A0A077ZFA9_TRITR Loading...

PTS-HPr and ATP bind 2 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZFA9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 276 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M84.6Confident89.3Confident63 Ų6315.5 Ų15.531%0.3110%0.096SC..  0162.10-69162.9-86.400109.6A45 E48 A77 F78 S79M1-A45 HydrophobicContact CE-CB 4.35Å; M1-E48 WeakPolarHBondContact SD-CA 2.86Å; M1-E48 HydrophobicContact SD-CB 4.41Å; M1-A77 HydrophobicContact CE-CB 3.54Å; M1-A77 PolarHBondContact N-O 2.89Å; M1-F78 HydrophobicContact CB-CD1 3.83Å; M1-F78 HydrophobicContact CB-CE1 3.69Å; M1-F78 HydrophobicContact CB-CG 4.36Å; M1-F78 HydrophobicContact CB-CZ 4.08Å; M1-F78 HydrophobicContact CE-CD2 4.35Å; M1-F78 HydrophobicContact CE-CE2 4Å; M1-F78 HydrophobicContact CE-CZ 4.39Å; M1-F78 HydrophobicContact SD-CE1 4.22Å; M1-F78 HydrophobicContact SD-CE2 3.87Å; M1-F78 HydrophobicContact SD-CZ 3.65Å; M1-S79 PolarHBondContact O-N 3.33Å
2V87.1Confident89.3Confident40 Ų4014.2 Ų14.224%0.2429%0.088CC..EExtended strand (participates in β ladder)trans-109.5133.9178.8-179.80000109.6M4 F26 S50 A51 Q81V2-M4 HydrophobicContact CG1-CE 4.1Å; V2-F26 HydrophobicContact CB-CE1 4.01Å; V2-F26 HydrophobicContact CB-CZ 4.47Å; V2-F26 HydrophobicContact CG1-CE1 4.1Å; V2-S50 PolarHBondContact N-OG 3.03Å; V2-S50 VanDerWaalsContact N-OG 3.17Å; V2-S50 CarbonylContact O-C 3.47Å; V2-S50 WeakPolarHBondContact O-CA 3.19Å; V2-S50 WeakPolarHBondContact O-CB 2.92Å; V2-A51 PolarHBondContact O-N 3.24Å; V2-Q81 HydrophobicContact CG1-CG 4.41Å
3L91.1Very high89.4Confident1 Ų114.3 Ų14.31%0.0059%0.094CC..EExtended strand (participates in β ladder)trans-107.199.4165.9176.964.1000107.9I5 L37 A51 V53 L74 F78 S79 P80 Q81L3-I5 HydrophobicContact CG-CG1 4.39Å; L3-I5 PolarHBondContact O-N 3.24Å; L3-L37 HydrophobicContact CD2-CD2 4.5Å; L3-A51 CarbonylContact C-O 3.58Å; L3-A51 WeakPolarHBondContact CA-O 3.3Å; L3-A51 HydrophobicContact CD1-CB 3.78Å; L3-V53 HydrophobicContact CD1-CG2 3.93Å; L3-L74 HydrophobicContact CD2-CD1 3.8Å; L3-L74 HydrophobicContact CD2-CD2 3.57Å; L3-L74 HydrophobicContact CD2-CG 4.37Å; L3-F78 HydrophobicContact CB-CB 4.4Å; L3-F78 HydrophobicContact CB-CD1 3.77Å; L3-F78 HydrophobicContact CB-CG 4.44Å; L3-S79 PolarHBondContact N-O 2.87Å; L3-P80 WeakPolarHBondContact O-CA 3.24Å; L3-Q81 PolarHBondContact O-N 2.64Å
4M91.1Very high89.5Confident3 Ų314.8 Ų14.82%0.0159%0.094CC..EExtended strand (participates in β ladder)trans-83.7111.7178.3-171.36158.100109.7V2 V6 L21 F26 A51 A52 V53 Q81 L83 L152V2-M4 HydrophobicContact CG1-CE 4.1Å; M4-V6 HydrophobicContact CG-CG2 3.99Å; M4-L21 HydrophobicContact CB-CD1 4.43Å; M4-L21 HydrophobicContact CB-CD2 4.5Å; M4-L21 HydrophobicContact CG-CD1 3.81Å; M4-L21 HydrophobicContact CG-CD2 4.18Å; M4-F26 HydrophobicContact CB-CD1 4.49Å; M4-F26 HydrophobicContact CB-CE1 4.31Å; M4-A51 PolarHBondContact N-O 3.39Å; M4-A52 HydrophobicContact CB-CB 4.15Å; M4-A52 CarbonylContact O-C 3.59Å; M4-A52 VanDerWaalsContact O-CA 3.24Å; M4-A52 WeakPolarHBondContact O-CA 3.46Å; M4-V53 PolarHBondContact O-N 3.25Å; M4-Q81 CarbonylContact C-O 3.4Å; M4-Q81 HydrophobicContact CE-CB 3.95Å; M4-Q81 VanDerWaalsContact CE-OE1 3.26Å; M4-Q81 HydrophobicContact SD-CB 4.07Å; M4-L83 HydrophobicContact SD-CB 3.85Å; M4-L152 HydrophobicContact CE-CD1 4.01Å; M4-L152 HydrophobicContact CE-CD2 3.44Å; M4-L152 VanDerWaalsContact CE-CD2 3.44Å; M4-L152 HydrophobicContact CE-CG 4.34Å; M4-L152 HydrophobicContact SD-CD2 4.44Å
5I91.2Very high89.5Confident1 Ų117.8 Ų17.81%0.00512%0.116CC..EExtended strand (participates in β ladder)trans-91.9115173.1-58.4176.5000107.7L3 L37 V53 I55 F67 M71 Q81 L82 L83L3-I5 HydrophobicContact CG-CG1 4.39Å; L3-I5 PolarHBondContact O-N 3.24Å; I5-L37 HydrophobicContact CD1-CD1 4.33Å; I5-V53 CarbonylContact C-O 3.48Å; I5-V53 WeakPolarHBondContact CA-O 3.3Å; I5-I55 HydrophobicContact CG2-CD1 3.27Å; I5-I55 HydrophobicContact CG2-CG1 3.86Å; I5-F67 HydrophobicContact CD1-CE2 4.26Å; I5-F67 HydrophobicContact CD1-CZ 4.12Å; I5-M71 HydrophobicContact CD1-CE 3.53Å; I5-M71 HydrophobicContact CD1-SD 3.42Å; I5-M71 WeakPolarHBondContact CD1-SD 3.37Å; I5-Q81 PolarHBondContact N-O 3.28Å; I5-L82 HydrophobicContact CB-CD1 3.81Å; I5-L82 HydrophobicContact CG2-CD1 3.5Å; I5-L82 VanDerWaalsContact CG2-CD1 3.5Å; I5-L83 PolarHBondContact O-N 3.29Å
6V92.2Very high89.6Confident0 Ų018.6 Ų18.60%012%0.12CC..EExtended strand (participates in β ladder)trans-101.9102.2179.2-173.80000109.2M4 K14 A17 L18 L21 V53 S54 I55 L83 L85M4-V6 HydrophobicContact CG-CG2 3.99Å; V6-K14 HydrophobicContact CG1-CB 4.47Å; V6-K14 HydrophobicContact CG1-CG 4.47Å; V6-A17 HydrophobicContact CG1-CB 4.07Å; V6-L18 HydrophobicContact CG2-CD2 4.49Å; V6-L21 HydrophobicContact CG2-CD1 3.6Å; V6-V53 PolarHBondContact N-O 3.19Å; V6-S54 VanDerWaalsContact O-CA 3.22Å; V6-S54 WeakPolarHBondContact O-CA 3.45Å; V6-S54 PolarHBondContact O-OG 3.29Å; V6-S54 VanDerWaalsContact O-OG 3.05Å; V6-I55 PolarHBondContact O-N 3.42Å; V6-I55 VanDerWaalsContact O-N 3.08Å; V6-L83 HydrophobicContact CG1-CD2 4.37Å; V6-L83 HydrophobicContact CG2-CD2 4.29Å; V6-L85 HydrophobicContact CG1-CD1 4.19Å
7S90.5Very high89.8Confident0 Ų017.5 Ų17.50%011%0.113CC..EExtended strand (participates in β ladder)trans-113.1174.7171.6-168.50000110.3L83 F84 L85 L126S7-L83 PolarHBondContact N-O 2.9Å; S7-F84 WeakPolarHBondContact O-CA 3.44Å; S7-L85 PolarHBondContact O-N 3.27Å; S7-L126 WeakPolarHBondContact OG-CD1 3.21Å
8G90.4Very high89.9Confident1 Ų117.2 Ų17.21%0.0111%0.11CC..EExtended strand (participates in β ladder)trans147.2172-179.200000112.8K14 L85 L123G8-K14 PolarHBondContact O-NZ 3.33Å; G8-L85 CarbonylContact C-O 3.53Å; G8-L85 WeakPolarHBondContact CA-O 3.36Å; G8-L123 WeakPolarHBondContact O-CD1 3.35Å
9R89.3Confident90Very high22 Ų2225.6 Ų25.68%0.08314%0.139CC..  trans-63151.4179.1-61.7179.290.5174.413.6111G11 S12 K14 L85 D86 A87 L92 I116 E119 L123R9-G11 PolarHBondContact O-N 2.65Å; R9-S12 WeakPolarHBondContact O-CB 3.23Å; R9-S12 PolarHBondContact O-N 3.14Å; R9-S12 PolarHBondContact O-OG 3.09Å; R9-K14 VanDerWaalsContact C-NZ 3.3Å; R9-K14 PolarHBondContact O-NZ 3.26Å; R9-L85 PolarHBondContact N-O 2.81Å; R9-D86 WeakPolarHBondContact CD-OD1 3.46Å; R9-D86 IonicContact NH1-OD1 3.54Å; R9-A87 PolarHBondContact NH1-O 2.81Å; R9-L92 HydrophobicContact CB-CD1 3.95Å; R9-I116 VanDerWaalsContact NH2-CG2 3.26Å; R9-I116 PolarHBondContact NH2-O 3.35Å; R9-E119 WeakPolarHBondContact CA-OE2 3.44Å; R9-L123 HydrophobicContact CG-CD1 4.18Å
10S87.5Confident90.1Very high5 Ų524.5 Ų24.54%0.03513%0.133CC..THydrogen-bonded Turntrans-71.3128.1179-60.80000109.2L92 Y96 E119S10-L92 WeakPolarHBondContact O-CD2 3.41Å; S10-Y96 WeakPolarHBondContact CB-OH 3.31Å; S10-Y96 VanDerWaalsContact O-CE2 3.22Å; S10-Y96 WeakPolarHBondContact O-CE2 3.47Å; S10-E119 VanDerWaalsContact CB-OE1 3.26Å; S10-E119 WeakPolarHBondContact CB-OE1 3.42Å; S10-E119 PolarHBondContact N-OE1 2.6Å; S10-E119 PolarHBondContact N-OE2 2.95Å; S10-E119 PolarHBondContact OG-OE1 3.18Å
11G87.3Confident90.1Very high34 Ų3423.3 Ų23.335%0.35113%0.127SC..THydrogen-bonded Turntrans88.1-0.8-170.500000115.9R9 G13 R95R9-G11 PolarHBondContact O-N 2.65Å; G11-G13 PolarHBondContact O-N 3.48Å; G11-R95 WeakPolarHBondContact O-CD 3.46Å; G11-R95 PolarHBondContact O-NH1 3.09Å
12S89.7Confident90.4Very high0 Ų026 Ų260%014%0.139CC..SBendtrans-76.91.417567.60000114.6R9 L85 T136R9-S12 WeakPolarHBondContact O-CB 3.23Å; R9-S12 PolarHBondContact O-N 3.14Å; R9-S12 PolarHBondContact O-OG 3.09Å; S12-L85 WeakPolarHBondContact CB-O 3.48Å; S12-L85 WeakPolarHBondContact OG-CB 3.46Å; S12-L85 PolarHBondContact OG-O 2.84Å; S12-T136 VanDerWaalsContact O-CG2 3.25Å; S12-T136 WeakPolarHBondContact O-CG2 3.25Å; S12-T136 PolarHBondContact O-OG1 2.54Å
13G90.5Very high90.5Very high16 Ų1629.6 Ų29.617%0.16516%0.157CC..SBendtrans101.216.9176.900000115.6G11 S15 V16 A17G11-G13 PolarHBondContact O-N 3.48Å; G13-S15 VanDerWaalsContact C-N 3.29Å; G13-S15 PolarHBondContact O-N 3.29Å; G13-V16 WeakPolarHBondContact O-CA 3.32Å; G13-V16 WeakPolarHBondContact O-CB 3.31Å; G13-V16 PolarHBondContact O-N 2.88Å; G13-A17 PolarHBondContact O-N 3.47Å
14K90.2Very high90.3Very high21 Ų2131 Ų319%0.09116%0.164CC..Hα-helixtrans-48.3-45.4175.9-62.7-168.4-70.9-91.10113.9V6 G8 R9 V16 A17 L18 L85V6-K14 HydrophobicContact CG1-CB 4.47Å; V6-K14 HydrophobicContact CG1-CG 4.47Å; G8-K14 PolarHBondContact O-NZ 3.33Å; R9-K14 VanDerWaalsContact C-NZ 3.3Å; R9-K14 PolarHBondContact O-NZ 3.26Å; K14-V16 VanDerWaalsContact C-N 3.29Å; K14-V16 PolarHBondContact O-N 3.43Å; K14-A17 PolarHBondContact O-N 3.28Å; K14-L18 PolarHBondContact O-N 3.03Å; K14-L85 HydrophobicContact CG-CD1 4.3Å
15S90.1Very high90.1Very high60 Ų6033.5 Ų33.542%0.4219%0.19SC..Hα-helixtrans-66.4-30.5178.2-49.50000113.2G13 R19G13-S15 VanDerWaalsContact C-N 3.29Å; G13-S15 PolarHBondContact O-N 3.29Å; S15-R19 WeakPolarHBondContact O-CG 3.39Å; S15-R19 PolarHBondContact O-N 3.32Å
16V91.2Very high90.1Very high30 Ų3034.7 Ų34.718%0.18220%0.195CC..Hα-helixtrans-71.9-43.5175.4175.60000109.7G13 K14 R19 A20 V141 L144G13-V16 WeakPolarHBondContact O-CA 3.32Å; G13-V16 WeakPolarHBondContact O-CB 3.31Å; G13-V16 PolarHBondContact O-N 2.88Å; K14-V16 VanDerWaalsContact C-N 3.29Å; K14-V16 PolarHBondContact O-N 3.43Å; V16-R19 PolarHBondContact O-N 3.2Å; V16-A20 WeakPolarHBondContact O-CB 3.25Å; V16-A20 PolarHBondContact O-N 3.12Å; V16-V141 HydrophobicContact CB-CG1 4.33Å; V16-V141 HydrophobicContact CG1-CB 4.44Å; V16-V141 HydrophobicContact CG1-CG1 3.62Å; V16-V141 WeakPolarHBondContact CG1-O 3Å; V16-V141 HydrophobicContact CG2-CB 4.43Å; V16-V141 HydrophobicContact CG2-CG1 3.74Å; V16-V141 HydrophobicContact CG2-CG2 4.15Å; V16-L144 HydrophobicContact CB-CD2 4.11Å; V16-L144 HydrophobicContact CG1-CB 4.48Å; V16-L144 HydrophobicContact CG1-CD2 4.05Å; V16-L144 HydrophobicContact CG1-CG 4.36Å
17A92.5Very high90.1Very high0 Ų040.2 Ų40.20%022%0.217CC..Hα-helixtrans-62.3-43.7176.200000112.5V6 G13 K14 A20 L21 L85 L148V6-A17 HydrophobicContact CG1-CB 4.07Å; G13-A17 PolarHBondContact O-N 3.47Å; K14-A17 PolarHBondContact O-N 3.28Å; A17-A20 PolarHBondContact O-N 3.01Å; A17-L21 WeakPolarHBondContact O-CB 3.39Å; A17-L21 WeakPolarHBondContact O-CD1 3.44Å; A17-L21 VanDerWaalsContact O-CG 3.28Å; A17-L21 WeakPolarHBondContact O-CG 3.33Å; A17-L21 PolarHBondContact O-N 3.46Å; A17-L85 HydrophobicContact CB-CD1 3.68Å; A17-L148 HydrophobicContact CB-CD1 3.42Å; A17-L148 VanDerWaalsContact CB-CD1 3.42Å
18L92.4Very high90.2Very high13 Ų1341.8 Ų41.87%0.06823%0.227CC..Hα-helixtrans-59.3-46.7174.3-82.4-177.1000112V6 K14 A20 L21 E22 C28 D30 A52V6-L18 HydrophobicContact CG2-CD2 4.49Å; K14-L18 PolarHBondContact O-N 3.03Å; L18-A20 VanDerWaalsContact C-N 3.33Å; L18-A20 PolarHBondContact O-N 2.99Å; L18-L21 WeakPolarHBondContact O-CB 3.48Å; L18-L21 PolarHBondContact O-N 3.43Å; L18-E22 WeakPolarHBondContact O-CB 3.44Å; L18-E22 PolarHBondContact O-N 3.07Å; L18-C28 HydrophobicContact CD2-CB 4.31Å; L18-C28 PolarHBondContact O-SG 3.12Å; L18-D30 HydrophobicContact CD1-CB 3.95Å; L18-A52 HydrophobicContact CD2-CB 4.17Å
19R91.8Very high90.3Very high177 Ų17743 Ų4367%0.66824%0.235SC*.Hα-helixtrans-61.2-42.8176.5-73.6175.9-179.9-169.8-2.2112.2S15 V16 L21 E22 D23S15-R19 WeakPolarHBondContact O-CG 3.39Å; S15-R19 PolarHBondContact O-N 3.32Å; V16-R19 PolarHBondContact O-N 3.2Å; R19-L21 VanDerWaalsContact C-N 3.28Å; R19-L21 PolarHBondContact O-N 2.96Å; R19-E22 WeakPolarHBondContact O-CB 3.36Å; R19-E22 PolarHBondContact O-N 3.28Å; R19-D23 VanDerWaalsContact O-CG 3.25Å; R19-D23 PolarHBondContact O-N 3.28Å
20A90.4Very high90.3Very high2 Ų247 Ų472%0.01726%0.258CS..Hα-helixtrans-61.6-38.8176.400000111.6V16 A17 L18 M24 A145V16-A20 WeakPolarHBondContact O-CB 3.25Å; V16-A20 PolarHBondContact O-N 3.12Å; A17-A20 PolarHBondContact O-N 3.01Å; L18-A20 VanDerWaalsContact C-N 3.33Å; L18-A20 PolarHBondContact O-N 2.99Å; A20-M24 HydrophobicContact CB-CE 4.24Å; A20-M24 WeakPolarHBondContact O-CE 3.37Å; A20-M24 WeakPolarHBondContact O-CG 3.39Å; A20-M24 PolarHBondContact O-N 3.14Å; A20-A145 HydrophobicContact CB-CB 4.02Å
21L91.5Very high90.2Very high0 Ų049.8 Ų49.80%027%0.272CS..Hα-helixtrans-67.9-39.6174.8-72.7161.3000112.5M4 V6 A17 L18 R19 M24 G25 F26 A52 L152M4-L21 HydrophobicContact CB-CD1 4.43Å; M4-L21 HydrophobicContact CB-CD2 4.5Å; M4-L21 HydrophobicContact CG-CD1 3.81Å; M4-L21 HydrophobicContact CG-CD2 4.18Å; V6-L21 HydrophobicContact CG2-CD1 3.6Å; A17-L21 WeakPolarHBondContact O-CB 3.39Å; A17-L21 WeakPolarHBondContact O-CD1 3.44Å; A17-L21 VanDerWaalsContact O-CG 3.28Å; A17-L21 WeakPolarHBondContact O-CG 3.33Å; A17-L21 PolarHBondContact O-N 3.46Å; L18-L21 WeakPolarHBondContact O-CB 3.48Å; L18-L21 PolarHBondContact O-N 3.43Å; R19-L21 VanDerWaalsContact C-N 3.28Å; R19-L21 PolarHBondContact O-N 2.96Å; L21-M24 HydrophobicContact CD2-CE 3.9Å; L21-M24 HydrophobicContact CG-CE 4.16Å; L21-M24 CarbonylContact O-C 3.56Å; L21-M24 WeakPolarHBondContact O-CA 3.46Å; L21-M24 WeakPolarHBondContact O-CB 3.35Å; L21-M24 PolarHBondContact O-N 3.19Å; L21-G25 PolarHBondContact O-N 3.28Å; L21-F26 HydrophobicContact CB-CB 4.13Å; L21-F26 HydrophobicContact CB-CD2 4.43Å; L21-F26 HydrophobicContact CB-CG 4.34Å; L21-F26 HydrophobicContact CD2-CD1 4.36Å; L21-F26 HydrophobicContact CD2-CD2 3.94Å; L21-F26 HydrophobicContact CD2-CE1 4.43Å; L21-F26 HydrophobicContact CD2-CE2 4.03Å; L21-F26 HydrophobicContact CD2-CG 4.12Å; L21-F26 HydrophobicContact CD2-CZ 4.28Å; L21-F26 WeakPolarHBondContact O-CB 3.41Å; L21-F26 WeakPolarHBondContact O-CD2 3.35Å; L21-F26 PolarHBondContact O-N 3.06Å; L21-A52 HydrophobicContact CB-CB 3.86Å; L21-A52 HydrophobicContact CD1-CB 3.68Å; L21-A52 HydrophobicContact CG-CB 4.24Å; L21-L152 HydrophobicContact CD2-CD1 3.59Å
22E91.4Very high90.2Very high121 Ų12149.3 Ų49.357%0.56526%0.262SS*.Hα-helixtrans-60.2-46.2174.5-168.3173.6-168.700111L18 R19 M24 G25 C28L18-E22 WeakPolarHBondContact O-CB 3.44Å; L18-E22 PolarHBondContact O-N 3.07Å; R19-E22 WeakPolarHBondContact O-CB 3.36Å; R19-E22 PolarHBondContact O-N 3.28Å; E22-M24 PolarHBondContact O-N 2.87Å; E22-G25 PolarHBondContact O-N 3.04Å; E22-C28 VanDerWaalsContact CA-SG 3.59Å; E22-C28 HydrophobicContact CB-CB 4.31Å; E22-C28 PolarHBondContact N-SG 3.11Å
23D88.5Confident90Very high115 Ų11551.6 Ų51.662%0.61528%0.276SS*.Hα-helixtrans-60.6-27.6174.2-64.4-21.1000112.5R19 G25 R149R19-D23 VanDerWaalsContact O-CG 3.25Å; R19-D23 PolarHBondContact O-N 3.28Å; D23-G25 PolarHBondContact O-N 3.01Å; D23-R149 IonicContact OD2-NH2 2.67Å; D23-R149 PolarHBondContact OD2-NH2 3.23Å
24M86.1Confident89.8Confident30 Ų3051 Ų5115%0.14827%0.269CS..THydrogen-bonded Turntrans-83.63.4176.1-67.9-174.7-9200113.2A20 L21 E22 F26 L148 R149 L152 L153A20-M24 HydrophobicContact CB-CE 4.24Å; A20-M24 WeakPolarHBondContact O-CE 3.37Å; A20-M24 WeakPolarHBondContact O-CG 3.39Å; A20-M24 PolarHBondContact O-N 3.14Å; L21-M24 HydrophobicContact CD2-CE 3.9Å; L21-M24 HydrophobicContact CG-CE 4.16Å; L21-M24 CarbonylContact O-C 3.56Å; L21-M24 WeakPolarHBondContact O-CA 3.46Å; L21-M24 WeakPolarHBondContact O-CB 3.35Å; L21-M24 PolarHBondContact O-N 3.19Å; E22-M24 PolarHBondContact O-N 2.87Å; M24-F26 HydrophobicContact CB-CD2 3.97Å; M24-F26 HydrophobicContact CB-CE2 4.18Å; M24-L148 HydrophobicContact CE-CB 4.45Å; M24-R149 HydrophobicContact CE-CG 3.99Å; M24-R149 HydrophobicContact CG-CG 4.06Å; M24-R149 HydrophobicContact SD-CB 4.21Å; M24-R149 HydrophobicContact SD-CG 3.74Å; M24-L152 HydrophobicContact CE-CD1 4.33Å; M24-L153 HydrophobicContact CB-CD1 4.27Å; M24-L153 HydrophobicContact CG-CD1 3.59Å; M24-L153 HydrophobicContact CG-CG 4.12Å; M24-L153 HydrophobicContact SD-CD1 3.54Å; M24-L153 VanDerWaalsContact SD-CD1 3.54Å; M24-L153 HydrophobicContact SD-CD2 4.38Å; M24-L153 HydrophobicContact SD-CG 3.55Å; M24-L153 VanDerWaalsContact SD-CG 3.55Å
25G86.5Confident89.6Confident55 Ų5554.3 Ų54.357%0.56729%0.291SS*.THydrogen-bonded Turntrans87.812.2178.100000114.7L21 E22 D23L21-G25 PolarHBondContact O-N 3.28Å; E22-G25 PolarHBondContact O-N 3.04Å; D23-G25 PolarHBondContact O-N 3.01Å
26F91.2Very high89.6Confident26 Ų2655.1 Ų55.111%0.11429%0.291CS..  trans-78.6137173.7-71.9-109.7000111V2 M4 L21 M24 C28 S50 A52V2-F26 HydrophobicContact CB-CE1 4.01Å; V2-F26 HydrophobicContact CB-CZ 4.47Å; V2-F26 HydrophobicContact CG1-CE1 4.1Å; M4-F26 HydrophobicContact CB-CD1 4.49Å; M4-F26 HydrophobicContact CB-CE1 4.31Å; L21-F26 HydrophobicContact CB-CB 4.13Å; L21-F26 HydrophobicContact CB-CD2 4.43Å; L21-F26 HydrophobicContact CB-CG 4.34Å; L21-F26 HydrophobicContact CD2-CD1 4.36Å; L21-F26 HydrophobicContact CD2-CD2 3.94Å; L21-F26 HydrophobicContact CD2-CE1 4.43Å; L21-F26 HydrophobicContact CD2-CE2 4.03Å; L21-F26 HydrophobicContact CD2-CG 4.12Å; L21-F26 HydrophobicContact CD2-CZ 4.28Å; L21-F26 WeakPolarHBondContact O-CB 3.41Å; L21-F26 WeakPolarHBondContact O-CD2 3.35Å; L21-F26 PolarHBondContact O-N 3.06Å; M24-F26 HydrophobicContact CB-CD2 3.97Å; M24-F26 HydrophobicContact CB-CE2 4.18Å; F26-C28 PolarHBondContact O-N 2.79Å; F26-C28 VanDerWaalsContact O-N 3.13Å; F26-C28 PolarHBondContact O-SG 3.42Å; F26-S50 CarbonylContact C-O 3.58Å; F26-S50 WeakPolarHBondContact CA-O 3.41Å; F26-A52 HydrophobicContact CB-CB 3.94Å; F26-A52 HydrophobicContact CD1-CB 4.26Å; F26-A52 HydrophobicContact CG-CB 4.41Å
27Y92.8Very high89.5Confident117 Ų11753.8 Ų53.846%0.45928%0.282SS..EExtended strand (participates in β ladder)trans-69.8107.9168.1-173.3-94.6000110.1V29 L40 L44 S50 A51 A52Y27-V29 HydrophobicContact CD1-CG2 3.82Å; Y27-V29 HydrophobicContact CE1-CG2 3.46Å; Y27-V29 VanDerWaalsContact CE1-CG2 3.46Å; Y27-L40 HydrophobicContact CD1-CD1 4.47Å; Y27-L40 HydrophobicContact CE1-CD1 4.08Å; Y27-L44 HydrophobicContact CD1-CD1 3.65Å; Y27-L44 HydrophobicContact CD1-CD2 4.19Å; Y27-L44 HydrophobicContact CD2-CD2 4.5Å; Y27-L44 HydrophobicContact CE1-CD1 4.41Å; Y27-L44 HydrophobicContact CG-CD1 4.06Å; Y27-L44 HydrophobicContact CG-CD2 4.11Å; Y27-S50 PolarHBondContact N-O 3.41Å; Y27-A51 CarbonylContact O-C 3.55Å; Y27-A51 VanDerWaalsContact O-CA 3.32Å; Y27-A51 WeakPolarHBondContact O-CA 3.34Å; Y27-A52 PolarHBondContact O-N 2.75Å
28C93.8Very high89.5Confident32 Ų3254.2 Ų54.222%0.21629%0.285CS..EExtended strand (participates in β ladder)trans-94.7131.9-172.4-69.50000112.3L18 E22 F26 A52L18-C28 HydrophobicContact CD2-CB 4.31Å; L18-C28 PolarHBondContact O-SG 3.12Å; E22-C28 VanDerWaalsContact CA-SG 3.59Å; E22-C28 HydrophobicContact CB-CB 4.31Å; E22-C28 PolarHBondContact N-SG 3.11Å; F26-C28 PolarHBondContact O-N 2.79Å; F26-C28 VanDerWaalsContact O-N 3.13Å; F26-C28 PolarHBondContact O-SG 3.42Å; C28-A52 CarbonylContact C-O 3.56Å; C28-A52 VanDerWaalsContact CA-O 3.25Å; C28-A52 WeakPolarHBondContact CA-O 3.3Å
