicContact CE3-CE2 4.44Å; W66-F81 HydrophobicContact CE3-CG 4.13Å; W66-F81 HydrophobicContact CE3-CZ 4.27Å; W66-F81 AromaticContact CH2-CD1 3.15Å; W66-F81 HydrophobicContact CH2-CD1 3.15Å; W66-F81 AromaticContact CH2-CE1 3.11Å; W66-F81 HydrophobicContact CH2-CE1 3.11Å; W66-F81 HydrophobicContact CH2-CG 4.14Å; W66-F81 HydrophobicContact CH2-CZ 4.03Å; W66-F81 AromaticContact CZ2-CD1 3.66Å; W66-F81 HydrophobicContact CZ2-CD1 3.66Å; W66-F81 HydrophobicContact CZ2-CE1 4.09Å; W66-F81 HydrophobicContact CZ2-CG 4.46Å; W66-F81 AromaticContact CZ3-CD1 3.27Å; W66-F81 HydrophobicContact CZ3-CD1 3.27Å; W66-F81 HydrophobicContact CZ3-CD2 4.28Å; W66-F81 AromaticContact CZ3-CE1 3.04Å; W66-F81 HydrophobicContact CZ3-CE1 3.04Å; W66-F81 HydrophobicContact CZ3-CE2 4.08Å; W66-F81 AromaticContact CZ3-CG 3.93Å; W66-F81 HydrophobicContact CZ3-CG 3.93Å; W66-F81 AromaticContact CZ3-CZ 3.48Å; W66-F81 HydrophobicContact CZ3-CZ 3.48Å; W66-F81 VanDerWaalsContact CZ3-CZ 3.48Å
67D60.2Low57.2Low57 Ų5774 Ų7431%0.30537%0.373SS..EExtended strand (participates in β ladder)trans-84.3105.1170.7-167.90.9000109.3K30 C52K30-D67 WeakPolarHBondContact CD-OD1 3.45Å; K30-D67 WeakPolarHBondContact CE-OD1 3.48Å; K30-D67 IonicContact NZ-OD1 2.67Å; K30-D67 PolarHBondContact NZ-OD1 3.43Å; C52-D67 HydrophobicContact CB-CB 4.08Å; C52-D67 PolarHBondContact N-O 2.71Å; C52-D67 VanDerWaalsContact N-O 3.16Å; C52-D67 PolarHBondContact O-N 3.19Å
68V61.7Low57.6Low9 Ų969 Ų696%0.05535%0.348CS..BIsolated β-bridgetrans-103.1107.6175.8-166.50000108.7L23 F51 W66 I74 W78L23-V68 HydrophobicContact CD2-CB 4.19Å; L23-V68 HydrophobicContact CD2-CG2 4.19Å; F51-V68 HydrophobicContact CD2-CG2 4.17Å; F51-V68 HydrophobicContact CE2-CG2 3.9Å; W66-V68 HydrophobicContact CB-CG2 4.41Å; W66-V68 PolarHBondContact O-N 2.91Å; V68-I74 HydrophobicContact CG1-CD1 3.8Å; V68-I74 HydrophobicContact CG1-CG1 4.3Å; V68-W78 HydrophobicContact CB-CZ2 4.28Å; V68-W78 HydrophobicContact CG1-CZ2 3.59Å; V68-W78 VanDerWaalsContact CG1-NE1 3.28Å
69G57.3Low58Low33 Ų3371.8 Ų71.834%0.3436%0.363SS..  trans-62.2156.7167.400000111.9H71 I74G69-H71 PolarHBondContact O-N 3.04Å; G69-I74 WeakPolarHBondContact O-CD1 2.99Å
70S54Low58Low96 Ų9670.5 Ų70.567%0.67136%0.36SS*.SBendtrans-60.2-2.3-178.7179.40000115F72S70-F72 PolarHBondContact O-N 3.4Å
71H54.6Low58.3Low126 Ų12666 Ų6658%0.58333%0.334SS*.  trans-68.5123.6-171.5-143.1-92.8000111.9G69 K73 I74G69-H71 PolarHBondContact O-N 3.04Å; H71-K73 PolarHBondContact O-N 3.16Å; H71-I74 HydrophobicContact CB-CD1 4.4Å; H71-I74 HydrophobicContact CB-CG1 4.43Å; H71-I74 WeakPolarHBondContact O-CG1 3.35Å; H71-I74 PolarHBondContact O-N 2.94Å
72F53.1Low58.5Low147 Ų14767.8 Ų67.865%0.64534%0.341SS*.G310 helixtrans-59.2-22-173.2-84.1-96.9000114.9S70 I74 R75S70-F72 PolarHBondContact O-N 3.4Å; F72-I74 VanDerWaalsContact C-N 3.28Å; F72-I74 PolarHBondContact O-N 3.26Å; F72-R75 VanDerWaalsContact CD1-NE 3.34Å; F72-R75 VanDerWaalsContact CE1-CZ 3.49Å; F72-R75 VanDerWaalsContact CE1-NH2 3.27Å
73K57.4Low58.7Low176 Ų17672.4 Ų72.477%0.76536%0.36SS*.G310 helixtrans-67.2-19.9-176.8-68.5-175.1176-179.10114.7H71H71-K73 PolarHBondContact O-N 3.16Å
