A0A077Z5L4_TRITR Loading...

Skp1-related protein

Probable essential component of SCF (SKP1-CUL1-F-box protein) E3 ubiquitin-protein ligase complexes, which mediate the ubiquitination and subsequent proteasomal degradation of target proteins. Regulates cell proliferation during embryonic and larval development.

AlphaFold DB , UniProt , Accession A0A077Z5L4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 164 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
1M48.2Very low85.3Confident236 Ų23677.8 Ų77.8100%1.16338%0.384SS*.  0122.80-75.2-164-8700106.3R3M1-R3 PolarHBondContact O-N 2.72Å
2S65.3Low86Confident60 Ų6075.5 Ų75.542%0.4240%0.395SS..  trans-67.8125.5172.5-167.20000108.1E18S2-E18 WeakPolarHBondContact CB-OE2 3.26Å; S2-E18 PolarHBondContact OG-OE2 2.97Å
3R80.5Confident86.8Confident131 Ų13177.7 Ų77.749%0.49440%0.402SS..  trans-76.8145.2-179.2-67.6177.4177.8164.4-5.3108.4M1 E18 A19 E39M1-R3 PolarHBondContact O-N 2.72Å; R3-E18 CarbonylContact O-C 3.53Å; R3-E18 WeakPolarHBondContact O-CA 3.38Å; R3-A19 HydrophobicContact CB-CB 4.21Å; R3-A19 PolarHBondContact O-N 3.11Å; R3-E39 WeakPolarHBondContact CD-OE2 3.46Å; R3-E39 IonicContact CZ-OE2 3.78Å; R3-E39 IonicContact NH1-OE2 2.75Å; R3-E39 PolarHBondContact NH1-OE2 2.83Å
4K86.7Confident87.3Confident114 Ų11477.9 Ų77.950%0.49641%0.408SS..EExtended strand (participates in β ladder)trans-126.2141.3-177.7-58.9-177.9-177.8-174.40111.4E16 V17K4-E16 HydrophobicContact CB-CG 3.84Å; K4-E16 HydrophobicContact CD-CG 3.77Å; K4-E16 WeakPolarHBondContact CD-OE1 3.43Å; K4-E16 WeakPolarHBondContact CE-OE1 3.41Å; K4-E16 HydrophobicContact CG-CG 4.5Å; K4-E16 IonicContact NZ-OE1 2.8Å; K4-E16 PolarHBondContact NZ-OE1 2.97Å; K4-V17 CarbonylContact C-O 3.49Å; K4-V17 WeakPolarHBondContact CA-O 3.42Å
5L88.5Confident87.8Confident8 Ų874.4 Ų74.44%0.04239%0.388CS..EExtended strand (participates in β ladder)trans-115.6157175.1-52.1170.7000109E16 V17 A19 L22 L32 L44L5-E16 WeakPolarHBondContact O-CA 3.46Å; L5-V17 PolarHBondContact N-O 3.27Å; L5-V17 PolarHBondContact O-N 3.45Å; L5-A19 HydrophobicContact CD1-CB 4.17Å; L5-A19 HydrophobicContact CG-CB 4.2Å; L5-L22 HydrophobicContact CB-CD1 3.62Å; L5-L22 HydrophobicContact CD1-CD1 3.86Å; L5-L22 HydrophobicContact CG-CD1 4.19Å; L5-L32 HydrophobicContact CD1-CD1 3.57Å; L5-L32 HydrophobicContact CD1-CD2 4.03Å; L5-L32 HydrophobicContact CD1-CG 4.43Å; L5-L44 HydrophobicContact CD2-CD2 3.78Å
6R91.6Very high88.1Confident109 Ų10977.3 Ų77.341%0.41140%0.399SS..EExtended strand (participates in β ladder)trans-102.4129.7176.1-67.1178.4-63.7-175.4-0.5109.6T14 F15 L44 P46 I47R6-T14 HydrophobicContact CB-CG2 4.13Å; R6-T14 HydrophobicContact CG-CG2 4.4Å; R6-F15 WeakPolarHBondContact CA-O 3.44Å; R6-L44 PolarHBondContact NH2-O 2.86Å; R6-P46 HydrophobicContact CB-CB 3.96Å; R6-P46 CarbonylContact O-C 3.56Å; R6-P46 WeakPolarHBondContact O-CA 3.08Å; R6-I47 PolarHBondContact O-N 3.39Å
7V93.2Very high88.3Confident0 Ų073.2 Ų73.20%038%0.379CS..EExtended strand (participates in β ladder)trans-119.4146171.6-60.40000108.7T14 F15 V17 L22 I47 L49 L57V7-T14 CarbonylContact O-C 3.57Å; V7-T14 WeakPolarHBondContact O-CA 3.46Å; V7-F15 HydrophobicContact CG2-CB 3.84Å; V7-F15 PolarHBondContact N-O 3.46Å; V7-F15 PolarHBondContact O-N 2.99Å; V7-V17 HydrophobicContact CG2-CG2 4.16Å; V7-L22 HydrophobicContact CG1-CD1 3.95Å; V7-L22 HydrophobicContact CG1-CD2 3.92Å; V7-I47 CarbonylContact C-O 3.52Å; V7-I47 WeakPolarHBondContact CA-O 3.38Å; V7-I47 HydrophobicContact CG1-CB 4.19Å; V7-I47 HydrophobicContact CG1-CD1 4.26Å; V7-L49 HydrophobicContact CB-CD1 4.04Å; V7-L49 HydrophobicContact CB-CG 4.4Å; V7-L49 HydrophobicContact CG1-CD1 4.38Å; V7-L49 HydrophobicContact CG2-CD1 4.43Å; V7-L57 HydrophobicContact CG2-CD2 3.98Å
8V95.6Very high88.4Confident29 Ų2972.8 Ų72.818%0.17638%0.375CS..EExtended strand (participates in β ladder)trans-118.4126.3179.7172.30000109.1E13 T14 P46 I47 L49V8-E13 CarbonylContact C-O 3.55Å; V8-E13 VanDerWaalsContact CA-O 3.31Å; V8-E13 WeakPolarHBondContact CA-O 3.42Å; V8-T14 HydrophobicContact CG2-CG2 4.09Å; V8-T14 WeakPolarHBondContact CG2-OG1 3.39Å; V8-P46 HydrophobicContact CG2-CB 3.58Å; V8-P46 HydrophobicContact CG2-CG 4.04Å; V8-I47 PolarHBondContact N-O 3.24Å; V8-L49 PolarHBondContact O-N 3.3Å
9S96.7Very high88.4Confident5 Ų569 Ų694%0.03536%0.355CS..EExtended strand (participates in β ladder)trans-72.4166.1175.859.30000112.2D11 G12 E13 V52S9-D11 WeakPolarHBondContact CB-OD1 3.47Å; S9-D11 PolarHBondContact O-N 3.4Å; S9-D11 PolarHBondContact OG-OD1 2.89Å; S9-G12 PolarHBondContact O-N 3.13Å; S9-E13 PolarHBondContact N-O 3.16Å; S9-E13 WeakPolarHBondContact OG-CB 3.44Å; S9-E13 PolarHBondContact OG-N 2.87Å; S9-E13 VanDerWaalsContact OG-N 3.08Å; S9-E13 PolarHBondContact OG-O 3.29Å; S9-V52 WeakPolarHBondContact CA-O 3.34Å; S9-V52 WeakPolarHBondContact CB-O 3.48Å
10S95.9Very high88.3Confident65 Ų6570.1 Ų70.146%0.45536%0.359SS..THydrogen-bonded Turntrans-60-26.2-179.967.10000114.2L49 M50 V52 N53S10-L49 PolarHBondContact N-O 3.39Å; S10-M50 WeakPolarHBondContact CB-O 3.5Å; S10-V52 PolarHBondContact N-O 3.37Å; S10-V52 PolarHBondContact OG-O 2.94Å; S10-N53 WeakPolarHBondContact OG-CA 3.4Å; S10-N53 PolarHBondContact OG-N 3.43Å
11D95.9Very high88.3Confident99 Ų9967 Ų6753%0.52934%0.343SS..THydrogen-bonded Turntrans-93.36.3176.651.5-8.2000113.5S9 A54S9-D11 WeakPolarHBondContact CB-OD1 3.47Å; S9-D11 PolarHBondContact O-N 3.4Å; S9-D11 PolarHBondContact OG-OD1 2.89Å; D11-A54 WeakPolarHBondContact OD1-CB 3.49Å; D11-A54 PolarHBondContact OD1-N 2.94Å; D11-A54 WeakPolarHBondContact OD2-CB 3.23Å; D11-A54 PolarHBondContact OD2-N 3.44Å
12G93.6Very high90.2Very high50 Ų5056.3 Ų56.352%0.51529%0.291SS..SBendtrans89.26.8168.900000115.6S9S9-G12 PolarHBondContact O-N 3.13Å
13E96.4Very high91.3Very high104 Ų10456.1 Ų56.149%0.48628%0.283SS..  trans-76.8135.3173.9-169.2173.7179.800110.3V8 S9 F15 A54V8-E13 CarbonylContact C-O 3.55Å; V8-E13 VanDerWaalsContact CA-O 3.31Å; V8-E13 WeakPolarHBondContact CA-O 3.42Å; S9-E13 PolarHBondContact N-O 3.16Å; S9-E13 WeakPolarHBondContact OG-CB 3.44Å; S9-E13 PolarHBondContact OG-N 2.87Å; S9-E13 VanDerWaalsContact OG-N 3.08Å; S9-E13 PolarHBondContact OG-O 3.29Å; E13-F15 HydrophobicContact CB-CE2 3.79Å; E13-F15 HydrophobicContact CB-CZ 4.18Å; E13-F15 VanDerWaalsContact CD-CZ 3.42Å; E13-F15 HydrophobicContact CG-CD2 4.44Å; E13-F15 HydrophobicContact CG-CE2 3.72Å; E13-F15 HydrophobicContact CG-CZ 3.76Å; E13-A54 HydrophobicContact CB-CB 3.9Å; E13-A54 WeakPolarHBondContact OE2-CB 3.36Å
14T94.9Very high91.8Very high80 Ų8052.2 Ų52.249%0.49127%0.27SS..EExtended strand (participates in β ladder)trans-101.2129.4179.4-53.30000110.2R6 V7 V8R6-T14 HydrophobicContact CB-CG2 4.13Å; R6-T14 HydrophobicContact CG-CG2 4.4Å; V7-T14 CarbonylContact O-C 3.57Å; V7-T14 WeakPolarHBondContact O-CA 3.46Å; V8-T14 HydrophobicContact CG2-CG2 4.09Å; V8-T14 WeakPolarHBondContact CG2-OG1 3.39Å
15F94.5Very high92Very high26 Ų2646.9 Ų46.911%0.11425%0.247CC..EExtended strand (participates in β ladder)trans-115.1132.9176.9-61.1-96.2000110.2R6 V7 E13 V17 A54 L57 K58 I61R6-F15 WeakPolarHBondContact CA-O 3.44Å; V7-F15 HydrophobicContact CG2-CB 3.84Å; V7-F15 PolarHBondContact N-O 3.46Å; V7-F15 PolarHBondContact O-N 2.99Å; E13-F15 HydrophobicContact CB-CE2 3.79Å; E13-F15 HydrophobicContact CB-CZ 4.18Å; E13-F15 VanDerWaalsContact CD-CZ 3.42Å; E13-F15 HydrophobicContact CG-CD2 4.44Å; E13-F15 HydrophobicContact CG-CE2 3.72Å; E13-F15 HydrophobicContact CG-CZ 3.76Å; F15-V17 HydrophobicContact CB-CG2 3.97Å; F15-A54 HydrophobicContact CE2-CB 4.13Å; F15-A54 HydrophobicContact CZ-CB 3.94Å; F15-L57 HydrophobicContact CD2-CD2 3.59Å; F15-L57 HydrophobicContact CD2-CG 4.16Å; F15-L57 HydrophobicContact CE2-CB 4.47Å; F15-L57 HydrophobicContact CE2-CD2 3.88Å; F15-L57 HydrophobicContact CE2-CG 4.33Å; F15-L57 HydrophobicContact CG-CD2 4.42Å; F15-K58 HydrophobicContact CE1-CB 4.09Å; F15-K58 HydrophobicContact CZ-CB 4.49Å; F15-I61 HydrophobicContact CB-CD1 3.75Å; F15-I61 HydrophobicContact CD1-CD1 3.93Å; F15-I61 HydrophobicContact CG-CD1 3.85Å
16E92.6Very high92.2Very high121 Ų12147.8 Ų47.857%0.56525%0.252SS*.EExtended strand (participates in β ladder)trans-98.5112172.2-166.8-172.6108.900108.5K4 L5K4-E16 HydrophobicContact CB-CG 3.84Å; K4-E16 HydrophobicContact CD-CG 3.77Å; K4-E16 WeakPolarHBondContact CD-OE1 3.43Å; K4-E16 WeakPolarHBondContact CE-OE1 3.41Å; K4-E16 HydrophobicContact CG-CG 4.5Å; K4-E16 IonicContact NZ-OE1 2.8Å; K4-E16 PolarHBondContact NZ-OE1 2.97Å; L5-E16 WeakPolarHBondContact O-CA 3.46Å
17V91.6Very high92.2Very high8 Ų845.6 Ų45.65%0.04825%0.251CS..EExtended strand (participates in β ladder)trans-126.4145.7-169.3-171.70000109.5K4 L5 V7 F15 C21 L22 I61K4-V17 CarbonylContact C-O 3.49Å; K4-V17 WeakPolarHBondContact CA-O 3.42Å; L5-V17 PolarHBondContact N-O 3.27Å; L5-V17 PolarHBondContact O-N 3.45Å; V7-V17 HydrophobicContact CG2-CG2 4.16Å; F15-V17 HydrophobicContact CB-CG2 3.97Å; V17-C21 HydrophobicContact CG1-CB 3.85Å; V17-L22 HydrophobicContact CB-CD1 4.03Å; V17-L22 HydrophobicContact CB-CD2 4.11Å; V17-L22 HydrophobicContact CB-CG 3.97Å; V17-L22 HydrophobicContact CG1-CD1 4.46Å; V17-L22 HydrophobicContact CG1-CD2 4Å; V17-L22 HydrophobicContact CG1-CG 3.87Å; V17-I61 HydrophobicContact CG1-CG1 4.3Å; V17-I61 HydrophobicContact CG1-CG2 3.85Å; V17-I61 HydrophobicContact CG2-CD1 3.45Å; V17-I61 VanDerWaalsContact CG2-CD1 3.45Å; V17-I61 HydrophobicContact CG2-CG1 3.76Å; V17-I61 HydrophobicContact CG2-CG2 4.03Å
18E90Very high92.1Very high65 Ų6545.9 Ų45.930%0.30425%0.253SS..EExtended strand (participates in β ladder)trans-60.6138.7175-56.6-162.3175.300111.2S2 R3 E20 C21 L22S2-E18 WeakPolarHBondContact CB-OE2 3.26Å; S2-E18 PolarHBondContact OG-OE2 2.97Å; R3-E18 CarbonylContact O-C 3.53Å; R3-E18 WeakPolarHBondContact O-CA 3.38Å; E18-E20 PolarHBondContact O-N 3.03Å; E18-C21 HydrophobicContact CB-CB 4.41Å; E18-C21 WeakPolarHBondContact O-CB 3.21Å; E18-C21 PolarHBondContact O-N 2.84Å; E18-C21 VanDerWaalsContact O-N 3.15Å; E18-L22 PolarHBondContact O-N 3.12Å; E18-L22 VanDerWaalsContact O-N 3.13Å
19A87.3Confident91.8Very high1 Ų148.5 Ų48.51%0.00826%0.259CS..Hα-helixtrans-59-38.1-178.800000111.2R3 L5 L22 K23R3-A19 HydrophobicContact CB-CB 4.21Å; R3-A19 PolarHBondContact O-N 3.11Å; L5-A19 HydrophobicContact CD1-CB 4.17Å; L5-A19 HydrophobicContact CG-CB 4.2Å; A19-L22 PolarHBondContact O-N 3.07Å; A19-L22 VanDerWaalsContact O-N 3.17Å; A19-K23 WeakPolarHBondContact O-CG 3.31Å; A19-K23 PolarHBondContact O-N 3.16Å
20E87Confident91.4Very high91 Ų9151 Ų5143%0.42528%0.275SS..Hα-helixtrans-65-39.7177.7-60-51.6128.500112.3E18 L22 K23 Y68E18-E20 PolarHBondContact O-N 3.03Å; E20-L22 VanDerWaalsContact C-N 3.31Å; E20-L22 PolarHBondContact O-N 3.3Å; E20-K23 PolarHBondContact O-N 3.34Å; E20-K23 IonicContact OE1-NZ 3.8Å; E20-K23 PolarHBondContact OE1-NZ 2.88Å; E20-K23 IonicContact OE2-NZ 2.68Å; E20-Y68 HydrophobicContact CB-CD2 4.12Å
21C89.1Confident91Very high5 Ų550.7 Ų50.73%0.03427%0.267CS..Hα-helixtrans-61.4-40.5172.4-640000111.6V17 E18 M24 C64V17-C21 HydrophobicContact CG1-CB 3.85Å; E18-C21 HydrophobicContact CB-CB 4.41Å; E18-C21 WeakPolarHBondContact O-CB 3.21Å; E18-C21 PolarHBondContact O-N 2.84Å; E18-C21 VanDerWaalsContact O-N 3.15Å; C21-M24 WeakPolarHBondContact O-CB 3.48Å; C21-M24 PolarHBondContact O-N 3.32Å; C21-C64 HydrophobicContact CB-CB 4.05Å; C21-C64 WeakPolarHBondContact O-CB 3.35Å
22L88.5Confident90.5Very high12 Ų1246.6 Ų46.66%0.06325%0.245CC..Hα-helixtrans-73.2-27.5179.4-67.5173.7000113.2L5 V7 V17 E18 A19 E20 M24 S25 I28L5-L22 HydrophobicContact CB-CD1 3.62Å; L5-L22 HydrophobicContact CD1-CD1 3.86Å; L5-L22 HydrophobicContact CG-CD1 4.19Å; V7-L22 HydrophobicContact CG1-CD1 3.95Å; V7-L22 HydrophobicContact CG1-CD2 3.92Å; V17-L22 HydrophobicContact CB-CD1 4.03Å; V17-L22 HydrophobicContact CB-CD2 4.11Å; V17-L22 HydrophobicContact CB-CG 3.97Å; V17-L22 HydrophobicContact CG1-CD1 4.46Å; V17-L22 HydrophobicContact CG1-CD2 4Å; V17-L22 HydrophobicContact CG1-CG 3.87Å; E18-L22 PolarHBondContact O-N 3.12Å; E18-L22 VanDerWaalsContact O-N 3.13Å; A19-L22 PolarHBondContact O-N 3.07Å; A19-L22 VanDerWaalsContact O-N 3.17Å; E20-L22 VanDerWaalsContact C-N 3.31Å; E20-L22 PolarHBondContact O-N 3.3Å; L22-M24 PolarHBondContact O-N 3.45Å; L22-S25 VanDerWaalsContact O-CB 3.3Å; L22-S25 WeakPolarHBondContact O-CB 3.34Å; L22-S25 PolarHBondContact O-N 2.96Å; L22-I28 HydrophobicContact CB-CD1 4.45Å; L22-I28 HydrophobicContact CB-CG2 4.12Å; L22-I28 HydrophobicContact CD2-CD1 3.89Å