29V92Very high89.4Confident28 Ų2857.3 Ų57.317%0.1730%0.302CS..EExtended strand (participates in β ladder)trans-128.1123.7172.5-172.50000109.4Y27 L32 L40 A52 V53 S54Y27-V29 HydrophobicContact CD1-CG2 3.82Å; Y27-V29 HydrophobicContact CE1-CG2 3.46Å; Y27-V29 VanDerWaalsContact CE1-CG2 3.46Å; V29-L32 HydrophobicContact CG1-CB 3.93Å; V29-L32 HydrophobicContact CG1-CD1 4.12Å; V29-L32 HydrophobicContact CG1-CG 4.42Å; V29-L40 HydrophobicContact CB-CD2 4.47Å; V29-L40 HydrophobicContact CG2-CD1 4.36Å; V29-L40 HydrophobicContact CG2-CD2 3.8Å; V29-A52 PolarHBondContact N-O 3.15Å; V29-V53 HydrophobicContact CB-CG2 4.42Å; V29-V53 WeakPolarHBondContact O-CA 3.33Å; V29-S54 PolarHBondContact O-N 3.44Å
30D89.7Confident89.3Confident106 Ų10650.3 Ų50.357%0.56728%0.277SS*.SBendtrans-91142.3176.3-165.112.9000111.1L18 L32L18-D30 HydrophobicContact CD1-CB 3.95Å; D30-L32 VanDerWaalsContact C-N 3.34Å; D30-L32 PolarHBondContact O-N 3.43Å
31N84.5Confident89.4Confident62 Ų6250.2 Ų50.233%0.33228%0.276SS..SBendtrans50.742.2174.4-168.542.4000115.3S54 D56 N59N31-S54 WeakPolarHBondContact CA-O 3.45Å; N31-S54 PolarHBondContact N-O 3.44Å; N31-D56 VanDerWaalsContact OD1-CB 3.3Å; N31-D56 WeakPolarHBondContact OD1-CB 3.22Å; N31-N59 VanDerWaalsContact CG-ND2 3.34Å; N31-N59 PolarHBondContact ND2-ND2 3.46Å; N31-N59 PolarHBondContact O-ND2 2.79Å; N31-N59 PolarHBondContact OD1-ND2 3.09Å
32L86.8Confident89.3Confident25 Ų2555.7 Ų55.713%0.13130%0.297CS..  trans-77.9132.5178.3-17170.6000111V29 D30 V34 L36 L37 L40 V53 S54V29-L32 HydrophobicContact CG1-CB 3.93Å; V29-L32 HydrophobicContact CG1-CD1 4.12Å; V29-L32 HydrophobicContact CG1-CG 4.42Å; D30-L32 VanDerWaalsContact C-N 3.34Å; D30-L32 PolarHBondContact O-N 3.43Å; L32-V34 PolarHBondContact O-N 3.43Å; L32-L36 HydrophobicContact CD1-CB 4.07Å; L32-L36 HydrophobicContact CD1-CD1 4.2Å; L32-L36 HydrophobicContact CD2-CB 4.46Å; L32-L36 HydrophobicContact CG-CB 4.25Å; L32-L37 HydrophobicContact CD2-CD2 3.96Å; L32-L37 HydrophobicContact CD2-CG 4.4Å; L32-L40 HydrophobicContact CD2-CB 4.35Å; L32-L40 HydrophobicContact CD2-CD2 3.74Å; L32-V53 HydrophobicContact CB-CG1 3.44Å; L32-V53 VanDerWaalsContact CB-CG1 3.44Å; L32-V53 HydrophobicContact CD2-CG1 3.76Å; L32-V53 HydrophobicContact CD2-CG2 4.34Å; L32-V53 HydrophobicContact CG-CG1 4.24Å; L32-S54 PolarHBondContact N-O 3.49Å
33P86.1Confident89.2Confident47 Ų4754 Ų5431%0.30530%0.295SS..  trans-58.9132.9167.9-2535.3000111.9V35 L36P33-V35 HydrophobicContact CB-CG2 4.03Å; P33-V35 PolarHBondContact O-N 2.97Å; P33-V35 VanDerWaalsContact O-N 3.09Å; P33-L36 HydrophobicContact CB-CD1 4.47Å; P33-L36 HydrophobicContact CB-CG 4.47Å; P33-L36 HydrophobicContact CG-CD1 4.31Å; P33-L36 PolarHBondContact O-N 2.85Å
34V85.6Confident89.2Confident4 Ų448.9 Ų48.92%0.02427%0.268CS..G310 helixtrans-54.4-35-176.8-179.30000112.8L32 L36 L37 I55 P61 F67 A70L32-V34 PolarHBondContact O-N 3.43Å; V34-L36 PolarHBondContact O-N 3.43Å; V34-L37 HydrophobicContact CB-CD1 4.38Å; V34-L37 HydrophobicContact CG1-CD1 3.95Å; V34-L37 WeakPolarHBondContact O-CB 3.37Å; V34-L37 WeakPolarHBondContact O-CG 3.42Å; V34-L37 PolarHBondContact O-N 3.27Å; V34-L37 VanDerWaalsContact O-N 3.14Å; V34-I55 HydrophobicContact CG2-CD1 3.81Å; V34-I55 HydrophobicContact CG2-CG1 4.27Å; V34-I55 HydrophobicContact CG2-CG2 3.98Å; V34-P61 HydrophobicContact CG2-CG 4.34Å; V34-F67 HydrophobicContact CG1-CB 4.46Å; V34-F67 HydrophobicContact CG1-CD2 3.75Å; V34-A70 HydrophobicContact CG1-CB 3.75Å; V34-A70 WeakPolarHBondContact O-CB 3.18Å
35V86.6Confident89.3Confident90 Ų9048.5 Ų48.555%0.54527%0.269SS..G310 helixtrans-61.9-21.5178.7-60.10000114.2P33 I66P33-V35 HydrophobicContact CB-CG2 4.03Å; P33-V35 PolarHBondContact O-N 2.97Å; P33-V35 VanDerWaalsContact O-N 3.09Å; V35-I66 HydrophobicContact CG1-CG2 3.89Å
36L89.7Confident89.2Confident78 Ų7852.9 Ų52.941%0.40828%0.28SS..G310 helixtrans-95.5-4.1-179.9-60.9-179.7000113.2L32 P33 V34 D39 L40L32-L36 HydrophobicContact CD1-CB 4.07Å; L32-L36 HydrophobicContact CD1-CD1 4.2Å; L32-L36 HydrophobicContact CD2-CB 4.46Å; L32-L36 HydrophobicContact CG-CB 4.25Å; P33-L36 HydrophobicContact CB-CD1 4.47Å; P33-L36 HydrophobicContact CB-CG 4.47Å; P33-L36 HydrophobicContact CG-CD1 4.31Å; P33-L36 PolarHBondContact O-N 2.85Å; V34-L36 PolarHBondContact O-N 3.43Å; L36-D39 PolarHBondContact O-N 3.36Å; L36-L40 PolarHBondContact O-N 2.93Å
37L90.1Very high88.9Confident1 Ų160.2 Ų60.21%0.00531%0.307CS..Hα-helixtrans-56.1-44.6177.5-73.1167.5000112.7L3 I5 L32 V34 D39 L40 A41 V53 I55 M71L3-L37 HydrophobicContact CD2-CD2 4.5Å; I5-L37 HydrophobicContact CD1-CD1 4.33Å; L32-L37 HydrophobicContact CD2-CD2 3.96Å; L32-L37 HydrophobicContact CD2-CG 4.4Å; V34-L37 HydrophobicContact CB-CD1 4.38Å; V34-L37 HydrophobicContact CG1-CD1 3.95Å; V34-L37 WeakPolarHBondContact O-CB 3.37Å; V34-L37 WeakPolarHBondContact O-CG 3.42Å; V34-L37 PolarHBondContact O-N 3.27Å; V34-L37 VanDerWaalsContact O-N 3.14Å; L37-D39 PolarHBondContact O-N 2.9Å; L37-L40 PolarHBondContact O-N 3.39Å; L37-A41 WeakPolarHBondContact O-CB 3.41Å; L37-A41 PolarHBondContact O-N 2.83Å; L37-V53 HydrophobicContact CD2-CB 3.83Å; L37-V53 HydrophobicContact CD2-CG1 3.71Å; L37-V53 HydrophobicContact CD2-CG2 3.8Å; L37-I55 HydrophobicContact CD1-CD1 4.3Å; L37-M71 HydrophobicContact CB-CE 4.42Å; L37-M71 HydrophobicContact CD1-CE 3.5Å
38P91.2Very high88.5Confident9 Ų962.4 Ų62.46%0.05832%0.321CS..Hα-helixtrans-62.9-38.9178.6-24.637000113.4A41 R42 A70 N73P38-A41 PolarHBondContact O-N 3.49Å; P38-R42 WeakPolarHBondContact O-CG 3.28Å; P38-R42 PolarHBondContact O-N 3.28Å; P38-A70 HydrophobicContact CG-CB 4.44Å; P38-N73 HydrophobicContact CB-CB 4.24Å; P38-N73 HydrophobicContact CG-CB 4.01Å
39D91.6Very high88.2Confident78 Ų7863.7 Ų63.742%0.41733%0.326SS..Hα-helixtrans-68.1-41.8178.9-69.2-51000111.9L36 L37 R42 T43L36-D39 PolarHBondContact O-N 3.36Å; L37-D39 PolarHBondContact O-N 2.9Å; D39-R42 PolarHBondContact O-N 3.44Å; D39-R42 IonicContact OD1-CZ 3.81Å; D39-R42 IonicContact OD1-NE 3.8Å; D39-R42 IonicContact OD1-NH2 2.65Å; D39-R42 PolarHBondContact OD1-NH2 3.39Å; D39-T43 PolarHBondContact O-N 3.04Å; D39-T43 VanDerWaalsContact O-N 3.11Å; D39-T43 PolarHBondContact O-OG1 3.17Å
40L90.1Very high88.1Confident30 Ų3063.9 Ų63.916%0.15733%0.328CS..Hα-helixtrans-62-48.4174.3-179.268.1000110.9Y27 V29 L32 L36 L37 R42 T43 L44 V53Y27-L40 HydrophobicContact CD1-CD1 4.47Å; Y27-L40 HydrophobicContact CE1-CD1 4.08Å; V29-L40 HydrophobicContact CB-CD2 4.47Å; V29-L40 HydrophobicContact CG2-CD1 4.36Å; V29-L40 HydrophobicContact CG2-CD2 3.8Å; L32-L40 HydrophobicContact CD2-CB 4.35Å; L32-L40 HydrophobicContact CD2-CD2 3.74Å; L36-L40 PolarHBondContact O-N 2.93Å; L37-L40 PolarHBondContact O-N 3.39Å; L40-R42 VanDerWaalsContact C-N 3.35Å; L40-R42 PolarHBondContact O-N 3.08Å; L40-T43 PolarHBondContact O-N 3.14Å; L40-T43 VanDerWaalsContact O-N 3.15Å; L40-L44 HydrophobicContact CD1-CD1 3.94Å; L40-L44 HydrophobicContact CD1-CG 4.32Å; L40-L44 HydrophobicContact CG-CD1 3.92Å; L40-L44 WeakPolarHBondContact O-CG 3.42Å; L40-L44 PolarHBondContact O-N 3.44Å; L40-V53 HydrophobicContact CD2-CG2 3.6Å
41A91Very high88.2Confident0 Ų058.9 Ų58.90%030%0.301CS..Hα-helixtrans-60.7-42.618000000111.7L37 P38 T43 L44 A45 L74 P75 F78L37-A41 WeakPolarHBondContact O-CB 3.41Å; L37-A41 PolarHBondContact O-N 2.83Å; P38-A41 PolarHBondContact O-N 3.49Å; A41-T43 VanDerWaalsContact C-N 3.33Å; A41-T43 PolarHBondContact O-N 3.44Å; A41-L44 PolarHBondContact O-N 3.31Å; A41-A45 WeakPolarHBondContact O-CB 3.12Å; A41-A45 PolarHBondContact O-N 2.9Å; A41-L74 HydrophobicContact CB-CD2 3.71Å; A41-P75 HydrophobicContact CB-CG 4.14Å; A41-F78 HydrophobicContact CB-CD2 4.03Å; A41-F78 HydrophobicContact CB-CE2 4.3Å; A41-F78 HydrophobicContact CB-CG 4.42Å; A41-F78 WeakPolarHBondContact O-CE2 3.26Å
42R90Very high88.7Confident115 Ų11555.9 Ų55.943%0.43429%0.285SS..Hα-helixtrans-58.4-43.7173.8-79.4-173.9-73.3-88.97.2112.4P38 D39 L40 L44 A45 P75P38-R42 WeakPolarHBondContact O-CG 3.28Å; P38-R42 PolarHBondContact O-N 3.28Å; D39-R42 PolarHBondContact O-N 3.44Å; D39-R42 IonicContact OD1-CZ 3.81Å; D39-R42 IonicContact OD1-NE 3.8Å; D39-R42 IonicContact OD1-NH2 2.65Å; D39-R42 PolarHBondContact OD1-NH2 3.39Å; L40-R42 VanDerWaalsContact C-N 3.35Å; L40-R42 PolarHBondContact O-N 3.08Å; R42-L44 VanDerWaalsContact C-N 3.31Å; R42-L44 PolarHBondContact O-N 2.94Å; R42-A45 PolarHBondContact O-N 3.03Å; R42-P75 HydrophobicContact CG-CG 3.74Å
43T88.8Confident88.9Confident86 Ų8654.7 Ų54.753%0.52828%0.279SS..Hα-helixtrans-66.6-33.8-179.1-54.10000112.5D39 L40 A41D39-T43 PolarHBondContact O-N 3.04Å; D39-T43 VanDerWaalsContact O-N 3.11Å; D39-T43 PolarHBondContact O-OG1 3.17Å; L40-T43 PolarHBondContact O-N 3.14Å; L40-T43 VanDerWaalsContact O-N 3.15Å; A41-T43 VanDerWaalsContact C-N 3.33Å; A41-T43 PolarHBondContact O-N 3.44Å
44L89.9Confident89.1Confident7 Ų752.5 Ų52.54%0.03727%0.265CS..Hα-helixtrans-87.5-21.3-179.1-65.3176.5000113.2Y27 L40 A41 R42 D46 R47 E48 I49 A51 F78Y27-L44 HydrophobicContact CD1-CD1 3.65Å; Y27-L44 HydrophobicContact CD1-CD2 4.19Å; Y27-L44 HydrophobicContact CD2-CD2 4.5Å; Y27-L44 HydrophobicContact CE1-CD1 4.41Å; Y27-L44 HydrophobicContact CG-CD1 4.06Å; Y27-L44 HydrophobicContact CG-CD2 4.11Å; L40-L44 HydrophobicContact CD1-CD1 3.94Å; L40-L44 HydrophobicContact CD1-CG 4.32Å; L40-L44 HydrophobicContact CG-CD1 3.92Å; L40-L44 WeakPolarHBondContact O-CG 3.42Å; L40-L44 PolarHBondContact O-N 3.44Å; A41-L44 PolarHBondContact O-N 3.31Å; R42-L44 VanDerWaalsContact C-N 3.31Å; R42-L44 PolarHBondContact O-N 2.94Å; L44-D46 VanDerWaalsContact C-N 3.28Å; L44-D46 PolarHBondContact O-N 3.08Å; L44-R47 PolarHBondContact O-N 3.05Å; L44-E48 PolarHBondContact O-N 3.12Å; L44-I49 PolarHBondContact O-N 2.85Å; L44-A51 HydrophobicContact CD1-CB 3.54Å; L44-F78 HydrophobicContact CB-CE2 4.43Å; L44-F78 HydrophobicContact CB-CZ 3.92Å
45A86.9Confident89.1Confident22 Ų2252.4 Ų52.418%0.18226%0.264CS..Hα-helixtrans-58.6-42.3178.400000111.6M1 A41 R42 R47 E48 F78M1-A45 HydrophobicContact CE-CB 4.35Å; A41-A45 WeakPolarHBondContact O-CB 3.12Å; A41-A45 PolarHBondContact O-N 2.9Å; R42-A45 PolarHBondContact O-N 3.03Å; A45-R47 PolarHBondContact O-N 3.28Å; A45-E48 PolarHBondContact O-N 3.19Å; A45-E48 VanDerWaalsContact O-N 3.16Å; A45-F78 HydrophobicContact CB-CD2 4.42Å; A45-F78 HydrophobicContact CB-CE2 3.9Å
46D84.4Confident88.8Confident148 Ų14849.2 Ų49.279%0.79124%0.244SC*.THydrogen-bonded Turntrans-63.8-20.6178.6-67.3-16.5000113.4L44L44-D46 VanDerWaalsContact C-N 3.28Å; L44-D46 PolarHBondContact O-N 3.08Å
47R84.9Confident88Confident179 Ų17946 Ų4668%0.67523%0.228SC*.THydrogen-bonded Turntrans-100.9-3.2-179.4-60-173.6-179.5-171.60.1113.3L44 A45 I49L44-R47 PolarHBondContact O-N 3.05Å; A45-R47 PolarHBondContact O-N 3.28Å; R47-I49 HydrophobicContact CB-CD1 3.71Å; R47-I49 HydrophobicContact CB-CG1 3.79Å; R47-I49 WeakPolarHBondContact O-CG1 3.22Å; R47-I49 PolarHBondContact O-N 2.97Å
48E84.5Confident87.1Confident164 Ų16453.6 Ų53.677%0.76626%0.256SS*.THydrogen-bonded Turntrans57.227.8-174.6-59.5-172.215500114.4M1 L44 A45M1-E48 WeakPolarHBondContact SD-CA 2.86Å; M1-E48 HydrophobicContact SD-CB 4.41Å; L44-E48 PolarHBondContact O-N 3.12Å; A45-E48 PolarHBondContact O-N 3.19Å; A45-E48 VanDerWaalsContact O-N 3.16Å
49I87.3Confident86.1Confident59 Ų5955.5 Ų55.530%0.30327%0.266SS..  trans-97.2125.1-176.1-58.5173.9000110.5L44 R47 F78L44-I49 PolarHBondContact O-N 2.85Å; R47-I49 HydrophobicContact CB-CD1 3.71Å; R47-I49 HydrophobicContact CB-CG1 3.79Å; R47-I49 WeakPolarHBondContact O-CG1 3.22Å; R47-I49 PolarHBondContact O-N 2.97Å; I49-F78 VanDerWaalsContact O-CZ 3.32Å; I49-F78 WeakPolarHBondContact O-CZ 3.39Å
50S91Very high85.1Confident32 Ų3253.8 Ų53.822%0.22426%0.256CS..  trans-67.5145.6169.6-65.10000111.1V2 F26 Y27V2-S50 PolarHBondContact N-OG 3.03Å; V2-S50 VanDerWaalsContact N-OG 3.17Å; V2-S50 CarbonylContact O-C 3.47Å; V2-S50 WeakPolarHBondContact O-CA 3.19Å; V2-S50 WeakPolarHBondContact O-CB 2.92Å; F26-S50 CarbonylContact C-O 3.58Å; F26-S50 WeakPolarHBondContact CA-O 3.41Å; Y27-S50 PolarHBondContact N-O 3.41Å
51A92.3Very high83.9Confident0 Ų053.4 Ų53.40%026%0.255CS..EExtended strand (participates in β ladder)trans-123.9147.3-173.100000111.5V2 L3 M4 Y27 L44 F78V2-A51 PolarHBondContact O-N 3.24Å; L3-A51 CarbonylContact C-O 3.58Å; L3-A51 WeakPolarHBondContact CA-O 3.3Å; L3-A51 HydrophobicContact CD1-CB 3.78Å; M4-A51 PolarHBondContact N-O 3.39Å; Y27-A51 CarbonylContact O-C 3.55Å; Y27-A51 VanDerWaalsContact O-CA 3.32Å; Y27-A51 WeakPolarHBondContact O-CA 3.34Å; L44-A51 HydrophobicContact CD1-CB 3.54Å; A51-F78 HydrophobicContact CB-CE1 4.41Å
52A93.4Very high82.8Confident0 Ų062.8 Ų62.80%030%0.299CS..EExtended strand (participates in β ladder)trans-125.4121.3173.300000109.6M4 L18 L21 F26 Y27 C28 V29M4-A52 HydrophobicContact CB-CB 4.15Å; M4-A52 CarbonylContact O-C 3.59Å; M4-A52 VanDerWaalsContact O-CA 3.24Å; M4-A52 WeakPolarHBondContact O-CA 3.46Å; L18-A52 HydrophobicContact CD2-CB 4.17Å; L21-A52 HydrophobicContact CB-CB 3.86Å; L21-A52 HydrophobicContact CD1-CB 3.68Å; L21-A52 HydrophobicContact CG-CB 4.24Å; F26-A52 HydrophobicContact CB-CB 3.94Å; F26-A52 HydrophobicContact CD1-CB 4.26Å; F26-A52 HydrophobicContact CG-CB 4.41Å; Y27-A52 PolarHBondContact O-N 2.75Å; C28-A52 CarbonylContact C-O 3.56Å; C28-A52 VanDerWaalsContact CA-O 3.25Å; C28-A52 WeakPolarHBondContact CA-O 3.3Å; V29-A52 PolarHBondContact N-O 3.15Å
53V92.5Very high81.8Confident0 Ų059.1 Ų59.10%029%0.291CS..EExtended strand (participates in β ladder)trans-122.6122.7-175.1-1770000109.4L3 M4 I5 V6 V29 L32 L37 L40L3-V53 HydrophobicContact CD1-CG2 3.93Å; M4-V53 PolarHBondContact O-N 3.25Å; I5-V53 CarbonylContact C-O 3.48Å; I5-V53 WeakPolarHBondContact CA-O 3.3Å; V6-V53 PolarHBondContact N-O 3.19Å; V29-V53 HydrophobicContact CB-CG2 4.42Å; V29-V53 WeakPolarHBondContact O-CA 3.33Å; L32-V53 HydrophobicContact CB-CG1 3.44Å; L32-V53 VanDerWaalsContact CB-CG1 3.44Å; L32-V53 HydrophobicContact CD2-CG1 3.76Å; L32-V53 HydrophobicContact CD2-CG2 4.34Å; L32-V53 HydrophobicContact CG-CG1 4.24Å; L37-V53 HydrophobicContact CD2-CB 3.83Å; L37-V53 HydrophobicContact CD2-CG1 3.71Å; L37-V53 HydrophobicContact CD2-CG2 3.8Å; L40-V53 HydrophobicContact CD2-CG2 3.6Å
54S90.3Very high81.1Confident1 Ų157.4 Ų57.41%0.00728%0.281CS..EExtended strand (participates in β ladder)trans-86.9129.2171.1-168.70000111.4V6 V29 N31 L32V6-S54 VanDerWaalsContact O-CA 3.22Å; V6-S54 WeakPolarHBondContact O-CA 3.45Å; V6-S54 PolarHBondContact O-OG 3.29Å; V6-S54 VanDerWaalsContact O-OG 3.05Å; V29-S54 PolarHBondContact O-N 3.44Å; N31-S54 WeakPolarHBondContact CA-O 3.45Å; N31-S54 PolarHBondContact N-O 3.44Å; L32-S54 PolarHBondContact N-O 3.49Å
55I84.1Confident80.5Confident1 Ų162.8 Ų62.81%0.00531%0.306CS..PPolyproline II helixtrans-102.9120.4171.8-59.1173.9000107.5I5 V6 V34 L37 F67I5-I55 HydrophobicContact CG2-CD1 3.27Å; I5-I55 HydrophobicContact CG2-CG1 3.86Å; V6-I55 PolarHBondContact O-N 3.42Å; V6-I55 VanDerWaalsContact O-N 3.08Å; V34-I55 HydrophobicContact CG2-CD1 3.81Å; V34-I55 HydrophobicContact CG2-CG1 4.27Å; V34-I55 HydrophobicContact CG2-CG2 3.98Å; L37-I55 HydrophobicContact CD1-CD1 4.3Å; I55-F67 HydrophobicContact CD1-CE2 3.95Å
56D81Confident80.2Confident23 Ų2364.2 Ų64.212%0.12331%0.31CS..PPolyproline II helixtrans-95.3155.1173.8-164.99.5000110.7N31 R58 N59 M60N31-D56 VanDerWaalsContact OD1-CB 3.3Å; N31-D56 WeakPolarHBondContact OD1-CB 3.22Å; D56-R58 PolarHBondContact O-N 3.1Å; D56-R58 IonicContact OD2-NE 3.57Å; D56-R58 PolarHBondContact OD2-NE 2.72Å; D56-N59 CarbonylContact O-C 3.5Å; D56-N59 PolarHBondContact O-N 2.94Å; D56-M60 PolarHBondContact O-N 3.08Å
57V72.9Confident80.1Confident12 Ų1257.6 Ų57.67%0.07328%0.275CS..G310 helixtrans-57.7-24.9177.968.80000112.6N59 M60 P104 E119 L122 L123V57-N59 VanDerWaalsContact C-N 3.27Å; V57-N59 PolarHBondContact O-N 2.57Å; V57-M60 VanDerWaalsContact O-CB 3.3Å; V57-M60 WeakPolarHBondContact O-CB 3.25Å; V57-M60 PolarHBondContact O-N 3.39Å; V57-P104 HydrophobicContact CG1-CB 3.87Å; V57-P104 HydrophobicContact CG1-CG 4.31Å; V57-E119 HydrophobicContact CB-CG 4.41Å; V57-E119 HydrophobicContact CG2-CG 4.25Å; V57-L122 HydrophobicContact CG2-CB 4.22Å; V57-L122 HydrophobicContact CG2-CD1 4.06Å; V57-L123 HydrophobicContact CB-CD2 4.43Å
58R71.4Confident80Confident159 Ų15953.2 Ų53.260%0.626%0.262SS*.G310 helixtrans-65.1-32.3176.9-58.2-180-161.1-155.7-5.2112.9D56 P104D56-R58 PolarHBondContact O-N 3.1Å; D56-R58 IonicContact OD2-NE 3.57Å; D56-R58 PolarHBondContact OD2-NE 2.72Å; R58-P104 HydrophobicContact CG-CB 4Å
59N70.6Confident80.1Confident50 Ų5051.3 Ų51.327%0.26725%0.253SS..G310 helixtrans-108.417.5-179.1-71.6-23.9000111.1N31 D56 V57N31-N59 VanDerWaalsContact CG-ND2 3.34Å; N31-N59 PolarHBondContact ND2-ND2 3.46Å; N31-N59 PolarHBondContact O-ND2 2.79Å; N31-N59 PolarHBondContact OD1-ND2 3.09Å; D56-N59 CarbonylContact O-C 3.5Å; D56-N59 PolarHBondContact O-N 2.94Å; V57-N59 VanDerWaalsContact C-N 3.27Å; V57-N59 PolarHBondContact O-N 2.57Å
60M70Confident80Confident42 Ų4248.8 Ų48.821%0.20724%0.241CC..  trans-58.4129.3173-169.472.3176.700108.5D56 V57 E62 L122 L123 L126D56-M60 PolarHBondContact O-N 3.08Å; V57-M60 VanDerWaalsContact O-CB 3.3Å; V57-M60 WeakPolarHBondContact O-CB 3.25Å; V57-M60 PolarHBondContact O-N 3.39Å; M60-E62 PolarHBondContact O-N 3.48Å; M60-L122 VanDerWaalsContact CE-O 3.3Å; M60-L122 WeakPolarHBondContact CE-O 3.5Å; M60-L123 HydrophobicContact SD-CD2 4.26Å; M60-L126 HydrophobicContact CE-CB 4.36Å; M60-L126 HydrophobicContact CE-CD1 3.64Å; M60-L126 HydrophobicContact CE-CG 3.51Å; M60-L126 HydrophobicContact SD-CD1 3.35Å; M60-L126 WeakPolarHBondContact SD-CD1 3.19Å; M60-L126 HydrophobicContact SD-CG 3.96Å
61P64.6Low79.7Confident21 Ų2148.6 Ų48.614%0.13624%0.237CC..  trans-59.8140.8177.918.9-26.1000110.4V34 S63 I66 F67V34-P61 HydrophobicContact CG2-CG 4.34Å; P61-S63 PolarHBondContact O-N 2.9Å; P61-S63 VanDerWaalsContact O-N 3.09Å; P61-I66 HydrophobicContact CB-CB 3.7Å; P61-I66 HydrophobicContact CB-CD1 4.22Å; P61-I66 HydrophobicContact CB-CG2 3.89Å; P61-F67 HydrophobicContact CG-CB 4.05Å
62E67.8Low79.4Confident198 Ų19853 Ų5393%0.92527%0.267SS*.SBendtrans-56.9-27.1179.1-64.4-173.317200112.3M60M60-E62 PolarHBondContact O-N 3.48Å
63S70.3Confident79.3Confident37 Ų3757 Ų5726%0.25929%0.289SS..SBendtrans-138.2142-179.394.50000111.2P61 E65 I66P61-S63 PolarHBondContact O-N 2.9Å; P61-S63 VanDerWaalsContact O-N 3.09Å; S63-E65 WeakPolarHBondContact CB-OE2 3.37Å; S63-E65 PolarHBondContact O-N 2.89Å; S63-E65 VanDerWaalsContact O-N 3.08Å; S63-E65 PolarHBondContact OG-OE2 3.01Å; S63-I66 PolarHBondContact O-N 2.92Å; S63-I66 VanDerWaalsContact O-N 3.14Å
64P73.4Confident79.1Confident50 Ų5057.9 Ų57.933%0.32529%0.293SS..Hα-helixtrans-59-20.6178.9-21.632000113.9F67 E68 R129P64-F67 PolarHBondContact O-N 2.84Å; P64-E68 PolarHBondContact O-N 3.29Å; P64-R129 PolarHBondContact O-NH1 3.03Å; P64-R129 VanDerWaalsContact O-NH1 3.12Å
65E77.6Confident78.9Confident121 Ų12159.3 Ų59.357%0.56530%0.303SS*.Hα-helixtrans-69.6-32.2178.8-58.374.6-159.900112.2S63 F67 E68 Q69S63-E65 WeakPolarHBondContact CB-OE2 3.37Å; S63-E65 PolarHBondContact O-N 2.89Å; S63-E65 VanDerWaalsContact O-N 3.08Å; S63-E65 PolarHBondContact OG-OE2 3.01Å; E65-F67 VanDerWaalsContact C-N 3.28Å; E65-F67 PolarHBondContact O-N 3.49Å; E65-E68 PolarHBondContact O-N 3.43Å; E65-Q69 WeakPolarHBondContact O-CB 3.37Å; E65-Q69 PolarHBondContact O-N 3.37Å