74I60.2Low58.6Low31 Ų3177.2 Ų77.216%0.15939%0.386CS..G310 helixtrans-98.1-1-174.528.4-179.9000113.9F51 V68 G69 H71 F72 P76 L77 W78F51-I74 HydrophobicContact CB-CG2 4.22Å; F51-I74 HydrophobicContact CD2-CG2 4.46Å; V68-I74 HydrophobicContact CG1-CD1 3.8Å; V68-I74 HydrophobicContact CG1-CG1 4.3Å; G69-I74 WeakPolarHBondContact O-CD1 2.99Å; H71-I74 HydrophobicContact CB-CD1 4.4Å; H71-I74 HydrophobicContact CB-CG1 4.43Å; H71-I74 WeakPolarHBondContact O-CG1 3.35Å; H71-I74 PolarHBondContact O-N 2.94Å; F72-I74 VanDerWaalsContact C-N 3.28Å; F72-I74 PolarHBondContact O-N 3.26Å; I74-P76 VanDerWaalsContact C-CD 3.47Å; I74-L77 HydrophobicContact CG2-CD1 4.05Å; I74-L77 PolarHBondContact O-N 3.23Å; I74-W78 PolarHBondContact O-NE1 2.73Å
75R57Low58.7Low95 Ų9577.2 Ų77.236%0.35839%0.385SS..THydrogen-bonded Turntrans-61.2-36.5179.6-66.9-178.7179.9-1270.7115.4F72 L77 W78F72-R75 VanDerWaalsContact CD1-NE 3.34Å; F72-R75 VanDerWaalsContact CE1-CZ 3.49Å; F72-R75 VanDerWaalsContact CE1-NH2 3.27Å; R75-L77 VanDerWaalsContact C-N 3.29Å; R75-L77 PolarHBondContact O-N 3.29Å; R75-W78 WeakPolarHBondContact O-CB 3.08Å; R75-W78 PolarHBondContact O-N 2.99Å
76P63.3Low58.8Low88 Ų8881.4 Ų81.457%0.57140%0.402SS*.THydrogen-bonded Turntrans-64.8-33.8179.4-22.534000113I74 W78 Q79I74-P76 VanDerWaalsContact C-CD 3.47Å; P76-W78 PolarHBondContact O-N 2.87Å; P76-Q79 PolarHBondContact O-N 2.82Å
77L59.3Low58.9Low80 Ų8080.8 Ų80.842%0.41940%0.402SS..THydrogen-bonded Turntrans-67.3-22.4-179.1-77.9148.1000112.7I74 R75 Q79 H80 F81I74-L77 HydrophobicContact CG2-CD1 4.05Å; I74-L77 PolarHBondContact O-N 3.23Å; R75-L77 VanDerWaalsContact C-N 3.29Å; R75-L77 PolarHBondContact O-N 3.29Å; L77-Q79 PolarHBondContact O-N 3.32Å; L77-H80 PolarHBondContact O-N 3.1Å; L77-F81 HydrophobicContact CB-CD2 4.49Å; L77-F81 HydrophobicContact CB-CE2 3.91Å; L77-F81 HydrophobicContact CD2-CE2 4.47Å; L77-F81 WeakPolarHBondContact O-CD2 3.34Å; L77-F81 WeakPolarHBondContact O-CE2 3.06Å
78W62Low59.2Low40 Ų4078.4 Ų78.415%0.15239%0.39CS..Hα-helixtrans-59.5-34.7-178.6-69.118.8000112.5L23 V68 I74 R75 P76 H80 F81 F82 F113L23-W78 HydrophobicContact CD2-CH2 4.07Å; L23-W78 HydrophobicContact CD2-CZ2 4.27Å; V68-W78 HydrophobicContact CB-CZ2 4.28Å; V68-W78 HydrophobicContact CG1-CZ2 3.59Å; V68-W78 VanDerWaalsContact CG1-NE1 3.28Å; I74-W78 PolarHBondContact O-NE1 2.73Å; R75-W78 WeakPolarHBondContact O-CB 3.08Å; R75-W78 PolarHBondContact O-N 2.99Å; P76-W78 PolarHBondContact O-N 2.87Å; W78-H80 PolarHBondContact O-N 2.81Å; W78-F81 PolarHBondContact O-N 2.82Å; W78-F82 HydrophobicContact CB-CD2 4.04Å; W78-F82 HydrophobicContact CB-CE2 3.85Å; W78-F82 HydrophobicContact CD2-CE2 4.43Å; W78-F82 AromaticContact CE3-CE2 3.94Å; W78-F82 HydrophobicContact CE3-CE2 3.94Å; W78-F82 HydrophobicContact CE3-CZ 4.43Å; W78-F82 HydrophobicContact CG-CE2 4.46Å; W78-F82 WeakPolarHBondContact O-CD2 3.2Å; W78-F82 PolarHBondContact O-N 3.33Å; W78-F113 HydrophobicContact CH2-CZ 4.06Å; W78-F113 HydrophobicContact CZ3-CE2 4.49Å; W78-F113 HydrophobicContact CZ3-CZ 4.14Å