23K88.4Confident90.1Very high56 Ų5649.8 Ų49.824%0.24325%0.246CC..Hα-helixtrans-66.8-14.5175.5-77.5171.8-174.6167.30114.1A19 E20 S25 R29 E39A19-K23 WeakPolarHBondContact O-CG 3.31Å; A19-K23 PolarHBondContact O-N 3.16Å; E20-K23 PolarHBondContact O-N 3.34Å; E20-K23 IonicContact OE1-NZ 3.8Å; E20-K23 PolarHBondContact OE1-NZ 2.88Å; E20-K23 IonicContact OE2-NZ 2.68Å; K23-S25 PolarHBondContact O-N 2.85Å; K23-R29 PolarHBondContact O-NH1 3.19Å; K23-E39 WeakPolarHBondContact CE-OE1 3.46Å; K23-E39 IonicContact NZ-OE1 3.97Å; K23-E39 PolarHBondContact NZ-OE1 3.22Å; K23-E39 IonicContact NZ-OE2 3.53Å
24M89.1Confident89.5Confident48 Ų4850.7 Ų50.724%0.23626%0.255CS..THydrogen-bonded Turntrans-63.1-26.9168.3-64-163.581.200112.3C21 L22 W63 C64 H67C21-M24 WeakPolarHBondContact O-CB 3.48Å; C21-M24 PolarHBondContact O-N 3.32Å; L22-M24 PolarHBondContact O-N 3.45Å; M24-W63 HydrophobicContact CE-CE3 4.43Å; M24-W63 HydrophobicContact CE-CH2 4Å; M24-W63 HydrophobicContact CE-CZ3 3.49Å; M24-W63 VanDerWaalsContact CE-CZ3 3.49Å; M24-W63 HydrophobicContact SD-CZ3 4.14Å; M24-C64 VanDerWaalsContact SD-CA 3.55Å; M24-C64 HydrophobicContact SD-CB 3.84Å; M24-H67 HydrophobicContact CE-CB 3.75Å; M24-H67 HydrophobicContact SD-CB 4.28Å
25S92.6Very high88.7Confident2 Ų252.2 Ų52.21%0.01426%0.259CS..SBendtrans-78.6117.2168.51670000109.1L22 K23 T27 I28 R29 L112L22-S25 VanDerWaalsContact O-CB 3.3Å; L22-S25 WeakPolarHBondContact O-CB 3.34Å; L22-S25 PolarHBondContact O-N 2.96Å; K23-S25 PolarHBondContact O-N 2.85Å; S25-T27 PolarHBondContact O-N 3.02Å; S25-T27 PolarHBondContact OG-N 3.15Å; S25-I28 PolarHBondContact O-N 2.9Å; S25-I28 WeakPolarHBondContact OG-CG1 3.37Å; S25-I28 PolarHBondContact OG-N 3.49Å; S25-R29 VanDerWaalsContact O-CB 3.31Å; S25-R29 WeakPolarHBondContact O-CB 3.3Å; S25-R29 PolarHBondContact O-N 2.96Å; S25-L112 WeakPolarHBondContact CA-O 3.23Å; S25-L112 VanDerWaalsContact CB-O 3.24Å; S25-L112 WeakPolarHBondContact CB-O 3.46Å; S25-L112 PolarHBondContact OG-O 3.2Å
26N92.7Very high87.5Confident27 Ų2756.3 Ų56.314%0.14429%0.289CS..Hα-helixtrans-63.5-36.4173.5-61.4-36.8000110.6I28 R29 T30 D113N26-I28 PolarHBondContact O-N 2.74Å; N26-R29 PolarHBondContact O-N 3.21Å; N26-R29 PolarHBondContact OD1-NH1 3.24Å; N26-R29 PolarHBondContact OD1-NH2 3.24Å; N26-T30 WeakPolarHBondContact O-CB 3.32Å; N26-T30 PolarHBondContact O-N 2.85Å; N26-T30 PolarHBondContact O-OG1 2.93Å; N26-T30 VanDerWaalsContact O-OG1 3.12Å; N26-D113 HydrophobicContact CB-CB 4Å; N26-D113 WeakPolarHBondContact CB-OD2 3.41Å; N26-D113 PolarHBondContact N-O 3.28Å; N26-D113 PolarHBondContact ND2-O 3.48Å; N26-D113 PolarHBondContact ND2-OD1 2.87Å; N26-D113 PolarHBondContact ND2-OD2 3.29Å
27T91.4Very high86.3Confident64 Ų6452.1 Ų52.139%0.39327%0.271SS..Hα-helixtrans-57.1-51176.5-55.50000111.7S25 M31 Y111 L112S25-T27 PolarHBondContact O-N 3.02Å; S25-T27 PolarHBondContact OG-N 3.15Å; T27-M31 WeakPolarHBondContact O-CB 3.29Å; T27-M31 PolarHBondContact O-N 3.3Å; T27-M31 VanDerWaalsContact O-N 3.13Å; T27-Y111 PolarHBondContact OG1-O 2.79Å; T27-L112 PolarHBondContact OG1-O 3.01Å
28I89.9Confident85Confident5 Ų555.7 Ų55.73%0.02629%0.289CS..Hα-helixtrans-69.7-41-179.8-63173.9000110.5L22 S25 N26 M31 L32 I47 L112L22-I28 HydrophobicContact CB-CD1 4.45Å; L22-I28 HydrophobicContact CB-CG2 4.12Å; L22-I28 HydrophobicContact CD2-CD1 3.89Å; S25-I28 PolarHBondContact O-N 2.9Å; S25-I28 WeakPolarHBondContact OG-CG1 3.37Å; S25-I28 PolarHBondContact OG-N 3.49Å; N26-I28 PolarHBondContact O-N 2.74Å; I28-M31 PolarHBondContact O-N 3.06Å; I28-L32 HydrophobicContact CG2-CD1 3.95Å; I28-L32 HydrophobicContact CG2-CG 4.29Å; I28-L32 WeakPolarHBondContact O-CG 3.46Å; I28-L32 PolarHBondContact O-N 3.01Å; I28-I47 HydrophobicContact CG2-CD1 4.12Å; I28-L112 HydrophobicContact CD1-CD2 4.3Å
29R89.4Confident83.5Confident84 Ų8454.6 Ų54.632%0.31728%0.284SS..Hα-helixtrans-58.1-51.9177.9-174.1-179.167.1-122.3-3.7111.7K23 S25 N26 M31 L32 E33K23-R29 PolarHBondContact O-NH1 3.19Å; S25-R29 VanDerWaalsContact O-CB 3.31Å; S25-R29 WeakPolarHBondContact O-CB 3.3Å; S25-R29 PolarHBondContact O-N 2.96Å; N26-R29 PolarHBondContact O-N 3.21Å; N26-R29 PolarHBondContact OD1-NH1 3.24Å; N26-R29 PolarHBondContact OD1-NH2 3.24Å; R29-M31 VanDerWaalsContact C-N 3.3Å; R29-M31 PolarHBondContact O-N 2.72Å; R29-L32 PolarHBondContact O-N 3.37Å; R29-E33 WeakPolarHBondContact CG-OE1 2.98Å; R29-E33 WeakPolarHBondContact O-CG 3.31Å; R29-E33 PolarHBondContact O-N 3.1Å
30T89.2Confident82.2Confident59 Ų5958.2 Ų58.236%0.36231%0.309SS..Hα-helixtrans-61.3-39.5178.9-63.40000111.6N26 L32 E33 D34N26-T30 WeakPolarHBondContact O-CB 3.32Å; N26-T30 PolarHBondContact O-N 2.85Å; N26-T30 PolarHBondContact O-OG1 2.93Å; N26-T30 VanDerWaalsContact O-OG1 3.12Å; T30-L32 PolarHBondContact O-N 3Å; T30-E33 PolarHBondContact O-N 3.39Å; T30-D34 WeakPolarHBondContact O-CB 3.15Å; T30-D34 VanDerWaalsContact O-CG 3.32Å; T30-D34 PolarHBondContact O-N 2.94Å
31M87Confident80.9Confident57 Ų5759.8 Ų59.828%0.28132%0.317SS..Hα-helixtrans-62.7-41.6176.1-178.2-164.575.700112.7T27 I28 R29 L35 I47T27-M31 WeakPolarHBondContact O-CB 3.29Å; T27-M31 PolarHBondContact O-N 3.3Å; T27-M31 VanDerWaalsContact O-N 3.13Å; I28-M31 PolarHBondContact O-N 3.06Å; R29-M31 VanDerWaalsContact C-N 3.3Å; R29-M31 PolarHBondContact O-N 2.72Å; M31-L35 HydrophobicContact CG-CD1 3.81Å; M31-L35 WeakPolarHBondContact O-CB 3.09Å; M31-L35 WeakPolarHBondContact O-CG 3.33Å; M31-L35 PolarHBondContact O-N 3.34Å; M31-L35 VanDerWaalsContact O-N 3.13Å; M31-I47 HydrophobicContact CE-CB 4.25Å; M31-I47 HydrophobicContact CE-CD1 3.44Å; M31-I47 VanDerWaalsContact CE-CD1 3.44Å; M31-I47 HydrophobicContact CE-CG1 3.5Å; M31-I47 HydrophobicContact CE-CG2 3.73Å; M31-I47 HydrophobicContact SD-CG2 3.99Å
32L85.7Confident79.3Confident13 Ų1364.2 Ų64.27%0.06835%0.354CS..Hα-helixtrans-66.3-40.1176.9-68.4170.2000111.7L5 I28 R29 T30 I37 L44L5-L32 HydrophobicContact CD1-CD1 3.57Å; L5-L32 HydrophobicContact CD1-CD2 4.03Å; L5-L32 HydrophobicContact CD1-CG 4.43Å; I28-L32 HydrophobicContact CG2-CD1 3.95Å; I28-L32 HydrophobicContact CG2-CG 4.29Å; I28-L32 WeakPolarHBondContact O-CG 3.46Å; I28-L32 PolarHBondContact O-N 3.01Å; R29-L32 PolarHBondContact O-N 3.37Å; T30-L32 PolarHBondContact O-N 3Å; L32-I37 HydrophobicContact CD2-CB 4.2Å; L32-I37 HydrophobicContact CD2-CD1 4.09Å; L32-I37 HydrophobicContact CD2-CG2 4.04Å; L32-I37 PolarHBondContact O-N 2.89Å; L32-L44 HydrophobicContact CD2-CD2 4.38Å
33E85.8Confident78Confident118 Ų11871.8 Ų71.855%0.55139%0.389SS*.Hα-helixtrans-64.6-48.5176.5-71.4169175.600111.7R29 T30 C36R29-E33 WeakPolarHBondContact CG-OE1 2.98Å; R29-E33 WeakPolarHBondContact O-CG 3.31Å; R29-E33 PolarHBondContact O-N 3.1Å; T30-E33 PolarHBondContact O-N 3.39Å; E33-C36 PolarHBondContact O-N 2.71Å
34D82.5Confident77.1Confident123 Ų12370.7 Ų70.766%0.65839%0.385SS*.Hα-helixtrans-68.7-40.5-175.6-77.3-16.1000112.9T30 C36T30-D34 WeakPolarHBondContact O-CB 3.15Å; T30-D34 VanDerWaalsContact O-CG 3.32Å; T30-D34 PolarHBondContact O-N 2.94Å; D34-C36 PolarHBondContact O-N 2.81Å
35L78.5Confident76.8Confident112 Ų11276.2 Ų76.259%0.58641%0.411SS*.THydrogen-bonded Turntrans-78.10.7-179.4-65.9176.4000112.7M31 I37M31-L35 HydrophobicContact CG-CD1 3.81Å; M31-L35 WeakPolarHBondContact O-CB 3.09Å; M31-L35 WeakPolarHBondContact O-CG 3.33Å; M31-L35 PolarHBondContact O-N 3.34Å; M31-L35 VanDerWaalsContact O-N 3.13Å; L35-I37 HydrophobicContact CB-CD1 3.54Å; L35-I37 HydrophobicContact CB-CG1 3.58Å; L35-I37 HydrophobicContact CD1-CD1 3.54Å; L35-I37 HydrophobicContact CD1-CG1 4.43Å; L35-I37 HydrophobicContact CG-CD1 4.17Å; L35-I37 PolarHBondContact O-N 3.4Å
36C69.5Low76.6Confident111 Ų11178.7 Ų78.775%0.7543%0.427SS*.THydrogen-bonded Turntrans46.735.7-172.5-62.90000111.2E33 D34 D38E33-C36 PolarHBondContact O-N 2.71Å; D34-C36 PolarHBondContact O-N 2.81Å; C36-D38 PolarHBondContact O-N 2.93Å
37I66.3Low76.5Confident33 Ų3378 Ų7817%0.16942%0.423CS..  trans-67.8106.9-179.6-73.9160.2000105.7L32 L35 E39 L44L32-I37 HydrophobicContact CD2-CB 4.2Å; L32-I37 HydrophobicContact CD2-CD1 4.09Å; L32-I37 HydrophobicContact CD2-CG2 4.04Å; L32-I37 PolarHBondContact O-N 2.89Å; L35-I37 HydrophobicContact CB-CD1 3.54Å; L35-I37 HydrophobicContact CB-CG1 3.58Å; L35-I37 HydrophobicContact CD1-CD1 3.54Å; L35-I37 HydrophobicContact CD1-CG1 4.43Å; L35-I37 HydrophobicContact CG-CD1 4.17Å; L35-I37 PolarHBondContact O-N 3.4Å; I37-E39 PolarHBondContact O-N 3.49Å; I37-L44 HydrophobicContact CB-CD1 4.22Å; I37-L44 HydrophobicContact CD1-CD1 3.71Å; I37-L44 HydrophobicContact CG1-CD1 3.75Å; I37-L44 HydrophobicContact CG2-CD1 3.38Å; I37-L44 HydrophobicContact CG2-CD2 3.68Å; I37-L44 HydrophobicContact CG2-CG 4.08Å
38D64.2Low76.5Confident83 Ų8379 Ų7944%0.44443%0.43SS..  trans-64.5113.9166.5-165.2-18.9000106.8C36 S40 Q41C36-D38 PolarHBondContact O-N 2.93Å; D38-S40 PolarHBondContact O-N 3.13Å; D38-S40 VanDerWaalsContact OD1-CB 3.31Å; D38-S40 WeakPolarHBondContact OD1-CB 3.3Å; D38-S40 PolarHBondContact OD1-N 3.37Å; D38-S40 PolarHBondContact OD1-OG 3.25Å; D38-S40 VanDerWaalsContact OD1-OG 3.09Å; D38-S40 PolarHBondContact OD2-OG 3.24Å; D38-S40 VanDerWaalsContact OD2-OG 3.1Å; D38-Q41 HydrophobicContact CB-CG 4.27Å; D38-Q41 PolarHBondContact O-N 3.29Å
39E60.4Low76.7Confident43 Ų4379.1 Ų79.120%0.20143%0.431CS..THydrogen-bonded Turntrans-53.6-14.2173.7-56.8174.9151.100112R3 K23 I37R3-E39 WeakPolarHBondContact CD-OE2 3.46Å; R3-E39 IonicContact CZ-OE2 3.78Å; R3-E39 IonicContact NH1-OE2 2.75Å; R3-E39 PolarHBondContact NH1-OE2 2.83Å; K23-E39 WeakPolarHBondContact CE-OE1 3.46Å; K23-E39 IonicContact NZ-OE1 3.97Å; K23-E39 PolarHBondContact NZ-OE1 3.22Å; K23-E39 IonicContact NZ-OE2 3.53Å; I37-E39 PolarHBondContact O-N 3.49Å
40S59.1Low76.8Confident76 Ų7681.9 Ų81.953%0.53145%0.449SS..THydrogen-bonded Turntrans-77.9-11.8173.582.50000115.1D38 A42D38-S40 PolarHBondContact O-N 3.13Å; D38-S40 VanDerWaalsContact OD1-CB 3.31Å; D38-S40 WeakPolarHBondContact OD1-CB 3.3Å; D38-S40 PolarHBondContact OD1-N 3.37Å; D38-S40 PolarHBondContact OD1-OG 3.25Å; D38-S40 VanDerWaalsContact OD1-OG 3.09Å; D38-S40 PolarHBondContact OD2-OG 3.24Å; D38-S40 VanDerWaalsContact OD2-OG 3.1Å; S40-A42 PolarHBondContact O-N 3.21Å; S40-A42 VanDerWaalsContact O-N 3.16Å
41Q59.6Low77Confident125 Ų12584.6 Ų84.658%0.58446%0.462SS*.  trans-75.6106.7179.3-63.8-153.916.300110.5D38 E43 L44D38-Q41 HydrophobicContact CB-CG 4.27Å; D38-Q41 PolarHBondContact O-N 3.29Å; Q41-E43 PolarHBondContact O-N 2.7Å; Q41-L44 PolarHBondContact O-N 3.09Å; Q41-L44 VanDerWaalsContact O-N 3.15Å
42A56.5Low77.4Confident97 Ų9782 Ų8280%0.80245%0.449SS*.THydrogen-bonded Turntrans-57.8-18.1172.300000113.2S40S40-A42 PolarHBondContact O-N 3.21Å; S40-A42 VanDerWaalsContact O-N 3.16Å
43E60.5Low77.9Confident171 Ų17183.3 Ų83.380%0.79946%0.456SS*.THydrogen-bonded Turntrans-96.820.8179.6-59.4-158.8166.400113.9Q41 E45Q41-E43 PolarHBondContact O-N 2.7Å; E43-E45 PolarHBondContact O-N 3.28Å; E43-E45 VanDerWaalsContact O-N 3.16Å
44L70.4Confident78.4Confident34 Ų3477.9 Ų77.918%0.17843%0.431CS..PPolyproline II helixtrans-62.5124.8172.2-167.565.3000110.4L5 R6 L32 I37 Q41L5-L44 HydrophobicContact CD2-CD2 3.78Å; R6-L44 PolarHBondContact NH2-O 2.86Å; L32-L44 HydrophobicContact CD2-CD2 4.38Å; I37-L44 HydrophobicContact CB-CD1 4.22Å; I37-L44 HydrophobicContact CD1-CD1 3.71Å; I37-L44 HydrophobicContact CG1-CD1 3.75Å; I37-L44 HydrophobicContact CG2-CD1 3.38Å; I37-L44 HydrophobicContact CG2-CD2 3.68Å; I37-L44 HydrophobicContact CG2-CG 4.08Å; Q41-L44 PolarHBondContact O-N 3.09Å; Q41-L44 VanDerWaalsContact O-N 3.15Å
45E82Confident79.1Confident164 Ų16476.7 Ų76.777%0.76643%0.428SS*.PPolyproline II helixtrans-59.7138.7171.2-70.7-171.3171.100109.8E43 I47E43-E45 PolarHBondContact O-N 3.28Å; E43-E45 VanDerWaalsContact O-N 3.16Å; E45-I47 PolarHBondContact O-N 3.5Å
