A0A0D9RCU8_CHLSB Loading...

Nucleoside-triphosphatase, cancer-related

AlphaFold DB , UniProt , Accession A0A0D9RCU8, Species CHLSB (Chlorocebus sabaeus, Green monkey), Gene NTPCR, Length 190 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
1M49.8Very low78.2Confident195 Ų19551.5 Ų51.596%0.96128%0.278SS*.  0141.30-75.8-172174.300107.6R3M1-R3 PolarHBondContact O-N 3.27Å
2A56.7Low77.8Confident32 Ų3253.8 Ų53.826%0.26432%0.322SS..  trans-61.8124.6178.600000109.6D163 K165 S188A2-D163 CarbonylContact C-O 3.53Å; A2-D163 WeakPolarHBondContact CA-O 3.23Å; A2-K165 HydrophobicContact CB-CB 3.86Å; A2-S188 PolarHBondContact O-OG 3.23Å
3R75.4Confident78Confident134 Ų13450.3 Ų50.351%0.50630%0.301SS..  trans-102.9-28.1179.5-76.6-177.2167.2174.5-2.4112.2M1 I139 D163M1-R3 PolarHBondContact O-N 3.27Å; R3-I139 WeakPolarHBondContact O-CG1 3.19Å; R3-I139 VanDerWaalsContact O-CG2 3.26Å; R3-I139 WeakPolarHBondContact O-CG2 3.34Å; R3-D163 PolarHBondContact N-O 2.86Å
4H85.3Confident78.1Confident5 Ų547.9 Ų47.92%0.02329%0.292CS..EExtended strand (participates in β ladder)trans-115.7147.7-178.3-44.8-78.9000110.5F6 L133 T138 I140 D163 V164 K165H4-F6 HydrophobicContact CB-CD2 4.41Å; H4-F6 HydrophobicContact CB-CE2 3.88Å; H4-L133 HydrophobicContact CB-CD2 4.43Å; H4-T138 PolarHBondContact CE1-O 3.3Å; H4-T138 VanDerWaalsContact CE1-O 3.3Å; H4-I140 HydrophobicContact CB-CB 4.26Å; H4-I140 PolarHBondContact ND1-N 2.84Å; H4-D163 PolarHBondContact N-O 2.77Å; H4-V164 HydrophobicContact CB-CG2 4.14Å; H4-V164 CarbonylContact O-C 3.45Å; H4-V164 WeakPolarHBondContact O-CA 3.41Å; H4-K165 PolarHBondContact O-N 3.34Å
5V88.2Confident78.5Confident2 Ų245.8 Ų45.81%0.01228%0.277CS..EExtended strand (participates in β ladder)trans-122.1125.3-177.3-178.70000109I140 L141 G142 K165 F167 I181 C184 V185V5-I140 PolarHBondContact N-O 3.13Å; V5-I140 VanDerWaalsContact O-O 3.06Å; V5-L141 HydrophobicContact CB-CD1 3.86Å; V5-L141 HydrophobicContact CG1-CD1 3.79Å; V5-L141 VanDerWaalsContact O-CA 3.28Å; V5-L141 WeakPolarHBondContact O-CA 3.33Å; V5-G142 PolarHBondContact O-N 2.78Å; V5-K165 CarbonylContact C-O 3.5Å; V5-K165 WeakPolarHBondContact CA-O 3.48Å; V5-F167 HydrophobicContact CG1-CD2 3.57Å; V5-F167 HydrophobicContact CG1-CE2 3.6Å; V5-I181 HydrophobicContact CG1-CG1 4.44Å; V5-I181 HydrophobicContact CG1-CG2 4.14Å; V5-C184 HydrophobicContact CG2-CB 4.09Å; V5-V185 HydrophobicContact CB-CG2 4.44Å; V5-V185 HydrophobicContact CG2-CG2 3.92Å
6F89.1Confident78.8Confident0 Ų045 Ų450%027%0.273CS..EExtended strand (participates in β ladder)trans-123.1140.2174.8-72.3-91.5000110.6H4 I115 I140 G142 I144 I158 V164 K165 V166 F167H4-F6 HydrophobicContact CB-CD2 4.41Å; H4-F6 HydrophobicContact CB-CE2 3.88Å; F6-I115 HydrophobicContact CE1-CD1 3.65Å; F6-I115 HydrophobicContact CZ-CD1 4.41Å; F6-I140 HydrophobicContact CE1-CG2 4.04Å; F6-I140 HydrophobicContact CE2-CB 4.49Å; F6-I140 HydrophobicContact CE2-CG2 4.31Å; F6-I140 HydrophobicContact CZ-CB 4.2Å; F6-I140 HydrophobicContact CZ-CG2 3.61Å; F6-G142 CarbonylContact C-O 3.54Å; F6-G142 WeakPolarHBondContact CA-O 3.2Å; F6-I144 HydrophobicContact CB-CD1 4.19Å; F6-I144 HydrophobicContact CB-CG1 4.25Å; F6-I144 HydrophobicContact CD1-CG2 3.76Å; F6-I144 HydrophobicContact CE1-CG2 4.35Å; F6-I144 HydrophobicContact CG-CG2 4.47Å; F6-I158 HydrophobicContact CD1-CG2 4.25Å; F6-I158 HydrophobicContact CD2-CG2 3.62Å; F6-I158 HydrophobicContact CE1-CD1 4.27Å; F6-I158 HydrophobicContact CE1-CG2 4.03Å; F6-I158 HydrophobicContact CE2-CG2 3.33Å; F6-I158 HydrophobicContact CG-CG2 4.04Å; F6-I158 HydrophobicContact CZ-CD1 4.1Å; F6-I158 HydrophobicContact CZ-CG2 3.54Å; F6-V164 HydrophobicContact CD2-CG1 3.42Å; F6-V164 VanDerWaalsContact CD2-CG1 3.42Å; F6-V164 HydrophobicContact CE2-CG1 4Å; F6-V164 HydrophobicContact CE2-CG2 4.32Å; F6-V164 HydrophobicContact CG-CG1 4.36Å; F6-K165 PolarHBondContact N-O 2.97Å; F6-V166 HydrophobicContact CB-CG2 4.45Å; F6-V166 CarbonylContact O-C 3.51Å; F6-V166 VanDerWaalsContact O-CA 3.24Å; F6-V166 WeakPolarHBondContact O-CA 3.36Å; F6-F167 PolarHBondContact O-N 2.74Å
7L88.6Confident79.2Confident1 Ų145.6 Ų45.61%0.00528%0.277CS..EExtended strand (participates in β ladder)trans-103.6131.9172.8-59.194.3000109.5L18 I19 L141 G142 T143 I144 F167 V169 I181L7-L18 HydrophobicContact CD2-CB 4.39Å; L7-L18 HydrophobicContact CD2-CD1 4.22Å; L7-I19 HydrophobicContact CD1-CD1 4.03Å; L7-I19 HydrophobicContact CD1-CG1 3.77Å; L7-L141 HydrophobicContact CD1-CD1 3.91Å; L7-G142 PolarHBondContact N-O 3.08Å; L7-T143 HydrophobicContact CB-CG2 3.75Å; L7-T143 HydrophobicContact CD1-CG2 4.18Å; L7-T143 CarbonylContact O-C 3.49Å; L7-T143 WeakPolarHBondContact O-CA 3.06Å; L7-I144 PolarHBondContact O-N 3.48Å; L7-F167 CarbonylContact C-O 3.47Å; L7-F167 WeakPolarHBondContact CA-O 3.44Å; L7-V169 HydrophobicContact CB-CG2 3.87Å; L7-V169 HydrophobicContact CD2-CG2 3.44Å; L7-V169 VanDerWaalsContact CD2-CG2 3.44Å; L7-V169 HydrophobicContact CG-CG2 4.18Å; L7-I181 HydrophobicContact CD1-CD1 4.4Å; L7-I181 HydrophobicContact CD2-CD1 3.47Å; L7-I181 VanDerWaalsContact CD2-CD1 3.47Å; L7-I181 HydrophobicContact CG-CD1 4.08Å
8T87.9Confident79.6Confident17 Ų1743.4 Ų43.410%0.10426%0.263CS..EExtended strand (participates in β ladder)trans-118.1154.1171.1-164.70000110I144 V166 F167 N168 V169T8-I144 WeakPolarHBondContact CA-O 3.48Å; T8-I144 PolarHBondContact OG1-O 3.29Å; T8-V166 HydrophobicContact CG2-CG1 3.67Å; T8-F167 PolarHBondContact N-O 3.49Å; T8-N168 HydrophobicContact CG2-CB 4.13Å; T8-N168 CarbonylContact O-C 3.55Å; T8-N168 WeakPolarHBondContact O-CA 3.2Å; T8-N168 PolarHBondContact O-OD1 3.46Å; T8-V169 PolarHBondContact O-N 3.35Å
9G84.2Confident79.9Confident1 Ų141.2 Ų41.21%0.0125%0.25CC..EExtended strand (participates in β ladder)trans161.1166.2-179.800000112.4K15G9-K15 PolarHBondContact O-NZ 3.06Å
10P80Confident80.2Confident66 Ų6642.5 Ų42.543%0.42925%0.253SS..  trans-58.9149-177.922.8-30.2000111.7V13 K15P10-V13 HydrophobicContact CG-CB 4.22Å; P10-V13 WeakPolarHBondContact O-CG1 3.11Å; P10-V13 PolarHBondContact O-N 3.47Å; P10-K15 PolarHBondContact O-NZ 3.28Å
11P75.1Confident80.6Confident114 Ų11445 Ų4574%0.7426%0.261SS*.THydrogen-bonded Turntrans-59.1143.4173.826.2-33.6000110.2V13P11-V13 VanDerWaalsContact C-N 3.33Å; P11-V13 PolarHBondContact O-N 2.96Å
12G73.9Confident82.3Confident79 Ų7935.8 Ų35.881%0.81422%0.215SC*.THydrogen-bonded Turntrans77.95.2-179.800000116.3G14G12-G14 PolarHBondContact O-N 3.11Å
13V80.4Confident83.7Confident8 Ų834.4 Ų34.45%0.04820%0.204CC..SBendtrans-72.8-11.4173.873.40000113.5P10 P11 K15 V169 T170 K171P10-V13 HydrophobicContact CG-CB 4.22Å; P10-V13 WeakPolarHBondContact O-CG1 3.11Å; P10-V13 PolarHBondContact O-N 3.47Å; P11-V13 VanDerWaalsContact C-N 3.33Å; P11-V13 PolarHBondContact O-N 2.96Å; V13-K15 HydrophobicContact CG1-CD 4.16Å; V13-K15 HydrophobicContact CG1-CG 3.41Å; V13-K15 VanDerWaalsContact CG1-CG 3.41Å; V13-V169 HydrophobicContact CG1-CB 4.34Å; V13-V169 HydrophobicContact CG1-CG1 4.02Å; V13-V169 HydrophobicContact CG2-CG1 4.17Å; V13-T170 VanDerWaalsContact CG2-C 3.47Å; V13-K171 HydrophobicContact CG2-CG 3.93Å
14G79.3Confident84.2Confident17 Ų1734.3 Ų34.318%0.17521%0.209CC..SBendtrans91.331.7-17900000114.2G12 T17 L18G12-G14 PolarHBondContact O-N 3.11Å; G14-T17 WeakPolarHBondContact O-CB 3.33Å; G14-T17 PolarHBondContact O-N 2.81Å; G14-L18 PolarHBondContact O-N 3.04Å; G14-L18 VanDerWaalsContact O-N 3.08Å
15K83.9Confident84.3Confident16 Ų1636.7 Ų36.77%0.0722%0.224CC..Hα-helixtrans-60.3-44.6177.1-58.1-174.9-67.5-81.40112.2G9 P10 V13 T17 L18 I19 T143 V169G9-K15 PolarHBondContact O-NZ 3.06Å; P10-K15 PolarHBondContact O-NZ 3.28Å; V13-K15 HydrophobicContact CG1-CD 4.16Å; V13-K15 HydrophobicContact CG1-CG 3.41Å; V13-K15 VanDerWaalsContact CG1-CG 3.41Å; K15-T17 VanDerWaalsContact C-N 3.31Å; K15-T17 PolarHBondContact O-N 3.42Å; K15-L18 WeakPolarHBondContact O-CA 3.49Å; K15-L18 WeakPolarHBondContact O-CB 3.45Å; K15-L18 PolarHBondContact O-N 3.07Å; K15-I19 PolarHBondContact O-N 3.34Å; K15-T143 HydrophobicContact CB-CG2 3.57Å; K15-T143 HydrophobicContact CD-CG2 4.07Å; K15-T143 HydrophobicContact CG-CG2 4.36Å; K15-V169 HydrophobicContact CG-CB 4.41Å
16T83.3Confident84.1Confident33 Ų3336.6 Ų36.620%0.20222%0.223CC..Hα-helixtrans-53.7-47.9174.6-48.50000111.3L18 I19 Q20 Y37 D113T16-L18 VanDerWaalsContact C-N 3.29Å; T16-L18 PolarHBondContact O-N 2.97Å; T16-I19 PolarHBondContact O-N 3.25Å; T16-Q20 WeakPolarHBondContact O-CG 3.31Å; T16-Q20 PolarHBondContact O-N 2.81Å; T16-Y37 HydrophobicContact CG2-CD2 4.49Å; T16-D113 WeakPolarHBondContact CB-OD2 3.29Å; T16-D113 WeakPolarHBondContact CG2-OD2 3.32Å; T16-D113 PolarHBondContact OG1-OD2 3.41Å
17T85.2Confident83.8Confident56 Ų5641.1 Ų41.134%0.34424%0.243SC..Hα-helixtrans-61.4-38.7176.4-46.40000112.2G14 K15 Q20 K21G14-T17 WeakPolarHBondContact O-CB 3.33Å; G14-T17 PolarHBondContact O-N 2.81Å; K15-T17 VanDerWaalsContact C-N 3.31Å; K15-T17 PolarHBondContact O-N 3.42Å; T17-Q20 PolarHBondContact O-N 3.04Å; T17-K21 WeakPolarHBondContact O-CG 3.45Å; T17-K21 PolarHBondContact O-N 3.38Å
18L86.2Confident83.6Confident6 Ų645.9 Ų45.93%0.03128%0.276CS..Hα-helixtrans-64.1-46177.1-118.4165.1000111.4L7 G14 K15 T16 K21 A22 V169 R174 L178 I181L7-L18 HydrophobicContact CD2-CB 4.39Å; L7-L18 HydrophobicContact CD2-CD1 4.22Å; G14-L18 PolarHBondContact O-N 3.04Å; G14-L18 VanDerWaalsContact O-N 3.08Å; K15-L18 WeakPolarHBondContact O-CA 3.49Å; K15-L18 WeakPolarHBondContact O-CB 3.45Å; K15-L18 PolarHBondContact O-N 3.07Å; T16-L18 VanDerWaalsContact C-N 3.29Å; T16-L18 PolarHBondContact O-N 2.97Å; L18-K21 PolarHBondContact O-N 3.5Å; L18-A22 WeakPolarHBondContact O-CB 3.27Å; L18-A22 PolarHBondContact O-N 3.12Å; L18-V169 HydrophobicContact CD1-CG1 3.58Å; L18-V169 HydrophobicContact CD1-CG2 4.16Å; L18-R174 HydrophobicContact CD1-CB 3.81Å; L18-R174 WeakPolarHBondContact CD1-O 3.43Å; L18-R174 WeakPolarHBondContact CD2-O 3.06Å; L18-L178 HydrophobicContact CD2-CB 3.79Å; L18-L178 HydrophobicContact CD2-CD1 4.23Å; L18-L178 HydrophobicContact CD2-CG 4.31Å; L18-I181 HydrophobicContact CD2-CD1 4.07Å
19I86.6Confident83.3Confident1 Ų147.9 Ų47.91%0.00529%0.291CS..Hα-helixtrans-61.5-45.9175.2-80-167.1000111.1L7 K15 T16 K21 A22 S23 V111 L141 T143L7-I19 HydrophobicContact CD1-CD1 4.03Å; L7-I19 HydrophobicContact CD1-CG1 3.77Å; K15-I19 PolarHBondContact O-N 3.34Å; T16-I19 PolarHBondContact O-N 3.25Å; I19-K21 VanDerWaalsContact C-N 3.35Å; I19-K21 PolarHBondContact O-N 2.88Å; I19-A22 PolarHBondContact O-N 3.41Å; I19-S23 WeakPolarHBondContact O-CB 3.2Å; I19-S23 PolarHBondContact O-N 2.89Å; I19-S23 PolarHBondContact O-OG 3Å; I19-V111 HydrophobicContact CG2-CG1 3.17Å; I19-L141 HydrophobicContact CG1-CG 4.47Å; I19-T143 HydrophobicContact CD1-CG2 3.42Å; I19-T143 VanDerWaalsContact CD1-CG2 3.42Å; I19-T143 HydrophobicContact CG1-CG2 4.09Å
20Q85.8Confident83Confident67 Ų6750.9 Ų50.931%0.31332%0.322SS..Hα-helixtrans-58.4-47.9179-75.1174.8700111T16 T17 S23 E24 Y37T16-Q20 WeakPolarHBondContact O-CG 3.31Å; T16-Q20 PolarHBondContact O-N 2.81Å; T17-Q20 PolarHBondContact O-N 3.04Å; Q20-S23 WeakPolarHBondContact O-CB 3.36Å; Q20-S23 PolarHBondContact O-N 3.03Å; Q20-E24 PolarHBondContact O-N 3.4Å; Q20-Y37 HydrophobicContact CG-CD1 4.46Å; Q20-Y37 HydrophobicContact CG-CG 4.45Å; Q20-Y37 VanDerWaalsContact NE2-CD2 3.35Å; Q20-Y37 VanDerWaalsContact NE2-CE2 3.35Å
21K87.6Confident82.9Confident95 Ų9548 Ų4841%0.41330%0.303SS..Hα-helixtrans-64.2-42.1176.9-68.3-176.4173.3-161.70112.8T17 L18 I19 S23 E24 V25 L178T17-K21 WeakPolarHBondContact O-CG 3.45Å; T17-K21 PolarHBondContact O-N 3.38Å; L18-K21 PolarHBondContact O-N 3.5Å; I19-K21 VanDerWaalsContact C-N 3.35Å; I19-K21 PolarHBondContact O-N 2.88Å; K21-S23 VanDerWaalsContact C-N 3.27Å; K21-S23 PolarHBondContact O-N 3.07Å; K21-E24 PolarHBondContact O-N 2.96Å; K21-V25 WeakPolarHBondContact O-CG2 3.33Å; K21-V25 PolarHBondContact O-N 2.74Å; K21-L178 HydrophobicContact CB-CD1 3.43Å; K21-L178 VanDerWaalsContact CB-CD1 3.43Å; K21-L178 HydrophobicContact CD-CD1 3.84Å; K21-L178 HydrophobicContact CG-CD1 4.31Å
22A86.5Confident83.1Confident1 Ų145.4 Ų45.41%0.00829%0.286CS..Hα-helixtrans-60.5-40.8175.700000111.2L18 I19 E24 V25 L26 L141 I181 V182L18-A22 WeakPolarHBondContact O-CB 3.27Å; L18-A22 PolarHBondContact O-N 3.12Å; I19-A22 PolarHBondContact O-N 3.41Å; A22-E24 PolarHBondContact O-N 3.41Å; A22-V25 PolarHBondContact O-N 3.05Å; A22-L26 WeakPolarHBondContact O-CB 3.28Å; A22-L26 WeakPolarHBondContact O-CD1 3.41Å; A22-L26 WeakPolarHBondContact O-CG 3.43Å; A22-L26 PolarHBondContact O-N 3.43Å; A22-L141 HydrophobicContact CB-CD2 3.96Å; A22-I181 HydrophobicContact CB-CG2 4.36Å; A22-V182 HydrophobicContact CB-CG2 4.31Å
23S85.2Confident83.6Confident3 Ų342.2 Ų42.22%0.02125%0.251CS..Hα-helixtrans-62.4-42176.3-53.60000111.8I19 Q20 K21 L26 K27 V111I19-S23 WeakPolarHBondContact O-CB 3.2Å; I19-S23 PolarHBondContact O-N 2.89Å; I19-S23 PolarHBondContact O-OG 3Å; Q20-S23 WeakPolarHBondContact O-CB 3.36Å; Q20-S23 PolarHBondContact O-N 3.03Å; K21-S23 VanDerWaalsContact C-N 3.27Å; K21-S23 PolarHBondContact O-N 3.07Å; S23-L26 PolarHBondContact O-N 2.85Å; S23-K27 WeakPolarHBondContact O-CB 3.23Å; S23-K27 WeakPolarHBondContact O-CG 3.44Å; S23-K27 PolarHBondContact O-N 3.38Å; S23-V111 WeakPolarHBondContact OG-CG2 3.2Å