66I80.4Confident79Confident51 Ų5167.5 Ų67.526%0.26235%0.346SS..Hα-helixtrans-64.9-38.2176.7-61.8169000110V35 P61 S63 Q69 A70V35-I66 HydrophobicContact CG1-CG2 3.89Å; P61-I66 HydrophobicContact CB-CB 3.7Å; P61-I66 HydrophobicContact CB-CD1 4.22Å; P61-I66 HydrophobicContact CB-CG2 3.89Å; S63-I66 PolarHBondContact O-N 2.92Å; S63-I66 VanDerWaalsContact O-N 3.14Å; I66-Q69 PolarHBondContact O-N 3.04Å; I66-A70 WeakPolarHBondContact O-CB 3.44Å; I66-A70 PolarHBondContact O-N 3.31Å
67F82.2Confident79.2Confident10 Ų1068.8 Ų68.84%0.04436%0.36CS..Hα-helixtrans-63.3-47.5174.7-175-96.2000111.1I5 V34 I55 P61 P64 E65 Q69 A70 M71 L82 L126I5-F67 HydrophobicContact CD1-CE2 4.26Å; I5-F67 HydrophobicContact CD1-CZ 4.12Å; V34-F67 HydrophobicContact CG1-CB 4.46Å; V34-F67 HydrophobicContact CG1-CD2 3.75Å; I55-F67 HydrophobicContact CD1-CE2 3.95Å; P61-F67 HydrophobicContact CG-CB 4.05Å; P64-F67 PolarHBondContact O-N 2.84Å; E65-F67 VanDerWaalsContact C-N 3.28Å; E65-F67 PolarHBondContact O-N 3.49Å; F67-Q69 VanDerWaalsContact C-N 3.31Å; F67-Q69 PolarHBondContact O-N 3.42Å; F67-A70 PolarHBondContact O-N 2.87Å; F67-M71 HydrophobicContact CD1-CG 4Å; F67-M71 HydrophobicContact CE1-CG 3.63Å; F67-M71 HydrophobicContact CE1-SD 4.38Å; F67-M71 HydrophobicContact CE2-CE 4.42Å; F67-M71 HydrophobicContact CE2-CG 4.45Å; F67-M71 HydrophobicContact CZ-CG 3.88Å; F67-M71 HydrophobicContact CZ-SD 4.05Å; F67-M71 WeakPolarHBondContact O-CG 3.48Å; F67-M71 PolarHBondContact O-N 2.83Å; F67-L82 HydrophobicContact CZ-CD2 4.35Å; F67-L126 HydrophobicContact CD1-CD2 4.31Å; F67-L126 HydrophobicContact CD2-CD2 3.83Å; F67-L126 HydrophobicContact CE1-CD2 4.17Å; F67-L126 HydrophobicContact CE2-CD2 3.69Å; F67-L126 HydrophobicContact CG-CD2 4.15Å; F67-L126 HydrophobicContact CZ-CD2 3.86Å
68E82.7Confident79.9Confident86 Ų8668.6 Ų68.640%0.40236%0.359SS..Hα-helixtrans-61.2-39.5176.6-66.9-55.5137.900112.4P64 E65 M71 S72 R129P64-E68 PolarHBondContact O-N 3.29Å; E65-E68 PolarHBondContact O-N 3.43Å; E68-M71 PolarHBondContact O-N 2.93Å; E68-S72 WeakPolarHBondContact O-CB 3.47Å; E68-S72 PolarHBondContact O-N 3.05Å; E68-S72 PolarHBondContact O-OG 3Å; E68-R129 WeakPolarHBondContact OE1-CD 3.37Å; E68-R129 IonicContact OE1-CZ 2.9Å; E68-R129 IonicContact OE1-NE 3.83Å; E68-R129 PolarHBondContact OE1-NE 2.96Å; E68-R129 IonicContact OE1-NH1 2.81Å; E68-R129 PolarHBondContact OE1-NH1 3.03Å; E68-R129 IonicContact OE1-NH2 3.58Å
69Q86.1Confident80.6Confident124 Ų12464.1 Ų64.158%0.57935%0.352SS*.Hα-helixtrans-66.7-39176.7-170.6173.69.400111.3E65 I66 F67 S72 N73E65-Q69 WeakPolarHBondContact O-CB 3.37Å; E65-Q69 PolarHBondContact O-N 3.37Å; I66-Q69 PolarHBondContact O-N 3.04Å; F67-Q69 VanDerWaalsContact C-N 3.31Å; F67-Q69 PolarHBondContact O-N 3.42Å; Q69-S72 WeakPolarHBondContact CA-OG 3.49Å; Q69-S72 PolarHBondContact O-OG 2.81Å; Q69-S72 VanDerWaalsContact O-OG 3.12Å; Q69-N73 WeakPolarHBondContact O-CB 3.32Å; Q69-N73 VanDerWaalsContact O-CG 3.31Å; Q69-N73 PolarHBondContact O-N 3.38Å; Q69-N73 PolarHBondContact O-ND2 3.17Å
70A85.7Confident81.5Confident6 Ų664.3 Ų64.35%0.0536%0.355CS..Hα-helixtrans-66.1-42.4174.700000111.3V34 P38 I66 F67 N73V34-A70 HydrophobicContact CG1-CB 3.75Å; V34-A70 WeakPolarHBondContact O-CB 3.18Å; P38-A70 HydrophobicContact CG-CB 4.44Å; I66-A70 WeakPolarHBondContact O-CB 3.44Å; I66-A70 PolarHBondContact O-N 3.31Å; F67-A70 PolarHBondContact O-N 2.87Å; A70-N73 PolarHBondContact O-N 3.34Å
71M85.6Confident82.5Confident29 Ų2965.8 Ų65.814%0.14336%0.362CS..Hα-helixtrans-66.6-40.8179.2-68.1-57.496.800112.7I5 L37 F67 E68 N73 L74 P80I5-M71 HydrophobicContact CD1-CE 3.53Å; I5-M71 HydrophobicContact CD1-SD 3.42Å; I5-M71 WeakPolarHBondContact CD1-SD 3.37Å; L37-M71 HydrophobicContact CB-CE 4.42Å; L37-M71 HydrophobicContact CD1-CE 3.5Å; F67-M71 HydrophobicContact CD1-CG 4Å; F67-M71 HydrophobicContact CE1-CG 3.63Å; F67-M71 HydrophobicContact CE1-SD 4.38Å; F67-M71 HydrophobicContact CE2-CE 4.42Å; F67-M71 HydrophobicContact CE2-CG 4.45Å; F67-M71 HydrophobicContact CZ-CG 3.88Å; F67-M71 HydrophobicContact CZ-SD 4.05Å; F67-M71 WeakPolarHBondContact O-CG 3.48Å; F67-M71 PolarHBondContact O-N 2.83Å; E68-M71 PolarHBondContact O-N 2.93Å; M71-N73 VanDerWaalsContact C-N 3.26Å; M71-N73 PolarHBondContact O-N 3.23Å; M71-L74 HydrophobicContact CE-CD1 3.94Å; M71-L74 WeakPolarHBondContact O-CB 3.42Å; M71-L74 WeakPolarHBondContact O-CG 3.41Å; M71-L74 PolarHBondContact O-N 3.06Å; M71-L74 HydrophobicContact SD-CD1 3.81Å; M71-P80 HydrophobicContact SD-CB 3.95Å
72S85.9Confident83.6Confident91 Ų9165.2 Ų65.264%0.63636%0.358SS*.Hα-helixtrans-70.3-20176.952.70000114.1E68 Q69E68-S72 WeakPolarHBondContact O-CB 3.47Å; E68-S72 PolarHBondContact O-N 3.05Å; E68-S72 PolarHBondContact O-OG 3Å; Q69-S72 WeakPolarHBondContact CA-OG 3.49Å; Q69-S72 PolarHBondContact O-OG 2.81Å; Q69-S72 VanDerWaalsContact O-OG 3.12Å
73N89.5Confident84.8Confident86 Ų8655.8 Ų55.846%0.4631%0.314SS..THydrogen-bonded Turntrans-92.76.8176.8-75.1-49.5000113.8P38 Q69 A70 M71P38-N73 HydrophobicContact CB-CB 4.24Å; P38-N73 HydrophobicContact CG-CB 4.01Å; Q69-N73 WeakPolarHBondContact O-CB 3.32Å; Q69-N73 VanDerWaalsContact O-CG 3.31Å; Q69-N73 PolarHBondContact O-N 3.38Å; Q69-N73 PolarHBondContact O-ND2 3.17Å; A70-N73 PolarHBondContact O-N 3.34Å; M71-N73 VanDerWaalsContact C-N 3.26Å; M71-N73 PolarHBondContact O-N 3.23Å
74L89.2Confident85.8Confident18 Ų1854.2 Ų54.29%0.09430%0.302CS..SBendtrans-69.5145.7174.9-71.3171.5000111L3 A41 M71 P80L3-L74 HydrophobicContact CD2-CD1 3.8Å; L3-L74 HydrophobicContact CD2-CD2 3.57Å; L3-L74 HydrophobicContact CD2-CG 4.37Å; A41-L74 HydrophobicContact CB-CD2 3.71Å; M71-L74 HydrophobicContact CE-CD1 3.94Å; M71-L74 WeakPolarHBondContact O-CB 3.42Å; M71-L74 WeakPolarHBondContact O-CG 3.41Å; M71-L74 PolarHBondContact O-N 3.06Å; M71-L74 HydrophobicContact SD-CD1 3.81Å; L74-P80 HydrophobicContact CD1-CB 3.77Å; L74-P80 HydrophobicContact CD1-CG 3.96Å
75P87Confident86.8Confident31 Ų3151.9 Ų51.920%0.20129%0.287CS..  trans-62140.8170.9-18.230.7000111.4A41 R42 A77 F78A41-P75 HydrophobicContact CB-CG 4.14Å; R42-P75 HydrophobicContact CG-CG 3.74Å; P75-A77 PolarHBondContact O-N 3.16Å; P75-F78 PolarHBondContact O-N 3.3Å
76D84.9Confident87.5Confident172 Ų17246.8 Ų46.892%0.9226%0.264SS*.THydrogen-bonded Turntrans-55.4-22.6179.9-62.8-33.3000114.1F78D76-F78 PolarHBondContact O-N 3.37Å
77A85.8Confident88.1Confident51 Ų5144.5 Ų44.542%0.42125%0.252SS..THydrogen-bonded Turntrans-70.7-15.7178.100000113.7M1 P75M1-A77 HydrophobicContact CE-CB 3.54Å; M1-A77 PolarHBondContact N-O 2.89Å; P75-A77 PolarHBondContact O-N 3.16Å
78F87.1Confident88.6Confident8 Ų846.6 Ų46.64%0.03526%0.264CS..  trans-105.5125.3177-84.1-84000111.3M1 L3 A41 L44 A45 I49 A51 P75 D76 P80M1-F78 HydrophobicContact CB-CD1 3.83Å; M1-F78 HydrophobicContact CB-CE1 3.69Å; M1-F78 HydrophobicContact CB-CG 4.36Å; M1-F78 HydrophobicContact CB-CZ 4.08Å; M1-F78 HydrophobicContact CE-CD2 4.35Å; M1-F78 HydrophobicContact CE-CE2 4Å; M1-F78 HydrophobicContact CE-CZ 4.39Å; M1-F78 HydrophobicContact SD-CE1 4.22Å; M1-F78 HydrophobicContact SD-CE2 3.87Å; M1-F78 HydrophobicContact SD-CZ 3.65Å; L3-F78 HydrophobicContact CB-CB 4.4Å; L3-F78 HydrophobicContact CB-CD1 3.77Å; L3-F78 HydrophobicContact CB-CG 4.44Å; A41-F78 HydrophobicContact CB-CD2 4.03Å; A41-F78 HydrophobicContact CB-CE2 4.3Å; A41-F78 HydrophobicContact CB-CG 4.42Å; A41-F78 WeakPolarHBondContact O-CE2 3.26Å; L44-F78 HydrophobicContact CB-CE2 4.43Å; L44-F78 HydrophobicContact CB-CZ 3.92Å; A45-F78 HydrophobicContact CB-CD2 4.42Å; A45-F78 HydrophobicContact CB-CE2 3.9Å; I49-F78 VanDerWaalsContact O-CZ 3.32Å; I49-F78 WeakPolarHBondContact O-CZ 3.39Å; A51-F78 HydrophobicContact CB-CE1 4.41Å; P75-F78 PolarHBondContact O-N 3.3Å; D76-F78 PolarHBondContact O-N 3.37Å; F78-P80 WeakPolarHBondContact O-CD 3.32Å
79S86.8Confident88.9Confident65 Ų6546 Ų4646%0.45526%0.258SS..EExtended strand (participates in β ladder)trans-92.3113165.7-172.70000109M1 L3M1-S79 PolarHBondContact O-N 3.33Å; L3-S79 PolarHBondContact N-O 2.87Å
80P89.8Confident89.1Confident53 Ų5345.8 Ų45.834%0.34426%0.261SS..EExtended strand (participates in β ladder)trans-70.6137173.929.3-32.4000110.2L3 M71 L74 F78L3-P80 WeakPolarHBondContact O-CA 3.24Å; M71-P80 HydrophobicContact SD-CB 3.95Å; L74-P80 HydrophobicContact CD1-CB 3.77Å; L74-P80 HydrophobicContact CD1-CG 3.96Å; F78-P80 WeakPolarHBondContact O-CD 3.32Å
81Q89.4Confident89.4Confident73 Ų7345.7 Ų45.734%0.34126%0.26SS..EExtended strand (participates in β ladder)trans-132.8128170.2-70.3-172.5-15.300109V2 L3 M4 I5 D131V2-Q81 HydrophobicContact CG1-CG 4.41Å; L3-Q81 PolarHBondContact O-N 2.64Å; M4-Q81 CarbonylContact C-O 3.4Å; M4-Q81 HydrophobicContact CE-CB 3.95Å; M4-Q81 VanDerWaalsContact CE-OE1 3.26Å; M4-Q81 HydrophobicContact SD-CB 4.07Å; I5-Q81 PolarHBondContact N-O 3.28Å; Q81-D131 WeakPolarHBondContact CA-OD2 3.43Å
82L89.3Confident89.6Confident9 Ų944.3 Ų44.35%0.04725%0.253CS..EExtended strand (participates in β ladder)trans-100.3108.3179.5-179.259.2000110.6I5 F67 L126 R129 A130 D131 L132I5-L82 HydrophobicContact CB-CD1 3.81Å; I5-L82 HydrophobicContact CG2-CD1 3.5Å; I5-L82 VanDerWaalsContact CG2-CD1 3.5Å; F67-L82 HydrophobicContact CZ-CD2 4.35Å; L82-L126 HydrophobicContact CD2-CD2 4.17Å; L82-L126 WeakPolarHBondContact CD2-O 3.36Å; L82-R129 HydrophobicContact CD2-CB 4.19Å; L82-A130 HydrophobicContact CD2-CB 4.33Å; L82-A130 HydrophobicContact CG-CB 4.16Å; L82-D131 PolarHBondContact N-OD2 3.39Å; L82-D131 PolarHBondContact O-N 2.82Å; L82-L132 PolarHBondContact O-N 3.49Å
83L91.7Very high89.7Confident1 Ų141.8 Ų41.81%0.00523%0.232CC..EExtended strand (participates in β ladder)trans-91.1120.9169.1172.764.2000109.4M4 I5 V6 S7 L85 L132 V134 L148M4-L83 HydrophobicContact SD-CB 3.85Å; I5-L83 PolarHBondContact O-N 3.29Å; V6-L83 HydrophobicContact CG1-CD2 4.37Å; V6-L83 HydrophobicContact CG2-CD2 4.29Å; S7-L83 PolarHBondContact N-O 2.9Å; L83-L85 HydrophobicContact CD1-CD2 4.02Å; L83-L85 HydrophobicContact CD2-CD2 4.16Å; L83-L85 HydrophobicContact CG-CD2 4.05Å; L83-L85 HydrophobicContact CG-CG 4.4Å; L83-L132 HydrophobicContact CD1-CB 4.15Å; L83-L132 HydrophobicContact CD1-CD2 3.87Å; L83-L132 HydrophobicContact CD1-CG 3.86Å; L83-V134 HydrophobicContact CD1-CG2 3.7Å; L83-L148 HydrophobicContact CD1-CD2 4.13Å; L83-L148 HydrophobicContact CD2-CD1 4.39Å; L83-L148 HydrophobicContact CD2-CD2 3.55Å
84F92.2Very high89.7Confident4 Ų444 Ų442%0.01823%0.233CC..EExtended strand (participates in β ladder)trans-109.4118.9174-167.1-87.4000110.9S7 D86 L123 R127 A130 L132 I133 V134S7-F84 WeakPolarHBondContact O-CA 3.44Å; F84-D86 HydrophobicContact CD1-CB 4.25Å; F84-D86 HydrophobicContact CE1-CB 4.06Å; F84-L123 HydrophobicContact CE2-CB 4.06Å; F84-L123 HydrophobicContact CE2-CD1 4.46Å; F84-L123 HydrophobicContact CZ-CB 4.08Å; F84-L123 HydrophobicContact CZ-CD1 4.34Å; F84-R127 HydrophobicContact CD1-CB 4.34Å; F84-R127 HydrophobicContact CD1-CG 3.98Å; F84-R127 HydrophobicContact CD2-CB 4.12Å; F84-R127 HydrophobicContact CE1-CB 4.1Å; F84-R127 HydrophobicContact CE1-CG 3.89Å; F84-R127 HydrophobicContact CE2-CB 3.87Å; F84-R127 HydrophobicContact CG-CB 4.34Å; F84-R127 HydrophobicContact CG-CG 4.33Å; F84-R127 HydrophobicContact CZ-CB 3.85Å; F84-R127 HydrophobicContact CZ-CG 4.17Å; F84-A130 HydrophobicContact CB-CB 3.52Å; F84-A130 HydrophobicContact CG-CB 4.48Å; F84-L132 PolarHBondContact N-O 2.81Å; F84-I133 HydrophobicContact CB-CG1 4.32Å; F84-I133 HydrophobicContact CD1-CG2 4.36Å; F84-I133 WeakPolarHBondContact O-CA 3.25Å; F84-V134 PolarHBondContact O-N 3.27Å
85L93.9Very high89.7Confident0 Ų045.7 Ų45.70%024%0.239CC..EExtended strand (participates in β ladder)trans-97.4119.4176-59-179.9000110.4V6 S7 G8 R9 S12 K14 A17 L83 V134 T136 L144V6-L85 HydrophobicContact CG1-CD1 4.19Å; S7-L85 PolarHBondContact O-N 3.27Å; G8-L85 CarbonylContact C-O 3.53Å; G8-L85 WeakPolarHBondContact CA-O 3.36Å; R9-L85 PolarHBondContact N-O 2.81Å; S12-L85 WeakPolarHBondContact CB-O 3.48Å; S12-L85 WeakPolarHBondContact OG-CB 3.46Å; S12-L85 PolarHBondContact OG-O 2.84Å; K14-L85 HydrophobicContact CG-CD1 4.3Å; A17-L85 HydrophobicContact CB-CD1 3.68Å; L83-L85 HydrophobicContact CD1-CD2 4.02Å; L83-L85 HydrophobicContact CD2-CD2 4.16Å; L83-L85 HydrophobicContact CG-CD2 4.05Å; L83-L85 HydrophobicContact CG-CG 4.4Å; L85-V134 HydrophobicContact CD2-CB 3.76Å; L85-V134 HydrophobicContact CD2-CG1 4.2Å; L85-V134 HydrophobicContact CD2-CG2 4.21Å; L85-T136 HydrophobicContact CD2-CG2 4.35Å; L85-L144 HydrophobicContact CD2-CD1 4.21Å
86D93Very high89.5Confident15 Ų1545.1 Ų45.18%0.0823%0.233CC..EExtended strand (participates in β ladder)trans-113.9163.7177.5-153.5-2.4000111R9 F84 R127 V134 T136R9-D86 WeakPolarHBondContact CD-OD1 3.46Å; R9-D86 IonicContact NH1-OD1 3.54Å; F84-D86 HydrophobicContact CD1-CB 4.25Å; F84-D86 HydrophobicContact CE1-CB 4.06Å; D86-R127 IonicContact OD2-CZ 3.99Å; D86-R127 VanDerWaalsContact OD2-CZ 3.26Å; D86-R127 IonicContact OD2-NE 3.73Å; D86-R127 IonicContact OD2-NH1 3.24Å; D86-R127 IonicContact OD2-NH2 3.05Å; D86-R127 PolarHBondContact OD2-NH2 2.79Å; D86-V134 PolarHBondContact N-O 3.12Å; D86-T136 PolarHBondContact O-N 3.08Å; D86-T136 PolarHBondContact O-OG1 2.81Å
87A92.4Very high89.5Confident3 Ų340.5 Ų40.53%0.02521%0.214CC..  trans-157.6154.8168.700000109.1R9 T91 L92 S137R9-A87 PolarHBondContact NH1-O 2.81Å; A87-T91 HydrophobicContact CB-CG2 4.41Å; A87-L92 HydrophobicContact CB-CD2 3.74Å; A87-L92 HydrophobicContact CB-CG 3.92Å; A87-S137 WeakPolarHBondContact CA-OG 3.47Å
88D91.9Very high89.5Confident53 Ų5343.7 Ų43.728%0.28322%0.224SC..  trans-63.8153.5175.482.185.2000111.2N90 T91 L92 S137D88-N90 VanDerWaalsContact C-N 3.29Å; D88-N90 PolarHBondContact O-N 2.75Å; D88-N90 WeakPolarHBondContact OD1-CA 3.05Å; D88-N90 VanDerWaalsContact OD1-CB 3.31Å; D88-N90 WeakPolarHBondContact OD1-CB 3.13Å; D88-N90 PolarHBondContact OD1-N 3.47Å; D88-T91 PolarHBondContact O-N 2.93Å; D88-T91 PolarHBondContact OD1-N 3.28Å; D88-T91 WeakPolarHBondContact OD2-CB 3.21Å; D88-T91 PolarHBondContact OD2-OG1 3.37Å; D88-L92 WeakPolarHBondContact O-CG 3.41Å; D88-L92 PolarHBondContact O-N 2.95Å; D88-S137 PolarHBondContact N-OG 3.36Å; D88-S137 WeakPolarHBondContact OD2-CB 3.48Å; D88-S137 PolarHBondContact OD2-OG 2.69Å
89R90.4Very high89.2Confident75 Ų7547 Ų4728%0.28325%0.245SC..Hα-helixtrans-57.3-41-175.3-171.1-179.8-169.3-99.310.7112.5L92 I93 E113 I116 D117R89-L92 PolarHBondContact O-N 3.34Å; R89-I93 HydrophobicContact CG-CD1 4.05Å; R89-I93 WeakPolarHBondContact O-CD1 3.33Å; R89-I93 VanDerWaalsContact O-CG1 3.25Å; R89-I93 WeakPolarHBondContact O-CG1 2.93Å; R89-I93 PolarHBondContact O-N 2.95Å; R89-E113 IonicContact CZ-OE2 3.8Å; R89-E113 VanDerWaalsContact CZ-OE2 3.3Å; R89-E113 IonicContact NH1-OE2 3.26Å; R89-E113 PolarHBondContact NH1-OE2 2.98Å; R89-E113 VanDerWaalsContact NH2-CB 3.25Å; R89-E113 IonicContact NH2-OE2 3.92Å; R89-E113 PolarHBondContact NH2-OE2 3.44Å; R89-I116 HydrophobicContact CG-CG2 4.25Å; R89-D117 IonicContact CZ-OD1 2.64Å; R89-D117 IonicContact CZ-OD2 2.83Å; R89-D117 IonicContact NE-OD1 3.95Å; R89-D117 PolarHBondContact NE-OD1 2.94Å; R89-D117 IonicContact NE-OD2 3.84Å; R89-D117 PolarHBondContact NE-OD2 2.94Å; R89-D117 IonicContact NH2-OD1 3.39Å; R89-D117 IonicContact NH2-OD2 3.06Å; R89-D117 PolarHBondContact NH2-OD2 3.25Å
90N90.6Very high88.9Confident118 Ų11854.7 Ų54.763%0.63126%0.264SS*.Hα-helixtrans-71.4-39.8-177.3-62.9-37.3000110.7D88 I93 R94D88-N90 VanDerWaalsContact C-N 3.29Å; D88-N90 PolarHBondContact O-N 2.75Å; D88-N90 WeakPolarHBondContact OD1-CA 3.05Å; D88-N90 VanDerWaalsContact OD1-CB 3.31Å; D88-N90 WeakPolarHBondContact OD1-CB 3.13Å; D88-N90 PolarHBondContact OD1-N 3.47Å; N90-I93 PolarHBondContact O-N 3.31Å; N90-R94 WeakPolarHBondContact O-CB 3.43Å; N90-R94 PolarHBondContact O-N 3.35Å
91T90.7Very high88.5Confident5 Ų560.5 Ų60.53%0.03128%0.279CS..Hα-helixtrans-62.6-42.4173.6-70.10000112A87 D88 R94 R95 S137A87-T91 HydrophobicContact CB-CG2 4.41Å; D88-T91 PolarHBondContact O-N 2.93Å; D88-T91 PolarHBondContact OD1-N 3.28Å; D88-T91 WeakPolarHBondContact OD2-CB 3.21Å; D88-T91 PolarHBondContact OD2-OG1 3.37Å; T91-R94 PolarHBondContact O-N 3.14Å; T91-R95 HydrophobicContact CG2-CG 4.28Å; T91-R95 WeakPolarHBondContact O-CB 3.18Å; T91-R95 VanDerWaalsContact O-CG 3.31Å; T91-R95 WeakPolarHBondContact O-CG 3.41Å; T91-R95 PolarHBondContact O-N 3.07Å; T91-S137 WeakPolarHBondContact CG2-O 3.25Å
92L90.2Very high88.1Confident0 Ų063.9 Ų63.90%030%0.298CS..Hα-helixtrans-61.1-47.1175.8-69178.5000111.6R9 S10 A87 D88 R89 R94 R95 Y96 I116R9-L92 HydrophobicContact CB-CD1 3.95Å; S10-L92 WeakPolarHBondContact O-CD2 3.41Å; A87-L92 HydrophobicContact CB-CD2 3.74Å; A87-L92 HydrophobicContact CB-CG 3.92Å; D88-L92 WeakPolarHBondContact O-CG 3.41Å; D88-L92 PolarHBondContact O-N 2.95Å; R89-L92 PolarHBondContact O-N 3.34Å; L92-R94 VanDerWaalsContact C-N 3.32Å; L92-R94 PolarHBondContact O-N 3.02Å; L92-R95 PolarHBondContact O-N 3.16Å; L92-Y96 WeakPolarHBondContact O-CD2 3.31Å; L92-Y96 PolarHBondContact O-N 3.13Å; L92-I116 HydrophobicContact CB-CD1 4.03Å; L92-I116 HydrophobicContact CD1-CG2 3.98Å
93I88.4Confident87.8Confident37 Ų3763.7 Ų63.719%0.1930%0.298CS..Hα-helixtrans-59.3-43.9177.2-68.7163.9000111.1R89 N90 Y96 S97 L112 E113 I116R89-I93 HydrophobicContact CG-CD1 4.05Å; R89-I93 WeakPolarHBondContact O-CD1 3.33Å; R89-I93 VanDerWaalsContact O-CG1 3.25Å; R89-I93 WeakPolarHBondContact O-CG1 2.93Å; R89-I93 PolarHBondContact O-N 2.95Å; N90-I93 PolarHBondContact O-N 3.31Å; I93-Y96 PolarHBondContact O-N 2.81Å; I93-S97 WeakPolarHBondContact O-CB 3.42Å; I93-S97 PolarHBondContact O-N 2.86Å; I93-S97 PolarHBondContact O-OG 3.17Å; I93-L112 HydrophobicContact CG1-CD2 4.47Å; I93-L112 HydrophobicContact CG2-CD2 4.29Å; I93-E113 HydrophobicContact CD1-CG 3.82Å; I93-I116 HydrophobicContact CG1-CD1 3.63Å
94R88.4Confident87.2Confident132 Ų13264.5 Ų64.550%0.49830%0.303SS..Hα-helixtrans-59.7-52.4176-176.7176.767.3-169-3.4111.4N90 T91 L92 Y96 S97 D98N90-R94 WeakPolarHBondContact O-CB 3.43Å; N90-R94 PolarHBondContact O-N 3.35Å; T91-R94 PolarHBondContact O-N 3.14Å; L92-R94 VanDerWaalsContact C-N 3.32Å; L92-R94 PolarHBondContact O-N 3.02Å; R94-Y96 VanDerWaalsContact C-N 3.29Å; R94-Y96 PolarHBondContact O-N 2.9Å; R94-S97 WeakPolarHBondContact O-CA 3.37Å; R94-S97 WeakPolarHBondContact O-CB 3.33Å; R94-S97 PolarHBondContact O-N 2.84Å; R94-D98 VanDerWaalsContact O-CG 3.3Å; R94-D98 PolarHBondContact O-N 3.44Å
95R89.1Confident86.6Confident55 Ų5565 Ų6521%0.20831%0.305CS..Hα-helixtrans-59.5-37.3179.6-72.6178178.1171.54.9112.8G11 T91 L92 T99 T136 M139G11-R95 WeakPolarHBondContact O-CD 3.46Å; G11-R95 PolarHBondContact O-NH1 3.09Å; T91-R95 HydrophobicContact CG2-CG 4.28Å; T91-R95 WeakPolarHBondContact O-CB 3.18Å; T91-R95 VanDerWaalsContact O-CG 3.31Å; T91-R95 WeakPolarHBondContact O-CG 3.41Å; T91-R95 PolarHBondContact O-N 3.07Å; L92-R95 PolarHBondContact O-N 3.16Å; R95-T99 WeakPolarHBondContact O-CB 3.43Å; R95-T99 WeakPolarHBondContact O-CG2 3.41Å; R95-T99 PolarHBondContact O-N 3.3Å; R95-T99 PolarHBondContact O-OG1 3.34Å; R95-T136 PolarHBondContact NH1-OG1 3.19Å; R95-T136 VanDerWaalsContact NH1-OG1 3.08Å; R95-T136 PolarHBondContact NH2-O 2.96Å; R95-M139 PolarHBondContact NH2-O 3.32Å