46P87.7Confident80Confident54 Ų5471.5 Ų71.535%0.35140%0.401SS..PPolyproline II helixtrans-63135.2-179.926.6-33.4000110.9R6 V8 P48R6-P46 HydrophobicContact CB-CB 3.96Å; R6-P46 CarbonylContact O-C 3.56Å; R6-P46 WeakPolarHBondContact O-CA 3.08Å; V8-P46 HydrophobicContact CG2-CB 3.58Å; V8-P46 HydrophobicContact CG2-CG 4.04Å; P46-P48 VanDerWaalsContact O-CD 3.26Å; P46-P48 WeakPolarHBondContact O-CD 3.29Å
47I90.4Very high81.3Confident13 Ų1366.3 Ų66.37%0.06737%0.366CS..EExtended strand (participates in β ladder)trans-74.8115.3-178-55.3160.9000108.8R6 V7 V8 I28 M31 E45 L49R6-I47 PolarHBondContact O-N 3.39Å; V7-I47 CarbonylContact C-O 3.52Å; V7-I47 WeakPolarHBondContact CA-O 3.38Å; V7-I47 HydrophobicContact CG1-CB 4.19Å; V7-I47 HydrophobicContact CG1-CD1 4.26Å; V8-I47 PolarHBondContact N-O 3.24Å; I28-I47 HydrophobicContact CG2-CD1 4.12Å; M31-I47 HydrophobicContact CE-CB 4.25Å; M31-I47 HydrophobicContact CE-CD1 3.44Å; M31-I47 VanDerWaalsContact CE-CD1 3.44Å; M31-I47 HydrophobicContact CE-CG1 3.5Å; M31-I47 HydrophobicContact CE-CG2 3.73Å; M31-I47 HydrophobicContact SD-CG2 3.99Å; E45-I47 PolarHBondContact O-N 3.5Å; I47-L49 HydrophobicContact CG2-CD2 4.12Å; I47-L49 PolarHBondContact O-N 2.89Å
48P92.5Very high82.8Confident84 Ų8471.4 Ų71.455%0.54539%0.387SS..EExtended strand (participates in β ladder)trans-80118.8-178.931.3-32.2000111.3P46 M50P46-P48 VanDerWaalsContact O-CD 3.26Å; P46-P48 WeakPolarHBondContact O-CD 3.29Å; P48-M50 HydrophobicContact CB-CG 4.45Å; P48-M50 PolarHBondContact O-N 3.39Å
49L93.4Very high84.3Confident7 Ų769.8 Ų69.84%0.03738%0.376CS..EExtended strand (participates in β ladder)trans-101.773.1176-58.4-176.5000109.9V7 V8 S10 I47 N51 V52 L57 Y111 L112V7-L49 HydrophobicContact CB-CD1 4.04Å; V7-L49 HydrophobicContact CB-CG 4.4Å; V7-L49 HydrophobicContact CG1-CD1 4.38Å; V7-L49 HydrophobicContact CG2-CD1 4.43Å; V8-L49 PolarHBondContact O-N 3.3Å; S10-L49 PolarHBondContact N-O 3.39Å; I47-L49 HydrophobicContact CG2-CD2 4.12Å; I47-L49 PolarHBondContact O-N 2.89Å; L49-N51 PolarHBondContact O-N 3.06Å; L49-V52 HydrophobicContact CB-CB 4.47Å; L49-V52 PolarHBondContact O-N 2.87Å; L49-V52 VanDerWaalsContact O-N 3.11Å; L49-L57 HydrophobicContact CD1-CD1 3.58Å; L49-L57 HydrophobicContact CD1-CD2 4.08Å; L49-Y111 HydrophobicContact CD2-CE1 4.44Å; L49-L112 HydrophobicContact CD1-CD2 4.15Å; L49-L112 HydrophobicContact CD2-CD2 3.78Å
50M91.9Very high86.1Confident143 Ų14368 Ų6870%0.70437%0.367SS*.THydrogen-bonded Turntrans-61.2-18.6-170.2-60.4179.568.900115.3S10 P48S10-M50 WeakPolarHBondContact CB-O 3.5Å; P48-M50 HydrophobicContact CB-CG 4.45Å; P48-M50 PolarHBondContact O-N 3.39Å
51N92.3Very high87.8Confident116 Ų11665.8 Ų65.862%0.6235%0.349SS*.THydrogen-bonded Turntrans-104.17.8-177.7-63.9-36000113.5L49 Y111L49-N51 PolarHBondContact O-N 3.06Å; N51-Y111 HydrophobicContact CB-CD1 4.12Å; N51-Y111 HydrophobicContact CB-CD2 4.16Å; N51-Y111 HydrophobicContact CB-CE1 4.14Å; N51-Y111 HydrophobicContact CB-CE2 4.17Å; N51-Y111 HydrophobicContact CB-CG 4.14Å; N51-Y111 WeakPolarHBondContact ND2-CD2 3.45Å; N51-Y111 WeakPolarHBondContact ND2-CE2 3.37Å
52V95.7Very high89.5Confident2 Ų264.6 Ų64.61%0.01234%0.344CS..  trans-130.5116.7-177.9-167.90000109.5S9 S10 L49 I56 L57 A108 Y111S9-V52 WeakPolarHBondContact CA-O 3.34Å; S9-V52 WeakPolarHBondContact CB-O 3.48Å; S10-V52 PolarHBondContact N-O 3.37Å; S10-V52 PolarHBondContact OG-O 2.94Å; L49-V52 HydrophobicContact CB-CB 4.47Å; L49-V52 PolarHBondContact O-N 2.87Å; L49-V52 VanDerWaalsContact O-N 3.11Å; V52-I56 HydrophobicContact CG1-CB 4.05Å; V52-I56 HydrophobicContact CG1-CG2 3.88Å; V52-L57 HydrophobicContact CG1-CB 3.82Å; V52-L57 HydrophobicContact CG1-CD1 4.42Å; V52-A108 HydrophobicContact CG1-CB 3.94Å; V52-A108 HydrophobicContact CG2-CB 3.93Å; V52-Y111 HydrophobicContact CG2-CD1 3.8Å; V52-Y111 HydrophobicContact CG2-CE1 4.26Å
53N96.4Very high91.4Very high41 Ų4160.1 Ų60.122%0.21931%0.306CS..  trans-71.6162.9174.97155.3000111.3S10 V55 I56 L57 E104S10-N53 WeakPolarHBondContact OG-CA 3.4Å; S10-N53 PolarHBondContact OG-N 3.43Å; N53-V55 VanDerWaalsContact C-N 3.31Å; N53-V55 PolarHBondContact O-N 3.42Å; N53-V55 WeakPolarHBondContact OD1-CB 3.44Å; N53-V55 PolarHBondContact OD1-N 3.15Å; N53-I56 PolarHBondContact O-N 3.02Å; N53-I56 WeakPolarHBondContact OD1-CG1 3.08Å; N53-I56 PolarHBondContact OD1-N 3.41Å; N53-L57 VanDerWaalsContact O-CB 3.28Å; N53-L57 WeakPolarHBondContact O-CB 3.44Å; N53-L57 PolarHBondContact O-N 3.06Å; N53-E104 PolarHBondContact ND2-OE2 3.38Å; N53-E104 VanDerWaalsContact ND2-OE2 3.09Å
54A96.8Very high93Very high4 Ų452.2 Ų52.23%0.03327%0.27CS..Hα-helixtrans-57.2-40.5-17700000114D11 E13 F15 I56 L57 K58D11-A54 WeakPolarHBondContact OD1-CB 3.49Å; D11-A54 PolarHBondContact OD1-N 2.94Å; D11-A54 WeakPolarHBondContact OD2-CB 3.23Å; D11-A54 PolarHBondContact OD2-N 3.44Å; E13-A54 HydrophobicContact CB-CB 3.9Å; E13-A54 WeakPolarHBondContact OE2-CB 3.36Å; F15-A54 HydrophobicContact CE2-CB 4.13Å; F15-A54 HydrophobicContact CZ-CB 3.94Å; A54-I56 PolarHBondContact O-N 3.24Å; A54-L57 PolarHBondContact O-N 3.38Å; A54-K58 WeakPolarHBondContact O-CB 3.47Å; A54-K58 PolarHBondContact O-N 3.25Å
55V96.8Very high94.1Very high98 Ų9853 Ų5359%0.59428%0.281SS*.Hα-helixtrans-63.2-45.7-177.41780000110.7N53 K59N53-V55 VanDerWaalsContact C-N 3.31Å; N53-V55 PolarHBondContact O-N 3.42Å; N53-V55 WeakPolarHBondContact OD1-CB 3.44Å; N53-V55 PolarHBondContact OD1-N 3.15Å; V55-K59 PolarHBondContact O-N 3.04Å
56I97.7Very high94.5Very high2 Ų250.3 Ų50.31%0.0127%0.265CS..Hα-helixtrans-72.7-42.5178.8-59.9-62.5000110.6V52 N53 A54 K58 K59 V60 T101 E104 L105 A108V52-I56 HydrophobicContact CG1-CB 4.05Å; V52-I56 HydrophobicContact CG1-CG2 3.88Å; N53-I56 PolarHBondContact O-N 3.02Å; N53-I56 WeakPolarHBondContact OD1-CG1 3.08Å; N53-I56 PolarHBondContact OD1-N 3.41Å; A54-I56 PolarHBondContact O-N 3.24Å; I56-K58 VanDerWaalsContact C-N 3.29Å; I56-K58 PolarHBondContact O-N 2.93Å; I56-K59 WeakPolarHBondContact O-CB 3.38Å; I56-K59 PolarHBondContact O-N 3.36Å; I56-V60 HydrophobicContact CG2-CG2 4.32Å; I56-V60 WeakPolarHBondContact O-CG2 3.34Å; I56-V60 PolarHBondContact O-N 3.25Å; I56-T101 HydrophobicContact CD1-CG2 3.87Å; I56-E104 HydrophobicContact CD1-CB 3.51Å; I56-E104 HydrophobicContact CD1-CG 4.48Å; I56-E104 VanDerWaalsContact CD1-OE2 3.29Å; I56-E104 WeakPolarHBondContact CD1-OE2 3.36Å; I56-E104 HydrophobicContact CG1-CB 3.7Å; I56-E104 WeakPolarHBondContact CG1-OE2 3.43Å; I56-E104 HydrophobicContact CG2-CB 4.5Å; I56-L105 HydrophobicContact CD1-CG 4.44Å; I56-L105 HydrophobicContact CG2-CD2 4.07Å; I56-A108 HydrophobicContact CG2-CB 3.64Å
57L97Very high94.7Very high3 Ų348.1 Ų48.12%0.01625%0.25CC..Hα-helixtrans-58.9-42.7178.4-17653.9000111.3V7 F15 L49 V52 N53 A54 K59 V60 I61V7-L57 HydrophobicContact CG2-CD2 3.98Å; F15-L57 HydrophobicContact CD2-CD2 3.59Å; F15-L57 HydrophobicContact CD2-CG 4.16Å; F15-L57 HydrophobicContact CE2-CB 4.47Å; F15-L57 HydrophobicContact CE2-CD2 3.88Å; F15-L57 HydrophobicContact CE2-CG 4.33Å; F15-L57 HydrophobicContact CG-CD2 4.42Å; L49-L57 HydrophobicContact CD1-CD1 3.58Å; L49-L57 HydrophobicContact CD1-CD2 4.08Å; V52-L57 HydrophobicContact CG1-CB 3.82Å; V52-L57 HydrophobicContact CG1-CD1 4.42Å; N53-L57 VanDerWaalsContact O-CB 3.28Å; N53-L57 WeakPolarHBondContact O-CB 3.44Å; N53-L57 PolarHBondContact O-N 3.06Å; A54-L57 PolarHBondContact O-N 3.38Å; L57-K59 VanDerWaalsContact C-N 3.3Å; L57-K59 PolarHBondContact O-N 3.32Å; L57-V60 PolarHBondContact O-N 3.09Å; L57-I61 HydrophobicContact CD1-CD1 4.16Å; L57-I61 HydrophobicContact CD1-CG1 4.3Å; L57-I61 HydrophobicContact CG-CD1 3.88Å; L57-I61 HydrophobicContact CG-CG1 4.5Å; L57-I61 WeakPolarHBondContact O-CD1 3.09Å; L57-I61 VanDerWaalsContact O-CG1 3.23Å; L57-I61 WeakPolarHBondContact O-CG1 3.29Å; L57-I61 PolarHBondContact O-N 2.95Å
58K96.9Very high94.5Very high140 Ų14051.5 Ų51.561%0.60926%0.262SS*.Hα-helixtrans-59.2-39.8175.2-175174.4-178173.90112.6F15 A54 I56 Q62F15-K58 HydrophobicContact CE1-CB 4.09Å; F15-K58 HydrophobicContact CZ-CB 4.49Å; A54-K58 WeakPolarHBondContact O-CB 3.47Å; A54-K58 PolarHBondContact O-N 3.25Å; I56-K58 VanDerWaalsContact C-N 3.29Å; I56-K58 PolarHBondContact O-N 2.93Å; K58-Q62 WeakPolarHBondContact O-CB 3.4Å; K58-Q62 PolarHBondContact O-N 2.87Å
59K97.2Very high94Very high49 Ų4953.4 Ų53.421%0.21327%0.268CS..Hα-helixtrans-69-43.2175.4-80.2-177.1161.4-720111.9V55 I56 L57 I61 Q62 W63 F94 V97 T101 L105V55-K59 PolarHBondContact O-N 3.04Å; I56-K59 WeakPolarHBondContact O-CB 3.38Å; I56-K59 PolarHBondContact O-N 3.36Å; L57-K59 VanDerWaalsContact C-N 3.3Å; L57-K59 PolarHBondContact O-N 3.32Å; K59-I61 VanDerWaalsContact C-N 3.31Å; K59-I61 PolarHBondContact O-N 2.81Å; K59-Q62 WeakPolarHBondContact O-CB 3.07Å; K59-Q62 PolarHBondContact O-N 2.71Å; K59-Q62 VanDerWaalsContact O-N 3.16Å; K59-W63 PolarHBondContact O-N 3.24Å; K59-F94 HydrophobicContact CB-CE2 4.37Å; K59-F94 HydrophobicContact CB-CZ 4.03Å; K59-F94 VanDerWaalsContact O-CZ 3.23Å; K59-F94 WeakPolarHBondContact O-CZ 3.37Å; K59-V97 VanDerWaalsContact NZ-CG1 3.33Å; K59-T101 HydrophobicContact CD-CG2 3.91Å; K59-L105 HydrophobicContact CB-CD2 3.79Å; K59-L105 HydrophobicContact CD-CD1 4.3Å
60V96.6Very high93.5Very high4 Ų456.7 Ų56.72%0.02429%0.285CS..Hα-helixtrans-57.5-47174.6173.60000110.3I56 L57 Q62 W63 C64 L105 A108 L112 I114 L117I56-V60 HydrophobicContact CG2-CG2 4.32Å; I56-V60 WeakPolarHBondContact O-CG2 3.34Å; I56-V60 PolarHBondContact O-N 3.25Å; L57-V60 PolarHBondContact O-N 3.09Å; V60-Q62 VanDerWaalsContact C-N 3.33Å; V60-Q62 PolarHBondContact O-N 3.43Å; V60-W63 WeakPolarHBondContact O-CB 3.13Å; V60-W63 PolarHBondContact O-N 2.75Å; V60-C64 PolarHBondContact O-N 3.19Å; V60-C64 PolarHBondContact O-SG 3.47Å; V60-C64 VanDerWaalsContact O-SG 3.37Å; V60-L105 HydrophobicContact CG2-CD2 4.07Å; V60-A108 HydrophobicContact CG2-CB 4.07Å; V60-L112 HydrophobicContact CG1-CD1 3.97Å; V60-I114 HydrophobicContact CG1-CD1 3.44Å; V60-I114 VanDerWaalsContact CG1-CD1 3.44Å; V60-L117 HydrophobicContact CG1-CD2 4.4Å; V60-L117 HydrophobicContact CG2-CD2 4.07Å
61I95.9Very high92.7Very high30 Ų3055 Ų5515%0.15429%0.285CS..Hα-helixtrans-60-43.3176.5-67.4161.2000111F15 V17 L57 K59 W63 C64 A65F15-I61 HydrophobicContact CB-CD1 3.75Å; F15-I61 HydrophobicContact CD1-CD1 3.93Å; F15-I61 HydrophobicContact CG-CD1 3.85Å; V17-I61 HydrophobicContact CG1-CG1 4.3Å; V17-I61 HydrophobicContact CG1-CG2 3.85Å; V17-I61 HydrophobicContact CG2-CD1 3.45Å; V17-I61 VanDerWaalsContact CG2-CD1 3.45Å; V17-I61 HydrophobicContact CG2-CG1 3.76Å; V17-I61 HydrophobicContact CG2-CG2 4.03Å; L57-I61 HydrophobicContact CD1-CD1 4.16Å; L57-I61 HydrophobicContact CD1-CG1 4.3Å; L57-I61 HydrophobicContact CG-CD1 3.88Å; L57-I61 HydrophobicContact CG-CG1 4.5Å; L57-I61 WeakPolarHBondContact O-CD1 3.09Å; L57-I61 VanDerWaalsContact O-CG1 3.23Å; L57-I61 WeakPolarHBondContact O-CG1 3.29Å; L57-I61 PolarHBondContact O-N 2.95Å; K59-I61 VanDerWaalsContact C-N 3.31Å; K59-I61 PolarHBondContact O-N 2.81Å; I61-W63 VanDerWaalsContact C-N 3.32Å; I61-W63 PolarHBondContact O-N 2.61Å; I61-C64 PolarHBondContact O-N 2.99Å; I61-A65 VanDerWaalsContact O-CB 3.28Å; I61-A65 WeakPolarHBondContact O-CB 3.19Å; I61-A65 PolarHBondContact O-N 3.45Å
62Q95.8Very high91.3Very high101 Ų10155.1 Ų55.147%0.47229%0.292SS..Hα-helixtrans-60.4-41.5176.7-179.3-177.41.900112K58 K59 V60 Y66 F94K58-Q62 WeakPolarHBondContact O-CB 3.4Å; K58-Q62 PolarHBondContact O-N 2.87Å; K59-Q62 WeakPolarHBondContact O-CB 3.07Å; K59-Q62 PolarHBondContact O-N 2.71Å; K59-Q62 VanDerWaalsContact O-N 3.16Å; V60-Q62 VanDerWaalsContact C-N 3.33Å; V60-Q62 PolarHBondContact O-N 3.43Å; Q62-Y66 PolarHBondContact O-N 2.92Å; Q62-F94 HydrophobicContact CB-CE2 4.23Å; Q62-F94 HydrophobicContact CG-CE2 4.15Å