79Q59.6Low59.3Low135 Ų13578 Ų7863%0.63139%0.388SS*.Hα-helixtrans-61.6-35.1-177.3-63.8-174.92.400112P76 L77 Q83P76-Q79 PolarHBondContact O-N 2.82Å; L77-Q79 PolarHBondContact O-N 3.32Å; Q79-Q83 WeakPolarHBondContact O-CG 3.29Å; Q79-Q83 PolarHBondContact O-NE2 2.8Å
80H61.3Low59.6Low130 Ų13077.9 Ų77.960%0.60238%0.382SS*.Hα-helixtrans-73.1-28.7176.4-66.9-71.9000112.6L77 W78L77-H80 PolarHBondContact O-N 3.1Å; W78-H80 PolarHBondContact O-N 2.81Å
81F57.6Low59.8Low46 Ų4673.8 Ų73.820%0.20235%0.352CS..Hα-helixtrans-83.7-31.5-179.1-60.5-56.4000113.1F51 W66 L77 W78 Q83 T85F51-F81 AromaticContact CE1-CE2 3.79Å; F51-F81 HydrophobicContact CE1-CE2 3.79Å; F51-F81 AromaticContact CE1-CZ 3.77Å; F51-F81 HydrophobicContact CE1-CZ 3.77Å; F51-F81 HydrophobicContact CE2-CD2 4.33Å; F51-F81 AromaticContact CE2-CE2 3.98Å; F51-F81 HydrophobicContact CE2-CE2 3.98Å; F51-F81 AromaticContact CZ-CD2 3.74Å; F51-F81 HydrophobicContact CZ-CD2 3.74Å; F51-F81 HydrophobicContact CZ-CE1 4.41Å; F51-F81 AromaticContact CZ-CE2 3.15Å; F51-F81 HydrophobicContact CZ-CE2 3.15Å; F51-F81 AromaticContact CZ-CZ 3.56Å; F51-F81 HydrophobicContact CZ-CZ 3.56Å; W66-F81 HydrophobicContact CD2-CD1 4.37Å; W66-F81 HydrophobicContact CD2-CG 4.48Å; W66-F81 AromaticContact CE3-CD1 3.91Å; W66-F81 HydrophobicContact CE3-CD1 3.91Å; W66-F81 HydrophobicContact CE3-CD2 4.38Å; W66-F81 HydrophobicContact CE3-CE1 4.02Å; W66-F81 HydrophobicContact CE3-CE2 4.44Å; W66-F81 HydrophobicContact CE3-CG 4.13Å; W66-F81 HydrophobicContact CE3-CZ 4.27Å; W66-F81 AromaticContact CH2-CD1 3.15Å; W66-F81 HydrophobicContact CH2-CD1 3.15Å; W66-F81 AromaticContact CH2-CE1 3.11Å; W66-F81 HydrophobicContact CH2-CE1 3.11Å; W66-F81 HydrophobicContact CH2-CG 4.14Å; W66-F81 HydrophobicContact CH2-CZ 4.03Å; W66-F81 AromaticContact CZ2-CD1 3.66Å; W66-F81 HydrophobicContact CZ2-CD1 3.66Å; W66-F81 HydrophobicContact CZ2-CE1 4.09Å; W66-F81 HydrophobicContact CZ2-CG 4.46Å; W66-F81 AromaticContact CZ3-CD1 3.27Å; W66-F81 HydrophobicContact CZ3-CD1 3.27Å; W66-F81 HydrophobicContact CZ3-CD2 4.28Å; W66-F81 AromaticContact CZ3-CE1 3.04Å; W66-F81 HydrophobicContact CZ3-CE1 3.04Å; W66-F81 HydrophobicContact CZ3-CE2 4.08Å; W66-F81 AromaticContact CZ3-CG 3.93Å; W66-F81 HydrophobicContact CZ3-CG 3.93Å; W66-F81 AromaticContact CZ3-CZ 3.48Å; W66-F81 HydrophobicContact CZ3-CZ 3.48Å; W66-F81 VanDerWaalsContact CZ3-CZ 3.48Å; L77-F81 HydrophobicContact CB-CD2 4.49Å; L77-F81 HydrophobicContact CB-CE2 3.91Å; L77-F81 HydrophobicContact CD2-CE2 4.47Å; L77-F81 WeakPolarHBondContact O-CD2 3.34Å; L77-F81 WeakPolarHBondContact O-CE2 3.06Å; W78-F81 PolarHBondContact O-N 2.82Å; F81-Q83 VanDerWaalsContact C-N 3.31Å; F81-Q83 PolarHBondContact O-N 2.87Å; F81-T85 PolarHBondContact O-OG1 3.39Å