96Y84.8Confident85.8Confident19 Ų1966.9 Ų66.98%0.07532%0.319CS..Hα-helixtrans-68-39.8174.7-93.5-68.5000112.9S10 L92 I93 R94 R100 R101 H103 P104 L112S10-Y96 WeakPolarHBondContact CB-OH 3.31Å; S10-Y96 VanDerWaalsContact O-CE2 3.22Å; S10-Y96 WeakPolarHBondContact O-CE2 3.47Å; L92-Y96 WeakPolarHBondContact O-CD2 3.31Å; L92-Y96 PolarHBondContact O-N 3.13Å; I93-Y96 PolarHBondContact O-N 2.81Å; R94-Y96 VanDerWaalsContact C-N 3.29Å; R94-Y96 PolarHBondContact O-N 2.9Å; Y96-R100 PolarHBondContact O-N 3.2Å; Y96-R101 VanDerWaalsContact CD1-O 3.25Å; Y96-R101 WeakPolarHBondContact CD1-O 3.36Å; Y96-R101 HydrophobicContact CE1-CB 4.47Å; Y96-H103 HydrophobicContact CE1-CB 4.06Å; Y96-H103 AromaticContact CE2-CD2 3.46Å; Y96-H103 VanDerWaalsContact CE2-CD2 3.46Å; Y96-H103 WeakPolarHBondContact CE2-CD2 3.36Å; Y96-H103 AromaticContact CZ-CD2 3.52Å; Y96-H103 PolarHBondContact OH-CD2 3.38Å; Y96-P104 WeakPolarHBondContact OH-CD 3.37Å; Y96-L112 HydrophobicContact CD1-CD1 4.44Å; Y96-L112 HydrophobicContact CD2-CD1 4.03Å; Y96-L112 HydrophobicContact CG-CD1 3.94Å
97S84.2Confident84.7Confident74 Ų7471 Ų7152%0.51735%0.348SS..Hα-helixtrans-63.3-42.6175.7-56.90000111.2I93 R94I93-S97 WeakPolarHBondContact O-CB 3.42Å; I93-S97 PolarHBondContact O-N 2.86Å; I93-S97 PolarHBondContact O-OG 3.17Å; R94-S97 WeakPolarHBondContact O-CA 3.37Å; R94-S97 WeakPolarHBondContact O-CB 3.33Å; R94-S97 PolarHBondContact O-N 2.84Å
98D84.5Confident83.6Confident118 Ų11877 Ų7763%0.63137%0.374SS*.Hα-helixtrans-68.6-46.7-179.6-64.9-23.7000112.4R94 R100R94-D98 VanDerWaalsContact O-CG 3.3Å; R94-D98 PolarHBondContact O-N 3.44Å; D98-R100 VanDerWaalsContact C-N 3.27Å; D98-R100 PolarHBondContact O-N 2.91Å
99T82.3Confident82.7Confident79 Ų7982.3 Ų82.349%0.48540%0.403SS..Hα-helixtrans-77.1-15.2-17758.40000113.2R95 R101R95-T99 WeakPolarHBondContact O-CB 3.43Å; R95-T99 WeakPolarHBondContact O-CG2 3.41Å; R95-T99 PolarHBondContact O-N 3.3Å; R95-T99 PolarHBondContact O-OG1 3.34Å; T99-R101 PolarHBondContact O-N 3.21Å
100R80.8Confident82.1Confident225 Ų22581.2 Ų81.285%0.84940%0.402SS*.  trans51.420.7-171.8-62.4177.1-72178.1-3.2113.4Y96 D98Y96-R100 PolarHBondContact O-N 3.2Å; D98-R100 VanDerWaalsContact C-N 3.27Å; D98-R100 PolarHBondContact O-N 2.91Å
101R79.7Confident81.9Confident176 Ų17678.7 Ų78.766%0.66439%0.393SS*.PPolyproline II helixtrans-78146.3177.5-74.4-177.5175-169.3-1.5109.2Y96 T99Y96-R101 VanDerWaalsContact CD1-O 3.25Å; Y96-R101 WeakPolarHBondContact CD1-O 3.36Å; Y96-R101 HydrophobicContact CE1-CB 4.47Å; T99-R101 PolarHBondContact O-N 3.21Å
102L81Confident81.6Confident143 Ų14381 Ų8175%0.74941%0.405SS*.PPolyproline II helixtrans-77.5135.5173-69.2168.2000110
103H83.1Confident81.5Confident6 Ų685.5 Ų85.53%0.02843%0.426CS..PPolyproline II helixtrans-64.5137.2170.3-169.3-77.4000109.7Y96 L105 S106 L112 E119Y96-H103 HydrophobicContact CE1-CB 4.06Å; Y96-H103 AromaticContact CE2-CD2 3.46Å; Y96-H103 VanDerWaalsContact CE2-CD2 3.46Å; Y96-H103 WeakPolarHBondContact CE2-CD2 3.36Å; Y96-H103 AromaticContact CZ-CD2 3.52Å; Y96-H103 PolarHBondContact OH-CD2 3.38Å; H103-L105 PolarHBondContact ND1-N 3.07Å; H103-L105 VanDerWaalsContact ND1-N 3.2Å; H103-L105 PolarHBondContact O-N 2.76Å; H103-L105 VanDerWaalsContact O-N 3.12Å; H103-S106 WeakPolarHBondContact O-CB 3.4Å; H103-S106 PolarHBondContact O-N 3.27Å; H103-L112 HydrophobicContact CB-CD1 3.79Å; H103-E119 IonicContact CE1-OE1 2.87Å; H103-E119 IonicContact NE2-OE1 3.3Å; H103-E119 IonicContact NE2-OE2 2.92Å
104P80.3Confident81.4Confident17 Ų1786.4 Ų86.411%0.1144%0.436CS..G310 helixtrans-49.8-40.5-179.2-31.236.5000114.7V57 R58 Y96 S107V57-P104 HydrophobicContact CG1-CB 3.87Å; V57-P104 HydrophobicContact CG1-CG 4.31Å; R58-P104 HydrophobicContact CG-CB 4Å; Y96-P104 WeakPolarHBondContact OH-CD 3.37Å; P104-S107 PolarHBondContact O-OG 3.18Å
105L79.7Confident81.3Confident14 Ų1480.1 Ų80.17%0.07341%0.412CS..G310 helixtrans-85.5-3.1178.9-61.2177.9000115.1H103 S107 K108 A115 K118 E119 L122H103-L105 PolarHBondContact ND1-N 3.07Å; H103-L105 VanDerWaalsContact ND1-N 3.2Å; H103-L105 PolarHBondContact O-N 2.76Å; H103-L105 VanDerWaalsContact O-N 3.12Å; L105-S107 PolarHBondContact O-N 2.79Å; L105-K108 PolarHBondContact O-N 3.35Å; L105-A115 HydrophobicContact CB-CB 4.12Å; L105-K118 HydrophobicContact CD1-CG 4.45Å; L105-E119 HydrophobicContact CD1-CB 3.93Å; L105-L122 HydrophobicContact CD1-CD1 4.02Å
106S76.5Confident81.3Confident40 Ų4077.5 Ų77.528%0.2840%0.402SS..G310 helixtrans-64-25.6178.2173.60000112.4H103 K108 N109H103-S106 WeakPolarHBondContact O-CB 3.4Å; H103-S106 PolarHBondContact O-N 3.27Å; S106-K108 PolarHBondContact O-N 2.91Å; S106-N109 PolarHBondContact O-N 3.01Å
107S69.7Low81.5Confident101 Ų10179.6 Ų79.671%0.70642%0.415SS*.G310 helixtrans-59.2-15175.856.30000114.4P104 L105 N109P104-S107 PolarHBondContact O-OG 3.18Å; L105-S107 PolarHBondContact O-N 2.79Å; S107-N109 VanDerWaalsContact C-N 3.35Å
108K69.5Low81.6Confident130 Ų13080.3 Ų80.357%0.56541%0.409SS*.G310 helixtrans-92.123.1178.3-62.3-173178.1-179.60113.9L105 S106 L110L105-K108 PolarHBondContact O-N 3.35Å; S106-K108 PolarHBondContact O-N 2.91Å; K108-L110 HydrophobicContact CB-CD1 4.38Å; K108-L110 HydrophobicContact CB-CG 4.38Å; K108-L110 PolarHBondContact O-N 3.28Å
109N74Confident81.8Confident165 Ų16574.7 Ų74.788%0.88238%0.379SS*.SBendtrans58.127.8-175.2-69-21.6000114.3S106 S107S106-N109 PolarHBondContact O-N 3.01Å; S107-N109 VanDerWaalsContact C-N 3.35Å
110L77.5Confident82Confident52 Ų5272.3 Ų72.327%0.27237%0.365SS..  trans-90.5145.1175.8-65.2173.2000110.2K108 A115 K118K108-L110 HydrophobicContact CB-CD1 4.38Å; K108-L110 HydrophobicContact CB-CG 4.38Å; K108-L110 PolarHBondContact O-N 3.28Å; L110-A115 HydrophobicContact CB-CB 4.3Å; L110-K118 HydrophobicContact CD1-CD 3.83Å
111S85.6Confident82.3Confident64 Ų6467.6 Ų67.645%0.44836%0.357SS..  trans-60.9154.4164.767.90000109.6E113 S114 A115S111-E113 PolarHBondContact O-N 3.36Å; S111-S114 PolarHBondContact O-N 3.34Å; S111-S114 WeakPolarHBondContact OG-CB 3.36Å; S111-S114 PolarHBondContact OG-N 2.91Å; S111-S114 VanDerWaalsContact OG-N 3.14Å; S111-S114 PolarHBondContact OG-OG 3.23Å; S111-A115 VanDerWaalsContact O-CB 3.31Å; S111-A115 WeakPolarHBondContact O-CB 3.41Å; S111-A115 PolarHBondContact O-N 2.88Å
112L85.1Confident82.5Confident53 Ų5362.8 Ų62.828%0.27734%0.344SS..Hα-helixtrans-54-43.8177.4175.961.5000111.3I93 Y96 H103 A115 I116I93-L112 HydrophobicContact CG1-CD2 4.47Å; I93-L112 HydrophobicContact CG2-CD2 4.29Å; Y96-L112 HydrophobicContact CD1-CD1 4.44Å; Y96-L112 HydrophobicContact CD2-CD1 4.03Å; Y96-L112 HydrophobicContact CG-CD1 3.94Å; H103-L112 HydrophobicContact CB-CD1 3.79Å; L112-A115 WeakPolarHBondContact O-CB 3.34Å; L112-A115 PolarHBondContact O-N 3.28Å; L112-I116 HydrophobicContact CD1-CD1 4.01Å; L112-I116 HydrophobicContact CD1-CG1 4.34Å; L112-I116 HydrophobicContact CG-CD1 3.97Å; L112-I116 VanDerWaalsContact O-CG1 3.32Å; L112-I116 WeakPolarHBondContact O-CG1 3.41Å; L112-I116 PolarHBondContact O-N 2.93Å
113E86.6Confident82.8Confident96 Ų9656.1 Ų56.145%0.44931%0.309SS..Hα-helixtrans-55.7-56.4175.1-81.2-167.6-130.500112.9R89 I93 S111 A115 I116 D117R89-E113 IonicContact CZ-OE2 3.8Å; R89-E113 VanDerWaalsContact CZ-OE2 3.3Å; R89-E113 IonicContact NH1-OE2 3.26Å; R89-E113 PolarHBondContact NH1-OE2 2.98Å; R89-E113 VanDerWaalsContact NH2-CB 3.25Å; R89-E113 IonicContact NH2-OE2 3.92Å; R89-E113 PolarHBondContact NH2-OE2 3.44Å; I93-E113 HydrophobicContact CD1-CG 3.82Å; S111-E113 PolarHBondContact O-N 3.36Å; E113-A115 PolarHBondContact O-N 2.85Å; E113-I116 PolarHBondContact O-N 2.96Å; E113-D117 VanDerWaalsContact O-CG 3.26Å; E113-D117 PolarHBondContact O-N 2.81Å
114S86.4Confident83Confident56 Ų5660.1 Ų60.139%0.39233%0.328SS..Hα-helixtrans-65.8-27.4178.7-590000112.7S111 K118S111-S114 PolarHBondContact O-N 3.34Å; S111-S114 WeakPolarHBondContact OG-CB 3.36Å; S111-S114 PolarHBondContact OG-N 2.91Å; S111-S114 VanDerWaalsContact OG-N 3.14Å; S111-S114 PolarHBondContact OG-OG 3.23Å; S114-K118 VanDerWaalsContact O-CB 3.23Å; S114-K118 WeakPolarHBondContact O-CB 3.42Å; S114-K118 PolarHBondContact O-N 3.17Å
115A86.9Confident83.2Confident0 Ų061.6 Ų61.60%034%0.337CS..Hα-helixtrans-69.7-40.717500000111.9L105 L110 S111 L112 E113 E119L105-A115 HydrophobicContact CB-CB 4.12Å; L110-A115 HydrophobicContact CB-CB 4.3Å; S111-A115 VanDerWaalsContact O-CB 3.31Å; S111-A115 WeakPolarHBondContact O-CB 3.41Å; S111-A115 PolarHBondContact O-N 2.88Å; L112-A115 WeakPolarHBondContact O-CB 3.34Å; L112-A115 PolarHBondContact O-N 3.28Å; E113-A115 PolarHBondContact O-N 2.85Å; A115-E119 VanDerWaalsContact O-CB 3.28Å; A115-E119 WeakPolarHBondContact O-CB 3.33Å; A115-E119 PolarHBondContact O-N 2.93Å
116I89.1Confident83.3Confident0 Ų061.1 Ų61.10%034%0.335CS..Hα-helixtrans-67.2-40.4175.9-71.3166.3000111.1R9 R89 L92 I93 L112 E113 E119 S120R9-I116 VanDerWaalsContact NH2-CG2 3.26Å; R9-I116 PolarHBondContact NH2-O 3.35Å; R89-I116 HydrophobicContact CG-CG2 4.25Å; L92-I116 HydrophobicContact CB-CD1 4.03Å; L92-I116 HydrophobicContact CD1-CG2 3.98Å; I93-I116 HydrophobicContact CG1-CD1 3.63Å; L112-I116 HydrophobicContact CD1-CD1 4.01Å; L112-I116 HydrophobicContact CD1-CG1 4.34Å; L112-I116 HydrophobicContact CG-CD1 3.97Å; L112-I116 VanDerWaalsContact O-CG1 3.32Å; L112-I116 WeakPolarHBondContact O-CG1 3.41Å; L112-I116 PolarHBondContact O-N 2.93Å; E113-I116 PolarHBondContact O-N 2.96Å; I116-E119 PolarHBondContact O-N 2.93Å; I116-S120 PolarHBondContact O-N 2.78Å; I116-S120 VanDerWaalsContact O-N 3.08Å
117D88.5Confident83.8Confident62 Ų6263 Ų6333%0.33234%0.336SS..Hα-helixtrans-66.2-47.8178.5-62.4-28000109.9R89 E113 E119 S120 D121R89-D117 IonicContact CZ-OD1 2.64Å; R89-D117 IonicContact CZ-OD2 2.83Å; R89-D117 IonicContact NE-OD1 3.95Å; R89-D117 PolarHBondContact NE-OD1 2.94Å; R89-D117 IonicContact NE-OD2 3.84Å; R89-D117 PolarHBondContact NE-OD2 2.94Å; R89-D117 IonicContact NH2-OD1 3.39Å; R89-D117 IonicContact NH2-OD2 3.06Å; R89-D117 PolarHBondContact NH2-OD2 3.25Å; E113-D117 VanDerWaalsContact O-CG 3.26Å; E113-D117 PolarHBondContact O-N 2.81Å; D117-E119 VanDerWaalsContact C-N 3.33Å; D117-E119 PolarHBondContact O-N 2.89Å; D117-S120 WeakPolarHBondContact O-CB 3.43Å; D117-S120 PolarHBondContact O-N 2.74Å; D117-S120 VanDerWaalsContact O-N 3.09Å; D117-D121 PolarHBondContact O-N 3.49Å
118K86.6Confident84.6Confident90 Ų9062.4 Ų62.439%0.39133%0.331SS..Hα-helixtrans-64.6-34.6176.4-173170.5-173.2165.20113.5L105 L110 S114 S120 D121 L122L105-K118 HydrophobicContact CD1-CG 4.45Å; L110-K118 HydrophobicContact CD1-CD 3.83Å; S114-K118 VanDerWaalsContact O-CB 3.23Å; S114-K118 WeakPolarHBondContact O-CB 3.42Å; S114-K118 PolarHBondContact O-N 3.17Å; K118-S120 VanDerWaalsContact C-N 3.28Å; K118-D121 PolarHBondContact O-N 3.21Å; K118-L122 HydrophobicContact CG-CD1 4.41Å; K118-L122 WeakPolarHBondContact O-CG 3.28Å; K118-L122 PolarHBondContact O-N 3.23Å
119E88.8Confident85.4Confident0 Ų060.5 Ų60.50%032%0.32CS..Hα-helixtrans-63.9-37.9173.6-175.1179.7-112.300111.1R9 S10 V57 H103 L105 A115 I116 D117 D121 L122 L123R9-E119 WeakPolarHBondContact CA-OE2 3.44Å; S10-E119 VanDerWaalsContact CB-OE1 3.26Å; S10-E119 WeakPolarHBondContact CB-OE1 3.42Å; S10-E119 PolarHBondContact N-OE1 2.6Å; S10-E119 PolarHBondContact N-OE2 2.95Å; S10-E119 PolarHBondContact OG-OE1 3.18Å; V57-E119 HydrophobicContact CB-CG 4.41Å; V57-E119 HydrophobicContact CG2-CG 4.25Å; H103-E119 IonicContact CE1-OE1 2.87Å; H103-E119 IonicContact NE2-OE1 3.3Å; H103-E119 IonicContact NE2-OE2 2.92Å; L105-E119 HydrophobicContact CD1-CB 3.93Å; A115-E119 VanDerWaalsContact O-CB 3.28Å; A115-E119 WeakPolarHBondContact O-CB 3.33Å; A115-E119 PolarHBondContact O-N 2.93Å; I116-E119 PolarHBondContact O-N 2.93Å; D117-E119 VanDerWaalsContact C-N 3.33Å; D117-E119 PolarHBondContact O-N 2.89Å; E119-D121 VanDerWaalsContact C-N 3.33Å; E119-D121 PolarHBondContact O-N 3.16Å; E119-L122 PolarHBondContact O-N 2.93Å; E119-L123 HydrophobicContact CG-CD1 3.7Å; E119-L123 HydrophobicContact CG-CG 4.13Å; E119-L123 WeakPolarHBondContact O-CB 3.45Å; E119-L123 WeakPolarHBondContact O-CG 3.48Å; E119-L123 PolarHBondContact O-N 3.31Å
120S87.6Confident86Confident29 Ų2953.6 Ų53.620%0.20329%0.286CS..Hα-helixtrans-55.9-49.3174.9-152.60000111.2I116 D117 K118 L122 L123 E124I116-S120 PolarHBondContact O-N 2.78Å; I116-S120 VanDerWaalsContact O-N 3.08Å; D117-S120 WeakPolarHBondContact O-CB 3.43Å; D117-S120 PolarHBondContact O-N 2.74Å; D117-S120 VanDerWaalsContact O-N 3.09Å; K118-S120 VanDerWaalsContact C-N 3.28Å; S120-L122 VanDerWaalsContact C-N 3.31Å; S120-L122 PolarHBondContact O-N 3.49Å; S120-L123 PolarHBondContact O-N 3.21Å; S120-E124 PolarHBondContact O-N 2.95Å; S120-E124 VanDerWaalsContact O-N 3.1Å
121D86.1Confident86.5Confident126 Ų12656.7 Ų56.767%0.67430%0.303SS*.Hα-helixtrans-62.9-38.2-179.2-61.3-25.9000112D117 K118 E119D117-D121 PolarHBondContact O-N 3.49Å; K118-D121 PolarHBondContact O-N 3.21Å; E119-D121 VanDerWaalsContact C-N 3.33Å; E119-D121 PolarHBondContact O-N 3.16Å
122L84.6Confident86.6Confident75 Ų7556.2 Ų56.239%0.39330%0.295SS..Hα-helixtrans-72.6-31.2179.9-70.3172.2000113V57 M60 L105 K118 E119 S120 P125V57-L122 HydrophobicContact CG2-CB 4.22Å; V57-L122 HydrophobicContact CG2-CD1 4.06Å; M60-L122 VanDerWaalsContact CE-O 3.3Å; M60-L122 WeakPolarHBondContact CE-O 3.5Å; L105-L122 HydrophobicContact CD1-CD1 4.02Å; K118-L122 HydrophobicContact CG-CD1 4.41Å; K118-L122 WeakPolarHBondContact O-CG 3.28Å; K118-L122 PolarHBondContact O-N 3.23Å; E119-L122 PolarHBondContact O-N 2.93Å; S120-L122 VanDerWaalsContact C-N 3.31Å; S120-L122 PolarHBondContact O-N 3.49Å; L122-P125 WeakPolarHBondContact O-CD 3.37Å
123L87.1Confident86.9Confident2 Ų257.6 Ų57.61%0.0130%0.302CS..Hα-helixtrans-89.7-13.6-177.7-70.4-179.5000113.6G8 R9 V57 M60 F84 E119 S120 P125 L126 R127G8-L123 WeakPolarHBondContact O-CD1 3.35Å; R9-L123 HydrophobicContact CG-CD1 4.18Å; V57-L123 HydrophobicContact CB-CD2 4.43Å; M60-L123 HydrophobicContact SD-CD2 4.26Å; F84-L123 HydrophobicContact CE2-CB 4.06Å; F84-L123 HydrophobicContact CE2-CD1 4.46Å; F84-L123 HydrophobicContact CZ-CB 4.08Å; F84-L123 HydrophobicContact CZ-CD1 4.34Å; E119-L123 HydrophobicContact CG-CD1 3.7Å; E119-L123 HydrophobicContact CG-CG 4.13Å; E119-L123 WeakPolarHBondContact O-CB 3.45Å; E119-L123 WeakPolarHBondContact O-CG 3.48Å; E119-L123 PolarHBondContact O-N 3.31Å; S120-L123 PolarHBondContact O-N 3.21Å; L123-P125 VanDerWaalsContact C-N 3.31Å; L123-L126 HydrophobicContact CD2-CD1 4.45Å; L123-L126 PolarHBondContact O-N 2.8Å; L123-R127 PolarHBondContact O-N 3.4Å
124E86.3Confident87.2Confident91 Ų9153.5 Ų53.543%0.42528%0.284SS..Hα-helixtrans-51.6-40.1-180-167.160.5-157.900114.1S120 L126 R127 S128S120-E124 PolarHBondContact O-N 2.95Å; S120-E124 VanDerWaalsContact O-N 3.1Å; E124-L126 VanDerWaalsContact C-N 3.3Å; E124-L126 PolarHBondContact O-N 2.88Å; E124-R127 PolarHBondContact O-N 2.91Å; E124-R127 IonicContact OE2-NH1 2.75Å; E124-S128 PolarHBondContact O-N 2.99Å; E124-S128 PolarHBondContact O-OG 3.29Å
125P84.1Confident87.4Confident48 Ų4855.6 Ų55.631%0.31229%0.291SS..Hα-helixtrans-62.1-33.3175-2435.7000114L122 L123 S128 R129L122-P125 WeakPolarHBondContact O-CD 3.37Å; L123-P125 VanDerWaalsContact C-N 3.31Å; P125-S128 PolarHBondContact O-OG 3.06Å; P125-R129 WeakPolarHBondContact O-CG 3.46Å
126L83.6Confident87.7Confident3 Ų355.7 Ų55.72%0.01629%0.291CS..Hα-helixtrans-78.5-40.9174.6-77.4177.2000111.3S7 M60 F67 L82 L123 E124 S128 R129 A130S7-L126 WeakPolarHBondContact OG-CD1 3.21Å; M60-L126 HydrophobicContact CE-CB 4.36Å; M60-L126 HydrophobicContact CE-CD1 3.64Å; M60-L126 HydrophobicContact CE-CG 3.51Å; M60-L126 HydrophobicContact SD-CD1 3.35Å; M60-L126 WeakPolarHBondContact SD-CD1 3.19Å; M60-L126 HydrophobicContact SD-CG 3.96Å; F67-L126 HydrophobicContact CD1-CD2 4.31Å; F67-L126 HydrophobicContact CD2-CD2 3.83Å; F67-L126 HydrophobicContact CE1-CD2 4.17Å; F67-L126 HydrophobicContact CE2-CD2 3.69Å; F67-L126 HydrophobicContact CG-CD2 4.15Å; F67-L126 HydrophobicContact CZ-CD2 3.86Å; L82-L126 HydrophobicContact CD2-CD2 4.17Å; L82-L126 WeakPolarHBondContact CD2-O 3.36Å; L123-L126 HydrophobicContact CD2-CD1 4.45Å; L123-L126 PolarHBondContact O-N 2.8Å; E124-L126 VanDerWaalsContact C-N 3.3Å; E124-L126 PolarHBondContact O-N 2.88Å; L126-S128 VanDerWaalsContact C-N 3.29Å; L126-S128 PolarHBondContact O-N 3.2Å; L126-R129 CarbonylContact O-C 3.5Å; L126-R129 PolarHBondContact O-N 2.95Å; L126-R129 VanDerWaalsContact O-N 3.07Å; L126-A130 PolarHBondContact O-N 3.24Å; L126-A130 VanDerWaalsContact O-N 3.14Å
127R87Confident87.7Confident81 Ų8156 Ų5631%0.30629%0.294SS..Hα-helixtrans-57-44.4177.7-174-171.9-177.3164.514.5111.6F84 D86 L123 E124 R129 A130 I133F84-R127 HydrophobicContact CD1-CB 4.34Å; F84-R127 HydrophobicContact CD1-CG 3.98Å; F84-R127 HydrophobicContact CD2-CB 4.12Å; F84-R127 HydrophobicContact CE1-CB 4.1Å; F84-R127 HydrophobicContact CE1-CG 3.89Å; F84-R127 HydrophobicContact CE2-CB 3.87Å; F84-R127 HydrophobicContact CG-CB 4.34Å; F84-R127 HydrophobicContact CG-CG 4.33Å; F84-R127 HydrophobicContact CZ-CB 3.85Å; F84-R127 HydrophobicContact CZ-CG 4.17Å; D86-R127 IonicContact OD2-CZ 3.99Å; D86-R127 VanDerWaalsContact OD2-CZ 3.26Å; D86-R127 IonicContact OD2-NE 3.73Å; D86-R127 IonicContact OD2-NH1 3.24Å; D86-R127 IonicContact OD2-NH2 3.05Å; D86-R127 PolarHBondContact OD2-NH2 2.79Å; L123-R127 PolarHBondContact O-N 3.4Å; E124-R127 PolarHBondContact O-N 2.91Å; E124-R127 IonicContact OE2-NH1 2.75Å; R127-R129 PolarHBondContact O-N 2.92Å; R127-A130 WeakPolarHBondContact O-CB 3.48Å; R127-A130 PolarHBondContact O-N 2.95Å; R127-A130 VanDerWaalsContact O-N 3.16Å; R127-I133 HydrophobicContact CG-CD1 4.07Å
128S86.4Confident87.8Confident87 Ų8760.6 Ų60.661%0.60831%0.313SS*.THydrogen-bonded Turntrans-65.4-18.417960.60000114.3E124 P125 L126E124-S128 PolarHBondContact O-N 2.99Å; E124-S128 PolarHBondContact O-OG 3.29Å; P125-S128 PolarHBondContact O-OG 3.06Å; L126-S128 VanDerWaalsContact C-N 3.29Å; L126-S128 PolarHBondContact O-N 3.2Å
129R85.3Confident87.9Confident90 Ų9058.5 Ų58.534%0.3431%0.305SS..THydrogen-bonded Turntrans-1031177.9-63.4178.7-174.5174.72.2113P64 E68 L82 P125 L126 R127 D131P64-R129 PolarHBondContact O-NH1 3.03Å; P64-R129 VanDerWaalsContact O-NH1 3.12Å; E68-R129 WeakPolarHBondContact OE1-CD 3.37Å; E68-R129 IonicContact OE1-CZ 2.9Å; E68-R129 IonicContact OE1-NE 3.83Å; E68-R129 PolarHBondContact OE1-NE 2.96Å; E68-R129 IonicContact OE1-NH1 2.81Å; E68-R129 PolarHBondContact OE1-NH1 3.03Å; E68-R129 IonicContact OE1-NH2 3.58Å; L82-R129 HydrophobicContact CD2-CB 4.19Å; P125-R129 WeakPolarHBondContact O-CG 3.46Å; L126-R129 CarbonylContact O-C 3.5Å; L126-R129 PolarHBondContact O-N 2.95Å; L126-R129 VanDerWaalsContact O-N 3.07Å; R127-R129 PolarHBondContact O-N 2.92Å; R129-D131 PolarHBondContact O-N 2.9Å