63W96.2Very high89.5Confident2 Ų259.5 Ų59.51%0.00831%0.314CS..Hα-helixtrans-64.9-48.8176-168.588.2000111.3M24 K59 V60 I61 A65 Y66 H67 W90 D91 F94 I114 L117 V120M24-W63 HydrophobicContact CE-CE3 4.43Å; M24-W63 HydrophobicContact CE-CH2 4Å; M24-W63 HydrophobicContact CE-CZ3 3.49Å; M24-W63 VanDerWaalsContact CE-CZ3 3.49Å; M24-W63 HydrophobicContact SD-CZ3 4.14Å; K59-W63 PolarHBondContact O-N 3.24Å; V60-W63 WeakPolarHBondContact O-CB 3.13Å; V60-W63 PolarHBondContact O-N 2.75Å; I61-W63 VanDerWaalsContact C-N 3.32Å; I61-W63 PolarHBondContact O-N 2.61Å; W63-A65 VanDerWaalsContact C-N 3.3Å; W63-A65 PolarHBondContact O-N 2.78Å; W63-Y66 PolarHBondContact O-N 3.43Å; W63-H67 AromaticContact CD1-CD2 3.78Å; W63-H67 AromaticContact CD1-NE2 3.97Å; W63-H67 AromaticContact CD2-CD2 3.53Å; W63-H67 AromaticContact CE2-CD2 3.1Å; W63-H67 AromaticContact CE2-CG 3.91Å; W63-H67 AromaticContact CE2-NE2 3.53Å; W63-H67 HydrophobicContact CE3-CB 4.36Å; W63-H67 AromaticContact CG-CD2 3.94Å; W63-H67 HydrophobicContact CH2-CB 3.9Å; W63-H67 AromaticContact CH2-CD2 3.93Å; W63-H67 AromaticContact CH2-CG 3.91Å; W63-H67 HydrophobicContact CZ2-CB 4.2Å; W63-H67 AromaticContact CZ2-CD2 3.34Å; W63-H67 WeakPolarHBondContact CZ2-CD2 2.86Å; W63-H67 AromaticContact CZ2-CG 3.69Å; W63-H67 AromaticContact CZ2-NE2 3.74Å; W63-H67 HydrophobicContact CZ3-CB 4.01Å; W63-H67 AromaticContact NE1-CD2 3.27Å; W63-H67 PolarHBondContact NE1-CD2 3.28Å; W63-H67 VanDerWaalsContact NE1-CD2 3.27Å; W63-H67 AromaticContact NE1-NE2 3.28Å; W63-H67 PolarHBondContact NE1-NE2 3.26Å; W63-H67 PolarHBondContact O-CD2 3.44Å; W63-H67 PolarHBondContact O-N 3.31Å; W63-H67 VanDerWaalsContact O-N 3.07Å; W63-W90 AromaticContact CD1-CZ3 3.68Å; W63-W90 HydrophobicContact CG-CZ3 4.41Å; W63-D91 PolarHBondContact NE1-OD1 3.35Å; W63-F94 HydrophobicContact CB-CE1 3.89Å; W63-F94 HydrophobicContact CB-CE2 4.35Å; W63-F94 HydrophobicContact CB-CZ 3.74Å; W63-F94 AromaticContact CD1-CD1 3.63Å; W63-F94 AromaticContact CD1-CE1 3.56Å; W63-F94 HydrophobicContact CG-CD1 4.49Å; W63-F94 HydrophobicContact CG-CE1 4.04Å; W63-F94 HydrophobicContact CG-CZ 4.39Å; W63-I114 HydrophobicContact CE3-CG2 4.13Å; W63-I114 HydrophobicContact CZ3-CG2 3.71Å; W63-L117 HydrophobicContact CB-CD1 4.4Å; W63-L117 HydrophobicContact CD2-CB 3.82Å; W63-L117 HydrophobicContact CD2-CD1 3.99Å; W63-L117 HydrophobicContact CD2-CG 4.31Å; W63-L117 HydrophobicContact CE3-CB 3.81Å; W63-L117 HydrophobicContact CG-CB 4.46Å; W63-L117 HydrophobicContact CG-CD1 3.77Å; W63-L117 HydrophobicContact CG-CG 4.46Å; W63-L117 HydrophobicContact CH2-CB 4.24Å; W63-L117 VanDerWaalsContact CH2-N 3.29Å; W63-L117 HydrophobicContact CZ2-CB 4.22Å; W63-L117 HydrophobicContact CZ3-CB 4.01Å; W63-V120 HydrophobicContact CZ2-CG2 4.37Å
64C94.2Very high87.3Confident6 Ų666 Ų664%0.04135%0.345CS..Hα-helixtrans-59.6-41.4177.3-68.30000112.1C21 M24 V60 I61 Y66 H67 Y68C21-C64 HydrophobicContact CB-CB 4.05Å; C21-C64 WeakPolarHBondContact O-CB 3.35Å; M24-C64 VanDerWaalsContact SD-CA 3.55Å; M24-C64 HydrophobicContact SD-CB 3.84Å; V60-C64 PolarHBondContact O-N 3.19Å; V60-C64 PolarHBondContact O-SG 3.47Å; V60-C64 VanDerWaalsContact O-SG 3.37Å; I61-C64 PolarHBondContact O-N 2.99Å; C64-Y66 PolarHBondContact O-N 2.86Å; C64-H67 PolarHBondContact O-N 3.48Å; C64-Y68 VanDerWaalsContact O-CB 3.29Å; C64-Y68 WeakPolarHBondContact O-CB 3.46Å; C64-Y68 WeakPolarHBondContact O-CD1 3.38Å; C64-Y68 PolarHBondContact O-N 3.41Å
65A92.6Very high85Confident49 Ų4972.4 Ų72.441%0.40538%0.379SS..Hα-helixtrans-65.2-20.617800000113.7I61 W63 Y68I61-A65 VanDerWaalsContact O-CB 3.28Å; I61-A65 WeakPolarHBondContact O-CB 3.19Å; I61-A65 PolarHBondContact O-N 3.45Å; W63-A65 VanDerWaalsContact C-N 3.3Å; W63-A65 PolarHBondContact O-N 2.78Å; A65-Y68 VanDerWaalsContact O-CD1 3.25Å; A65-Y68 WeakPolarHBondContact O-CD1 3.45Å; A65-Y68 WeakPolarHBondContact O-CE1 3.37Å
66Y91.6Very high82.7Confident109 Ų10971.4 Ų71.443%0.42737%0.37SS..Hα-helixtrans-88-38174.1-173.9-98.8000112.1Q62 W63 C64 W90Q62-Y66 PolarHBondContact O-N 2.92Å; W63-Y66 PolarHBondContact O-N 3.43Å; C64-Y66 PolarHBondContact O-N 2.86Å; Y66-W90 VanDerWaalsContact CB-CH2 3.48Å; Y66-W90 AromaticContact CD1-CD2 3.46Å; Y66-W90 HydrophobicContact CD1-CD2 3.46Å; Y66-W90 VanDerWaalsContact CD1-CD2 3.46Å; Y66-W90 AromaticContact CD1-CE2 3.82Å; Y66-W90 AromaticContact CD1-CE3 3.38Å; Y66-W90 HydrophobicContact CD1-CE3 3.38Å; Y66-W90 HydrophobicContact CD1-CG 4.04Å; Y66-W90 HydrophobicContact CD1-CH2 4.09Å; Y66-W90 HydrophobicContact CD1-CZ2 4.14Å; Y66-W90 AromaticContact CD1-CZ3 3.71Å; Y66-W90 HydrophobicContact CD1-CZ3 3.71Å; Y66-W90 AromaticContact CD2-CD2 3.95Å; Y66-W90 HydrophobicContact CD2-CD2 3.95Å; Y66-W90 AromaticContact CD2-CE2 3.52Å; Y66-W90 HydrophobicContact CD2-CG 4.27Å; Y66-W90 AromaticContact CD2-CZ2 3.85Å; Y66-W90 HydrophobicContact CD2-CZ2 3.85Å; Y66-W90 AromaticContact CD2-NE1 3.54Å; Y66-W90 HydrophobicContact CE1-CB 3.84Å; Y66-W90 AromaticContact CE1-CD2 3.49Å; Y66-W90 HydrophobicContact CE1-CD2 3.49Å; Y66-W90 VanDerWaalsContact CE1-CD2 3.49Å; Y66-W90 AromaticContact CE1-CE3 3.69Å; Y66-W90 HydrophobicContact CE1-CE3 3.69Å; Y66-W90 AromaticContact CE1-CG 3.54Å; Y66-W90 HydrophobicContact CE1-CG 3.54Å; Y66-W90 HydrophobicContact CE1-CZ3 4.46Å; Y66-W90 AromaticContact CE2-CD1 3.51Å; Y66-W90 AromaticContact CE2-CD2 3.98Å; Y66-W90 HydrophobicContact CE2-CD2 3.98Å; Y66-W90 AromaticContact CE2-CE2 3.84Å; Y66-W90 AromaticContact CE2-CG 3.8Å; Y66-W90 HydrophobicContact CE2-CG 3.8Å; Y66-W90 AromaticContact CE2-NE1 3.5Å; Y66-W90 AromaticContact CG-CD2 3.69Å; Y66-W90 HydrophobicContact CG-CD2 3.69Å; Y66-W90 AromaticContact CG-CE2 3.5Å; Y66-W90 VanDerWaalsContact CG-CE2 3.5Å; Y66-W90 AromaticContact CG-CE3 3.87Å; Y66-W90 HydrophobicContact CG-CE3 3.87Å; Y66-W90 HydrophobicContact CG-CG 4.37Å; Y66-W90 AromaticContact CG-CH2 3.79Å; Y66-W90 HydrophobicContact CG-CH2 3.79Å; Y66-W90 AromaticContact CG-CZ2 3.57Å; Y66-W90 HydrophobicContact CG-CZ2 3.57Å; Y66-W90 AromaticContact CG-CZ3 3.91Å; Y66-W90 HydrophobicContact CG-CZ3 3.91Å; Y66-W90 AromaticContact CZ-CD1 3.56Å; Y66-W90 AromaticContact CZ-CD2 3.75Å; Y66-W90 AromaticContact CZ-CG 3.4Å; Y66-W90 VanDerWaalsContact CZ-CG 3.4Å; Y66-W90 AromaticContact CZ-NE1 3.96Å
67H91.5Very high80.4Confident8 Ų878.8 Ų78.84%0.03741%0.41CS..Hα-helixtrans-101.1-2.2-171.9-70.1-75.5000115.4M24 W63 C64 D69 D70 W90 D91M24-H67 HydrophobicContact CE-CB 3.75Å; M24-H67 HydrophobicContact SD-CB 4.28Å; W63-H67 AromaticContact CD1-CD2 3.78Å; W63-H67 AromaticContact CD1-NE2 3.97Å; W63-H67 AromaticContact CD2-CD2 3.53Å; W63-H67 AromaticContact CE2-CD2 3.1Å; W63-H67 AromaticContact CE2-CG 3.91Å; W63-H67 AromaticContact CE2-NE2 3.53Å; W63-H67 HydrophobicContact CE3-CB 4.36Å; W63-H67 AromaticContact CG-CD2 3.94Å; W63-H67 HydrophobicContact CH2-CB 3.9Å; W63-H67 AromaticContact CH2-CD2 3.93Å; W63-H67 AromaticContact CH2-CG 3.91Å; W63-H67 HydrophobicContact CZ2-CB 4.2Å; W63-H67 AromaticContact CZ2-CD2 3.34Å; W63-H67 WeakPolarHBondContact CZ2-CD2 2.86Å; W63-H67 AromaticContact CZ2-CG 3.69Å; W63-H67 AromaticContact CZ2-NE2 3.74Å; W63-H67 HydrophobicContact CZ3-CB 4.01Å; W63-H67 AromaticContact NE1-CD2 3.27Å; W63-H67 PolarHBondContact NE1-CD2 3.28Å; W63-H67 VanDerWaalsContact NE1-CD2 3.27Å; W63-H67 AromaticContact NE1-NE2 3.28Å; W63-H67 PolarHBondContact NE1-NE2 3.26Å; W63-H67 PolarHBondContact O-CD2 3.44Å; W63-H67 PolarHBondContact O-N 3.31Å; W63-H67 VanDerWaalsContact O-N 3.07Å; C64-H67 PolarHBondContact O-N 3.48Å; H67-D69 VanDerWaalsContact C-N 3.25Å; H67-D69 PolarHBondContact O-N 2.98Å; H67-D70 IonicContact CE1-OD2 2.97Å; H67-D70 IonicContact CG-OD2 3.58Å; H67-D70 IonicContact ND1-OD2 3.59Å; H67-D70 PolarHBondContact ND1-OD2 3.45Å; H67-D70 WeakPolarHBondContact O-CB 3.17Å; H67-D70 PolarHBondContact O-N 3.01Å; H67-D70 VanDerWaalsContact O-N 3.12Å; H67-W90 AromaticContact CD2-CZ3 3.97Å; H67-W90 AromaticContact NE2-CE3 3.65Å; H67-W90 AromaticContact NE2-CZ3 3.63Å; H67-D91 IonicContact CE1-OD1 3.26Å; H67-D91 IonicContact CE1-OD2 3.04Å; H67-D91 IonicContact NE2-OD1 2.71Å; H67-D91 PolarHBondContact NE2-OD1 2.91Å; H67-D91 IonicContact NE2-OD2 2.67Å
68Y84.6Confident78Confident84 Ų8487.3 Ų87.333%0.32945%0.449SS..THydrogen-bonded Turntrans-65.7-27.8-176.775.6-85.3000113.5E20 C64 A65E20-Y68 HydrophobicContact CB-CD2 4.12Å; C64-Y68 VanDerWaalsContact O-CB 3.29Å; C64-Y68 WeakPolarHBondContact O-CB 3.46Å; C64-Y68 WeakPolarHBondContact O-CD1 3.38Å; C64-Y68 PolarHBondContact O-N 3.41Å; A65-Y68 VanDerWaalsContact O-CD1 3.25Å; A65-Y68 WeakPolarHBondContact O-CD1 3.45Å; A65-Y68 WeakPolarHBondContact O-CE1 3.37Å
69D84Confident75.8Confident123 Ų12386.3 Ų86.366%0.65846%0.458SS*.THydrogen-bonded Turntrans-92-3.4176.3-80.4-31.6000113H67H67-D69 VanDerWaalsContact C-N 3.25Å; H67-D69 PolarHBondContact O-N 2.98Å
70D82.8Confident73.5Confident76 Ų7691.7 Ų91.741%0.40648%0.482SS..SBendtrans-67.7149.5179.5-81.3-6.2000110.8H67H67-D70 IonicContact CE1-OD2 2.97Å; H67-D70 IonicContact CG-OD2 3.58Å; H67-D70 IonicContact ND1-OD2 3.59Å; H67-D70 PolarHBondContact ND1-OD2 3.45Å; H67-D70 WeakPolarHBondContact O-CB 3.17Å; H67-D70 PolarHBondContact O-N 3.01Å; H67-D70 VanDerWaalsContact O-N 3.12Å
71P73.3Confident71.4Confident109 Ų10997.9 Ų97.971%0.70851%0.51SS*.PPolyproline II helixtrans-52.5137.5168.2-20.631.1000109.2M73P71-M73 PolarHBondContact O-N 3.01Å
72P63.7Low69.4Low117 Ų117105.7 Ų105.776%0.7654%0.538SS*.PPolyproline II helixtrans-52.9130.7177.521.5-31.8000108.6M74P72-M74 PolarHBondContact O-N 2.85Å
73M57.4Low67.8Low94 Ų94107 Ų10746%0.46354%0.539SS..  trans-51.3114.7171.4-70.7-172.8179.100106.7P71 N75 G116P71-M73 PolarHBondContact O-N 3.01Å; M73-N75 PolarHBondContact O-N 3.46Å; M73-N75 VanDerWaalsContact O-N 3.14Å; M73-G116 VanDerWaalsContact CE-CA 3.43Å; M73-G116 WeakPolarHBondContact SD-CA 3.44Å
74M51.4Low66.4Low177 Ų177108 Ų10887%0.87255%0.546SS*.  trans-55.1125.8-176.3-69.9-174.473.200107.6P72 D76P72-M74 PolarHBondContact O-N 2.85Å; M74-D76 PolarHBondContact O-N 3.24Å
75N47.6Very low65.2Low140 Ų140112.3 Ų112.375%0.74957%0.569SS**  trans-53.8132.6174.1-77.9-49.6000108.4M73 D77M73-N75 PolarHBondContact O-N 3.46Å; M73-N75 VanDerWaalsContact O-N 3.14Å; N75-D77 PolarHBondContact O-N 2.97Å
76D49.4Very low64.5Low77 Ų77113.9 Ų113.941%0.41257%0.57SS.*THydrogen-bonded Turntrans-76.140.1-154.4-145.320.6000113.9M74 R82M74-D76 PolarHBondContact O-N 3.24Å; D76-R82 IonicContact OD2-CZ 3.22Å; D76-R82 VanDerWaalsContact OD2-CZ 3.24Å; D76-R82 IonicContact OD2-NE 2.81Å; D76-R82 PolarHBondContact OD2-NE 2.85Å; D76-R82 IonicContact OD2-NH2 2.75Å; D76-R82 PolarHBondContact OD2-NH2 3.41Å
77D49.5Very low64.3Low157 Ų157110.1 Ų110.184%0.8456%0.557SS**THydrogen-bonded Turntrans-94.3-22.3-177.7-86.3-34.3000114.2N75N75-D77 PolarHBondContact O-N 2.97Å
78E46.9Very low64.1Low181 Ų181113 Ų11385%0.84657%0.573SS**SBendtrans-130.1-25.9-170-71.8-157.7122.200119.7
79C49.3Very low64.4Low119 Ų119113.2 Ų113.280%0.80459%0.592SS**SBendtrans-159.881.2-171.7-97.30000113.9
80K50.2Low64.9Low162 Ų162110.6 Ų110.670%0.70457%0.573SS**  trans170.5123.6131.1-89.7155.5-170.7-173.40105.7R82K80-R82 PolarHBondContact O-N 3.47Å
81E51.4Low65.5Low134 Ų134107.1 Ų107.163%0.62656%0.555SS**  trans-40.9133.4164.6-66.7168.4161.200107.9R83E81-R83 HydrophobicContact CB-CG 3.74Å; E81-R83 WeakPolarHBondContact O-CG 3.46Å; E81-R83 PolarHBondContact O-N 2.77Å; E81-R83 IonicContact OE2-CZ 3.65Å; E81-R83 IonicContact OE2-NE 2.78Å; E81-R83 PolarHBondContact OE2-NE 3.24Å; E81-R83 IonicContact OE2-NH2 2.74Å; E81-R83 PolarHBondContact OE2-NH2 3.39Å
82R54.3Low66.4Low195 Ų195104.2 Ų104.274%0.73654%0.54SS*.  trans-63.864.7176.7-68.3-179.6175.5173.20.2110.6D76 K80D76-R82 IonicContact OD2-CZ 3.22Å; D76-R82 VanDerWaalsContact OD2-CZ 3.24Å; D76-R82 IonicContact OD2-NE 2.81Å; D76-R82 PolarHBondContact OD2-NE 2.85Å; D76-R82 IonicContact OD2-NH2 2.75Å; D76-R82 PolarHBondContact OD2-NH2 3.41Å; K80-R82 PolarHBondContact O-N 3.47Å
83R62.8Low67.9Low128 Ų128104.3 Ų104.348%0.48353%0.53SS..  trans-78134.7-176-46.9-170.9169.1175.5-1.5107.7E81 D85 D86E81-R83 HydrophobicContact CB-CG 3.74Å; E81-R83 WeakPolarHBondContact O-CG 3.46Å; E81-R83 PolarHBondContact O-N 2.77Å; E81-R83 IonicContact OE2-CZ 3.65Å; E81-R83 IonicContact OE2-NE 2.78Å; E81-R83 PolarHBondContact OE2-NE 3.24Å; E81-R83 IonicContact OE2-NH2 2.74Å; E81-R83 PolarHBondContact OE2-NH2 3.39Å; R83-D85 WeakPolarHBondContact CB-OD1 3.48Å; R83-D85 PolarHBondContact O-N 2.87Å; R83-D86 PolarHBondContact O-N 2.89Å