24E86.4Confident83.8Confident132 Ų13243.8 Ų43.862%0.61726%0.259SS*.Hα-helixtrans-64.4-43.6177.1-172.9174.18500112.5Q20 K21 A22 L26 K27 S28Q20-E24 PolarHBondContact O-N 3.4Å; K21-E24 PolarHBondContact O-N 2.96Å; A22-E24 PolarHBondContact O-N 3.41Å; E24-L26 VanDerWaalsContact C-N 3.35Å; E24-L26 PolarHBondContact O-N 2.97Å; E24-K27 PolarHBondContact O-N 2.8Å; E24-S28 WeakPolarHBondContact O-CB 3.09Å; E24-S28 PolarHBondContact O-N 2.92Å; E24-S28 PolarHBondContact O-OG 3.04Å
25V87.2Confident84.2Confident55 Ų5543 Ų4333%0.33325%0.251SS..Hα-helixtrans-63.7-41.9176174.10000111.2K21 A22 S28 S29 V182K21-V25 WeakPolarHBondContact O-CG2 3.33Å; K21-V25 PolarHBondContact O-N 2.74Å; A22-V25 PolarHBondContact O-N 3.05Å; V25-S28 PolarHBondContact O-N 2.8Å; V25-S29 WeakPolarHBondContact O-CB 3.33Å; V25-S29 PolarHBondContact O-N 3.36Å; V25-S29 PolarHBondContact O-OG 3.26Å; V25-V182 HydrophobicContact CB-CG2 4.27Å; V25-V182 HydrophobicContact CG1-CG1 3.9Å; V25-V182 HydrophobicContact CG1-CG2 4.05Å
26L83.9Confident84.4Confident0 Ų042.2 Ų42.20%025%0.247CC..Hα-helixtrans-64.9-44.5177-72.6166.7000111.5A22 S23 E24 S28 S29 G30 V31 V33 V109 L141 V182 V185A22-L26 WeakPolarHBondContact O-CB 3.28Å; A22-L26 WeakPolarHBondContact O-CD1 3.41Å; A22-L26 WeakPolarHBondContact O-CG 3.43Å; A22-L26 PolarHBondContact O-N 3.43Å; S23-L26 PolarHBondContact O-N 2.85Å; E24-L26 VanDerWaalsContact C-N 3.35Å; E24-L26 PolarHBondContact O-N 2.97Å; L26-S28 VanDerWaalsContact C-N 3.33Å; L26-S28 PolarHBondContact O-N 3.39Å; L26-S29 CarbonylContact O-C 3.5Å; L26-S29 WeakPolarHBondContact O-CB 3.44Å; L26-S29 PolarHBondContact O-N 3.42Å; L26-S29 VanDerWaalsContact O-N 3.11Å; L26-G30 PolarHBondContact O-N 3.1Å; L26-V31 HydrophobicContact CB-CB 4.31Å; L26-V31 HydrophobicContact CD2-CG2 4.37Å; L26-V31 VanDerWaalsContact O-CB 3.27Å; L26-V31 WeakPolarHBondContact O-CB 3.38Å; L26-V31 WeakPolarHBondContact O-CG2 3.47Å; L26-V31 PolarHBondContact O-N 3.38Å; L26-V33 HydrophobicContact CB-CG2 3.51Å; L26-V33 HydrophobicContact CD1-CG2 4.43Å; L26-V109 HydrophobicContact CD1-CB 4.45Å; L26-V109 HydrophobicContact CD1-CG1 4.04Å; L26-V109 HydrophobicContact CD1-CG2 4.23Å; L26-L141 HydrophobicContact CD1-CD2 4.45Å; L26-V182 HydrophobicContact CD2-CG1 4.4Å; L26-V185 HydrophobicContact CD1-CG1 4.05Å; L26-V185 HydrophobicContact CD2-CB 4.27Å; L26-V185 HydrophobicContact CD2-CG1 3.66Å
27K83.3Confident84.7Confident96 Ų9642.6 Ų42.642%0.41725%0.245SC..Hα-helixtrans-58.6-44.8173-76.1-178.3-179.7-171.80111.5S23 E24 S29 G30 V33 L55S23-K27 WeakPolarHBondContact O-CB 3.23Å; S23-K27 WeakPolarHBondContact O-CG 3.44Å; S23-K27 PolarHBondContact O-N 3.38Å; E24-K27 PolarHBondContact O-N 2.8Å; K27-S29 PolarHBondContact O-N 3.46Å; K27-G30 PolarHBondContact O-N 3.09Å; K27-V33 HydrophobicContact CG-CB 3.98Å; K27-V33 HydrophobicContact CG-CG2 3.88Å; K27-L55 PolarHBondContact NZ-O 2.93Å
28S84.6Confident84.7Confident100 Ų10040.3 Ų40.370%0.69923%0.231SC*.Hα-helixtrans-63.7-27.5177.2-56.70000112.6E24 V25 L26 G30E24-S28 WeakPolarHBondContact O-CB 3.09Å; E24-S28 PolarHBondContact O-N 2.92Å; E24-S28 PolarHBondContact O-OG 3.04Å; V25-S28 PolarHBondContact O-N 2.8Å; L26-S28 VanDerWaalsContact C-N 3.33Å; L26-S28 PolarHBondContact O-N 3.39Å; S28-G30 PolarHBondContact O-N 3.49Å
29S80.9Confident84.7Confident60 Ų6044.3 Ų44.342%0.4225%0.25SC..THydrogen-bonded Turntrans-81.18.1174.3-53.60000113.2V25 L26 K27 V31V25-S29 WeakPolarHBondContact O-CB 3.33Å; V25-S29 PolarHBondContact O-N 3.36Å; V25-S29 PolarHBondContact O-OG 3.26Å; L26-S29 CarbonylContact O-C 3.5Å; L26-S29 WeakPolarHBondContact O-CB 3.44Å; L26-S29 PolarHBondContact O-N 3.42Å; L26-S29 VanDerWaalsContact O-N 3.11Å; K27-S29 PolarHBondContact O-N 3.46Å; S29-V31 VanDerWaalsContact C-N 3.31Å; S29-V31 PolarHBondContact O-N 2.82Å
30G77.5Confident84.7Confident64 Ų6447.7 Ų47.766%0.6627%0.265SS*.THydrogen-bonded Turntrans74.816.8-178.300000114.1L26 K27 S28L26-G30 PolarHBondContact O-N 3.1Å; K27-G30 PolarHBondContact O-N 3.09Å; S28-G30 PolarHBondContact O-N 3.49Å
31V78.1Confident84.7Confident5 Ų546 Ų463%0.0326%0.26CS..  trans-86.4127.9178.2-170.20000109.5L26 S29 V33 V109 R189L26-V31 HydrophobicContact CB-CB 4.31Å; L26-V31 HydrophobicContact CD2-CG2 4.37Å; L26-V31 VanDerWaalsContact O-CB 3.27Å; L26-V31 WeakPolarHBondContact O-CB 3.38Å; L26-V31 WeakPolarHBondContact O-CG2 3.47Å; L26-V31 PolarHBondContact O-N 3.38Å; S29-V31 VanDerWaalsContact C-N 3.31Å; S29-V31 PolarHBondContact O-N 2.82Å; V31-V33 WeakPolarHBondContact O-CG2 3.3Å; V31-V33 PolarHBondContact O-N 2.91Å; V31-V109 HydrophobicContact CG1-CG2 3.82Å; V31-R189 VanDerWaalsContact CG2-NH1 3.33Å
32P79.2Confident84.6Confident59 Ų5949.6 Ų49.638%0.38327%0.271SS..  trans-65.7109.2169.725.6-31.9000109.4R108 V109P32-R108 HydrophobicContact CB-CG 4.3Å; P32-R108 HydrophobicContact CG-CG 3.87Å; P32-V109 PolarHBondContact O-N 3.18Å
33V84.4Confident84.5Confident13 Ų1356.1 Ų56.18%0.07930%0.301CS..EExtended strand (participates in β ladder)trans-109.7119.6175-1680000108.7L26 K27 V31 L55 V109 V111L26-V33 HydrophobicContact CB-CG2 3.51Å; L26-V33 HydrophobicContact CD1-CG2 4.43Å; K27-V33 HydrophobicContact CG-CB 3.98Å; K27-V33 HydrophobicContact CG-CG2 3.88Å; V31-V33 WeakPolarHBondContact O-CG2 3.3Å; V31-V33 PolarHBondContact O-N 2.91Å; V33-L55 HydrophobicContact CB-CD1 4.32Å; V33-L55 HydrophobicContact CG1-CD1 3.57Å; V33-V109 WeakPolarHBondContact CA-O 3.27Å; V33-V109 HydrophobicContact CG1-CB 4.22Å; V33-V109 HydrophobicContact CG1-CG1 4.32Å; V33-V109 HydrophobicContact CG2-CB 4.3Å; V33-V111 HydrophobicContact CG1-CG2 3.44Å; V33-V111 VanDerWaalsContact CG1-CG2 3.44Å
34D85.4Confident84.3Confident41 Ų4159.9 Ų59.922%0.21934%0.341CS..EExtended strand (participates in β ladder)trans-121.2157.5175-124.6-61000108.8V109 C110 V111D34-V109 PolarHBondContact N-O 2.94Å; D34-C110 CarbonylContact O-C 3.59Å; D34-C110 WeakPolarHBondContact O-CA 3.33Å; D34-V111 PolarHBondContact O-N 2.88Å
35G86.4Confident84Confident0 Ų057.1 Ų57.10%035%0.347CS..EExtended strand (participates in β ladder)trans154.3-178.5-173.700000114.5T54 L55 V111G35-T54 CarbonylContact O-C 3.52Å; G35-T54 VanDerWaalsContact O-CA 3.31Å; G35-T54 WeakPolarHBondContact O-CA 3.38Å; G35-L55 PolarHBondContact O-N 3.26Å; G35-V111 CarbonylContact C-O 3.5Å; G35-V111 WeakPolarHBondContact CA-O 3.47Å
36F89.2Confident83.9Confident0 Ų064 Ų640%037%0.368CS..EExtended strand (participates in β ladder)trans-139.9154.8168.967.3-93.4000110.9V52 V53 T54 F88 A92 V95 V111 I112 D113 F125F36-V52 HydrophobicContact CB-CG1 3.68Å; F36-V52 HydrophobicContact CD2-CG1 3.59Å; F36-V52 HydrophobicContact CE2-CG1 4.44Å; F36-V52 HydrophobicContact CG-CG1 3.76Å; F36-V53 CarbonylContact C-O 3.43Å; F36-V53 VanDerWaalsContact CA-O 3.25Å; F36-V53 WeakPolarHBondContact CA-O 3.25Å; F36-V53 WeakPolarHBondContact CB-O 3.38Å; F36-T54 HydrophobicContact CB-CG2 4.2Å; F36-F88 AromaticContact CE2-CE2 3.74Å; F36-F88 HydrophobicContact CE2-CE2 3.74Å; F36-F88 HydrophobicContact CE2-CZ 4.34Å; F36-F88 AromaticContact CZ-CE2 3.67Å; F36-F88 HydrophobicContact CZ-CE2 3.67Å; F36-F88 AromaticContact CZ-CZ 3.9Å; F36-F88 HydrophobicContact CZ-CZ 3.9Å; F36-A92 HydrophobicContact CD1-CB 4.11Å; F36-A92 HydrophobicContact CE1-CB 3.54Å; F36-A92 HydrophobicContact CZ-CB 4.01Å; F36-V95 HydrophobicContact CD1-CG1 4.4Å; F36-V111 PolarHBondContact N-O 2.92Å; F36-I112 HydrophobicContact CE1-CG2 4.3Å; F36-I112 HydrophobicContact CE2-CG2 4.34Å; F36-I112 HydrophobicContact CZ-CG2 3.82Å; F36-D113 PolarHBondContact O-N 3.08Å; F36-D113 VanDerWaalsContact O-N 3.09Å; F36-F125 AromaticContact CE1-CE2 3.92Å; F36-F125 HydrophobicContact CE1-CE2 3.92Å; F36-F125 AromaticContact CZ-CE2 3.64Å; F36-F125 HydrophobicContact CZ-CE2 3.64Å; F36-F125 HydrophobicContact CZ-CZ 4.02Å
37Y88.3Confident83.9Confident41 Ų4168.6 Ų68.616%0.16139%0.385CS..EExtended strand (participates in β ladder)trans-126.9159.4170.556.8-89.6000110.1T16 Q20 E39 V53 L55T16-Y37 HydrophobicContact CG2-CD2 4.49Å; Q20-Y37 HydrophobicContact CG-CD1 4.46Å; Q20-Y37 HydrophobicContact CG-CG 4.45Å; Q20-Y37 VanDerWaalsContact NE2-CD2 3.35Å; Q20-Y37 VanDerWaalsContact NE2-CE2 3.35Å; Y37-E39 HydrophobicContact CD2-CG 3.85Å; Y37-E39 HydrophobicContact CE2-CG 3.67Å; Y37-V53 WeakPolarHBondContact CD1-O 3.38Å; Y37-V53 HydrophobicContact CD2-CB 4.2Å; Y37-V53 HydrophobicContact CE1-CB 4.25Å; Y37-V53 HydrophobicContact CE1-CG1 4.2Å; Y37-V53 HydrophobicContact CE2-CB 3.65Å; Y37-V53 HydrophobicContact CE2-CG1 4.07Å; Y37-V53 HydrophobicContact CE2-CG2 4.24Å; Y37-V53 PolarHBondContact N-O 2.84Å; Y37-V53 PolarHBondContact O-N 3.5Å; Y37-V53 VanDerWaalsContact OH-CG1 3.3Å; Y37-V53 WeakPolarHBondContact OH-CG1 3.46Å; Y37-L55 HydrophobicContact CD1-CD2 4.27Å; Y37-L55 HydrophobicContact CE1-CD2 4.13Å
38T86.4Confident84Confident8 Ų866 Ų665%0.04938%0.375CS..EExtended strand (participates in β ladder)trans-102.6132.9178.853.80000109.7D51 V52 L62T38-D51 CarbonylContact C-O 3.55Å; T38-D51 VanDerWaalsContact CA-O 3.29Å; T38-D51 WeakPolarHBondContact CA-O 3.47Å; T38-V52 HydrophobicContact CG2-CG2 4.19Å; T38-L62 HydrophobicContact CG2-CD2 3.84Å
39E85.9Confident84.2Confident90 Ų9061.3 Ų61.342%0.42134%0.342SS..EExtended strand (participates in β ladder)trans-112.2135.1174.6-73.9-164.688.200110.6Y37 V41 F50 D51 V53Y37-E39 HydrophobicContact CD2-CG 3.85Å; Y37-E39 HydrophobicContact CE2-CG 3.67Å; E39-V41 PolarHBondContact O-N 3.32Å; E39-F50 CarbonylContact O-C 3.53Å; E39-F50 WeakPolarHBondContact O-CA 3.3Å; E39-D51 PolarHBondContact N-O 2.85Å; E39-D51 PolarHBondContact O-N 2.85Å; E39-V53 HydrophobicContact CG-CG2 4.37Å; E39-V53 WeakPolarHBondContact OE2-CG2 3.41Å
40E85.8Confident84.4Confident71 Ų7159.3 Ų59.333%0.33233%0.326SS..EExtended strand (participates in β ladder)trans-76.7120.6174.7-173.2178.289.900109.8R42 R47 F50E40-R42 HydrophobicContact CG-CG 4.45Å; E40-R42 IonicContact OE1-CZ 2.98Å; E40-R42 IonicContact OE1-NE 2.6Å; E40-R42 PolarHBondContact OE1-NE 3.02Å; E40-R42 IonicContact OE1-NH2 2.69Å; E40-R42 PolarHBondContact OE1-NH2 3.45Å; E40-R47 HydrophobicContact CG-CG 3.86Å; E40-R47 VanDerWaalsContact OE2-CD 3.23Å; E40-R47 WeakPolarHBondContact OE2-CD 3.38Å; E40-R47 IonicContact OE2-CZ 3.41Å; E40-R47 IonicContact OE2-NE 3.49Å; E40-R47 PolarHBondContact OE2-NE 3.3Å; E40-R47 IonicContact OE2-NH1 2.74Å; E40-R47 PolarHBondContact OE2-NH1 3.48Å; E40-F50 HydrophobicContact CB-CE1 3.86Å; E40-F50 HydrophobicContact CB-CZ 4.23Å; E40-F50 HydrophobicContact CG-CE1 4.05Å; E40-F50 HydrophobicContact CG-CZ 3.89Å
41V86.4Confident85Confident33 Ų3357.6 Ų57.620%0.230%0.301CS..EExtended strand (participates in β ladder)trans-93120178.9-170.50000109.2E39 I48 G49 D51E39-V41 PolarHBondContact O-N 3.32Å; V41-I48 HydrophobicContact CB-CG1 4.04Å; V41-I48 HydrophobicContact CG1-CD1 3.67Å; V41-I48 HydrophobicContact CG1-CG1 3.67Å; V41-I48 VanDerWaalsContact O-CG1 3.32Å; V41-I48 WeakPolarHBondContact O-CG1 3.38Å; V41-I48 PolarHBondContact O-N 3.44Å; V41-G49 PolarHBondContact N-O 2.93Å; V41-G49 PolarHBondContact O-N 2.78Å; V41-D51 HydrophobicContact CG2-CB 3.89Å; V41-D51 VanDerWaalsContact CG2-CG 3.41Å; V41-D51 VanDerWaalsContact CG2-OD2 3.3Å; V41-D51 WeakPolarHBondContact CG2-OD2 3.5Å
42R85.8Confident85.4Confident169 Ų16957.4 Ų57.464%0.63830%0.3SS*.EExtended strand (participates in β ladder)trans-115.6136174.3-62.9-176.7179.5-178.41.1110.5E40 R46E40-R42 HydrophobicContact CG-CG 4.45Å; E40-R42 IonicContact OE1-CZ 2.98Å; E40-R42 IonicContact OE1-NE 2.6Å; E40-R42 PolarHBondContact OE1-NE 3.02Å; E40-R42 IonicContact OE1-NH2 2.69Å; E40-R42 PolarHBondContact OE1-NH2 3.45Å; R42-R46 CarbonylContact C-O 3.53Å; R42-R46 WeakPolarHBondContact CA-O 3.2Å
43Q83.7Confident85.9Confident138 Ų13855.3 Ų55.365%0.64529%0.286SS*.EExtended strand (participates in β ladder)trans-130.7127.8173.8-167.8-179.539.700108.5G45 R46 I48Q43-G45 VanDerWaalsContact C-N 3.25Å; Q43-G45 PolarHBondContact O-N 3.41Å; Q43-R46 PolarHBondContact N-O 2.87Å; Q43-R46 PolarHBondContact O-N 3.25Å; Q43-I48 HydrophobicContact CB-CD1 3.74Å; Q43-I48 HydrophobicContact CB-CG1 4.09Å; Q43-I48 HydrophobicContact CB-CG2 3.8Å
44G81.5Confident86Confident83 Ų8354.9 Ų54.986%0.85628%0.284SS*.THydrogen-bonded Turntrans57.934.8-178.400000114R46G44-R46 PolarHBondContact O-N 3.06Å
45G80.9Confident85.9Confident73 Ų7354.5 Ų54.575%0.75328%0.282SS*.THydrogen-bonded Turntrans75.6-1.8-17800000115.2Q43Q43-G45 VanDerWaalsContact C-N 3.25Å; Q43-G45 PolarHBondContact O-N 3.41Å
46R83.4Confident85.6Confident201 Ų20158.7 Ų58.776%0.75831%0.311SS*.EExtended strand (participates in β ladder)trans-103.7140.6175.1-64.2-177.7-178.9-178.60.6110.5R42 Q43 G44 I48R42-R46 CarbonylContact C-O 3.53Å; R42-R46 WeakPolarHBondContact CA-O 3.2Å; Q43-R46 PolarHBondContact N-O 2.87Å; Q43-R46 PolarHBondContact O-N 3.25Å; G44-R46 PolarHBondContact O-N 3.06Å; R46-I48 PolarHBondContact O-N 2.88Å
47R84.2Confident85.2Confident96 Ų9661.6 Ų61.636%0.36234%0.341SS..EExtended strand (participates in β ladder)trans-72.5112.9172.8176.6-179.4162.1159.5-16.3109.1E40 Y81E40-R47 HydrophobicContact CG-CG 3.86Å; E40-R47 VanDerWaalsContact OE2-CD 3.23Å; E40-R47 WeakPolarHBondContact OE2-CD 3.38Å; E40-R47 IonicContact OE2-CZ 3.41Å; E40-R47 IonicContact OE2-NE 3.49Å; E40-R47 PolarHBondContact OE2-NE 3.3Å; E40-R47 IonicContact OE2-NH1 2.74Å; E40-R47 PolarHBondContact OE2-NH1 3.48Å; R47-Y81 WeakPolarHBondContact CD-OH 3.32Å; R47-Y81 HydrophobicContact CG-CE1 4.23Å; R47-Y81 WeakPolarHBondContact CG-OH 3.31Å; R47-Y81 PolarHBondContact NE-OH 3.45Å