130A87.6Confident87.9Confident20 Ų2061 Ų6117%0.16532%0.323CS..  trans-72.2129.2-175.700000111.1L82 F84 L126 R127 L132 I133L82-A130 HydrophobicContact CD2-CB 4.33Å; L82-A130 HydrophobicContact CG-CB 4.16Å; F84-A130 HydrophobicContact CB-CB 3.52Å; F84-A130 HydrophobicContact CG-CB 4.48Å; L126-A130 PolarHBondContact O-N 3.24Å; L126-A130 VanDerWaalsContact O-N 3.14Å; R127-A130 WeakPolarHBondContact O-CB 3.48Å; R127-A130 PolarHBondContact O-N 2.95Å; R127-A130 VanDerWaalsContact O-N 3.16Å; A130-L132 VanDerWaalsContact C-N 3.3Å; A130-I133 HydrophobicContact CB-CD1 4.46Å; A130-I133 HydrophobicContact CB-CG1 3.79Å
131D87Confident88Confident117 Ų11764 Ų6463%0.62634%0.339SS*.SBendtrans-69.8-33.6173.3-59.1-71.4000111.1Q81 L82 R129Q81-D131 WeakPolarHBondContact CA-OD2 3.43Å; L82-D131 PolarHBondContact N-OD2 3.39Å; L82-D131 PolarHBondContact O-N 2.82Å; R129-D131 PolarHBondContact O-N 2.9Å
132L88.5Confident88.1Confident54 Ų5465 Ų6528%0.28334%0.34SS..EExtended strand (participates in β ladder)trans-136.1120.6179.1-179.658000110.3L82 L83 F84 A130 V134L82-L132 PolarHBondContact O-N 3.49Å; L83-L132 HydrophobicContact CD1-CB 4.15Å; L83-L132 HydrophobicContact CD1-CD2 3.87Å; L83-L132 HydrophobicContact CD1-CG 3.86Å; F84-L132 PolarHBondContact N-O 2.81Å; A130-L132 VanDerWaalsContact C-N 3.3Å; L132-V134 HydrophobicContact CD1-CG2 4.41Å; L132-V134 HydrophobicContact CD2-CG2 4.27Å; L132-V134 HydrophobicContact CG-CG2 3.99Å
133I90.8Very high88.3Confident83 Ų8366.5 Ų66.543%0.42635%0.345SS..EExtended strand (participates in β ladder)trans-106.4125.5172.4-56.5174.2000108.1F84 R127 A130F84-I133 HydrophobicContact CB-CG1 4.32Å; F84-I133 HydrophobicContact CD1-CG2 4.36Å; F84-I133 WeakPolarHBondContact O-CA 3.25Å; R127-I133 HydrophobicContact CG-CD1 4.07Å; A130-I133 HydrophobicContact CB-CD1 4.46Å; A130-I133 HydrophobicContact CB-CG1 3.79Å
134V92Very high88.4Confident9 Ų966.7 Ų66.76%0.05535%0.345CS..EExtended strand (participates in β ladder)trans-117.5119.9179.1176.40000108.9L83 F84 L85 D86 L132 T136 M139 L144 M147L83-V134 HydrophobicContact CD1-CG2 3.7Å; F84-V134 PolarHBondContact O-N 3.27Å; L85-V134 HydrophobicContact CD2-CB 3.76Å; L85-V134 HydrophobicContact CD2-CG1 4.2Å; L85-V134 HydrophobicContact CD2-CG2 4.21Å; D86-V134 PolarHBondContact N-O 3.12Å; L132-V134 HydrophobicContact CD1-CG2 4.41Å; L132-V134 HydrophobicContact CD2-CG2 4.27Å; L132-V134 HydrophobicContact CG-CG2 3.99Å; V134-T136 HydrophobicContact CG1-CG2 3.87Å; V134-M139 HydrophobicContact CG1-SD 4.13Å; V134-L144 HydrophobicContact CG1-CD1 4.07Å; V134-M147 HydrophobicContact CB-CE 4.04Å; V134-M147 HydrophobicContact CG1-CE 3.3Å; V134-M147 HydrophobicContact CG2-CE 3.5Å; V134-M147 VanDerWaalsContact CG2-CE 3.5Å; V134-M147 HydrophobicContact CG2-SD 4.48Å
135D91.4Very high88.5Confident101 Ų10162.8 Ų62.854%0.5433%0.329SS..EExtended strand (participates in β ladder)trans-83116.2167.8-174.2-2000109.9S137 M139D135-S137 VanDerWaalsContact OD1-CB 3.25Å; D135-S137 WeakPolarHBondContact OD1-CB 3.49Å; D135-S137 PolarHBondContact OD1-N 2.95Å; D135-S137 PolarHBondContact OD1-OG 3.13Å; D135-M139 VanDerWaalsContact O-SD 3.33Å
136T92.5Very high88.6Confident1 Ų163.7 Ų63.71%0.00633%0.329CS..  trans-99.66.9-178.4680000113.3S12 L85 D86 R95 V134 E138 M139 L144S12-T136 VanDerWaalsContact O-CG2 3.25Å; S12-T136 WeakPolarHBondContact O-CG2 3.25Å; S12-T136 PolarHBondContact O-OG1 2.54Å; L85-T136 HydrophobicContact CD2-CG2 4.35Å; D86-T136 PolarHBondContact O-N 3.08Å; D86-T136 PolarHBondContact O-OG1 2.81Å; R95-T136 PolarHBondContact NH1-OG1 3.19Å; R95-T136 VanDerWaalsContact NH1-OG1 3.08Å; R95-T136 PolarHBondContact NH2-O 2.96Å; V134-T136 HydrophobicContact CG1-CG2 3.87Å; T136-E138 PolarHBondContact O-N 2.82Å; T136-M139 PolarHBondContact O-N 2.81Å; T136-M139 VanDerWaalsContact O-N 3.13Å; T136-L144 HydrophobicContact CG2-CD1 3.85Å; T136-L144 HydrophobicContact CG2-CD2 4.07Å
137S90.4Very high88.7Confident8 Ų865.6 Ų65.66%0.05634%0.338CS..THydrogen-bonded Turntrans-49.4-53.6-172.7-61.10000113.4A87 D88 T91 D135A87-S137 WeakPolarHBondContact CA-OG 3.47Å; D88-S137 PolarHBondContact N-OG 3.36Å; D88-S137 WeakPolarHBondContact OD2-CB 3.48Å; D88-S137 PolarHBondContact OD2-OG 2.69Å; T91-S137 WeakPolarHBondContact CG2-O 3.25Å; D135-S137 VanDerWaalsContact OD1-CB 3.25Å; D135-S137 WeakPolarHBondContact OD1-CB 3.49Å; D135-S137 PolarHBondContact OD1-N 2.95Å; D135-S137 PolarHBondContact OD1-OG 3.13Å
138E89.5Confident88.7Confident158 Ų15861.7 Ų61.774%0.73832%0.324SS*.THydrogen-bonded Turntrans-101.613.7-178.4-60.3-56.814200113T136T136-E138 PolarHBondContact O-N 2.82Å
139M90.3Very high88.6Confident46 Ų4660.9 Ų60.923%0.22731%0.307CS..  trans-96.2133.1-178.4-59.9-176.280.600111.3R95 V134 D135 T136 E143 L144 M147R95-M139 PolarHBondContact NH2-O 3.32Å; V134-M139 HydrophobicContact CG1-SD 4.13Å; D135-M139 VanDerWaalsContact O-SD 3.33Å; T136-M139 PolarHBondContact O-N 2.81Å; T136-M139 VanDerWaalsContact O-N 3.13Å; M139-E143 HydrophobicContact CB-CB 4.47Å; M139-E143 HydrophobicContact CE-CB 4.13Å; M139-L144 HydrophobicContact CE-CB 4.5Å; M139-M147 HydrophobicContact CE-CB 3.83Å; M139-M147 HydrophobicContact CE-CE 4.33Å; M139-M147 HydrophobicContact CE-CG 4.17Å
140S88.3Confident88.3Confident53 Ų5360 Ų6037%0.37131%0.312SS..  trans-70.6163.5162.968.80000111.4H142 E143 L144S140-H142 PolarHBondContact O-N 2.94Å; S140-E143 VanDerWaalsContact CB-OE2 3.27Å; S140-E143 WeakPolarHBondContact CB-OE2 3.28Å; S140-E143 PolarHBondContact N-OE2 2.97Å; S140-E143 PolarHBondContact O-N 3.49Å; S140-E143 WeakPolarHBondContact OG-CB 3.45Å; S140-E143 VanDerWaalsContact OG-CD 3.3Å; S140-E143 VanDerWaalsContact OG-CG 3.28Å; S140-E143 WeakPolarHBondContact OG-CG 3.18Å; S140-E143 PolarHBondContact OG-N 3.48Å; S140-E143 VanDerWaalsContact OG-N 3.17Å; S140-E143 PolarHBondContact OG-OE2 2.75Å; S140-L144 PolarHBondContact O-N 2.89Å
141V88.2Confident88Confident90 Ų9067.7 Ų67.755%0.54534%0.337SS..Hα-helixtrans-56.3-39.3174.7173.50000111.3V16 A145V16-V141 HydrophobicContact CB-CG1 4.33Å; V16-V141 HydrophobicContact CG1-CB 4.44Å; V16-V141 HydrophobicContact CG1-CG1 3.62Å; V16-V141 WeakPolarHBondContact CG1-O 3Å; V16-V141 HydrophobicContact CG2-CB 4.43Å; V16-V141 HydrophobicContact CG2-CG1 3.74Å; V16-V141 HydrophobicContact CG2-CG2 4.15Å; V141-A145 WeakPolarHBondContact O-CB 3.28Å; V141-A145 PolarHBondContact O-N 2.55Å; V141-A145 VanDerWaalsContact O-N 3.12Å
142H88.7Confident87.4Confident149 Ų14964.3 Ų64.369%0.6932%0.318SS*.Hα-helixtrans-70.8-44.2179.8-64.2-67.4000111.9S140 L144 A145 E146S140-H142 PolarHBondContact O-N 2.94Å; H142-L144 VanDerWaalsContact C-N 3.33Å; H142-L144 PolarHBondContact O-N 3.39Å; H142-A145 PolarHBondContact O-N 3.46Å; H142-E146 WeakPolarHBondContact O-CB 3.21Å; H142-E146 WeakPolarHBondContact O-CG 3.29Å; H142-E146 PolarHBondContact O-N 2.99Å
143E88.2Confident86.5Confident106 Ų10665 Ų6550%0.49532%0.322SS..Hα-helixtrans-63.5-39.7177-72.5161.5141.300111.8M139 S140 M147M139-E143 HydrophobicContact CB-CB 4.47Å; M139-E143 HydrophobicContact CE-CB 4.13Å; S140-E143 VanDerWaalsContact CB-OE2 3.27Å; S140-E143 WeakPolarHBondContact CB-OE2 3.28Å; S140-E143 PolarHBondContact N-OE2 2.97Å; S140-E143 PolarHBondContact O-N 3.49Å; S140-E143 WeakPolarHBondContact OG-CB 3.45Å; S140-E143 VanDerWaalsContact OG-CD 3.3Å; S140-E143 VanDerWaalsContact OG-CG 3.28Å; S140-E143 WeakPolarHBondContact OG-CG 3.18Å; S140-E143 PolarHBondContact OG-N 3.48Å; S140-E143 VanDerWaalsContact OG-N 3.17Å; S140-E143 PolarHBondContact OG-OE2 2.75Å; E143-M147 WeakPolarHBondContact O-CB 3.5Å; E143-M147 PolarHBondContact O-N 3.42Å
144L90.2Very high85.2Confident5 Ų563.6 Ų63.63%0.02633%0.328CS..Hα-helixtrans-61.8-47.6174.8177.458.9000111.2V16 L85 V134 T136 M139 S140 H142 M147 L148V16-L144 HydrophobicContact CB-CD2 4.11Å; V16-L144 HydrophobicContact CG1-CB 4.48Å; V16-L144 HydrophobicContact CG1-CD2 4.05Å; V16-L144 HydrophobicContact CG1-CG 4.36Å; L85-L144 HydrophobicContact CD2-CD1 4.21Å; V134-L144 HydrophobicContact CG1-CD1 4.07Å; T136-L144 HydrophobicContact CG2-CD1 3.85Å; T136-L144 HydrophobicContact CG2-CD2 4.07Å; M139-L144 HydrophobicContact CE-CB 4.5Å; S140-L144 PolarHBondContact O-N 2.89Å; H142-L144 VanDerWaalsContact C-N 3.33Å; H142-L144 PolarHBondContact O-N 3.39Å; L144-M147 HydrophobicContact CD1-CE 4Å; L144-M147 PolarHBondContact O-N 3.28Å; L144-L148 HydrophobicContact CD1-CD1 3.98Å; L144-L148 HydrophobicContact CD1-CG 4.1Å; L144-L148 HydrophobicContact CG-CD1 4.14Å; L144-L148 WeakPolarHBondContact O-CB 3.47Å; L144-L148 VanDerWaalsContact O-CG 3.28Å; L144-L148 WeakPolarHBondContact O-CG 3.12Å; L144-L148 PolarHBondContact O-N 2.84Å
145A88.8Confident83.1Confident10 Ų1071 Ų718%0.08336%0.36CS..Hα-helixtrans-61.8-46.4178.700000112A20 V141 H142 L148 R149A20-A145 HydrophobicContact CB-CB 4.02Å; V141-A145 WeakPolarHBondContact O-CB 3.28Å; V141-A145 PolarHBondContact O-N 2.55Å; V141-A145 VanDerWaalsContact O-N 3.12Å; H142-A145 PolarHBondContact O-N 3.46Å; A145-L148 PolarHBondContact O-N 3.45Å; A145-R149 WeakPolarHBondContact O-CB 3.47Å; A145-R149 VanDerWaalsContact O-CG 3.29Å; A145-R149 WeakPolarHBondContact O-CG 3.27Å; A145-R149 PolarHBondContact O-N 2.73Å
146E85.9Confident81Confident67 Ų6775.9 Ų75.931%0.31337%0.37SS..Hα-helixtrans-66.6-39178.4-74.7-59.8119.300112.6H142 R149 T150 R158H142-E146 WeakPolarHBondContact O-CB 3.21Å; H142-E146 WeakPolarHBondContact O-CG 3.29Å; H142-E146 PolarHBondContact O-N 2.99Å; E146-R149 PolarHBondContact O-N 2.75Å; E146-R149 IonicContact OE1-CZ 3.32Å; E146-R149 IonicContact OE1-NH1 3.54Å; E146-R149 PolarHBondContact OE1-NH1 3.3Å; E146-T150 WeakPolarHBondContact O-CB 3.5Å; E146-T150 PolarHBondContact O-N 3.41Å; E146-T150 PolarHBondContact O-OG1 3.42Å; E146-R158 IonicContact OE1-NH2 3.71Å
147M85.5Confident78.9Confident42 Ų4283.6 Ų83.621%0.20741%0.406CS..Hα-helixtrans-63.3-46.2175.7-176.8-74.7-67.500110.7V134 M139 E143 L144 R149 T150 R151V134-M147 HydrophobicContact CB-CE 4.04Å; V134-M147 HydrophobicContact CG1-CE 3.3Å; V134-M147 HydrophobicContact CG2-CE 3.5Å; V134-M147 VanDerWaalsContact CG2-CE 3.5Å; V134-M147 HydrophobicContact CG2-SD 4.48Å; M139-M147 HydrophobicContact CE-CB 3.83Å; M139-M147 HydrophobicContact CE-CE 4.33Å; M139-M147 HydrophobicContact CE-CG 4.17Å; E143-M147 WeakPolarHBondContact O-CB 3.5Å; E143-M147 PolarHBondContact O-N 3.42Å; L144-M147 HydrophobicContact CD1-CE 4Å; L144-M147 PolarHBondContact O-N 3.28Å; M147-R149 PolarHBondContact O-N 3.17Å; M147-T150 PolarHBondContact O-N 3Å; M147-R151 HydrophobicContact CG-CG 4.38Å; M147-R151 WeakPolarHBondContact O-CB 3.32Å; M147-R151 WeakPolarHBondContact O-CG 3.49Å; M147-R151 PolarHBondContact O-N 3.43Å; M147-R151 HydrophobicContact SD-CB 4.3Å; M147-R151 HydrophobicContact SD-CG 3.54Å; M147-R151 VanDerWaalsContact SD-CG 3.54Å
148L87.6Confident77Confident0 Ų092.8 Ų92.80%044%0.44CS..Hα-helixtrans-62.1-43.4176.5-70.9174.5000111.6A17 M24 L83 L144 A145 T150 R151 L152A17-L148 HydrophobicContact CB-CD1 3.42Å; A17-L148 VanDerWaalsContact CB-CD1 3.42Å; M24-L148 HydrophobicContact CE-CB 4.45Å; L83-L148 HydrophobicContact CD1-CD2 4.13Å; L83-L148 HydrophobicContact CD2-CD1 4.39Å; L83-L148 HydrophobicContact CD2-CD2 3.55Å; L144-L148 HydrophobicContact CD1-CD1 3.98Å; L144-L148 HydrophobicContact CD1-CG 4.1Å; L144-L148 HydrophobicContact CG-CD1 4.14Å; L144-L148 WeakPolarHBondContact O-CB 3.47Å; L144-L148 VanDerWaalsContact O-CG 3.28Å; L144-L148 WeakPolarHBondContact O-CG 3.12Å; L144-L148 PolarHBondContact O-N 2.84Å; A145-L148 PolarHBondContact O-N 3.45Å; L148-T150 PolarHBondContact O-N 3.31Å; L148-R151 PolarHBondContact O-N 2.88Å; L148-L152 HydrophobicContact CB-CD1 4.42Å; L148-L152 HydrophobicContact CD2-CD1 4.38Å; L148-L152 WeakPolarHBondContact O-CB 3.34Å; L148-L152 VanDerWaalsContact O-CG 3.28Å; L148-L152 WeakPolarHBondContact O-CG 3.34Å; L148-L152 PolarHBondContact O-N 2.76Å
149R83Confident75.4Confident70 Ų7093.5 Ų93.526%0.26444%0.443SS..Hα-helixtrans-57.3-50173.5-74.4173.7-175.9140.21.9111.5D23 M24 A145 E146 M147 R151 L153D23-R149 IonicContact OD2-NH2 2.67Å; D23-R149 PolarHBondContact OD2-NH2 3.23Å; M24-R149 HydrophobicContact CE-CG 3.99Å; M24-R149 HydrophobicContact CG-CG 4.06Å; M24-R149 HydrophobicContact SD-CB 4.21Å; M24-R149 HydrophobicContact SD-CG 3.74Å; A145-R149 WeakPolarHBondContact O-CB 3.47Å; A145-R149 VanDerWaalsContact O-CG 3.29Å; A145-R149 WeakPolarHBondContact O-CG 3.27Å; A145-R149 PolarHBondContact O-N 2.73Å; E146-R149 PolarHBondContact O-N 2.75Å; E146-R149 IonicContact OE1-CZ 3.32Å; E146-R149 IonicContact OE1-NH1 3.54Å; E146-R149 PolarHBondContact OE1-NH1 3.3Å; M147-R149 PolarHBondContact O-N 3.17Å; R149-R151 PolarHBondContact O-N 3.28Å; R149-L153 VanDerWaalsContact O-CB 3.32Å; R149-L153 WeakPolarHBondContact O-CB 3.32Å; R149-L153 PolarHBondContact O-N 2.86Å
150T80.2Confident74.2Confident71 Ų7197.9 Ų97.944%0.43647%0.467SS..Hα-helixtrans-62.8-42.2-177.7-56.50000112.1E146 M147 L148 G154 K155E146-T150 WeakPolarHBondContact O-CB 3.5Å; E146-T150 PolarHBondContact O-N 3.41Å; E146-T150 PolarHBondContact O-OG1 3.42Å; M147-T150 PolarHBondContact O-N 3Å; L148-T150 PolarHBondContact O-N 3.31Å; T150-G154 WeakPolarHBondContact O-CA 3.28Å; T150-G154 PolarHBondContact O-N 3.27Å; T150-K155 HydrophobicContact CG2-CG 4.35Å; T150-K155 PolarHBondContact O-N 2.87Å
151R80.1Confident73.3Confident182 Ų182101.1 Ų101.169%0.68749%0.485SS*.Hα-helixtrans-75.6-42.2-177.8-73.3-69.8-170.3169.41.2113M147 L148 R149M147-R151 HydrophobicContact CG-CG 4.38Å; M147-R151 WeakPolarHBondContact O-CB 3.32Å; M147-R151 WeakPolarHBondContact O-CG 3.49Å; M147-R151 PolarHBondContact O-N 3.43Å; M147-R151 HydrophobicContact SD-CB 4.3Å; M147-R151 HydrophobicContact SD-CG 3.54Å; M147-R151 VanDerWaalsContact SD-CG 3.54Å; L148-R151 PolarHBondContact O-N 2.88Å; R149-R151 PolarHBondContact O-N 3.28Å
152L76Confident72.8Confident45 Ų45102.4 Ų102.424%0.23649%0.486CS..Hα-helixtrans-88.5-38.3-171.9-62.6178000113.3M4 L21 M24 L148M4-L152 HydrophobicContact CE-CD1 4.01Å; M4-L152 HydrophobicContact CE-CD2 3.44Å; M4-L152 VanDerWaalsContact CE-CD2 3.44Å; M4-L152 HydrophobicContact CE-CG 4.34Å; M4-L152 HydrophobicContact SD-CD2 4.44Å; L21-L152 HydrophobicContact CD2-CD1 3.59Å; M24-L152 HydrophobicContact CE-CD1 4.33Å; L148-L152 HydrophobicContact CB-CD1 4.42Å; L148-L152 HydrophobicContact CD2-CD1 4.38Å; L148-L152 WeakPolarHBondContact O-CB 3.34Å; L148-L152 VanDerWaalsContact O-CG 3.28Å; L148-L152 WeakPolarHBondContact O-CG 3.34Å; L148-L152 PolarHBondContact O-N 2.76Å
153L69.4Low72.5Confident68 Ų68101.4 Ų101.436%0.35649%0.49SS..THydrogen-bonded Turntrans-83.1-4.6173.5-68.8170.9000112.7M24 R149M24-L153 HydrophobicContact CB-CD1 4.27Å; M24-L153 HydrophobicContact CG-CD1 3.59Å; M24-L153 HydrophobicContact CG-CG 4.12Å; M24-L153 HydrophobicContact SD-CD1 3.54Å; M24-L153 VanDerWaalsContact SD-CD1 3.54Å; M24-L153 HydrophobicContact SD-CD2 4.38Å; M24-L153 HydrophobicContact SD-CG 3.55Å; M24-L153 VanDerWaalsContact SD-CG 3.55Å; R149-L153 VanDerWaalsContact O-CB 3.32Å; R149-L153 WeakPolarHBondContact O-CB 3.32Å; R149-L153 PolarHBondContact O-N 2.86Å
154G62.5Low72.3Confident54 Ų54104.1 Ų104.156%0.55750%0.5SS*.THydrogen-bonded Turntrans52.475.9179.500000111.6T150 R156T150-G154 WeakPolarHBondContact O-CA 3.28Å; T150-G154 PolarHBondContact O-N 3.27Å; G154-R156 VanDerWaalsContact C-N 3.3Å; G154-R156 PolarHBondContact O-N 3.42Å; G154-R156 VanDerWaalsContact O-N 3.09Å
155K47.4Very low71.9Confident166 Ų166109.8 Ų109.872%0.72253%0.527SS*.  trans32.463.6-177.9-71.8-170.5176.8-172.30112.3T150 E157T150-K155 HydrophobicContact CG2-CG 4.35Å; T150-K155 PolarHBondContact O-N 2.87Å; K155-E157 PolarHBondContact O-N 3.33Å
156R48.2Very low71.7Confident203 Ų203115 Ų11577%0.76656%0.563SS**  trans-66.693.5142.3-78.6-172.1170.3-173.6-3.9103.5G154 R158G154-R156 VanDerWaalsContact C-N 3.3Å; G154-R156 PolarHBondContact O-N 3.42Å; G154-R156 VanDerWaalsContact O-N 3.09Å; R156-R158 PolarHBondContact O-N 3.41Å
157E48.8Very low71.7Confident162 Ų162114.8 Ų114.876%0.75756%0.561SS**  trans-36.9122160-70.7179.7164.100105K155 E159K155-E157 PolarHBondContact O-N 3.33Å; E157-E159 VanDerWaalsContact C-N 3.3Å; E157-E159 PolarHBondContact O-N 2.91Å
158R50.5Low71.7Confident201 Ų201114.2 Ų114.276%0.75857%0.566SS**  trans-47108.5172.2-90.1178.4167.9176.9-0.3104.9E146 R156 L160E146-R158 IonicContact OE1-NH2 3.71Å; R156-R158 PolarHBondContact O-N 3.41Å; R158-L160 VanDerWaalsContact C-N 3.33Å; R158-L160 PolarHBondContact O-N 3.09Å
159E54.9Low71.6Confident174 Ų174118.5 Ų118.581%0.81359%0.585SS**  trans-60.2108.6175-74.3-179175.200104.2E157 T161E157-E159 VanDerWaalsContact C-N 3.3Å; E157-E159 PolarHBondContact O-N 2.91Å; E159-T161 VanDerWaalsContact C-N 3.32Å; E159-T161 PolarHBondContact O-N 3.27Å; E159-T161 PolarHBondContact O-OG1 2.82Å
160L65.9Low71.7Confident138 Ų138123.9 Ų123.972%0.72361%0.61SS**  trans-61.4102.2-179.8175.567.4000106.2R158 M162R158-L160 VanDerWaalsContact C-N 3.33Å; R158-L160 PolarHBondContact O-N 3.09Å; L160-M162 HydrophobicContact CD1-CG 4.45Å; L160-M162 HydrophobicContact CD2-CE 3.83Å; L160-M162 HydrophobicContact CD2-CG 4.02Å; L160-M162 HydrophobicContact CD2-SD 3.76Å; L160-M162 HydrophobicContact CG-CE 4.37Å; L160-M162 HydrophobicContact CG-CG 3.88Å; L160-M162 HydrophobicContact CG-SD 4.3Å; L160-M162 PolarHBondContact O-N 2.74Å
161T68.6Low72.2Confident121 Ų121127.7 Ų127.774%0.74262%0.623SS**  trans-85.2100.2178.2-57.40000107E159E159-T161 VanDerWaalsContact C-N 3.32Å; E159-T161 PolarHBondContact O-N 3.27Å; E159-T161 PolarHBondContact O-OG1 2.82Å
162M78.6Confident72.6Confident116 Ų116120.9 Ų120.957%0.57161%0.609SS**PPolyproline II helixtrans-96.5130.8171-68.9178.3-70.200109L160 F164L160-M162 HydrophobicContact CD1-CG 4.45Å; L160-M162 HydrophobicContact CD2-CE 3.83Å; L160-M162 HydrophobicContact CD2-CG 4.02Å; L160-M162 HydrophobicContact CD2-SD 3.76Å; L160-M162 HydrophobicContact CG-CE 4.37Å; L160-M162 HydrophobicContact CG-CG 3.88Å; L160-M162 HydrophobicContact CG-SD 4.3Å; L160-M162 PolarHBondContact O-N 2.74Å; M162-F164 HydrophobicContact CB-CD2 4.3Å; M162-F164 HydrophobicContact CB-CE2 3.69Å; M162-F164 HydrophobicContact CB-CZ 4.23Å; M162-F164 HydrophobicContact CE-CE2 4.44Å; M162-F164 HydrophobicContact CE-CZ 4.45Å; M162-F164 HydrophobicContact SD-CE2 4.5Å; M162-F164 HydrophobicContact SD-CZ 4.23Å
163V81.9Confident73.2Confident129 Ų129123.1 Ų123.178%0.78262%0.62SS**PPolyproline II helixtrans-102.5119.4170.5-178.70000107.3
164F83.8Confident74.1Confident162 Ų162121 Ų12171%0.71161%0.61SS**PPolyproline II helixtrans-98.4121.2173.8-68-90.8000108.8M162M162-F164 HydrophobicContact CB-CD2 4.3Å; M162-F164 HydrophobicContact CB-CE2 3.69Å; M162-F164 HydrophobicContact CB-CZ 4.23Å; M162-F164 HydrophobicContact CE-CE2 4.44Å; M162-F164 HydrophobicContact CE-CZ 4.45Å; M162-F164 HydrophobicContact SD-CE2 4.5Å; M162-F164 HydrophobicContact SD-CZ 4.23Å
165E82.3Confident75.3Confident124 Ų124126.9 Ų126.958%0.57963%0.627SS**  trans-119127.2175.9-175.1176.5-170.200109.7