84S65.6Low69.8Low23 Ų23100.5 Ų100.516%0.16151%0.511CS..THydrogen-bonded Turntrans-71.3-13.7-178.365.90000112.4N127S84-N127 WeakPolarHBondContact CB-OD1 3.36Å; S84-N127 PolarHBondContact O-ND2 2.99Å; S84-N127 PolarHBondContact O-OD1 2.91Å; S84-N127 PolarHBondContact OG-OD1 3.3Å
85D69.1Low71.9Confident96 Ų9692.2 Ų92.251%0.51347%0.47SS..THydrogen-bonded Turntrans-83-12.117853.7-35.8000114.4R83 I87R83-D85 WeakPolarHBondContact CB-OD1 3.48Å; R83-D85 PolarHBondContact O-N 2.87Å; D85-I87 PolarHBondContact O-N 3.41Å
86D79.2Confident74.2Confident83 Ų8392.4 Ų92.444%0.44446%0.464SS..  trans-8247.5176.4-75.6-18.5000112.4R83R83-D86 PolarHBondContact O-N 2.89Å
87I85.8Confident76.3Confident30 Ų3090.5 Ų90.515%0.15446%0.455CS..  trans-98124.4169.2-53.1178.1000107.5D85 D91 A92 K123 T124D85-I87 PolarHBondContact O-N 3.41Å; I87-D91 HydrophobicContact CG2-CB 3.56Å; I87-A92 HydrophobicContact CG2-CB 4.1Å; I87-K123 HydrophobicContact CD1-CB 3.8Å; I87-K123 HydrophobicContact CG1-CB 3.99Å; I87-K123 HydrophobicContact CG1-CD 4.32Å; I87-T124 WeakPolarHBondContact CD1-OG1 3.36Å
88N88.7Confident78.5Confident68 Ų6887.8 Ų87.836%0.36444%0.441SS..  trans-66.9159.4176.271.154.5000110.7W90 D91 A92N88-W90 PolarHBondContact O-N 3.49Å; N88-W90 WeakPolarHBondContact OD1-CA 3.22Å; N88-W90 WeakPolarHBondContact OD1-CB 3.21Å; N88-W90 PolarHBondContact OD1-N 2.83Å; N88-D91 VanDerWaalsContact CG-OD2 3.3Å; N88-D91 PolarHBondContact ND2-OD2 3.42Å; N88-D91 PolarHBondContact O-N 3.36Å; N88-D91 WeakPolarHBondContact OD1-CB 3.4Å; N88-D91 PolarHBondContact OD1-N 3.19Å; N88-D91 PolarHBondContact OD1-OD2 2.86Å; N88-A92 WeakPolarHBondContact O-CB 3.32Å; N88-A92 PolarHBondContact O-N 3.17Å
89A91.2Very high80.6Confident89 Ų8982.6 Ų82.674%0.73642%0.417SS*.Hα-helixtrans-62.6-28.6-175.100000113.5E93A89-E93 PolarHBondContact O-N 3.03Å
90W94.2Very high82.8Confident68 Ų6878.7 Ų78.726%0.25840%0.396SS..Hα-helixtrans-72.3-48.4179.4-171.993.4000111W63 Y66 H67 N88 A92 E93 F94W63-W90 AromaticContact CD1-CZ3 3.68Å; W63-W90 HydrophobicContact CG-CZ3 4.41Å; Y66-W90 VanDerWaalsContact CB-CH2 3.48Å; Y66-W90 AromaticContact CD1-CD2 3.46Å; Y66-W90 HydrophobicContact CD1-CD2 3.46Å; Y66-W90 VanDerWaalsContact CD1-CD2 3.46Å; Y66-W90 AromaticContact CD1-CE2 3.82Å; Y66-W90 AromaticContact CD1-CE3 3.38Å; Y66-W90 HydrophobicContact CD1-CE3 3.38Å; Y66-W90 HydrophobicContact CD1-CG 4.04Å; Y66-W90 HydrophobicContact CD1-CH2 4.09Å; Y66-W90 HydrophobicContact CD1-CZ2 4.14Å; Y66-W90 AromaticContact CD1-CZ3 3.71Å; Y66-W90 HydrophobicContact CD1-CZ3 3.71Å; Y66-W90 AromaticContact CD2-CD2 3.95Å; Y66-W90 HydrophobicContact CD2-CD2 3.95Å; Y66-W90 AromaticContact CD2-CE2 3.52Å; Y66-W90 HydrophobicContact CD2-CG 4.27Å; Y66-W90 AromaticContact CD2-CZ2 3.85Å; Y66-W90 HydrophobicContact CD2-CZ2 3.85Å; Y66-W90 AromaticContact CD2-NE1 3.54Å; Y66-W90 HydrophobicContact CE1-CB 3.84Å; Y66-W90 AromaticContact CE1-CD2 3.49Å; Y66-W90 HydrophobicContact CE1-CD2 3.49Å; Y66-W90 VanDerWaalsContact CE1-CD2 3.49Å; Y66-W90 AromaticContact CE1-CE3 3.69Å; Y66-W90 HydrophobicContact CE1-CE3 3.69Å; Y66-W90 AromaticContact CE1-CG 3.54Å; Y66-W90 HydrophobicContact CE1-CG 3.54Å; Y66-W90 HydrophobicContact CE1-CZ3 4.46Å; Y66-W90 AromaticContact CE2-CD1 3.51Å; Y66-W90 AromaticContact CE2-CD2 3.98Å; Y66-W90 HydrophobicContact CE2-CD2 3.98Å; Y66-W90 AromaticContact CE2-CE2 3.84Å; Y66-W90 AromaticContact CE2-CG 3.8Å; Y66-W90 HydrophobicContact CE2-CG 3.8Å; Y66-W90 AromaticContact CE2-NE1 3.5Å; Y66-W90 AromaticContact CG-CD2 3.69Å; Y66-W90 HydrophobicContact CG-CD2 3.69Å; Y66-W90 AromaticContact CG-CE2 3.5Å; Y66-W90 VanDerWaalsContact CG-CE2 3.5Å; Y66-W90 AromaticContact CG-CE3 3.87Å; Y66-W90 HydrophobicContact CG-CE3 3.87Å; Y66-W90 HydrophobicContact CG-CG 4.37Å; Y66-W90 AromaticContact CG-CH2 3.79Å; Y66-W90 HydrophobicContact CG-CH2 3.79Å; Y66-W90 AromaticContact CG-CZ2 3.57Å; Y66-W90 HydrophobicContact CG-CZ2 3.57Å; Y66-W90 AromaticContact CG-CZ3 3.91Å; Y66-W90 HydrophobicContact CG-CZ3 3.91Å; Y66-W90 AromaticContact CZ-CD1 3.56Å; Y66-W90 AromaticContact CZ-CD2 3.75Å; Y66-W90 AromaticContact CZ-CG 3.4Å; Y66-W90 VanDerWaalsContact CZ-CG 3.4Å; Y66-W90 AromaticContact CZ-NE1 3.96Å; H67-W90 AromaticContact CD2-CZ3 3.97Å; H67-W90 AromaticContact NE2-CE3 3.65Å; H67-W90 AromaticContact NE2-CZ3 3.63Å; N88-W90 PolarHBondContact O-N 3.49Å; N88-W90 WeakPolarHBondContact OD1-CA 3.22Å; N88-W90 WeakPolarHBondContact OD1-CB 3.21Å; N88-W90 PolarHBondContact OD1-N 2.83Å; W90-A92 VanDerWaalsContact C-N 3.31Å; W90-A92 PolarHBondContact O-N 3.42Å; W90-E93 PolarHBondContact O-N 3.11Å; W90-F94 HydrophobicContact CE3-CB 4.12Å; W90-F94 HydrophobicContact CH2-CB 4.23Å; W90-F94 AromaticContact CH2-CD2 3.81Å; W90-F94 HydrophobicContact CH2-CD2 3.81Å; W90-F94 HydrophobicContact CH2-CE2 4.42Å; W90-F94 HydrophobicContact CH2-CG 4Å; W90-F94 HydrophobicContact CZ2-CD2 4.41Å; W90-F94 HydrophobicContact CZ3-CB 3.94Å; W90-F94 HydrophobicContact CZ3-CD1 4.41Å; W90-F94 HydrophobicContact CZ3-CD2 4.22Å; W90-F94 AromaticContact CZ3-CG 3.92Å; W90-F94 HydrophobicContact CZ3-CG 3.92Å; W90-F94 VanDerWaalsContact O-CB 3.28Å; W90-F94 WeakPolarHBondContact O-CB 3.32Å; W90-F94 PolarHBondContact O-N 3.03Å
91D94.3Very high84.9Confident3 Ų372.1 Ų72.12%0.01637%0.37CS..Hα-helixtrans-60-41.6174.9-80.1-41.4000111.8W63 H67 I87 N88 E93 F94 L95W63-D91 PolarHBondContact NE1-OD1 3.35Å; H67-D91 IonicContact CE1-OD1 3.26Å; H67-D91 IonicContact CE1-OD2 3.04Å; H67-D91 IonicContact NE2-OD1 2.71Å; H67-D91 PolarHBondContact NE2-OD1 2.91Å; H67-D91 IonicContact NE2-OD2 2.67Å; I87-D91 HydrophobicContact CG2-CB 3.56Å; N88-D91 VanDerWaalsContact CG-OD2 3.3Å; N88-D91 PolarHBondContact ND2-OD2 3.42Å; N88-D91 PolarHBondContact O-N 3.36Å; N88-D91 WeakPolarHBondContact OD1-CB 3.4Å; N88-D91 PolarHBondContact OD1-N 3.19Å; N88-D91 PolarHBondContact OD1-OD2 2.86Å; D91-E93 VanDerWaalsContact C-N 3.34Å; D91-E93 PolarHBondContact O-N 2.91Å; D91-F94 PolarHBondContact O-N 2.96Å; D91-L95 WeakPolarHBondContact O-CB 3.4Å; D91-L95 WeakPolarHBondContact O-CG 3.35Å; D91-L95 PolarHBondContact O-N 2.86Å
92A93.3Very high87.1Confident48 Ų4865.8 Ų65.840%0.39734%0.34SS..Hα-helixtrans-61.4-41.2178.200000112.1I87 N88 W90 K96I87-A92 HydrophobicContact CG2-CB 4.1Å; N88-A92 WeakPolarHBondContact O-CB 3.32Å; N88-A92 PolarHBondContact O-N 3.17Å; W90-A92 VanDerWaalsContact C-N 3.31Å; W90-A92 PolarHBondContact O-N 3.42Å; A92-K96 PolarHBondContact O-N 2.91Å
93E95.3Very high89.1Confident118 Ų11860.4 Ų60.455%0.55132%0.322SS*.Hα-helixtrans-77-34.9176-169.763.4-158.800111.7A89 W90 D91 L95 K96A89-E93 PolarHBondContact O-N 3.03Å; W90-E93 PolarHBondContact O-N 3.11Å; D91-E93 VanDerWaalsContact C-N 3.34Å; D91-E93 PolarHBondContact O-N 2.91Å; E93-L95 PolarHBondContact O-N 3.26Å; E93-K96 VanDerWaalsContact O-CB 3.28Å; E93-K96 WeakPolarHBondContact O-CB 3.46Å; E93-K96 PolarHBondContact O-N 3.04Å; E93-K96 IonicContact OE1-NZ 2.87Å; E93-K96 PolarHBondContact OE1-NZ 2.87Å; E93-K96 VanDerWaalsContact OE2-CD 3.32Å; E93-K96 WeakPolarHBondContact OE2-CD 3.42Å; E93-K96 IonicContact OE2-NZ 3.94Å; E93-K96 PolarHBondContact OE2-NZ 2.95Å
94F96.4Very high90.7Very high15 Ų1558.4 Ų58.47%0.06632%0.318CS..Hα-helixtrans-62.4-40.9176.2173.8-98.9000112.4K59 Q62 W63 W90 D91 K96 L117K59-F94 HydrophobicContact CB-CE2 4.37Å; K59-F94 HydrophobicContact CB-CZ 4.03Å; K59-F94 VanDerWaalsContact O-CZ 3.23Å; K59-F94 WeakPolarHBondContact O-CZ 3.37Å; Q62-F94 HydrophobicContact CB-CE2 4.23Å; Q62-F94 HydrophobicContact CG-CE2 4.15Å; W63-F94 HydrophobicContact CB-CE1 3.89Å; W63-F94 HydrophobicContact CB-CE2 4.35Å; W63-F94 HydrophobicContact CB-CZ 3.74Å; W63-F94 AromaticContact CD1-CD1 3.63Å; W63-F94 AromaticContact CD1-CE1 3.56Å; W63-F94 HydrophobicContact CG-CD1 4.49Å; W63-F94 HydrophobicContact CG-CE1 4.04Å; W63-F94 HydrophobicContact CG-CZ 4.39Å; W90-F94 HydrophobicContact CE3-CB 4.12Å; W90-F94 HydrophobicContact CH2-CB 4.23Å; W90-F94 AromaticContact CH2-CD2 3.81Å; W90-F94 HydrophobicContact CH2-CD2 3.81Å; W90-F94 HydrophobicContact CH2-CE2 4.42Å; W90-F94 HydrophobicContact CH2-CG 4Å; W90-F94 HydrophobicContact CZ2-CD2 4.41Å; W90-F94 HydrophobicContact CZ3-CB 3.94Å; W90-F94 HydrophobicContact CZ3-CD1 4.41Å; W90-F94 HydrophobicContact CZ3-CD2 4.22Å; W90-F94 AromaticContact CZ3-CG 3.92Å; W90-F94 HydrophobicContact CZ3-CG 3.92Å; W90-F94 VanDerWaalsContact O-CB 3.28Å; W90-F94 WeakPolarHBondContact O-CB 3.32Å; W90-F94 PolarHBondContact O-N 3.03Å; D91-F94 PolarHBondContact O-N 2.96Å; F94-K96 VanDerWaalsContact C-N 3.29Å; F94-K96 PolarHBondContact O-N 2.92Å; F94-L117 HydrophobicContact CE1-CD1 4.13Å
95L95.8Very high92.3Very high3 Ų357.3 Ų57.32%0.01631%0.311CS..THydrogen-bonded Turntrans-86.14.4179.5-64.1172.3000113.7D91 E93 V97 L102 L105 L117 V120 A121 T124D91-L95 WeakPolarHBondContact O-CB 3.4Å; D91-L95 WeakPolarHBondContact O-CG 3.35Å; D91-L95 PolarHBondContact O-N 2.86Å; E93-L95 PolarHBondContact O-N 3.26Å; L95-V97 PolarHBondContact O-N 3.3Å; L95-L102 HydrophobicContact CB-CD1 4.48Å; L95-L102 HydrophobicContact CD2-CD1 3.95Å; L95-L105 HydrophobicContact CD2-CD1 4.24Å; L95-L117 HydrophobicContact CD2-CD1 4.46Å; L95-V120 HydrophobicContact CD1-CB 4.02Å; L95-V120 HydrophobicContact CD1-CG2 3.88Å; L95-V120 WeakPolarHBondContact CD1-O 3.31Å; L95-A121 HydrophobicContact CD2-CB 4.27Å; L95-T124 HydrophobicContact CB-CG2 4.26Å; L95-T124 WeakPolarHBondContact CD1-OG1 3.34Å
96K94.7Very high93.6Very high144 Ų14454.2 Ų54.263%0.62629%0.294SS*.  trans-7863.5173-166.1-177.7178.7-174.60111A92 E93 F94A92-K96 PolarHBondContact O-N 2.91Å; E93-K96 VanDerWaalsContact O-CB 3.28Å; E93-K96 WeakPolarHBondContact O-CB 3.46Å; E93-K96 PolarHBondContact O-N 3.04Å; E93-K96 IonicContact OE1-NZ 2.87Å; E93-K96 PolarHBondContact OE1-NZ 2.87Å; E93-K96 VanDerWaalsContact OE2-CD 3.32Å; E93-K96 WeakPolarHBondContact OE2-CD 3.42Å; E93-K96 IonicContact OE2-NZ 3.94Å; E93-K96 PolarHBondContact OE2-NZ 2.95Å; F94-K96 VanDerWaalsContact C-N 3.29Å; F94-K96 PolarHBondContact O-N 2.92Å
97V95Very high94.5Very high36 Ų3656 Ų5622%0.21830%0.303CS..SBendtrans-116.4172.4178.8-64.10000109.8K59 L95 T101 L102 L105K59-V97 VanDerWaalsContact NZ-CG1 3.33Å; L95-V97 PolarHBondContact O-N 3.3Å; V97-T101 HydrophobicContact CB-CG2 3.89Å; V97-T101 HydrophobicContact CG1-CG2 4.13Å; V97-T101 HydrophobicContact CG2-CG2 3.84Å; V97-L102 HydrophobicContact CG2-CB 3.99Å; V97-L105 HydrophobicContact CG2-CD1 4.38Å
98D94.7Very high95Very high100 Ų10054.7 Ų54.754%0.53530%0.296SS..  trans-65.1158.2170.168-79.6000111.3G100 T101 L102D98-G100 PolarHBondContact O-N 2.63Å; D98-G100 WeakPolarHBondContact OD2-CA 3.34Å; D98-G100 PolarHBondContact OD2-N 2.83Å; D98-T101 PolarHBondContact O-N 3.14Å; D98-T101 VanDerWaalsContact OD1-CB 3.31Å; D98-T101 WeakPolarHBondContact OD1-CB 3.34Å; D98-T101 PolarHBondContact OD1-OG1 3.33Å; D98-T101 PolarHBondContact OD2-N 3.12Å; D98-T101 PolarHBondContact OD2-OG1 3.32Å; D98-L102 PolarHBondContact O-N 3.47Å
99Q92.1Very high95.4Very high73 Ų7351.4 Ų51.434%0.34128%0.279SS..Hα-helixtrans-60-34.6-176.6-64.3-179.31600112.8L102 F103 T140Q99-L102 PolarHBondContact O-N 3.5Å; Q99-F103 HydrophobicContact CB-CD2 4.49Å; Q99-F103 HydrophobicContact CB-CE2 4.18Å; Q99-F103 WeakPolarHBondContact O-CD2 3.4Å; Q99-F103 WeakPolarHBondContact O-CG 3.35Å; Q99-F103 PolarHBondContact O-N 2.88Å; Q99-T140 PolarHBondContact NE2-O 3.2Å; Q99-T140 PolarHBondContact OE1-O 3.23Å
100G94.1Very high95.7Very high37 Ų3752.2 Ų52.238%0.38127%0.271SS..Hα-helixtrans-62.1-51.9178.200000110.6D98 L102 F103 E104D98-G100 PolarHBondContact O-N 2.63Å; D98-G100 WeakPolarHBondContact OD2-CA 3.34Å; D98-G100 PolarHBondContact OD2-N 2.83Å; G100-L102 VanDerWaalsContact C-N 3.31Å; G100-L102 PolarHBondContact O-N 3.27Å; G100-F103 PolarHBondContact O-N 2.73Å; G100-E104 WeakPolarHBondContact O-CG 3.31Å; G100-E104 PolarHBondContact O-N 3.5Å