82F58.3Low60.1Low43 Ų4371.4 Ų71.419%0.18934%0.344CS..Hα-helixtrans-67.5-29.4176.1-79.4-63.5000113.4L21 W78 N84 T85 L101L21-F82 HydrophobicContact CD2-CD1 4.46Å; L21-F82 HydrophobicContact CD2-CE1 3.53Å; L21-F82 HydrophobicContact CD2-CE2 4.36Å; L21-F82 HydrophobicContact CD2-CZ 3.46Å; L21-F82 VanDerWaalsContact CD2-CZ 3.46Å; W78-F82 HydrophobicContact CB-CD2 4.04Å; W78-F82 HydrophobicContact CB-CE2 3.85Å; W78-F82 HydrophobicContact CD2-CE2 4.43Å; W78-F82 AromaticContact CE3-CE2 3.94Å; W78-F82 HydrophobicContact CE3-CE2 3.94Å; W78-F82 HydrophobicContact CE3-CZ 4.43Å; W78-F82 HydrophobicContact CG-CE2 4.46Å; W78-F82 WeakPolarHBondContact O-CD2 3.2Å; W78-F82 PolarHBondContact O-N 3.33Å; F82-N84 PolarHBondContact O-N 2.83Å; F82-T85 PolarHBondContact O-N 3.48Å; F82-T85 VanDerWaalsContact O-N 3.16Å; F82-L101 HydrophobicContact CD1-CD1 3.69Å; F82-L101 HydrophobicContact CE1-CD1 3.63Å
83Q57.2Low59.8Low139 Ų13973.8 Ų73.865%0.6536%0.357SS*.THydrogen-bonded Turntrans-61-12.9-174.5-76.4172.220.500115.1Q79 F81Q79-Q83 WeakPolarHBondContact O-CG 3.29Å; Q79-Q83 PolarHBondContact O-NE2 2.8Å; F81-Q83 VanDerWaalsContact C-N 3.31Å; F81-Q83 PolarHBondContact O-N 2.87Å
84N55.3Low59.4Low104 Ų10470 Ų7056%0.55636%0.358SS*.THydrogen-bonded Turntrans-136.415.5178.2-73.3-59.5000113.4F82F82-N84 PolarHBondContact O-N 2.83Å
85T59.7Low59Low9 Ų970 Ų706%0.05537%0.366CS..EExtended strand (participates in β ladder)trans-98.2120.9-178.7-65.90000108.9R19 L21 F81 F82 G87 L101R19-T85 WeakPolarHBondContact O-CG2 3.27Å; L21-T85 HydrophobicContact CB-CG2 3.98Å; F81-T85 PolarHBondContact O-OG1 3.39Å; F82-T85 PolarHBondContact O-N 3.48Å; F82-T85 VanDerWaalsContact O-N 3.16Å; T85-G87 WeakPolarHBondContact CG2-O 3Å; T85-L101 HydrophobicContact CG2-CD1 4.11Å
86K63.5Low59Low103 Ų10368.5 Ų68.545%0.44837%0.367SS..EExtended strand (participates in β ladder)trans-78.6-28.8-179.8-67.4-160.3173.8-165.90112.4M18 R19 L101 G102M18-K86 HydrophobicContact CG-CB 4.24Å; M18-K86 HydrophobicContact CG-CD 4.47Å; M18-K86 HydrophobicContact SD-CB 4.29Å; M18-K86 HydrophobicContact SD-CD 4.41Å; R19-K86 PolarHBondContact O-N 3.46Å; K86-L101 PolarHBondContact O-N 3.32Å; K86-G102 PolarHBondContact O-N 3.27Å
87G65.1Low58.9Low9 Ų969.6 Ų69.69%0.09337%0.365CS..EExtended strand (participates in β ladder)trans-151.3150-179.400000111.9I20 L21 T85 R99I20-G87 WeakPolarHBondContact CA-O 3.44Å; L21-G87 PolarHBondContact N-O 3.37Å; T85-G87 WeakPolarHBondContact CG2-O 3Å; G87-R99 CarbonylContact C-O 3.53Å; G87-R99 WeakPolarHBondContact CA-O 3.45Å
88S66.1Low58.7Low7 Ų769 Ų695%0.04936%0.357CS..EExtended strand (participates in β ladder)trans-112.2143.1168.655.50000109.7L21 R99 L101L21-S88 CarbonylContact O-C 3.35Å; L21-S88 WeakPolarHBondContact O-CA 3.5Å; S88-R99 PolarHBondContact N-O 3.21Å; S88-R99 PolarHBondContact O-N 3.22Å; S88-L101 WeakPolarHBondContact OG-CD1 3.32Å
89C64.6Low58.6Low2 Ų274 Ų741%0.01438%0.376CS..EExtended strand (participates in β ladder)trans-116.1124171.8-179.30000107I20 L21 I22 L23 V96 Q97 W98I20-C89 HydrophobicContact CG2-CB 4.36Å; L21-C89 PolarHBondContact O-N 3.34Å; I22-C89 CarbonylContact C-O 3.54Å; I22-C89 VanDerWaalsContact CA-O 3.26Å; I22-C89 WeakPolarHBondContact CA-O 3.3Å; I22-C89 HydrophobicContact CG1-CB 4.34Å; L23-C89 PolarHBondContact N-O 2.97Å; C89-V96 WeakPolarHBondContact SG-CG1 3.36Å; C89-Q97 CarbonylContact C-O 3.58Å; C89-Q97 WeakPolarHBondContact CA-O 3.26Å; C89-W98 HydrophobicContact CB-CD2 3.97Å; C89-W98 HydrophobicContact CB-CE3 3.95Å; C89-W98 HydrophobicContact CB-CH2 3.95Å; C89-W98 HydrophobicContact CB-CZ2 3.94Å; C89-W98 HydrophobicContact CB-CZ3 3.94Å