166S83.8Confident77.3Confident120 Ų120124.8 Ų124.884%0.83962%0.624SS**  trans-94.1129.7168.459.70000109.6
167F86.7Confident79Confident62 Ų62117 Ų11727%0.27260%0.603SS.*  trans-134.3164179.173.3-82.7000110.7F169 G172 I173 P174 V180F167-F169 HydrophobicContact CE2-CD1 4.22Å; F167-F169 HydrophobicContact CE2-CE1 4.33Å; F167-F169 HydrophobicContact CE2-CG 4.38Å; F167-F169 HydrophobicContact CZ-CE1 4.39Å; F167-F169 HydrophobicContact CZ-CZ 4.41Å; F167-G172 WeakPolarHBondContact CD2-O 3.21Å; F167-I173 HydrophobicContact CE2-CB 4.33Å; F167-I173 HydrophobicContact CE2-CG1 4Å; F167-I173 HydrophobicContact CZ-CB 4.45Å; F167-I173 HydrophobicContact CZ-CG1 4.14Å; F167-I173 HydrophobicContact CZ-CG2 4.3Å; F167-P174 HydrophobicContact CB-CG 4.16Å; F167-P174 HydrophobicContact CD1-CG 3.93Å; F167-P174 HydrophobicContact CG-CG 4Å; F167-V180 HydrophobicContact CE1-CG1 4Å; F167-V180 HydrophobicContact CZ-CG1 3.71Å
168G85.8Confident80.7Confident30 Ų30116.7 Ų116.731%0.30961%0.607SS.*  trans-107.6130171.500000110.5K170 H171G168-K170 PolarHBondContact O-N 2.85Å; G168-H171 WeakPolarHBondContact O-CB 3.42Å; G168-H171 PolarHBondContact O-N 3.05Å
169F84.3Confident82.4Confident91 Ų91116 Ų11640%0.39961%0.606SS.*G310 helixtrans-51-28.9179.9-78.9-82.3000114.8F167 H171 G172 I173 D182 R184F167-F169 HydrophobicContact CE2-CD1 4.22Å; F167-F169 HydrophobicContact CE2-CE1 4.33Å; F167-F169 HydrophobicContact CE2-CG 4.38Å; F167-F169 HydrophobicContact CZ-CE1 4.39Å; F167-F169 HydrophobicContact CZ-CZ 4.41Å; F169-H171 PolarHBondContact O-N 3.26Å; F169-H171 VanDerWaalsContact O-N 3.17Å; F169-G172 PolarHBondContact O-N 3.37Å; F169-I173 HydrophobicContact CD1-CG1 4.5Å; F169-I173 HydrophobicContact CE1-CD1 4.49Å; F169-I173 HydrophobicContact CE1-CG1 4.37Å; F169-D182 HydrophobicContact CZ-CB 4.28Å; F169-R184 HydrophobicContact CE2-CG 4.5Å
170K86.9Confident83.8Confident182 Ų182110.9 Ų110.979%0.79159%0.586SS**G310 helixtrans-61.5-19.517471.1-175.8-176.8-173.20114.2G168G168-K170 PolarHBondContact O-N 2.85Å
171H89.1Confident84.5Confident152 Ų152108.7 Ų108.770%0.70457%0.571SS**G310 helixtrans-98.2-0.3176.9-60.7-59.7000112.8G168 F169G168-H171 WeakPolarHBondContact O-CB 3.42Å; G168-H171 PolarHBondContact O-N 3.05Å; F169-H171 PolarHBondContact O-N 3.26Å; F169-H171 VanDerWaalsContact O-N 3.17Å
172G88.7Confident85.1Confident38 Ų38104.9 Ų104.939%0.39255%0.545SS..  trans84.8166.1-17200000112.7F167 F169F167-G172 WeakPolarHBondContact CD2-O 3.21Å; F169-G172 PolarHBondContact O-N 3.37Å
173I89.2Confident85Confident93 Ų93102.8 Ų102.848%0.47754%0.539SS..  trans-80.2136.6173.9-59174000108.2F167 F169 I175 V180F167-I173 HydrophobicContact CE2-CB 4.33Å; F167-I173 HydrophobicContact CE2-CG1 4Å; F167-I173 HydrophobicContact CZ-CB 4.45Å; F167-I173 HydrophobicContact CZ-CG1 4.14Å; F167-I173 HydrophobicContact CZ-CG2 4.3Å; F169-I173 HydrophobicContact CD1-CG1 4.5Å; F169-I173 HydrophobicContact CE1-CD1 4.49Å; F169-I173 HydrophobicContact CE1-CG1 4.37Å; I173-I175 PolarHBondContact O-N 2.81Å; I173-V180 HydrophobicContact CG2-CG2 3.58Å
174P88.2Confident84.7Confident24 Ų24103.7 Ų103.716%0.15653%0.529CS..  trans-54.7132.3171.8-23.533000111.2F167 D176 A177F167-P174 HydrophobicContact CB-CG 4.16Å; F167-P174 HydrophobicContact CD1-CG 3.93Å; F167-P174 HydrophobicContact CG-CG 4Å; P174-D176 PolarHBondContact O-N 3.17Å; P174-A177 HydrophobicContact CB-CB 4.17Å; P174-A177 PolarHBondContact O-N 3.02Å
175I87.8Confident84.1Confident177 Ų17797.6 Ų97.691%0.90850%0.502SS*.THydrogen-bonded Turntrans-72.5-18.1-173.656.7169.5000113.3I173I173-I175 PolarHBondContact O-N 2.81Å
176D88.2Confident83.8Confident121 Ų12193.7 Ų93.765%0.64748%0.484SS*.THydrogen-bonded Turntrans-104.16.7-178.757.7-29.6000112.8P174 D178P174-D176 PolarHBondContact O-N 3.17Å; D176-D178 PolarHBondContact O-N 2.97Å
177A85.6Confident83.4Confident41 Ų4190.1 Ų90.134%0.33946%0.458SS..  trans-74.9119.2174.600000111.4P174 V180P174-A177 HydrophobicContact CB-CB 4.17Å; P174-A177 PolarHBondContact O-N 3.02Å; A177-V180 HydrophobicContact CB-CG2 4.1Å
178D83.8Confident83.2Confident155 Ų15591 Ų9183%0.82947%0.466SS*.SBendtrans-73.8-35.8171.4-64.9-63.1000112.2D176D176-D178 PolarHBondContact O-N 2.97Å
179Y85.2Confident83.1Confident187 Ų18790.7 Ų90.773%0.73346%0.459SS*.  trans-131.8139.7178.5-67.9-81.5000110.6
180V84.4Confident82.9Confident65 Ų6589.9 Ų89.939%0.39446%0.456SS..  trans-123.5117.9177.61790000108.7F167 I173 A177F167-V180 HydrophobicContact CE1-CG1 4Å; F167-V180 HydrophobicContact CZ-CG1 3.71Å; I173-V180 HydrophobicContact CG2-CG2 3.58Å; A177-V180 HydrophobicContact CB-CG2 4.1Å
181F81.2Confident82.8Confident93 Ų9390.9 Ų90.941%0.40846%0.455SS..  trans-102.7115.7176.9-58.1-83.7000109.2I236 L239F181-I236 HydrophobicContact CE1-CG2 4.32Å; F181-L239 HydrophobicContact CB-CD1 3.88Å; F181-L239 HydrophobicContact CD1-CD1 3.85Å; F181-L239 HydrophobicContact CG-CD1 4.37Å
182D81.7Confident82.6Confident40 Ų4086 Ų8621%0.21443%0.434CS..  trans-85120.2173.9-165.8-15.1000109.8F169 R184 F185F169-D182 HydrophobicContact CZ-CB 4.28Å; D182-R184 WeakPolarHBondContact OD1-CB 3.47Å; D182-R184 VanDerWaalsContact OD1-CG 3.25Å; D182-R184 WeakPolarHBondContact OD1-CG 3.32Å; D182-R184 IonicContact OD1-CZ 3.02Å; D182-R184 PolarHBondContact OD1-N 2.75Å; D182-R184 IonicContact OD1-NE 3.88Å; D182-R184 PolarHBondContact OD1-NE 2.89Å; D182-R184 IonicContact OD2-CZ 3.57Å; D182-R184 VanDerWaalsContact OD2-CZ 3.24Å; D182-R184 IonicContact OD2-NE 2.89Å; D182-R184 PolarHBondContact OD2-NE 2.86Å; D182-R184 IonicContact OD2-NH2 3.63Å; D182-R184 PolarHBondContact OD2-NH2 3.44Å; D182-F185 WeakPolarHBondContact O-CD1 3.37Å; D182-F185 VanDerWaalsContact O-CE1 3.23Å; D182-F185 WeakPolarHBondContact O-CE1 3.3Å
183V75.7Confident82.6Confident72 Ų7289.5 Ų89.544%0.43645%0.45SS..  trans-117.317.6-178.3-61.80000112.4F185 L186 V235V183-F185 PolarHBondContact O-N 2.96Å; V183-L186 HydrophobicContact CB-CD1 3.97Å; V183-L186 HydrophobicContact CB-CG 4.34Å; V183-L186 HydrophobicContact CG1-CD1 4.37Å; V183-L186 WeakPolarHBondContact O-CB 3.39Å; V183-L186 PolarHBondContact O-N 3.06Å; V183-V235 HydrophobicContact CG1-CG1 3.96Å
184R76.1Confident82.7Confident149 Ų14993.2 Ų93.256%0.56246%0.462SS*.THydrogen-bonded Turntrans-63.1-24-179.4-73.6179.7-65.7144.7-1113.9F169 D182 L186F169-R184 HydrophobicContact CE2-CG 4.5Å; D182-R184 WeakPolarHBondContact OD1-CB 3.47Å; D182-R184 VanDerWaalsContact OD1-CG 3.25Å; D182-R184 WeakPolarHBondContact OD1-CG 3.32Å; D182-R184 IonicContact OD1-CZ 3.02Å; D182-R184 PolarHBondContact OD1-N 2.75Å; D182-R184 IonicContact OD1-NE 3.88Å; D182-R184 PolarHBondContact OD1-NE 2.89Å; D182-R184 IonicContact OD2-CZ 3.57Å; D182-R184 VanDerWaalsContact OD2-CZ 3.24Å; D182-R184 IonicContact OD2-NE 2.89Å; D182-R184 PolarHBondContact OD2-NE 2.86Å; D182-R184 IonicContact OD2-NH2 3.63Å; D182-R184 PolarHBondContact OD2-NH2 3.44Å; R184-L186 PolarHBondContact O-N 3.03Å
185F70.4Confident82.6Confident33 Ų3392.7 Ų92.715%0.14546%0.458CS..THydrogen-bonded Turntrans-68.6-12173.973.9-97.6000113.4D182 V183 V235 L238 L239 F273D182-F185 WeakPolarHBondContact O-CD1 3.37Å; D182-F185 VanDerWaalsContact O-CE1 3.23Å; D182-F185 WeakPolarHBondContact O-CE1 3.3Å; V183-F185 PolarHBondContact O-N 2.96Å; F185-V235 HydrophobicContact CE1-CG1 4.06Å; F185-V235 HydrophobicContact CE2-CG1 4.39Å; F185-V235 HydrophobicContact CZ-CB 4.26Å; F185-V235 HydrophobicContact CZ-CG1 3.49Å; F185-V235 VanDerWaalsContact CZ-CG1 3.49Å; F185-V235 HydrophobicContact CZ-CG2 4.4Å; F185-L238 HydrophobicContact CE2-CD1 4.38Å; F185-L239 HydrophobicContact CE1-CD2 4.1Å; F185-L239 HydrophobicContact CE1-CG 4.32Å; F185-F273 HydrophobicContact CB-CB 3.56Å; F185-F273 HydrophobicContact CB-CD1 4.01Å; F185-F273 HydrophobicContact CB-CD2 4.38Å; F185-F273 HydrophobicContact CB-CG 3.76Å; F185-F273 AromaticContact CD2-CD1 3.68Å; F185-F273 HydrophobicContact CD2-CD1 3.68Å; F185-F273 HydrophobicContact CD2-CE1 4.01Å; F185-F273 HydrophobicContact CD2-CG 4.31Å; F185-F273 HydrophobicContact CE2-CE1 4.46Å; F185-F273 HydrophobicContact CG-CD1 4.22Å; F185-F273 HydrophobicContact CG-CG 4.42Å
186L76.7Confident82.6Confident42 Ų4291.5 Ų91.522%0.2244%0.442CS..SBendtrans-82.5145.1174.8-63.1-178.7000111.1V183 R184 N188 V235V183-L186 HydrophobicContact CB-CD1 3.97Å; V183-L186 HydrophobicContact CB-CG 4.34Å; V183-L186 HydrophobicContact CG1-CD1 4.37Å; V183-L186 WeakPolarHBondContact O-CB 3.39Å; V183-L186 PolarHBondContact O-N 3.06Å; R184-L186 PolarHBondContact O-N 3.03Å; L186-N188 PolarHBondContact O-N 3.27Å; L186-V235 HydrophobicContact CD1-CG1 4.3Å; L186-V235 HydrophobicContact CD1-CG2 4.04Å; L186-V235 HydrophobicContact CD2-CG2 3.93Å
187P76.4Confident82.7Confident45 Ų4591.1 Ų91.129%0.29245%0.446SS..PPolyproline II helixtrans-60.4124.4175.323.6-31000109.6P189 F208 H212P187-P189 VanDerWaalsContact O-CD 3.27Å; P187-P189 WeakPolarHBondContact O-CD 3.14Å; P187-F208 HydrophobicContact CB-CE1 3.98Å; P187-F208 HydrophobicContact CB-CZ 4.21Å; P187-F208 HydrophobicContact CG-CE1 4.23Å; P187-F208 WeakPolarHBondContact O-CE1 3.31Å; P187-H212 HydrophobicContact CG-CB 3.64Å
188N82Confident82.8Confident82 Ų8292.9 Ų92.944%0.43945%0.449SS..PPolyproline II helixtrans-81116.5-175.2-173.1-19000111.1L186 H190 W191L186-N188 PolarHBondContact O-N 3.27Å; N188-H190 PolarHBondContact O-N 3.05Å; N188-H190 WeakPolarHBondContact OD1-CB 3.25Å; N188-H190 PolarHBondContact OD1-N 3.05Å; N188-W191 PolarHBondContact O-N 2.67Å; N188-W191 VanDerWaalsContact O-N 3.17Å
189P82.6Confident82.8Confident23 Ų2389.3 Ų89.315%0.14943%0.432CS..G310 helixtrans-59.6-22.3179.7-2131.9000113.7P187 W191 D192 L195 V205 F208 L209P187-P189 VanDerWaalsContact O-CD 3.27Å; P187-P189 WeakPolarHBondContact O-CD 3.14Å; P189-W191 PolarHBondContact O-N 3.32Å; P189-W191 VanDerWaalsContact O-N 3.17Å; P189-D192 PolarHBondContact O-N 3.02Å; P189-D192 VanDerWaalsContact O-N 3.09Å; P189-L195 HydrophobicContact CB-CB 4.32Å; P189-L195 HydrophobicContact CB-CD1 4.14Å; P189-L195 WeakPolarHBondContact O-CB 3.49Å; P189-V205 HydrophobicContact CB-CG1 4.02Å; P189-V205 HydrophobicContact CG-CG1 3.85Å; P189-F208 HydrophobicContact CB-CD1 4.01Å; P189-F208 HydrophobicContact CB-CE1 4.26Å; P189-F208 HydrophobicContact CG-CD1 3.76Å; P189-F208 HydrophobicContact CG-CE1 4.05Å; P189-L209 HydrophobicContact CG-CD2 4.11Å; P189-L209 HydrophobicContact CG-CG 4.27Å
190H81.3Confident82.3Confident74 Ų7483.4 Ų83.434%0.34343%0.428SS..G310 helixtrans-61.4-23179.3-179.6-87.5000113.4N188 D192 R196N188-H190 PolarHBondContact O-N 3.05Å; N188-H190 WeakPolarHBondContact OD1-CB 3.25Å; N188-H190 PolarHBondContact OD1-N 3.05Å; H190-D192 VanDerWaalsContact C-N 3.35Å; H190-R196 VanDerWaalsContact CE1-CZ 3.42Å; H190-R196 PolarHBondContact CE1-NE 3.02Å; H190-R196 VanDerWaalsContact CE1-NE 3.27Å; H190-R196 PolarHBondContact CE1-NH2 3.09Å; H190-R196 VanDerWaalsContact CE1-NH2 3.32Å; H190-R196 PolarHBondContact NE2-NE 3.16Å
191W83.9Confident82Confident202 Ų20288.3 Ų88.377%0.76545%0.452SS*.G310 helixtrans-76-19.9176.7-61.5126.7000113.6N188 P189 P193N188-W191 PolarHBondContact O-N 2.67Å; N188-W191 VanDerWaalsContact O-N 3.17Å; P189-W191 PolarHBondContact O-N 3.32Å; P189-W191 VanDerWaalsContact O-N 3.17Å; W191-P193 VanDerWaalsContact O-CD 3.3Å; W191-P193 WeakPolarHBondContact O-CD 3.39Å
192D84.7Confident81.9Confident50 Ų5086.9 Ų86.927%0.26745%0.448SS..SBendtrans-80114.9168.8-175.6-17.6000109.3P189 H190 K194 L195 R196P189-D192 PolarHBondContact O-N 3.02Å; P189-D192 VanDerWaalsContact O-N 3.09Å; H190-D192 VanDerWaalsContact C-N 3.35Å; D192-K194 PolarHBondContact O-N 3.19Å; D192-K194 WeakPolarHBondContact OD1-CB 3.23Å; D192-K194 PolarHBondContact OD1-N 2.88Å; D192-L195 HydrophobicContact CB-CB 4.12Å; D192-L195 HydrophobicContact CB-CD1 3.99Å; D192-L195 HydrophobicContact CB-CG 4.02Å; D192-L195 PolarHBondContact O-N 2.98Å; D192-R196 PolarHBondContact O-N 2.88Å
193P89.6Confident82.2Confident111 Ų11193.6 Ų93.672%0.72148%0.476SS*.THydrogen-bonded Turntrans-55-26.4179.2-2535000114.2W191W191-P193 VanDerWaalsContact O-CD 3.3Å; W191-P193 WeakPolarHBondContact O-CD 3.39Å
194K90.2Very high82.5Confident171 Ų17192.9 Ų92.974%0.74347%0.472SS*.THydrogen-bonded Turntrans-77.4-30.2178.7-62.4177.9-177.1172.90112.8D192D192-K194 PolarHBondContact O-N 3.19Å; D192-K194 WeakPolarHBondContact OD1-CB 3.23Å; D192-K194 PolarHBondContact OD1-N 2.88Å
195L88Confident82.6Confident13 Ų1386.1 Ų86.17%0.06845%0.448CS..THydrogen-bonded Turntrans-94.6-19.4-178-60.1179.3000112.6P189 D192 P197 M198 P204 V205 F208P189-L195 HydrophobicContact CB-CB 4.32Å; P189-L195 HydrophobicContact CB-CD1 4.14Å; P189-L195 WeakPolarHBondContact O-CB 3.49Å; D192-L195 HydrophobicContact CB-CB 4.12Å; D192-L195 HydrophobicContact CB-CD1 3.99Å; D192-L195 HydrophobicContact CB-CG 4.02Å; D192-L195 PolarHBondContact O-N 2.98Å; L195-P197 VanDerWaalsContact C-N 3.34Å; L195-M198 HydrophobicContact CD2-SD 3.94Å; L195-M198 WeakPolarHBondContact O-CA 3.43Å; L195-M198 VanDerWaalsContact O-CB 3.3Å; L195-M198 WeakPolarHBondContact O-CB 3.49Å; L195-M198 PolarHBondContact O-N 2.99Å; L195-P204 HydrophobicContact CD2-CB 3.67Å; L195-V205 HydrophobicContact CB-CG2 4.43Å; L195-V205 HydrophobicContact CD2-CG2 4.27Å; L195-F208 HydrophobicContact CD1-CB 3.51Å; L195-F208 HydrophobicContact CD1-CD1 4.39Å; L195-F208 HydrophobicContact CD1-CD2 3.45Å; L195-F208 VanDerWaalsContact CD1-CD2 3.45Å; L195-F208 HydrophobicContact CD1-CE2 4.26Å; L195-F208 HydrophobicContact CD1-CG 3.53Å
196R86.6Confident82.9Confident152 Ų15286.3 Ų86.357%0.57446%0.456SS*.THydrogen-bonded Turntrans-48-39.2179.3-164.2173.6-175166-0.1116.6H190 D192 M198H190-R196 VanDerWaalsContact CE1-CZ 3.42Å; H190-R196 PolarHBondContact CE1-NE 3.02Å; H190-R196 VanDerWaalsContact CE1-NE 3.27Å; H190-R196 PolarHBondContact CE1-NH2 3.09Å; H190-R196 VanDerWaalsContact CE1-NH2 3.32Å; H190-R196 PolarHBondContact NE2-NE 3.16Å; D192-R196 PolarHBondContact O-N 2.88Å; R196-M198 VanDerWaalsContact C-N 3.3Å
197P90.9Very high82.8Confident113 Ų11385.9 Ų85.973%0.73446%0.458SS*.THydrogen-bonded Turntrans-82.8-3.5176.832.8-34.7000114L195L195-P197 VanDerWaalsContact C-N 3.34Å
198M88.2Confident82.9Confident78 Ų7885.2 Ų85.238%0.38445%0.45SS..  trans-95.5166.8-177.1-62180163.300111.7L195 R196 D202 P204 V205L195-M198 HydrophobicContact CD2-SD 3.94Å; L195-M198 WeakPolarHBondContact O-CA 3.43Å; L195-M198 VanDerWaalsContact O-CB 3.3Å; L195-M198 WeakPolarHBondContact O-CB 3.49Å; L195-M198 PolarHBondContact O-N 2.99Å; R196-M198 VanDerWaalsContact C-N 3.3Å; M198-D202 HydrophobicContact CB-CB 4Å; M198-D202 HydrophobicContact CG-CB 4.4Å; M198-D202 HydrophobicContact SD-CB 4.39Å; M198-P204 HydrophobicContact CE-CB 4.48Å; M198-P204 HydrophobicContact CE-CG 4.04Å; M198-P204 HydrophobicContact SD-CB 3.82Å; M198-P204 HydrophobicContact SD-CG 3.88Å; M198-V205 HydrophobicContact CB-CG2 3.51Å; M198-V205 HydrophobicContact SD-CG2 4.41Å
199T83.4Confident82.3Confident80 Ų8083.9 Ų83.949%0.49144%0.443SS..  trans-115.6167.9179.368.70000111L201 D202 V205T199-L201 PolarHBondContact O-N 3.09Å; T199-L201 PolarHBondContact OG1-N 3.06Å; T199-D202 PolarHBondContact N-OD2 3.17Å; T199-D202 WeakPolarHBondContact O-CB 3.35Å; T199-D202 PolarHBondContact O-N 2.95Å; T199-D202 PolarHBondContact OG1-OD2 3.18Å; T199-V205 WeakPolarHBondContact O-CB 3.42Å; T199-V205 VanDerWaalsContact O-CG2 3.32Å; T199-V205 WeakPolarHBondContact O-CG2 3.27Å
200G74.5Confident81.6Confident63 Ų6386.6 Ų86.665%0.64946%0.457SS*.THydrogen-bonded Turntrans-61.6-12.6175.200000115D202G200-D202 VanDerWaalsContact C-N 3.34Å
201L77.3Confident80.9Confident168 Ų16890.4 Ų90.488%0.8847%0.468SS*.THydrogen-bonded Turntrans-82-15.9173.7-60.1175.5000112.5T199T199-L201 PolarHBondContact O-N 3.09Å; T199-L201 PolarHBondContact OG1-N 3.06Å
202D80.8Confident79.8Confident63 Ų6386 Ų8634%0.33746%0.456SS..SBendtrans-81.8126.2-178.3-65.9-67.7000110.5M198 T199 G200 P204 V205 A206M198-D202 HydrophobicContact CB-CB 4Å; M198-D202 HydrophobicContact CG-CB 4.4Å; M198-D202 HydrophobicContact SD-CB 4.39Å; T199-D202 PolarHBondContact N-OD2 3.17Å; T199-D202 WeakPolarHBondContact O-CB 3.35Å; T199-D202 PolarHBondContact O-N 2.95Å; T199-D202 PolarHBondContact OG1-OD2 3.18Å; G200-D202 VanDerWaalsContact C-N 3.34Å; D202-P204 VanDerWaalsContact C-N 3.28Å; D202-P204 VanDerWaalsContact O-N 3.1Å; D202-V205 HydrophobicContact CB-CG2 4.34Å; D202-V205 WeakPolarHBondContact O-CB 3.29Å; D202-V205 PolarHBondContact O-N 3.17Å; D202-A206 PolarHBondContact O-N 3.16Å
203K86.1Confident78.3Confident181 Ų18186.1 Ų86.179%0.78746%0.458SS*.Hα-helixtrans-48.4-39-179-64.5-175.8178.6-175.50114.7V205 A206 A207K203-V205 VanDerWaalsContact C-N 3.29Å; K203-V205 PolarHBondContact O-N 3.02Å; K203-A206 PolarHBondContact O-N 3.3Å; K203-A207 VanDerWaalsContact O-CB 3.31Å; K203-A207 WeakPolarHBondContact O-CB 3.23Å; K203-A207 PolarHBondContact O-N 3.23Å
204P83.7Confident76.7Confident57 Ų5787.6 Ų87.637%0.3746%0.455SS..Hα-helixtrans-64.7-30177.2-24.136.6000114.1L195 M198 D202 F208L195-P204 HydrophobicContact CD2-CB 3.67Å; M198-P204 HydrophobicContact CE-CB 4.48Å; M198-P204 HydrophobicContact CE-CG 4.04Å; M198-P204 HydrophobicContact SD-CB 3.82Å; M198-P204 HydrophobicContact SD-CG 3.88Å; D202-P204 VanDerWaalsContact C-N 3.28Å; D202-P204 VanDerWaalsContact O-N 3.1Å; P204-F208 WeakPolarHBondContact O-CB 3.13Å; P204-F208 PolarHBondContact O-N 3.11Å
205V78.5Confident75.3Confident8 Ų882.1 Ų82.15%0.04845%0.447CS..Hα-helixtrans-75.5-44.6176.6179.50000110.1P189 L195 M198 T199 D202 K203 F208 L209P189-V205 HydrophobicContact CB-CG1 4.02Å; P189-V205 HydrophobicContact CG-CG1 3.85Å; L195-V205 HydrophobicContact CB-CG2 4.43Å; L195-V205 HydrophobicContact CD2-CG2 4.27Å; M198-V205 HydrophobicContact CB-CG2 3.51Å; M198-V205 HydrophobicContact SD-CG2 4.41Å; T199-V205 WeakPolarHBondContact O-CB 3.42Å; T199-V205 VanDerWaalsContact O-CG2 3.32Å; T199-V205 WeakPolarHBondContact O-CG2 3.27Å; D202-V205 HydrophobicContact CB-CG2 4.34Å; D202-V205 WeakPolarHBondContact O-CB 3.29Å; D202-V205 PolarHBondContact O-N 3.17Å; K203-V205 VanDerWaalsContact C-N 3.29Å; K203-V205 PolarHBondContact O-N 3.02Å; V205-F208 WeakPolarHBondContact O-CB 3.3Å; V205-F208 PolarHBondContact O-N 2.95Å; V205-F208 VanDerWaalsContact O-N 3.16Å; V205-L209 PolarHBondContact O-N 3.49Å; V205-L209 VanDerWaalsContact O-N 3.09Å
206A75.3Confident74.4Confident37 Ų3785.1 Ų85.131%0.30646%0.46SS..Hα-helixtrans-56.7-51.417200000110.9D202 K203 F208 L209 D210D202-A206 PolarHBondContact O-N 3.16Å; K203-A206 PolarHBondContact O-N 3.3Å; A206-F208 PolarHBondContact O-N 3.38Å; A206-L209 CarbonylContact O-C 3.51Å; A206-L209 PolarHBondContact O-N 3.29Å; A206-D210 WeakPolarHBondContact O-CB 3.42Å; A206-D210 VanDerWaalsContact O-CG 3.26Å; A206-D210 PolarHBondContact O-N 3.07Å