101T95.9Very high95.8Very high23 Ų2352.8 Ų52.814%0.14127%0.274CS..Hα-helixtrans-59.1-40.7174.6-59.10000112.1I56 K59 V97 D98 E104 L105I56-T101 HydrophobicContact CD1-CG2 3.87Å; K59-T101 HydrophobicContact CD-CG2 3.91Å; V97-T101 HydrophobicContact CB-CG2 3.89Å; V97-T101 HydrophobicContact CG1-CG2 4.13Å; V97-T101 HydrophobicContact CG2-CG2 3.84Å; D98-T101 PolarHBondContact O-N 3.14Å; D98-T101 VanDerWaalsContact OD1-CB 3.31Å; D98-T101 WeakPolarHBondContact OD1-CB 3.34Å; D98-T101 PolarHBondContact OD1-OG1 3.33Å; D98-T101 PolarHBondContact OD2-N 3.12Å; D98-T101 PolarHBondContact OD2-OG1 3.32Å; T101-E104 PolarHBondContact O-N 2.78Å; T101-L105 HydrophobicContact CG2-CD1 4.26Å; T101-L105 WeakPolarHBondContact O-CB 3.43Å; T101-L105 WeakPolarHBondContact O-CG 3.44Å; T101-L105 PolarHBondContact O-N 3.34Å
102L96.6Very high95.9Very high1 Ų152.9 Ų52.91%0.00527%0.274CS..Hα-helixtrans-62.7-43.3178-178.159.8000111.9L95 V97 D98 Q99 G100 L105 I106 A121 T124 V125 M128L95-L102 HydrophobicContact CB-CD1 4.48Å; L95-L102 HydrophobicContact CD2-CD1 3.95Å; V97-L102 HydrophobicContact CG2-CB 3.99Å; D98-L102 PolarHBondContact O-N 3.47Å; Q99-L102 PolarHBondContact O-N 3.5Å; G100-L102 VanDerWaalsContact C-N 3.31Å; G100-L102 PolarHBondContact O-N 3.27Å; L102-L105 WeakPolarHBondContact O-CB 3.32Å; L102-L105 PolarHBondContact O-N 2.86Å; L102-I106 HydrophobicContact CG-CD1 4.4Å; L102-I106 WeakPolarHBondContact O-CG1 3.24Å; L102-I106 PolarHBondContact O-N 2.87Å; L102-A121 HydrophobicContact CD1-CB 4.15Å; L102-T124 HydrophobicContact CD2-CG2 4.01Å; L102-V125 HydrophobicContact CD2-CG2 3.67Å; L102-V125 HydrophobicContact CG-CG2 4.15Å; L102-M128 HydrophobicContact CD2-CE 3.78Å; L102-M128 HydrophobicContact CD2-SD 4.27Å
103F96.3Very high96Very high82 Ų8253.3 Ų53.336%0.3627%0.27SS..Hα-helixtrans-68.2-40176.9-68.3-43.9000112.5Q99 G100 L105 I106 L107 V125 F141Q99-F103 HydrophobicContact CB-CD2 4.49Å; Q99-F103 HydrophobicContact CB-CE2 4.18Å; Q99-F103 WeakPolarHBondContact O-CD2 3.4Å; Q99-F103 WeakPolarHBondContact O-CG 3.35Å; Q99-F103 PolarHBondContact O-N 2.88Å; G100-F103 PolarHBondContact O-N 2.73Å; F103-L105 VanDerWaalsContact C-N 3.29Å; F103-L105 PolarHBondContact O-N 3.37Å; F103-I106 HydrophobicContact CD1-CD1 4.21Å; F103-I106 WeakPolarHBondContact O-CB 3.3Å; F103-I106 PolarHBondContact O-N 2.67Å; F103-L107 WeakPolarHBondContact O-CG 3.37Å; F103-L107 PolarHBondContact O-N 3.3Å; F103-V125 HydrophobicContact CE1-CG2 4.18Å; F103-F141 HydrophobicContact CE2-CD1 4.4Å; F103-F141 AromaticContact CZ-CD1 3.74Å; F103-F141 HydrophobicContact CZ-CD1 3.74Å; F103-F141 AromaticContact CZ-CE1 3.78Å; F103-F141 HydrophobicContact CZ-CE1 3.78Å
104E97.2Very high96Very high86 Ų8647.9 Ų47.940%0.40224%0.244SC..Hα-helixtrans-63.1-37174.1-70.4-172.1169.700111.8N53 I56 G100 T101 L107 A108N53-E104 PolarHBondContact ND2-OE2 3.38Å; N53-E104 VanDerWaalsContact ND2-OE2 3.09Å; I56-E104 HydrophobicContact CD1-CB 3.51Å; I56-E104 HydrophobicContact CD1-CG 4.48Å; I56-E104 VanDerWaalsContact CD1-OE2 3.29Å; I56-E104 WeakPolarHBondContact CD1-OE2 3.36Å; I56-E104 HydrophobicContact CG1-CB 3.7Å; I56-E104 WeakPolarHBondContact CG1-OE2 3.43Å; I56-E104 HydrophobicContact CG2-CB 4.5Å; G100-E104 WeakPolarHBondContact O-CG 3.31Å; G100-E104 PolarHBondContact O-N 3.5Å; T101-E104 PolarHBondContact O-N 2.78Å; E104-L107 PolarHBondContact O-N 3.05Å; E104-A108 WeakPolarHBondContact O-CB 3.33Å; E104-A108 PolarHBondContact O-N 3.44Å
105L97.7Very high95.8Very high0 Ų053.1 Ų53.10%027%0.267CS..Hα-helixtrans-62.5-42.2172-77.8168.9000112.3I56 K59 V60 L95 V97 T101 L102 F103 A108 A109I56-L105 HydrophobicContact CD1-CG 4.44Å; I56-L105 HydrophobicContact CG2-CD2 4.07Å; K59-L105 HydrophobicContact CB-CD2 3.79Å; K59-L105 HydrophobicContact CD-CD1 4.3Å; V60-L105 HydrophobicContact CG2-CD2 4.07Å; L95-L105 HydrophobicContact CD2-CD1 4.24Å; V97-L105 HydrophobicContact CG2-CD1 4.38Å; T101-L105 HydrophobicContact CG2-CD1 4.26Å; T101-L105 WeakPolarHBondContact O-CB 3.43Å; T101-L105 WeakPolarHBondContact O-CG 3.44Å; T101-L105 PolarHBondContact O-N 3.34Å; L102-L105 WeakPolarHBondContact O-CB 3.32Å; L102-L105 PolarHBondContact O-N 2.86Å; F103-L105 VanDerWaalsContact C-N 3.29Å; F103-L105 PolarHBondContact O-N 3.37Å; L105-A108 PolarHBondContact O-N 3.42Å; L105-A109 WeakPolarHBondContact O-CB 3.26Å; L105-A109 PolarHBondContact O-N 3.2Å
106I97.6Very high95.6Very high31 Ų3153.4 Ų53.416%0.15927%0.271CS..Hα-helixtrans-61.6-45.8175.8-70.9166.6000110.5L102 F103 A109 N110 L118 A121 V125L102-I106 HydrophobicContact CG-CD1 4.4Å; L102-I106 WeakPolarHBondContact O-CG1 3.24Å; L102-I106 PolarHBondContact O-N 2.87Å; F103-I106 HydrophobicContact CD1-CD1 4.21Å; F103-I106 WeakPolarHBondContact O-CB 3.3Å; F103-I106 PolarHBondContact O-N 2.67Å; I106-A109 PolarHBondContact O-N 3.13Å; I106-N110 WeakPolarHBondContact O-CB 3.34Å; I106-N110 PolarHBondContact O-N 2.95Å; I106-L118 HydrophobicContact CG2-CD1 3.85Å; I106-A121 HydrophobicContact CD1-CB 4.21Å; I106-A121 HydrophobicContact CG1-CB 3.52Å; I106-V125 HydrophobicContact CD1-CG2 3.66Å
107L97.3Very high95.6Very high120 Ų12046.5 Ų46.563%0.62824%0.241SC*.Hα-helixtrans-63.5-43.6178.2-69.5174.1000111.7F103 E104 N110 Y111F103-L107 WeakPolarHBondContact O-CG 3.37Å; F103-L107 PolarHBondContact O-N 3.3Å; E104-L107 PolarHBondContact O-N 3.05Å; L107-N110 PolarHBondContact O-N 3.44Å; L107-Y111 VanDerWaalsContact O-CB 3.29Å; L107-Y111 WeakPolarHBondContact O-CB 3.33Å; L107-Y111 PolarHBondContact O-N 3.4Å
108A97.5Very high95.6Very high3 Ų346.9 Ų46.93%0.02524%0.241CC..Hα-helixtrans-65.2-43.8176.800000111.9V52 I56 V60 E104 L105 N110 Y111 L112V52-A108 HydrophobicContact CG1-CB 3.94Å; V52-A108 HydrophobicContact CG2-CB 3.93Å; I56-A108 HydrophobicContact CG2-CB 3.64Å; V60-A108 HydrophobicContact CG2-CB 4.07Å; E104-A108 WeakPolarHBondContact O-CB 3.33Å; E104-A108 PolarHBondContact O-N 3.44Å; L105-A108 PolarHBondContact O-N 3.42Å; A108-N110 VanDerWaalsContact C-N 3.33Å; A108-N110 PolarHBondContact O-N 3.36Å; A108-Y111 PolarHBondContact O-N 2.98Å; A108-L112 WeakPolarHBondContact O-CB 3.33Å; A108-L112 WeakPolarHBondContact O-CG 3.45Å; A108-L112 PolarHBondContact O-N 3.27Å
109A96.7Very high95.5Very high0 Ų045.1 Ų45.10%023%0.23CC..Hα-helixtrans-62.8-40.3177.100000111.8L105 I106 D113 I114 L117 L118L105-A109 WeakPolarHBondContact O-CB 3.26Å; L105-A109 PolarHBondContact O-N 3.2Å; I106-A109 PolarHBondContact O-N 3.13Å; A109-D113 WeakPolarHBondContact O-CA 3.28Å; A109-D113 PolarHBondContact O-N 3.43Å; A109-I114 PolarHBondContact O-N 2.55Å; A109-L117 HydrophobicContact CB-CB 4.07Å; A109-L117 HydrophobicContact CB-CD2 3.86Å; A109-L117 HydrophobicContact CB-CG 3.76Å; A109-L118 HydrophobicContact CB-CB 4.04Å
110N96.8Very high95.6Very high105 Ų10542 Ų4256%0.56122%0.216SC*.Hα-helixtrans-67.4-44.1174.1-18076.1000112.1I106 L107 A108 L112 D113 L118I106-N110 WeakPolarHBondContact O-CB 3.34Å; I106-N110 PolarHBondContact O-N 2.95Å; L107-N110 PolarHBondContact O-N 3.44Å; A108-N110 VanDerWaalsContact C-N 3.33Å; A108-N110 PolarHBondContact O-N 3.36Å; N110-L112 PolarHBondContact O-N 3.3Å; N110-D113 PolarHBondContact O-N 2.99Å; N110-L118 HydrophobicContact CB-CD1 4.33Å; N110-L118 HydrophobicContact CB-CD2 4.43Å
111Y96.6Very high95.7Very high81 Ų8140.2 Ų40.232%0.31820%0.198SC..Hα-helixtrans-62-41.6178.1172-109.1000112.7T27 L49 N51 V52 L107 A108 D113T27-Y111 PolarHBondContact OG1-O 2.79Å; L49-Y111 HydrophobicContact CD2-CE1 4.44Å; N51-Y111 HydrophobicContact CB-CD1 4.12Å; N51-Y111 HydrophobicContact CB-CD2 4.16Å; N51-Y111 HydrophobicContact CB-CE1 4.14Å; N51-Y111 HydrophobicContact CB-CE2 4.17Å; N51-Y111 HydrophobicContact CB-CG 4.14Å; N51-Y111 WeakPolarHBondContact ND2-CD2 3.45Å; N51-Y111 WeakPolarHBondContact ND2-CE2 3.37Å; V52-Y111 HydrophobicContact CG2-CD1 3.8Å; V52-Y111 HydrophobicContact CG2-CE1 4.26Å; L107-Y111 VanDerWaalsContact O-CB 3.29Å; L107-Y111 WeakPolarHBondContact O-CB 3.33Å; L107-Y111 PolarHBondContact O-N 3.4Å; A108-Y111 PolarHBondContact O-N 2.98Å; Y111-D113 VanDerWaalsContact C-N 3.3Å
112L95.7Very high95.6Very high4 Ų442 Ų422%0.02121%0.21CC..THydrogen-bonded Turntrans-84.9-2.6177.8-63.4174000112.9S25 T27 I28 L49 V60 A108 N110 I114S25-L112 WeakPolarHBondContact CA-O 3.23Å; S25-L112 VanDerWaalsContact CB-O 3.24Å; S25-L112 WeakPolarHBondContact CB-O 3.46Å; S25-L112 PolarHBondContact OG-O 3.2Å; T27-L112 PolarHBondContact OG1-O 3.01Å; I28-L112 HydrophobicContact CD1-CD2 4.3Å; L49-L112 HydrophobicContact CD1-CD2 4.15Å; L49-L112 HydrophobicContact CD2-CD2 3.78Å; V60-L112 HydrophobicContact CG1-CD1 3.97Å; A108-L112 WeakPolarHBondContact O-CB 3.33Å; A108-L112 WeakPolarHBondContact O-CG 3.45Å; A108-L112 PolarHBondContact O-N 3.27Å; N110-L112 PolarHBondContact O-N 3.3Å; L112-I114 HydrophobicContact CB-CD1 3.79Å; L112-I114 HydrophobicContact CB-CG1 3.83Å; L112-I114 HydrophobicContact CD1-CD1 3.98Å; L112-I114 PolarHBondContact O-N 3.43Å
113D95.6Very high95.4Very high58 Ų5843.3 Ų43.331%0.3122%0.216SC..THydrogen-bonded Turntrans47.257-173.2-170.616.7000112.7N26 A109 N110 Y111N26-D113 HydrophobicContact CB-CB 4Å; N26-D113 WeakPolarHBondContact CB-OD2 3.41Å; N26-D113 PolarHBondContact N-O 3.28Å; N26-D113 PolarHBondContact ND2-O 3.48Å; N26-D113 PolarHBondContact ND2-OD1 2.87Å; N26-D113 PolarHBondContact ND2-OD2 3.29Å; A109-D113 WeakPolarHBondContact O-CA 3.28Å; A109-D113 PolarHBondContact O-N 3.43Å; N110-D113 PolarHBondContact O-N 2.99Å; Y111-D113 VanDerWaalsContact C-N 3.3Å
114I95.3Very high95.3Very high4 Ų440.2 Ų40.22%0.02120%0.204CC..  trans-100.886.3173.6-55169.8000107.7V60 W63 A109 L112 G116 L117 L118V60-I114 HydrophobicContact CG1-CD1 3.44Å; V60-I114 VanDerWaalsContact CG1-CD1 3.44Å; W63-I114 HydrophobicContact CE3-CG2 4.13Å; W63-I114 HydrophobicContact CZ3-CG2 3.71Å; A109-I114 PolarHBondContact O-N 2.55Å; L112-I114 HydrophobicContact CB-CD1 3.79Å; L112-I114 HydrophobicContact CB-CG1 3.83Å; L112-I114 HydrophobicContact CD1-CD1 3.98Å; L112-I114 PolarHBondContact O-N 3.43Å; I114-G116 VanDerWaalsContact C-N 3.34Å; I114-G116 PolarHBondContact O-N 2.85Å; I114-L117 HydrophobicContact CB-CB 4.29Å; I114-L117 HydrophobicContact CG2-CB 3.7Å; I114-L117 PolarHBondContact O-N 2.87Å; I114-L118 WeakPolarHBondContact O-CB 3.28Å; I114-L118 PolarHBondContact O-N 3.36Å
115K92.1Very high95.1Very high124 Ų12437.1 Ų37.154%0.53919%0.191SC..Hα-helixtrans-55.2-44.6-172.3-65.9-177.8178.9177.50113.7L118 E119K115-L118 PolarHBondContact O-N 3.43Å; K115-E119 WeakPolarHBondContact O-CB 3.32Å; K115-E119 PolarHBondContact O-N 2.77Å
116G91.8Very high94.9Very high9 Ų939.1 Ų39.19%0.09321%0.207CC..Hα-helixtrans-63.7-48.4-177.300000112.8M73 I114 L118 E119 V120M73-G116 VanDerWaalsContact CE-CA 3.43Å; M73-G116 WeakPolarHBondContact SD-CA 3.44Å; I114-G116 VanDerWaalsContact C-N 3.34Å; I114-G116 PolarHBondContact O-N 2.85Å; G116-L118 VanDerWaalsContact C-N 3.33Å; G116-L118 PolarHBondContact O-N 3.22Å; G116-E119 PolarHBondContact O-N 2.88Å; G116-V120 WeakPolarHBondContact O-CG2 3.12Å; G116-V120 PolarHBondContact O-N 3.49Å
117L94.7Very high94.6Very high0 Ų040.6 Ų40.60%022%0.215CC..Hα-helixtrans-61.1-43.2175.6178.756.3000111.5V60 W63 F94 L95 A109 I114 E119 V120 A121V60-L117 HydrophobicContact CG1-CD2 4.4Å; V60-L117 HydrophobicContact CG2-CD2 4.07Å; W63-L117 HydrophobicContact CB-CD1 4.4Å; W63-L117 HydrophobicContact CD2-CB 3.82Å; W63-L117 HydrophobicContact CD2-CD1 3.99Å; W63-L117 HydrophobicContact CD2-CG 4.31Å; W63-L117 HydrophobicContact CE3-CB 3.81Å; W63-L117 HydrophobicContact CG-CB 4.46Å; W63-L117 HydrophobicContact CG-CD1 3.77Å; W63-L117 HydrophobicContact CG-CG 4.46Å; W63-L117 HydrophobicContact CH2-CB 4.24Å; W63-L117 VanDerWaalsContact CH2-N 3.29Å; W63-L117 HydrophobicContact CZ2-CB 4.22Å; W63-L117 HydrophobicContact CZ3-CB 4.01Å; F94-L117 HydrophobicContact CE1-CD1 4.13Å; L95-L117 HydrophobicContact CD2-CD1 4.46Å; A109-L117 HydrophobicContact CB-CB 4.07Å; A109-L117 HydrophobicContact CB-CD2 3.86Å; A109-L117 HydrophobicContact CB-CG 3.76Å; I114-L117 HydrophobicContact CB-CB 4.29Å; I114-L117 HydrophobicContact CG2-CB 3.7Å; I114-L117 PolarHBondContact O-N 2.87Å; L117-E119 VanDerWaalsContact C-N 3.33Å; L117-E119 PolarHBondContact O-N 3.05Å; L117-V120 HydrophobicContact CD1-CG2 4.4Å; L117-V120 WeakPolarHBondContact O-CG2 3.45Å; L117-A121 WeakPolarHBondContact O-CB 3.23Å; L117-A121 PolarHBondContact O-N 3.41Å