90S62Low58.6Low29 Ų2972.9 Ų72.920%0.20337%0.374CS..EExtended strand (participates in β ladder)trans-102.6129.6168-690000108.4L23 Q97L23-S90 CarbonylContact O-C 3.47Å; L23-S90 VanDerWaalsContact O-CA 3.27Å; L23-S90 WeakPolarHBondContact O-CA 3.5Å; S90-Q97 PolarHBondContact N-O 2.85Å; S90-Q97 PolarHBondContact O-N 2.97Å
91I59.1Low58.3Low10 Ų1068.3 Ų68.35%0.05135%0.354CS..EExtended strand (participates in β ladder)trans-110.6124.5172.5-50.4173.5000107.1I22 L23 S24 A28 I33 V96I22-I91 HydrophobicContact CG2-CD1 3.68Å; I22-I91 HydrophobicContact CG2-CG1 4.09Å; L23-I91 PolarHBondContact O-N 3.3Å; S24-I91 VanDerWaalsContact CA-O 3.29Å; S24-I91 WeakPolarHBondContact CA-O 3.21Å; S24-I91 WeakPolarHBondContact CB-O 3.26Å; A28-I91 HydrophobicContact CB-CB 4.5Å; A28-I91 HydrophobicContact CB-CG2 4.03Å; I33-I91 HydrophobicContact CD1-CD1 3.9Å; I91-V96 HydrophobicContact CG1-CG1 4.45Å; I91-V96 HydrophobicContact CG1-CG2 4.36Å; I91-V96 HydrophobicContact CG2-CG2 4.39Å
92D60.5Low57.9Low77 Ų7768.6 Ų68.641%0.41237%0.37SS..EExtended strand (participates in β ladder)trans-124.8180172.967.712.1000109.9A94 G95D92-A94 PolarHBondContact O-N 3.05Å; D92-A94 VanDerWaalsContact OD1-C 3.29Å; D92-A94 VanDerWaalsContact OD1-CA 3.26Å; D92-A94 WeakPolarHBondContact OD1-CA 3.09Å; D92-A94 WeakPolarHBondContact OD1-CB 3.39Å; D92-A94 PolarHBondContact OD1-N 3.5Å; D92-G95 PolarHBondContact N-O 3.43Å; D92-G95 PolarHBondContact O-N 3.48Å; D92-G95 PolarHBondContact OD1-N 3.19Å
93Q45.9Very low57.2Low197 Ų19771.1 Ų71.192%0.92139%0.393SS*.THydrogen-bonded Turntrans-67-15.7177.7-162.5171.9-9.200112.4
94A50Low56.4Low95 Ų9568.9 Ų68.979%0.78539%0.385SS*.THydrogen-bonded Turntrans-91.2-16.7178.700000113.1D92D92-A94 PolarHBondContact O-N 3.05Å; D92-A94 VanDerWaalsContact OD1-C 3.29Å; D92-A94 VanDerWaalsContact OD1-CA 3.26Å; D92-A94 WeakPolarHBondContact OD1-CA 3.09Å; D92-A94 WeakPolarHBondContact OD1-CB 3.39Å; D92-A94 PolarHBondContact OD1-N 3.5Å
95G52.7Low55.7Low32 Ų3272.9 Ų72.933%0.3340%0.401SS..EExtended strand (participates in β ladder)trans148-154.9174.900000114.8D92D92-G95 PolarHBondContact N-O 3.43Å; D92-G95 PolarHBondContact O-N 3.48Å; D92-G95 PolarHBondContact OD1-N 3.19Å
96V57Low54.4Low63 Ų6382.7 Ų82.738%0.38244%0.437SS..EExtended strand (participates in β ladder)trans-111.8117.2-177.3-177.30000109.2C89 I91 W98C89-V96 WeakPolarHBondContact SG-CG1 3.36Å; I91-V96 HydrophobicContact CG1-CG1 4.45Å; I91-V96 HydrophobicContact CG1-CG2 4.36Å; I91-V96 HydrophobicContact CG2-CG2 4.39Å; V96-W98 VanDerWaalsContact CG1-NE1 3.32Å
97Q60.2Low52.9Low112 Ų11283.9 Ų83.952%0.52346%0.455SS..EExtended strand (participates in β ladder)trans-111.4124.1178.4-170.7177.79.200111.2C89 S90C89-Q97 CarbonylContact C-O 3.58Å; C89-Q97 WeakPolarHBondContact CA-O 3.26Å; S90-Q97 PolarHBondContact N-O 2.85Å; S90-Q97 PolarHBondContact O-N 2.97Å