207A76Confident73.9Confident33 Ų3383 Ų8327%0.27346%0.46SS..Hα-helixtrans-63.4-25.4177.700000113.9K203 R211K203-A207 VanDerWaalsContact O-CB 3.31Å; K203-A207 WeakPolarHBondContact O-CB 3.23Å; K203-A207 PolarHBondContact O-N 3.23Å; A207-R211 WeakPolarHBondContact O-CB 3.47Å; A207-R211 VanDerWaalsContact O-CG 3.31Å; A207-R211 WeakPolarHBondContact O-CG 3.49Å; A207-R211 PolarHBondContact O-N 2.95Å; A207-R211 VanDerWaalsContact O-N 3.14Å; A207-R211 PolarHBondContact O-NE 3.15Å
208F77.3Confident73.3Confident30 Ų3078.7 Ų78.713%0.13243%0.434CS..Hα-helixtrans-68.9-46.1171.9174.7-84.1000110.4P187 P189 L195 P204 V205 A206 H212P187-F208 HydrophobicContact CB-CE1 3.98Å; P187-F208 HydrophobicContact CB-CZ 4.21Å; P187-F208 HydrophobicContact CG-CE1 4.23Å; P187-F208 WeakPolarHBondContact O-CE1 3.31Å; P189-F208 HydrophobicContact CB-CD1 4.01Å; P189-F208 HydrophobicContact CB-CE1 4.26Å; P189-F208 HydrophobicContact CG-CD1 3.76Å; P189-F208 HydrophobicContact CG-CE1 4.05Å; L195-F208 HydrophobicContact CD1-CB 3.51Å; L195-F208 HydrophobicContact CD1-CD1 4.39Å; L195-F208 HydrophobicContact CD1-CD2 3.45Å; L195-F208 VanDerWaalsContact CD1-CD2 3.45Å; L195-F208 HydrophobicContact CD1-CE2 4.26Å; L195-F208 HydrophobicContact CD1-CG 3.53Å; P204-F208 WeakPolarHBondContact O-CB 3.13Å; P204-F208 PolarHBondContact O-N 3.11Å; V205-F208 WeakPolarHBondContact O-CB 3.3Å; V205-F208 PolarHBondContact O-N 2.95Å; V205-F208 VanDerWaalsContact O-N 3.16Å; A206-F208 PolarHBondContact O-N 3.38Å; F208-H212 AromaticContact CE1-CE1 3.77Å; F208-H212 AromaticContact CE2-CE1 3.69Å; F208-H212 AromaticContact CZ-CE1 3.52Å; F208-H212 PolarHBondContact O-ND1 2.88Å
209L69.1Low72.9Confident55 Ų5582.5 Ų82.529%0.28845%0.451SS..Hα-helixtrans-67.2-45.6176.5-66.1172.8000111P189 V205 A206 R211 H212 T213P189-L209 HydrophobicContact CG-CD2 4.11Å; P189-L209 HydrophobicContact CG-CG 4.27Å; V205-L209 PolarHBondContact O-N 3.49Å; V205-L209 VanDerWaalsContact O-N 3.09Å; A206-L209 CarbonylContact O-C 3.51Å; A206-L209 PolarHBondContact O-N 3.29Å; L209-R211 VanDerWaalsContact C-N 3.3Å; L209-R211 PolarHBondContact O-N 3.02Å; L209-H212 PolarHBondContact O-N 3.38Å; L209-T213 PolarHBondContact O-N 3.39Å; L209-T213 VanDerWaalsContact O-N 3.1Å; L209-T213 PolarHBondContact O-OG1 3.29Å
210D67.7Low72.9Confident80 Ų8079.7 Ų79.743%0.42843%0.433SS..Hα-helixtrans-54-45.1177.2-67.4-25000110.7A206 H212 T213 E214A206-D210 WeakPolarHBondContact O-CB 3.42Å; A206-D210 VanDerWaalsContact O-CG 3.26Å; A206-D210 PolarHBondContact O-N 3.07Å; D210-H212 PolarHBondContact O-N 3.22Å; D210-H212 VanDerWaalsContact O-N 3.13Å; D210-T213 WeakPolarHBondContact CA-OG1 3.37Å; D210-T213 CarbonylContact O-C 3.58Å; D210-T213 PolarHBondContact O-N 3.08Å; D210-T213 PolarHBondContact O-OG1 3.01Å; D210-E214 HydrophobicContact CB-CG 4.48Å; D210-E214 WeakPolarHBondContact O-CA 3.31Å; D210-E214 WeakPolarHBondContact O-CB 3.5Å; D210-E214 VanDerWaalsContact O-CG 3.31Å; D210-E214 WeakPolarHBondContact O-CG 3.49Å; D210-E214 PolarHBondContact O-N 2.81Å
211R67.2Low73.4Confident153 Ų15379 Ų7958%0.57741%0.414SS*.Hα-helixtrans-62.6-22178-79.7-174-63.2-103.5-2.9115.2A207 L209A207-R211 WeakPolarHBondContact O-CB 3.47Å; A207-R211 VanDerWaalsContact O-CG 3.31Å; A207-R211 WeakPolarHBondContact O-CG 3.49Å; A207-R211 PolarHBondContact O-N 2.95Å; A207-R211 VanDerWaalsContact O-N 3.14Å; A207-R211 PolarHBondContact O-NE 3.15Å; L209-R211 VanDerWaalsContact C-N 3.3Å; L209-R211 PolarHBondContact O-N 3.02Å
212H61.3Low73.8Confident111 Ų11171 Ų7151%0.51437%0.373SS..Hα-helixtrans-93.1-12.6175.6-62.987.8000111.9P187 F208 L209 D210P187-H212 HydrophobicContact CG-CB 3.64Å; F208-H212 AromaticContact CE1-CE1 3.77Å; F208-H212 AromaticContact CE2-CE1 3.69Å; F208-H212 AromaticContact CZ-CE1 3.52Å; F208-H212 PolarHBondContact O-ND1 2.88Å; L209-H212 PolarHBondContact O-N 3.38Å; D210-H212 PolarHBondContact O-N 3.22Å; D210-H212 VanDerWaalsContact O-N 3.13Å
213T53.6Low74.1Confident51 Ų5171.2 Ų71.231%0.31337%0.369SS..Hα-helixtrans-109.9-13.8175.358.30000113.7L209 D210 G215L209-T213 PolarHBondContact O-N 3.39Å; L209-T213 VanDerWaalsContact O-N 3.1Å; L209-T213 PolarHBondContact O-OG1 3.29Å; D210-T213 WeakPolarHBondContact CA-OG1 3.37Å; D210-T213 CarbonylContact O-C 3.58Å; D210-T213 PolarHBondContact O-N 3.08Å; D210-T213 PolarHBondContact O-OG1 3.01Å; T213-G215 PolarHBondContact O-N 3.43Å
214E54.8Low74.2Confident142 Ų14263.1 Ų63.166%0.66433%0.334SS*.  trans-67.497.8176.4-91.5-178.7168.300106.5D210D210-E214 HydrophobicContact CB-CG 4.48Å; D210-E214 WeakPolarHBondContact O-CA 3.31Å; D210-E214 WeakPolarHBondContact O-CB 3.5Å; D210-E214 VanDerWaalsContact O-CG 3.31Å; D210-E214 WeakPolarHBondContact O-CG 3.49Å; D210-E214 PolarHBondContact O-N 2.81Å
215G60.5Low74.2Confident56 Ų5665.1 Ų65.158%0.57734%0.341SS*.  trans-63.3154.2178.800000111.2T213T213-G215 PolarHBondContact O-N 3.43Å
216F68.9Low74.4Confident77 Ų7771.2 Ų71.234%0.33837%0.369SS..  trans-39.5152.7150.1-59.1-86.2000110.8A218 Q257 E260 A261 A264F216-A218 HydrophobicContact CB-CB 4.37Å; F216-A218 PolarHBondContact O-N 3.41Å; F216-Q257 HydrophobicContact CB-CB 3.75Å; F216-Q257 HydrophobicContact CD1-CB 4.24Å; F216-Q257 HydrophobicContact CG-CB 4.48Å; F216-E260 HydrophobicContact CD1-CB 3.43Å; F216-E260 VanDerWaalsContact CD1-CB 3.43Å; F216-E260 HydrophobicContact CE1-CB 3.26Å; F216-E260 HydrophobicContact CE1-CG 4.44Å; F216-E260 HydrophobicContact CG-CB 4.39Å; F216-E260 HydrophobicContact CZ-CB 4.12Å; F216-E260 WeakPolarHBondContact CZ-O 3.41Å; F216-A261 HydrophobicContact CB-CB 3.56Å; F216-A261 HydrophobicContact CD2-CB 3.67Å; F216-A261 HydrophobicContact CG-CB 3.68Å; F216-A264 HydrophobicContact CD2-CB 4.39Å; F216-A264 HydrophobicContact CE2-CB 3.27Å; F216-A264 HydrophobicContact CZ-CB 3.57Å
217D77.4Confident74.9Confident108 Ų10871.7 Ų71.758%0.57838%0.378SS*.SBendtrans-67.368.5167.3-169.715.8000109.2G255 P256 Q257D217-G255 CarbonylContact O-C 3.46Å; D217-P256 HydrophobicContact CB-CB 4.44Å; D217-P256 WeakPolarHBondContact O-CD 3.4Å; D217-P256 VanDerWaalsContact O-N 3.09Å; D217-P256 WeakPolarHBondContact OD2-CG 3.3Å; D217-Q257 HydrophobicContact CB-CG 4.16Å; D217-Q257 PolarHBondContact O-N 2.73Å
218A77.7Confident75.3Confident21 Ų2172.8 Ų72.817%0.17438%0.381CS..SBendtrans-161.7135.2-179.300000109.2F216 T254 E258 A261F216-A218 HydrophobicContact CB-CB 4.37Å; F216-A218 PolarHBondContact O-N 3.41Å; A218-T254 CarbonylContact C-O 3.5Å; A218-T254 VanDerWaalsContact CA-O 3.3Å; A218-T254 WeakPolarHBondContact CA-O 3.33Å; A218-E258 HydrophobicContact CB-CB 4.46Å; A218-A261 HydrophobicContact CB-CB 3.81Å
219E80.7Confident75.8Confident159 Ų15976.2 Ų76.274%0.74340%0.398SS*.EExtended strand (participates in β ladder)trans-78.4127.8167.8-67.5179.3176.700108.2A253 T254E219-A253 CarbonylContact O-C 3.55Å; E219-A253 VanDerWaalsContact O-CA 3.26Å; E219-A253 WeakPolarHBondContact O-CA 3.3Å; E219-T254 PolarHBondContact N-O 3.04Å; E219-T254 PolarHBondContact O-N 3.19Å
220V81.8Confident76.5Confident20 Ų2073.8 Ų73.812%0.12139%0.386CS..EExtended strand (participates in β ladder)trans-117117.7175.9-174.50000109.6L222 A232 V251 E252 A253 A261 V265V220-L222 HydrophobicContact CG1-CD2 4.39Å; V220-A232 HydrophobicContact CB-CB 3.84Å; V220-A232 HydrophobicContact CG1-CB 3.96Å; V220-A232 WeakPolarHBondContact O-CB 3.4Å; V220-A232 PolarHBondContact O-N 2.85Å; V220-V251 HydrophobicContact CG1-CG1 3.57Å; V220-E252 CarbonylContact C-O 3.57Å; V220-E252 WeakPolarHBondContact CA-O 3.49Å; V220-A253 HydrophobicContact CG2-CB 4.01Å; V220-A261 HydrophobicContact CG2-CB 3.63Å; V220-V265 HydrophobicContact CG1-CG1 4.45Å; V220-V265 HydrophobicContact CG1-CG2 4.07Å
221L86.4Confident77.2Confident49 Ų4975.4 Ų75.426%0.25739%0.391SS..EExtended strand (participates in β ladder)trans-104.8132.8177.8-166.172.5000109.6E229 E252L221-E229 HydrophobicContact CD1-CB 4.16Å; L221-E229 HydrophobicContact CD2-CB 4.45Å; L221-E229 HydrophobicContact CD2-CG 4.31Å; L221-E229 HydrophobicContact CG-CB 4.39Å; L221-E252 PolarHBondContact N-O 2.83Å; L221-E252 PolarHBondContact O-N 2.84Å
222L85.6Confident77.5Confident0 Ų069.4 Ų69.40%037%0.374CS..EExtended strand (participates in β ladder)trans-106.4135.4172.6-54.3-173.1000109.5V220 E229 A230 A232 L238 L241 I249 E250 V251 V265 F269V220-L222 HydrophobicContact CG1-CD2 4.39Å; L222-E229 CarbonylContact O-C 3.56Å; L222-E229 VanDerWaalsContact O-CA 3.22Å; L222-E229 WeakPolarHBondContact O-CA 3.29Å; L222-A230 PolarHBondContact N-O 3.29Å; L222-A230 PolarHBondContact O-N 2.93Å; L222-A232 HydrophobicContact CG-CB 4.36Å; L222-L238 HydrophobicContact CD1-CD2 3.13Å; L222-L238 HydrophobicContact CG-CD2 4.23Å; L222-L241 HydrophobicContact CB-CD1 4.42Å; L222-L241 HydrophobicContact CB-CD2 3.93Å; L222-L241 HydrophobicContact CD1-CD2 4.24Å; L222-I249 HydrophobicContact CB-CG2 3.94Å; L222-I249 HydrophobicContact CD2-CG2 4.33Å; L222-E250 CarbonylContact C-O 3.57Å; L222-E250 WeakPolarHBondContact CA-O 3.38Å; L222-V251 HydrophobicContact CD2-CB 4.14Å; L222-V251 HydrophobicContact CD2-CG1 3.77Å; L222-V251 HydrophobicContact CD2-CG2 3.71Å; L222-V265 HydrophobicContact CD2-CG1 3.98Å; L222-F269 HydrophobicContact CD1-CE2 3.63Å; L222-F269 HydrophobicContact CD1-CZ 3.48Å; L222-F269 VanDerWaalsContact CD1-CZ 3.48Å; L222-F269 HydrophobicContact CD2-CE2 4.24Å
223R87.3Confident78Confident67 Ų6769 Ų6925%0.25338%0.375SS..EExtended strand (participates in β ladder)trans-126.8129.8174.5-169.8-174.8-64121.64.4110.7T228 E229 I249 E250 E252R223-T228 VanDerWaalsContact CA-O 3.29Å; R223-T228 WeakPolarHBondContact CA-O 3.22Å; R223-E229 HydrophobicContact CB-CG 4.28Å; R223-E229 HydrophobicContact CG-CG 4Å; R223-E229 IonicContact CZ-OE1 2.73Å; R223-E229 IonicContact NE-OE1 3.21Å; R223-E229 PolarHBondContact NE-OE1 3.27Å; R223-E229 IonicContact NH2-OE1 3.88Å; R223-E229 PolarHBondContact NH2-OE1 3.3Å; R223-I249 CarbonylContact O-C 3.54Å; R223-I249 WeakPolarHBondContact O-CA 3.32Å; R223-E250 HydrophobicContact CB-CB 4.28Å; R223-E250 PolarHBondContact N-O 2.81Å; R223-E250 IonicContact NH1-OE2 3.49Å; R223-E250 PolarHBondContact NH1-OE2 3.38Å; R223-E250 PolarHBondContact O-N 2.82Å; R223-E252 IonicContact NH2-OE2 3.24Å
224N86.8Confident79Confident11 Ų1168.5 Ų68.56%0.05937%0.374CS..EExtended strand (participates in β ladder)trans-86.3171.2174.474.48.6000111.8E226 G227 T228 L241N224-E226 PolarHBondContact O-N 3.14Å; N224-E226 WeakPolarHBondContact OD1-CA 3.35Å; N224-E226 WeakPolarHBondContact OD1-CB 3.48Å; N224-E226 PolarHBondContact OD1-N 3.02Å; N224-G227 PolarHBondContact O-N 3.1Å; N224-G227 PolarHBondContact OD1-N 2.93Å; N224-T228 PolarHBondContact N-O 3.44Å; N224-T228 WeakPolarHBondContact ND2-CB 3.5Å; N224-T228 PolarHBondContact ND2-OG1 2.76Å; N224-T228 WeakPolarHBondContact OD1-CB 3.18Å; N224-T228 PolarHBondContact OD1-N 3.25Å; N224-L241 HydrophobicContact CB-CD1 4.16Å; N224-L241 HydrophobicContact CB-CG 4.15Å; N224-L241 PolarHBondContact ND2-O 3.16Å
225D83.4Confident79.6Confident99 Ų9963.4 Ų63.453%0.52935%0.352SS..THydrogen-bonded Turntrans-57.3-18.9176.9-60.8-29.5000114.1R247D225-R247 VanDerWaalsContact OD2-CD 3.32Å; D225-R247 WeakPolarHBondContact OD2-CD 3.46Å
226E84.5Confident80Confident136 Ų13665.3 Ų65.364%0.63635%0.348SS*.THydrogen-bonded Turntrans-92.70.5179.8-61.3179.3-165.500112.2N224 T228 R247N224-E226 PolarHBondContact O-N 3.14Å; N224-E226 WeakPolarHBondContact OD1-CA 3.35Å; N224-E226 WeakPolarHBondContact OD1-CB 3.48Å; N224-E226 PolarHBondContact OD1-N 3.02Å; E226-T228 VanDerWaalsContact C-N 3.32Å; E226-R247 IonicContact OE1-CZ 3.02Å; E226-R247 IonicContact OE1-NH1 3.75Å; E226-R247 PolarHBondContact OE1-NH1 2.71Å; E226-R247 IonicContact OE1-NH2 2.83Å
227G83.9Confident80.1Confident47 Ų4762.6 Ų62.649%0.48534%0.34SS..  trans77.813.5-179.500000114.1N224N224-G227 PolarHBondContact O-N 3.1Å; N224-G227 PolarHBondContact OD1-N 2.93Å
228T85.7Confident79.9Confident56 Ų5658.9 Ų58.934%0.34432%0.32SS..  trans-75.4132.8172.6-52.80000108.7R223 N224 E226 L241R223-T228 VanDerWaalsContact CA-O 3.29Å; R223-T228 WeakPolarHBondContact CA-O 3.22Å; N224-T228 PolarHBondContact N-O 3.44Å; N224-T228 WeakPolarHBondContact ND2-CB 3.5Å; N224-T228 PolarHBondContact ND2-OG1 2.76Å; N224-T228 WeakPolarHBondContact OD1-CB 3.18Å; N224-T228 PolarHBondContact OD1-N 3.25Å; E226-T228 VanDerWaalsContact C-N 3.32Å; T228-L241 WeakPolarHBondContact O-CD1 3.31Å
229E87.1Confident79.5Confident103 Ų10360.7 Ų60.748%0.48133%0.327SS..EExtended strand (participates in β ladder)trans-112.3143.7-176.4-65-178.9165.700111.4L221 L222 R223L221-E229 HydrophobicContact CD1-CB 4.16Å; L221-E229 HydrophobicContact CD2-CB 4.45Å; L221-E229 HydrophobicContact CD2-CG 4.31Å; L221-E229 HydrophobicContact CG-CB 4.39Å; L222-E229 CarbonylContact O-C 3.56Å; L222-E229 VanDerWaalsContact O-CA 3.22Å; L222-E229 WeakPolarHBondContact O-CA 3.29Å; R223-E229 HydrophobicContact CB-CG 4.28Å; R223-E229 HydrophobicContact CG-CG 4Å; R223-E229 IonicContact CZ-OE1 2.73Å; R223-E229 IonicContact NE-OE1 3.21Å; R223-E229 PolarHBondContact NE-OE1 3.27Å; R223-E229 IonicContact NH2-OE1 3.88Å; R223-E229 PolarHBondContact NH2-OE1 3.3Å
230A84Confident79.2Confident4 Ų458.8 Ų58.83%0.03332%0.319CS..EExtended strand (participates in β ladder)trans-142.9137.6177.900000111.7L222 A237 L241L222-A230 PolarHBondContact N-O 3.29Å; L222-A230 PolarHBondContact O-N 2.93Å; A230-A237 HydrophobicContact CB-CB 3.93Å; A230-A237 WeakPolarHBondContact CB-O 3.41Å; A230-L241 HydrophobicContact CB-CB 4.13Å; A230-L241 HydrophobicContact CB-CD1 3.88Å; A230-L241 HydrophobicContact CB-CG 4.49Å
231E81.7Confident79Confident113 Ų11358 Ų5853%0.52831%0.314SS..EExtended strand (participates in β ladder)trans-74.9130170-66.6-178.2-159.800110.6N233 S234E231-N233 WeakPolarHBondContact CB-OD1 3.41Å; E231-N233 PolarHBondContact O-N 3.29Å; E231-N233 PolarHBondContact OE2-ND2 3.03Å; E231-N233 PolarHBondContact OE2-OD1 3.37Å; E231-S234 PolarHBondContact O-N 3.16Å
232A74.9Confident78.3Confident27 Ų2762.4 Ų62.422%0.22334%0.338CS..THydrogen-bonded Turntrans-70.7-18.2-176.300000114V220 L222 S234 V265V220-A232 HydrophobicContact CB-CB 3.84Å; V220-A232 HydrophobicContact CG1-CB 3.96Å; V220-A232 WeakPolarHBondContact O-CB 3.4Å; V220-A232 PolarHBondContact O-N 2.85Å; L222-A232 HydrophobicContact CG-CB 4.36Å; A232-S234 PolarHBondContact O-N 3.39Å; A232-V265 HydrophobicContact CB-CG2 4.46Å
233N72Confident77.7Confident103 Ų10364.4 Ų64.455%0.55135%0.352SS*.THydrogen-bonded Turntrans-76.6-9.7177.365.76.9000113.1E231E231-N233 WeakPolarHBondContact CB-OD1 3.41Å; E231-N233 PolarHBondContact O-N 3.29Å; E231-N233 PolarHBondContact OE2-ND2 3.03Å; E231-N233 PolarHBondContact OE2-OD1 3.37Å
234S73.1Confident77.1Confident41 Ų4164.1 Ų64.129%0.28736%0.364SS..  trans-115.9108.4-175.5174.60000110E231 A232 I236 A237 L238E231-S234 PolarHBondContact O-N 3.16Å; A232-S234 PolarHBondContact O-N 3.39Å; S234-I236 PolarHBondContact O-N 3.42Å; S234-I236 VanDerWaalsContact O-N 3.15Å; S234-A237 WeakPolarHBondContact O-CB 3.48Å; S234-A237 PolarHBondContact O-N 3.05Å; S234-A237 PolarHBondContact OG-N 3.14Å; S234-A237 VanDerWaalsContact OG-N 3.16Å; S234-L238 WeakPolarHBondContact O-CG 3.32Å; S234-L238 PolarHBondContact O-N 2.93Å
235V68.6Low76.4Confident34 Ų3474.2 Ų74.221%0.20641%0.407CS..Hα-helixtrans-49.6-39.9172.3175.40000111V183 F185 L186 L239V183-V235 HydrophobicContact CG1-CG1 3.96Å; F185-V235 HydrophobicContact CE1-CG1 4.06Å; F185-V235 HydrophobicContact CE2-CG1 4.39Å; F185-V235 HydrophobicContact CZ-CB 4.26Å; F185-V235 HydrophobicContact CZ-CG1 3.49Å; F185-V235 VanDerWaalsContact CZ-CG1 3.49Å; F185-V235 HydrophobicContact CZ-CG2 4.4Å; L186-V235 HydrophobicContact CD1-CG1 4.3Å; L186-V235 HydrophobicContact CD1-CG2 4.04Å; L186-V235 HydrophobicContact CD2-CG2 3.93Å; V235-L239 HydrophobicContact CG1-CD1 4.33Å; V235-L239 VanDerWaalsContact O-CG 3.3Å; V235-L239 WeakPolarHBondContact O-CG 3.43Å; V235-L239 PolarHBondContact O-N 3.27Å; V235-L239 VanDerWaalsContact O-N 3.11Å
236I68.3Low76.1Confident96 Ų9673.4 Ų73.449%0.49242%0.422SS..Hα-helixtrans-67.4-44.3178.1-64.2172.3000110.6F181 S234 L238 L239 M240F181-I236 HydrophobicContact CE1-CG2 4.32Å; S234-I236 PolarHBondContact O-N 3.42Å; S234-I236 VanDerWaalsContact O-N 3.15Å; I236-L238 PolarHBondContact O-N 3Å; I236-L239 PolarHBondContact O-N 3.47Å; I236-M240 HydrophobicContact CG2-CG 4.4Å; I236-M240 VanDerWaalsContact O-CG 3.29Å; I236-M240 WeakPolarHBondContact O-CG 3.34Å; I236-M240 PolarHBondContact O-N 2.85Å
237A71.9Confident76Confident20 Ų2072.7 Ų72.717%0.16541%0.414CS..Hα-helixtrans-63.5-42.3178.300000111.4A230 S234 L239 M240 L241A230-A237 HydrophobicContact CB-CB 3.93Å; A230-A237 WeakPolarHBondContact CB-O 3.41Å; S234-A237 WeakPolarHBondContact O-CB 3.48Å; S234-A237 PolarHBondContact O-N 3.05Å; S234-A237 PolarHBondContact OG-N 3.14Å; S234-A237 VanDerWaalsContact OG-N 3.16Å; A237-L239 VanDerWaalsContact C-N 3.32Å; A237-L239 PolarHBondContact O-N 3.04Å; A237-M240 CarbonylContact O-C 3.55Å; A237-M240 WeakPolarHBondContact O-CA 3.2Å; A237-M240 WeakPolarHBondContact O-CB 3.39Å; A237-M240 PolarHBondContact O-N 2.96Å; A237-M240 VanDerWaalsContact O-N 3.08Å; A237-L241 PolarHBondContact O-N 2.59Å
238L71.9Confident75.9Confident31 Ų3177.8 Ų77.816%0.16243%0.425CS..Hα-helixtrans-56.8-44.1174.7-68.2-179.4000112.3F185 L222 S234 I236 M240 L241F185-L238 HydrophobicContact CE2-CD1 4.38Å; L222-L238 HydrophobicContact CD1-CD2 3.13Å; L222-L238 HydrophobicContact CG-CD2 4.23Å; S234-L238 WeakPolarHBondContact O-CG 3.32Å; S234-L238 PolarHBondContact O-N 2.93Å; I236-L238 PolarHBondContact O-N 3Å; L238-M240 VanDerWaalsContact C-N 3.32Å; L238-L241 VanDerWaalsContact O-CB 3.23Å; L238-L241 WeakPolarHBondContact O-CB 3.32Å; L238-L241 PolarHBondContact O-N 2.96Å
239L70.1Confident75.8Confident58 Ų5877.3 Ų77.330%0.30442%0.42SS..Hα-helixtrans-66.5-35.3176-70.7171000112F181 F185 V235 I236 A237 L241 D242F181-L239 HydrophobicContact CB-CD1 3.88Å; F181-L239 HydrophobicContact CD1-CD1 3.85Å; F181-L239 HydrophobicContact CG-CD1 4.37Å; F185-L239 HydrophobicContact CE1-CD2 4.1Å; F185-L239 HydrophobicContact CE1-CG 4.32Å; V235-L239 HydrophobicContact CG1-CD1 4.33Å; V235-L239 VanDerWaalsContact O-CG 3.3Å; V235-L239 WeakPolarHBondContact O-CG 3.43Å; V235-L239 PolarHBondContact O-N 3.27Å; V235-L239 VanDerWaalsContact O-N 3.11Å; I236-L239 PolarHBondContact O-N 3.47Å; A237-L239 VanDerWaalsContact C-N 3.32Å; A237-L239 PolarHBondContact O-N 3.04Å; L239-L241 PolarHBondContact O-N 3.21Å; L239-D242 PolarHBondContact O-N 3.28Å
240M74.5Confident75.8Confident119 Ų11978.2 Ų78.259%0.58642%0.424SS*.Hα-helixtrans-72.2-13.4176.6-72.4-55.9-36.900114.1I236 A237 L238 D242I236-M240 HydrophobicContact CG2-CG 4.4Å; I236-M240 VanDerWaalsContact O-CG 3.29Å; I236-M240 WeakPolarHBondContact O-CG 3.34Å; I236-M240 PolarHBondContact O-N 2.85Å; A237-M240 CarbonylContact O-C 3.55Å; A237-M240 WeakPolarHBondContact O-CA 3.2Å; A237-M240 WeakPolarHBondContact O-CB 3.39Å; A237-M240 PolarHBondContact O-N 2.96Å; A237-M240 VanDerWaalsContact O-N 3.08Å; L238-M240 VanDerWaalsContact C-N 3.32Å; M240-D242 PolarHBondContact O-N 3.13Å