48I86.4Confident85.1Confident42 Ų4263.2 Ų63.222%0.21536%0.355CS..EExtended strand (participates in β ladder)trans-99.7-10.9-178.560.5157.9000113V41 Q43 R46 R64 V65V41-I48 HydrophobicContact CB-CG1 4.04Å; V41-I48 HydrophobicContact CG1-CD1 3.67Å; V41-I48 HydrophobicContact CG1-CG1 3.67Å; V41-I48 VanDerWaalsContact O-CG1 3.32Å; V41-I48 WeakPolarHBondContact O-CG1 3.38Å; V41-I48 PolarHBondContact O-N 3.44Å; Q43-I48 HydrophobicContact CB-CD1 3.74Å; Q43-I48 HydrophobicContact CB-CG1 4.09Å; Q43-I48 HydrophobicContact CB-CG2 3.8Å; R46-I48 PolarHBondContact O-N 2.88Å; I48-R64 CarbonylContact O-C 3.53Å; I48-R64 WeakPolarHBondContact O-CA 3.22Å; I48-V65 WeakPolarHBondContact O-CG2 3.3Å; I48-V65 PolarHBondContact O-N 2.8Å
49G87.5Confident85.2Confident0 Ų072.5 Ų72.50%039%0.389CS..EExtended strand (participates in β ladder)trans158.2-159.2177.800000114.6V41 S63V41-G49 PolarHBondContact N-O 2.93Å; V41-G49 PolarHBondContact O-N 2.78Å; G49-S63 CarbonylContact C-O 3.58Å; G49-S63 WeakPolarHBondContact CA-O 3.31Å
50F86.5Confident85.2Confident18 Ų1868.7 Ų68.78%0.07938%0.375CS..EExtended strand (participates in β ladder)trans-129.4139.3179.7-71.2-86.4000110.7E39 E40 L62 S63 R64 M118E39-F50 CarbonylContact O-C 3.53Å; E39-F50 WeakPolarHBondContact O-CA 3.3Å; E40-F50 HydrophobicContact CB-CE1 3.86Å; E40-F50 HydrophobicContact CB-CZ 4.23Å; E40-F50 HydrophobicContact CG-CE1 4.05Å; E40-F50 HydrophobicContact CG-CZ 3.89Å; F50-L62 HydrophobicContact CB-CB 3.98Å; F50-L62 HydrophobicContact CB-CD2 4.06Å; F50-L62 HydrophobicContact CB-CG 4.4Å; F50-L62 WeakPolarHBondContact O-CB 3.45Å; F50-L62 PolarHBondContact O-N 2.79Å; F50-S63 WeakPolarHBondContact CD2-OG 3.31Å; F50-S63 PolarHBondContact N-O 2.83Å; F50-S63 PolarHBondContact O-N 3.24Å; F50-R64 PolarHBondContact O-NH1 2.73Å; F50-R64 VanDerWaalsContact O-NH1 3.08Å; F50-M118 HydrophobicContact CD2-CE 4.5Å; F50-M118 HydrophobicContact CD2-SD 4.4Å
51D88.7Confident85.2Confident28 Ų2867.9 Ų67.915%0.1538%0.376CS..EExtended strand (participates in β ladder)trans-111.2142.1167.4-76.6-11.7000110T38 E39 V41 G60 P61 R64T38-D51 CarbonylContact C-O 3.55Å; T38-D51 VanDerWaalsContact CA-O 3.29Å; T38-D51 WeakPolarHBondContact CA-O 3.47Å; E39-D51 PolarHBondContact N-O 2.85Å; E39-D51 PolarHBondContact O-N 2.85Å; V41-D51 HydrophobicContact CG2-CB 3.89Å; V41-D51 VanDerWaalsContact CG2-CG 3.41Å; V41-D51 VanDerWaalsContact CG2-OD2 3.3Å; V41-D51 WeakPolarHBondContact CG2-OD2 3.5Å; D51-G60 CarbonylContact C-O 3.55Å; D51-G60 WeakPolarHBondContact CA-O 3.4Å; D51-P61 VanDerWaalsContact OD1-CA 3.32Å; D51-P61 WeakPolarHBondContact OD1-CA 3.26Å; D51-R64 IonicContact OD1-CZ 3.57Å; D51-R64 IonicContact OD1-NH1 3.35Å; D51-R64 PolarHBondContact OD1-NH1 2.69Å; D51-R64 IonicContact OD1-NH2 2.81Å; D51-R64 PolarHBondContact OD1-NH2 2.98Å; D51-R64 IonicContact OD2-CZ 2.67Å; D51-R64 IonicContact OD2-NH1 3.61Å; D51-R64 IonicContact OD2-NH2 3.35Å; D51-R64 PolarHBondContact OD2-NH2 3.24Å
52V88.1Confident85.1Confident1 Ų166.4 Ų66.41%0.00637%0.366CS..EExtended strand (participates in β ladder)trans-92.2128.4166.2174.70000107.3F36 T38 R59 G60 L62 F88 L91F36-V52 HydrophobicContact CB-CG1 3.68Å; F36-V52 HydrophobicContact CD2-CG1 3.59Å; F36-V52 HydrophobicContact CE2-CG1 4.44Å; F36-V52 HydrophobicContact CG-CG1 3.76Å; T38-V52 HydrophobicContact CG2-CG2 4.19Å; V52-R59 CarbonylContact O-C 3.59Å; V52-R59 VanDerWaalsContact O-CA 3.3Å; V52-R59 WeakPolarHBondContact O-CA 3.39Å; V52-G60 PolarHBondContact N-O 3.26Å; V52-G60 PolarHBondContact O-N 3.3Å; V52-L62 HydrophobicContact CG2-CB 3.65Å; V52-L62 HydrophobicContact CG2-CD1 3.93Å; V52-L62 HydrophobicContact CG2-CD2 4.01Å; V52-L62 HydrophobicContact CG2-CG 4.06Å; V52-F88 HydrophobicContact CG2-CD2 3.76Å; V52-F88 HydrophobicContact CG2-CE2 4.23Å; V52-L91 HydrophobicContact CB-CD1 4.07Å; V52-L91 HydrophobicContact CG1-CB 4.29Å; V52-L91 HydrophobicContact CG1-CD1 4.16Å
53V88.5Confident84.9Confident15 Ų1558.4 Ų58.49%0.09134%0.337CS..EExtended strand (participates in β ladder)trans-121.5120.2175.3-173.20000108.2F36 Y37 E39 T58 R59F36-V53 CarbonylContact C-O 3.43Å; F36-V53 VanDerWaalsContact CA-O 3.25Å; F36-V53 WeakPolarHBondContact CA-O 3.25Å; F36-V53 WeakPolarHBondContact CB-O 3.38Å; Y37-V53 WeakPolarHBondContact CD1-O 3.38Å; Y37-V53 HydrophobicContact CD2-CB 4.2Å; Y37-V53 HydrophobicContact CE1-CB 4.25Å; Y37-V53 HydrophobicContact CE1-CG1 4.2Å; Y37-V53 HydrophobicContact CE2-CB 3.65Å; Y37-V53 HydrophobicContact CE2-CG1 4.07Å; Y37-V53 HydrophobicContact CE2-CG2 4.24Å; Y37-V53 PolarHBondContact N-O 2.84Å; Y37-V53 PolarHBondContact O-N 3.5Å; Y37-V53 VanDerWaalsContact OH-CG1 3.3Å; Y37-V53 WeakPolarHBondContact OH-CG1 3.46Å; E39-V53 HydrophobicContact CG-CG2 4.37Å; E39-V53 WeakPolarHBondContact OE2-CG2 3.41Å; V53-T58 CarbonylContact C-O 3.55Å; V53-T58 WeakPolarHBondContact CA-O 3.19Å; V53-R59 HydrophobicContact CG2-CB 4.06Å
54T87.9Confident84.9Confident5 Ų554.5 Ų54.53%0.03132%0.316CS..EExtended strand (participates in β ladder)trans-78.9153.317670.80000110G35 F36 S56 G57 T58 L91 V95G35-T54 CarbonylContact O-C 3.52Å; G35-T54 VanDerWaalsContact O-CA 3.31Å; G35-T54 WeakPolarHBondContact O-CA 3.38Å; F36-T54 HydrophobicContact CB-CG2 4.2Å; T54-S56 PolarHBondContact O-N 2.7Å; T54-S56 VanDerWaalsContact O-N 3.12Å; T54-G57 PolarHBondContact O-N 2.84Å; T54-T58 PolarHBondContact N-O 2.89Å; T54-T58 VanDerWaalsContact OG1-CB 3.31Å; T54-T58 WeakPolarHBondContact OG1-CB 3.44Å; T54-T58 PolarHBondContact OG1-N 3.43Å; T54-T58 VanDerWaalsContact OG1-N 3.07Å; T54-T58 PolarHBondContact OG1-O 2.9Å; T54-L91 HydrophobicContact CG2-CB 4.21Å; T54-L91 HydrophobicContact CG2-CD2 4.18Å; T54-V95 HydrophobicContact CG2-CG2 3.98Å
55L83.3Confident84.7Confident33 Ų3353.5 Ų53.517%0.17329%0.293CS..THydrogen-bonded Turntrans-64.7-12.7173.9-73.7177.2000113.3K27 V33 G35 Y37 G57 V111K27-L55 PolarHBondContact NZ-O 2.93Å; V33-L55 HydrophobicContact CB-CD1 4.32Å; V33-L55 HydrophobicContact CG1-CD1 3.57Å; G35-L55 PolarHBondContact O-N 3.26Å; Y37-L55 HydrophobicContact CD1-CD2 4.27Å; Y37-L55 HydrophobicContact CE1-CD2 4.13Å; L55-G57 VanDerWaalsContact C-N 3.29Å; L55-V111 HydrophobicContact CD1-CB 3.99Å; L55-V111 HydrophobicContact CD1-CG2 4Å
56S79.1Confident83.9Confident87 Ų8753.3 Ų53.361%0.60829%0.291SS*.THydrogen-bonded Turntrans-82.8-3.6172.4-47.40000113.1T54T54-S56 PolarHBondContact O-N 2.7Å; T54-S56 VanDerWaalsContact O-N 3.12Å
57G80.9Confident82.6Confident61 Ų6147.5 Ų47.563%0.62927%0.274SS*.SBendtrans90.11.8179.200000114.7T54 L55T54-G57 PolarHBondContact O-N 2.84Å; L55-G57 VanDerWaalsContact C-N 3.29Å
58T85.9Confident81.2Confident76 Ų7651.1 Ų51.147%0.46630%0.295SS..  trans-77.4131.4174.5-44.10000109.3V53 T54 L91V53-T58 CarbonylContact C-O 3.55Å; V53-T58 WeakPolarHBondContact CA-O 3.19Å; T54-T58 PolarHBondContact N-O 2.89Å; T54-T58 VanDerWaalsContact OG1-CB 3.31Å; T54-T58 WeakPolarHBondContact OG1-CB 3.44Å; T54-T58 PolarHBondContact OG1-N 3.43Å; T54-T58 VanDerWaalsContact OG1-N 3.07Å; T54-T58 PolarHBondContact OG1-O 2.9Å; T58-L91 HydrophobicContact CG2-CD2 3.42Å; T58-L91 VanDerWaalsContact CG2-CD2 3.42Å
59R88.1Confident79.7Confident202 Ų20250.8 Ų50.876%0.76230%0.296SS*.EExtended strand (participates in β ladder)trans-120.3146.4176.168.9-179.3-171.1-175.61.6110.9V52 V53V52-R59 CarbonylContact O-C 3.59Å; V52-R59 VanDerWaalsContact O-CA 3.3Å; V52-R59 WeakPolarHBondContact O-CA 3.39Å; V53-R59 HydrophobicContact CG2-CB 4.06Å
60G86.6Confident78Confident11 Ų1154.2 Ų54.211%0.11332%0.318CS..EExtended strand (participates in β ladder)trans-157.3160.9170.800000113.4D51 V52 L62D51-G60 CarbonylContact C-O 3.55Å; D51-G60 WeakPolarHBondContact CA-O 3.4Å; V52-G60 PolarHBondContact N-O 3.26Å; V52-G60 PolarHBondContact O-N 3.3Å; G60-L62 PolarHBondContact O-N 3.45Å
61P85Confident76Confident54 Ų5460.1 Ų60.135%0.35136%0.358SS..EExtended strand (participates in β ladder)trans-69.5125.4-178.529.1-33.4000111.1D51 S87D51-P61 VanDerWaalsContact OD1-CA 3.32Å; D51-P61 WeakPolarHBondContact OD1-CA 3.26Å; P61-S87 WeakPolarHBondContact O-CB 3.45Å
62L84.3Confident74.2Confident1 Ų162.9 Ų62.91%0.00539%0.393CS..EExtended strand (participates in β ladder)trans-88.8-49.7168.7-179.760000110.4T38 F50 V52 G60 V83 D84 F88T38-L62 HydrophobicContact CG2-CD2 3.84Å; F50-L62 HydrophobicContact CB-CB 3.98Å; F50-L62 HydrophobicContact CB-CD2 4.06Å; F50-L62 HydrophobicContact CB-CG 4.4Å; F50-L62 WeakPolarHBondContact O-CB 3.45Å; F50-L62 PolarHBondContact O-N 2.79Å; V52-L62 HydrophobicContact CG2-CB 3.65Å; V52-L62 HydrophobicContact CG2-CD1 3.93Å; V52-L62 HydrophobicContact CG2-CD2 4.01Å; V52-L62 HydrophobicContact CG2-CG 4.06Å; G60-L62 PolarHBondContact O-N 3.45Å; L62-V83 HydrophobicContact CD1-CG1 4.21Å; L62-V83 CarbonylContact O-C 3.55Å; L62-V83 WeakPolarHBondContact O-CA 3.46Å; L62-V83 WeakPolarHBondContact O-CG1 3.01Å; L62-D84 PolarHBondContact O-N 3.48Å; L62-F88 HydrophobicContact CD1-CB 3.73Å; L62-F88 HydrophobicContact CD1-CD2 3.48Å; L62-F88 VanDerWaalsContact CD1-CD2 3.48Å; L62-F88 HydrophobicContact CD1-CE2 4.21Å; L62-F88 HydrophobicContact CD1-CG 3.7Å
63S83.1Confident72.5Confident2 Ų267.8 Ų67.81%0.01441%0.414CS..EExtended strand (participates in β ladder)trans-150.6152.7177.665.20000112.3G49 F50 V82G49-S63 CarbonylContact C-O 3.58Å; G49-S63 WeakPolarHBondContact CA-O 3.31Å; F50-S63 WeakPolarHBondContact CD2-OG 3.31Å; F50-S63 PolarHBondContact N-O 2.83Å; F50-S63 PolarHBondContact O-N 3.24Å; S63-V82 WeakPolarHBondContact CA-O 3.25Å; S63-V82 VanDerWaalsContact CB-O 3.28Å; S63-V82 WeakPolarHBondContact CB-O 3.37Å
64R84.1Confident70.9Confident56 Ų5676.7 Ų76.721%0.21145%0.446CS..EExtended strand (participates in β ladder)trans-139.8146.2179.4-68.9-66.7-174.3-106.36.3111I48 F50 D51 L67 V82I48-R64 CarbonylContact O-C 3.53Å; I48-R64 WeakPolarHBondContact O-CA 3.22Å; F50-R64 PolarHBondContact O-NH1 2.73Å; F50-R64 VanDerWaalsContact O-NH1 3.08Å; D51-R64 IonicContact OD1-CZ 3.57Å; D51-R64 IonicContact OD1-NH1 3.35Å; D51-R64 PolarHBondContact OD1-NH1 2.69Å; D51-R64 IonicContact OD1-NH2 2.81Å; D51-R64 PolarHBondContact OD1-NH2 2.98Å; D51-R64 IonicContact OD2-CZ 2.67Å; D51-R64 IonicContact OD2-NH1 3.61Å; D51-R64 IonicContact OD2-NH2 3.35Å; D51-R64 PolarHBondContact OD2-NH2 3.24Å; R64-L67 HydrophobicContact CB-CB 4.3Å; R64-L67 HydrophobicContact CB-CD1 4.08Å; R64-L67 HydrophobicContact CG-CD1 4.43Å; R64-V82 PolarHBondContact N-O 2.68Å; R64-V82 VanDerWaalsContact N-O 3.07Å; R64-V82 PolarHBondContact O-N 3.28Å
65V76.5Confident69.5Low62 Ų6283.3 Ų83.338%0.37648%0.477SS..EExtended strand (participates in β ladder)trans-77.8130.3169.4-179.50000108I48 L67 Q80 Y81I48-V65 WeakPolarHBondContact O-CG2 3.3Å; I48-V65 PolarHBondContact O-N 2.8Å; V65-L67 VanDerWaalsContact C-N 3.34Å; V65-L67 PolarHBondContact O-N 3.25Å; V65-Q80 HydrophobicContact CG2-CG 4.29Å; V65-Y81 HydrophobicContact CG2-CD1 3.45Å; V65-Y81 VanDerWaalsContact CG2-CD1 3.45Å; V65-Y81 HydrophobicContact CG2-CE1 3.28Å; V65-Y81 HydrophobicContact CG2-CG 4.48Å
66G63.6Low68.7Low68 Ų6882 Ų8270%0.70147%0.471SS*.THydrogen-bonded Turntrans78.611.3175.100000115.5E68G66-E68 PolarHBondContact O-N 3.37Å
67L57.6Low68.2Low79 Ų7983.7 Ų83.741%0.41446%0.464SS..  trans-71.7107.8163.6-137.489.8000107.4R64 V65 V82R64-L67 HydrophobicContact CB-CB 4.3Å; R64-L67 HydrophobicContact CB-CD1 4.08Å; R64-L67 HydrophobicContact CG-CD1 4.43Å; V65-L67 VanDerWaalsContact C-N 3.34Å; V65-L67 PolarHBondContact O-N 3.25Å; L67-V82 HydrophobicContact CB-CB 4.17Å; L67-V82 WeakPolarHBondContact O-CG2 3.39Å
68E54.4Low67.8Low173 Ų17382.6 Ų82.681%0.80845%0.445SS*.PPolyproline II helixtrans-64.9124.9167-69.2-175.489.900107.6G66G66-E68 PolarHBondContact O-N 3.37Å
69P54Low67.2Low35 Ų3582.6 Ų82.623%0.22746%0.46CS..PPolyproline II helixtrans-60.4133.9175.125-30.8000107.5
70P53.1Low66.6Low71 Ų7178.7 Ų78.746%0.46145%0.45SS..PPolyproline II helixtrans-56.2141.7172.822.8-31.5000108.9G72 K73P70-G72 PolarHBondContact O-N 3.07Å; P70-K73 HydrophobicContact CG-CB 4.34Å; P70-K73 HydrophobicContact CG-CD 4.01Å; P70-K73 HydrophobicContact CG-CG 4.3Å; P70-K73 PolarHBondContact O-N 3.34Å
71P43.7Very low66.2Low142 Ų14279.5 Ų79.592%0.92245%0.45SS*.THydrogen-bonded Turntrans-56.8118.9-177.122.4-31.9000109.4
72G50Low66Low86 Ų8677.6 Ų77.689%0.88744%0.438SS*.THydrogen-bonded Turntrans106.9-5.1177.900000117.2P70P70-G72 PolarHBondContact O-N 3.07Å
73K53.4Low65.8Low104 Ų10478 Ų7845%0.45244%0.44SS..SBendtrans-90.4138.6169.7-86.2-169.9-178.7-174.90111.5P70 E75 T86P70-K73 HydrophobicContact CG-CB 4.34Å; P70-K73 HydrophobicContact CG-CD 4.01Å; P70-K73 HydrophobicContact CG-CG 4.3Å; P70-K73 PolarHBondContact O-N 3.34Å; K73-E75 PolarHBondContact O-N 3.4Å; K73-T86 PolarHBondContact NZ-OG1 3.03Å
74R54.3Low65.8Low202 Ų20279.7 Ų79.776%0.76245%0.449SS*.  trans-45.5128.4173.8-94.9179.9174.4-176.9-0.9110.4C76 M85R74-C76 VanDerWaalsContact C-N 3.27Å; R74-C76 PolarHBondContact O-N 3Å; R74-M85 HydrophobicContact CB-CE 4.28Å
75E59.4Low65.5Low144 Ų14479 Ų7967%0.67345%0.448SS*.  trans-69.280.2177.8-65.8171.983.200111K73 R77K73-E75 PolarHBondContact O-N 3.4Å; E75-R77 PolarHBondContact O-N 2.79Å