98W54.8Low51.5Low66 Ų6687.3 Ų87.325%0.2547%0.471CS..EExtended strand (participates in β ladder)trans-100.3139.8176.6-72.479.7000111.7L8 L12 I20 C89 V96L8-W98 HydrophobicContact CD2-CD2 4.08Å; L8-W98 HydrophobicContact CD2-CG 3.85Å; L8-W98 HydrophobicContact CD2-CZ2 4.28Å; L12-W98 HydrophobicContact CD1-CE3 4.23Å; L12-W98 HydrophobicContact CD1-CH2 3.73Å; L12-W98 HydrophobicContact CD1-CZ2 4.23Å; L12-W98 HydrophobicContact CD1-CZ3 3.74Å; I20-W98 HydrophobicContact CD1-CH2 3.92Å; I20-W98 HydrophobicContact CD1-CZ3 3.95Å; I20-W98 HydrophobicContact CG1-CZ3 4.47Å; I20-W98 HydrophobicContact CG2-CH2 3.69Å; I20-W98 HydrophobicContact CG2-CZ3 3.5Å; C89-W98 HydrophobicContact CB-CD2 3.97Å; C89-W98 HydrophobicContact CB-CE3 3.95Å; C89-W98 HydrophobicContact CB-CH2 3.95Å; C89-W98 HydrophobicContact CB-CZ2 3.94Å; C89-W98 HydrophobicContact CB-CZ3 3.94Å; V96-W98 VanDerWaalsContact CG1-NE1 3.32Å
99R61.3Low49.7Very low145 Ų14592.4 Ų92.455%0.54750%0.503SS..EExtended strand (participates in β ladder)trans-129.2120.4168.4-85.4-160.6-85.4-149-7110G87 S88 L101G87-R99 CarbonylContact C-O 3.53Å; G87-R99 WeakPolarHBondContact CA-O 3.45Å; S88-R99 PolarHBondContact N-O 3.21Å; S88-R99 PolarHBondContact O-N 3.22Å; R99-L101 PolarHBondContact O-N 3.27Å
100D57.7Low48Very low113 Ų113101.9 Ų101.960%0.60455%0.545SS*.EExtended strand (participates in β ladder)trans-67.4127.5165.9-171.5-0.8000108.8G102D100-G102 PolarHBondContact OD1-N 2.76Å
101L55.4Low46.5Very low33 Ų33104.5 Ų104.517%0.17356%0.556CS.*  trans-107.6-8.8179.3-72.3167.1000111.7F82 T85 K86 S88 R99 S103 L104F82-L101 HydrophobicContact CD1-CD1 3.69Å; F82-L101 HydrophobicContact CE1-CD1 3.63Å; T85-L101 HydrophobicContact CG2-CD1 4.11Å; K86-L101 PolarHBondContact O-N 3.32Å; S88-L101 WeakPolarHBondContact OG-CD1 3.32Å; R99-L101 PolarHBondContact O-N 3.27Å; L101-S103 PolarHBondContact O-N 3.34Å; L101-L104 PolarHBondContact O-N 3.3Å
102G49.4Very low44.8Very low53 Ų53115 Ų11555%0.54660%0.595SS.*THydrogen-bonded Turntrans-61-22.3175.500000113.5K86 D100K86-G102 PolarHBondContact O-N 3.27Å; D100-G102 PolarHBondContact OD1-N 2.76Å
103S43.2Very low43.1Very low96 Ų96117.2 Ų117.267%0.67160%0.601SS**THydrogen-bonded Turntrans-89.1-8176.260.40000114.4L101 Q105L101-S103 PolarHBondContact O-N 3.34Å; S103-Q105 PolarHBondContact O-N 3Å
104L41.8Very low42Very low91 Ų91112.5 Ų112.548%0.47659%0.586SS.*  trans-103.942.9-169.9-130116.6000112.6L101 R106 L108L101-L104 PolarHBondContact O-N 3.3Å; L104-R106 PolarHBondContact O-N 3.4Å; L104-L108 HydrophobicContact CD2-CD2 3.42Å; L104-L108 VanDerWaalsContact CD2-CD2 3.42Å
105Q39.7Very low40.8Very low189 Ų189112.8 Ų112.888%0.88358%0.582SS**  trans-78.264.5171.6-111.9170.34.600110.9S103S103-Q105 PolarHBondContact O-N 3Å
106R32.3Very low39.4Very low215 Ų215119.5 Ų119.581%0.81160%0.604SS**SBendtrans-141.1145.3160.9-70.2-167.1-177-168.61.3108.3L104 L108L104-R106 PolarHBondContact O-N 3.4Å; R106-L108 PolarHBondContact O-N 3.04Å
107P33Very low38.1Very low128 Ų128122.2 Ų122.283%0.83162%0.621SS**PPolyproline II helixtrans-54.1120.6178.422.8-31.9000108.4P109P107-P109 WeakPolarHBondContact O-CD 3.32Å; P107-P109 VanDerWaalsContact O-N 3.13Å