118L95.6Very high94.3Very high44 Ų4437.5 Ų37.523%0.2320%0.198CC..Hα-helixtrans-60.1-44.8177.2-179.260.2000111I106 A109 N110 I114 K115 G116 C122I106-L118 HydrophobicContact CG2-CD1 3.85Å; A109-L118 HydrophobicContact CB-CB 4.04Å; N110-L118 HydrophobicContact CB-CD1 4.33Å; N110-L118 HydrophobicContact CB-CD2 4.43Å; I114-L118 WeakPolarHBondContact O-CB 3.28Å; I114-L118 PolarHBondContact O-N 3.36Å; K115-L118 PolarHBondContact O-N 3.43Å; G116-L118 VanDerWaalsContact C-N 3.33Å; G116-L118 PolarHBondContact O-N 3.22Å; L118-C122 VanDerWaalsContact O-CB 3.3Å; L118-C122 WeakPolarHBondContact O-CB 3.32Å; L118-C122 PolarHBondContact O-N 2.97Å; L118-C122 PolarHBondContact O-SG 2.52Å
119E93.1Very high94Very high63 Ų6340.6 Ų40.629%0.29421%0.214SC..Hα-helixtrans-62.8-52.3179.2-171.6-175161.700111.9K115 G116 L117 A121 C122 K123K115-E119 WeakPolarHBondContact O-CB 3.32Å; K115-E119 PolarHBondContact O-N 2.77Å; G116-E119 PolarHBondContact O-N 2.88Å; L117-E119 VanDerWaalsContact C-N 3.33Å; L117-E119 PolarHBondContact O-N 3.05Å; E119-A121 VanDerWaalsContact C-N 3.32Å; E119-A121 PolarHBondContact O-N 3.48Å; E119-C122 PolarHBondContact O-N 3.19Å; E119-K123 HydrophobicContact CG-CD 4.37Å; E119-K123 WeakPolarHBondContact O-CG 3.5Å; E119-K123 PolarHBondContact O-N 3.34Å; E119-K123 WeakPolarHBondContact OE1-CE 3.12Å; E119-K123 IonicContact OE1-NZ 3.24Å; E119-K123 PolarHBondContact OE1-NZ 3.4Å
120V93.8Very high93.7Very high7 Ų747.4 Ų47.44%0.04224%0.243CC..Hα-helixtrans-66.1-35.2-178.2-65.30000112.2W63 L95 G116 L117 K123 T124W63-V120 HydrophobicContact CZ2-CG2 4.37Å; L95-V120 HydrophobicContact CD1-CB 4.02Å; L95-V120 HydrophobicContact CD1-CG2 3.88Å; L95-V120 WeakPolarHBondContact CD1-O 3.31Å; G116-V120 WeakPolarHBondContact O-CG2 3.12Å; G116-V120 PolarHBondContact O-N 3.49Å; L117-V120 HydrophobicContact CD1-CG2 4.4Å; L117-V120 WeakPolarHBondContact O-CG2 3.45Å; V120-K123 PolarHBondContact O-N 2.92Å; V120-T124 WeakPolarHBondContact O-CB 3.46Å; V120-T124 PolarHBondContact O-N 3.26Å; V120-T124 PolarHBondContact O-OG1 3.27Å
121A95.3Very high93.3Very high0 Ų046.4 Ų46.40%026%0.258CS..Hα-helixtrans-67.7-42.8174.600000111.7L95 L102 I106 L117 E119 T124 V125L95-A121 HydrophobicContact CD2-CB 4.27Å; L102-A121 HydrophobicContact CD1-CB 4.15Å; I106-A121 HydrophobicContact CD1-CB 4.21Å; I106-A121 HydrophobicContact CG1-CB 3.52Å; L117-A121 WeakPolarHBondContact O-CB 3.23Å; L117-A121 PolarHBondContact O-N 3.41Å; E119-A121 VanDerWaalsContact C-N 3.32Å; E119-A121 PolarHBondContact O-N 3.48Å; A121-T124 WeakPolarHBondContact O-CB 3.38Å; A121-T124 PolarHBondContact O-N 2.92Å; A121-V125 PolarHBondContact O-N 3.25Å
122C94.1Very high93.1Very high59 Ų5946 Ų4640%0.39926%0.258SS..Hα-helixtrans-63.8-42174.1-69.90000112.1L118 E119 T124 V125 A126L118-C122 VanDerWaalsContact O-CB 3.3Å; L118-C122 WeakPolarHBondContact O-CB 3.32Å; L118-C122 PolarHBondContact O-N 2.97Å; L118-C122 PolarHBondContact O-SG 2.52Å; E119-C122 PolarHBondContact O-N 3.19Å; C122-T124 VanDerWaalsContact C-N 3.26Å; C122-T124 PolarHBondContact O-N 2.88Å; C122-V125 PolarHBondContact O-N 3.08Å; C122-A126 WeakPolarHBondContact O-CB 3.34Å; C122-A126 PolarHBondContact O-N 3.13Å
123K93.3Very high92.8Very high29 Ų2948.8 Ų48.813%0.12628%0.275CS..Hα-helixtrans-59.9-39174.2-74.8179.5-179.7170.60111.5I87 E119 V120 A126 N127I87-K123 HydrophobicContact CD1-CB 3.8Å; I87-K123 HydrophobicContact CG1-CB 3.99Å; I87-K123 HydrophobicContact CG1-CD 4.32Å; E119-K123 HydrophobicContact CG-CD 4.37Å; E119-K123 WeakPolarHBondContact O-CG 3.5Å; E119-K123 PolarHBondContact O-N 3.34Å; E119-K123 WeakPolarHBondContact OE1-CE 3.12Å; E119-K123 IonicContact OE1-NZ 3.24Å; E119-K123 PolarHBondContact OE1-NZ 3.4Å; V120-K123 PolarHBondContact O-N 2.92Å; K123-A126 PolarHBondContact O-N 3Å; K123-N127 PolarHBondContact O-N 3.17Å; K123-N127 PolarHBondContact O-ND2 3.43Å
124T93.6Very high92.4Very high18 Ų1849.9 Ų49.911%0.1129%0.285CS..Hα-helixtrans-62.7-45.9176.2-60.90000111.2I87 L95 L102 V120 A121 C122 A126 N127 M128I87-T124 WeakPolarHBondContact CD1-OG1 3.36Å; L95-T124 HydrophobicContact CB-CG2 4.26Å; L95-T124 WeakPolarHBondContact CD1-OG1 3.34Å; L102-T124 HydrophobicContact CD2-CG2 4.01Å; V120-T124 WeakPolarHBondContact O-CB 3.46Å; V120-T124 PolarHBondContact O-N 3.26Å; V120-T124 PolarHBondContact O-OG1 3.27Å; A121-T124 WeakPolarHBondContact O-CB 3.38Å; A121-T124 PolarHBondContact O-N 2.92Å; C122-T124 VanDerWaalsContact C-N 3.26Å; C122-T124 PolarHBondContact O-N 2.88Å; T124-A126 PolarHBondContact O-N 3.2Å; T124-N127 PolarHBondContact O-N 3.04Å; T124-M128 HydrophobicContact CG2-CE 4.11Å; T124-M128 WeakPolarHBondContact O-CG 3.45Å; T124-M128 PolarHBondContact O-N 3.3Å; T124-M128 VanDerWaalsContact O-N 3.15Å
125V93.6Very high92.2Very high21 Ų2153.6 Ų53.613%0.12730%0.303CS..Hα-helixtrans-62.8-42.1174175.90000111.3L102 F103 I106 A121 C122 N127 M128 I129 F141L102-V125 HydrophobicContact CD2-CG2 3.67Å; L102-V125 HydrophobicContact CG-CG2 4.15Å; F103-V125 HydrophobicContact CE1-CG2 4.18Å; I106-V125 HydrophobicContact CD1-CG2 3.66Å; A121-V125 PolarHBondContact O-N 3.25Å; C122-V125 PolarHBondContact O-N 3.08Å; V125-N127 VanDerWaalsContact C-N 3.31Å; V125-N127 PolarHBondContact O-N 3.28Å; V125-M128 WeakPolarHBondContact O-CA 3.31Å; V125-M128 WeakPolarHBondContact O-CB 3.38Å; V125-M128 PolarHBondContact O-N 3.31Å; V125-I129 HydrophobicContact CG1-CD1 4.1Å; V125-I129 PolarHBondContact O-N 3.24Å; V125-F141 HydrophobicContact CG1-CE1 4.29Å; V125-F141 HydrophobicContact CG1-CZ 4.22Å
126A92.3Very high92.1Very high42 Ų4251.9 Ų51.935%0.34730%0.297SS..Hα-helixtrans-60.4-40.1176.800000112C122 K123 T124 M128 I129 K130C122-A126 WeakPolarHBondContact O-CB 3.34Å; C122-A126 PolarHBondContact O-N 3.13Å; K123-A126 PolarHBondContact O-N 3Å; T124-A126 PolarHBondContact O-N 3.2Å; A126-M128 VanDerWaalsContact C-N 3.27Å; A126-M128 PolarHBondContact O-N 3.39Å; A126-I129 PolarHBondContact O-N 3.42Å; A126-K130 PolarHBondContact O-N 3.28Å
127N91Very high92.2Very high62 Ų6253.3 Ų53.333%0.33230%0.302SS..Hα-helixtrans-65-29173.7-74.8-28.6000112.9S84 K123 T124 V125 I129S84-N127 WeakPolarHBondContact CB-OD1 3.36Å; S84-N127 PolarHBondContact O-ND2 2.99Å; S84-N127 PolarHBondContact O-OD1 2.91Å; S84-N127 PolarHBondContact OG-OD1 3.3Å; K123-N127 PolarHBondContact O-N 3.17Å; K123-N127 PolarHBondContact O-ND2 3.43Å; T124-N127 PolarHBondContact O-N 3.04Å; V125-N127 VanDerWaalsContact C-N 3.31Å; V125-N127 PolarHBondContact O-N 3.28Å; N127-I129 VanDerWaalsContact C-N 3.27Å; N127-I129 PolarHBondContact O-N 3.39Å
128M91.1Very high92.1Very high54 Ų5455.3 Ų55.327%0.26631%0.309SS..Hα-helixtrans-72.6-20172.6-64.5179.618000113.2L102 T124 V125 A126 K132 F141L102-M128 HydrophobicContact CD2-CE 3.78Å; L102-M128 HydrophobicContact CD2-SD 4.27Å; T124-M128 HydrophobicContact CG2-CE 4.11Å; T124-M128 WeakPolarHBondContact O-CG 3.45Å; T124-M128 PolarHBondContact O-N 3.3Å; T124-M128 VanDerWaalsContact O-N 3.15Å; V125-M128 WeakPolarHBondContact O-CA 3.31Å; V125-M128 WeakPolarHBondContact O-CB 3.38Å; V125-M128 PolarHBondContact O-N 3.31Å; A126-M128 VanDerWaalsContact C-N 3.27Å; A126-M128 PolarHBondContact O-N 3.39Å; M128-K132 WeakPolarHBondContact O-CD 3.43Å; M128-K132 WeakPolarHBondContact O-CE 3.34Å; M128-K132 PolarHBondContact O-NZ 3.02Å; M128-F141 HydrophobicContact CB-CZ 4.3Å
129I91.8Very high91.9Very high69 Ų6962.6 Ų62.635%0.35433%0.334SS..Hα-helixtrans-92.1-36.2178.8-67.2165.2000110.8V125 A126 N127 G131 K132 I137 F141V125-I129 HydrophobicContact CG1-CD1 4.1Å; V125-I129 PolarHBondContact O-N 3.24Å; A126-I129 PolarHBondContact O-N 3.42Å; N127-I129 VanDerWaalsContact C-N 3.27Å; N127-I129 PolarHBondContact O-N 3.39Å; I129-G131 PolarHBondContact O-N 3.46Å; I129-K132 WeakPolarHBondContact O-CB 3.5Å; I129-K132 PolarHBondContact O-N 3.04Å; I129-K132 VanDerWaalsContact O-N 3.13Å; I129-I137 HydrophobicContact CG2-CD1 3.77Å; I129-I137 HydrophobicContact CG2-CG1 4.34Å; I129-F141 HydrophobicContact CD1-CE2 4.28Å; I129-F141 HydrophobicContact CD1-CZ 4.29Å; I129-F141 HydrophobicContact CG1-CE2 3.59Å; I129-F141 HydrophobicContact CG1-CZ 3.81Å
130K89.7Confident91.7Very high142 Ų14261.5 Ų61.562%0.61733%0.331SS*.THydrogen-bonded Turntrans-53.3126.8-175.4-171175.9-177.5176.50111.7A126 K132A126-K130 PolarHBondContact O-N 3.28Å; K130-K132 VanDerWaalsContact C-N 3.27Å; K130-K132 PolarHBondContact O-N 2.68Å
131G88.8Confident91.6Very high84 Ų8463 Ų6387%0.86634%0.337SS*.THydrogen-bonded Turntrans76.54.6175.900000115.5I129I129-G131 PolarHBondContact O-N 3.46Å
132K91.8Very high91.3Very high73 Ų7370.2 Ų70.232%0.31738%0.376SS..  trans-92.5149.2175.4-67.8-170.1-179.7166.10112.1M128 I129 K130 E136 I137 T140M128-K132 WeakPolarHBondContact O-CD 3.43Å; M128-K132 WeakPolarHBondContact O-CE 3.34Å; M128-K132 PolarHBondContact O-NZ 3.02Å; I129-K132 WeakPolarHBondContact O-CB 3.5Å; I129-K132 PolarHBondContact O-N 3.04Å; I129-K132 VanDerWaalsContact O-N 3.13Å; K130-K132 VanDerWaalsContact C-N 3.27Å; K130-K132 PolarHBondContact O-N 2.68Å; K132-E136 VanDerWaalsContact CA-OE2 3.3Å; K132-E136 WeakPolarHBondContact CA-OE2 3.32Å; K132-E136 HydrophobicContact CB-CB 4.03Å; K132-E136 HydrophobicContact CD-CB 4.36Å; K132-E136 HydrophobicContact CG-CB 4.46Å; K132-I137 HydrophobicContact CB-CD1 4.33Å; K132-I137 HydrophobicContact CB-CG1 3.75Å; K132-T140 PolarHBondContact NZ-OG1 3.41Å
133T90.5Very high91.2Very high62 Ų6271.7 Ų71.738%0.3838%0.379SS..  trans-73.2159.3171.385.40000111.1E135 E136 I137T133-E135 VanDerWaalsContact CB-OE2 3.31Å; T133-E135 WeakPolarHBondContact CB-OE2 3.5Å; T133-E135 PolarHBondContact O-N 2.79Å; T133-E135 PolarHBondContact OG1-N 3.05Å; T133-E135 PolarHBondContact OG1-OE2 2.9Å; T133-E136 PolarHBondContact N-OE2 3.07Å; T133-E136 PolarHBondContact O-N 3.34Å; T133-E136 PolarHBondContact OG1-N 3.07Å; T133-I137 WeakPolarHBondContact O-CG1 3.32Å; T133-I137 PolarHBondContact O-N 3.4Å
134P87.9Confident91Very high82 Ų8280.3 Ų80.353%0.53241%0.411SS..Hα-helixtrans-52-38173.6-27.936.5000113.4I137 R138P134-I137 PolarHBondContact O-N 3.41Å; P134-R138 WeakPolarHBondContact O-CB 3.45Å; P134-R138 WeakPolarHBondContact O-CG 3.41Å; P134-R138 PolarHBondContact O-N 2.68Å
135E89.7Confident90.8Very high82 Ų8282.9 Ų82.938%0.38342%0.424SS..Hα-helixtrans-69.7-36.5178.7-57.768.2-144.300112.2T133 R139T133-E135 VanDerWaalsContact CB-OE2 3.31Å; T133-E135 WeakPolarHBondContact CB-OE2 3.5Å; T133-E135 PolarHBondContact O-N 2.79Å; T133-E135 PolarHBondContact OG1-N 3.05Å; T133-E135 PolarHBondContact OG1-OE2 2.9Å; E135-R139 WeakPolarHBondContact O-CB 3.46Å; E135-R139 WeakPolarHBondContact O-CG 3.44Å; E135-R139 PolarHBondContact O-N 3.37Å; E135-R139 PolarHBondContact O-NE 3.13Å
136E91.7Very high90.6Very high88 Ų8887.5 Ų87.541%0.41145%0.448SS..Hα-helixtrans-70.7-40.3175.8-69.9179.3143.500111.6K132 T133 R139 T140K132-E136 VanDerWaalsContact CA-OE2 3.3Å; K132-E136 WeakPolarHBondContact CA-OE2 3.32Å; K132-E136 HydrophobicContact CB-CB 4.03Å; K132-E136 HydrophobicContact CD-CB 4.36Å; K132-E136 HydrophobicContact CG-CB 4.46Å; T133-E136 PolarHBondContact N-OE2 3.07Å; T133-E136 PolarHBondContact O-N 3.34Å; T133-E136 PolarHBondContact OG1-N 3.07Å; E136-R139 PolarHBondContact O-N 3.41Å; E136-T140 VanDerWaalsContact O-CB 3.29Å; E136-T140 WeakPolarHBondContact O-CB 3.28Å; E136-T140 PolarHBondContact O-N 2.82Å; E136-T140 PolarHBondContact O-OG1 3.35Å
137I93.1Very high90.4Very high39 Ų3989.4 Ų89.420%0.245%0.448CS..Hα-helixtrans-61.2-49.1173-66.2165.4000109.1I129 K132 T133 P134 R139 T140 F141I129-I137 HydrophobicContact CG2-CD1 3.77Å; I129-I137 HydrophobicContact CG2-CG1 4.34Å; K132-I137 HydrophobicContact CB-CD1 4.33Å; K132-I137 HydrophobicContact CB-CG1 3.75Å; T133-I137 WeakPolarHBondContact O-CG1 3.32Å; T133-I137 PolarHBondContact O-N 3.4Å; P134-I137 PolarHBondContact O-N 3.41Å; I137-R139 VanDerWaalsContact C-N 3.31Å; I137-R139 PolarHBondContact O-N 3.33Å; I137-T140 PolarHBondContact O-N 3.25Å; I137-T140 VanDerWaalsContact O-N 3.1Å; I137-F141 HydrophobicContact CG2-CD2 3.66Å; I137-F141 HydrophobicContact CG2-CE2 4.06Å; I137-F141 VanDerWaalsContact O-CD2 3.31Å; I137-F141 WeakPolarHBondContact O-CD2 3.28Å; I137-F141 PolarHBondContact O-N 3.16Å