76C65.1Low65.7Low7 Ų778.9 Ų78.95%0.04745%0.448CS..  trans-83.273171.3-69.80000109.2R74 V83 M85 F121R74-C76 VanDerWaalsContact C-N 3.27Å; R74-C76 PolarHBondContact O-N 3Å; C76-V83 HydrophobicContact CB-CB 4.14Å; C76-V83 WeakPolarHBondContact O-CB 3.18Å; C76-V83 PolarHBondContact O-N 2.97Å; C76-M85 HydrophobicContact CB-CE 4.07Å; C76-M85 HydrophobicContact CB-CG 4.28Å; C76-M85 HydrophobicContact CB-SD 4.17Å; C76-M85 WeakPolarHBondContact SG-CE 3.46Å; C76-M85 PolarHBondContact SG-SD 3.32Å; C76-F121 HydrophobicContact CB-CB 4.33Å; C76-F121 HydrophobicContact CB-CD1 4.14Å; C76-F121 HydrophobicContact CB-CG 4.13Å; C76-F121 WeakPolarHBondContact SG-CD1 3.48Å
77R70.1Confident66.6Low122 Ų12277.3 Ų77.346%0.4643%0.426SS..EExtended strand (participates in β ladder)trans-101.3129.7177.7-69.8-172.6168.6168.5-5.7110.7E75 Y81 V82E75-R77 PolarHBondContact O-N 2.79Å; R77-Y81 WeakPolarHBondContact CA-O 3.14Å; R77-V82 HydrophobicContact CG-CG2 4.02Å
78V70.8Confident67.8Low37 Ų3773.7 Ų73.722%0.22441%0.407CS..EExtended strand (participates in β ladder)trans-117.292.7171.4-178.70000108Q80 Y81 V83 M118 F121V78-Q80 PolarHBondContact O-N 2.79Å; V78-Y81 PolarHBondContact N-O 2.79Å; V78-Y81 WeakPolarHBondContact O-CD2 3.3Å; V78-Y81 PolarHBondContact O-N 2.75Å; V78-V83 HydrophobicContact CG2-CG2 4.16Å; V78-M118 HydrophobicContact CB-CE 3.87Å; V78-M118 HydrophobicContact CB-CG 4.1Å; V78-M118 HydrophobicContact CG1-CE 3.77Å; V78-M118 HydrophobicContact CG1-CG 4.19Å; V78-M118 HydrophobicContact CG2-CG 3.79Å; V78-F121 HydrophobicContact CG2-CD2 4.26Å; V78-F121 HydrophobicContact CG2-CE2 3.47Å; V78-F121 VanDerWaalsContact CG2-CE2 3.47Å; V78-F121 HydrophobicContact CG2-CZ 4.22Å
79G74.1Confident69.2Low76 Ų7667.7 Ų67.778%0.78438%0.379SS*.THydrogen-bonded Turntrans63.7-118.3-171.100000110.9
80Q74.6Confident70.6Confident120 Ų12073.2 Ų73.256%0.56140%0.402SS*.THydrogen-bonded Turntrans-88-3.8179.167.2-174.940.100114.5V65 V78V65-Q80 HydrophobicContact CG2-CG 4.29Å; V78-Q80 PolarHBondContact O-N 2.79Å
81Y78.7Confident72Confident29 Ų2970.8 Ų70.811%0.11439%0.385CS..EExtended strand (participates in β ladder)trans-100.4128.1-175.8-55.6-79.5000110.3R47 V65 R77 V78 M118R47-Y81 WeakPolarHBondContact CD-OH 3.32Å; R47-Y81 HydrophobicContact CG-CE1 4.23Å; R47-Y81 WeakPolarHBondContact CG-OH 3.31Å; R47-Y81 PolarHBondContact NE-OH 3.45Å; V65-Y81 HydrophobicContact CG2-CD1 3.45Å; V65-Y81 VanDerWaalsContact CG2-CD1 3.45Å; V65-Y81 HydrophobicContact CG2-CE1 3.28Å; V65-Y81 HydrophobicContact CG2-CG 4.48Å; R77-Y81 WeakPolarHBondContact CA-O 3.14Å; V78-Y81 PolarHBondContact N-O 2.79Å; V78-Y81 WeakPolarHBondContact O-CD2 3.3Å; V78-Y81 PolarHBondContact O-N 2.75Å; Y81-M118 HydrophobicContact CD2-CE 4.16Å; Y81-M118 HydrophobicContact CG-CE 4.39Å
82V81.9Confident73.8Confident14 Ų1464 Ų649%0.08534%0.341CS..EExtended strand (participates in β ladder)trans-94.6122.3171.9-174.20000108S63 R64 L67 R77S63-V82 WeakPolarHBondContact CA-O 3.25Å; S63-V82 VanDerWaalsContact CB-O 3.28Å; S63-V82 WeakPolarHBondContact CB-O 3.37Å; R64-V82 PolarHBondContact N-O 2.68Å; R64-V82 VanDerWaalsContact N-O 3.07Å; R64-V82 PolarHBondContact O-N 3.28Å; L67-V82 HydrophobicContact CB-CB 4.17Å; L67-V82 WeakPolarHBondContact O-CG2 3.39Å; R77-V82 HydrophobicContact CG-CG2 4.02Å
83V80.4Confident75.2Confident9 Ų961.9 Ų61.96%0.05531%0.309CS..EExtended strand (participates in β ladder)trans-89.5123.4-177.2-176.40000109.3L62 C76 V78 M85 M118L62-V83 HydrophobicContact CD1-CG1 4.21Å; L62-V83 CarbonylContact O-C 3.55Å; L62-V83 WeakPolarHBondContact O-CA 3.46Å; L62-V83 WeakPolarHBondContact O-CG1 3.01Å; C76-V83 HydrophobicContact CB-CB 4.14Å; C76-V83 WeakPolarHBondContact O-CB 3.18Å; C76-V83 PolarHBondContact O-N 2.97Å; V78-V83 HydrophobicContact CG2-CG2 4.16Å; V83-M85 HydrophobicContact CG1-CG 4.48Å; V83-M85 PolarHBondContact O-N 2.76Å; V83-M118 HydrophobicContact CG2-CB 4.26Å; V83-M118 HydrophobicContact CG2-CG 4.14Å
84D81.8Confident76.5Confident38 Ų3859.6 Ų59.620%0.20331%0.305CS..  trans-89.288.3173.3-162.9-81.4000109.8L62 T86 S87 F88L62-D84 PolarHBondContact O-N 3.48Å; D84-T86 PolarHBondContact O-N 2.88Å; D84-T86 PolarHBondContact OD1-N 3.48Å; D84-S87 PolarHBondContact O-N 2.96Å; D84-S87 WeakPolarHBondContact OD1-CB 3.42Å; D84-S87 PolarHBondContact OD1-N 2.76Å; D84-S87 PolarHBondContact OD1-OG 3.23Å; D84-F88 PolarHBondContact O-N 2.91Å; D84-F88 VanDerWaalsContact O-N 3.12Å
85M77.5Confident77.7Confident40 Ų4050.3 Ų50.320%0.19727%0.27CS..Hα-helixtrans-61.3-32.5-179.4-66.8-179.2-70.300112.5R74 C76 V83 F88 E89 F121R74-M85 HydrophobicContact CB-CE 4.28Å; C76-M85 HydrophobicContact CB-CE 4.07Å; C76-M85 HydrophobicContact CB-CG 4.28Å; C76-M85 HydrophobicContact CB-SD 4.17Å; C76-M85 WeakPolarHBondContact SG-CE 3.46Å; C76-M85 PolarHBondContact SG-SD 3.32Å; V83-M85 HydrophobicContact CG1-CG 4.48Å; V83-M85 PolarHBondContact O-N 2.76Å; M85-F88 PolarHBondContact O-N 3.46Å; M85-E89 VanDerWaalsContact O-CB 3.27Å; M85-E89 WeakPolarHBondContact O-CB 3.26Å; M85-E89 WeakPolarHBondContact O-CG 3.32Å; M85-E89 PolarHBondContact O-N 2.92Å; M85-F121 HydrophobicContact CG-CB 4.46Å; M85-F121 HydrophobicContact SD-CB 3.94Å
86T81.3Confident78.4Confident60 Ų6043.4 Ų43.437%0.36824%0.238SC..Hα-helixtrans-66.3-46.8-177.4-50.70000110.8K73 D84 F88 E89 Q90K73-T86 PolarHBondContact NZ-OG1 3.03Å; D84-T86 PolarHBondContact O-N 2.88Å; D84-T86 PolarHBondContact OD1-N 3.48Å; T86-F88 VanDerWaalsContact C-N 3.33Å; T86-E89 PolarHBondContact O-N 3.5Å; T86-Q90 WeakPolarHBondContact O-CG 3.3Å; T86-Q90 PolarHBondContact O-N 2.84Å
87S82.2Confident78.6Confident35 Ų3551.2 Ų51.225%0.24527%0.267CS..Hα-helixtrans-64-41176.1-580000111.2P61 D84 L91P61-S87 WeakPolarHBondContact O-CB 3.45Å; D84-S87 PolarHBondContact O-N 2.96Å; D84-S87 WeakPolarHBondContact OD1-CB 3.42Å; D84-S87 PolarHBondContact OD1-N 2.76Å; D84-S87 PolarHBondContact OD1-OG 3.23Å; S87-L91 WeakPolarHBondContact O-CG 3.45Å; S87-L91 PolarHBondContact O-N 3.23Å
88F83.3Confident78.3Confident3 Ų349.2 Ų49.21%0.01327%0.265CS..Hα-helixtrans-62-49.1175175.6-112.6000112.4F36 V52 L62 D84 M85 T86 Q90 L91 A92 E119 F125F36-F88 AromaticContact CE2-CE2 3.74Å; F36-F88 HydrophobicContact CE2-CE2 3.74Å; F36-F88 HydrophobicContact CE2-CZ 4.34Å; F36-F88 AromaticContact CZ-CE2 3.67Å; F36-F88 HydrophobicContact CZ-CE2 3.67Å; F36-F88 AromaticContact CZ-CZ 3.9Å; F36-F88 HydrophobicContact CZ-CZ 3.9Å; V52-F88 HydrophobicContact CG2-CD2 3.76Å; V52-F88 HydrophobicContact CG2-CE2 4.23Å; L62-F88 HydrophobicContact CD1-CB 3.73Å; L62-F88 HydrophobicContact CD1-CD2 3.48Å; L62-F88 VanDerWaalsContact CD1-CD2 3.48Å; L62-F88 HydrophobicContact CD1-CE2 4.21Å; L62-F88 HydrophobicContact CD1-CG 3.7Å; D84-F88 PolarHBondContact O-N 2.91Å; D84-F88 VanDerWaalsContact O-N 3.12Å; M85-F88 PolarHBondContact O-N 3.46Å; T86-F88 VanDerWaalsContact C-N 3.33Å; F88-Q90 VanDerWaalsContact C-N 3.31Å; F88-Q90 PolarHBondContact O-N 3.14Å; F88-L91 PolarHBondContact O-N 2.89Å; F88-A92 HydrophobicContact CD2-CB 4.19Å; F88-A92 HydrophobicContact CE1-CB 4.16Å; F88-A92 HydrophobicContact CE2-CB 3.82Å; F88-A92 HydrophobicContact CZ-CB 3.81Å; F88-A92 WeakPolarHBondContact O-CB 3.35Å; F88-A92 PolarHBondContact O-N 2.77Å; F88-E119 HydrophobicContact CE1-CB 4.31Å; F88-E119 HydrophobicContact CE2-CG 4.22Å; F88-E119 HydrophobicContact CZ-CB 3.99Å; F88-E119 HydrophobicContact CZ-CG 3.83Å; F88-F125 HydrophobicContact CE1-CB 3.85Å; F88-F125 HydrophobicContact CE1-CD1 4.19Å; F88-F125 AromaticContact CE1-CD2 3.65Å; F88-F125 HydrophobicContact CE1-CD2 3.65Å; F88-F125 HydrophobicContact CE1-CE2 4.23Å; F88-F125 AromaticContact CE1-CG 3.62Å; F88-F125 HydrophobicContact CE1-CG 3.62Å; F88-F125 HydrophobicContact CZ-CD1 4.28Å; F88-F125 AromaticContact CZ-CD2 3.56Å; F88-F125 HydrophobicContact CZ-CD2 3.56Å; F88-F125 HydrophobicContact CZ-CE1 4.36Å; F88-F125 AromaticContact CZ-CE2 3.66Å; F88-F125 HydrophobicContact CZ-CE2 3.66Å; F88-F125 AromaticContact CZ-CG 3.88Å; F88-F125 HydrophobicContact CZ-CG 3.88Å; F88-F125 HydrophobicContact CZ-CZ 4.06Å
89E84.1Confident77.6Confident48 Ų4847.9 Ų47.922%0.22426%0.258CS..Hα-helixtrans-61.6-40.2-179.7-77.6171.4-178.100111.6M85 T86 L91 L93 S122 P124M85-E89 VanDerWaalsContact O-CB 3.27Å; M85-E89 WeakPolarHBondContact O-CB 3.26Å; M85-E89 WeakPolarHBondContact O-CG 3.32Å; M85-E89 PolarHBondContact O-N 2.92Å; T86-E89 PolarHBondContact O-N 3.5Å; E89-L91 PolarHBondContact O-N 3.3Å; E89-L93 HydrophobicContact CB-CD1 3.86Å; E89-L93 HydrophobicContact CB-CG 4.24Å; E89-L93 HydrophobicContact CG-CD1 4.28Å; E89-L93 WeakPolarHBondContact O-CB 3.48Å; E89-L93 WeakPolarHBondContact O-CG 3.38Å; E89-L93 PolarHBondContact O-N 3.24Å; E89-S122 VanDerWaalsContact CG-OG 3.31Å; E89-S122 WeakPolarHBondContact CG-OG 3.4Å; E89-S122 WeakPolarHBondContact OE1-CB 3.46Å; E89-S122 PolarHBondContact OE1-OG 3.3Å; E89-P124 VanDerWaalsContact CD-CG 3.46Å; E89-P124 HydrophobicContact CG-CG 4Å; E89-P124 WeakPolarHBondContact OE1-CD 3.44Å; E89-P124 WeakPolarHBondContact OE1-CG 3.44Å
90Q83.2Confident76.6Confident150 Ų15046.8 Ų46.870%0.70123%0.234SC*.Hα-helixtrans-63.5-23.8175.9-75.6-163.9-8.600113.8T86 F88 P94T86-Q90 WeakPolarHBondContact O-CG 3.3Å; T86-Q90 PolarHBondContact O-N 2.84Å; F88-Q90 VanDerWaalsContact C-N 3.31Å; F88-Q90 PolarHBondContact O-N 3.14Å; Q90-P94 VanDerWaalsContact O-CD 3.23Å; Q90-P94 WeakPolarHBondContact O-CD 3.29Å; Q90-P94 WeakPolarHBondContact O-CG 3.32Å
91L82.7Confident75Confident20 Ų2046.1 Ų46.111%0.10524%0.242CC..Hα-helixtrans-95.8-44.7177.2-65.9172.6000112.4V52 T54 T58 S87 F88 E89 P94 V95V52-L91 HydrophobicContact CB-CD1 4.07Å; V52-L91 HydrophobicContact CG1-CB 4.29Å; V52-L91 HydrophobicContact CG1-CD1 4.16Å; T54-L91 HydrophobicContact CG2-CB 4.21Å; T54-L91 HydrophobicContact CG2-CD2 4.18Å; T58-L91 HydrophobicContact CG2-CD2 3.42Å; T58-L91 VanDerWaalsContact CG2-CD2 3.42Å; S87-L91 WeakPolarHBondContact O-CG 3.45Å; S87-L91 PolarHBondContact O-N 3.23Å; F88-L91 PolarHBondContact O-N 2.89Å; E89-L91 PolarHBondContact O-N 3.3Å; L91-P94 WeakPolarHBondContact O-CD 3.43Å; L91-P94 WeakPolarHBondContact O-CG 3.36Å; L91-V95 WeakPolarHBondContact O-CG2 3.32Å
92A80.3Confident73.2Confident0 Ų047.9 Ų47.90%026%0.258CS..Hα-helixtrans-77-40.7-173.900000112.7F36 F88 V95 L96 F125F36-A92 HydrophobicContact CD1-CB 4.11Å; F36-A92 HydrophobicContact CE1-CB 3.54Å; F36-A92 HydrophobicContact CZ-CB 4.01Å; F88-A92 HydrophobicContact CD2-CB 4.19Å; F88-A92 HydrophobicContact CE1-CB 4.16Å; F88-A92 HydrophobicContact CE2-CB 3.82Å; F88-A92 HydrophobicContact CZ-CB 3.81Å; F88-A92 WeakPolarHBondContact O-CB 3.35Å; F88-A92 PolarHBondContact O-N 2.77Å; A92-V95 PolarHBondContact O-N 3.36Å; A92-L96 VanDerWaalsContact O-CG 3.3Å; A92-L96 WeakPolarHBondContact O-CG 3.37Å; A92-L96 PolarHBondContact O-N 2.81Å; A92-F125 HydrophobicContact CB-CD2 3.94Å; A92-F125 HydrophobicContact CB-CE2 4.18Å
93L80.9Confident71.2Confident41 Ų4153.5 Ų53.522%0.21530%0.298CS..Hα-helixtrans-63.7-45.9-178.7-63.5177000113.9E89 V95 L96 R97 P124 A128E89-L93 HydrophobicContact CB-CD1 3.86Å; E89-L93 HydrophobicContact CB-CG 4.24Å; E89-L93 HydrophobicContact CG-CD1 4.28Å; E89-L93 WeakPolarHBondContact O-CB 3.48Å; E89-L93 WeakPolarHBondContact O-CG 3.38Å; E89-L93 PolarHBondContact O-N 3.24Å; L93-V95 VanDerWaalsContact C-N 3.3Å; L93-V95 PolarHBondContact O-N 3.47Å; L93-L96 PolarHBondContact O-N 2.6Å; L93-R97 WeakPolarHBondContact O-CB 3.4Å; L93-R97 WeakPolarHBondContact O-CG 3.29Å; L93-R97 PolarHBondContact O-N 3.01Å; L93-P124 HydrophobicContact CD1-CB 4.3Å; L93-P124 HydrophobicContact CD2-CB 4.09Å; L93-A128 HydrophobicContact CD2-CB 4.01Å
94P80.3Confident69.4Low56 Ų5655.1 Ų55.136%0.36432%0.316SS..Hα-helixtrans-66.3-34.6177.725.3-33.8000111.9Q90 L91 L96 R97 N98Q90-P94 VanDerWaalsContact O-CD 3.23Å; Q90-P94 WeakPolarHBondContact O-CD 3.29Å; Q90-P94 WeakPolarHBondContact O-CG 3.32Å; L91-P94 WeakPolarHBondContact O-CD 3.43Å; L91-P94 WeakPolarHBondContact O-CG 3.36Å; P94-L96 PolarHBondContact O-N 3.02Å; P94-R97 PolarHBondContact O-N 3.08Å; P94-N98 WeakPolarHBondContact O-CB 3.18Å; P94-N98 PolarHBondContact O-N 3.02Å; P94-N98 PolarHBondContact O-ND2 3.26Å
95V79.4Confident67.6Low7 Ų760.6 Ų60.64%0.04235%0.354CS..Hα-helixtrans-61.8-44.1175.6168.50000111.3F36 T54 L91 A92 L93 A99F36-V95 HydrophobicContact CD1-CG1 4.4Å; T54-V95 HydrophobicContact CG2-CG2 3.98Å; L91-V95 WeakPolarHBondContact O-CG2 3.32Å; A92-V95 PolarHBondContact O-N 3.36Å; L93-V95 VanDerWaalsContact C-N 3.3Å; L93-V95 PolarHBondContact O-N 3.47Å; V95-A99 PolarHBondContact O-N 3.4Å
96L74.1Confident66.5Low0 Ų060.3 Ų60.30%036%0.361CS..Hα-helixtrans-69.4-42.9177.1-65.8165.4000111.4A92 L93 P94 N98 A99 I112 F125 A128 V129 T132A92-L96 VanDerWaalsContact O-CG 3.3Å; A92-L96 WeakPolarHBondContact O-CG 3.37Å; A92-L96 PolarHBondContact O-N 2.81Å; L93-L96 PolarHBondContact O-N 2.6Å; P94-L96 PolarHBondContact O-N 3.02Å; L96-N98 PolarHBondContact O-N 2.78Å; L96-A99 WeakPolarHBondContact O-CB 3.2Å; L96-A99 PolarHBondContact O-N 2.89Å; L96-A99 VanDerWaalsContact O-N 3.08Å; L96-I112 HydrophobicContact CD2-CD1 3.77Å; L96-F125 HydrophobicContact CD1-CD2 3.79Å; L96-F125 HydrophobicContact CD1-CE2 3.85Å; L96-A128 HydrophobicContact CB-CB 3.97Å; L96-A128 HydrophobicContact CD1-CB 3.45Å; L96-A128 VanDerWaalsContact CD1-CB 3.45Å; L96-A128 HydrophobicContact CG-CB 4.3Å; L96-V129 HydrophobicContact CD1-CG2 4.25Å; L96-T132 HydrophobicContact CD2-CG2 4.44Å; L96-T132 WeakPolarHBondContact CD2-OG1 3.47Å