108L35.3Very low36.4Very low80 Ų80122 Ų12242%0.41963%0.632SS.*PPolyproline II helixtrans-54.2118.3-171.6-78.2160.7000109.8L104 R106 K110 L111L104-L108 HydrophobicContact CD2-CD2 3.42Å; L104-L108 VanDerWaalsContact CD2-CD2 3.42Å; R106-L108 PolarHBondContact O-N 3.04Å; L108-K110 PolarHBondContact O-N 3.33Å; L108-L111 HydrophobicContact CB-CD1 4.44Å; L108-L111 HydrophobicContact CD1-CD1 3.86Å; L108-L111 HydrophobicContact CD2-CD1 3.72Å; L108-L111 HydrophobicContact CG-CD1 4.22Å
109P28Very low35.3Very low114 Ų114124.3 Ų124.374%0.7466%0.656SS**PPolyproline II helixtrans-62126161.624.3-25.9000106.4P107 L111P107-P109 WeakPolarHBondContact O-CD 3.32Å; P107-P109 VanDerWaalsContact O-N 3.13Å; P109-L111 PolarHBondContact O-N 2.77Å
110K29.1Very low33.8Very low202 Ų202125.7 Ų125.788%0.87867%0.668SS**  trans-16.6104.3179.7-65.5175.8180175.30111.8L108 R112L108-K110 PolarHBondContact O-N 3.33Å; K110-R112 VanDerWaalsContact C-N 3.33Å; K110-R112 PolarHBondContact O-N 3.04Å
111L30.6Very low32.6Very low83 Ų83127.3 Ų127.344%0.43568%0.682SS.*  trans-54.198.9175.2-114.1101.8000108.4L108 P109 F113L108-L111 HydrophobicContact CB-CD1 4.44Å; L108-L111 HydrophobicContact CD1-CD1 3.86Å; L108-L111 HydrophobicContact CD2-CD1 3.72Å; L108-L111 HydrophobicContact CG-CD1 4.22Å; P109-L111 PolarHBondContact O-N 2.77Å; L111-F113 HydrophobicContact CD2-CE2 4.19Å; L111-F113 HydrophobicContact CD2-CZ 4.34Å; L111-F113 PolarHBondContact O-N 3.22Å
112R23.6Very low31.3Very low231 Ų231135.6 Ų135.687%0.87272%0.716SS**  trans-80.8105168.9-127.5-175.5-74.9-152.50.9105.2K110 V114K110-R112 VanDerWaalsContact C-N 3.33Å; K110-R112 PolarHBondContact O-N 3.04Å; R112-V114 VanDerWaalsContact C-N 3.31Å; R112-V114 PolarHBondContact O-N 3.04Å
113F23.8Very low30.4Very low123 Ų123140.4 Ų140.454%0.53973%0.729SS.*  trans-65.697.7166.2-80.5-94.4000106.9W78 L111 S115W78-F113 HydrophobicContact CH2-CZ 4.06Å; W78-F113 HydrophobicContact CZ3-CE2 4.49Å; W78-F113 HydrophobicContact CZ3-CZ 4.14Å; L111-F113 HydrophobicContact CD2-CE2 4.19Å; L111-F113 HydrophobicContact CD2-CZ 4.34Å; L111-F113 PolarHBondContact O-N 3.22Å; F113-S115 PolarHBondContact O-N 3.07Å
114V23.3Very low29.7Very low99 Ų99144.3 Ų144.360%0.674%0.741SS**  trans-78.898.9164.7-177.40000105.7R112 H116R112-V114 VanDerWaalsContact C-N 3.31Å; R112-V114 PolarHBondContact O-N 3.04Å; V114-H116 VanDerWaalsContact C-N 3.31Å; V114-H116 VanDerWaalsContact CG1-CD2 3.49Å; V114-H116 WeakPolarHBondContact CG1-CD2 3.49Å; V114-H116 PolarHBondContact O-N 3.25Å; V114-H116 VanDerWaalsContact O-N 3.07Å
115S24.7Very low29Very low101 Ų101147.7 Ų147.771%0.70675%0.754SS**  trans-67.296.3158.4510000106.9F113 T117F113-S115 PolarHBondContact O-N 3.07Å; S115-T117 VanDerWaalsContact C-N 3.28Å; S115-T117 PolarHBondContact O-N 2.96Å
116H24.3Very low28.4Very low173 Ų173145.2 Ų145.280%0.80175%0.752SS**  trans-72.191.5163.8-89.9-75.7000107.6V114V114-H116 VanDerWaalsContact C-N 3.31Å; V114-H116 VanDerWaalsContact CG1-CD2 3.49Å; V114-H116 WeakPolarHBondContact CG1-CD2 3.49Å; V114-H116 PolarHBondContact O-N 3.25Å; V114-H116 VanDerWaalsContact O-N 3.07Å