138R91.8Very high90.4Very high42 Ų4289.4 Ų89.416%0.15845%0.45CS..Hα-helixtrans-56.5-44.4177.3-78.5171.3169.7-167.4-16.1112.6P134 N142 I143 N145P134-R138 WeakPolarHBondContact O-CB 3.45Å; P134-R138 WeakPolarHBondContact O-CG 3.41Å; P134-R138 PolarHBondContact O-N 2.68Å; R138-N142 CarbonylContact O-C 3.56Å; R138-N142 WeakPolarHBondContact O-CA 3.41Å; R138-N142 PolarHBondContact O-N 2.88Å; R138-I143 HydrophobicContact CB-CB 4.47Å; R138-I143 WeakPolarHBondContact CB-O 3.41Å; R138-I143 HydrophobicContact CG-CB 4.15Å; R138-I143 HydrophobicContact CG-CG2 4.35Å; R138-I143 PolarHBondContact O-N 2.94Å; R138-N145 VanDerWaalsContact NH1-CB 3.33Å; R138-N145 PolarHBondContact NH1-ND2 2.93Å; R138-N145 PolarHBondContact NH1-OD1 3.16Å; R138-N145 PolarHBondContact NH2-OD1 3.18Å
139R91.2Very high90.3Very high196 Ų19691.4 Ų91.474%0.7447%0.468SS*.Hα-helixtrans-65.5-44.1174.3-76.6-177.6-107.7179.7-6.6112.5E135 E136 I137E135-R139 WeakPolarHBondContact O-CB 3.46Å; E135-R139 WeakPolarHBondContact O-CG 3.44Å; E135-R139 PolarHBondContact O-N 3.37Å; E135-R139 PolarHBondContact O-NE 3.13Å; E136-R139 PolarHBondContact O-N 3.41Å; I137-R139 VanDerWaalsContact C-N 3.31Å; I137-R139 PolarHBondContact O-N 3.33Å
140T89.4Confident90.4Very high40 Ų4094.5 Ų94.525%0.24548%0.481CS..Hα-helixtrans-63-44.1-177.3-600000111.6Q99 K132 E136 I137Q99-T140 PolarHBondContact NE2-O 3.2Å; Q99-T140 PolarHBondContact OE1-O 3.23Å; K132-T140 PolarHBondContact NZ-OG1 3.41Å; E136-T140 VanDerWaalsContact O-CB 3.29Å; E136-T140 WeakPolarHBondContact O-CB 3.28Å; E136-T140 PolarHBondContact O-N 2.82Å; E136-T140 PolarHBondContact O-OG1 3.35Å; I137-T140 PolarHBondContact O-N 3.25Å; I137-T140 VanDerWaalsContact O-N 3.1Å
141F91.3Very high90.5Very high39 Ų3992 Ų9217%0.17147%0.471CS..THydrogen-bonded Turntrans-99.99.3-175.1-64.9-73.3000113.3F103 V125 M128 I129 I137 I143F103-F141 HydrophobicContact CE2-CD1 4.4Å; F103-F141 AromaticContact CZ-CD1 3.74Å; F103-F141 HydrophobicContact CZ-CD1 3.74Å; F103-F141 AromaticContact CZ-CE1 3.78Å; F103-F141 HydrophobicContact CZ-CE1 3.78Å; V125-F141 HydrophobicContact CG1-CE1 4.29Å; V125-F141 HydrophobicContact CG1-CZ 4.22Å; M128-F141 HydrophobicContact CB-CZ 4.3Å; I129-F141 HydrophobicContact CD1-CE2 4.28Å; I129-F141 HydrophobicContact CD1-CZ 4.29Å; I129-F141 HydrophobicContact CG1-CE2 3.59Å; I129-F141 HydrophobicContact CG1-CZ 3.81Å; I137-F141 HydrophobicContact CG2-CD2 3.66Å; I137-F141 HydrophobicContact CG2-CE2 4.06Å; I137-F141 VanDerWaalsContact O-CD2 3.31Å; I137-F141 WeakPolarHBondContact O-CD2 3.28Å; I137-F141 PolarHBondContact O-N 3.16Å; F141-I143 HydrophobicContact CB-CD1 3.75Å; F141-I143 HydrophobicContact CB-CG1 3.8Å; F141-I143 PolarHBondContact O-N 3.44Å
142N90.1Very high90.5Very high151 Ų15191.3 Ų91.381%0.80745%0.445SS*.THydrogen-bonded Turntrans51.541.6-178-165.944.2000113.3R138R138-N142 CarbonylContact O-C 3.56Å; R138-N142 WeakPolarHBondContact O-CA 3.41Å; R138-N142 PolarHBondContact O-N 2.88Å
143I91.3Very high90.4Very high91 Ų9193.6 Ų93.647%0.46746%0.457SS..  trans-89.4123.6179.1-57169.2000108.5R138 F141R138-I143 HydrophobicContact CB-CB 4.47Å; R138-I143 WeakPolarHBondContact CB-O 3.41Å; R138-I143 HydrophobicContact CG-CB 4.15Å; R138-I143 HydrophobicContact CG-CG2 4.35Å; R138-I143 PolarHBondContact O-N 2.94Å; F141-I143 HydrophobicContact CB-CD1 3.75Å; F141-I143 HydrophobicContact CB-CG1 3.8Å; F141-I143 PolarHBondContact O-N 3.44Å
144R89.2Confident90.4Very high210 Ų21096.1 Ų96.179%0.79247%0.465SS*.  trans-65.9134.8175.7177.9177.1174.8178.6-1.3110.4D146R144-D146 PolarHBondContact O-N 2.98Å
145N89.2Confident90.5Very high72 Ų7295.1 Ų95.139%0.38545%0.454SS..  trans-72.3105.9162.9-173.37.1000108.7R138 F147 E152R138-N145 VanDerWaalsContact NH1-CB 3.33Å; R138-N145 PolarHBondContact NH1-ND2 2.93Å; R138-N145 PolarHBondContact NH1-OD1 3.16Å; R138-N145 PolarHBondContact NH2-OD1 3.18Å; N145-F147 WeakPolarHBondContact OD1-CB 2.94Å; N145-F147 PolarHBondContact OD1-N 3.43Å; N145-E152 PolarHBondContact ND2-OE2 3.3Å
146D89.7Confident90.4Very high117 Ų11797.9 Ų97.963%0.62646%0.461SS*.  trans-100.4-1.3174.661-21000113.1R144R144-D146 PolarHBondContact O-N 2.98Å
147F87.8Confident90.3Very high83 Ų83101.8 Ų101.836%0.36448%0.477SS..  trans-71136.7173.5-60.4-35.7000110.9N145 E151 E152 I155N145-F147 WeakPolarHBondContact OD1-CB 2.94Å; N145-F147 PolarHBondContact OD1-N 3.43Å; F147-E151 HydrophobicContact CB-CB 4.31Å; F147-E152 HydrophobicContact CB-CB 4.37Å; F147-I155 HydrophobicContact CD1-CD1 4.24Å; F147-I155 HydrophobicContact CD2-CD1 3.97Å; F147-I155 HydrophobicContact CE1-CD1 3.95Å; F147-I155 HydrophobicContact CE2-CD1 3.65Å; F147-I155 HydrophobicContact CG-CD1 4.28Å; F147-I155 HydrophobicContact CZ-CD1 3.65Å
148T91.3Very high90.2Very high61 Ų61105.2 Ų105.237%0.37449%0.492SS..  trans-67.4155.4161.4620000109.9Q150 E151 E152T148-Q150 PolarHBondContact O-N 2.74Å; T148-Q150 VanDerWaalsContact O-N 3.13Å; T148-E151 WeakPolarHBondContact CB-OE2 3.41Å; T148-E151 WeakPolarHBondContact CG2-OE2 3.35Å; T148-E151 PolarHBondContact N-OE2 3.17Å; T148-E151 PolarHBondContact O-N 3.3Å; T148-E151 VanDerWaalsContact O-N 3.11Å; T148-E151 VanDerWaalsContact OG1-CD 3.24Å; T148-E151 VanDerWaalsContact OG1-CG 3.26Å; T148-E151 WeakPolarHBondContact OG1-CG 3.35Å; T148-E151 PolarHBondContact OG1-N 2.81Å; T148-E151 PolarHBondContact OG1-OE2 2.95Å; T148-E152 PolarHBondContact O-N 3.42Å
149P89.8Confident90Very high97 Ų97106.5 Ų106.563%0.6350%0.502SS*.Hα-helixtrans-55.2-31.7175.4-26.535.2000113.4E153P149-E153 WeakPolarHBondContact O-CB 3.29Å; P149-E153 PolarHBondContact O-N 3.06Å
150Q92.4Very high89.6Confident134 Ų13499.6 Ų99.663%0.62648%0.484SS*.Hα-helixtrans-70.3-43.6177.5-66.476.917.500112.2T148 E153 Q154T148-Q150 PolarHBondContact O-N 2.74Å; T148-Q150 VanDerWaalsContact O-N 3.13Å; Q150-E153 PolarHBondContact O-N 2.78Å; Q150-Q154 WeakPolarHBondContact O-CB 3.43Å; Q150-Q154 PolarHBondContact O-N 3.12Å
151E92.1Very high89.5Confident90 Ų90105.6 Ų105.642%0.42150%0.502SS..Hα-helixtrans-65.9-39.9175.8-72162144.800111.2F147 T148 Q154 I155F147-E151 HydrophobicContact CB-CB 4.31Å; T148-E151 WeakPolarHBondContact CB-OE2 3.41Å; T148-E151 WeakPolarHBondContact CG2-OE2 3.35Å; T148-E151 PolarHBondContact N-OE2 3.17Å; T148-E151 PolarHBondContact O-N 3.3Å; T148-E151 VanDerWaalsContact O-N 3.11Å; T148-E151 VanDerWaalsContact OG1-CD 3.24Å; T148-E151 VanDerWaalsContact OG1-CG 3.26Å; T148-E151 WeakPolarHBondContact OG1-CG 3.35Å; T148-E151 PolarHBondContact OG1-N 2.81Å; T148-E151 PolarHBondContact OG1-OE2 2.95Å; E151-Q154 PolarHBondContact O-N 3.15Å; E151-I155 WeakPolarHBondContact O-CB 3.16Å; E151-I155 VanDerWaalsContact O-CG1 3.23Å; E151-I155 WeakPolarHBondContact O-CG1 3.5Å; E151-I155 PolarHBondContact O-N 2.9Å
152E88.4Confident88.9Confident69 Ų69107.6 Ų107.632%0.32252%0.52SS..Hα-helixtrans-62.6-43.9176.5-168.5-179.7142.300111.7N145 F147 T148 I155 R156N145-E152 PolarHBondContact ND2-OE2 3.3Å; F147-E152 HydrophobicContact CB-CB 4.37Å; T148-E152 PolarHBondContact O-N 3.42Å; E152-I155 PolarHBondContact O-N 2.79Å; E152-R156 WeakPolarHBondContact O-CB 3.25Å; E152-R156 PolarHBondContact O-N 3.15Å
153E89.8Confident88Confident121 Ų121108.1 Ų108.157%0.56552%0.517SS*.Hα-helixtrans-64.5-39.7175.2-176.9169.3-14100112.1P149 Q150 R156 K157P149-E153 WeakPolarHBondContact O-CB 3.29Å; P149-E153 PolarHBondContact O-N 3.06Å; Q150-E153 PolarHBondContact O-N 2.78Å; E153-R156 PolarHBondContact O-N 2.87Å; E153-K157 WeakPolarHBondContact O-CB 3.31Å; E153-K157 PolarHBondContact O-N 3.24Å
154Q91.6Very high86.9Confident115 Ų115114.2 Ų114.254%0.53754%0.544SS..Hα-helixtrans-63.2-47.7175.4-177.4175.6-14.700111.5Q150 E151 R156 K157 E158Q150-Q154 WeakPolarHBondContact O-CB 3.43Å; Q150-Q154 PolarHBondContact O-N 3.12Å; E151-Q154 PolarHBondContact O-N 3.15Å; Q154-R156 VanDerWaalsContact C-N 3.31Å; Q154-R156 PolarHBondContact O-N 3.06Å; Q154-K157 PolarHBondContact O-N 2.88Å; Q154-K157 VanDerWaalsContact O-N 3.16Å; Q154-E158 HydrophobicContact CG-CG 4.48Å; Q154-E158 WeakPolarHBondContact CG-OE1 3.37Å; Q154-E158 PolarHBondContact NE2-OE1 2.83Å; Q154-E158 WeakPolarHBondContact O-CG 3.45Å; Q154-E158 PolarHBondContact O-N 2.84Å
155I89.2Confident86.8Confident61 Ų61109.4 Ų109.431%0.31353%0.531SS..Hα-helixtrans-61-41.2178.1-69.2166.1000110.6F147 E151 E152 E158 N159F147-I155 HydrophobicContact CD1-CD1 4.24Å; F147-I155 HydrophobicContact CD2-CD1 3.97Å; F147-I155 HydrophobicContact CE1-CD1 3.95Å; F147-I155 HydrophobicContact CE2-CD1 3.65Å; F147-I155 HydrophobicContact CG-CD1 4.28Å; F147-I155 HydrophobicContact CZ-CD1 3.65Å; E151-I155 WeakPolarHBondContact O-CB 3.16Å; E151-I155 VanDerWaalsContact O-CG1 3.23Å; E151-I155 WeakPolarHBondContact O-CG1 3.5Å; E151-I155 PolarHBondContact O-N 2.9Å; E152-I155 PolarHBondContact O-N 2.79Å; I155-E158 PolarHBondContact O-N 3.27Å; I155-N159 WeakPolarHBondContact CG2-ND2 3.46Å; I155-N159 WeakPolarHBondContact O-CB 3.18Å; I155-N159 PolarHBondContact O-N 2.92Å; I155-N159 PolarHBondContact O-ND2 3.09Å
156R87.1Confident86.7Confident140 Ų140111.4 Ų111.453%0.52854%0.539SS..Hα-helixtrans-64.3-40.1176.3-173.3175.863.4-148.1-3.6111.9E152 E153 Q154 N159 S160E152-R156 WeakPolarHBondContact O-CB 3.25Å; E152-R156 PolarHBondContact O-N 3.15Å; E153-R156 PolarHBondContact O-N 2.87Å; Q154-R156 VanDerWaalsContact C-N 3.31Å; Q154-R156 PolarHBondContact O-N 3.06Å; R156-N159 PolarHBondContact O-N 3.1Å; R156-S160 PolarHBondContact O-N 3Å; R156-S160 VanDerWaalsContact O-N 3.12Å
157K90.4Very high86.5Confident170 Ų170111.1 Ų111.174%0.73953%0.534SS*.Hα-helixtrans-66.8-38.1175.7-173-180178.7-176.60112.1E153 Q154 S160E153-K157 WeakPolarHBondContact O-CB 3.31Å; E153-K157 PolarHBondContact O-N 3.24Å; Q154-K157 PolarHBondContact O-N 2.88Å; Q154-K157 VanDerWaalsContact O-N 3.16Å; K157-S160 PolarHBondContact O-OG 3.3Å
158E91.2Very high86.4Confident110 Ų110112.7 Ų112.751%0.51454%0.544SS..Hα-helixtrans-70.9-30.4177.5-74.1175.8-17100112.7Q154 I155 W161Q154-E158 HydrophobicContact CG-CG 4.48Å; Q154-E158 WeakPolarHBondContact CG-OE1 3.37Å; Q154-E158 PolarHBondContact NE2-OE1 2.83Å; Q154-E158 WeakPolarHBondContact O-CG 3.45Å; Q154-E158 PolarHBondContact O-N 2.84Å; I155-E158 PolarHBondContact O-N 3.27Å; E158-W161 PolarHBondContact O-NE1 2.95Å; E158-W161 VanDerWaalsContact O-NE1 3.16Å
159N86.6Confident86.1Confident69 Ų69115.9 Ų115.937%0.36956%0.555SS.*THydrogen-bonded Turntrans-101.613.2-179-66.8-72.3000114I155 R156 W161 C162I155-N159 WeakPolarHBondContact CG2-ND2 3.46Å; I155-N159 WeakPolarHBondContact O-CB 3.18Å; I155-N159 PolarHBondContact O-N 2.92Å; I155-N159 PolarHBondContact O-ND2 3.09Å; R156-N159 PolarHBondContact O-N 3.1Å; N159-W161 PolarHBondContact O-N 3.16Å; N159-W161 VanDerWaalsContact O-N 3.15Å; N159-C162 WeakPolarHBondContact O-CB 2.88Å; N159-C162 PolarHBondContact O-N 3.4Å
160S84.7Confident85.9Confident51 Ų51117.2 Ų117.236%0.35755%0.55SS..G310 helixtrans-60.8-25.9179.665.70000113R156 K157 C162 E163 E164R156-S160 PolarHBondContact O-N 3Å; R156-S160 VanDerWaalsContact O-N 3.12Å; K157-S160 PolarHBondContact O-OG 3.3Å; S160-C162 PolarHBondContact O-N 2.63Å; S160-E163 PolarHBondContact O-N 2.75Å; S160-E164 PolarHBondContact O-N 2.8Å
161W86.6Confident85.4Confident167 Ų167116 Ų11663%0.63354%0.544SS*.G310 helixtrans-65-16.9175.564.7-91.5000113.9E158 N159 E163E158-W161 PolarHBondContact O-NE1 2.95Å; E158-W161 VanDerWaalsContact O-NE1 3.16Å; N159-W161 PolarHBondContact O-N 3.16Å; N159-W161 VanDerWaalsContact O-N 3.15Å; W161-E163 VanDerWaalsContact C-N 3.3Å
162C78Confident84.9Confident81 Ų81118 Ų11855%0.54755%0.554SS.*G310 helixtrans-78.4-16.8172.3-68.10000112.6N159 S160N159-C162 WeakPolarHBondContact O-CB 2.88Å; N159-C162 PolarHBondContact O-N 3.4Å; S160-C162 PolarHBondContact O-N 2.63Å
163E72.4Confident84.6Confident162 Ų162122.1 Ų122.176%0.75757%0.573SS**THydrogen-bonded Turntrans-98.1-12.6179.9-60.2-177.217200113.1S160 W161S160-E163 PolarHBondContact O-N 2.75Å; W161-E163 VanDerWaalsContact C-N 3.3Å
164E68Low84.2Confident218 Ų218122.2 Ų122.2100%1.01957%0.574SS**  trans-78.80173.5-68.7-178.6-171.900112.4S160S160-E164 PolarHBondContact O-N 2.8Å

Retrieved 164 of 164 residues in 104.8 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).