97R70Confident65.7Low170 Ų17059.9 Ų59.964%0.64236%0.355SS*.Hα-helixtrans-66.1-34176.8-78.3-178.9165179.6-3.5113.7L93 P94 A99 D100 C101L93-R97 WeakPolarHBondContact O-CB 3.4Å; L93-R97 WeakPolarHBondContact O-CG 3.29Å; L93-R97 PolarHBondContact O-N 3.01Å; P94-R97 PolarHBondContact O-N 3.08Å; R97-A99 PolarHBondContact O-N 2.67Å; R97-D100 WeakPolarHBondContact O-CB 3.27Å; R97-D100 PolarHBondContact O-N 2.84Å; R97-C101 PolarHBondContact O-N 3.1Å; R97-C101 VanDerWaalsContact O-N 3.07Å
98N62.1Low65.4Low81 Ų8161 Ų6143%0.43335%0.354SS..Hα-helixtrans-65.8-23.9174.2-75.4-17.9000111.6P94 L96 D100 R108P94-N98 WeakPolarHBondContact O-CB 3.18Å; P94-N98 PolarHBondContact O-N 3.02Å; P94-N98 PolarHBondContact O-ND2 3.26Å; L96-N98 PolarHBondContact O-N 2.78Å; N98-D100 VanDerWaalsContact C-N 3.29Å; N98-R108 PolarHBondContact O-NH1 2.89Å
99A57.3Low65.4Low9 Ų960.9 Ų60.97%0.07435%0.354CS..Hα-helixtrans-70.3-26.7169.800000112.3V95 L96 R97 T132 T138V95-A99 PolarHBondContact O-N 3.4Å; L96-A99 WeakPolarHBondContact O-CB 3.2Å; L96-A99 PolarHBondContact O-N 2.89Å; L96-A99 VanDerWaalsContact O-N 3.08Å; R97-A99 PolarHBondContact O-N 2.67Å; A99-T132 HydrophobicContact CB-CG2 4.44Å; A99-T138 HydrophobicContact CB-CG2 4.03Å
100D52.9Low65.5Low53 Ų5358.6 Ų58.628%0.28334%0.343SS..Hα-helixtrans-90.1-31.6-178-61.3-46.8000114.2R97 N98 T135R97-D100 WeakPolarHBondContact O-CB 3.27Å; R97-D100 PolarHBondContact O-N 2.84Å; N98-D100 VanDerWaalsContact C-N 3.29Å; D100-T135 PolarHBondContact OD1-OG1 2.64Å
101C41.3Very low65.8Low106 Ų10651.5 Ų51.572%0.71631%0.31SS*.SBendtrans-89.5-8.9-164.3-100.60000117.3R97R97-C101 PolarHBondContact O-N 3.1Å; R97-C101 VanDerWaalsContact O-N 3.07Å
102S39.9Very low66Low66 Ų6650.5 Ų50.546%0.46231%0.305SS..  trans-110.195.1179.5-78.80000110.9G104 R108S102-G104 PolarHBondContact O-N 3.4Å; S102-R108 PolarHBondContact OG-NH2 3.35Å
103S39.9Very low66.2Low132 Ų13250.5 Ų50.592%0.92331%0.305SS*.  trans-61.563.7161.4-52.40000111.7
104G43.7Very low66.2Low42 Ų4252 Ų5243%0.43331%0.311SS..  trans-101.3150.2164.400000109.9S102 G106S102-G104 PolarHBondContact O-N 3.4Å; G104-G106 PolarHBondContact O-N 3.5Å
105P43.5Very low66Low153 Ų15349.4 Ų49.499%0.99429%0.294SS*.SBendtrans-72.719.4-173.930.8-34.9000114.3
106G54.6Low65.7Low34 Ų3449.3 Ų49.335%0.35129%0.294SS..SBendtrans-119.8124.2-175.600000111.4G104 R108G104-G106 PolarHBondContact O-N 3.5Å; G106-R108 PolarHBondContact O-N 3.23Å
107Q63.9Low65.6Low52 Ų5254.8 Ų54.824%0.24332%0.318CS..  trans-58.8134.3171.5-73.8157.1-5800111.5G137 S188 R189Q107-G137 CarbonylContact C-O 3.5Å; Q107-G137 WeakPolarHBondContact CA-O 3.34Å; Q107-G137 WeakPolarHBondContact CB-O 2.93Å; Q107-G137 WeakPolarHBondContact CG-O 3.39Å; Q107-S188 PolarHBondContact NE2-O 3.27Å; Q107-R189 HydrophobicContact CB-CG 4.05Å; Q107-R189 VanDerWaalsContact OE1-CG 3.26Å; Q107-R189 PolarHBondContact OE1-O 2.89Å; Q107-R189 VanDerWaalsContact OE1-O 3.04Å
108R76.5Confident65.7Low57 Ų5748.1 Ų48.122%0.21529%0.294CS..EExtended strand (participates in β ladder)trans-101.8150-179.5-65.9-178.1172.6-153.3-11.2110.4P32 N98 S102 G106 G137 I139P32-R108 HydrophobicContact CB-CG 4.3Å; P32-R108 HydrophobicContact CG-CG 3.87Å; N98-R108 PolarHBondContact O-NH1 2.89Å; S102-R108 PolarHBondContact OG-NH2 3.35Å; G106-R108 PolarHBondContact O-N 3.23Å; R108-G137 PolarHBondContact N-O 2.66Å; R108-I139 PolarHBondContact O-N 3.09Å
109V82.8Confident66.1Low1 Ų144.5 Ų44.51%0.00628%0.275CS..EExtended strand (participates in β ladder)trans-108.7117.4172.9-177.40000108.3L26 V31 P32 V33 D34 V111 I139 L141 V185L26-V109 HydrophobicContact CD1-CB 4.45Å; L26-V109 HydrophobicContact CD1-CG1 4.04Å; L26-V109 HydrophobicContact CD1-CG2 4.23Å; V31-V109 HydrophobicContact CG1-CG2 3.82Å; P32-V109 PolarHBondContact O-N 3.18Å; V33-V109 WeakPolarHBondContact CA-O 3.27Å; V33-V109 HydrophobicContact CG1-CB 4.22Å; V33-V109 HydrophobicContact CG1-CG1 4.32Å; V33-V109 HydrophobicContact CG2-CB 4.3Å; D34-V109 PolarHBondContact N-O 2.94Å; V109-V111 HydrophobicContact CG1-CG2 4.32Å; V109-I139 CarbonylContact C-O 3.58Å; V109-I139 WeakPolarHBondContact CA-O 3.2Å; V109-I139 HydrophobicContact CG2-CB 4.29Å; V109-L141 HydrophobicContact CG1-CB 3.94Å; V109-V185 HydrophobicContact CG2-CG1 3.57Å
110C86.8Confident66.9Low1 Ų145.3 Ų45.31%0.00728%0.278CS..EExtended strand (participates in β ladder)trans-94.4116.9172.9-1730000109.5D34 T132 T138 I139 I140 L141D34-C110 CarbonylContact O-C 3.59Å; D34-C110 WeakPolarHBondContact O-CA 3.33Å; C110-T132 HydrophobicContact CB-CG2 4.26Å; C110-T138 HydrophobicContact CB-CG2 3.95Å; C110-I139 PolarHBondContact N-O 3.1Å; C110-I140 HydrophobicContact CB-CG1 4.48Å; C110-I140 CarbonylContact O-C 3.54Å; C110-I140 WeakPolarHBondContact O-CA 3.28Å; C110-L141 PolarHBondContact O-N 3.49Å
111V88.1Confident67.8Low0 Ų046.6 Ų46.60%028%0.281CS..EExtended strand (participates in β ladder)trans-94.9124.6179.7175.70000109.7I19 S23 V33 D34 G35 F36 L55 V109 L141I19-V111 HydrophobicContact CG2-CG1 3.17Å; S23-V111 WeakPolarHBondContact OG-CG2 3.2Å; V33-V111 HydrophobicContact CG1-CG2 3.44Å; V33-V111 VanDerWaalsContact CG1-CG2 3.44Å; D34-V111 PolarHBondContact O-N 2.88Å; G35-V111 CarbonylContact C-O 3.5Å; G35-V111 WeakPolarHBondContact CA-O 3.47Å; F36-V111 PolarHBondContact N-O 2.92Å; L55-V111 HydrophobicContact CD1-CB 3.99Å; L55-V111 HydrophobicContact CD1-CG2 4Å; V109-V111 HydrophobicContact CG1-CG2 4.32Å; V111-L141 CarbonylContact C-O 3.59Å; V111-L141 VanDerWaalsContact CA-O 3.25Å; V111-L141 WeakPolarHBondContact CA-O 3.42Å; V111-L141 HydrophobicContact CG2-CB 4.36Å; V111-L141 HydrophobicContact CG2-CD2 4.42Å
112I88.4Confident69.4Low0 Ų041.6 Ų41.60%025%0.247CC..EExtended strand (participates in β ladder)trans-133.892.5-179.7-52.2177.2000108.5F36 L96 E114 I115 F125 V129 I140 L141 G142 T143F36-I112 HydrophobicContact CE1-CG2 4.3Å; F36-I112 HydrophobicContact CE2-CG2 4.34Å; F36-I112 HydrophobicContact CZ-CG2 3.82Å; L96-I112 HydrophobicContact CD2-CD1 3.77Å; I112-E114 PolarHBondContact O-N 2.81Å; I112-I115 HydrophobicContact CB-CG1 4.49Å; I112-I115 HydrophobicContact CG2-CD1 4.03Å; I112-I115 HydrophobicContact CG2-CG1 3.65Å; I112-F125 HydrophobicContact CG2-CZ 3.95Å; I112-V129 HydrophobicContact CD1-CG2 4.18Å; I112-I140 HydrophobicContact CD1-CG2 3.94Å; I112-I140 HydrophobicContact CG1-CG2 4.34Å; I112-L141 PolarHBondContact N-O 2.83Å; I112-G142 CarbonylContact O-C 3.45Å; I112-G142 WeakPolarHBondContact O-CA 3.31Å; I112-T143 PolarHBondContact O-N 3.44Å; I112-T143 VanDerWaalsContact O-N 3.1Å
113D84Confident71.3Confident0 Ų043.9 Ų43.90%025%0.251CS..  trans-76.8128.1174.2-159.136.3000110.8T16 F36 T143T16-D113 WeakPolarHBondContact CB-OD2 3.29Å; T16-D113 WeakPolarHBondContact CG2-OD2 3.32Å; T16-D113 PolarHBondContact OG1-OD2 3.41Å; F36-D113 PolarHBondContact O-N 3.08Å; F36-D113 VanDerWaalsContact O-N 3.09Å; D113-T143 WeakPolarHBondContact OD1-CG2 3.24Å; D113-T143 PolarHBondContact OD1-OG1 3.43Å
114E80Confident73.4Confident73 Ų7339.7 Ų39.734%0.34122%0.22SC..  trans66.781.6173.2-154.6146.1169.600114.1I112 G116 E119 T143I112-E114 PolarHBondContact O-N 2.81Å; E114-G116 VanDerWaalsContact C-N 3.32Å; E114-G116 PolarHBondContact O-N 2.8Å; E114-G116 VanDerWaalsContact O-N 3.13Å; E114-E119 WeakPolarHBondContact O-CG 3.25Å; E114-E119 VanDerWaalsContact O-OE2 3.12Å; E114-T143 WeakPolarHBondContact CA-O 3.48Å; E114-T143 WeakPolarHBondContact CA-OG1 3.47Å; E114-T143 PolarHBondContact N-OG1 3.48Å
115I76.4Confident75.3Confident0 Ų037.7 Ų37.70%020%0.2CC..  trans-83.581.3164.9-54.9-176000108.2F6 I112 T143 I144 P145 L154 V155 I158F6-I115 HydrophobicContact CE1-CD1 3.65Å; F6-I115 HydrophobicContact CZ-CD1 4.41Å; I112-I115 HydrophobicContact CB-CG1 4.49Å; I112-I115 HydrophobicContact CG2-CD1 4.03Å; I112-I115 HydrophobicContact CG2-CG1 3.65Å; I115-T143 PolarHBondContact N-O 3.3Å; I115-I144 HydrophobicContact CB-CG2 4.23Å; I115-P145 WeakPolarHBondContact O-CD 3.48Å; I115-L154 HydrophobicContact CG2-CD2 3.82Å; I115-V155 HydrophobicContact CG2-CG2 4.39Å; I115-I158 HydrophobicContact CD1-CD1 3.97Å
116G74.2Confident77.1Confident5 Ų531.4 Ų31.45%0.05216%0.157CC..SBendtrans-115.4-161.4-173.100000113.9E114 M118 E119 L120E114-G116 VanDerWaalsContact C-N 3.32Å; E114-G116 PolarHBondContact O-N 2.8Å; E114-G116 VanDerWaalsContact O-N 3.13Å; G116-M118 VanDerWaalsContact C-N 3.26Å; G116-M118 PolarHBondContact O-N 3.12Å; G116-E119 VanDerWaalsContact C-OE2 3.25Å; G116-E119 WeakPolarHBondContact CA-OE2 3.36Å; G116-E119 PolarHBondContact N-OE2 3.02Å; G116-L120 VanDerWaalsContact O-CD1 3.27Å; G116-L120 WeakPolarHBondContact O-CD1 3.48Å; G116-L120 WeakPolarHBondContact O-CG 3.07Å; G116-L120 PolarHBondContact O-N 3.39Å
117K71.1Confident78.5Confident116 Ų11635.7 Ų35.750%0.50417%0.168SC..THydrogen-bonded Turntrans-66.1-29.8178.2-78179.3-177.6173.90112.4F121 L152K117-F121 WeakPolarHBondContact O-CD2 3.38Å; K117-F121 WeakPolarHBondContact O-CE2 3.28Å; K117-L152 HydrophobicContact CG-CD1 4.16Å; K117-L152 HydrophobicContact CG-CD2 3.92Å
118M72.4Confident79.5Confident29 Ų2933.6 Ų33.614%0.14316%0.16CC..THydrogen-bonded Turntrans-73.7-39.4-173.5-69.9-178.2175.700111.3F50 V78 Y81 V83 G116F50-M118 HydrophobicContact CD2-CE 4.5Å; F50-M118 HydrophobicContact CD2-SD 4.4Å; V78-M118 HydrophobicContact CB-CE 3.87Å; V78-M118 HydrophobicContact CB-CG 4.1Å; V78-M118 HydrophobicContact CG1-CE 3.77Å; V78-M118 HydrophobicContact CG1-CG 4.19Å; V78-M118 HydrophobicContact CG2-CG 3.79Å; Y81-M118 HydrophobicContact CD2-CE 4.16Å; Y81-M118 HydrophobicContact CG-CE 4.39Å; V83-M118 HydrophobicContact CG2-CB 4.26Å; V83-M118 HydrophobicContact CG2-CG 4.14Å; G116-M118 VanDerWaalsContact C-N 3.26Å; G116-M118 PolarHBondContact O-N 3.12Å
119E71.1Confident79.8Confident5 Ų530.9 Ų30.92%0.02315%0.149CC..G310 helixtrans-77.6-31.4-176.9-59.171.5-153.800111.4F88 E114 G116 F121 S122 F125F88-E119 HydrophobicContact CE1-CB 4.31Å; F88-E119 HydrophobicContact CE2-CG 4.22Å; F88-E119 HydrophobicContact CZ-CB 3.99Å; F88-E119 HydrophobicContact CZ-CG 3.83Å; E114-E119 WeakPolarHBondContact O-CG 3.25Å; E114-E119 VanDerWaalsContact O-OE2 3.12Å; G116-E119 VanDerWaalsContact C-OE2 3.25Å; G116-E119 WeakPolarHBondContact CA-OE2 3.36Å; G116-E119 PolarHBondContact N-OE2 3.02Å; E119-F121 PolarHBondContact O-N 2.81Å; E119-S122 PolarHBondContact O-N 2.63Å; E119-S122 VanDerWaalsContact O-N 3.08Å; E119-F125 HydrophobicContact CB-CD1 3.98Å; E119-F125 HydrophobicContact CB-CE1 3.69Å; E119-F125 HydrophobicContact CB-CZ 4.36Å; E119-F125 HydrophobicContact CG-CE1 4.47Å
120L72.8Confident79.9Confident26 Ų2635.9 Ų35.914%0.13617%0.168CC..G310 helixtrans-72.4-5.5179.7-68.9172.5000114.8G116 I126 L152 L154G116-L120 VanDerWaalsContact O-CD1 3.27Å; G116-L120 WeakPolarHBondContact O-CD1 3.48Å; G116-L120 WeakPolarHBondContact O-CG 3.07Å; G116-L120 PolarHBondContact O-N 3.39Å; L120-I126 HydrophobicContact CD2-CD1 3.95Å; L120-I126 HydrophobicContact CD2-CG1 3.73Å; L120-L152 HydrophobicContact CD1-CB 3.51Å; L120-L152 HydrophobicContact CD1-CD1 3.59Å; L120-L152 HydrophobicContact CD1-CD2 3.37Å; L120-L152 HydrophobicContact CD1-CG 3.63Å; L120-L154 HydrophobicContact CD2-CB 3.55Å; L120-L154 HydrophobicContact CD2-CD2 3.55Å; L120-L154 HydrophobicContact CD2-CG 4.18Å
121F72.4Confident79.7Confident80 Ų8041.2 Ų41.235%0.35119%0.193SC..G310 helixtrans-68-28166.8-79-79.7000112C76 V78 M85 K117 E119 Q123C76-F121 HydrophobicContact CB-CB 4.33Å; C76-F121 HydrophobicContact CB-CD1 4.14Å; C76-F121 HydrophobicContact CB-CG 4.13Å; C76-F121 WeakPolarHBondContact SG-CD1 3.48Å; V78-F121 HydrophobicContact CG2-CD2 4.26Å; V78-F121 HydrophobicContact CG2-CE2 3.47Å; V78-F121 VanDerWaalsContact CG2-CE2 3.47Å; V78-F121 HydrophobicContact CG2-CZ 4.22Å; M85-F121 HydrophobicContact CG-CB 4.46Å; M85-F121 HydrophobicContact SD-CB 3.94Å; K117-F121 WeakPolarHBondContact O-CD2 3.38Å; K117-F121 WeakPolarHBondContact O-CE2 3.28Å; E119-F121 PolarHBondContact O-N 2.81Å; F121-Q123 PolarHBondContact O-N 2.8Å
122S75.9Confident79.3Confident1 Ų141.2 Ų41.21%0.00719%0.193CC..  trans-86.3107.2178.2178.30000110.8E89 E119 P124 F125 I126E89-S122 VanDerWaalsContact CG-OG 3.31Å; E89-S122 WeakPolarHBondContact CG-OG 3.4Å; E89-S122 WeakPolarHBondContact OE1-CB 3.46Å; E89-S122 PolarHBondContact OE1-OG 3.3Å; E119-S122 PolarHBondContact O-N 2.63Å; E119-S122 VanDerWaalsContact O-N 3.08Å; S122-P124 VanDerWaalsContact OG-CD 3.29Å; S122-P124 WeakPolarHBondContact OG-CD 3.38Å; S122-P124 VanDerWaalsContact OG-CG 3.32Å; S122-P124 WeakPolarHBondContact OG-CG 3.43Å; S122-F125 WeakPolarHBondContact O-CB 3.47Å; S122-F125 PolarHBondContact O-N 3.36Å; S122-F125 WeakPolarHBondContact OG-CB 3.47Å; S122-F125 PolarHBondContact OG-N 3.22Å; S122-I126 WeakPolarHBondContact O-CG1 3.48Å; S122-I126 PolarHBondContact O-N 3.2Å
123Q79.7Confident78.8Confident115 Ų11541.4 Ų41.454%0.53719%0.194SC..Hα-helixtrans-59.2-43.2170-68.5-62-3800114F121 F125 I126 Q127F121-Q123 PolarHBondContact O-N 2.8Å; Q123-F125 VanDerWaalsContact C-N 3.26Å; Q123-F125 PolarHBondContact O-N 2.89Å; Q123-I126 WeakPolarHBondContact O-CB 3.44Å; Q123-I126 PolarHBondContact O-N 3.18Å; Q123-Q127 PolarHBondContact O-N 3.2Å; Q123-Q127 VanDerWaalsContact O-N 3.08Å