117T28.3Very low28.1Very low120 Ų120146.3 Ų146.374%0.73676%0.756SS**  trans-73.2122.815246.10000106.8S115S115-T117 VanDerWaalsContact C-N 3.28Å; S115-T117 PolarHBondContact O-N 2.96Å
118S24.7Very low28.4Very low107 Ų107145.5 Ų145.575%0.74875%0.751SS**  trans-58.9132.9174.2-174.80000110H120S118-H120 PolarHBondContact O-N 3.25Å
119P32.6Very low28Very low115 Ų115153.6 Ų153.675%0.74778%0.776SS**  trans-90.881-176.435.1-31.3000110.3
120H30Very low28.1Very low174 Ų174154.5 Ų154.581%0.80678%0.779SS**  trans-15287.3161.4-98.2-77000110.8S118S118-H120 PolarHBondContact O-N 3.25Å
121T30.8Very low28.1Very low146 Ų146149.7 Ų149.790%0.89678%0.777SS**  trans-169.8108.6135.220.70000108L123T121-L123 PolarHBondContact O-N 3.44Å
122K30Very low28Very low207 Ų207150.6 Ų150.690%0.979%0.791SS**  trans-65.3124.9172.3-81.9176.2174.91770109.4
123L30.3Very low28Very low155 Ų155151.3 Ų151.381%0.81279%0.793SS**  trans24.7111.1136.9-73.1152.6000117.2T121T121-L123 PolarHBondContact O-N 3.44Å
124L27.4Very low28.1Very low177 Ų177153.9 Ų153.993%0.92780%0.804SS**  trans-132.5134.4131.5-102.4162000109.8
125H28.3Very low28.4Very low163 Ų163155.4 Ų155.476%0.75582%0.818SS**  trans-76.8138.3-172.8-155.466000109.9
126T26Very low28.4Very low136 Ų136159.1 Ų159.183%0.83482%0.822SS**  trans159.9138.113043.10000112.5
127R26.7Very low29.2Very low238 Ų238160.1 Ų160.190%0.89882%0.824SS**  trans-75.8-166.7178.9-60.3179.8180-177.60.1111.4
128P38.3Very low29.2Very low111 Ų111165.9 Ų165.972%0.72183%0.833SS**  -119.4163.9-60.130.7-14.6000110.7
129R27.4Very low29.7Very low251 Ų251164 Ų16495%0.94783%0.83SS**  trans-123.7112.3161.3-87.8-169-178.8-168.41.6111.4
130T31.2Very low30Very low132 Ų132168.6 Ų168.681%0.8184%0.839SS**  trans-69.9151.8161.925.70000111.4
131A28.2Very low30.7Very low101 Ų101171.6 Ų171.684%0.83586%0.858SS**  trans68.7142.1160.300000117.5
132S27.3Very low30.7Very low103 Ų103172.9 Ų172.972%0.7286%0.856SS**  cis-178.4144.2-5.2179.70000106.8
133R24.6Very low30.7Very low245 Ų245171.1 Ų171.193%0.92585%0.854SS**  trans178.786.9150-99.1166.7-165.6-137.64.8107.6
134K25.6Very low30.7Very low177 Ų177172 Ų17277%0.7786%0.856SS**  69.787.8101.6-89.4-176.8175.2178.10114
135C29Very low30.9Very low132 Ų132171.7 Ų171.789%0.89285%0.852SS**  trans-66.9136.8145.3-66.10000108.5
136F26.3Very low31.1Very low179 Ų179172.3 Ų172.379%0.78586%0.858SS**  trans-128.5127.8166.8-133-90.8000110
137F39.8Very low31.4Very low193 Ų193174.7 Ų174.785%0.84686%0.86SS**  trans-82.6147.3174.6-109.7-96.6000111.3
138R29.4Very low31.7Very low242 Ų242170.1 Ų170.191%0.91386%0.857SS**  trans177.2128.8142.8-115.8158.9144.7167.2-9.5107.3
139G34.6Very low31.2Very low68 Ų68174.7 Ų174.770%0.70187%0.867SS**  cis123.3143.816.100000109.7
140K38.4Very low31.6Very low211 Ų211168.3 Ų168.392%0.91786%0.861SS**  trans86.9131.7171.2-82.7-177.7176.2-177.40117
141I44.2Very low31.6Very low237 Ų237171.6 Ų171.6100%1.21587%0.865SS**  cis-128.808.2-80.7148.2000109

Retrieved 141 of 141 residues in 218.3 ms (Link to these results)

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