241L76.9Confident76Confident4 Ų479.9 Ų79.92%0.02143%0.434CS..THydrogen-bonded Turntrans-63.6-19.3173.6-164.669.9000112L222 N224 T228 A230 A237 L238 L239 S243 I249L222-L241 HydrophobicContact CB-CD1 4.42Å; L222-L241 HydrophobicContact CB-CD2 3.93Å; L222-L241 HydrophobicContact CD1-CD2 4.24Å; N224-L241 HydrophobicContact CB-CD1 4.16Å; N224-L241 HydrophobicContact CB-CG 4.15Å; N224-L241 PolarHBondContact ND2-O 3.16Å; T228-L241 WeakPolarHBondContact O-CD1 3.31Å; A230-L241 HydrophobicContact CB-CB 4.13Å; A230-L241 HydrophobicContact CB-CD1 3.88Å; A230-L241 HydrophobicContact CB-CG 4.49Å; A237-L241 PolarHBondContact O-N 2.59Å; L238-L241 VanDerWaalsContact O-CB 3.23Å; L238-L241 WeakPolarHBondContact O-CB 3.32Å; L238-L241 PolarHBondContact O-N 2.96Å; L239-L241 PolarHBondContact O-N 3.21Å; L241-S243 PolarHBondContact O-N 2.94Å; L241-I249 HydrophobicContact CD2-CD1 3.92Å; L241-I249 HydrophobicContact CD2-CG1 4.3Å; L241-I249 HydrophobicContact CD2-CG2 4.08Å
242D71.5Confident76.2Confident142 Ų14279.3 Ų79.376%0.75943%0.431SS*.  trans45.938.9175.1-162.725.7000113.6L239 M240L239-D242 PolarHBondContact O-N 3.28Å; M240-D242 PolarHBondContact O-N 3.13Å
243S73.4Confident76.8Confident42 Ų4278.8 Ų78.829%0.29443%0.427SS..PPolyproline II helixtrans-92.9120-176.3-168.20000110.7L241 R247L241-S243 PolarHBondContact O-N 2.94Å; S243-R247 WeakPolarHBondContact OG-CB 3.46Å
244A74.2Confident77.6Confident61 Ų6177.9 Ų77.950%0.50443%0.426SS..PPolyproline II helixtrans-70.414817800000112.2G246 R247A244-G246 PolarHBondContact O-N 3.45Å; A244-R247 HydrophobicContact CB-CG 4.19Å; A244-R247 WeakPolarHBondContact O-CB 3.29Å; A244-R247 WeakPolarHBondContact O-CG 3.49Å; A244-R247 PolarHBondContact O-N 2.89Å
245K73.5Confident78.3Confident222 Ų22277.1 Ų77.197%0.96542%0.424SS*.THydrogen-bonded Turntrans-51.6125.2175-174.3173.1-175.3165.80111.2
246G76.7Confident79.1Confident82 Ų8280.6 Ų80.685%0.84545%0.447SS*.THydrogen-bonded Turntrans93.5-3.6179.800000115.3A244A244-G246 PolarHBondContact O-N 3.45Å
247R81.2Confident80Confident121 Ų12179.7 Ų79.746%0.45744%0.441SS..  trans-72.1157.7166.2-70.7-87.1-172.8114.36.2110.7D225 E226 S243 A244D225-R247 VanDerWaalsContact OD2-CD 3.32Å; D225-R247 WeakPolarHBondContact OD2-CD 3.46Å; E226-R247 IonicContact OE1-CZ 3.02Å; E226-R247 IonicContact OE1-NH1 3.75Å; E226-R247 PolarHBondContact OE1-NH1 2.71Å; E226-R247 IonicContact OE1-NH2 2.83Å; S243-R247 WeakPolarHBondContact OG-CB 3.46Å; A244-R247 HydrophobicContact CB-CG 4.19Å; A244-R247 WeakPolarHBondContact O-CB 3.29Å; A244-R247 WeakPolarHBondContact O-CG 3.49Å; A244-R247 PolarHBondContact O-N 2.89Å
248Q82.8Confident80.7Confident154 Ų15483.2 Ų83.272%0.7245%0.454SS*.  trans-84.1147.4171.9-67-172.4-12.100109.8
249I84Confident81.4Confident47 Ų4789.2 Ų89.224%0.24148%0.481CS..EExtended strand (participates in β ladder)trans-130.5124174.6-61.2173000105.9L222 R223 L241 V251 F269L222-I249 HydrophobicContact CB-CG2 3.94Å; L222-I249 HydrophobicContact CD2-CG2 4.33Å; R223-I249 CarbonylContact O-C 3.54Å; R223-I249 WeakPolarHBondContact O-CA 3.32Å; L241-I249 HydrophobicContact CD2-CD1 3.92Å; L241-I249 HydrophobicContact CD2-CG1 4.3Å; L241-I249 HydrophobicContact CD2-CG2 4.08Å; I249-V251 HydrophobicContact CG2-CG2 4.47Å; I249-F269 HydrophobicContact CD1-CD1 4.27Å; I249-F269 HydrophobicContact CD1-CE1 3.75Å; I249-F269 HydrophobicContact CD1-CZ 4.29Å
250E87.2Confident82Confident121 Ų12191.2 Ų91.257%0.56549%0.489SS*.EExtended strand (participates in β ladder)trans-78.5132.4169-64.8-177.8165.800108.6L222 R223L222-E250 CarbonylContact C-O 3.57Å; L222-E250 WeakPolarHBondContact CA-O 3.38Å; R223-E250 HydrophobicContact CB-CB 4.28Å; R223-E250 PolarHBondContact N-O 2.81Å; R223-E250 IonicContact NH1-OE2 3.49Å; R223-E250 PolarHBondContact NH1-OE2 3.38Å; R223-E250 PolarHBondContact O-N 2.82Å
251V87.3Confident82.4Confident39 Ų3985.6 Ų85.624%0.23646%0.462CS..EExtended strand (participates in β ladder)trans-117.4119.7178.3-172.30000107.8V220 L222 I249 L262 V265V220-V251 HydrophobicContact CG1-CG1 3.57Å; L222-V251 HydrophobicContact CD2-CB 4.14Å; L222-V251 HydrophobicContact CD2-CG1 3.77Å; L222-V251 HydrophobicContact CD2-CG2 3.71Å; I249-V251 HydrophobicContact CG2-CG2 4.47Å; V251-L262 HydrophobicContact CB-CD1 3.74Å; V251-L262 HydrophobicContact CG1-CD1 3.47Å; V251-L262 VanDerWaalsContact CG1-CD1 3.47Å; V251-V265 HydrophobicContact CG1-CB 4.44Å; V251-V265 HydrophobicContact CG1-CG1 3.93Å; V251-V265 HydrophobicContact CG2-CG1 4.46Å
252E87Confident82.7Confident101 Ų10188.3 Ų88.347%0.47248%0.476SS..EExtended strand (participates in β ladder)trans-116.5124.7177.4-174.6172.317800108.4V220 L221 R223V220-E252 CarbonylContact C-O 3.57Å; V220-E252 WeakPolarHBondContact CA-O 3.49Å; L221-E252 PolarHBondContact N-O 2.83Å; L221-E252 PolarHBondContact O-N 2.84Å; R223-E252 IonicContact NH2-OE2 3.24Å
253A87.3Confident83.2Confident17 Ų1784.4 Ų84.414%0.1446%0.463CS..EExtended strand (participates in β ladder)trans-117.1137.4177.500000109.5E219 V220 E258 A261 L262E219-A253 CarbonylContact O-C 3.55Å; E219-A253 VanDerWaalsContact O-CA 3.26Å; E219-A253 WeakPolarHBondContact O-CA 3.3Å; V220-A253 HydrophobicContact CG2-CB 4.01Å; A253-E258 HydrophobicContact CB-CB 4.02Å; A253-A261 HydrophobicContact CB-CB 4.5Å; A253-L262 HydrophobicContact CB-CB 4.14Å
254T87.3Confident83.6Confident84 Ų8484.3 Ų84.352%0.51547%0.465SS..EExtended strand (participates in β ladder)trans-135.8120177.4-60.70000110.1A218 E219A218-T254 CarbonylContact C-O 3.5Å; A218-T254 VanDerWaalsContact CA-O 3.3Å; A218-T254 WeakPolarHBondContact CA-O 3.33Å; E219-T254 PolarHBondContact N-O 3.04Å; E219-T254 PolarHBondContact O-N 3.19Å
255G88.3Confident83.8Confident25 Ų2582.4 Ų82.426%0.25845%0.447SS..SBendtrans149.4178.4172.300000114.5D217 Q257 E258D217-G255 CarbonylContact O-C 3.46Å; G255-Q257 PolarHBondContact O-N 3.37Å; G255-E258 WeakPolarHBondContact O-CB 3.41Å; G255-E258 PolarHBondContact O-N 3.38Å; G255-E258 VanDerWaalsContact O-N 3.11Å
256P86.9Confident84.2Confident106 Ų10675.3 Ų75.369%0.68842%0.419SS*.THydrogen-bonded Turntrans-51.3-28.2-179.3-31.236.5000116D217D217-P256 HydrophobicContact CB-CB 4.44Å; D217-P256 WeakPolarHBondContact O-CD 3.4Å; D217-P256 VanDerWaalsContact O-N 3.09Å; D217-P256 WeakPolarHBondContact OD2-CG 3.3Å
257Q86.3Confident84.4Confident78 Ų7874.1 Ų74.136%0.36440%0.401SS..THydrogen-bonded Turntrans-11831.8-179.5-64.2-171.2-54.600113F216 D217 G255 E259 E260 A261F216-Q257 HydrophobicContact CB-CB 3.75Å; F216-Q257 HydrophobicContact CD1-CB 4.24Å; F216-Q257 HydrophobicContact CG-CB 4.48Å; D217-Q257 HydrophobicContact CB-CG 4.16Å; D217-Q257 PolarHBondContact O-N 2.73Å; G255-Q257 PolarHBondContact O-N 3.37Å; Q257-E259 VanDerWaalsContact C-N 3.34Å; Q257-E259 PolarHBondContact O-N 3.34Å; Q257-E260 WeakPolarHBondContact CA-OE2 3.38Å; Q257-E260 WeakPolarHBondContact CB-OE2 3.36Å; Q257-E260 PolarHBondContact O-N 3.15Å; Q257-A261 WeakPolarHBondContact O-CB 3.26Å; Q257-A261 PolarHBondContact O-N 3.16Å
258E86.3Confident84.1Confident93 Ų9371.7 Ų71.744%0.43540%0.397SS..Hα-helixtrans-58.8-39.4-174.564.7-173.7-16300114A218 A253 G255 A261 L262A218-E258 HydrophobicContact CB-CB 4.46Å; A253-E258 HydrophobicContact CB-CB 4.02Å; G255-E258 WeakPolarHBondContact O-CB 3.41Å; G255-E258 PolarHBondContact O-N 3.38Å; G255-E258 VanDerWaalsContact O-N 3.11Å; E258-A261 PolarHBondContact O-N 3.35Å; E258-L262 VanDerWaalsContact O-CB 3.25Å; E258-L262 WeakPolarHBondContact O-CB 3.31Å; E258-L262 PolarHBondContact O-N 2.85Å
259E86.5Confident83.7Confident158 Ų15867.3 Ų67.374%0.73838%0.375SS*.Hα-helixtrans-67.6-43.2-179.2-69.8-170168.700111.5Q257 A263Q257-E259 VanDerWaalsContact C-N 3.34Å; Q257-E259 PolarHBondContact O-N 3.34Å; E259-A263 WeakPolarHBondContact O-CB 3.23Å; E259-A263 PolarHBondContact O-N 2.87Å; E259-A263 VanDerWaalsContact O-N 3.09Å
260E82.7Confident83.3Confident100 Ų10071.5 Ų71.547%0.46740%0.398SS..Hα-helixtrans-70-36.5178.6-57.5106.4152.700111.5F216 Q257 A263 A264F216-E260 HydrophobicContact CD1-CB 3.43Å; F216-E260 VanDerWaalsContact CD1-CB 3.43Å; F216-E260 HydrophobicContact CE1-CB 3.26Å; F216-E260 HydrophobicContact CE1-CG 4.44Å; F216-E260 HydrophobicContact CG-CB 4.39Å; F216-E260 HydrophobicContact CZ-CB 4.12Å; F216-E260 WeakPolarHBondContact CZ-O 3.41Å; Q257-E260 WeakPolarHBondContact CA-OE2 3.38Å; Q257-E260 WeakPolarHBondContact CB-OE2 3.36Å; Q257-E260 PolarHBondContact O-N 3.15Å; E260-A263 PolarHBondContact O-N 3.5Å; E260-A264 WeakPolarHBondContact O-CB 3.12Å; E260-A264 PolarHBondContact O-N 2.98Å
261A82.3Confident82.7Confident1 Ų168.1 Ų68.11%0.00839%0.388CS..Hα-helixtrans-62.5-50.317500000112.7F216 A218 V220 A253 Q257 E258 A263 A264 V265F216-A261 HydrophobicContact CB-CB 3.56Å; F216-A261 HydrophobicContact CD2-CB 3.67Å; F216-A261 HydrophobicContact CG-CB 3.68Å; A218-A261 HydrophobicContact CB-CB 3.81Å; V220-A261 HydrophobicContact CG2-CB 3.63Å; A253-A261 HydrophobicContact CB-CB 4.5Å; Q257-A261 WeakPolarHBondContact O-CB 3.26Å; Q257-A261 PolarHBondContact O-N 3.16Å; E258-A261 PolarHBondContact O-N 3.35Å; A261-A263 VanDerWaalsContact C-N 3.32Å; A261-A263 PolarHBondContact O-N 2.83Å; A261-A264 PolarHBondContact O-N 3.02Å; A261-V265 WeakPolarHBondContact O-CG2 3.45Å; A261-V265 PolarHBondContact O-N 2.69Å
262L83.1Confident81.8Confident60 Ų6067.8 Ų67.831%0.31439%0.393SS..Hα-helixtrans-59.4-45.4178.6-176.463.4000110.9V251 A253 E258 A264 I266V251-L262 HydrophobicContact CB-CD1 3.74Å; V251-L262 HydrophobicContact CG1-CD1 3.47Å; V251-L262 VanDerWaalsContact CG1-CD1 3.47Å; A253-L262 HydrophobicContact CB-CB 4.14Å; E258-L262 VanDerWaalsContact O-CB 3.25Å; E258-L262 WeakPolarHBondContact O-CB 3.31Å; E258-L262 PolarHBondContact O-N 2.85Å; L262-A264 PolarHBondContact O-N 3.42Å; L262-I266 HydrophobicContact CD1-CD1 3.94Å; L262-I266 HydrophobicContact CD1-CG1 4.44Å; L262-I266 HydrophobicContact CG-CD1 3.87Å; L262-I266 WeakPolarHBondContact O-CB 3.31Å; L262-I266 VanDerWaalsContact O-CG1 3.23Å; L262-I266 WeakPolarHBondContact O-CG1 3.32Å; L262-I266 PolarHBondContact O-N 3.3Å
263A83.5Confident80.8Confident61 Ų6165.2 Ų65.250%0.50438%0.38SS..Hα-helixtrans-63-42.6179.100000112.5E259 E260 A261 A267E259-A263 WeakPolarHBondContact O-CB 3.23Å; E259-A263 PolarHBondContact O-N 2.87Å; E259-A263 VanDerWaalsContact O-N 3.09Å; E260-A263 PolarHBondContact O-N 3.5Å; A261-A263 VanDerWaalsContact C-N 3.32Å; A261-A263 PolarHBondContact O-N 2.83Å; A263-A267 VanDerWaalsContact O-CB 3.31Å; A263-A267 WeakPolarHBondContact O-CB 3.41Å; A263-A267 PolarHBondContact O-N 2.79Å
264A80.4Confident79.6Confident39 Ų3970.5 Ų70.532%0.32241%0.406SS..Hα-helixtrans-67-43179.600000112.6F216 E260 A261 L262 A267 L268F216-A264 HydrophobicContact CD2-CB 4.39Å; F216-A264 HydrophobicContact CE2-CB 3.27Å; F216-A264 HydrophobicContact CZ-CB 3.57Å; E260-A264 WeakPolarHBondContact O-CB 3.12Å; E260-A264 PolarHBondContact O-N 2.98Å; A261-A264 PolarHBondContact O-N 3.02Å; L262-A264 PolarHBondContact O-N 3.42Å; A264-A267 PolarHBondContact O-N 2.84Å; A264-L268 WeakPolarHBondContact O-CB 3.34Å; A264-L268 PolarHBondContact O-N 2.95Å
265V79.5Confident77.9Confident21 Ų2171.8 Ų71.813%0.12741%0.406CS..Hα-helixtrans-64.4-46.1177.5171.10000110.5V220 L222 A232 V251 A261 A267 L268 F269V220-V265 HydrophobicContact CG1-CG1 4.45Å; V220-V265 HydrophobicContact CG1-CG2 4.07Å; L222-V265 HydrophobicContact CD2-CG1 3.98Å; A232-V265 HydrophobicContact CB-CG2 4.46Å; V251-V265 HydrophobicContact CG1-CB 4.44Å; V251-V265 HydrophobicContact CG1-CG1 3.93Å; V251-V265 HydrophobicContact CG2-CG1 4.46Å; A261-V265 WeakPolarHBondContact O-CG2 3.45Å; A261-V265 PolarHBondContact O-N 2.69Å; V265-A267 VanDerWaalsContact C-N 3.3Å; V265-A267 PolarHBondContact O-N 3.21Å; V265-L268 WeakPolarHBondContact O-CB 3.17Å; V265-L268 PolarHBondContact O-N 3.37Å; V265-F269 HydrophobicContact CG1-CD2 3.78Å; V265-F269 HydrophobicContact CG1-CE2 3.76Å; V265-F269 VanDerWaalsContact O-CD2 3.32Å; V265-F269 WeakPolarHBondContact O-CD2 3.41Å; V265-F269 PolarHBondContact O-N 3Å
266I81.7Confident75.6Confident74 Ų7482 Ų8238%0.37946%0.455SS..Hα-helixtrans-60-41.3175.7-69.8170.1000111.2L262 N270L262-I266 HydrophobicContact CD1-CD1 3.94Å; L262-I266 HydrophobicContact CD1-CG1 4.44Å; L262-I266 HydrophobicContact CG-CD1 3.87Å; L262-I266 WeakPolarHBondContact O-CB 3.31Å; L262-I266 VanDerWaalsContact O-CG1 3.23Å; L262-I266 WeakPolarHBondContact O-CG1 3.32Å; L262-I266 PolarHBondContact O-N 3.3Å; I266-N270 VanDerWaalsContact CG2-ND2 3.32Å; I266-N270 WeakPolarHBondContact CG2-ND2 3.37Å; I266-N270 VanDerWaalsContact O-CB 3.31Å; I266-N270 WeakPolarHBondContact O-CB 3.37Å; I266-N270 VanDerWaalsContact O-CG 3.29Å; I266-N270 PolarHBondContact O-N 2.95Å; I266-N270 PolarHBondContact O-ND2 3.02Å; I266-N270 VanDerWaalsContact O-ND2 3.1Å
267A79.9Confident75.1Confident56 Ų5680.8 Ų80.846%0.46344%0.443SS..Hα-helixtrans-62.6-42.6177.400000112A263 A264 V265 N270 S271A263-A267 VanDerWaalsContact O-CB 3.31Å; A263-A267 WeakPolarHBondContact O-CB 3.41Å; A263-A267 PolarHBondContact O-N 2.79Å; A264-A267 PolarHBondContact O-N 2.84Å; V265-A267 VanDerWaalsContact C-N 3.3Å; V265-A267 PolarHBondContact O-N 3.21Å; A267-N270 PolarHBondContact O-N 3.02Å; A267-S271 PolarHBondContact O-N 3.49Å
268L75.4Confident74.5Confident71 Ų7180.9 Ų80.937%0.37245%0.447SS..Hα-helixtrans-62.7-46.4178-174.970.2000112.2A264 V265 N270 S271 G272 F273A264-L268 WeakPolarHBondContact O-CB 3.34Å; A264-L268 PolarHBondContact O-N 2.95Å; V265-L268 WeakPolarHBondContact O-CB 3.17Å; V265-L268 PolarHBondContact O-N 3.37Å; L268-N270 PolarHBondContact O-N 3.3Å; L268-S271 PolarHBondContact O-N 2.88Å; L268-S271 PolarHBondContact O-OG 3.24Å; L268-G272 PolarHBondContact O-N 3.1Å; L268-F273 HydrophobicContact CD1-CD1 3.97Å; L268-F273 HydrophobicContact CD2-CD1 3.75Å; L268-F273 HydrophobicContact CD2-CE1 3.64Å; L268-F273 HydrophobicContact CG-CD1 3.58Å; L268-F273 HydrophobicContact CG-CE1 3.82Å; L268-F273 HydrophobicContact CG-CG 4.38Å; L268-F273 PolarHBondContact O-N 2.99Å
269F75.8Confident73.8Confident61 Ų6180.3 Ų80.327%0.26845%0.448SS..Hα-helixtrans-64.9-39.4176.1-84.6-79.7000112L222 I249 V265 G272 F273L222-F269 HydrophobicContact CD1-CE2 3.63Å; L222-F269 HydrophobicContact CD1-CZ 3.48Å; L222-F269 VanDerWaalsContact CD1-CZ 3.48Å; L222-F269 HydrophobicContact CD2-CE2 4.24Å; I249-F269 HydrophobicContact CD1-CD1 4.27Å; I249-F269 HydrophobicContact CD1-CE1 3.75Å; I249-F269 HydrophobicContact CD1-CZ 4.29Å; V265-F269 HydrophobicContact CG1-CD2 3.78Å; V265-F269 HydrophobicContact CG1-CE2 3.76Å; V265-F269 VanDerWaalsContact O-CD2 3.32Å; V265-F269 WeakPolarHBondContact O-CD2 3.41Å; V265-F269 PolarHBondContact O-N 3Å; F269-G272 PolarHBondContact O-N 3.11Å; F269-G272 VanDerWaalsContact O-N 3.15Å; F269-F273 AromaticContact CD1-CE2 3.87Å; F269-F273 HydrophobicContact CD1-CE2 3.87Å; F269-F273 AromaticContact CD1-CZ 3.81Å; F269-F273 HydrophobicContact CD1-CZ 3.81Å; F269-F273 AromaticContact CE1-CE2 3.89Å; F269-F273 HydrophobicContact CE1-CE2 3.89Å; F269-F273 AromaticContact CE1-CZ 3.53Å; F269-F273 HydrophobicContact CE1-CZ 3.53Å; F269-F273 HydrophobicContact CE2-CZ 4.36Å; F269-F273 HydrophobicContact CG-CZ 4.34Å; F269-F273 AromaticContact CZ-CZ 3.82Å; F269-F273 HydrophobicContact CZ-CZ 3.82Å
270N75.6Confident73.1Confident135 Ų13575.7 Ų75.772%0.72243%0.431SS*.Hα-helixtrans-70.3-30.6177.5-77.4-35.4000113.3I266 A267 L268 G272I266-N270 VanDerWaalsContact CG2-ND2 3.32Å; I266-N270 WeakPolarHBondContact CG2-ND2 3.37Å; I266-N270 VanDerWaalsContact O-CB 3.31Å; I266-N270 WeakPolarHBondContact O-CB 3.37Å; I266-N270 VanDerWaalsContact O-CG 3.29Å; I266-N270 PolarHBondContact O-N 2.95Å; I266-N270 PolarHBondContact O-ND2 3.02Å; I266-N270 VanDerWaalsContact O-ND2 3.1Å; A267-N270 PolarHBondContact O-N 3.02Å; L268-N270 PolarHBondContact O-N 3.3Å; N270-G272 PolarHBondContact O-N 3.35Å
271S73.3Confident72.5Confident50 Ų5074.2 Ų74.235%0.3543%0.429SS..THydrogen-bonded Turntrans-75.4-3172.580.70000112.7A267 L268 F273 D274A267-S271 PolarHBondContact O-N 3.49Å; L268-S271 PolarHBondContact O-N 2.88Å; L268-S271 PolarHBondContact O-OG 3.24Å; S271-F273 PolarHBondContact O-N 3.36Å; S271-D274 VanDerWaalsContact CB-OD1 3.29Å; S271-D274 WeakPolarHBondContact CB-OD1 3.25Å; S271-D274 PolarHBondContact O-N 2.96Å; S271-D274 VanDerWaalsContact O-N 3.14Å; S271-D274 PolarHBondContact OG-N 3.46Å; S271-D274 PolarHBondContact OG-OD1 3.01Å
272G68.7Low71.8Confident33 Ų3379.1 Ų79.134%0.3446%0.457SS..G310 helixtrans63.731.7-174.700000111.8L268 F269 N270 D274 E275L268-G272 PolarHBondContact O-N 3.1Å; F269-G272 PolarHBondContact O-N 3.11Å; F269-G272 VanDerWaalsContact O-N 3.15Å; N270-G272 PolarHBondContact O-N 3.35Å; G272-D274 PolarHBondContact O-N 3.49Å; G272-E275 PolarHBondContact O-N 3.09Å; G272-E275 VanDerWaalsContact O-N 3.16Å
273F66.3Low71Confident47 Ų4780.4 Ų80.421%0.20647%0.467CS..G310 helixtrans5631-172.2-55.2-94.8000113.7F185 L268 F269 S271 E275F185-F273 HydrophobicContact CB-CB 3.56Å; F185-F273 HydrophobicContact CB-CD1 4.01Å; F185-F273 HydrophobicContact CB-CD2 4.38Å; F185-F273 HydrophobicContact CB-CG 3.76Å; F185-F273 AromaticContact CD2-CD1 3.68Å; F185-F273 HydrophobicContact CD2-CD1 3.68Å; F185-F273 HydrophobicContact CD2-CE1 4.01Å; F185-F273 HydrophobicContact CD2-CG 4.31Å; F185-F273 HydrophobicContact CE2-CE1 4.46Å; F185-F273 HydrophobicContact CG-CD1 4.22Å; F185-F273 HydrophobicContact CG-CG 4.42Å; L268-F273 HydrophobicContact CD1-CD1 3.97Å; L268-F273 HydrophobicContact CD2-CD1 3.75Å; L268-F273 HydrophobicContact CD2-CE1 3.64Å; L268-F273 HydrophobicContact CG-CD1 3.58Å; L268-F273 HydrophobicContact CG-CE1 3.82Å; L268-F273 HydrophobicContact CG-CG 4.38Å; L268-F273 PolarHBondContact O-N 2.99Å; F269-F273 AromaticContact CD1-CE2 3.87Å; F269-F273 HydrophobicContact CD1-CE2 3.87Å; F269-F273 AromaticContact CD1-CZ 3.81Å; F269-F273 HydrophobicContact CD1-CZ 3.81Å; F269-F273 AromaticContact CE1-CE2 3.89Å; F269-F273 HydrophobicContact CE1-CE2 3.89Å; F269-F273 AromaticContact CE1-CZ 3.53Å; F269-F273 HydrophobicContact CE1-CZ 3.53Å; F269-F273 HydrophobicContact CE2-CZ 4.36Å; F269-F273 HydrophobicContact CG-CZ 4.34Å; F269-F273 AromaticContact CZ-CZ 3.82Å; F269-F273 HydrophobicContact CZ-CZ 3.82Å; S271-F273 PolarHBondContact O-N 3.36Å; F273-E275 PolarHBondContact O-N 3.05Å
274D61.8Low70.1Confident128 Ų12881.9 Ų81.968%0.68446%0.464SS*.G310 helixtrans60.926.1-177.3-50.8-29.3000113.9S271 G272 D276S271-D274 VanDerWaalsContact CB-OD1 3.29Å; S271-D274 WeakPolarHBondContact CB-OD1 3.25Å; S271-D274 PolarHBondContact O-N 2.96Å; S271-D274 VanDerWaalsContact O-N 3.14Å; S271-D274 PolarHBondContact OG-N 3.46Å; S271-D274 PolarHBondContact OG-OD1 3.01Å; G272-D274 PolarHBondContact O-N 3.49Å; D274-D276 PolarHBondContact O-N 2.91Å
275E52Low69.2Low110 Ų11085.5 Ų85.551%0.51448%0.476SS..  trans-78105.2166.5-69.4-161.3155.200110.9G272 F273G272-E275 PolarHBondContact O-N 3.09Å; G272-E275 VanDerWaalsContact O-N 3.16Å; F273-E275 PolarHBondContact O-N 3.05Å
276D40.2Very low68.3Low240 Ų24091.4 Ų91.4100%1.28351%0.507SS*.  trans-810161.4-82.4-32.3000112.2D274D274-D276 PolarHBondContact O-N 2.91Å

Retrieved 276 of 276 residues in 1716 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).