124P82.2Confident78.6Confident43 Ų4345.3 Ų45.328%0.27922%0.221SC..Hα-helixtrans-66.1-30.6178.726.5-34.8000111.9E89 L93 S122 Q127 A128E89-P124 VanDerWaalsContact CD-CG 3.46Å; E89-P124 HydrophobicContact CG-CG 4Å; E89-P124 WeakPolarHBondContact OE1-CD 3.44Å; E89-P124 WeakPolarHBondContact OE1-CG 3.44Å; L93-P124 HydrophobicContact CD1-CB 4.3Å; L93-P124 HydrophobicContact CD2-CB 4.09Å; S122-P124 VanDerWaalsContact OG-CD 3.29Å; S122-P124 WeakPolarHBondContact OG-CD 3.38Å; S122-P124 VanDerWaalsContact OG-CG 3.32Å; S122-P124 WeakPolarHBondContact OG-CG 3.43Å; P124-Q127 PolarHBondContact O-N 3.38Å; P124-A128 WeakPolarHBondContact O-CB 3.42Å; P124-A128 PolarHBondContact O-N 3.08Å
125F83.8Confident78.3Confident1 Ų143.8 Ų43.80%0.00422%0.217CC..Hα-helixtrans-62.7-46.3171.3179-104.6000112.4F36 F88 A92 L96 I112 E119 S122 Q123 Q127 A128 V129F36-F125 AromaticContact CE1-CE2 3.92Å; F36-F125 HydrophobicContact CE1-CE2 3.92Å; F36-F125 AromaticContact CZ-CE2 3.64Å; F36-F125 HydrophobicContact CZ-CE2 3.64Å; F36-F125 HydrophobicContact CZ-CZ 4.02Å; F88-F125 HydrophobicContact CE1-CB 3.85Å; F88-F125 HydrophobicContact CE1-CD1 4.19Å; F88-F125 AromaticContact CE1-CD2 3.65Å; F88-F125 HydrophobicContact CE1-CD2 3.65Å; F88-F125 HydrophobicContact CE1-CE2 4.23Å; F88-F125 AromaticContact CE1-CG 3.62Å; F88-F125 HydrophobicContact CE1-CG 3.62Å; F88-F125 HydrophobicContact CZ-CD1 4.28Å; F88-F125 AromaticContact CZ-CD2 3.56Å; F88-F125 HydrophobicContact CZ-CD2 3.56Å; F88-F125 HydrophobicContact CZ-CE1 4.36Å; F88-F125 AromaticContact CZ-CE2 3.66Å; F88-F125 HydrophobicContact CZ-CE2 3.66Å; F88-F125 AromaticContact CZ-CG 3.88Å; F88-F125 HydrophobicContact CZ-CG 3.88Å; F88-F125 HydrophobicContact CZ-CZ 4.06Å; A92-F125 HydrophobicContact CB-CD2 3.94Å; A92-F125 HydrophobicContact CB-CE2 4.18Å; L96-F125 HydrophobicContact CD1-CD2 3.79Å; L96-F125 HydrophobicContact CD1-CE2 3.85Å; I112-F125 HydrophobicContact CG2-CZ 3.95Å; E119-F125 HydrophobicContact CB-CD1 3.98Å; E119-F125 HydrophobicContact CB-CE1 3.69Å; E119-F125 HydrophobicContact CB-CZ 4.36Å; E119-F125 HydrophobicContact CG-CE1 4.47Å; S122-F125 WeakPolarHBondContact O-CB 3.47Å; S122-F125 PolarHBondContact O-N 3.36Å; S122-F125 WeakPolarHBondContact OG-CB 3.47Å; S122-F125 PolarHBondContact OG-N 3.22Å; Q123-F125 VanDerWaalsContact C-N 3.26Å; Q123-F125 PolarHBondContact O-N 2.89Å; F125-Q127 VanDerWaalsContact C-N 3.29Å; F125-Q127 PolarHBondContact O-N 3.49Å; F125-A128 PolarHBondContact O-N 3.36Å; F125-V129 HydrophobicContact CD1-CG2 4.24Å; F125-V129 HydrophobicContact CD2-CG2 4.28Å; F125-V129 HydrophobicContact CE1-CG2 3.8Å; F125-V129 HydrophobicContact CE2-CG2 3.85Å; F125-V129 HydrophobicContact CG-CG2 4.46Å; F125-V129 HydrophobicContact CZ-CG2 3.6Å; F125-V129 WeakPolarHBondContact O-CG2 3.17Å; F125-V129 PolarHBondContact O-N 3.35Å
126I83.1Confident78Confident20 Ų2048.9 Ų48.910%0.10325%0.25CC..Hα-helixtrans-56.6-45.3176.4-65.5168.2000110.7L120 S122 Q123 R130 L154L120-I126 HydrophobicContact CD2-CD1 3.95Å; L120-I126 HydrophobicContact CD2-CG1 3.73Å; S122-I126 WeakPolarHBondContact O-CG1 3.48Å; S122-I126 PolarHBondContact O-N 3.2Å; Q123-I126 WeakPolarHBondContact O-CB 3.44Å; Q123-I126 PolarHBondContact O-N 3.18Å; I126-R130 WeakPolarHBondContact O-CG 3.29Å; I126-R130 PolarHBondContact O-N 2.86Å; I126-R130 VanDerWaalsContact O-N 3.08Å; I126-L154 HydrophobicContact CG1-CD2 4.43Å; I126-L154 HydrophobicContact CG2-CD1 4.2Å
127Q83.9Confident77.8Confident125 Ų12550.1 Ų50.158%0.58426%0.263SS*.Hα-helixtrans-64.1-44.7177.8-70.2-175.2-18.700111.9Q123 P124 F125 V129 R130 Q131Q123-Q127 PolarHBondContact O-N 3.2Å; Q123-Q127 VanDerWaalsContact O-N 3.08Å; P124-Q127 PolarHBondContact O-N 3.38Å; F125-Q127 VanDerWaalsContact C-N 3.29Å; F125-Q127 PolarHBondContact O-N 3.49Å; Q127-V129 PolarHBondContact O-N 3.43Å; Q127-R130 WeakPolarHBondContact O-CB 3.17Å; Q127-R130 PolarHBondContact O-N 3.41Å; Q127-Q131 WeakPolarHBondContact O-CG 3.33Å; Q127-Q131 PolarHBondContact O-N 3.07Å
128A84Confident78.1Confident7 Ų745 Ų456%0.05824%0.241CC..Hα-helixtrans-64.8-39.8179.700000112.4L93 L96 P124 F125 Q131 T132L93-A128 HydrophobicContact CD2-CB 4.01Å; L96-A128 HydrophobicContact CB-CB 3.97Å; L96-A128 HydrophobicContact CD1-CB 3.45Å; L96-A128 VanDerWaalsContact CD1-CB 3.45Å; L96-A128 HydrophobicContact CG-CB 4.3Å; P124-A128 WeakPolarHBondContact O-CB 3.42Å; P124-A128 PolarHBondContact O-N 3.08Å; F125-A128 PolarHBondContact O-N 3.36Å; A128-Q131 PolarHBondContact O-N 3.08Å; A128-T132 WeakPolarHBondContact O-CB 3.35Å; A128-T132 PolarHBondContact O-N 3.18Å; A128-T132 PolarHBondContact O-OG1 3.05Å
129V83.5Confident78.7Confident0 Ų043.7 Ų43.70%024%0.235CC..Hα-helixtrans-62.9-43.1173.4173.10000111L96 I112 F125 Q127 Q131 T132 L133 L154 I158L96-V129 HydrophobicContact CD1-CG2 4.25Å; I112-V129 HydrophobicContact CD1-CG2 4.18Å; F125-V129 HydrophobicContact CD1-CG2 4.24Å; F125-V129 HydrophobicContact CD2-CG2 4.28Å; F125-V129 HydrophobicContact CE1-CG2 3.8Å; F125-V129 HydrophobicContact CE2-CG2 3.85Å; F125-V129 HydrophobicContact CG-CG2 4.46Å; F125-V129 HydrophobicContact CZ-CG2 3.6Å; F125-V129 WeakPolarHBondContact O-CG2 3.17Å; F125-V129 PolarHBondContact O-N 3.35Å; Q127-V129 PolarHBondContact O-N 3.43Å; V129-Q131 VanDerWaalsContact C-N 3.33Å; V129-Q131 PolarHBondContact O-N 3.46Å; V129-T132 PolarHBondContact O-N 3.1Å; V129-L133 HydrophobicContact CG1-CD1 3.92Å; V129-L133 HydrophobicContact CG1-CG 4.38Å; V129-L133 WeakPolarHBondContact O-CB 3.12Å; V129-L133 VanDerWaalsContact O-CG 3.28Å; V129-L133 WeakPolarHBondContact O-CG 3.37Å; V129-L133 PolarHBondContact O-N 2.86Å; V129-L154 HydrophobicContact CB-CD2 4.45Å; V129-L154 HydrophobicContact CG1-CD1 4.45Å; V129-L154 HydrophobicContact CG1-CD2 4.26Å; V129-I158 HydrophobicContact CG1-CD1 4.32Å
130R83.5Confident79.4Confident107 Ų10743.5 Ų43.540%0.40423%0.234SC..Hα-helixtrans-62.7-38.8176.1-78.9177.9166.5176.5-1.7112.9I126 Q127 S134 L154 E157I126-R130 WeakPolarHBondContact O-CG 3.29Å; I126-R130 PolarHBondContact O-N 2.86Å; I126-R130 VanDerWaalsContact O-N 3.08Å; Q127-R130 WeakPolarHBondContact O-CB 3.17Å; Q127-R130 PolarHBondContact O-N 3.41Å; R130-S134 WeakPolarHBondContact O-CB 3.2Å; R130-S134 PolarHBondContact O-N 2.97Å; R130-S134 VanDerWaalsContact O-N 3.14Å; R130-S134 PolarHBondContact O-OG 3.39Å; R130-L154 HydrophobicContact CG-CD1 4.14Å; R130-E157 WeakPolarHBondContact CG-OE1 3.14Å; R130-E157 IonicContact CZ-OE1 2.7Å; R130-E157 IonicContact CZ-OE2 3.02Å; R130-E157 IonicContact NE-OE1 2.66Å; R130-E157 PolarHBondContact NE-OE1 3.33Å; R130-E157 IonicContact NE-OE2 3.93Å; R130-E157 PolarHBondContact NE-OE2 3.31Å; R130-E157 IonicContact NH2-OE1 3.07Å; R130-E157 IonicContact NH2-OE2 3.95Å; R130-E157 PolarHBondContact NH2-OE2 3.14Å
131Q82.4Confident80.2Confident113 Ų11342.2 Ų42.253%0.52823%0.227SC..Hα-helixtrans-64-50.6173.6-74.9-176.7-3100110.2Q127 A128 V129 L133 S134 T135Q127-Q131 WeakPolarHBondContact O-CG 3.33Å; Q127-Q131 PolarHBondContact O-N 3.07Å; A128-Q131 PolarHBondContact O-N 3.08Å; V129-Q131 VanDerWaalsContact C-N 3.33Å; V129-Q131 PolarHBondContact O-N 3.46Å; Q131-L133 VanDerWaalsContact C-N 3.27Å; Q131-L133 PolarHBondContact O-N 2.88Å; Q131-S134 CarbonylContact O-C 3.59Å; Q131-S134 WeakPolarHBondContact O-CA 3.37Å; Q131-S134 WeakPolarHBondContact O-CB 3.49Å; Q131-S134 PolarHBondContact O-N 2.84Å; Q131-T135 PolarHBondContact O-N 2.77Å; Q131-T135 PolarHBondContact O-OG1 2.8Å
132T80.9Confident81Confident0 Ų038.4 Ų38.40%021%0.211CC..Hα-helixtrans-57.5-38.6178.4-510000112.4L96 A99 C110 A128 V129 S134 T135 T138 I140L96-T132 HydrophobicContact CD2-CG2 4.44Å; L96-T132 WeakPolarHBondContact CD2-OG1 3.47Å; A99-T132 HydrophobicContact CB-CG2 4.44Å; C110-T132 HydrophobicContact CB-CG2 4.26Å; A128-T132 WeakPolarHBondContact O-CB 3.35Å; A128-T132 PolarHBondContact O-N 3.18Å; A128-T132 PolarHBondContact O-OG1 3.05Å; V129-T132 PolarHBondContact O-N 3.1Å; T132-S134 VanDerWaalsContact C-N 3.28Å; T132-S134 PolarHBondContact O-N 3.08Å; T132-T135 PolarHBondContact O-N 2.88Å; T132-T138 HydrophobicContact CG2-CG2 3.55Å; T132-I140 HydrophobicContact CG2-CD1 3.62Å; T132-I140 HydrophobicContact CG2-CG1 3.83Å
133L78.1Confident81.5Confident4 Ų438.4 Ų38.42%0.02121%0.211CC..Hα-helixtrans-70.8-22.1174.6-73.8166.9000113.6H4 V129 Q131 I140 I158 R161H4-L133 HydrophobicContact CB-CD2 4.43Å; V129-L133 HydrophobicContact CG1-CD1 3.92Å; V129-L133 HydrophobicContact CG1-CG 4.38Å; V129-L133 WeakPolarHBondContact O-CB 3.12Å; V129-L133 VanDerWaalsContact O-CG 3.28Å; V129-L133 WeakPolarHBondContact O-CG 3.37Å; V129-L133 PolarHBondContact O-N 2.86Å; Q131-L133 VanDerWaalsContact C-N 3.27Å; Q131-L133 PolarHBondContact O-N 2.88Å; L133-I140 HydrophobicContact CB-CD1 4.49Å; L133-I140 HydrophobicContact CD2-CD1 3.54Å; L133-I140 HydrophobicContact CD2-CG1 4.3Å; L133-I140 HydrophobicContact CG-CD1 3.59Å; L133-I158 HydrophobicContact CD1-CD1 4.37Å; L133-I158 HydrophobicContact CD1-CG1 3.8Å; L133-R161 PolarHBondContact O-NH2 2.62Å
134S78.4Confident81.8Confident82 Ų8233.1 Ų33.157%0.57319%0.186SC*.Hα-helixtrans-92.7-21.7178.4-55.50000111.8R130 Q131 T132 P136R130-S134 WeakPolarHBondContact O-CB 3.2Å; R130-S134 PolarHBondContact O-N 2.97Å; R130-S134 VanDerWaalsContact O-N 3.14Å; R130-S134 PolarHBondContact O-OG 3.39Å; Q131-S134 CarbonylContact O-C 3.59Å; Q131-S134 WeakPolarHBondContact O-CA 3.37Å; Q131-S134 WeakPolarHBondContact O-CB 3.49Å; Q131-S134 PolarHBondContact O-N 2.84Å; T132-S134 VanDerWaalsContact C-N 3.28Å; T132-S134 PolarHBondContact O-N 3.08Å; S134-P136 VanDerWaalsContact O-CD 3.31Å; S134-P136 WeakPolarHBondContact O-CD 3.22Å
135T74.6Confident81.7Confident41 Ų4133.1 Ų33.125%0.25219%0.186SC..SBendtrans-68.7114.9179.6-61.50000110.9D100 Q131 T132 G137 T138D100-T135 PolarHBondContact OD1-OG1 2.64Å; Q131-T135 PolarHBondContact O-N 2.77Å; Q131-T135 PolarHBondContact O-OG1 2.8Å; T132-T135 PolarHBondContact O-N 2.88Å; T135-G137 PolarHBondContact O-N 2.83Å; T135-T138 PolarHBondContact O-N 2.79Å
136P69.3Low81.2Confident106 Ų10635 Ų3569%0.68820%0.198SC*.THydrogen-bonded Turntrans-71122.2175.628.9-31.7000109.5S134S134-P136 VanDerWaalsContact O-CD 3.31Å; S134-P136 WeakPolarHBondContact O-CD 3.22Å
137G71Confident80.2Confident31 Ų3138.8 Ų38.832%0.3222%0.223SC..THydrogen-bonded Turntrans116.4-12.3-178.900000114.2Q107 R108 T135Q107-G137 CarbonylContact C-O 3.5Å; Q107-G137 WeakPolarHBondContact CA-O 3.34Å; Q107-G137 WeakPolarHBondContact CB-O 2.93Å; Q107-G137 WeakPolarHBondContact CG-O 3.39Å; R108-G137 PolarHBondContact N-O 2.66Å; T135-G137 PolarHBondContact O-N 2.83Å
138T77.3Confident78.7Confident8 Ų841.5 Ų41.55%0.04923%0.233CC..EExtended strand (participates in β ladder)trans-104.5125.3176.5-57.10000111.1H4 A99 C110 T132 T135H4-T138 PolarHBondContact CE1-O 3.3Å; H4-T138 VanDerWaalsContact CE1-O 3.3Å; A99-T138 HydrophobicContact CB-CG2 4.03Å; C110-T138 HydrophobicContact CB-CG2 3.95Å; T132-T138 HydrophobicContact CG2-CG2 3.55Å; T135-T138 PolarHBondContact O-N 2.79Å
139I84Confident77.4Confident3 Ų344.5 Ų44.52%0.01526%0.264CS..EExtended strand (participates in β ladder)trans-97.2129.4172.6-64.8169000107R3 R108 V109 C110 V185 R189R3-I139 WeakPolarHBondContact O-CG1 3.19Å; R3-I139 VanDerWaalsContact O-CG2 3.26Å; R3-I139 WeakPolarHBondContact O-CG2 3.34Å; R108-I139 PolarHBondContact O-N 3.09Å; V109-I139 CarbonylContact C-O 3.58Å; V109-I139 WeakPolarHBondContact CA-O 3.2Å; V109-I139 HydrophobicContact CG2-CB 4.29Å; C110-I139 PolarHBondContact N-O 3.1Å; I139-V185 HydrophobicContact CD1-CG1 4.1Å; I139-V185 WeakPolarHBondContact CD1-O 3.5Å; I139-V185 HydrophobicContact CG2-CG1 4.09Å; I139-V185 HydrophobicContact CG2-CG2 4.15Å; I139-R189 HydrophobicContact CD1-CG 3.75Å
140I87.1Confident76.1Confident0 Ų052.9 Ų52.90%030%0.301CS..EExtended strand (participates in β ladder)trans-98.2128.1174.3-59-172.1000107.6H4 V5 F6 C110 I112 T132 L133H4-I140 HydrophobicContact CB-CB 4.26Å; H4-I140 PolarHBondContact ND1-N 2.84Å; V5-I140 PolarHBondContact N-O 3.13Å; V5-I140 VanDerWaalsContact O-O 3.06Å; F6-I140 HydrophobicContact CE1-CG2 4.04Å; F6-I140 HydrophobicContact CE2-CB 4.49Å; F6-I140 HydrophobicContact CE2-CG2 4.31Å; F6-I140 HydrophobicContact CZ-CB 4.2Å; F6-I140 HydrophobicContact CZ-CG2 3.61Å; C110-I140 HydrophobicContact CB-CG1 4.48Å; C110-I140 CarbonylContact O-C 3.54Å; C110-I140 WeakPolarHBondContact O-CA 3.28Å; I112-I140 HydrophobicContact CD1-CG2 3.94Å; I112-I140 HydrophobicContact CG1-CG2 4.34Å; T132-I140 HydrophobicContact CG2-CD1 3.62Å; T132-I140 HydrophobicContact CG2-CG1 3.83Å; L133-I140 HydrophobicContact CB-CD1 4.49Å; L133-I140 HydrophobicContact CD2-CD1 3.54Å; L133-I140 HydrophobicContact CD2-CG1 4.3Å; L133-I140 HydrophobicContact CG-CD1 3.59Å
141L88.3Confident74.9Confident0 Ų052 Ų520%031%0.309CS..EExtended strand (participates in β ladder)trans-114.2101.5169.8-179.764000108.2V5 L7 I19 A22 L26 V109 C110 V111 I112 I181V5-L141 HydrophobicContact CB-CD1 3.86Å; V5-L141 HydrophobicContact CG1-CD1 3.79Å; V5-L141 VanDerWaalsContact O-CA 3.28Å; V5-L141 WeakPolarHBondContact O-CA 3.33Å; L7-L141 HydrophobicContact CD1-CD1 3.91Å; I19-L141 HydrophobicContact CG1-CG 4.47Å; A22-L141 HydrophobicContact CB-CD2 3.96Å; L26-L141 HydrophobicContact CD1-CD2 4.45Å; V109-L141 HydrophobicContact CG1-CB 3.94Å; C110-L141 PolarHBondContact O-N 3.49Å; V111-L141 CarbonylContact C-O 3.59Å; V111-L141 VanDerWaalsContact CA-O 3.25Å; V111-L141 WeakPolarHBondContact CA-O 3.42Å; V111-L141 HydrophobicContact CG2-CB 4.36Å; V111-L141 HydrophobicContact CG2-CD2 4.42Å; I112-L141 PolarHBondContact N-O 2.83Å; L141-I181 HydrophobicContact CD1-CG2 3.6Å; L141-I181 HydrophobicContact CD2-CG2 4.4Å
142G89.3Confident74.3Confident0 Ų048.3 Ų48.30%029%0.293CS..EExtended strand (participates in β ladder)trans-134171.2-176.700000114.9V5 F6 L7 I112V5-G142 PolarHBondContact O-N 2.78Å; F6-G142 CarbonylContact C-O 3.54Å; F6-G142 WeakPolarHBondContact CA-O 3.2Å; L7-G142 PolarHBondContact N-O 3.08Å; I112-G142 CarbonylContact O-C 3.45Å; I112-G142 WeakPolarHBondContact O-CA 3.31Å
143T87.4Confident74Confident1 Ų151.9 Ų51.91%0.00632%0.323CS..EExtended strand (participates in β ladder)trans-111.4138.6168.559.50000111.1L7 K15 I19 I112 D113 E114 I115L7-T143 HydrophobicContact CB-CG2 3.75Å; L7-T143 HydrophobicContact CD1-CG2 4.18Å; L7-T143 CarbonylContact O-C 3.49Å; L7-T143 WeakPolarHBondContact O-CA 3.06Å; K15-T143 HydrophobicContact CB-CG2 3.57Å; K15-T143 HydrophobicContact CD-CG2 4.07Å; K15-T143 HydrophobicContact CG-CG2 4.36Å; I19-T143 HydrophobicContact CD1-CG2 3.42Å; I19-T143 VanDerWaalsContact CD1-CG2 3.42Å; I19-T143 HydrophobicContact CG1-CG2 4.09Å; I112-T143 PolarHBondContact O-N 3.44Å; I112-T143 VanDerWaalsContact O-N 3.1Å; D113-T143 WeakPolarHBondContact OD1-CG2 3.24Å; D113-T143 PolarHBondContact OD1-OG1 3.43Å; E114-T143 WeakPolarHBondContact CA-O 3.48Å; E114-T143 WeakPolarHBondContact CA-OG1 3.47Å; E114-T143 PolarHBondContact N-OG1 3.48Å; I115-T143 PolarHBondContact N-O 3.3Å
144I86.3Confident73.9Confident4 Ų452 Ų522%0.02132%0.323CS..EExtended strand (participates in β ladder)trans-118.8138.2173.954177000109.1F6 L7 T8 I115 V155 V166F6-I144 HydrophobicContact CB-CD1 4.19Å; F6-I144 HydrophobicContact CB-CG1 4.25Å; F6-I144 HydrophobicContact CD1-CG2 3.76Å; F6-I144 HydrophobicContact CE1-CG2 4.35Å; F6-I144 HydrophobicContact CG-CG2 4.47Å; L7-I144 PolarHBondContact O-N 3.48Å; T8-I144 WeakPolarHBondContact CA-O 3.48Å; T8-I144 PolarHBondContact OG1-O 3.29Å; I115-I144 HydrophobicContact CB-CG2 4.23Å; I144-V155 HydrophobicContact CB-CG1 4.04Å; I144-V155 HydrophobicContact CD1-CG1 4.23Å; I144-V155 HydrophobicContact CG2-CG1 4.19Å; I144-V155 HydrophobicContact CG2-CG2 4.48Å; I144-V166 HydrophobicContact CD1-CG1 4.09Å; I144-V166 HydrophobicContact CD1-CG2 4.29Å
145P79.3Confident73.9Confident42 Ų4248.8 Ų48.827%0.27330%0.3SS..EExtended strand (participates in β ladder)trans-61.2151.5174.627.1-33.6000109.9I115 L152I115-P145 WeakPolarHBondContact O-CD 3.48Å; P145-L152 HydrophobicContact CG-CD1 4.33Å
146V73.1Confident74.2Confident42 Ų4251.7 Ų51.726%0.25531%0.311SS..  trans-58.1141.1170.1-70.40000109.1K148V146-K148 HydrophobicContact CG2-CB 4.42Å; V146-K148 HydrophobicContact CG2-CD 4.18Å; V146-K148 HydrophobicContact CG2-CG 4.11Å; V146-K148 PolarHBondContact O-N 3.21Å
147P63.6Low74.8Confident98 Ų9849.6 Ų49.664%0.63629%0.292SS*.SBendtrans-67.382.9176.729.5-36000109.3
148K51.2Low75.3Confident182 Ų18248.1 Ų48.179%0.79128%0.277SS*.  trans-122.8106172.6-83.1-169.7172.4-175.40108.2V146V146-K148 HydrophobicContact CG2-CB 4.42Å; V146-K148 HydrophobicContact CG2-CD 4.18Å; V146-K148 HydrophobicContact CG2-CG 4.11Å; V146-K148 PolarHBondContact O-N 3.21Å
149G57.8Low75.4Confident70 Ų7054.8 Ų54.872%0.72230%0.301SS*.SBendtrans103-145.9177.700000113.6
150K54.8Low75.3Confident176 Ų17660.9 Ų60.977%0.76533%0.333SS*.SBendtrans-57.5126.8-176.9-79.1-176.5178.1-179.90111.1L152K150-L152 PolarHBondContact O-N 2.92Å
151P58Low74.9Confident89 Ų8964.1 Ų64.158%0.57835%0.346SS*.  trans-61.9127.1174.124-30.5000109.2E156P151-E156 HydrophobicContact CB-CG 4.01Å; P151-E156 VanDerWaalsContact CB-OE2 3.29Å; P151-E156 WeakPolarHBondContact CB-OE2 3.43Å
152L69.8Low74.2Confident35 Ų3573.7 Ų73.718%0.18339%0.387CS..  trans-86.5114171.6-71173.5000106.7K117 L120 P145 K150 L154 V155 E156K117-L152 HydrophobicContact CG-CD1 4.16Å; K117-L152 HydrophobicContact CG-CD2 3.92Å; L120-L152 HydrophobicContact CD1-CB 3.51Å; L120-L152 HydrophobicContact CD1-CD1 3.59Å; L120-L152 HydrophobicContact CD1-CD2 3.37Å; L120-L152 HydrophobicContact CD1-CG 3.63Å; P145-L152 HydrophobicContact CG-CD1 4.33Å; K150-L152 PolarHBondContact O-N 2.92Å; L152-L154 PolarHBondContact O-N 3.27Å; L152-L154 VanDerWaalsContact O-N 3.12Å; L152-V155 HydrophobicContact CB-CB 3.93Å; L152-V155 HydrophobicContact CB-CG2 3.67Å; L152-V155 HydrophobicContact CD1-CG2 3.92Å; L152-V155 HydrophobicContact CG-CG2 4.46Å; L152-V155 WeakPolarHBondContact O-CA 3.18Å; L152-V155 PolarHBondContact O-N 3.37Å; L152-E156 PolarHBondContact O-N 2.81Å
153A74.7Confident73.9Confident76 Ų7676.8 Ų76.863%0.62840%0.404SS*.Hα-helixtrans-51-41.4-172.600000113.1E157A153-E157 VanDerWaalsContact O-CB 3.31Å; A153-E157 WeakPolarHBondContact O-CB 3.22Å; A153-E157 PolarHBondContact O-N 3.36Å
154L76.6Confident73.8Confident5 Ų577.6 Ų77.63%0.02641%0.409CS..Hα-helixtrans-67.6-39.1176.7-174.170.5000112.6I115 L120 I126 V129 R130 L152 E157 I158I115-L154 HydrophobicContact CG2-CD2 3.82Å; L120-L154 HydrophobicContact CD2-CB 3.55Å; L120-L154 HydrophobicContact CD2-CD2 3.55Å; L120-L154 HydrophobicContact CD2-CG 4.18Å; I126-L154 HydrophobicContact CG1-CD2 4.43Å; I126-L154 HydrophobicContact CG2-CD1 4.2Å; V129-L154 HydrophobicContact CB-CD2 4.45Å; V129-L154 HydrophobicContact CG1-CD1 4.45Å; V129-L154 HydrophobicContact CG1-CD2 4.26Å; R130-L154 HydrophobicContact CG-CD1 4.14Å; L152-L154 PolarHBondContact O-N 3.27Å; L152-L154 VanDerWaalsContact O-N 3.12Å; L154-E157 PolarHBondContact O-N 3.41Å; L154-I158 HydrophobicContact CD1-CD1 4.37Å; L154-I158 HydrophobicContact CD2-CD1 4.37Å; L154-I158 HydrophobicContact CG-CD1 3.89Å; L154-I158 HydrophobicContact CG-CG1 4.46Å; L154-I158 WeakPolarHBondContact O-CB 3.45Å; L154-I158 VanDerWaalsContact O-CG1 3.22Å; L154-I158 WeakPolarHBondContact O-CG1 3.31Å; L154-I158 PolarHBondContact O-N 3.48Å
155V79.1Confident73.8Confident16 Ų1682.2 Ų82.210%0.09743%0.429CS..Hα-helixtrans-67.7-40.8179.9178.70000110.5I115 I144 L152 R159I115-V155 HydrophobicContact CG2-CG2 4.39Å; I144-V155 HydrophobicContact CB-CG1 4.04Å; I144-V155 HydrophobicContact CD1-CG1 4.23Å; I144-V155 HydrophobicContact CG2-CG1 4.19Å; I144-V155 HydrophobicContact CG2-CG2 4.48Å; L152-V155 HydrophobicContact CB-CB 3.93Å; L152-V155 HydrophobicContact CB-CG2 3.67Å; L152-V155 HydrophobicContact CD1-CG2 3.92Å; L152-V155 HydrophobicContact CG-CG2 4.46Å; L152-V155 WeakPolarHBondContact O-CA 3.18Å; L152-V155 PolarHBondContact O-N 3.37Å; V155-R159 VanDerWaalsContact O-CB 3.24Å; V155-R159 WeakPolarHBondContact O-CB 3.2Å; V155-R159 PolarHBondContact O-N 3.48Å
156E80.8Confident74.2Confident101 Ų10182.6 Ų82.647%0.47243%0.43SS..Hα-helixtrans-66-40.8174-70.2-161130.200112P151 L152 R159 N160P151-E156 HydrophobicContact CB-CG 4.01Å; P151-E156 VanDerWaalsContact CB-OE2 3.29Å; P151-E156 WeakPolarHBondContact CB-OE2 3.43Å; L152-E156 PolarHBondContact O-N 2.81Å; E156-R159 PolarHBondContact O-N 2.7Å; E156-N160 VanDerWaalsContact O-CB 3.3Å; E156-N160 WeakPolarHBondContact O-CB 3.32Å; E156-N160 VanDerWaalsContact O-CG 3.31Å; E156-N160 PolarHBondContact O-N 3.06Å; E156-N160 PolarHBondContact O-ND2 3.3Å
157E82.3Confident74.8Confident63 Ų6381.5 Ų81.529%0.29442%0.422SS..Hα-helixtrans-59.1-49.7174.8-176.6177.592.200111.3R130 A153 L154 R159 N160 R161R130-E157 WeakPolarHBondContact CG-OE1 3.14Å; R130-E157 IonicContact CZ-OE1 2.7Å; R130-E157 IonicContact CZ-OE2 3.02Å; R130-E157 IonicContact NE-OE1 2.66Å; R130-E157 PolarHBondContact NE-OE1 3.33Å; R130-E157 IonicContact NE-OE2 3.93Å; R130-E157 PolarHBondContact NE-OE2 3.31Å; R130-E157 IonicContact NH2-OE1 3.07Å; R130-E157 IonicContact NH2-OE2 3.95Å; R130-E157 PolarHBondContact NH2-OE2 3.14Å; A153-E157 VanDerWaalsContact O-CB 3.31Å; A153-E157 WeakPolarHBondContact O-CB 3.22Å; A153-E157 PolarHBondContact O-N 3.36Å; L154-E157 PolarHBondContact O-N 3.41Å; E157-R159 VanDerWaalsContact C-N 3.31Å; E157-R159 PolarHBondContact O-N 3.25Å; E157-N160 PolarHBondContact O-N 2.87Å; E157-R161 WeakPolarHBondContact O-CG 3.47Å; E157-R161 PolarHBondContact O-N 2.89Å
158I81.6Confident76Confident0 Ų081.4 Ų81.40%042%0.416CS..Hα-helixtrans-59.6-44.1176.4-69.4167.5000110.4F6 I115 V129 L133 L154 N160 R161 V164F6-I158 HydrophobicContact CD1-CG2 4.25Å; F6-I158 HydrophobicContact CD2-CG2 3.62Å; F6-I158 HydrophobicContact CE1-CD1 4.27Å; F6-I158 HydrophobicContact CE1-CG2 4.03Å; F6-I158 HydrophobicContact CE2-CG2 3.33Å; F6-I158 HydrophobicContact CG-CG2 4.04Å; F6-I158 HydrophobicContact CZ-CD1 4.1Å; F6-I158 HydrophobicContact CZ-CG2 3.54Å; I115-I158 HydrophobicContact CD1-CD1 3.97Å; V129-I158 HydrophobicContact CG1-CD1 4.32Å; L133-I158 HydrophobicContact CD1-CD1 4.37Å; L133-I158 HydrophobicContact CD1-CG1 3.8Å; L154-I158 HydrophobicContact CD1-CD1 4.37Å; L154-I158 HydrophobicContact CD2-CD1 4.37Å; L154-I158 HydrophobicContact CG-CD1 3.89Å; L154-I158 HydrophobicContact CG-CG1 4.46Å; L154-I158 WeakPolarHBondContact O-CB 3.45Å; L154-I158 VanDerWaalsContact O-CG1 3.22Å; L154-I158 WeakPolarHBondContact O-CG1 3.31Å; L154-I158 PolarHBondContact O-N 3.48Å; I158-N160 PolarHBondContact O-N 2.85Å; I158-R161 PolarHBondContact O-N 3.26Å; I158-V164 HydrophobicContact CG2-CG1 4.04Å; I158-V164 HydrophobicContact CG2-CG2 4.17Å; I158-V164 WeakPolarHBondContact O-CB 3.36Å; I158-V164 VanDerWaalsContact O-CG2 3.25Å; I158-V164 WeakPolarHBondContact O-CG2 3.5Å
159R78.9Confident77.6Confident148 Ų14872.7 Ų72.756%0.55838%0.378SS*.Hα-helixtrans-68.5-33.7-178.3-172178.4-178.4-164.2-0113.2V155 E156 E157 R161V155-R159 VanDerWaalsContact O-CB 3.24Å; V155-R159 WeakPolarHBondContact O-CB 3.2Å; V155-R159 PolarHBondContact O-N 3.48Å; E156-R159 PolarHBondContact O-N 2.7Å; E157-R159 VanDerWaalsContact C-N 3.31Å; E157-R159 PolarHBondContact O-N 3.25Å; R159-R161 VanDerWaalsContact C-N 3.31Å
160N80.7Confident78.8Confident130 Ų13071.6 Ų71.670%0.69536%0.357SS*.Hα-helixtrans-79.8-11.7179.9-76.4-28.9000113.2E156 E157 I158 K162E156-N160 VanDerWaalsContact O-CB 3.3Å; E156-N160 WeakPolarHBondContact O-CB 3.32Å; E156-N160 VanDerWaalsContact O-CG 3.31Å; E156-N160 PolarHBondContact O-N 3.06Å; E156-N160 PolarHBondContact O-ND2 3.3Å; E157-N160 PolarHBondContact O-N 2.87Å; I158-N160 PolarHBondContact O-N 2.85Å; N160-K162 PolarHBondContact O-N 2.86Å
161R80.2Confident79.9Confident69 Ų6971.2 Ų71.226%0.2636%0.356SS..  trans-72.5129.1176.4-76.7178.682.2149.3-1.8110.9L133 E157 I158 R159 D163 V164L133-R161 PolarHBondContact O-NH2 2.62Å; E157-R161 WeakPolarHBondContact O-CG 3.47Å; E157-R161 PolarHBondContact O-N 2.89Å; I158-R161 PolarHBondContact O-N 3.26Å; R159-R161 VanDerWaalsContact C-N 3.31Å; R161-D163 PolarHBondContact O-N 3.32Å; R161-V164 HydrophobicContact CB-CB 4.48Å; R161-V164 HydrophobicContact CB-CG2 3.82Å; R161-V164 PolarHBondContact O-N 2.66Å
162K73.4Confident80.9Confident201 Ų20174.8 Ų74.887%0.87437%0.365SS*.THydrogen-bonded Turntrans-65.7-17176.6-61.2-177.2-177.9-179.30113.2N160 V164N160-K162 PolarHBondContact O-N 2.86Å; K162-V164 VanDerWaalsContact C-N 3.28Å
163D82.3Confident81.3Confident64 Ų6477 Ų7734%0.34238%0.377SS..THydrogen-bonded Turntrans-88.45.9179.4-48.9-48.3000112.8A2 R3 H4 R161A2-D163 CarbonylContact C-O 3.53Å; A2-D163 WeakPolarHBondContact CA-O 3.23Å; R3-D163 PolarHBondContact N-O 2.86Å; H4-D163 PolarHBondContact N-O 2.77Å; R161-D163 PolarHBondContact O-N 3.32Å
164V85.1Confident81.3Confident18 Ų1877.5 Ų77.511%0.10936%0.363CS..EExtended strand (participates in β ladder)trans-113.6130.3-176.7175.80000111.1H4 F6 I158 R161 K162 V166H4-V164 HydrophobicContact CB-CG2 4.14Å; H4-V164 CarbonylContact O-C 3.45Å; H4-V164 WeakPolarHBondContact O-CA 3.41Å; F6-V164 HydrophobicContact CD2-CG1 3.42Å; F6-V164 VanDerWaalsContact CD2-CG1 3.42Å; F6-V164 HydrophobicContact CE2-CG1 4Å; F6-V164 HydrophobicContact CE2-CG2 4.32Å; F6-V164 HydrophobicContact CG-CG1 4.36Å; I158-V164 HydrophobicContact CG2-CG1 4.04Å; I158-V164 HydrophobicContact CG2-CG2 4.17Å; I158-V164 WeakPolarHBondContact O-CB 3.36Å; I158-V164 VanDerWaalsContact O-CG2 3.25Å; I158-V164 WeakPolarHBondContact O-CG2 3.5Å; R161-V164 HydrophobicContact CB-CB 4.48Å; R161-V164 HydrophobicContact CB-CG2 3.82Å; R161-V164 PolarHBondContact O-N 2.66Å; K162-V164 VanDerWaalsContact C-N 3.28Å; V164-V166 HydrophobicContact CG1-CG2 4.01Å
165K87.1Confident81.1Confident101 Ų10182.2 Ų82.244%0.43939%0.388SS..EExtended strand (participates in β ladder)trans-103.5120.6170.4-167.971.2170.9-1780109.4A2 H4 V5 F6 F167A2-K165 HydrophobicContact CB-CB 3.86Å; H4-K165 PolarHBondContact O-N 3.34Å; V5-K165 CarbonylContact C-O 3.5Å; V5-K165 WeakPolarHBondContact CA-O 3.48Å; F6-K165 PolarHBondContact N-O 2.97Å; K165-F167 HydrophobicContact CB-CE2 4.3Å; K165-F167 HydrophobicContact CG-CD2 4.18Å; K165-F167 HydrophobicContact CG-CE2 3.58Å; K165-F167 HydrophobicContact CG-CZ 3.89Å
166V86.6Confident81.1Confident51 Ų5188.2 Ų88.231%0.30941%0.414SS..EExtended strand (participates in β ladder)trans-103.4120.9176.3-173.60000110F6 T8 I144 V164F6-V166 HydrophobicContact CB-CG2 4.45Å; F6-V166 CarbonylContact O-C 3.51Å; F6-V166 VanDerWaalsContact O-CA 3.24Å; F6-V166 WeakPolarHBondContact O-CA 3.36Å; T8-V166 HydrophobicContact CG2-CG1 3.67Å; I144-V166 HydrophobicContact CD1-CG1 4.09Å; I144-V166 HydrophobicContact CD1-CG2 4.29Å; V164-V166 HydrophobicContact CG1-CG2 4.01Å
167F86.9Confident81.1Confident18 Ų1884.5 Ų84.58%0.07940%0.398CS..EExtended strand (participates in β ladder)trans-100.8127.2174.7-71.2-85.5000110.6V5 F6 L7 T8 K165 L177 D180 I181 C184V5-F167 HydrophobicContact CG1-CD2 3.57Å; V5-F167 HydrophobicContact CG1-CE2 3.6Å; F6-F167 PolarHBondContact O-N 2.74Å; L7-F167 CarbonylContact C-O 3.47Å; L7-F167 WeakPolarHBondContact CA-O 3.44Å; T8-F167 PolarHBondContact N-O 3.49Å; K165-F167 HydrophobicContact CB-CE2 4.3Å; K165-F167 HydrophobicContact CG-CD2 4.18Å; K165-F167 HydrophobicContact CG-CE2 3.58Å; K165-F167 HydrophobicContact CG-CZ 3.89Å; F167-L177 HydrophobicContact CD1-CD2 3.83Å; F167-D180 HydrophobicContact CE1-CB 4.29Å; F167-I181 HydrophobicContact CD2-CG1 4.11Å; F167-I181 HydrophobicContact CE2-CG1 4.26Å; F167-I181 HydrophobicContact CG-CG1 4.41Å; F167-C184 HydrophobicContact CE2-CB 4.46Å; F167-C184 HydrophobicContact CZ-CB 4.4Å
168N87.2Confident81.1Confident96 Ų9683.2 Ų83.251%0.51339%0.393SS..EExtended strand (participates in β ladder)trans-89.3114.1175.3-169.444.5000110.5T8T8-N168 HydrophobicContact CG2-CB 4.13Å; T8-N168 CarbonylContact O-C 3.55Å; T8-N168 WeakPolarHBondContact O-CA 3.2Å; T8-N168 PolarHBondContact O-OD1 3.46Å
169V84.9Confident81.1Confident0 Ų086.5 Ų86.50%041%0.414CS..  trans-93.1120.7-176.7-174.70000110.2L7 T8 V13 K15 L18 R174 L177L7-V169 HydrophobicContact CB-CG2 3.87Å; L7-V169 HydrophobicContact CD2-CG2 3.44Å; L7-V169 VanDerWaalsContact CD2-CG2 3.44Å; L7-V169 HydrophobicContact CG-CG2 4.18Å; T8-V169 PolarHBondContact O-N 3.35Å; V13-V169 HydrophobicContact CG1-CB 4.34Å; V13-V169 HydrophobicContact CG1-CG1 4.02Å; V13-V169 HydrophobicContact CG2-CG1 4.17Å; K15-V169 HydrophobicContact CG-CB 4.41Å; L18-V169 HydrophobicContact CD1-CG1 3.58Å; L18-V169 HydrophobicContact CD1-CG2 4.16Å; V169-R174 HydrophobicContact CG1-CB 4.1Å; V169-L177 HydrophobicContact CB-CD1 4.32Å; V169-L177 HydrophobicContact CG2-CD1 3.98Å
170T83.1Confident81.3Confident46 Ų4683.7 Ų83.728%0.28241%0.41SS..  trans-112.4165.1168.563.40000109.7V13 E172 N173 R174V13-T170 VanDerWaalsContact CG2-C 3.47Å; T170-E172 PolarHBondContact O-N 2.69Å; T170-N173 PolarHBondContact O-N 3.36Å; T170-N173 WeakPolarHBondContact OG1-CB 3.21Å; T170-N173 PolarHBondContact OG1-N 3.28Å; T170-R174 PolarHBondContact O-N 3.23Å
171K77.7Confident81.5Confident168 Ų16877.5 Ų77.573%0.7338%0.377SS*.THydrogen-bonded Turntrans-58.9-35.4178.5-73-173.1178.5179.60111.9V13V13-K171 HydrophobicContact CG2-CG 3.93Å
172E79Confident81.6Confident164 Ų16474.7 Ų74.777%0.76637%0.368SS*.THydrogen-bonded Turntrans-75-43.2-179.8-66168.397.600111.7T170 R174T170-E172 PolarHBondContact O-N 2.69Å; E172-R174 PolarHBondContact O-N 3.34Å
173N79.6Confident82.1Confident82 Ų8268.8 Ų68.844%0.43935%0.348SS..THydrogen-bonded Turntrans-84.5-7.8-175.5-71.6-1.4000113.9T170 N175 H176 L177T170-N173 PolarHBondContact O-N 3.36Å; T170-N173 WeakPolarHBondContact OG1-CB 3.21Å; T170-N173 PolarHBondContact OG1-N 3.28Å; N173-N175 VanDerWaalsContact C-N 3.25Å; N173-N175 PolarHBondContact O-N 3.47Å; N173-N175 VanDerWaalsContact O-N 3.14Å; N173-H176 PolarHBondContact O-N 3.2Å; N173-H176 VanDerWaalsContact O-N 3.1Å; N173-L177 HydrophobicContact CB-CD1 4.02Å; N173-L177 HydrophobicContact CB-CG 4.18Å; N173-L177 VanDerWaalsContact O-CG 3.29Å; N173-L177 WeakPolarHBondContact O-CG 3.4Å; N173-L177 PolarHBondContact O-N 2.8Å
174R73.7Confident82Confident87 Ų8767.3 Ų67.333%0.32834%0.343SS..Hα-helixtrans-54.9-41.1-171.6106.6178.1-174.7175.7-0.3112.9L18 V169 T170 E172L18-R174 HydrophobicContact CD1-CB 3.81Å; L18-R174 WeakPolarHBondContact CD1-O 3.43Å; L18-R174 WeakPolarHBondContact CD2-O 3.06Å; V169-R174 HydrophobicContact CG1-CB 4.1Å; T170-R174 PolarHBondContact O-N 3.23Å; E172-R174 PolarHBondContact O-N 3.34Å
175N72.9Confident81.7Confident103 Ų10366.4 Ų66.455%0.55134%0.337SS*.Hα-helixtrans-80.1-28-174.7-63.5-33.6000111.4N173N173-N175 VanDerWaalsContact C-N 3.25Å; N173-N175 PolarHBondContact O-N 3.47Å; N173-N175 VanDerWaalsContact O-N 3.14Å
176H79.1Confident81.1Confident142 Ų14265.3 Ų65.366%0.65733%0.334SS*.Hα-helixtrans-79.6-28.3177.8-70.1-79.5000112.9N173 L178 P179N173-H176 PolarHBondContact O-N 3.2Å; N173-H176 VanDerWaalsContact O-N 3.1Å; H176-L178 VanDerWaalsContact C-N 3.34Å; H176-L178 PolarHBondContact O-N 3.42Å; H176-P179 VanDerWaalsContact O-CD 3.27Å; H176-P179 WeakPolarHBondContact O-CD 3.21Å; H176-P179 VanDerWaalsContact O-CG 3.29Å; H176-P179 WeakPolarHBondContact O-CG 3.39Å
177L81.6Confident80.5Confident23 Ų2366 Ų6612%0.1234%0.341CS..Hα-helixtrans-74.2-23.4-179.5-72.3172000113.7F167 V169 N173 D180 I181F167-L177 HydrophobicContact CD1-CD2 3.83Å; V169-L177 HydrophobicContact CB-CD1 4.32Å; V169-L177 HydrophobicContact CG2-CD1 3.98Å; N173-L177 HydrophobicContact CB-CD1 4.02Å; N173-L177 HydrophobicContact CB-CG 4.18Å; N173-L177 VanDerWaalsContact O-CG 3.29Å; N173-L177 WeakPolarHBondContact O-CG 3.4Å; N173-L177 PolarHBondContact O-N 2.8Å; L177-D180 WeakPolarHBondContact O-CB 3.28Å; L177-D180 PolarHBondContact O-N 3.04Å; L177-I181 HydrophobicContact CB-CD1 4.22Å; L177-I181 WeakPolarHBondContact O-CD1 3.27Å; L177-I181 WeakPolarHBondContact O-CG1 3.41Å; L177-I181 PolarHBondContact O-N 3.43Å
178L81.3Confident79.5Confident36 Ų3665.9 Ų65.919%0.18834%0.342CS..Hα-helixtrans-56.4-54.2-178.7-172.5147.6000113.4L18 K21 H176 D180 I181 V182L18-L178 HydrophobicContact CD2-CB 3.79Å; L18-L178 HydrophobicContact CD2-CD1 4.23Å; L18-L178 HydrophobicContact CD2-CG 4.31Å; K21-L178 HydrophobicContact CB-CD1 3.43Å; K21-L178 VanDerWaalsContact CB-CD1 3.43Å; K21-L178 HydrophobicContact CD-CD1 3.84Å; K21-L178 HydrophobicContact CG-CD1 4.31Å; H176-L178 VanDerWaalsContact C-N 3.34Å; H176-L178 PolarHBondContact O-N 3.42Å; L178-D180 VanDerWaalsContact C-N 3.27Å; L178-D180 PolarHBondContact O-N 2.98Å; L178-I181 PolarHBondContact O-N 3.07Å; L178-V182 WeakPolarHBondContact O-CG2 3.16Å; L178-V182 PolarHBondContact O-N 3Å; L178-V182 VanDerWaalsContact O-N 3.1Å
179P81.9Confident78.2Confident70 Ų7065.4 Ų65.446%0.45533%0.333SS..Hα-helixtrans-63.1-34.7176.924.6-35.3000112.3H176 V182 T183H176-P179 VanDerWaalsContact O-CD 3.27Å; H176-P179 WeakPolarHBondContact O-CD 3.21Å; H176-P179 VanDerWaalsContact O-CG 3.29Å; H176-P179 WeakPolarHBondContact O-CG 3.39Å; P179-V182 PolarHBondContact O-N 2.88Å; P179-T183 VanDerWaalsContact O-CB 3.26Å; P179-T183 WeakPolarHBondContact O-CB 3.34Å; P179-T183 PolarHBondContact O-N 2.9Å; P179-T183 PolarHBondContact O-OG1 2.99Å
180D84.1Confident76.4Confident88 Ų8876.9 Ų76.947%0.47138%0.383SS..Hα-helixtrans-62.8-45.3177.5-121.8-98.2000111.6F167 L177 L178 T183 C184F167-D180 HydrophobicContact CE1-CB 4.29Å; L177-D180 WeakPolarHBondContact O-CB 3.28Å; L177-D180 PolarHBondContact O-N 3.04Å; L178-D180 VanDerWaalsContact C-N 3.27Å; L178-D180 PolarHBondContact O-N 2.98Å; D180-T183 PolarHBondContact O-N 3.06Å; D180-C184 WeakPolarHBondContact O-CB 3.04Å; D180-C184 PolarHBondContact O-N 3.43Å
181I84.1Confident76Confident1 Ų178.5 Ų78.51%0.00539%0.388CS..Hα-helixtrans-61.6-49.4176.8-69.1157.7000110.3V5 L7 L18 A22 L141 F167 L177 L178 T183 C184 V185V5-I181 HydrophobicContact CG1-CG1 4.44Å; V5-I181 HydrophobicContact CG1-CG2 4.14Å; L7-I181 HydrophobicContact CD1-CD1 4.4Å; L7-I181 HydrophobicContact CD2-CD1 3.47Å; L7-I181 VanDerWaalsContact CD2-CD1 3.47Å; L7-I181 HydrophobicContact CG-CD1 4.08Å; L18-I181 HydrophobicContact CD2-CD1 4.07Å; A22-I181 HydrophobicContact CB-CG2 4.36Å; L141-I181 HydrophobicContact CD1-CG2 3.6Å; L141-I181 HydrophobicContact CD2-CG2 4.4Å; F167-I181 HydrophobicContact CD2-CG1 4.11Å; F167-I181 HydrophobicContact CE2-CG1 4.26Å; F167-I181 HydrophobicContact CG-CG1 4.41Å; L177-I181 HydrophobicContact CB-CD1 4.22Å; L177-I181 WeakPolarHBondContact O-CD1 3.27Å; L177-I181 WeakPolarHBondContact O-CG1 3.41Å; L177-I181 PolarHBondContact O-N 3.43Å; L178-I181 PolarHBondContact O-N 3.07Å; I181-T183 VanDerWaalsContact C-N 3.32Å; I181-T183 PolarHBondContact O-N 2.74Å; I181-C184 PolarHBondContact O-N 3.46Å; I181-V185 VanDerWaalsContact O-CG2 3.31Å; I181-V185 WeakPolarHBondContact O-CG2 3.24Å; I181-V185 PolarHBondContact O-N 3.2Å
182V82.4Confident75.9Confident10 Ų1073.7 Ų73.76%0.06137%0.37CS..Hα-helixtrans-61.6-43.4179.4174.20000110.4A22 V25 L26 L178 P179 C184 V185 Q186A22-V182 HydrophobicContact CB-CG2 4.31Å; V25-V182 HydrophobicContact CB-CG2 4.27Å; V25-V182 HydrophobicContact CG1-CG1 3.9Å; V25-V182 HydrophobicContact CG1-CG2 4.05Å; L26-V182 HydrophobicContact CD2-CG1 4.4Å; L178-V182 WeakPolarHBondContact O-CG2 3.16Å; L178-V182 PolarHBondContact O-N 3Å; L178-V182 VanDerWaalsContact O-N 3.1Å; P179-V182 PolarHBondContact O-N 2.88Å; V182-C184 PolarHBondContact O-N 3.45Å; V182-V185 PolarHBondContact O-N 3.31Å; V182-Q186 HydrophobicContact CG1-CG 4.32Å; V182-Q186 WeakPolarHBondContact O-CB 3.3Å; V182-Q186 VanDerWaalsContact O-CG 3.28Å; V182-Q186 WeakPolarHBondContact O-CG 3.19Å; V182-Q186 PolarHBondContact O-N 2.83Å
183T83.3Confident75.8Confident76 Ų7668.7 Ų68.747%0.46635%0.348SS..Hα-helixtrans-63.8-40.8177.5-56.90000111.6P179 D180 I181 Q186 S187P179-T183 VanDerWaalsContact O-CB 3.26Å; P179-T183 WeakPolarHBondContact O-CB 3.34Å; P179-T183 PolarHBondContact O-N 2.9Å; P179-T183 PolarHBondContact O-OG1 2.99Å; D180-T183 PolarHBondContact O-N 3.06Å; I181-T183 VanDerWaalsContact C-N 3.32Å; I181-T183 PolarHBondContact O-N 2.74Å; T183-Q186 PolarHBondContact O-N 2.88Å; T183-S187 WeakPolarHBondContact O-CB 3.5Å; T183-S187 PolarHBondContact O-N 3.22Å; T183-S187 PolarHBondContact O-OG 2.84Å
184C81.2Confident75.6Confident33 Ų3367.9 Ų67.922%0.22334%0.343CS..Hα-helixtrans-61.3-50.6174-1080000110.9V5 F167 D180 I181 V182 Q186 S187 S188V5-C184 HydrophobicContact CG2-CB 4.09Å; F167-C184 HydrophobicContact CE2-CB 4.46Å; F167-C184 HydrophobicContact CZ-CB 4.4Å; D180-C184 WeakPolarHBondContact O-CB 3.04Å; D180-C184 PolarHBondContact O-N 3.43Å; I181-C184 PolarHBondContact O-N 3.46Å; V182-C184 PolarHBondContact O-N 3.45Å; C184-Q186 VanDerWaalsContact C-N 3.3Å; C184-Q186 PolarHBondContact O-N 2.96Å; C184-S187 PolarHBondContact O-N 3Å; C184-S188 PolarHBondContact O-N 3.12Å; C184-S188 PolarHBondContact O-OG 3.19Å
185V78.1Confident75.7Confident0 Ų066.8 Ų66.80%034%0.344CS..Hα-helixtrans-59.4-41.8178.6171.80000110.9V5 L26 V109 I139 I181 V182 R189V5-V185 HydrophobicContact CB-CG2 4.44Å; V5-V185 HydrophobicContact CG2-CG2 3.92Å; L26-V185 HydrophobicContact CD1-CG1 4.05Å; L26-V185 HydrophobicContact CD2-CB 4.27Å; L26-V185 HydrophobicContact CD2-CG1 3.66Å; V109-V185 HydrophobicContact CG2-CG1 3.57Å; I139-V185 HydrophobicContact CD1-CG1 4.1Å; I139-V185 WeakPolarHBondContact CD1-O 3.5Å; I139-V185 HydrophobicContact CG2-CG1 4.09Å; I139-V185 HydrophobicContact CG2-CG2 4.15Å; I181-V185 VanDerWaalsContact O-CG2 3.31Å; I181-V185 WeakPolarHBondContact O-CG2 3.24Å; I181-V185 PolarHBondContact O-N 3.2Å; V182-V185 PolarHBondContact O-N 3.31Å; V185-R189 WeakPolarHBondContact O-CG 3.29Å
186Q74.3Confident75.9Confident77 Ų7764.3 Ų64.336%0.3633%0.33SS..Hα-helixtrans-70.9-34.7177.1-72.2177.5-6.800113V182 T183 C184 R189V182-Q186 HydrophobicContact CG1-CG 4.32Å; V182-Q186 WeakPolarHBondContact O-CB 3.3Å; V182-Q186 VanDerWaalsContact O-CG 3.28Å; V182-Q186 WeakPolarHBondContact O-CG 3.19Å; V182-Q186 PolarHBondContact O-N 2.83Å; T183-Q186 PolarHBondContact O-N 2.88Å; C184-Q186 VanDerWaalsContact C-N 3.3Å; C184-Q186 PolarHBondContact O-N 2.96Å; Q186-R189 VanDerWaalsContact O-CB 3.3Å; Q186-R189 WeakPolarHBondContact O-CB 3.46Å; Q186-R189 PolarHBondContact O-N 3.26Å; Q186-R189 VanDerWaalsContact O-N 3.09Å
187S73.4Confident75.6Confident66 Ų6658.8 Ų58.846%0.46231%0.307SS..Hα-helixtrans-72-33.5177.8-61.40000111.9T183 C184 R189 K190T183-S187 WeakPolarHBondContact O-CB 3.5Å; T183-S187 PolarHBondContact O-N 3.22Å; T183-S187 PolarHBondContact O-OG 2.84Å; C184-S187 PolarHBondContact O-N 3Å; S187-R189 PolarHBondContact O-N 2.72Å; S187-R189 VanDerWaalsContact O-N 3.1Å; S187-K190 PolarHBondContact O-N 3.29Å
188S66.3Low75.2Confident15 Ų1561.5 Ų61.511%0.10532%0.321CS..THydrogen-bonded Turntrans-64-9169.5-55.10000112.8A2 Q107 C184A2-S188 PolarHBondContact O-OG 3.23Å; Q107-S188 PolarHBondContact NE2-O 3.27Å; C184-S188 PolarHBondContact O-N 3.12Å; C184-S188 PolarHBondContact O-OG 3.19Å
189R60.2Low74.7Confident87 Ų8763.7 Ų63.733%0.32833%0.332SS..THydrogen-bonded Turntrans-92-19.7175.7-61.1179.772.9-152.37.4116.4V31 Q107 I139 V185 Q186 S187V31-R189 VanDerWaalsContact CG2-NH1 3.33Å; Q107-R189 HydrophobicContact CB-CG 4.05Å; Q107-R189 VanDerWaalsContact OE1-CG 3.26Å; Q107-R189 PolarHBondContact OE1-O 2.89Å; Q107-R189 VanDerWaalsContact OE1-O 3.04Å; I139-R189 HydrophobicContact CD1-CG 3.75Å; V185-R189 WeakPolarHBondContact O-CG 3.29Å; Q186-R189 VanDerWaalsContact O-CB 3.3Å; Q186-R189 WeakPolarHBondContact O-CB 3.46Å; Q186-R189 PolarHBondContact O-N 3.26Å; Q186-R189 VanDerWaalsContact O-N 3.09Å; S187-R189 PolarHBondContact O-N 2.72Å; S187-R189 VanDerWaalsContact O-N 3.1Å
190K46.8Very low74Confident241 Ų24163.1 Ų63.1100%1.04832%0.321SS*.  trans-83.50174.6-79.9-175.3174.1-177.50110.6S187S187-K190 PolarHBondContact O-N 3.29Å

Retrieved 190 of 190 residues in 214 ms (Link to these results)

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